USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1067 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 30 ASN : amide:sc= 1.14 K(o=2.2,f=1.5) USER MOD Set 1.2: C 261 TYR OH : rot 180:sc= 1.03 USER MOD Set 2.1: A 67 ASN : amide:sc= 0.979 K(o=2.1,f=-3.9) USER MOD Set 2.2: C 254 LYS NZ :NH3+ -144:sc= 1.15 (180deg=0) USER MOD Set 3.1: C 222 ASN : amide:sc= -1.17 K(o=-2.7,f=-16!) USER MOD Set 3.2: C 243 LYS NZ :NH3+ 175:sc= -1.57! (180deg=-2.76!) USER MOD Set 4.1: C 231 THR OG1 : rot -133:sc= 0.184 USER MOD Set 4.2: C 237 GLN : amide:sc= -5.11! C(o=-4.9!,f=-7!) USER MOD Set 5.1: C 216 SER OG : rot 180:sc= 0.021 USER MOD Set 5.2: C 217 HIS : no HD1:sc=-0.00871 X(o=0.012,f=0.017) USER MOD Set 6.1: A 64 LYS NZ :NH3+ -154:sc= 0.711 (180deg=-0.0313) USER MOD Set 6.2: C 230 ASN : amide:sc= -2.09! C(o=-1.4!,f=-5!) USER MOD Set 7.1: A 16 SER OG : rot 160:sc= -0.688 USER MOD Set 7.2: A 17 HIS : no HE2:sc= 0 X(o=-0.69,f=-0.81) USER MOD Single : A 22 ASN : amide:sc= -0.561 X(o=-0.56,f=-0.86) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS :FLIP no HD1:sc= -2.91 F(o=-5.2!,f=-2.9) USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= -2.52! (180deg=-3.15!) USER MOD Single : A 31 THR OG1 : rot 40:sc= -0.951 USER MOD Single : A 33 ASN : amide:sc= -0.0585 X(o=-0.058,f=-0.47) USER MOD Single : A 37 GLN :FLIP amide:sc= -0.939 F(o=-4.8!,f=-0.94) USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= -0.0298 (180deg=-0.207) USER MOD Single : A 48 GLN : amide:sc= -0.704! C(o=-0.7!,f=-3.6!) USER MOD Single : A 54 LYS NZ :NH3+ -179:sc= 0.702 (180deg=0.663) USER MOD Single : A 56 LYS NZ :NH3+ -167:sc= -0.0468 (180deg=-0.253) USER MOD Single : A 59 GLN : amide:sc= -3.24! K(o=-3.2!,f=-4.2) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : B 123 SER OG : rot 21:sc= 0.752 USER MOD Single : B 124 MET CE :methyl -143:sc= -0.222 (180deg=-0.917) USER MOD Single : B 125 LYS NZ :NH3+ -164:sc= 1.26 (180deg=1.11) USER MOD Single : C 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 225 HIS : no HD1:sc= -2.99 X(o=-3,f=-2.8!) USER MOD Single : C 227 LYS NZ :NH3+ 178:sc= -0.503 (180deg=-0.516) USER MOD Single : C 233 ASN : amide:sc= 1.38 K(o=1.4,f=-0.045) USER MOD Single : C 248 GLN : amide:sc= -1.08! C(o=-1.1!,f=-3.1!) USER MOD Single : C 256 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 259 GLN : amide:sc= -4.24! C(o=-4.2!,f=-5.4!) USER MOD Single : C 264 LYS NZ :NH3+ 165:sc= -0.0405 (180deg=-0.258) USER MOD Single : C 267 ASN : amide:sc= -0.97! C(o=-0.97!,f=-2.3!) USER MOD Single : D 323 SER OG : rot 52:sc= 1.33 USER MOD Single : D 324 MET CE :methyl -165:sc= -0.0437 (180deg=-0.34) USER MOD Single : D 325 LYS NZ :NH3+ 151:sc= 0.429 (180deg=0.115) USER MOD ----------------------------------------------------------------- ATOM 115 N ARG A 8 2.623 9.908 -15.447 1.00 65.40 N ATOM 116 CA ARG A 8 1.320 9.294 -15.521 1.00 74.33 C ATOM 117 C ARG A 8 0.757 9.057 -14.153 1.00 23.15 C ATOM 118 O ARG A 8 1.482 9.060 -13.155 1.00 73.14 O ATOM 119 CB ARG A 8 1.379 7.947 -16.246 1.00 54.53 C ATOM 120 CG ARG A 8 1.728 8.005 -17.714 1.00 11.04 C ATOM 121 CD ARG A 8 1.715 6.608 -18.291 1.00 21.44 C ATOM 122 NE ARG A 8 1.918 6.590 -19.734 1.00 50.04 N ATOM 123 CZ ARG A 8 1.805 5.499 -20.493 1.00 41.54 C ATOM 124 NH1 ARG A 8 1.616 4.305 -19.929 1.00 32.11 N ATOM 125 NH2 ARG A 8 1.913 5.592 -21.804 1.00 51.45 N ATOM 0 HA ARG A 8 0.682 9.984 -16.074 1.00 74.33 H new ATOM 0 HB2 ARG A 8 2.112 7.317 -15.742 1.00 54.53 H new ATOM 0 HB3 ARG A 8 0.411 7.457 -16.141 1.00 54.53 H new ATOM 0 HG2 ARG A 8 1.014 8.635 -18.244 1.00 11.04 H new ATOM 0 HG3 ARG A 8 2.711 8.456 -17.847 1.00 11.04 H new ATOM 0 HD2 ARG A 8 2.494 6.015 -17.812 1.00 21.44 H new ATOM 0 HD3 ARG A 8 0.763 6.132 -18.057 1.00 21.44 H new ATOM 0 HE ARG A 8 2.162 7.468 -20.193 1.00 50.04 H new ATOM 0 HH11 ARG A 8 1.557 4.224 -18.914 1.00 32.11 H new ATOM 0 HH12 ARG A 8 1.530 3.473 -20.513 1.00 32.11 H new ATOM 0 HH21 ARG A 8 2.083 6.499 -22.239 1.00 51.45 H new ATOM 0 HH22 ARG A 8 1.826 4.757 -22.383 1.00 51.45 H new ATOM 139 N CYS A 9 -0.529 8.870 -14.119 1.00 32.55 N ATOM 140 CA CYS A 9 -1.243 8.507 -12.933 1.00 11.23 C ATOM 141 C CYS A 9 -2.206 7.389 -13.341 1.00 4.50 C ATOM 142 O CYS A 9 -2.845 7.492 -14.394 1.00 34.30 O ATOM 143 CB CYS A 9 -2.010 9.721 -12.389 1.00 2.11 C ATOM 144 SG CYS A 9 -0.959 11.191 -12.093 1.00 1.33 S ATOM 0 H CYS A 9 -1.126 8.969 -14.940 1.00 32.55 H new ATOM 0 HA CYS A 9 -0.571 8.172 -12.143 1.00 11.23 H new ATOM 0 HB2 CYS A 9 -2.798 9.986 -13.094 1.00 2.11 H new ATOM 0 HB3 CYS A 9 -2.498 9.441 -11.455 1.00 2.11 H new ATOM 149 N PRO A 10 -2.301 6.288 -12.568 1.00 21.23 N ATOM 150 CA PRO A 10 -3.143 5.157 -12.934 1.00 4.51 C ATOM 151 C PRO A 10 -4.616 5.530 -13.041 1.00 4.32 C ATOM 152 O PRO A 10 -5.243 5.368 -14.090 1.00 31.44 O ATOM 153 CB PRO A 10 -2.939 4.151 -11.793 1.00 31.44 C ATOM 154 CG PRO A 10 -1.688 4.575 -11.120 1.00 24.24 C ATOM 155 CD PRO A 10 -1.592 6.057 -11.309 1.00 24.55 C ATOM 0 HA PRO A 10 -2.871 4.769 -13.915 1.00 4.51 H new ATOM 0 HB2 PRO A 10 -3.782 4.163 -11.102 1.00 31.44 H new ATOM 0 HB3 PRO A 10 -2.855 3.134 -12.175 1.00 31.44 H new ATOM 0 HG2 PRO A 10 -1.710 4.319 -10.061 1.00 24.24 H new ATOM 0 HG3 PRO A 10 -0.824 4.071 -11.552 1.00 24.24 H new ATOM 0 HD2 PRO A 10 -2.054 6.598 -10.483 1.00 24.55 H new ATOM 0 HD3 PRO A 10 -0.555 6.388 -11.366 1.00 24.55 H new ATOM 163 N CYS A 11 -5.162 5.995 -11.972 1.00 42.10 N ATOM 164 CA CYS A 11 -6.540 6.352 -11.940 1.00 13.33 C ATOM 165 C CYS A 11 -6.718 7.848 -12.098 1.00 5.42 C ATOM 166 O CYS A 11 -5.857 8.631 -11.690 1.00 53.21 O ATOM 167 CB CYS A 11 -7.156 5.861 -10.649 1.00 4.24 C ATOM 168 SG CYS A 11 -6.925 4.075 -10.394 1.00 35.13 S ATOM 0 H CYS A 11 -4.666 6.139 -11.093 1.00 42.10 H new ATOM 0 HA CYS A 11 -7.051 5.877 -12.778 1.00 13.33 H new ATOM 0 HB2 CYS A 11 -6.716 6.403 -9.812 1.00 4.24 H new ATOM 0 HB3 CYS A 11 -8.222 6.089 -10.651 1.00 4.24 H new ATOM 173 N ARG A 12 -7.803 8.228 -12.711 1.00 14.11 N ATOM 174 CA ARG A 12 -8.175 9.610 -12.845 1.00 13.21 C ATOM 175 C ARG A 12 -9.248 9.893 -11.815 1.00 61.10 C ATOM 176 O ARG A 12 -9.219 10.898 -11.120 1.00 21.43 O ATOM 177 CB ARG A 12 -8.706 9.884 -14.250 1.00 41.41 C ATOM 178 CG ARG A 12 -9.138 11.315 -14.469 1.00 1.31 C ATOM 179 CD ARG A 12 -9.733 11.510 -15.842 1.00 62.13 C ATOM 180 NE ARG A 12 -10.207 12.876 -16.025 1.00 53.42 N ATOM 181 CZ ARG A 12 -11.228 13.234 -16.800 1.00 44.53 C ATOM 182 NH1 ARG A 12 -11.877 12.326 -17.510 1.00 51.40 N ATOM 183 NH2 ARG A 12 -11.594 14.503 -16.869 1.00 13.24 N ATOM 0 H ARG A 12 -8.464 7.579 -13.138 1.00 14.11 H new ATOM 0 HA ARG A 12 -7.311 10.255 -12.686 1.00 13.21 H new ATOM 0 HB2 ARG A 12 -7.933 9.632 -14.976 1.00 41.41 H new ATOM 0 HB3 ARG A 12 -9.552 9.225 -14.444 1.00 41.41 H new ATOM 0 HG2 ARG A 12 -9.870 11.595 -13.711 1.00 1.31 H new ATOM 0 HG3 ARG A 12 -8.281 11.978 -14.345 1.00 1.31 H new ATOM 0 HD2 ARG A 12 -8.986 11.277 -16.601 1.00 62.13 H new ATOM 0 HD3 ARG A 12 -10.560 10.814 -15.985 1.00 62.13 H new ATOM 0 HE ARG A 12 -9.718 13.615 -15.520 1.00 53.42 H new ATOM 0 HH11 ARG A 12 -11.596 11.347 -17.465 1.00 51.40 H new ATOM 0 HH12 ARG A 12 -12.659 12.605 -18.103 1.00 51.40 H new ATOM 0 HH21 ARG A 12 -11.094 15.208 -16.328 1.00 13.24 H new ATOM 0 HH22 ARG A 12 -12.377 14.776 -17.463 1.00 13.24 H new ATOM 197 N PHE A 13 -10.190 8.982 -11.733 1.00 23.21 N ATOM 198 CA PHE A 13 -11.240 9.047 -10.755 1.00 3.22 C ATOM 199 C PHE A 13 -10.964 8.014 -9.693 1.00 52.40 C ATOM 200 O PHE A 13 -10.443 6.936 -9.999 1.00 30.34 O ATOM 201 CB PHE A 13 -12.616 8.796 -11.392 1.00 4.15 C ATOM 202 CG PHE A 13 -13.008 9.809 -12.429 1.00 41.13 C ATOM 203 CD1 PHE A 13 -13.506 11.046 -12.052 1.00 35.53 C ATOM 204 CD2 PHE A 13 -12.882 9.528 -13.781 1.00 23.54 C ATOM 205 CE1 PHE A 13 -13.870 11.982 -12.998 1.00 54.23 C ATOM 206 CE2 PHE A 13 -13.246 10.461 -14.731 1.00 53.34 C ATOM 207 CZ PHE A 13 -13.739 11.690 -14.339 1.00 13.24 C ATOM 0 H PHE A 13 -10.246 8.171 -12.349 1.00 23.21 H new ATOM 0 HA PHE A 13 -11.261 10.046 -10.319 1.00 3.22 H new ATOM 0 HB2 PHE A 13 -12.618 7.806 -11.848 1.00 4.15 H new ATOM 0 HB3 PHE A 13 -13.371 8.786 -10.606 1.00 4.15 H new ATOM 0 HD1 PHE A 13 -13.611 11.281 -11.003 1.00 35.53 H new ATOM 0 HD2 PHE A 13 -12.495 8.569 -14.094 1.00 23.54 H new ATOM 0 HE1 PHE A 13 -14.257 12.942 -12.689 1.00 54.23 H new ATOM 0 HE2 PHE A 13 -13.145 10.230 -15.781 1.00 53.34 H new ATOM 0 HZ PHE A 13 -14.022 12.421 -15.082 1.00 13.24 H new ATOM 217 N PHE A 14 -11.267 8.335 -8.472 1.00 64.10 N ATOM 218 CA PHE A 14 -11.041 7.428 -7.370 1.00 72.12 C ATOM 219 C PHE A 14 -12.310 7.212 -6.611 1.00 50.22 C ATOM 220 O PHE A 14 -12.960 8.165 -6.219 1.00 62.13 O ATOM 221 CB PHE A 14 -9.949 7.963 -6.431 1.00 71.02 C ATOM 222 CG PHE A 14 -8.590 8.035 -7.061 1.00 74.03 C ATOM 223 CD1 PHE A 14 -8.235 9.105 -7.862 1.00 41.13 C ATOM 224 CD2 PHE A 14 -7.670 7.029 -6.851 1.00 13.24 C ATOM 225 CE1 PHE A 14 -6.992 9.165 -8.443 1.00 15.21 C ATOM 226 CE2 PHE A 14 -6.422 7.083 -7.428 1.00 22.42 C ATOM 227 CZ PHE A 14 -6.085 8.153 -8.226 1.00 74.13 C ATOM 0 H PHE A 14 -11.677 9.229 -8.204 1.00 64.10 H new ATOM 0 HA PHE A 14 -10.703 6.476 -7.778 1.00 72.12 H new ATOM 0 HB2 PHE A 14 -10.233 8.958 -6.088 1.00 71.02 H new ATOM 0 HB3 PHE A 14 -9.897 7.325 -5.549 1.00 71.02 H new ATOM 0 HD1 PHE A 14 -8.943 9.902 -8.033 1.00 41.13 H new ATOM 0 HD2 PHE A 14 -7.932 6.188 -6.226 1.00 13.24 H new ATOM 0 HE1 PHE A 14 -6.727 10.004 -9.069 1.00 15.21 H new ATOM 0 HE2 PHE A 14 -5.710 6.289 -7.256 1.00 22.42 H new ATOM 0 HZ PHE A 14 -5.107 8.198 -8.682 1.00 74.13 H new ATOM 237 N GLU A 15 -12.658 5.975 -6.424 1.00 23.50 N ATOM 238 CA GLU A 15 -13.827 5.578 -5.684 1.00 52.13 C ATOM 239 C GLU A 15 -13.635 5.901 -4.218 1.00 32.43 C ATOM 240 O GLU A 15 -12.506 5.896 -3.707 1.00 30.44 O ATOM 241 CB GLU A 15 -14.110 4.076 -5.864 1.00 60.52 C ATOM 242 CG GLU A 15 -14.655 3.653 -7.234 1.00 22.40 C ATOM 243 CD GLU A 15 -13.773 3.999 -8.427 1.00 14.21 C ATOM 244 OE1 GLU A 15 -12.803 3.267 -8.694 1.00 11.11 O ATOM 245 OE2 GLU A 15 -14.086 4.994 -9.133 1.00 40.04 O ATOM 0 H GLU A 15 -12.124 5.188 -6.791 1.00 23.50 H new ATOM 0 HA GLU A 15 -14.685 6.131 -6.067 1.00 52.13 H new ATOM 0 HB2 GLU A 15 -13.186 3.528 -5.678 1.00 60.52 H new ATOM 0 HB3 GLU A 15 -14.824 3.767 -5.100 1.00 60.52 H new ATOM 0 HG2 GLU A 15 -14.816 2.575 -7.224 1.00 22.40 H new ATOM 0 HG3 GLU A 15 -15.630 4.120 -7.378 1.00 22.40 H new ATOM 252 N SER A 16 -14.709 6.188 -3.538 1.00 40.44 N ATOM 253 CA SER A 16 -14.590 6.559 -2.178 1.00 34.53 C ATOM 254 C SER A 16 -15.354 5.621 -1.236 1.00 5.14 C ATOM 255 O SER A 16 -14.754 4.975 -0.377 1.00 24.41 O ATOM 256 CB SER A 16 -14.957 8.042 -1.982 1.00 64.23 C ATOM 257 OG SER A 16 -16.258 8.341 -2.459 1.00 44.12 O ATOM 0 H SER A 16 -15.660 6.170 -3.907 1.00 40.44 H new ATOM 0 HA SER A 16 -13.543 6.446 -1.898 1.00 34.53 H new ATOM 0 HB2 SER A 16 -14.894 8.293 -0.923 1.00 64.23 H new ATOM 0 HB3 SER A 16 -14.230 8.666 -2.501 1.00 64.23 H new ATOM 0 HG SER A 16 -16.576 9.170 -2.044 1.00 44.12 H new ATOM 263 N HIS A 17 -16.654 5.507 -1.403 1.00 13.12 N ATOM 264 CA HIS A 17 -17.432 4.686 -0.483 1.00 62.03 C ATOM 265 C HIS A 17 -17.428 3.221 -0.850 1.00 2.01 C ATOM 266 O HIS A 17 -18.415 2.668 -1.321 1.00 32.41 O ATOM 267 CB HIS A 17 -18.844 5.217 -0.232 1.00 54.13 C ATOM 268 CG HIS A 17 -18.877 6.528 0.502 1.00 21.11 C ATOM 269 ND1 HIS A 17 -19.430 6.678 1.745 1.00 55.24 N ATOM 270 CD2 HIS A 17 -18.449 7.754 0.142 1.00 33.45 C ATOM 271 CE1 HIS A 17 -19.345 7.932 2.117 1.00 74.05 C ATOM 272 NE2 HIS A 17 -18.752 8.613 1.162 1.00 51.33 N ATOM 0 H HIS A 17 -17.189 5.957 -2.145 1.00 13.12 H new ATOM 0 HA HIS A 17 -16.912 4.766 0.471 1.00 62.03 H new ATOM 0 HB2 HIS A 17 -19.354 5.334 -1.188 1.00 54.13 H new ATOM 0 HB3 HIS A 17 -19.404 4.477 0.339 1.00 54.13 H new ATOM 0 HD1 HIS A 17 -19.845 5.928 2.298 1.00 55.24 H new ATOM 0 HD2 HIS A 17 -17.956 8.011 -0.784 1.00 33.45 H new ATOM 0 HE1 HIS A 17 -19.702 8.338 3.052 1.00 74.05 H new ATOM 281 N VAL A 18 -16.290 2.627 -0.681 1.00 30.24 N ATOM 282 CA VAL A 18 -16.082 1.230 -0.934 1.00 62.11 C ATOM 283 C VAL A 18 -16.028 0.526 0.413 1.00 70.32 C ATOM 284 O VAL A 18 -15.603 1.127 1.409 1.00 72.01 O ATOM 285 CB VAL A 18 -14.748 1.010 -1.714 1.00 11.44 C ATOM 286 CG1 VAL A 18 -14.511 -0.463 -2.034 1.00 71.13 C ATOM 287 CG2 VAL A 18 -14.736 1.843 -2.994 1.00 25.45 C ATOM 0 H VAL A 18 -15.454 3.111 -0.354 1.00 30.24 H new ATOM 0 HA VAL A 18 -16.891 0.829 -1.544 1.00 62.11 H new ATOM 0 HB VAL A 18 -13.934 1.339 -1.068 1.00 11.44 H new ATOM 0 HG11 VAL A 18 -13.572 -0.571 -2.577 1.00 71.13 H new ATOM 0 HG12 VAL A 18 -14.461 -1.033 -1.106 1.00 71.13 H new ATOM 0 HG13 VAL A 18 -15.330 -0.838 -2.647 1.00 71.13 H new ATOM 0 HG21 VAL A 18 -13.799 1.678 -3.526 1.00 25.45 H new ATOM 0 HG22 VAL A 18 -15.571 1.547 -3.629 1.00 25.45 H new ATOM 0 HG23 VAL A 18 -14.829 2.899 -2.742 1.00 25.45 H new ATOM 297 N ALA A 19 -16.480 -0.702 0.470 1.00 15.31 N ATOM 298 CA ALA A 19 -16.483 -1.430 1.706 1.00 21.55 C ATOM 299 C ALA A 19 -15.132 -2.060 1.906 1.00 71.23 C ATOM 300 O ALA A 19 -14.689 -2.867 1.089 1.00 5.50 O ATOM 301 CB ALA A 19 -17.589 -2.477 1.721 1.00 40.42 C ATOM 0 H ALA A 19 -16.851 -1.216 -0.329 1.00 15.31 H new ATOM 0 HA ALA A 19 -16.682 -0.744 2.529 1.00 21.55 H new ATOM 0 HB1 ALA A 19 -17.569 -3.014 2.669 1.00 40.42 H new ATOM 0 HB2 ALA A 19 -18.555 -1.987 1.602 1.00 40.42 H new ATOM 0 HB3 ALA A 19 -17.436 -3.180 0.902 1.00 40.42 H new ATOM 307 N ARG A 20 -14.474 -1.705 2.987 1.00 24.23 N ATOM 308 CA ARG A 20 -13.132 -2.180 3.239 1.00 62.01 C ATOM 309 C ARG A 20 -13.087 -3.668 3.540 1.00 15.35 C ATOM 310 O ARG A 20 -12.050 -4.294 3.463 1.00 25.23 O ATOM 311 CB ARG A 20 -12.399 -1.320 4.293 1.00 12.40 C ATOM 312 CG ARG A 20 -12.967 -1.255 5.719 1.00 12.20 C ATOM 313 CD ARG A 20 -12.781 -2.556 6.479 1.00 64.31 C ATOM 314 NE ARG A 20 -13.062 -2.394 7.906 1.00 64.41 N ATOM 315 CZ ARG A 20 -13.013 -3.367 8.831 1.00 32.04 C ATOM 316 NH1 ARG A 20 -12.827 -4.640 8.475 1.00 11.43 N ATOM 317 NH2 ARG A 20 -13.176 -3.058 10.113 1.00 54.54 N ATOM 0 H ARG A 20 -14.848 -1.087 3.707 1.00 24.23 H new ATOM 0 HA ARG A 20 -12.574 -2.056 2.311 1.00 62.01 H new ATOM 0 HB2 ARG A 20 -11.374 -1.685 4.362 1.00 12.40 H new ATOM 0 HB3 ARG A 20 -12.349 -0.300 3.911 1.00 12.40 H new ATOM 0 HG2 ARG A 20 -12.480 -0.447 6.264 1.00 12.20 H new ATOM 0 HG3 ARG A 20 -14.029 -1.014 5.673 1.00 12.20 H new ATOM 0 HD2 ARG A 20 -13.440 -3.318 6.063 1.00 64.31 H new ATOM 0 HD3 ARG A 20 -11.759 -2.911 6.347 1.00 64.31 H new ATOM 0 HE ARG A 20 -13.318 -1.460 8.227 1.00 64.41 H new ATOM 0 HH11 ARG A 20 -12.720 -4.884 7.490 1.00 11.43 H new ATOM 0 HH12 ARG A 20 -12.792 -5.369 9.188 1.00 11.43 H new ATOM 0 HH21 ARG A 20 -13.337 -2.089 10.388 1.00 54.54 H new ATOM 0 HH22 ARG A 20 -13.140 -3.790 10.823 1.00 54.54 H new ATOM 331 N ALA A 21 -14.216 -4.210 3.893 1.00 1.41 N ATOM 332 CA ALA A 21 -14.336 -5.619 4.143 1.00 45.33 C ATOM 333 C ALA A 21 -14.519 -6.382 2.833 1.00 31.41 C ATOM 334 O ALA A 21 -14.435 -7.602 2.801 1.00 32.43 O ATOM 335 CB ALA A 21 -15.495 -5.885 5.083 1.00 53.10 C ATOM 0 H ALA A 21 -15.083 -3.687 4.016 1.00 1.41 H new ATOM 0 HA ALA A 21 -13.418 -5.970 4.615 1.00 45.33 H new ATOM 0 HB1 ALA A 21 -15.577 -6.956 5.266 1.00 53.10 H new ATOM 0 HB2 ALA A 21 -15.324 -5.368 6.027 1.00 53.10 H new ATOM 0 HB3 ALA A 21 -16.419 -5.522 4.633 1.00 53.10 H new ATOM 341 N ASN A 22 -14.765 -5.656 1.755 1.00 30.35 N ATOM 342 CA ASN A 22 -15.033 -6.285 0.473 1.00 32.54 C ATOM 343 C ASN A 22 -13.822 -6.138 -0.471 1.00 30.41 C ATOM 344 O ASN A 22 -13.822 -6.636 -1.606 1.00 61.51 O ATOM 345 CB ASN A 22 -16.294 -5.679 -0.149 1.00 51.21 C ATOM 346 CG ASN A 22 -16.805 -6.454 -1.348 1.00 64.31 C ATOM 347 OD1 ASN A 22 -16.662 -7.688 -1.428 1.00 43.33 O ATOM 348 ND2 ASN A 22 -17.402 -5.756 -2.279 1.00 31.25 N ATOM 0 H ASN A 22 -14.785 -4.636 1.742 1.00 30.35 H new ATOM 0 HA ASN A 22 -15.201 -7.350 0.630 1.00 32.54 H new ATOM 0 HB2 ASN A 22 -17.078 -5.635 0.607 1.00 51.21 H new ATOM 0 HB3 ASN A 22 -16.084 -4.653 -0.451 1.00 51.21 H new ATOM 0 HD21 ASN A 22 -17.771 -6.222 -3.108 1.00 31.25 H new ATOM 0 HD22 ASN A 22 -17.499 -4.746 -2.176 1.00 31.25 H new ATOM 355 N VAL A 23 -12.796 -5.463 -0.008 1.00 74.33 N ATOM 356 CA VAL A 23 -11.572 -5.337 -0.783 1.00 61.44 C ATOM 357 C VAL A 23 -10.531 -6.319 -0.281 1.00 22.35 C ATOM 358 O VAL A 23 -10.472 -6.602 0.914 1.00 63.55 O ATOM 359 CB VAL A 23 -10.989 -3.894 -0.771 1.00 62.12 C ATOM 360 CG1 VAL A 23 -11.935 -2.928 -1.457 1.00 21.21 C ATOM 361 CG2 VAL A 23 -10.707 -3.425 0.653 1.00 70.44 C ATOM 0 H VAL A 23 -12.779 -4.993 0.897 1.00 74.33 H new ATOM 0 HA VAL A 23 -11.832 -5.566 -1.817 1.00 61.44 H new ATOM 0 HB VAL A 23 -10.047 -3.914 -1.319 1.00 62.12 H new ATOM 0 HG11 VAL A 23 -11.508 -1.925 -1.437 1.00 21.21 H new ATOM 0 HG12 VAL A 23 -12.085 -3.238 -2.491 1.00 21.21 H new ATOM 0 HG13 VAL A 23 -12.893 -2.925 -0.936 1.00 21.21 H new ATOM 0 HG21 VAL A 23 -10.301 -2.414 0.629 1.00 70.44 H new ATOM 0 HG22 VAL A 23 -11.633 -3.430 1.228 1.00 70.44 H new ATOM 0 HG23 VAL A 23 -9.986 -4.095 1.121 1.00 70.44 H new ATOM 371 N LYS A 24 -9.742 -6.869 -1.199 1.00 30.14 N ATOM 372 CA LYS A 24 -8.682 -7.773 -0.813 1.00 2.14 C ATOM 373 C LYS A 24 -7.603 -7.024 -0.068 1.00 73.24 C ATOM 374 O LYS A 24 -7.311 -7.331 1.061 1.00 70.15 O ATOM 375 CB LYS A 24 -8.068 -8.532 -2.019 1.00 43.12 C ATOM 376 CG LYS A 24 -9.061 -9.407 -2.753 1.00 45.14 C ATOM 377 CD LYS A 24 -8.436 -10.306 -3.826 1.00 54.35 C ATOM 378 CE LYS A 24 -7.732 -9.534 -4.921 1.00 24.32 C ATOM 379 NZ LYS A 24 -7.184 -10.446 -5.963 1.00 62.13 N ATOM 0 H LYS A 24 -9.820 -6.703 -2.202 1.00 30.14 H new ATOM 0 HA LYS A 24 -9.129 -8.522 -0.160 1.00 2.14 H new ATOM 0 HB2 LYS A 24 -7.648 -7.808 -2.718 1.00 43.12 H new ATOM 0 HB3 LYS A 24 -7.243 -9.150 -1.666 1.00 43.12 H new ATOM 0 HG2 LYS A 24 -9.581 -10.034 -2.028 1.00 45.14 H new ATOM 0 HG3 LYS A 24 -9.812 -8.771 -3.221 1.00 45.14 H new ATOM 0 HD2 LYS A 24 -7.724 -10.982 -3.353 1.00 54.35 H new ATOM 0 HD3 LYS A 24 -9.216 -10.924 -4.271 1.00 54.35 H new ATOM 0 HE2 LYS A 24 -8.429 -8.833 -5.379 1.00 24.32 H new ATOM 0 HE3 LYS A 24 -6.923 -8.944 -4.490 1.00 24.32 H new ATOM 0 HZ1 LYS A 24 -6.708 -9.886 -6.699 1.00 62.13 H new ATOM 0 HZ2 LYS A 24 -6.501 -11.099 -5.528 1.00 62.13 H new ATOM 0 HZ3 LYS A 24 -7.960 -10.991 -6.390 1.00 62.13 H new ATOM 393 N HIS A 25 -7.048 -6.004 -0.706 1.00 60.34 N ATOM 394 CA HIS A 25 -5.942 -5.239 -0.114 1.00 1.33 C ATOM 395 C HIS A 25 -5.630 -4.023 -0.959 1.00 3.55 C ATOM 396 O HIS A 25 -6.321 -3.781 -1.962 1.00 44.41 O ATOM 397 CB HIS A 25 -4.691 -6.107 0.041 1.00 42.50 C ATOM 398 CG HIS A 25 -4.032 -6.590 -1.236 1.00 31.01 C ATOM 399 ND1 HIS A 25 -2.929 -7.279 -1.388 1.00 23.04 N flip ATOM 400 CD2 HIS A 25 -4.507 -6.378 -2.513 1.00 44.13 C flip ATOM 401 CE1 HIS A 25 -2.725 -7.507 -2.704 1.00 23.42 C flip ATOM 402 NE2 HIS A 25 -3.681 -6.950 -3.367 1.00 52.41 N flip ATOM 0 H HIS A 25 -7.338 -5.682 -1.629 1.00 60.34 H new ATOM 0 HA HIS A 25 -6.254 -4.911 0.878 1.00 1.33 H new ATOM 0 HB2 HIS A 25 -3.954 -5.542 0.611 1.00 42.50 H new ATOM 0 HB3 HIS A 25 -4.955 -6.980 0.638 1.00 42.50 H new ATOM 0 HD2 HIS A 25 -5.404 -5.835 -2.770 1.00 44.13 H new ATOM 0 HE1 HIS A 25 -1.901 -8.062 -3.129 1.00 23.42 H new ATOM 0 HE2 HIS A 25 -3.781 -6.952 -4.382 1.00 52.41 H new ATOM 411 N LEU A 26 -4.536 -3.323 -0.636 1.00 22.32 N ATOM 412 CA LEU A 26 -4.234 -2.061 -1.300 1.00 54.43 C ATOM 413 C LEU A 26 -2.932 -2.116 -2.096 1.00 24.01 C ATOM 414 O LEU A 26 -2.066 -2.954 -1.854 1.00 11.25 O ATOM 415 CB LEU A 26 -4.127 -0.928 -0.275 1.00 74.21 C ATOM 416 CG LEU A 26 -5.342 -0.688 0.619 1.00 74.42 C ATOM 417 CD1 LEU A 26 -5.090 0.494 1.532 1.00 51.42 C ATOM 418 CD2 LEU A 26 -6.596 -0.472 -0.207 1.00 11.21 C ATOM 0 H LEU A 26 -3.858 -3.608 0.071 1.00 22.32 H new ATOM 0 HA LEU A 26 -5.055 -1.875 -1.993 1.00 54.43 H new ATOM 0 HB2 LEU A 26 -3.269 -1.130 0.366 1.00 74.21 H new ATOM 0 HB3 LEU A 26 -3.913 -0.004 -0.812 1.00 74.21 H new ATOM 0 HG LEU A 26 -5.499 -1.577 1.231 1.00 74.42 H new ATOM 0 HD11 LEU A 26 -5.962 0.657 2.165 1.00 51.42 H new ATOM 0 HD12 LEU A 26 -4.220 0.292 2.157 1.00 51.42 H new ATOM 0 HD13 LEU A 26 -4.906 1.385 0.931 1.00 51.42 H new ATOM 0 HD21 LEU A 26 -7.444 -0.304 0.457 1.00 11.21 H new ATOM 0 HD22 LEU A 26 -6.462 0.397 -0.852 1.00 11.21 H new ATOM 0 HD23 LEU A 26 -6.784 -1.353 -0.820 1.00 11.21 H new ATOM 430 N LYS A 27 -2.837 -1.226 -3.046 1.00 45.11 N ATOM 431 CA LYS A 27 -1.672 -1.023 -3.888 1.00 41.22 C ATOM 432 C LYS A 27 -1.377 0.481 -3.851 1.00 4.22 C ATOM 433 O LYS A 27 -2.258 1.269 -4.186 1.00 44.51 O ATOM 434 CB LYS A 27 -2.050 -1.396 -5.338 1.00 62.45 C ATOM 435 CG LYS A 27 -0.903 -1.353 -6.363 1.00 41.40 C ATOM 436 CD LYS A 27 -0.022 -2.606 -6.366 1.00 55.42 C ATOM 437 CE LYS A 27 -0.688 -3.822 -7.062 1.00 22.14 C ATOM 438 NZ LYS A 27 -2.029 -4.158 -6.546 1.00 63.50 N ATOM 0 H LYS A 27 -3.601 -0.589 -3.271 1.00 45.11 H new ATOM 0 HA LYS A 27 -0.822 -1.619 -3.555 1.00 41.22 H new ATOM 0 HB2 LYS A 27 -2.472 -2.401 -5.336 1.00 62.45 H new ATOM 0 HB3 LYS A 27 -2.837 -0.720 -5.673 1.00 62.45 H new ATOM 0 HG2 LYS A 27 -1.324 -1.215 -7.359 1.00 41.40 H new ATOM 0 HG3 LYS A 27 -0.279 -0.483 -6.158 1.00 41.40 H new ATOM 0 HD2 LYS A 27 0.919 -2.379 -6.868 1.00 55.42 H new ATOM 0 HD3 LYS A 27 0.222 -2.873 -5.338 1.00 55.42 H new ATOM 0 HE2 LYS A 27 -0.763 -3.618 -8.130 1.00 22.14 H new ATOM 0 HE3 LYS A 27 -0.040 -4.691 -6.948 1.00 22.14 H new ATOM 0 HZ1 LYS A 27 -2.262 -5.140 -6.797 1.00 63.50 H new ATOM 0 HZ2 LYS A 27 -2.039 -4.054 -5.511 1.00 63.50 H new ATOM 0 HZ3 LYS A 27 -2.733 -3.517 -6.965 1.00 63.50 H new ATOM 452 N ILE A 28 -0.187 0.885 -3.440 1.00 34.11 N ATOM 453 CA ILE A 28 0.133 2.300 -3.387 1.00 4.14 C ATOM 454 C ILE A 28 1.047 2.665 -4.542 1.00 44.21 C ATOM 455 O ILE A 28 2.186 2.186 -4.629 1.00 24.50 O ATOM 456 CB ILE A 28 0.827 2.716 -2.059 1.00 35.13 C ATOM 457 CG1 ILE A 28 -0.037 2.361 -0.850 1.00 50.42 C ATOM 458 CG2 ILE A 28 1.105 4.219 -2.062 1.00 14.31 C ATOM 459 CD1 ILE A 28 0.605 2.690 0.486 1.00 72.02 C ATOM 0 H ILE A 28 0.564 0.262 -3.142 1.00 34.11 H new ATOM 0 HA ILE A 28 -0.815 2.834 -3.451 1.00 4.14 H new ATOM 0 HB ILE A 28 1.767 2.169 -1.986 1.00 35.13 H new ATOM 0 HG12 ILE A 28 -0.986 2.892 -0.926 1.00 50.42 H new ATOM 0 HG13 ILE A 28 -0.265 1.295 -0.879 1.00 50.42 H new ATOM 0 HG21 ILE A 28 1.591 4.501 -1.128 1.00 14.31 H new ATOM 0 HG22 ILE A 28 1.757 4.467 -2.900 1.00 14.31 H new ATOM 0 HG23 ILE A 28 0.165 4.763 -2.160 1.00 14.31 H new ATOM 0 HD11 ILE A 28 -0.071 2.408 1.294 1.00 72.02 H new ATOM 0 HD12 ILE A 28 1.540 2.138 0.586 1.00 72.02 H new ATOM 0 HD13 ILE A 28 0.807 3.760 0.539 1.00 72.02 H new ATOM 471 N LEU A 29 0.553 3.490 -5.421 1.00 71.30 N ATOM 472 CA LEU A 29 1.322 3.959 -6.554 1.00 3.22 C ATOM 473 C LEU A 29 1.951 5.302 -6.284 1.00 21.22 C ATOM 474 O LEU A 29 1.323 6.200 -5.710 1.00 33.15 O ATOM 475 CB LEU A 29 0.495 3.992 -7.862 1.00 51.32 C ATOM 476 CG LEU A 29 0.403 2.691 -8.685 1.00 42.10 C ATOM 477 CD1 LEU A 29 1.764 2.313 -9.216 1.00 34.01 C ATOM 478 CD2 LEU A 29 -0.174 1.548 -7.884 1.00 22.35 C ATOM 0 H LEU A 29 -0.396 3.861 -5.378 1.00 71.30 H new ATOM 0 HA LEU A 29 2.122 3.233 -6.698 1.00 3.22 H new ATOM 0 HB2 LEU A 29 -0.519 4.302 -7.610 1.00 51.32 H new ATOM 0 HB3 LEU A 29 0.914 4.766 -8.504 1.00 51.32 H new ATOM 0 HG LEU A 29 -0.274 2.882 -9.517 1.00 42.10 H new ATOM 0 HD11 LEU A 29 1.686 1.393 -9.795 1.00 34.01 H new ATOM 0 HD12 LEU A 29 2.141 3.113 -9.854 1.00 34.01 H new ATOM 0 HD13 LEU A 29 2.450 2.160 -8.383 1.00 34.01 H new ATOM 0 HD21 LEU A 29 -0.219 0.654 -8.506 1.00 22.35 H new ATOM 0 HD22 LEU A 29 0.458 1.356 -7.017 1.00 22.35 H new ATOM 0 HD23 LEU A 29 -1.178 1.808 -7.550 1.00 22.35 H new ATOM 490 N ASN A 30 3.187 5.419 -6.669 1.00 33.45 N ATOM 491 CA ASN A 30 3.925 6.644 -6.540 1.00 50.21 C ATOM 492 C ASN A 30 3.992 7.281 -7.911 1.00 32.22 C ATOM 493 O ASN A 30 4.699 6.804 -8.796 1.00 2.22 O ATOM 494 CB ASN A 30 5.327 6.356 -6.001 1.00 45.40 C ATOM 495 CG ASN A 30 6.179 7.597 -5.822 1.00 43.43 C ATOM 496 OD1 ASN A 30 6.887 8.004 -6.725 1.00 71.41 O ATOM 497 ND2 ASN A 30 6.140 8.182 -4.645 1.00 14.43 N ATOM 0 H ASN A 30 3.720 4.657 -7.088 1.00 33.45 H new ATOM 0 HA ASN A 30 3.437 7.321 -5.838 1.00 50.21 H new ATOM 0 HB2 ASN A 30 5.240 5.845 -5.042 1.00 45.40 H new ATOM 0 HB3 ASN A 30 5.835 5.673 -6.682 1.00 45.40 H new ATOM 0 HD21 ASN A 30 6.715 9.005 -4.465 1.00 14.43 H new ATOM 0 HD22 ASN A 30 5.534 7.813 -3.912 1.00 14.43 H new ATOM 504 N THR A 31 3.213 8.302 -8.101 1.00 13.13 N ATOM 505 CA THR A 31 3.103 8.936 -9.383 1.00 25.12 C ATOM 506 C THR A 31 3.718 10.321 -9.382 1.00 52.11 C ATOM 507 O THR A 31 3.385 11.147 -8.535 1.00 55.31 O ATOM 508 CB THR A 31 1.632 9.032 -9.774 1.00 1.53 C ATOM 509 OG1 THR A 31 0.904 9.685 -8.724 1.00 61.32 O ATOM 510 CG2 THR A 31 1.060 7.655 -9.994 1.00 10.20 C ATOM 0 H THR A 31 2.635 8.721 -7.373 1.00 13.13 H new ATOM 0 HA THR A 31 3.649 8.330 -10.106 1.00 25.12 H new ATOM 0 HB THR A 31 1.547 9.604 -10.698 1.00 1.53 H new ATOM 0 HG1 THR A 31 1.438 10.425 -8.367 1.00 61.32 H new ATOM 0 HG21 THR A 31 0.009 7.738 -10.273 1.00 10.20 H new ATOM 0 HG22 THR A 31 1.609 7.156 -10.793 1.00 10.20 H new ATOM 0 HG23 THR A 31 1.147 7.074 -9.076 1.00 10.20 H new ATOM 518 N PRO A 32 4.589 10.614 -10.356 1.00 1.53 N ATOM 519 CA PRO A 32 5.277 11.914 -10.459 1.00 13.40 C ATOM 520 C PRO A 32 4.373 13.051 -10.982 1.00 43.05 C ATOM 521 O PRO A 32 4.865 14.081 -11.439 1.00 50.40 O ATOM 522 CB PRO A 32 6.397 11.623 -11.459 1.00 24.14 C ATOM 523 CG PRO A 32 5.842 10.553 -12.330 1.00 42.42 C ATOM 524 CD PRO A 32 4.999 9.690 -11.439 1.00 53.35 C ATOM 0 HA PRO A 32 5.615 12.268 -9.485 1.00 13.40 H new ATOM 0 HB2 PRO A 32 6.656 12.511 -12.036 1.00 24.14 H new ATOM 0 HB3 PRO A 32 7.305 11.294 -10.954 1.00 24.14 H new ATOM 0 HG2 PRO A 32 5.247 10.978 -13.138 1.00 42.42 H new ATOM 0 HG3 PRO A 32 6.641 9.973 -12.793 1.00 42.42 H new ATOM 0 HD2 PRO A 32 4.137 9.285 -11.970 1.00 53.35 H new ATOM 0 HD3 PRO A 32 5.562 8.841 -11.051 1.00 53.35 H new ATOM 532 N ASN A 33 3.073 12.867 -10.905 1.00 60.24 N ATOM 533 CA ASN A 33 2.133 13.889 -11.371 1.00 20.35 C ATOM 534 C ASN A 33 0.924 13.977 -10.425 1.00 13.33 C ATOM 535 O ASN A 33 0.097 14.881 -10.522 1.00 63.11 O ATOM 536 CB ASN A 33 1.645 13.537 -12.794 1.00 74.34 C ATOM 537 CG ASN A 33 0.795 14.635 -13.436 1.00 61.01 C ATOM 538 OD1 ASN A 33 1.013 15.826 -13.208 1.00 43.11 O ATOM 539 ND2 ASN A 33 -0.181 14.245 -14.219 1.00 35.51 N ATOM 0 H ASN A 33 2.635 12.027 -10.528 1.00 60.24 H new ATOM 0 HA ASN A 33 2.643 14.852 -11.385 1.00 20.35 H new ATOM 0 HB2 ASN A 33 2.510 13.340 -13.428 1.00 74.34 H new ATOM 0 HB3 ASN A 33 1.064 12.616 -12.753 1.00 74.34 H new ATOM 0 HD21 ASN A 33 -0.788 14.936 -14.661 1.00 35.51 H new ATOM 0 HD22 ASN A 33 -0.334 13.251 -14.387 1.00 35.51 H new ATOM 546 N CYS A 34 0.840 13.058 -9.496 1.00 52.00 N ATOM 547 CA CYS A 34 -0.322 12.957 -8.636 1.00 51.52 C ATOM 548 C CYS A 34 0.068 12.629 -7.220 1.00 43.05 C ATOM 549 O CYS A 34 1.209 12.210 -6.960 1.00 70.20 O ATOM 550 CB CYS A 34 -1.314 11.917 -9.167 1.00 61.24 C ATOM 551 SG CYS A 34 -2.031 12.314 -10.796 1.00 32.34 S ATOM 0 H CYS A 34 1.564 12.364 -9.312 1.00 52.00 H new ATOM 0 HA CYS A 34 -0.810 13.932 -8.637 1.00 51.52 H new ATOM 0 HB2 CYS A 34 -0.809 10.953 -9.232 1.00 61.24 H new ATOM 0 HB3 CYS A 34 -2.124 11.805 -8.446 1.00 61.24 H new ATOM 556 N ALA A 35 -0.855 12.874 -6.301 1.00 31.41 N ATOM 557 CA ALA A 35 -0.676 12.573 -4.893 1.00 63.21 C ATOM 558 C ALA A 35 -0.583 11.049 -4.651 1.00 50.13 C ATOM 559 O ALA A 35 -0.429 10.260 -5.582 1.00 42.42 O ATOM 560 CB ALA A 35 -1.832 13.170 -4.096 1.00 41.54 C ATOM 0 H ALA A 35 -1.760 13.293 -6.518 1.00 31.41 H new ATOM 0 HA ALA A 35 0.263 13.016 -4.560 1.00 63.21 H new ATOM 0 HB1 ALA A 35 -1.699 12.945 -3.038 1.00 41.54 H new ATOM 0 HB2 ALA A 35 -1.852 14.251 -4.237 1.00 41.54 H new ATOM 0 HB3 ALA A 35 -2.772 12.742 -4.443 1.00 41.54 H new ATOM 566 N CYS A 36 -0.667 10.660 -3.392 1.00 30.14 N ATOM 567 CA CYS A 36 -0.564 9.267 -2.995 1.00 74.10 C ATOM 568 C CYS A 36 -1.727 8.493 -3.651 1.00 15.24 C ATOM 569 O CYS A 36 -2.868 8.942 -3.625 1.00 62.34 O ATOM 570 CB CYS A 36 -0.618 9.190 -1.449 1.00 25.42 C ATOM 571 SG CYS A 36 -0.103 7.601 -0.711 1.00 15.10 S ATOM 0 H CYS A 36 -0.809 11.303 -2.613 1.00 30.14 H new ATOM 0 HA CYS A 36 0.375 8.821 -3.323 1.00 74.10 H new ATOM 0 HB2 CYS A 36 0.015 9.979 -1.043 1.00 25.42 H new ATOM 0 HB3 CYS A 36 -1.638 9.403 -1.129 1.00 25.42 H new ATOM 576 N GLN A 37 -1.435 7.383 -4.277 1.00 74.34 N ATOM 577 CA GLN A 37 -2.450 6.641 -5.010 1.00 31.22 C ATOM 578 C GLN A 37 -2.724 5.321 -4.358 1.00 43.23 C ATOM 579 O GLN A 37 -1.806 4.565 -4.074 1.00 73.53 O ATOM 580 CB GLN A 37 -2.024 6.391 -6.461 1.00 54.30 C ATOM 581 CG GLN A 37 -1.656 7.613 -7.339 1.00 63.15 C ATOM 582 CD GLN A 37 -2.764 8.657 -7.553 1.00 54.31 C ATOM 583 OE1 GLN A 37 -3.533 8.974 -6.542 1.00 24.14 O flip ATOM 584 NE2 GLN A 37 -2.850 9.251 -8.620 1.00 64.24 N flip ATOM 0 H GLN A 37 -0.505 6.966 -4.299 1.00 74.34 H new ATOM 0 HA GLN A 37 -3.353 7.251 -5.001 1.00 31.22 H new ATOM 0 HB2 GLN A 37 -1.163 5.722 -6.444 1.00 54.30 H new ATOM 0 HB3 GLN A 37 -2.834 5.856 -6.958 1.00 54.30 H new ATOM 0 HG2 GLN A 37 -0.798 8.112 -6.888 1.00 63.15 H new ATOM 0 HG3 GLN A 37 -1.336 7.249 -8.315 1.00 63.15 H new ATOM 0 HE21 GLN A 37 -2.244 8.992 -9.398 1.00 64.24 H new ATOM 0 HE22 GLN A 37 -3.528 10.005 -8.731 1.00 64.24 H new ATOM 593 N ILE A 38 -3.988 5.045 -4.140 1.00 33.11 N ATOM 594 CA ILE A 38 -4.414 3.805 -3.554 1.00 71.30 C ATOM 595 C ILE A 38 -5.291 3.076 -4.573 1.00 31.50 C ATOM 596 O ILE A 38 -6.244 3.646 -5.095 1.00 44.21 O ATOM 597 CB ILE A 38 -5.263 4.056 -2.272 1.00 30.42 C ATOM 598 CG1 ILE A 38 -4.502 4.928 -1.246 1.00 22.33 C ATOM 599 CG2 ILE A 38 -5.669 2.734 -1.637 1.00 54.11 C ATOM 600 CD1 ILE A 38 -3.252 4.296 -0.680 1.00 24.01 C ATOM 0 H ILE A 38 -4.752 5.682 -4.367 1.00 33.11 H new ATOM 0 HA ILE A 38 -3.535 3.219 -3.285 1.00 71.30 H new ATOM 0 HB ILE A 38 -6.160 4.599 -2.572 1.00 30.42 H new ATOM 0 HG12 ILE A 38 -4.232 5.871 -1.721 1.00 22.33 H new ATOM 0 HG13 ILE A 38 -5.176 5.167 -0.423 1.00 22.33 H new ATOM 0 HG21 ILE A 38 -6.261 2.927 -0.743 1.00 54.11 H new ATOM 0 HG22 ILE A 38 -6.261 2.156 -2.347 1.00 54.11 H new ATOM 0 HG23 ILE A 38 -4.776 2.171 -1.366 1.00 54.11 H new ATOM 0 HD11 ILE A 38 -2.787 4.981 0.029 1.00 24.01 H new ATOM 0 HD12 ILE A 38 -3.512 3.368 -0.171 1.00 24.01 H new ATOM 0 HD13 ILE A 38 -2.554 4.083 -1.489 1.00 24.01 H new ATOM 612 N VAL A 39 -4.950 1.865 -4.891 1.00 14.13 N ATOM 613 CA VAL A 39 -5.753 1.054 -5.795 1.00 51.22 C ATOM 614 C VAL A 39 -6.093 -0.257 -5.083 1.00 20.31 C ATOM 615 O VAL A 39 -5.228 -0.835 -4.416 1.00 71.14 O ATOM 616 CB VAL A 39 -4.997 0.772 -7.139 1.00 33.50 C ATOM 617 CG1 VAL A 39 -5.862 -0.032 -8.107 1.00 13.31 C ATOM 618 CG2 VAL A 39 -4.536 2.082 -7.794 1.00 50.31 C ATOM 0 H VAL A 39 -4.113 1.400 -4.540 1.00 14.13 H new ATOM 0 HA VAL A 39 -6.665 1.593 -6.052 1.00 51.22 H new ATOM 0 HB VAL A 39 -4.116 0.176 -6.900 1.00 33.50 H new ATOM 0 HG11 VAL A 39 -5.308 -0.210 -9.028 1.00 13.31 H new ATOM 0 HG12 VAL A 39 -6.126 -0.987 -7.652 1.00 13.31 H new ATOM 0 HG13 VAL A 39 -6.771 0.526 -8.332 1.00 13.31 H new ATOM 0 HG21 VAL A 39 -4.014 1.859 -8.725 1.00 50.31 H new ATOM 0 HG22 VAL A 39 -5.403 2.708 -8.005 1.00 50.31 H new ATOM 0 HG23 VAL A 39 -3.863 2.610 -7.118 1.00 50.31 H new ATOM 628 N ALA A 40 -7.325 -0.720 -5.197 1.00 5.24 N ATOM 629 CA ALA A 40 -7.748 -1.913 -4.479 1.00 71.32 C ATOM 630 C ALA A 40 -8.530 -2.860 -5.365 1.00 53.40 C ATOM 631 O ALA A 40 -9.266 -2.440 -6.252 1.00 75.05 O ATOM 632 CB ALA A 40 -8.574 -1.535 -3.261 1.00 42.24 C ATOM 0 H ALA A 40 -8.048 -0.292 -5.776 1.00 5.24 H new ATOM 0 HA ALA A 40 -6.846 -2.432 -4.155 1.00 71.32 H new ATOM 0 HB1 ALA A 40 -8.882 -2.439 -2.736 1.00 42.24 H new ATOM 0 HB2 ALA A 40 -7.976 -0.914 -2.594 1.00 42.24 H new ATOM 0 HB3 ALA A 40 -9.457 -0.981 -3.578 1.00 42.24 H new ATOM 638 N ARG A 41 -8.362 -4.140 -5.129 1.00 3.22 N ATOM 639 CA ARG A 41 -9.083 -5.143 -5.881 1.00 71.23 C ATOM 640 C ARG A 41 -10.106 -5.839 -5.000 1.00 25.41 C ATOM 641 O ARG A 41 -9.781 -6.267 -3.888 1.00 45.01 O ATOM 642 CB ARG A 41 -8.155 -6.172 -6.549 1.00 22.22 C ATOM 643 CG ARG A 41 -7.202 -5.599 -7.580 1.00 45.43 C ATOM 644 CD ARG A 41 -6.605 -6.706 -8.440 1.00 50.33 C ATOM 645 NE ARG A 41 -5.763 -6.181 -9.525 1.00 63.02 N ATOM 646 CZ ARG A 41 -5.148 -6.936 -10.456 1.00 3.24 C ATOM 647 NH1 ARG A 41 -5.243 -8.256 -10.415 1.00 25.45 N ATOM 648 NH2 ARG A 41 -4.444 -6.362 -11.417 1.00 72.31 N ATOM 0 H ARG A 41 -7.731 -4.513 -4.420 1.00 3.22 H new ATOM 0 HA ARG A 41 -9.600 -4.619 -6.685 1.00 71.23 H new ATOM 0 HB2 ARG A 41 -7.572 -6.670 -5.774 1.00 22.22 H new ATOM 0 HB3 ARG A 41 -8.768 -6.936 -7.027 1.00 22.22 H new ATOM 0 HG2 ARG A 41 -7.730 -4.886 -8.213 1.00 45.43 H new ATOM 0 HG3 ARG A 41 -6.404 -5.051 -7.079 1.00 45.43 H new ATOM 0 HD2 ARG A 41 -6.011 -7.370 -7.812 1.00 50.33 H new ATOM 0 HD3 ARG A 41 -7.410 -7.305 -8.866 1.00 50.33 H new ATOM 0 HE ARG A 41 -5.635 -5.170 -9.577 1.00 63.02 H new ATOM 0 HH11 ARG A 41 -5.784 -8.706 -9.676 1.00 25.45 H new ATOM 0 HH12 ARG A 41 -4.776 -8.823 -11.122 1.00 25.45 H new ATOM 0 HH21 ARG A 41 -4.366 -5.346 -11.454 1.00 72.31 H new ATOM 0 HH22 ARG A 41 -3.979 -6.936 -12.121 1.00 72.31 H new ATOM 662 N LEU A 42 -11.329 -5.923 -5.496 1.00 14.32 N ATOM 663 CA LEU A 42 -12.456 -6.562 -4.799 1.00 1.43 C ATOM 664 C LEU A 42 -12.223 -8.074 -4.610 1.00 5.23 C ATOM 665 O LEU A 42 -11.703 -8.747 -5.506 1.00 43.13 O ATOM 666 CB LEU A 42 -13.792 -6.269 -5.542 1.00 54.11 C ATOM 667 CG LEU A 42 -14.370 -4.828 -5.444 1.00 72.10 C ATOM 668 CD1 LEU A 42 -14.648 -4.437 -4.004 1.00 72.14 C ATOM 669 CD2 LEU A 42 -13.465 -3.812 -6.101 1.00 31.23 C ATOM 0 H LEU A 42 -11.581 -5.546 -6.409 1.00 14.32 H new ATOM 0 HA LEU A 42 -12.527 -6.130 -3.801 1.00 1.43 H new ATOM 0 HB2 LEU A 42 -13.648 -6.502 -6.597 1.00 54.11 H new ATOM 0 HB3 LEU A 42 -14.545 -6.960 -5.163 1.00 54.11 H new ATOM 0 HG LEU A 42 -15.316 -4.833 -5.986 1.00 72.10 H new ATOM 0 HD11 LEU A 42 -15.051 -3.425 -3.973 1.00 72.14 H new ATOM 0 HD12 LEU A 42 -15.371 -5.129 -3.572 1.00 72.14 H new ATOM 0 HD13 LEU A 42 -13.722 -4.477 -3.431 1.00 72.14 H new ATOM 0 HD21 LEU A 42 -13.906 -2.819 -6.010 1.00 31.23 H new ATOM 0 HD22 LEU A 42 -12.491 -3.823 -5.612 1.00 31.23 H new ATOM 0 HD23 LEU A 42 -13.345 -4.060 -7.156 1.00 31.23 H new ATOM 681 N LYS A 43 -12.604 -8.592 -3.446 1.00 31.44 N ATOM 682 CA LYS A 43 -12.328 -9.981 -3.083 1.00 72.42 C ATOM 683 C LYS A 43 -13.318 -11.026 -3.614 1.00 45.30 C ATOM 684 O LYS A 43 -14.439 -11.137 -3.126 1.00 1.31 O ATOM 685 CB LYS A 43 -12.140 -10.115 -1.569 1.00 13.43 C ATOM 686 CG LYS A 43 -13.256 -9.515 -0.768 1.00 3.52 C ATOM 687 CD LYS A 43 -13.007 -9.616 0.708 1.00 33.35 C ATOM 688 CE LYS A 43 -13.092 -11.049 1.222 1.00 3.22 C ATOM 689 NZ LYS A 43 -14.452 -11.617 1.070 1.00 50.24 N ATOM 0 H LYS A 43 -13.109 -8.067 -2.732 1.00 31.44 H new ATOM 0 HA LYS A 43 -11.398 -10.218 -3.599 1.00 72.42 H new ATOM 0 HB2 LYS A 43 -12.049 -11.171 -1.315 1.00 13.43 H new ATOM 0 HB3 LYS A 43 -11.203 -9.637 -1.284 1.00 13.43 H new ATOM 0 HG2 LYS A 43 -13.378 -8.468 -1.044 1.00 3.52 H new ATOM 0 HG3 LYS A 43 -14.190 -10.020 -1.013 1.00 3.52 H new ATOM 0 HD2 LYS A 43 -12.021 -9.211 0.935 1.00 33.35 H new ATOM 0 HD3 LYS A 43 -13.734 -9.000 1.238 1.00 33.35 H new ATOM 0 HE2 LYS A 43 -12.378 -11.670 0.681 1.00 3.22 H new ATOM 0 HE3 LYS A 43 -12.805 -11.074 2.273 1.00 3.22 H new ATOM 0 HZ1 LYS A 43 -14.530 -12.486 1.636 1.00 50.24 H new ATOM 0 HZ2 LYS A 43 -15.156 -10.925 1.398 1.00 50.24 H new ATOM 0 HZ3 LYS A 43 -14.626 -11.839 0.069 1.00 50.24 H new ATOM 745 N ARG A 47 -13.418 -6.742 -10.378 1.00 14.40 N ATOM 746 CA ARG A 47 -12.546 -5.758 -10.943 1.00 5.54 C ATOM 747 C ARG A 47 -11.878 -4.942 -9.872 1.00 15.43 C ATOM 748 O ARG A 47 -12.104 -5.168 -8.675 1.00 35.30 O ATOM 749 CB ARG A 47 -13.241 -4.912 -12.051 1.00 53.45 C ATOM 750 CG ARG A 47 -14.691 -4.450 -11.775 1.00 60.32 C ATOM 751 CD ARG A 47 -14.852 -3.487 -10.604 1.00 62.32 C ATOM 752 NE ARG A 47 -14.173 -2.199 -10.818 1.00 20.31 N ATOM 753 CZ ARG A 47 -14.775 -0.989 -10.779 1.00 22.31 C ATOM 754 NH1 ARG A 47 -16.115 -0.894 -10.691 1.00 53.54 N ATOM 755 NH2 ARG A 47 -14.032 0.115 -10.851 1.00 11.21 N ATOM 0 HA ARG A 47 -11.744 -6.281 -11.463 1.00 5.54 H new ATOM 0 HB2 ARG A 47 -12.632 -4.026 -12.233 1.00 53.45 H new ATOM 0 HB3 ARG A 47 -13.240 -5.494 -12.972 1.00 53.45 H new ATOM 0 HG2 ARG A 47 -15.081 -3.973 -12.674 1.00 60.32 H new ATOM 0 HG3 ARG A 47 -15.307 -5.330 -11.589 1.00 60.32 H new ATOM 0 HD2 ARG A 47 -15.913 -3.307 -10.432 1.00 62.32 H new ATOM 0 HD3 ARG A 47 -14.458 -3.953 -9.701 1.00 62.32 H new ATOM 0 HE ARG A 47 -13.172 -2.221 -11.010 1.00 20.31 H new ATOM 0 HH11 ARG A 47 -16.685 -1.739 -10.653 1.00 53.54 H new ATOM 0 HH12 ARG A 47 -16.560 0.023 -10.662 1.00 53.54 H new ATOM 0 HH21 ARG A 47 -13.018 0.043 -10.935 1.00 11.21 H new ATOM 0 HH22 ARG A 47 -14.477 1.032 -10.822 1.00 11.21 H new ATOM 769 N GLN A 48 -11.032 -4.056 -10.270 1.00 75.43 N ATOM 770 CA GLN A 48 -10.338 -3.222 -9.337 1.00 51.21 C ATOM 771 C GLN A 48 -10.990 -1.862 -9.291 1.00 3.22 C ATOM 772 O GLN A 48 -11.571 -1.402 -10.287 1.00 44.24 O ATOM 773 CB GLN A 48 -8.833 -3.082 -9.696 1.00 62.43 C ATOM 774 CG GLN A 48 -8.507 -2.250 -10.945 1.00 55.52 C ATOM 775 CD GLN A 48 -9.096 -2.797 -12.235 1.00 31.13 C ATOM 776 OE1 GLN A 48 -9.268 -4.009 -12.396 1.00 13.12 O ATOM 777 NE2 GLN A 48 -9.436 -1.925 -13.138 1.00 24.42 N ATOM 0 H GLN A 48 -10.798 -3.885 -11.248 1.00 75.43 H new ATOM 0 HA GLN A 48 -10.397 -3.692 -8.356 1.00 51.21 H new ATOM 0 HB2 GLN A 48 -8.318 -2.637 -8.844 1.00 62.43 H new ATOM 0 HB3 GLN A 48 -8.419 -4.081 -9.833 1.00 62.43 H new ATOM 0 HG2 GLN A 48 -8.872 -1.234 -10.795 1.00 55.52 H new ATOM 0 HG3 GLN A 48 -7.424 -2.187 -11.052 1.00 55.52 H new ATOM 0 HE21 GLN A 48 -9.279 -0.931 -12.972 1.00 24.42 H new ATOM 0 HE22 GLN A 48 -9.859 -2.235 -14.013 1.00 24.42 H new ATOM 786 N VAL A 49 -10.926 -1.253 -8.162 1.00 0.10 N ATOM 787 CA VAL A 49 -11.421 0.073 -7.968 1.00 74.32 C ATOM 788 C VAL A 49 -10.289 0.937 -7.507 1.00 71.41 C ATOM 789 O VAL A 49 -9.288 0.435 -6.960 1.00 20.33 O ATOM 790 CB VAL A 49 -12.638 0.182 -6.974 1.00 12.24 C ATOM 791 CG1 VAL A 49 -13.866 -0.496 -7.534 1.00 0.20 C ATOM 792 CG2 VAL A 49 -12.316 -0.396 -5.610 1.00 0.23 C ATOM 0 H VAL A 49 -10.519 -1.668 -7.324 1.00 0.10 H new ATOM 0 HA VAL A 49 -11.815 0.409 -8.927 1.00 74.32 H new ATOM 0 HB VAL A 49 -12.841 1.246 -6.853 1.00 12.24 H new ATOM 0 HG11 VAL A 49 -14.688 -0.403 -6.824 1.00 0.20 H new ATOM 0 HG12 VAL A 49 -14.145 -0.024 -8.476 1.00 0.20 H new ATOM 0 HG13 VAL A 49 -13.653 -1.551 -7.706 1.00 0.20 H new ATOM 0 HG21 VAL A 49 -13.185 -0.298 -4.959 1.00 0.23 H new ATOM 0 HG22 VAL A 49 -12.057 -1.450 -5.713 1.00 0.23 H new ATOM 0 HG23 VAL A 49 -11.475 0.144 -5.175 1.00 0.23 H new ATOM 802 N CYS A 50 -10.415 2.182 -7.710 1.00 4.21 N ATOM 803 CA CYS A 50 -9.389 3.083 -7.332 1.00 73.21 C ATOM 804 C CYS A 50 -9.839 3.710 -6.063 1.00 74.13 C ATOM 805 O CYS A 50 -10.989 4.016 -5.925 1.00 14.40 O ATOM 806 CB CYS A 50 -9.216 4.120 -8.426 1.00 64.30 C ATOM 807 SG CYS A 50 -8.797 3.403 -10.051 1.00 1.04 S ATOM 0 H CYS A 50 -11.230 2.617 -8.143 1.00 4.21 H new ATOM 0 HA CYS A 50 -8.428 2.589 -7.192 1.00 73.21 H new ATOM 0 HB2 CYS A 50 -10.137 4.696 -8.519 1.00 64.30 H new ATOM 0 HB3 CYS A 50 -8.432 4.818 -8.133 1.00 64.30 H new ATOM 812 N ILE A 51 -8.967 3.858 -5.120 1.00 14.23 N ATOM 813 CA ILE A 51 -9.375 4.323 -3.829 1.00 30.13 C ATOM 814 C ILE A 51 -8.722 5.655 -3.513 1.00 21.54 C ATOM 815 O ILE A 51 -7.548 5.881 -3.828 1.00 61.45 O ATOM 816 CB ILE A 51 -9.027 3.284 -2.730 1.00 42.14 C ATOM 817 CG1 ILE A 51 -9.616 1.906 -3.055 1.00 74.43 C ATOM 818 CG2 ILE A 51 -9.550 3.737 -1.394 1.00 1.20 C ATOM 819 CD1 ILE A 51 -11.129 1.878 -3.125 1.00 61.34 C ATOM 0 H ILE A 51 -7.970 3.665 -5.215 1.00 14.23 H new ATOM 0 HA ILE A 51 -10.457 4.457 -3.846 1.00 30.13 H new ATOM 0 HB ILE A 51 -7.941 3.202 -2.693 1.00 42.14 H new ATOM 0 HG12 ILE A 51 -9.213 1.567 -4.009 1.00 74.43 H new ATOM 0 HG13 ILE A 51 -9.285 1.194 -2.299 1.00 74.43 H new ATOM 0 HG21 ILE A 51 -9.297 2.997 -0.635 1.00 1.20 H new ATOM 0 HG22 ILE A 51 -9.099 4.694 -1.132 1.00 1.20 H new ATOM 0 HG23 ILE A 51 -10.633 3.848 -1.446 1.00 1.20 H new ATOM 0 HD11 ILE A 51 -11.464 0.867 -3.359 1.00 61.34 H new ATOM 0 HD12 ILE A 51 -11.543 2.184 -2.164 1.00 61.34 H new ATOM 0 HD13 ILE A 51 -11.470 2.562 -3.902 1.00 61.34 H new ATOM 831 N ASP A 52 -9.480 6.525 -2.918 1.00 43.22 N ATOM 832 CA ASP A 52 -8.989 7.838 -2.566 1.00 31.24 C ATOM 833 C ASP A 52 -8.312 7.782 -1.200 1.00 11.23 C ATOM 834 O ASP A 52 -8.890 7.261 -0.247 1.00 72.55 O ATOM 835 CB ASP A 52 -10.142 8.822 -2.497 1.00 72.41 C ATOM 836 CG ASP A 52 -9.667 10.243 -2.460 1.00 65.54 C ATOM 837 OD1 ASP A 52 -9.353 10.739 -1.397 1.00 3.14 O ATOM 838 OD2 ASP A 52 -9.609 10.891 -3.525 1.00 23.23 O ATOM 0 H ASP A 52 -10.452 6.354 -2.661 1.00 43.22 H new ATOM 0 HA ASP A 52 -8.276 8.161 -3.324 1.00 31.24 H new ATOM 0 HB2 ASP A 52 -10.792 8.680 -3.360 1.00 72.41 H new ATOM 0 HB3 ASP A 52 -10.741 8.617 -1.610 1.00 72.41 H new ATOM 843 N PRO A 53 -7.083 8.304 -1.073 1.00 43.34 N ATOM 844 CA PRO A 53 -6.361 8.304 0.204 1.00 44.25 C ATOM 845 C PRO A 53 -6.844 9.394 1.190 1.00 75.21 C ATOM 846 O PRO A 53 -6.174 9.688 2.183 1.00 1.32 O ATOM 847 CB PRO A 53 -4.908 8.535 -0.206 1.00 12.52 C ATOM 848 CG PRO A 53 -4.981 9.287 -1.490 1.00 71.02 C ATOM 849 CD PRO A 53 -6.283 8.903 -2.157 1.00 31.03 C ATOM 0 HA PRO A 53 -6.521 7.374 0.749 1.00 44.25 H new ATOM 0 HB2 PRO A 53 -4.370 9.103 0.553 1.00 12.52 H new ATOM 0 HB3 PRO A 53 -4.379 7.590 -0.332 1.00 12.52 H new ATOM 0 HG2 PRO A 53 -4.943 10.361 -1.310 1.00 71.02 H new ATOM 0 HG3 PRO A 53 -4.133 9.041 -2.129 1.00 71.02 H new ATOM 0 HD2 PRO A 53 -6.782 9.772 -2.586 1.00 31.03 H new ATOM 0 HD3 PRO A 53 -6.120 8.195 -2.970 1.00 31.03 H new ATOM 857 N LYS A 54 -7.982 9.997 0.905 1.00 11.24 N ATOM 858 CA LYS A 54 -8.572 10.959 1.809 1.00 43.02 C ATOM 859 C LYS A 54 -9.858 10.409 2.400 1.00 30.12 C ATOM 860 O LYS A 54 -10.648 11.137 2.945 1.00 14.14 O ATOM 861 CB LYS A 54 -8.852 12.286 1.111 1.00 20.55 C ATOM 862 CG LYS A 54 -7.622 12.956 0.518 1.00 3.53 C ATOM 863 CD LYS A 54 -7.954 14.315 -0.098 1.00 21.10 C ATOM 864 CE LYS A 54 -9.072 14.228 -1.135 1.00 54.44 C ATOM 865 NZ LYS A 54 -8.782 13.244 -2.191 1.00 32.12 N ATOM 0 H LYS A 54 -8.516 9.835 0.051 1.00 11.24 H new ATOM 0 HA LYS A 54 -7.854 11.141 2.609 1.00 43.02 H new ATOM 0 HB2 LYS A 54 -9.578 12.118 0.316 1.00 20.55 H new ATOM 0 HB3 LYS A 54 -9.313 12.968 1.825 1.00 20.55 H new ATOM 0 HG2 LYS A 54 -6.868 13.084 1.295 1.00 3.53 H new ATOM 0 HG3 LYS A 54 -7.188 12.309 -0.244 1.00 3.53 H new ATOM 0 HD2 LYS A 54 -8.248 15.006 0.692 1.00 21.10 H new ATOM 0 HD3 LYS A 54 -7.060 14.727 -0.566 1.00 21.10 H new ATOM 0 HE2 LYS A 54 -10.005 13.960 -0.638 1.00 54.44 H new ATOM 0 HE3 LYS A 54 -9.222 15.209 -1.587 1.00 54.44 H new ATOM 0 HZ1 LYS A 54 -9.561 13.234 -2.879 1.00 32.12 H new ATOM 0 HZ2 LYS A 54 -7.898 13.503 -2.673 1.00 32.12 H new ATOM 0 HZ3 LYS A 54 -8.682 12.299 -1.767 1.00 32.12 H new ATOM 879 N LEU A 55 -10.073 9.122 2.257 1.00 15.32 N ATOM 880 CA LEU A 55 -11.203 8.451 2.890 1.00 1.40 C ATOM 881 C LEU A 55 -11.113 8.442 4.425 1.00 25.20 C ATOM 882 O LEU A 55 -10.476 9.283 5.032 1.00 42.31 O ATOM 883 CB LEU A 55 -11.263 7.034 2.374 1.00 4.54 C ATOM 884 CG LEU A 55 -11.762 6.891 0.970 1.00 71.41 C ATOM 885 CD1 LEU A 55 -11.712 5.455 0.543 1.00 73.34 C ATOM 886 CD2 LEU A 55 -13.170 7.397 0.900 1.00 42.33 C ATOM 0 H LEU A 55 -9.478 8.506 1.703 1.00 15.32 H new ATOM 0 HA LEU A 55 -12.108 9.004 2.636 1.00 1.40 H new ATOM 0 HB2 LEU A 55 -10.265 6.599 2.435 1.00 4.54 H new ATOM 0 HB3 LEU A 55 -11.906 6.451 3.033 1.00 4.54 H new ATOM 0 HG LEU A 55 -11.128 7.471 0.299 1.00 71.41 H new ATOM 0 HD11 LEU A 55 -12.078 5.367 -0.480 1.00 73.34 H new ATOM 0 HD12 LEU A 55 -10.684 5.096 0.593 1.00 73.34 H new ATOM 0 HD13 LEU A 55 -12.338 4.857 1.205 1.00 73.34 H new ATOM 0 HD21 LEU A 55 -13.542 7.297 -0.120 1.00 42.33 H new ATOM 0 HD22 LEU A 55 -13.799 6.817 1.575 1.00 42.33 H new ATOM 0 HD23 LEU A 55 -13.195 8.446 1.194 1.00 42.33 H new ATOM 898 N LYS A 56 -11.839 7.545 5.045 1.00 42.10 N ATOM 899 CA LYS A 56 -11.721 7.366 6.463 1.00 63.44 C ATOM 900 C LYS A 56 -11.039 6.044 6.740 1.00 1.24 C ATOM 901 O LYS A 56 -10.107 5.967 7.538 1.00 53.22 O ATOM 902 CB LYS A 56 -13.073 7.403 7.148 1.00 74.33 C ATOM 903 CG LYS A 56 -12.959 7.361 8.658 1.00 41.45 C ATOM 904 CD LYS A 56 -14.308 7.349 9.308 1.00 63.40 C ATOM 905 CE LYS A 56 -14.197 7.389 10.822 1.00 14.12 C ATOM 906 NZ LYS A 56 -13.408 6.257 11.347 1.00 53.12 N ATOM 0 H LYS A 56 -12.514 6.932 4.589 1.00 42.10 H new ATOM 0 HA LYS A 56 -11.128 8.188 6.864 1.00 63.44 H new ATOM 0 HB2 LYS A 56 -13.602 8.309 6.852 1.00 74.33 H new ATOM 0 HB3 LYS A 56 -13.672 6.558 6.808 1.00 74.33 H new ATOM 0 HG2 LYS A 56 -12.401 6.474 8.958 1.00 41.45 H new ATOM 0 HG3 LYS A 56 -12.394 8.226 9.006 1.00 41.45 H new ATOM 0 HD2 LYS A 56 -14.887 8.205 8.962 1.00 63.40 H new ATOM 0 HD3 LYS A 56 -14.851 6.453 9.006 1.00 63.40 H new ATOM 0 HE2 LYS A 56 -13.733 8.327 11.127 1.00 14.12 H new ATOM 0 HE3 LYS A 56 -15.195 7.370 11.260 1.00 14.12 H new ATOM 0 HZ1 LYS A 56 -13.537 6.192 12.377 1.00 53.12 H new ATOM 0 HZ2 LYS A 56 -13.729 5.374 10.902 1.00 53.12 H new ATOM 0 HZ3 LYS A 56 -12.401 6.406 11.133 1.00 53.12 H new ATOM 920 N TRP A 57 -11.483 5.002 6.044 1.00 15.04 N ATOM 921 CA TRP A 57 -10.940 3.674 6.257 1.00 31.15 C ATOM 922 C TRP A 57 -9.494 3.542 5.793 1.00 72.42 C ATOM 923 O TRP A 57 -8.749 2.729 6.325 1.00 5.01 O ATOM 924 CB TRP A 57 -11.848 2.556 5.711 1.00 41.42 C ATOM 925 CG TRP A 57 -12.153 2.581 4.232 1.00 54.13 C ATOM 926 CD1 TRP A 57 -13.156 3.271 3.609 1.00 0.24 C ATOM 927 CD2 TRP A 57 -11.476 1.844 3.199 1.00 52.14 C ATOM 928 NE1 TRP A 57 -13.142 3.005 2.266 1.00 10.05 N ATOM 929 CE2 TRP A 57 -12.123 2.135 1.988 1.00 60.21 C ATOM 930 CE3 TRP A 57 -10.384 0.964 3.186 1.00 52.45 C ATOM 931 CZ2 TRP A 57 -11.722 1.586 0.777 1.00 33.53 C ATOM 932 CZ3 TRP A 57 -9.988 0.418 1.977 1.00 21.41 C ATOM 933 CH2 TRP A 57 -10.658 0.731 0.789 1.00 24.43 C ATOM 0 H TRP A 57 -12.213 5.055 5.333 1.00 15.04 H new ATOM 0 HA TRP A 57 -10.920 3.536 7.338 1.00 31.15 H new ATOM 0 HB2 TRP A 57 -11.384 1.598 5.945 1.00 41.42 H new ATOM 0 HB3 TRP A 57 -12.793 2.593 6.252 1.00 41.42 H new ATOM 0 HD1 TRP A 57 -13.856 3.929 4.103 1.00 0.24 H new ATOM 0 HE1 TRP A 57 -13.789 3.394 1.580 1.00 10.05 H new ATOM 0 HE3 TRP A 57 -9.863 0.718 4.100 1.00 52.45 H new ATOM 0 HZ2 TRP A 57 -12.234 1.827 -0.143 1.00 33.53 H new ATOM 0 HZ3 TRP A 57 -9.148 -0.261 1.950 1.00 21.41 H new ATOM 0 HH2 TRP A 57 -10.326 0.287 -0.138 1.00 24.43 H new ATOM 944 N ILE A 58 -9.096 4.345 4.812 1.00 24.10 N ATOM 945 CA ILE A 58 -7.704 4.350 4.364 1.00 24.42 C ATOM 946 C ILE A 58 -6.817 4.955 5.430 1.00 63.01 C ATOM 947 O ILE A 58 -5.709 4.486 5.662 1.00 15.35 O ATOM 948 CB ILE A 58 -7.499 5.110 3.010 1.00 72.25 C ATOM 949 CG1 ILE A 58 -8.202 4.380 1.875 1.00 12.02 C ATOM 950 CG2 ILE A 58 -6.012 5.290 2.679 1.00 63.11 C ATOM 951 CD1 ILE A 58 -7.703 2.970 1.669 1.00 32.42 C ATOM 0 H ILE A 58 -9.707 4.994 4.316 1.00 24.10 H new ATOM 0 HA ILE A 58 -7.427 3.310 4.191 1.00 24.42 H new ATOM 0 HB ILE A 58 -7.939 6.101 3.124 1.00 72.25 H new ATOM 0 HG12 ILE A 58 -9.272 4.353 2.078 1.00 12.02 H new ATOM 0 HG13 ILE A 58 -8.067 4.944 0.952 1.00 12.02 H new ATOM 0 HG21 ILE A 58 -5.912 5.821 1.733 1.00 63.11 H new ATOM 0 HG22 ILE A 58 -5.530 5.864 3.470 1.00 63.11 H new ATOM 0 HG23 ILE A 58 -5.536 4.313 2.599 1.00 63.11 H new ATOM 0 HD11 ILE A 58 -8.247 2.508 0.845 1.00 32.42 H new ATOM 0 HD12 ILE A 58 -6.639 2.991 1.435 1.00 32.42 H new ATOM 0 HD13 ILE A 58 -7.863 2.391 2.579 1.00 32.42 H new ATOM 963 N GLN A 59 -7.325 5.958 6.101 1.00 51.35 N ATOM 964 CA GLN A 59 -6.570 6.659 7.110 1.00 14.10 C ATOM 965 C GLN A 59 -6.272 5.700 8.235 1.00 51.32 C ATOM 966 O GLN A 59 -5.148 5.601 8.703 1.00 21.22 O ATOM 967 CB GLN A 59 -7.353 7.849 7.656 1.00 31.40 C ATOM 968 CG GLN A 59 -8.150 8.629 6.617 1.00 41.21 C ATOM 969 CD GLN A 59 -7.416 8.913 5.312 1.00 45.20 C ATOM 970 OE1 GLN A 59 -7.484 8.125 4.376 1.00 11.21 O ATOM 971 NE2 GLN A 59 -6.759 10.007 5.232 1.00 32.25 N ATOM 0 H GLN A 59 -8.272 6.312 5.964 1.00 51.35 H new ATOM 0 HA GLN A 59 -5.648 7.035 6.666 1.00 14.10 H new ATOM 0 HB2 GLN A 59 -8.039 7.492 8.424 1.00 31.40 H new ATOM 0 HB3 GLN A 59 -6.656 8.530 8.143 1.00 31.40 H new ATOM 0 HG2 GLN A 59 -9.060 8.074 6.389 1.00 41.21 H new ATOM 0 HG3 GLN A 59 -8.457 9.578 7.056 1.00 41.21 H new ATOM 0 HE21 GLN A 59 -6.723 10.640 6.031 1.00 32.25 H new ATOM 0 HE22 GLN A 59 -6.270 10.247 4.369 1.00 32.25 H new ATOM 980 N GLU A 60 -7.296 4.971 8.635 1.00 75.43 N ATOM 981 CA GLU A 60 -7.181 3.958 9.650 1.00 70.32 C ATOM 982 C GLU A 60 -6.256 2.844 9.182 1.00 44.04 C ATOM 983 O GLU A 60 -5.476 2.304 9.952 1.00 33.53 O ATOM 984 CB GLU A 60 -8.553 3.378 9.942 1.00 15.42 C ATOM 985 CG GLU A 60 -9.549 4.369 10.493 1.00 1.41 C ATOM 986 CD GLU A 60 -9.089 4.954 11.794 1.00 62.30 C ATOM 987 OE1 GLU A 60 -9.101 4.237 12.807 1.00 40.14 O ATOM 988 OE2 GLU A 60 -8.732 6.144 11.831 1.00 5.03 O ATOM 0 H GLU A 60 -8.238 5.071 8.257 1.00 75.43 H new ATOM 0 HA GLU A 60 -6.768 4.409 10.552 1.00 70.32 H new ATOM 0 HB2 GLU A 60 -8.955 2.951 9.024 1.00 15.42 H new ATOM 0 HB3 GLU A 60 -8.443 2.559 10.653 1.00 15.42 H new ATOM 0 HG2 GLU A 60 -9.704 5.169 9.769 1.00 1.41 H new ATOM 0 HG3 GLU A 60 -10.511 3.877 10.635 1.00 1.41 H new ATOM 995 N TYR A 61 -6.352 2.529 7.897 1.00 44.43 N ATOM 996 CA TYR A 61 -5.583 1.465 7.277 1.00 64.24 C ATOM 997 C TYR A 61 -4.090 1.807 7.353 1.00 53.33 C ATOM 998 O TYR A 61 -3.269 0.965 7.712 1.00 44.31 O ATOM 999 CB TYR A 61 -6.012 1.335 5.809 1.00 13.24 C ATOM 1000 CG TYR A 61 -5.799 -0.020 5.194 1.00 51.11 C ATOM 1001 CD1 TYR A 61 -4.538 -0.513 4.916 1.00 13.01 C ATOM 1002 CD2 TYR A 61 -6.892 -0.815 4.904 1.00 13.41 C ATOM 1003 CE1 TYR A 61 -4.376 -1.768 4.358 1.00 44.24 C ATOM 1004 CE2 TYR A 61 -6.753 -2.062 4.351 1.00 44.11 C ATOM 1005 CZ TYR A 61 -5.489 -2.541 4.077 1.00 33.54 C ATOM 1006 OH TYR A 61 -5.338 -3.790 3.519 1.00 52.01 O ATOM 0 H TYR A 61 -6.975 3.013 7.250 1.00 44.43 H new ATOM 0 HA TYR A 61 -5.761 0.523 7.796 1.00 64.24 H new ATOM 0 HB2 TYR A 61 -7.070 1.588 5.733 1.00 13.24 H new ATOM 0 HB3 TYR A 61 -5.465 2.072 5.221 1.00 13.24 H new ATOM 0 HD1 TYR A 61 -3.669 0.089 5.137 1.00 13.01 H new ATOM 0 HD2 TYR A 61 -7.883 -0.444 5.119 1.00 13.41 H new ATOM 0 HE1 TYR A 61 -3.386 -2.143 4.143 1.00 44.24 H new ATOM 0 HE2 TYR A 61 -7.624 -2.662 4.132 1.00 44.11 H new ATOM 0 HH TYR A 61 -6.219 -4.198 3.387 1.00 52.01 H new ATOM 1016 N LEU A 62 -3.764 3.049 7.023 1.00 72.21 N ATOM 1017 CA LEU A 62 -2.392 3.535 7.072 1.00 3.24 C ATOM 1018 C LEU A 62 -1.930 3.620 8.510 1.00 34.04 C ATOM 1019 O LEU A 62 -0.881 3.087 8.857 1.00 31.51 O ATOM 1020 CB LEU A 62 -2.282 4.905 6.401 1.00 64.11 C ATOM 1021 CG LEU A 62 -2.713 4.965 4.937 1.00 43.13 C ATOM 1022 CD1 LEU A 62 -2.621 6.387 4.409 1.00 12.35 C ATOM 1023 CD2 LEU A 62 -1.879 4.021 4.077 1.00 23.21 C ATOM 0 H LEU A 62 -4.441 3.747 6.715 1.00 72.21 H new ATOM 0 HA LEU A 62 -1.754 2.836 6.531 1.00 3.24 H new ATOM 0 HB2 LEU A 62 -2.885 5.615 6.967 1.00 64.11 H new ATOM 0 HB3 LEU A 62 -1.247 5.240 6.469 1.00 64.11 H new ATOM 0 HG LEU A 62 -3.752 4.641 4.882 1.00 43.13 H new ATOM 0 HD11 LEU A 62 -2.932 6.408 3.365 1.00 12.35 H new ATOM 0 HD12 LEU A 62 -3.272 7.036 4.995 1.00 12.35 H new ATOM 0 HD13 LEU A 62 -1.592 6.739 4.488 1.00 12.35 H new ATOM 0 HD21 LEU A 62 -2.209 4.086 3.040 1.00 23.21 H new ATOM 0 HD22 LEU A 62 -0.828 4.303 4.141 1.00 23.21 H new ATOM 0 HD23 LEU A 62 -2.003 2.999 4.434 1.00 23.21 H new ATOM 1035 N GLU A 63 -2.738 4.269 9.349 1.00 51.30 N ATOM 1036 CA GLU A 63 -2.447 4.376 10.781 1.00 22.22 C ATOM 1037 C GLU A 63 -2.164 3.013 11.449 1.00 15.23 C ATOM 1038 O GLU A 63 -1.135 2.858 12.108 1.00 4.34 O ATOM 1039 CB GLU A 63 -3.587 5.105 11.505 1.00 0.14 C ATOM 1040 CG GLU A 63 -3.591 6.611 11.306 1.00 21.34 C ATOM 1041 CD GLU A 63 -2.412 7.264 11.984 1.00 22.14 C ATOM 1042 OE1 GLU A 63 -2.395 7.314 13.239 1.00 64.42 O ATOM 1043 OE2 GLU A 63 -1.509 7.749 11.298 1.00 14.22 O ATOM 0 H GLU A 63 -3.601 4.730 9.062 1.00 51.30 H new ATOM 0 HA GLU A 63 -1.529 4.958 10.869 1.00 22.22 H new ATOM 0 HB2 GLU A 63 -4.539 4.702 11.158 1.00 0.14 H new ATOM 0 HB3 GLU A 63 -3.520 4.891 12.572 1.00 0.14 H new ATOM 0 HG2 GLU A 63 -3.570 6.838 10.240 1.00 21.34 H new ATOM 0 HG3 GLU A 63 -4.517 7.029 11.702 1.00 21.34 H new ATOM 1050 N LYS A 64 -3.026 2.018 11.238 1.00 10.22 N ATOM 1051 CA LYS A 64 -2.866 0.700 11.903 1.00 70.21 C ATOM 1052 C LYS A 64 -1.611 -0.030 11.436 1.00 63.44 C ATOM 1053 O LYS A 64 -1.116 -0.936 12.098 1.00 33.21 O ATOM 1054 CB LYS A 64 -4.137 -0.184 11.716 1.00 54.31 C ATOM 1055 CG LYS A 64 -4.465 -0.665 10.268 1.00 14.10 C ATOM 1056 CD LYS A 64 -3.598 -1.844 9.776 1.00 4.20 C ATOM 1057 CE LYS A 64 -3.804 -3.101 10.622 1.00 31.32 C ATOM 1058 NZ LYS A 64 -5.185 -3.657 10.514 1.00 61.22 N ATOM 0 H LYS A 64 -3.836 2.085 10.622 1.00 10.22 H new ATOM 0 HA LYS A 64 -2.744 0.893 12.969 1.00 70.21 H new ATOM 0 HB2 LYS A 64 -4.032 -1.065 12.349 1.00 54.31 H new ATOM 0 HB3 LYS A 64 -4.995 0.375 12.089 1.00 54.31 H new ATOM 0 HG2 LYS A 64 -5.514 -0.958 10.224 1.00 14.10 H new ATOM 0 HG3 LYS A 64 -4.340 0.173 9.583 1.00 14.10 H new ATOM 0 HD2 LYS A 64 -3.841 -2.063 8.736 1.00 4.20 H new ATOM 0 HD3 LYS A 64 -2.547 -1.557 9.804 1.00 4.20 H new ATOM 0 HE2 LYS A 64 -3.087 -3.862 10.313 1.00 31.32 H new ATOM 0 HE3 LYS A 64 -3.592 -2.869 11.666 1.00 31.32 H new ATOM 0 HZ1 LYS A 64 -5.413 -4.190 11.377 1.00 61.22 H new ATOM 0 HZ2 LYS A 64 -5.865 -2.878 10.398 1.00 61.22 H new ATOM 0 HZ3 LYS A 64 -5.241 -4.290 9.691 1.00 61.22 H new ATOM 1072 N CYS A 65 -1.120 0.380 10.307 1.00 55.11 N ATOM 1073 CA CYS A 65 0.044 -0.242 9.681 1.00 43.03 C ATOM 1074 C CYS A 65 1.344 0.208 10.363 1.00 22.32 C ATOM 1075 O CYS A 65 2.333 -0.512 10.350 1.00 31.11 O ATOM 1076 CB CYS A 65 0.063 0.032 8.153 1.00 12.02 C ATOM 1077 SG CYS A 65 1.450 -0.741 7.227 1.00 43.14 S ATOM 0 H CYS A 65 -1.507 1.161 9.777 1.00 55.11 H new ATOM 0 HA CYS A 65 -0.031 -1.321 9.815 1.00 43.03 H new ATOM 0 HB2 CYS A 65 -0.876 -0.320 7.727 1.00 12.02 H new ATOM 0 HB3 CYS A 65 0.100 1.110 7.995 1.00 12.02 H new ATOM 1082 N LEU A 66 1.311 1.402 10.991 1.00 33.35 N ATOM 1083 CA LEU A 66 2.471 1.932 11.736 1.00 42.22 C ATOM 1084 C LEU A 66 2.946 0.971 12.801 1.00 21.21 C ATOM 1085 O LEU A 66 4.125 0.624 12.846 1.00 70.13 O ATOM 1086 CB LEU A 66 2.175 3.312 12.391 1.00 22.55 C ATOM 1087 CG LEU A 66 2.385 4.581 11.544 1.00 3.51 C ATOM 1088 CD1 LEU A 66 3.844 4.719 11.190 1.00 33.11 C ATOM 1089 CD2 LEU A 66 1.538 4.575 10.292 1.00 55.31 C ATOM 0 H LEU A 66 0.496 2.015 10.997 1.00 33.35 H new ATOM 0 HA LEU A 66 3.260 2.061 10.995 1.00 42.22 H new ATOM 0 HB2 LEU A 66 1.138 3.305 12.728 1.00 22.55 H new ATOM 0 HB3 LEU A 66 2.799 3.399 13.281 1.00 22.55 H new ATOM 0 HG LEU A 66 2.070 5.437 12.141 1.00 3.51 H new ATOM 0 HD11 LEU A 66 3.990 5.618 10.591 1.00 33.11 H new ATOM 0 HD12 LEU A 66 4.435 4.792 12.103 1.00 33.11 H new ATOM 0 HD13 LEU A 66 4.164 3.847 10.620 1.00 33.11 H new ATOM 0 HD21 LEU A 66 1.719 5.489 9.726 1.00 55.31 H new ATOM 0 HD22 LEU A 66 1.799 3.712 9.680 1.00 55.31 H new ATOM 0 HD23 LEU A 66 0.484 4.520 10.566 1.00 55.31 H new ATOM 1101 N ASN A 67 2.008 0.557 13.653 1.00 0.11 N ATOM 1102 CA ASN A 67 2.261 -0.337 14.801 1.00 14.34 C ATOM 1103 C ASN A 67 1.062 -0.239 15.694 1.00 2.22 C ATOM 1104 O ASN A 67 0.576 -1.223 16.251 1.00 64.54 O ATOM 1105 CB ASN A 67 3.494 0.123 15.610 1.00 71.11 C ATOM 1106 CG ASN A 67 3.909 -0.891 16.644 1.00 3.33 C ATOM 1107 OD1 ASN A 67 4.725 -1.773 16.366 1.00 4.04 O ATOM 1108 ND2 ASN A 67 3.385 -0.780 17.830 1.00 74.52 N ATOM 0 H ASN A 67 1.030 0.835 13.570 1.00 0.11 H new ATOM 0 HA ASN A 67 2.442 -1.350 14.443 1.00 14.34 H new ATOM 0 HB2 ASN A 67 4.325 0.306 14.929 1.00 71.11 H new ATOM 0 HB3 ASN A 67 3.271 1.070 16.102 1.00 71.11 H new ATOM 0 HD21 ASN A 67 3.646 -1.436 18.566 1.00 74.52 H new ATOM 0 HD22 ASN A 67 2.713 -0.037 18.023 1.00 74.52 H new ATOM 1404 N GLY B 119 -15.631 6.251 -10.959 1.00 2.22 N ATOM 1405 CA GLY B 119 -16.604 7.234 -10.519 1.00 54.14 C ATOM 1406 C GLY B 119 -17.807 6.462 -10.074 1.00 11.25 C ATOM 1407 O GLY B 119 -18.958 6.813 -10.343 1.00 71.43 O ATOM 0 HA2 GLY B 119 -16.206 7.838 -9.704 1.00 54.14 H new ATOM 0 HA3 GLY B 119 -16.858 7.919 -11.328 1.00 54.14 H new ATOM 1411 N ASP B 120 -17.497 5.397 -9.385 1.00 73.10 N ATOM 1412 CA ASP B 120 -18.420 4.334 -9.079 1.00 5.01 C ATOM 1413 C ASP B 120 -19.121 4.545 -7.749 1.00 44.23 C ATOM 1414 O ASP B 120 -20.311 4.829 -7.702 1.00 54.33 O ATOM 1415 CB ASP B 120 -17.597 3.091 -8.988 1.00 62.43 C ATOM 1416 CG ASP B 120 -18.336 1.814 -9.278 1.00 13.14 C ATOM 1417 OD1 ASP B 120 -19.263 1.446 -8.532 1.00 60.34 O ATOM 1418 OD2 ASP B 120 -17.955 1.131 -10.263 1.00 32.51 O ATOM 0 H ASP B 120 -16.563 5.239 -9.008 1.00 73.10 H new ATOM 0 HA ASP B 120 -19.193 4.287 -9.846 1.00 5.01 H new ATOM 0 HB2 ASP B 120 -16.762 3.175 -9.683 1.00 62.43 H new ATOM 0 HB3 ASP B 120 -17.173 3.027 -7.986 1.00 62.43 H new ATOM 1447 N ASP B 122 -19.523 6.870 -5.166 1.00 2.13 N ATOM 1448 CA ASP B 122 -19.405 8.318 -4.855 1.00 24.13 C ATOM 1449 C ASP B 122 -18.231 8.916 -5.584 1.00 32.33 C ATOM 1450 O ASP B 122 -18.380 9.800 -6.421 1.00 75.25 O ATOM 1451 CB ASP B 122 -19.285 8.604 -3.366 1.00 12.03 C ATOM 1452 CG ASP B 122 -20.518 8.266 -2.566 1.00 23.33 C ATOM 1453 OD1 ASP B 122 -20.654 7.111 -2.146 1.00 52.04 O ATOM 1454 OD2 ASP B 122 -21.348 9.161 -2.309 1.00 40.33 O ATOM 0 HA ASP B 122 -20.331 8.781 -5.195 1.00 24.13 H new ATOM 0 HB2 ASP B 122 -18.442 8.040 -2.967 1.00 12.03 H new ATOM 0 HB3 ASP B 122 -19.056 9.661 -3.229 1.00 12.03 H new ATOM 1459 N SER B 123 -17.061 8.437 -5.228 1.00 22.44 N ATOM 1460 CA SER B 123 -15.832 8.747 -5.874 1.00 75.52 C ATOM 1461 C SER B 123 -15.313 10.167 -5.540 1.00 30.41 C ATOM 1462 O SER B 123 -14.391 10.684 -6.170 1.00 54.42 O ATOM 1463 CB SER B 123 -15.932 8.365 -7.382 1.00 20.14 C ATOM 1464 OG SER B 123 -14.782 8.694 -8.128 1.00 3.31 O ATOM 0 H SER B 123 -16.949 7.794 -4.445 1.00 22.44 H new ATOM 0 HA SER B 123 -15.028 8.131 -5.471 1.00 75.52 H new ATOM 0 HB2 SER B 123 -16.114 7.293 -7.465 1.00 20.14 H new ATOM 0 HB3 SER B 123 -16.794 8.869 -7.819 1.00 20.14 H new ATOM 0 HG SER B 123 -14.017 8.793 -7.523 1.00 3.31 H new ATOM 1470 N MET B 124 -15.879 10.751 -4.506 1.00 63.42 N ATOM 1471 CA MET B 124 -15.424 12.029 -3.976 1.00 13.24 C ATOM 1472 C MET B 124 -15.432 11.966 -2.464 1.00 11.35 C ATOM 1473 O MET B 124 -16.414 11.501 -1.879 1.00 60.22 O ATOM 1474 CB MET B 124 -16.312 13.184 -4.447 1.00 24.25 C ATOM 1475 CG MET B 124 -16.290 13.423 -5.939 1.00 24.24 C ATOM 1476 SD MET B 124 -17.366 14.773 -6.449 1.00 70.24 S ATOM 1477 CE MET B 124 -18.945 14.164 -5.870 1.00 71.24 C ATOM 0 H MET B 124 -16.673 10.354 -4.003 1.00 63.42 H new ATOM 0 HA MET B 124 -14.415 12.214 -4.344 1.00 13.24 H new ATOM 0 HB2 MET B 124 -17.338 12.986 -4.139 1.00 24.25 H new ATOM 0 HB3 MET B 124 -15.998 14.097 -3.941 1.00 24.25 H new ATOM 0 HG2 MET B 124 -15.269 13.641 -6.252 1.00 24.24 H new ATOM 0 HG3 MET B 124 -16.593 12.510 -6.452 1.00 24.24 H new ATOM 0 HE1 MET B 124 -19.724 14.438 -6.582 1.00 71.24 H new ATOM 0 HE2 MET B 124 -18.904 13.079 -5.777 1.00 71.24 H new ATOM 0 HE3 MET B 124 -19.170 14.603 -4.898 1.00 71.24 H new ATOM 1487 N LYS B 125 -14.320 12.365 -1.840 1.00 62.42 N ATOM 1488 CA LYS B 125 -14.192 12.428 -0.380 1.00 10.32 C ATOM 1489 C LYS B 125 -13.085 13.367 0.090 1.00 52.33 C ATOM 1490 O LYS B 125 -12.245 13.818 -0.697 1.00 35.30 O ATOM 1491 CB LYS B 125 -13.999 11.043 0.266 1.00 4.24 C ATOM 1492 CG LYS B 125 -15.280 10.330 0.672 1.00 24.22 C ATOM 1493 CD LYS B 125 -15.944 11.078 1.809 1.00 73.11 C ATOM 1494 CE LYS B 125 -15.127 11.021 3.095 1.00 41.54 C ATOM 1495 NZ LYS B 125 -15.703 11.886 4.134 1.00 55.21 N ATOM 0 H LYS B 125 -13.477 12.655 -2.336 1.00 62.42 H new ATOM 0 HA LYS B 125 -15.146 12.836 -0.045 1.00 10.32 H new ATOM 0 HB2 LYS B 125 -13.455 10.407 -0.433 1.00 4.24 H new ATOM 0 HB3 LYS B 125 -13.371 11.157 1.149 1.00 4.24 H new ATOM 0 HG2 LYS B 125 -15.958 10.267 -0.179 1.00 24.22 H new ATOM 0 HG3 LYS B 125 -15.057 9.308 0.978 1.00 24.22 H new ATOM 0 HD2 LYS B 125 -16.090 12.119 1.520 1.00 73.11 H new ATOM 0 HD3 LYS B 125 -16.932 10.656 1.990 1.00 73.11 H new ATOM 0 HE2 LYS B 125 -15.086 9.994 3.456 1.00 41.54 H new ATOM 0 HE3 LYS B 125 -14.101 11.329 2.890 1.00 41.54 H new ATOM 0 HZ1 LYS B 125 -15.001 12.041 4.885 1.00 55.21 H new ATOM 0 HZ2 LYS B 125 -15.971 12.800 3.716 1.00 55.21 H new ATOM 0 HZ3 LYS B 125 -16.546 11.430 4.538 1.00 55.21 H new ATOM 1509 N GLU B 126 -13.131 13.660 1.378 1.00 23.41 N ATOM 1510 CA GLU B 126 -12.158 14.450 2.109 1.00 22.44 C ATOM 1511 C GLU B 126 -11.916 13.718 3.443 1.00 61.53 C ATOM 1512 O GLU B 126 -12.819 12.984 3.896 1.00 54.42 O ATOM 1513 CB GLU B 126 -12.689 15.887 2.375 1.00 21.24 C ATOM 1514 CG GLU B 126 -13.973 15.986 3.224 1.00 15.14 C ATOM 1515 CD GLU B 126 -15.197 15.402 2.557 1.00 74.50 C ATOM 1516 OE1 GLU B 126 -15.809 16.092 1.717 1.00 42.30 O ATOM 1517 OE2 GLU B 126 -15.565 14.243 2.862 1.00 20.41 O ATOM 0 H GLU B 126 -13.892 13.334 1.974 1.00 23.41 H new ATOM 0 HA GLU B 126 -11.237 14.553 1.535 1.00 22.44 H new ATOM 0 HB2 GLU B 126 -11.904 16.457 2.871 1.00 21.24 H new ATOM 0 HB3 GLU B 126 -12.874 16.368 1.415 1.00 21.24 H new ATOM 0 HG2 GLU B 126 -13.810 15.474 4.172 1.00 15.14 H new ATOM 0 HG3 GLU B 126 -14.163 17.034 3.456 1.00 15.14 H new ATOM 1524 N PRO B 127 -10.728 13.873 4.097 1.00 12.44 N ATOM 1525 CA PRO B 127 -10.403 13.122 5.307 1.00 11.41 C ATOM 1526 C PRO B 127 -11.377 13.367 6.434 1.00 0.21 C ATOM 1527 O PRO B 127 -11.756 14.518 6.736 1.00 3.12 O ATOM 1528 CB PRO B 127 -9.012 13.624 5.698 1.00 43.00 C ATOM 1529 CG PRO B 127 -8.919 14.941 5.047 1.00 15.25 C ATOM 1530 CD PRO B 127 -9.621 14.768 3.737 1.00 14.13 C ATOM 0 HA PRO B 127 -10.448 12.049 5.121 1.00 11.41 H new ATOM 0 HB2 PRO B 127 -8.905 13.704 6.780 1.00 43.00 H new ATOM 0 HB3 PRO B 127 -8.230 12.949 5.349 1.00 43.00 H new ATOM 0 HG2 PRO B 127 -9.392 15.715 5.651 1.00 15.25 H new ATOM 0 HG3 PRO B 127 -7.880 15.239 4.903 1.00 15.25 H new ATOM 0 HD2 PRO B 127 -9.978 15.717 3.337 1.00 14.13 H new ATOM 0 HD3 PRO B 127 -8.971 14.328 2.981 1.00 14.13 H new ATOM 1855 N CYS C 209 1.265 -15.316 6.505 1.00 13.20 N ATOM 1856 CA CYS C 209 1.710 -14.083 5.966 1.00 50.11 C ATOM 1857 C CYS C 209 2.489 -14.444 4.688 1.00 45.21 C ATOM 1858 O CYS C 209 3.314 -15.373 4.721 1.00 61.03 O ATOM 1859 CB CYS C 209 2.599 -13.367 7.008 1.00 50.20 C ATOM 1860 SG CYS C 209 1.770 -13.185 8.631 1.00 35.35 S ATOM 0 HA CYS C 209 0.894 -13.401 5.727 1.00 50.11 H new ATOM 0 HB2 CYS C 209 3.525 -13.928 7.137 1.00 50.20 H new ATOM 0 HB3 CYS C 209 2.873 -12.382 6.631 1.00 50.20 H new ATOM 1865 N PRO C 210 2.211 -13.766 3.532 1.00 12.24 N ATOM 1866 CA PRO C 210 2.903 -14.049 2.265 1.00 73.21 C ATOM 1867 C PRO C 210 4.379 -13.850 2.422 1.00 14.14 C ATOM 1868 O PRO C 210 5.187 -14.711 2.064 1.00 13.14 O ATOM 1869 CB PRO C 210 2.338 -13.001 1.302 1.00 73.12 C ATOM 1870 CG PRO C 210 1.028 -12.629 1.881 1.00 33.51 C ATOM 1871 CD PRO C 210 1.196 -12.725 3.367 1.00 14.52 C ATOM 0 HA PRO C 210 2.755 -15.073 1.923 1.00 73.21 H new ATOM 0 HB2 PRO C 210 2.997 -12.136 1.226 1.00 73.12 H new ATOM 0 HB3 PRO C 210 2.226 -13.406 0.296 1.00 73.12 H new ATOM 0 HG2 PRO C 210 0.742 -11.620 1.584 1.00 33.51 H new ATOM 0 HG3 PRO C 210 0.242 -13.299 1.532 1.00 33.51 H new ATOM 0 HD2 PRO C 210 1.521 -11.777 3.796 1.00 14.52 H new ATOM 0 HD3 PRO C 210 0.262 -12.994 3.860 1.00 14.52 H new ATOM 1879 N CYS C 211 4.718 -12.720 2.947 1.00 34.03 N ATOM 1880 CA CYS C 211 6.054 -12.404 3.249 1.00 32.31 C ATOM 1881 C CYS C 211 6.263 -12.666 4.710 1.00 13.20 C ATOM 1882 O CYS C 211 5.786 -11.925 5.548 1.00 51.00 O ATOM 1883 CB CYS C 211 6.335 -10.957 2.909 1.00 43.04 C ATOM 1884 SG CYS C 211 5.993 -10.550 1.165 1.00 50.12 S ATOM 0 H CYS C 211 4.053 -11.982 3.179 1.00 34.03 H new ATOM 0 HA CYS C 211 6.740 -13.015 2.662 1.00 32.31 H new ATOM 0 HB2 CYS C 211 5.730 -10.316 3.550 1.00 43.04 H new ATOM 0 HB3 CYS C 211 7.379 -10.735 3.129 1.00 43.04 H new ATOM 1889 N ARG C 212 6.896 -13.760 5.007 1.00 74.31 N ATOM 1890 CA ARG C 212 7.187 -14.123 6.369 1.00 34.13 C ATOM 1891 C ARG C 212 8.474 -13.433 6.759 1.00 60.32 C ATOM 1892 O ARG C 212 8.694 -13.071 7.918 1.00 61.51 O ATOM 1893 CB ARG C 212 7.323 -15.641 6.478 1.00 12.34 C ATOM 1894 CG ARG C 212 7.537 -16.153 7.884 1.00 75.50 C ATOM 1895 CD ARG C 212 7.631 -17.660 7.898 1.00 71.44 C ATOM 1896 NE ARG C 212 7.770 -18.187 9.251 1.00 44.42 N ATOM 1897 CZ ARG C 212 7.682 -19.479 9.577 1.00 21.25 C ATOM 1898 NH1 ARG C 212 7.467 -20.403 8.638 1.00 63.03 N ATOM 1899 NH2 ARG C 212 7.815 -19.843 10.839 1.00 55.44 N ATOM 0 H ARG C 212 7.228 -14.430 4.314 1.00 74.31 H new ATOM 0 HA ARG C 212 6.385 -13.814 7.039 1.00 34.13 H new ATOM 0 HB2 ARG C 212 6.425 -16.104 6.069 1.00 12.34 H new ATOM 0 HB3 ARG C 212 8.158 -15.964 5.857 1.00 12.34 H new ATOM 0 HG2 ARG C 212 8.450 -15.723 8.297 1.00 75.50 H new ATOM 0 HG3 ARG C 212 6.715 -15.830 8.523 1.00 75.50 H new ATOM 0 HD2 ARG C 212 6.740 -18.083 7.434 1.00 71.44 H new ATOM 0 HD3 ARG C 212 8.484 -17.976 7.297 1.00 71.44 H new ATOM 0 HE ARG C 212 7.947 -17.520 10.002 1.00 44.42 H new ATOM 0 HH11 ARG C 212 7.368 -20.125 7.662 1.00 63.03 H new ATOM 0 HH12 ARG C 212 7.401 -21.387 8.897 1.00 63.03 H new ATOM 0 HH21 ARG C 212 7.984 -19.139 11.558 1.00 55.44 H new ATOM 0 HH22 ARG C 212 7.749 -20.828 11.095 1.00 55.44 H new ATOM 1913 N PHE C 213 9.308 -13.244 5.768 1.00 23.32 N ATOM 1914 CA PHE C 213 10.540 -12.547 5.912 1.00 22.44 C ATOM 1915 C PHE C 213 10.376 -11.200 5.260 1.00 20.41 C ATOM 1916 O PHE C 213 9.707 -11.087 4.225 1.00 34.40 O ATOM 1917 CB PHE C 213 11.677 -13.322 5.245 1.00 15.31 C ATOM 1918 CG PHE C 213 11.854 -14.715 5.782 1.00 13.24 C ATOM 1919 CD1 PHE C 213 12.532 -14.931 6.965 1.00 71.45 C ATOM 1920 CD2 PHE C 213 11.337 -15.806 5.102 1.00 62.20 C ATOM 1921 CE1 PHE C 213 12.692 -16.209 7.462 1.00 52.42 C ATOM 1922 CE2 PHE C 213 11.496 -17.082 5.595 1.00 24.14 C ATOM 1923 CZ PHE C 213 12.173 -17.283 6.777 1.00 70.35 C ATOM 0 H PHE C 213 9.136 -13.582 4.821 1.00 23.32 H new ATOM 0 HA PHE C 213 10.791 -12.436 6.967 1.00 22.44 H new ATOM 0 HB2 PHE C 213 11.488 -13.377 4.173 1.00 15.31 H new ATOM 0 HB3 PHE C 213 12.608 -12.770 5.377 1.00 15.31 H new ATOM 0 HD1 PHE C 213 12.941 -14.092 7.507 1.00 71.45 H new ATOM 0 HD2 PHE C 213 10.804 -15.654 4.175 1.00 62.20 H new ATOM 0 HE1 PHE C 213 13.225 -16.365 8.388 1.00 52.42 H new ATOM 0 HE2 PHE C 213 11.090 -17.924 5.055 1.00 24.14 H new ATOM 0 HZ PHE C 213 12.296 -18.283 7.166 1.00 70.35 H new ATOM 1933 N PHE C 214 10.938 -10.194 5.858 1.00 55.52 N ATOM 1934 CA PHE C 214 10.808 -8.850 5.358 1.00 63.34 C ATOM 1935 C PHE C 214 12.163 -8.241 5.222 1.00 61.12 C ATOM 1936 O PHE C 214 12.974 -8.347 6.125 1.00 33.33 O ATOM 1937 CB PHE C 214 10.003 -7.997 6.326 1.00 14.11 C ATOM 1938 CG PHE C 214 8.638 -8.508 6.647 1.00 42.32 C ATOM 1939 CD1 PHE C 214 7.551 -8.151 5.876 1.00 21.54 C ATOM 1940 CD2 PHE C 214 8.443 -9.346 7.731 1.00 63.12 C ATOM 1941 CE1 PHE C 214 6.297 -8.619 6.179 1.00 54.13 C ATOM 1942 CE2 PHE C 214 7.192 -9.815 8.039 1.00 30.12 C ATOM 1943 CZ PHE C 214 6.119 -9.454 7.267 1.00 73.44 C ATOM 0 H PHE C 214 11.500 -10.276 6.705 1.00 55.52 H new ATOM 0 HA PHE C 214 10.301 -8.889 4.394 1.00 63.34 H new ATOM 0 HB2 PHE C 214 10.565 -7.903 7.255 1.00 14.11 H new ATOM 0 HB3 PHE C 214 9.908 -6.995 5.908 1.00 14.11 H new ATOM 0 HD1 PHE C 214 7.688 -7.498 5.027 1.00 21.54 H new ATOM 0 HD2 PHE C 214 9.286 -9.634 8.341 1.00 63.12 H new ATOM 0 HE1 PHE C 214 5.452 -8.336 5.570 1.00 54.13 H new ATOM 0 HE2 PHE C 214 7.053 -10.468 8.888 1.00 30.12 H new ATOM 0 HZ PHE C 214 5.133 -9.822 7.509 1.00 73.44 H new ATOM 1953 N GLU C 215 12.401 -7.619 4.133 1.00 73.44 N ATOM 1954 CA GLU C 215 13.634 -6.955 3.859 1.00 14.23 C ATOM 1955 C GLU C 215 13.632 -5.584 4.535 1.00 54.23 C ATOM 1956 O GLU C 215 12.617 -4.869 4.512 1.00 11.23 O ATOM 1957 CB GLU C 215 13.831 -6.830 2.336 1.00 72.34 C ATOM 1958 CG GLU C 215 14.130 -8.149 1.585 1.00 44.41 C ATOM 1959 CD GLU C 215 13.068 -9.245 1.708 1.00 72.34 C ATOM 1960 OE1 GLU C 215 13.164 -10.076 2.638 1.00 24.03 O ATOM 1961 OE2 GLU C 215 12.162 -9.328 0.844 1.00 30.31 O ATOM 0 H GLU C 215 11.724 -7.550 3.373 1.00 73.44 H new ATOM 0 HA GLU C 215 14.467 -7.534 4.259 1.00 14.23 H new ATOM 0 HB2 GLU C 215 12.932 -6.386 1.908 1.00 72.34 H new ATOM 0 HB3 GLU C 215 14.650 -6.135 2.150 1.00 72.34 H new ATOM 0 HG2 GLU C 215 14.267 -7.920 0.528 1.00 44.41 H new ATOM 0 HG3 GLU C 215 15.077 -8.546 1.950 1.00 44.41 H new ATOM 1968 N SER C 216 14.742 -5.226 5.159 1.00 45.15 N ATOM 1969 CA SER C 216 14.810 -3.974 5.883 1.00 71.13 C ATOM 1970 C SER C 216 15.676 -2.924 5.175 1.00 23.23 C ATOM 1971 O SER C 216 15.203 -1.839 4.837 1.00 22.10 O ATOM 1972 CB SER C 216 15.280 -4.212 7.325 1.00 32.22 C ATOM 1973 OG SER C 216 16.527 -4.884 7.362 1.00 43.31 O ATOM 0 H SER C 216 15.598 -5.780 5.178 1.00 45.15 H new ATOM 0 HA SER C 216 13.801 -3.563 5.910 1.00 71.13 H new ATOM 0 HB2 SER C 216 15.365 -3.257 7.843 1.00 32.22 H new ATOM 0 HB3 SER C 216 14.533 -4.799 7.860 1.00 32.22 H new ATOM 0 HG SER C 216 16.799 -5.018 8.294 1.00 43.31 H new ATOM 1979 N HIS C 217 16.931 -3.242 4.936 1.00 71.02 N ATOM 1980 CA HIS C 217 17.831 -2.301 4.296 1.00 74.21 C ATOM 1981 C HIS C 217 17.705 -2.320 2.805 1.00 23.15 C ATOM 1982 O HIS C 217 18.559 -2.853 2.087 1.00 64.20 O ATOM 1983 CB HIS C 217 19.288 -2.449 4.731 1.00 52.32 C ATOM 1984 CG HIS C 217 19.552 -2.045 6.139 1.00 21.22 C ATOM 1985 ND1 HIS C 217 20.391 -1.014 6.476 1.00 24.23 N ATOM 1986 CD2 HIS C 217 19.111 -2.554 7.304 1.00 32.44 C ATOM 1987 CE1 HIS C 217 20.453 -0.907 7.775 1.00 3.30 C ATOM 1988 NE2 HIS C 217 19.684 -1.831 8.304 1.00 72.55 N ATOM 0 H HIS C 217 17.351 -4.140 5.173 1.00 71.02 H new ATOM 0 HA HIS C 217 17.509 -1.320 4.646 1.00 74.21 H new ATOM 0 HB2 HIS C 217 19.590 -3.488 4.601 1.00 52.32 H new ATOM 0 HB3 HIS C 217 19.915 -1.850 4.070 1.00 52.32 H new ATOM 0 HD2 HIS C 217 18.429 -3.383 7.423 1.00 32.44 H new ATOM 0 HE1 HIS C 217 21.037 -0.182 8.322 1.00 3.30 H new ATOM 0 HE2 HIS C 217 19.540 -1.982 9.302 1.00 72.55 H new ATOM 1997 N VAL C 218 16.609 -1.814 2.358 1.00 63.10 N ATOM 1998 CA VAL C 218 16.331 -1.659 0.974 1.00 32.23 C ATOM 1999 C VAL C 218 16.363 -0.183 0.710 1.00 1.34 C ATOM 2000 O VAL C 218 15.855 0.595 1.520 1.00 50.11 O ATOM 2001 CB VAL C 218 14.923 -2.209 0.611 1.00 55.45 C ATOM 2002 CG1 VAL C 218 14.670 -2.135 -0.889 1.00 65.01 C ATOM 2003 CG2 VAL C 218 14.743 -3.629 1.119 1.00 73.44 C ATOM 0 H VAL C 218 15.858 -1.486 2.965 1.00 63.10 H new ATOM 0 HA VAL C 218 17.058 -2.209 0.377 1.00 32.23 H new ATOM 0 HB VAL C 218 14.186 -1.577 1.106 1.00 55.45 H new ATOM 0 HG11 VAL C 218 13.677 -2.527 -1.110 1.00 65.01 H new ATOM 0 HG12 VAL C 218 14.732 -1.098 -1.218 1.00 65.01 H new ATOM 0 HG13 VAL C 218 15.419 -2.727 -1.414 1.00 65.01 H new ATOM 0 HG21 VAL C 218 13.749 -3.988 0.851 1.00 73.44 H new ATOM 0 HG22 VAL C 218 15.496 -4.275 0.668 1.00 73.44 H new ATOM 0 HG23 VAL C 218 14.854 -3.644 2.203 1.00 73.44 H new ATOM 2013 N ALA C 219 16.955 0.215 -0.374 1.00 64.14 N ATOM 2014 CA ALA C 219 17.051 1.605 -0.681 1.00 34.01 C ATOM 2015 C ALA C 219 15.747 2.021 -1.269 1.00 75.40 C ATOM 2016 O ALA C 219 15.271 1.399 -2.233 1.00 15.53 O ATOM 2017 CB ALA C 219 18.195 1.871 -1.642 1.00 12.23 C ATOM 0 H ALA C 219 17.380 -0.407 -1.062 1.00 64.14 H new ATOM 0 HA ALA C 219 17.260 2.181 0.220 1.00 34.01 H new ATOM 0 HB1 ALA C 219 18.247 2.938 -1.860 1.00 12.23 H new ATOM 0 HB2 ALA C 219 19.133 1.547 -1.190 1.00 12.23 H new ATOM 0 HB3 ALA C 219 18.029 1.319 -2.567 1.00 12.23 H new ATOM 2023 N ARG C 220 15.158 3.057 -0.709 1.00 33.31 N ATOM 2024 CA ARG C 220 13.847 3.478 -1.124 1.00 64.45 C ATOM 2025 C ARG C 220 13.886 3.950 -2.579 1.00 3.30 C ATOM 2026 O ARG C 220 12.940 3.824 -3.287 1.00 62.32 O ATOM 2027 CB ARG C 220 13.254 4.525 -0.127 1.00 45.43 C ATOM 2028 CG ARG C 220 13.686 5.990 -0.279 1.00 4.42 C ATOM 2029 CD ARG C 220 12.757 6.791 -1.236 1.00 53.54 C ATOM 2030 NE ARG C 220 13.291 8.120 -1.507 1.00 42.24 N ATOM 2031 CZ ARG C 220 12.569 9.222 -1.713 1.00 1.32 C ATOM 2032 NH1 ARG C 220 11.248 9.220 -1.523 1.00 54.51 N ATOM 2033 NH2 ARG C 220 13.179 10.342 -2.078 1.00 35.33 N ATOM 0 H ARG C 220 15.571 3.620 0.035 1.00 33.31 H new ATOM 0 HA ARG C 220 13.160 2.633 -1.094 1.00 64.45 H new ATOM 0 HB2 ARG C 220 12.168 4.487 -0.210 1.00 45.43 H new ATOM 0 HB3 ARG C 220 13.508 4.205 0.884 1.00 45.43 H new ATOM 0 HG2 ARG C 220 13.690 6.467 0.701 1.00 4.42 H new ATOM 0 HG3 ARG C 220 14.708 6.026 -0.656 1.00 4.42 H new ATOM 0 HD2 ARG C 220 12.640 6.246 -2.173 1.00 53.54 H new ATOM 0 HD3 ARG C 220 11.765 6.879 -0.793 1.00 53.54 H new ATOM 0 HE ARG C 220 14.306 8.215 -1.542 1.00 42.24 H new ATOM 0 HH11 ARG C 220 10.778 8.368 -1.216 1.00 54.51 H new ATOM 0 HH12 ARG C 220 10.708 10.070 -1.684 1.00 54.51 H new ATOM 0 HH21 ARG C 220 14.192 10.355 -2.199 1.00 35.33 H new ATOM 0 HH22 ARG C 220 12.635 11.190 -2.238 1.00 35.33 H new ATOM 2047 N ALA C 221 15.033 4.417 -3.022 1.00 41.32 N ATOM 2048 CA ALA C 221 15.197 4.868 -4.399 1.00 23.14 C ATOM 2049 C ALA C 221 15.238 3.690 -5.395 1.00 60.54 C ATOM 2050 O ALA C 221 15.192 3.893 -6.615 1.00 32.21 O ATOM 2051 CB ALA C 221 16.449 5.723 -4.535 1.00 42.04 C ATOM 0 H ALA C 221 15.874 4.497 -2.450 1.00 41.32 H new ATOM 0 HA ALA C 221 14.325 5.473 -4.647 1.00 23.14 H new ATOM 0 HB1 ALA C 221 16.555 6.051 -5.569 1.00 42.04 H new ATOM 0 HB2 ALA C 221 16.367 6.594 -3.885 1.00 42.04 H new ATOM 0 HB3 ALA C 221 17.322 5.137 -4.248 1.00 42.04 H new ATOM 2057 N ASN C 222 15.343 2.463 -4.893 1.00 51.43 N ATOM 2058 CA ASN C 222 15.437 1.310 -5.785 1.00 14.32 C ATOM 2059 C ASN C 222 14.080 0.604 -5.942 1.00 23.11 C ATOM 2060 O ASN C 222 13.908 -0.258 -6.802 1.00 11.33 O ATOM 2061 CB ASN C 222 16.537 0.332 -5.330 1.00 52.15 C ATOM 2062 CG ASN C 222 16.840 -0.738 -6.379 1.00 65.11 C ATOM 2063 OD1 ASN C 222 16.680 -0.502 -7.584 1.00 34.43 O ATOM 2064 ND2 ASN C 222 17.299 -1.891 -5.947 1.00 22.23 N ATOM 0 H ASN C 222 15.365 2.243 -3.897 1.00 51.43 H new ATOM 0 HA ASN C 222 15.722 1.683 -6.769 1.00 14.32 H new ATOM 0 HB2 ASN C 222 17.447 0.890 -5.112 1.00 52.15 H new ATOM 0 HB3 ASN C 222 16.229 -0.150 -4.402 1.00 52.15 H new ATOM 0 HD21 ASN C 222 17.536 -2.627 -6.612 1.00 22.23 H new ATOM 0 HD22 ASN C 222 17.418 -2.050 -4.947 1.00 22.23 H new ATOM 2071 N VAL C 223 13.130 0.982 -5.138 1.00 4.30 N ATOM 2072 CA VAL C 223 11.791 0.422 -5.241 1.00 2.22 C ATOM 2073 C VAL C 223 10.893 1.402 -5.971 1.00 3.13 C ATOM 2074 O VAL C 223 11.176 2.596 -5.991 1.00 44.11 O ATOM 2075 CB VAL C 223 11.176 0.081 -3.855 1.00 12.12 C ATOM 2076 CG1 VAL C 223 11.977 -1.007 -3.167 1.00 63.33 C ATOM 2077 CG2 VAL C 223 11.110 1.313 -2.972 1.00 42.44 C ATOM 0 H VAL C 223 13.246 1.676 -4.399 1.00 4.30 H new ATOM 0 HA VAL C 223 11.869 -0.513 -5.795 1.00 2.22 H new ATOM 0 HB VAL C 223 10.161 -0.281 -4.021 1.00 12.12 H new ATOM 0 HG11 VAL C 223 11.530 -1.231 -2.198 1.00 63.33 H new ATOM 0 HG12 VAL C 223 11.975 -1.906 -3.784 1.00 63.33 H new ATOM 0 HG13 VAL C 223 13.003 -0.668 -3.023 1.00 63.33 H new ATOM 0 HG21 VAL C 223 10.676 1.047 -2.008 1.00 42.44 H new ATOM 0 HG22 VAL C 223 12.115 1.707 -2.821 1.00 42.44 H new ATOM 0 HG23 VAL C 223 10.491 2.072 -3.452 1.00 42.44 H new ATOM 2087 N LYS C 224 9.853 0.907 -6.601 1.00 13.13 N ATOM 2088 CA LYS C 224 8.946 1.782 -7.303 1.00 1.10 C ATOM 2089 C LYS C 224 7.646 2.019 -6.519 1.00 55.55 C ATOM 2090 O LYS C 224 7.471 3.067 -5.908 1.00 74.10 O ATOM 2091 CB LYS C 224 8.664 1.263 -8.703 1.00 63.22 C ATOM 2092 CG LYS C 224 9.909 1.113 -9.550 1.00 42.55 C ATOM 2093 CD LYS C 224 9.596 0.674 -10.970 1.00 73.31 C ATOM 2094 CE LYS C 224 8.932 -0.694 -11.031 1.00 21.11 C ATOM 2095 NZ LYS C 224 8.676 -1.117 -12.429 1.00 25.32 N ATOM 0 H LYS C 224 9.616 -0.084 -6.642 1.00 13.13 H new ATOM 0 HA LYS C 224 9.438 2.750 -7.395 1.00 1.10 H new ATOM 0 HB2 LYS C 224 8.164 0.297 -8.631 1.00 63.22 H new ATOM 0 HB3 LYS C 224 7.973 1.943 -9.202 1.00 63.22 H new ATOM 0 HG2 LYS C 224 10.444 2.063 -9.576 1.00 42.55 H new ATOM 0 HG3 LYS C 224 10.575 0.385 -9.086 1.00 42.55 H new ATOM 0 HD2 LYS C 224 8.943 1.411 -11.438 1.00 73.31 H new ATOM 0 HD3 LYS C 224 10.518 0.651 -11.550 1.00 73.31 H new ATOM 0 HE2 LYS C 224 9.568 -1.430 -10.539 1.00 21.11 H new ATOM 0 HE3 LYS C 224 7.991 -0.667 -10.481 1.00 21.11 H new ATOM 0 HZ1 LYS C 224 8.223 -2.053 -12.431 1.00 25.32 H new ATOM 0 HZ2 LYS C 224 8.049 -0.428 -12.891 1.00 25.32 H new ATOM 0 HZ3 LYS C 224 9.576 -1.167 -12.947 1.00 25.32 H new ATOM 2109 N HIS C 225 6.734 1.047 -6.512 1.00 62.41 N ATOM 2110 CA HIS C 225 5.476 1.245 -5.773 1.00 74.44 C ATOM 2111 C HIS C 225 5.456 0.382 -4.515 1.00 73.31 C ATOM 2112 O HIS C 225 6.305 -0.494 -4.343 1.00 44.04 O ATOM 2113 CB HIS C 225 4.193 0.950 -6.640 1.00 11.22 C ATOM 2114 CG HIS C 225 3.839 -0.520 -6.871 1.00 73.35 C ATOM 2115 ND1 HIS C 225 3.738 -1.101 -8.106 1.00 42.13 N ATOM 2116 CD2 HIS C 225 3.507 -1.500 -5.990 1.00 12.45 C ATOM 2117 CE1 HIS C 225 3.370 -2.366 -7.955 1.00 42.45 C ATOM 2118 NE2 HIS C 225 3.229 -2.614 -6.693 1.00 4.45 N ATOM 0 H HIS C 225 6.829 0.149 -6.986 1.00 62.41 H new ATOM 0 HA HIS C 225 5.443 2.300 -5.503 1.00 74.44 H new ATOM 0 HB2 HIS C 225 3.341 1.433 -6.161 1.00 11.22 H new ATOM 0 HB3 HIS C 225 4.324 1.425 -7.612 1.00 11.22 H new ATOM 0 HD2 HIS C 225 3.472 -1.402 -4.915 1.00 12.45 H new ATOM 0 HE1 HIS C 225 3.213 -3.074 -8.755 1.00 42.45 H new ATOM 0 HE2 HIS C 225 2.951 -3.511 -6.294 1.00 4.45 H new ATOM 2127 N LEU C 226 4.443 0.587 -3.688 1.00 31.33 N ATOM 2128 CA LEU C 226 4.247 -0.199 -2.478 1.00 3.23 C ATOM 2129 C LEU C 226 2.918 -0.944 -2.572 1.00 32.52 C ATOM 2130 O LEU C 226 2.030 -0.526 -3.284 1.00 12.50 O ATOM 2131 CB LEU C 226 4.245 0.719 -1.236 1.00 40.02 C ATOM 2132 CG LEU C 226 5.519 1.517 -0.988 1.00 40.21 C ATOM 2133 CD1 LEU C 226 5.392 2.354 0.277 1.00 72.32 C ATOM 2134 CD2 LEU C 226 6.700 0.587 -0.898 1.00 64.45 C ATOM 0 H LEU C 226 3.732 1.304 -3.836 1.00 31.33 H new ATOM 0 HA LEU C 226 5.063 -0.914 -2.380 1.00 3.23 H new ATOM 0 HB2 LEU C 226 3.415 1.419 -1.329 1.00 40.02 H new ATOM 0 HB3 LEU C 226 4.048 0.106 -0.357 1.00 40.02 H new ATOM 0 HG LEU C 226 5.675 2.197 -1.825 1.00 40.21 H new ATOM 0 HD11 LEU C 226 6.313 2.916 0.435 1.00 72.32 H new ATOM 0 HD12 LEU C 226 4.557 3.047 0.172 1.00 72.32 H new ATOM 0 HD13 LEU C 226 5.215 1.699 1.130 1.00 72.32 H new ATOM 0 HD21 LEU C 226 7.606 1.166 -0.721 1.00 64.45 H new ATOM 0 HD22 LEU C 226 6.550 -0.113 -0.076 1.00 64.45 H new ATOM 0 HD23 LEU C 226 6.800 0.034 -1.832 1.00 64.45 H new ATOM 2146 N LYS C 227 2.807 -2.062 -1.920 1.00 51.44 N ATOM 2147 CA LYS C 227 1.557 -2.790 -1.859 1.00 34.44 C ATOM 2148 C LYS C 227 1.314 -3.300 -0.464 1.00 45.31 C ATOM 2149 O LYS C 227 2.211 -3.880 0.142 1.00 33.22 O ATOM 2150 CB LYS C 227 1.538 -3.914 -2.869 1.00 34.42 C ATOM 2151 CG LYS C 227 0.276 -4.753 -2.799 1.00 5.21 C ATOM 2152 CD LYS C 227 0.094 -5.568 -4.034 1.00 14.50 C ATOM 2153 CE LYS C 227 1.298 -6.400 -4.350 1.00 44.25 C ATOM 2154 NZ LYS C 227 1.580 -7.400 -3.304 1.00 32.15 N ATOM 0 H LYS C 227 3.575 -2.502 -1.413 1.00 51.44 H new ATOM 0 HA LYS C 227 0.746 -2.108 -2.114 1.00 34.44 H new ATOM 0 HB2 LYS C 227 1.635 -3.496 -3.871 1.00 34.42 H new ATOM 0 HB3 LYS C 227 2.404 -4.556 -2.706 1.00 34.42 H new ATOM 0 HG2 LYS C 227 0.323 -5.411 -1.931 1.00 5.21 H new ATOM 0 HG3 LYS C 227 -0.588 -4.103 -2.660 1.00 5.21 H new ATOM 0 HD2 LYS C 227 -0.772 -6.218 -3.913 1.00 14.50 H new ATOM 0 HD3 LYS C 227 -0.119 -4.907 -4.874 1.00 14.50 H new ATOM 0 HE2 LYS C 227 1.146 -6.908 -5.303 1.00 44.25 H new ATOM 0 HE3 LYS C 227 2.164 -5.750 -4.470 1.00 44.25 H new ATOM 0 HZ1 LYS C 227 2.401 -7.973 -3.584 1.00 32.15 H new ATOM 0 HZ2 LYS C 227 1.785 -6.916 -2.407 1.00 32.15 H new ATOM 0 HZ3 LYS C 227 0.752 -8.018 -3.182 1.00 32.15 H new ATOM 2168 N ILE C 228 0.106 -3.094 0.048 1.00 1.04 N ATOM 2169 CA ILE C 228 -0.198 -3.460 1.411 1.00 60.53 C ATOM 2170 C ILE C 228 -1.132 -4.669 1.471 1.00 44.35 C ATOM 2171 O ILE C 228 -2.236 -4.652 0.889 1.00 25.12 O ATOM 2172 CB ILE C 228 -0.849 -2.291 2.202 1.00 62.23 C ATOM 2173 CG1 ILE C 228 0.010 -1.020 2.115 1.00 2.42 C ATOM 2174 CG2 ILE C 228 -1.022 -2.698 3.665 1.00 13.45 C ATOM 2175 CD1 ILE C 228 -0.571 0.164 2.866 1.00 54.14 C ATOM 0 H ILE C 228 -0.671 -2.677 -0.464 1.00 1.04 H new ATOM 0 HA ILE C 228 0.757 -3.711 1.873 1.00 60.53 H new ATOM 0 HB ILE C 228 -1.822 -2.076 1.761 1.00 62.23 H new ATOM 0 HG12 ILE C 228 1.003 -1.236 2.509 1.00 2.42 H new ATOM 0 HG13 ILE C 228 0.135 -0.748 1.067 1.00 2.42 H new ATOM 0 HG21 ILE C 228 -1.479 -1.878 4.219 1.00 13.45 H new ATOM 0 HG22 ILE C 228 -1.663 -3.578 3.725 1.00 13.45 H new ATOM 0 HG23 ILE C 228 -0.048 -2.929 4.096 1.00 13.45 H new ATOM 0 HD11 ILE C 228 0.091 1.023 2.758 1.00 54.14 H new ATOM 0 HD12 ILE C 228 -1.552 0.408 2.458 1.00 54.14 H new ATOM 0 HD13 ILE C 228 -0.670 -0.088 3.922 1.00 54.14 H new ATOM 2187 N LEU C 229 -0.664 -5.703 2.157 1.00 42.52 N ATOM 2188 CA LEU C 229 -1.419 -6.932 2.457 1.00 24.40 C ATOM 2189 C LEU C 229 -1.757 -6.897 3.951 1.00 22.03 C ATOM 2190 O LEU C 229 -0.916 -6.485 4.752 1.00 11.12 O ATOM 2191 CB LEU C 229 -0.531 -8.217 2.210 1.00 33.34 C ATOM 2192 CG LEU C 229 -0.185 -8.706 0.772 1.00 21.22 C ATOM 2193 CD1 LEU C 229 -1.311 -9.518 0.180 1.00 2.13 C ATOM 2194 CD2 LEU C 229 0.228 -7.571 -0.168 1.00 53.22 C ATOM 0 H LEU C 229 0.283 -5.719 2.537 1.00 42.52 H new ATOM 0 HA LEU C 229 -2.302 -6.978 1.820 1.00 24.40 H new ATOM 0 HB2 LEU C 229 0.416 -8.051 2.724 1.00 33.34 H new ATOM 0 HB3 LEU C 229 -1.027 -9.046 2.715 1.00 33.34 H new ATOM 0 HG LEU C 229 0.687 -9.352 0.876 1.00 21.22 H new ATOM 0 HD11 LEU C 229 -1.037 -9.843 -0.823 1.00 2.13 H new ATOM 0 HD12 LEU C 229 -1.498 -10.391 0.806 1.00 2.13 H new ATOM 0 HD13 LEU C 229 -2.212 -8.907 0.130 1.00 2.13 H new ATOM 0 HD21 LEU C 229 0.456 -7.979 -1.153 1.00 53.22 H new ATOM 0 HD22 LEU C 229 -0.588 -6.853 -0.252 1.00 53.22 H new ATOM 0 HD23 LEU C 229 1.111 -7.071 0.231 1.00 53.22 H new ATOM 2206 N ASN C 230 -2.953 -7.282 4.331 1.00 33.43 N ATOM 2207 CA ASN C 230 -3.264 -7.409 5.752 1.00 43.34 C ATOM 2208 C ASN C 230 -3.580 -8.860 5.985 1.00 12.33 C ATOM 2209 O ASN C 230 -4.544 -9.385 5.442 1.00 31.33 O ATOM 2210 CB ASN C 230 -4.446 -6.499 6.175 1.00 50.34 C ATOM 2211 CG ASN C 230 -4.685 -6.410 7.718 1.00 10.32 C ATOM 2212 OD1 ASN C 230 -5.137 -5.367 8.220 1.00 44.24 O ATOM 2213 ND2 ASN C 230 -4.408 -7.463 8.470 1.00 41.02 N ATOM 0 H ASN C 230 -3.719 -7.511 3.697 1.00 33.43 H new ATOM 0 HA ASN C 230 -2.419 -7.085 6.359 1.00 43.34 H new ATOM 0 HB2 ASN C 230 -4.269 -5.495 5.790 1.00 50.34 H new ATOM 0 HB3 ASN C 230 -5.356 -6.866 5.701 1.00 50.34 H new ATOM 0 HD21 ASN C 230 -4.565 -7.426 9.477 1.00 41.02 H new ATOM 0 HD22 ASN C 230 -4.038 -8.312 8.042 1.00 41.02 H new ATOM 2220 N THR C 231 -2.775 -9.513 6.749 1.00 5.10 N ATOM 2221 CA THR C 231 -2.917 -10.922 6.927 1.00 73.21 C ATOM 2222 C THR C 231 -3.536 -11.249 8.271 1.00 71.10 C ATOM 2223 O THR C 231 -3.554 -10.410 9.160 1.00 53.14 O ATOM 2224 CB THR C 231 -1.550 -11.599 6.774 1.00 43.23 C ATOM 2225 OG1 THR C 231 -0.621 -11.038 7.700 1.00 60.14 O ATOM 2226 CG2 THR C 231 -1.040 -11.387 5.376 1.00 14.12 C ATOM 0 H THR C 231 -2.003 -9.092 7.266 1.00 5.10 H new ATOM 0 HA THR C 231 -3.591 -11.304 6.160 1.00 73.21 H new ATOM 0 HB THR C 231 -1.658 -12.665 6.972 1.00 43.23 H new ATOM 0 HG1 THR C 231 0.218 -10.833 7.238 1.00 60.14 H new ATOM 0 HG21 THR C 231 -0.068 -11.868 5.266 1.00 14.12 H new ATOM 0 HG22 THR C 231 -1.742 -11.820 4.663 1.00 14.12 H new ATOM 0 HG23 THR C 231 -0.940 -10.319 5.183 1.00 14.12 H new ATOM 2234 N PRO C 232 -4.072 -12.473 8.442 1.00 54.54 N ATOM 2235 CA PRO C 232 -4.659 -12.909 9.701 1.00 73.44 C ATOM 2236 C PRO C 232 -3.586 -13.411 10.682 1.00 11.23 C ATOM 2237 O PRO C 232 -3.876 -14.159 11.617 1.00 12.42 O ATOM 2238 CB PRO C 232 -5.595 -14.065 9.271 1.00 73.10 C ATOM 2239 CG PRO C 232 -5.504 -14.129 7.778 1.00 22.22 C ATOM 2240 CD PRO C 232 -4.190 -13.520 7.428 1.00 4.22 C ATOM 0 HA PRO C 232 -5.175 -12.105 10.226 1.00 73.44 H new ATOM 0 HB2 PRO C 232 -5.285 -15.008 9.722 1.00 73.10 H new ATOM 0 HB3 PRO C 232 -6.620 -13.879 9.593 1.00 73.10 H new ATOM 0 HG2 PRO C 232 -5.565 -15.159 7.426 1.00 22.22 H new ATOM 0 HG3 PRO C 232 -6.325 -13.584 7.312 1.00 22.22 H new ATOM 0 HD2 PRO C 232 -3.375 -14.242 7.487 1.00 4.22 H new ATOM 0 HD3 PRO C 232 -4.183 -13.114 6.417 1.00 4.22 H new ATOM 2248 N ASN C 233 -2.360 -12.981 10.473 1.00 22.21 N ATOM 2249 CA ASN C 233 -1.254 -13.387 11.325 1.00 1.32 C ATOM 2250 C ASN C 233 -0.271 -12.231 11.537 1.00 42.33 C ATOM 2251 O ASN C 233 0.384 -12.139 12.581 1.00 73.00 O ATOM 2252 CB ASN C 233 -0.546 -14.630 10.744 1.00 13.44 C ATOM 2253 CG ASN C 233 0.586 -15.151 11.626 1.00 23.25 C ATOM 2254 OD1 ASN C 233 0.359 -15.964 12.522 1.00 61.43 O ATOM 2255 ND2 ASN C 233 1.799 -14.725 11.363 1.00 24.13 N ATOM 0 H ASN C 233 -2.100 -12.347 9.718 1.00 22.21 H new ATOM 0 HA ASN C 233 -1.656 -13.658 12.301 1.00 1.32 H new ATOM 0 HB2 ASN C 233 -1.280 -15.423 10.601 1.00 13.44 H new ATOM 0 HB3 ASN C 233 -0.146 -14.385 9.760 1.00 13.44 H new ATOM 0 HD21 ASN C 233 2.590 -15.068 11.909 1.00 24.13 H new ATOM 0 HD22 ASN C 233 1.951 -14.051 10.613 1.00 24.13 H new ATOM 2262 N CYS C 234 -0.192 -11.334 10.576 1.00 31.42 N ATOM 2263 CA CYS C 234 0.705 -10.200 10.663 1.00 52.32 C ATOM 2264 C CYS C 234 -0.108 -8.916 10.488 1.00 51.32 C ATOM 2265 O CYS C 234 -1.112 -8.907 9.776 1.00 40.43 O ATOM 2266 CB CYS C 234 1.809 -10.298 9.583 1.00 64.43 C ATOM 2267 SG CYS C 234 2.849 -11.805 9.657 1.00 72.31 S ATOM 0 H CYS C 234 -0.743 -11.369 9.719 1.00 31.42 H new ATOM 0 HA CYS C 234 1.193 -10.192 11.637 1.00 52.32 H new ATOM 0 HB2 CYS C 234 1.338 -10.250 8.601 1.00 64.43 H new ATOM 0 HB3 CYS C 234 2.457 -9.425 9.669 1.00 64.43 H new ATOM 2272 N ALA C 235 0.328 -7.852 11.140 1.00 62.31 N ATOM 2273 CA ALA C 235 -0.411 -6.589 11.186 1.00 51.43 C ATOM 2274 C ALA C 235 -0.532 -5.924 9.820 1.00 4.21 C ATOM 2275 O ALA C 235 -1.631 -5.571 9.384 1.00 73.13 O ATOM 2276 CB ALA C 235 0.257 -5.643 12.171 1.00 63.24 C ATOM 0 H ALA C 235 1.207 -7.833 11.656 1.00 62.31 H new ATOM 0 HA ALA C 235 -1.425 -6.819 11.514 1.00 51.43 H new ATOM 0 HB1 ALA C 235 -0.294 -4.703 12.204 1.00 63.24 H new ATOM 0 HB2 ALA C 235 0.263 -6.095 13.163 1.00 63.24 H new ATOM 0 HB3 ALA C 235 1.282 -5.451 11.853 1.00 63.24 H new ATOM 2282 N CYS C 236 0.578 -5.751 9.163 1.00 32.41 N ATOM 2283 CA CYS C 236 0.612 -5.083 7.889 1.00 11.34 C ATOM 2284 C CYS C 236 1.788 -5.632 7.114 1.00 53.45 C ATOM 2285 O CYS C 236 2.774 -6.034 7.709 1.00 34.14 O ATOM 2286 CB CYS C 236 0.767 -3.566 8.121 1.00 55.32 C ATOM 2287 SG CYS C 236 0.726 -2.542 6.615 1.00 1.24 S ATOM 0 H CYS C 236 1.489 -6.069 9.494 1.00 32.41 H new ATOM 0 HA CYS C 236 -0.307 -5.251 7.327 1.00 11.34 H new ATOM 0 HB2 CYS C 236 -0.028 -3.234 8.789 1.00 55.32 H new ATOM 0 HB3 CYS C 236 1.711 -3.388 8.636 1.00 55.32 H new ATOM 2292 N GLN C 237 1.679 -5.705 5.812 1.00 52.35 N ATOM 2293 CA GLN C 237 2.755 -6.233 4.986 1.00 34.30 C ATOM 2294 C GLN C 237 3.005 -5.248 3.871 1.00 22.52 C ATOM 2295 O GLN C 237 2.061 -4.888 3.154 1.00 3.43 O ATOM 2296 CB GLN C 237 2.332 -7.523 4.281 1.00 34.02 C ATOM 2297 CG GLN C 237 1.517 -8.564 5.077 1.00 31.32 C ATOM 2298 CD GLN C 237 2.227 -9.273 6.207 1.00 21.41 C ATOM 2299 OE1 GLN C 237 1.920 -10.420 6.484 1.00 61.31 O ATOM 2300 NE2 GLN C 237 3.105 -8.619 6.890 1.00 11.01 N ATOM 0 H GLN C 237 0.855 -5.406 5.291 1.00 52.35 H new ATOM 0 HA GLN C 237 3.618 -6.408 5.628 1.00 34.30 H new ATOM 0 HB2 GLN C 237 1.748 -7.245 3.404 1.00 34.02 H new ATOM 0 HB3 GLN C 237 3.235 -8.015 3.920 1.00 34.02 H new ATOM 0 HG2 GLN C 237 0.640 -8.065 5.488 1.00 31.32 H new ATOM 0 HG3 GLN C 237 1.156 -9.318 4.378 1.00 31.32 H new ATOM 0 HE21 GLN C 237 3.340 -7.660 6.633 1.00 11.01 H new ATOM 0 HE22 GLN C 237 3.564 -9.061 7.687 1.00 11.01 H new ATOM 2309 N ILE C 238 4.222 -4.827 3.700 1.00 35.41 N ATOM 2310 CA ILE C 238 4.553 -3.959 2.600 1.00 14.23 C ATOM 2311 C ILE C 238 5.332 -4.761 1.579 1.00 75.33 C ATOM 2312 O ILE C 238 6.325 -5.373 1.901 1.00 31.30 O ATOM 2313 CB ILE C 238 5.396 -2.736 3.047 1.00 13.54 C ATOM 2314 CG1 ILE C 238 4.636 -1.890 4.082 1.00 44.03 C ATOM 2315 CG2 ILE C 238 5.791 -1.877 1.843 1.00 30.54 C ATOM 2316 CD1 ILE C 238 3.352 -1.284 3.574 1.00 44.30 C ATOM 0 H ILE C 238 5.006 -5.068 4.306 1.00 35.41 H new ATOM 0 HA ILE C 238 3.625 -3.574 2.177 1.00 14.23 H new ATOM 0 HB ILE C 238 6.305 -3.113 3.515 1.00 13.54 H new ATOM 0 HG12 ILE C 238 4.411 -2.513 4.947 1.00 44.03 H new ATOM 0 HG13 ILE C 238 5.289 -1.089 4.428 1.00 44.03 H new ATOM 0 HG21 ILE C 238 6.381 -1.026 2.182 1.00 30.54 H new ATOM 0 HG22 ILE C 238 6.381 -2.474 1.148 1.00 30.54 H new ATOM 0 HG23 ILE C 238 4.892 -1.519 1.341 1.00 30.54 H new ATOM 0 HD11 ILE C 238 2.883 -0.705 4.370 1.00 44.30 H new ATOM 0 HD12 ILE C 238 3.568 -0.631 2.728 1.00 44.30 H new ATOM 0 HD13 ILE C 238 2.676 -2.078 3.256 1.00 44.30 H new ATOM 2328 N VAL C 239 4.856 -4.800 0.383 1.00 62.03 N ATOM 2329 CA VAL C 239 5.542 -5.502 -0.681 1.00 24.15 C ATOM 2330 C VAL C 239 5.865 -4.500 -1.785 1.00 13.12 C ATOM 2331 O VAL C 239 4.975 -3.763 -2.229 1.00 20.21 O ATOM 2332 CB VAL C 239 4.673 -6.668 -1.239 1.00 22.43 C ATOM 2333 CG1 VAL C 239 5.435 -7.454 -2.294 1.00 30.12 C ATOM 2334 CG2 VAL C 239 4.211 -7.593 -0.105 1.00 60.34 C ATOM 0 H VAL C 239 3.984 -4.352 0.101 1.00 62.03 H new ATOM 0 HA VAL C 239 6.460 -5.942 -0.293 1.00 24.15 H new ATOM 0 HB VAL C 239 3.790 -6.236 -1.709 1.00 22.43 H new ATOM 0 HG11 VAL C 239 4.808 -8.263 -2.669 1.00 30.12 H new ATOM 0 HG12 VAL C 239 5.704 -6.792 -3.117 1.00 30.12 H new ATOM 0 HG13 VAL C 239 6.340 -7.871 -1.853 1.00 30.12 H new ATOM 0 HG21 VAL C 239 3.606 -8.400 -0.518 1.00 60.34 H new ATOM 0 HG22 VAL C 239 5.081 -8.013 0.399 1.00 60.34 H new ATOM 0 HG23 VAL C 239 3.617 -7.023 0.610 1.00 60.34 H new ATOM 2344 N ALA C 240 7.106 -4.462 -2.229 1.00 70.22 N ATOM 2345 CA ALA C 240 7.528 -3.471 -3.202 1.00 31.32 C ATOM 2346 C ALA C 240 8.267 -4.107 -4.364 1.00 15.50 C ATOM 2347 O ALA C 240 9.023 -5.073 -4.189 1.00 1.20 O ATOM 2348 CB ALA C 240 8.405 -2.427 -2.534 1.00 14.41 C ATOM 0 H ALA C 240 7.840 -5.105 -1.932 1.00 70.22 H new ATOM 0 HA ALA C 240 6.633 -2.992 -3.600 1.00 31.32 H new ATOM 0 HB1 ALA C 240 8.717 -1.688 -3.272 1.00 14.41 H new ATOM 0 HB2 ALA C 240 7.843 -1.934 -1.741 1.00 14.41 H new ATOM 0 HB3 ALA C 240 9.285 -2.909 -2.109 1.00 14.41 H new ATOM 2354 N ARG C 241 8.054 -3.570 -5.550 1.00 41.12 N ATOM 2355 CA ARG C 241 8.724 -4.083 -6.718 1.00 74.25 C ATOM 2356 C ARG C 241 9.869 -3.145 -7.117 1.00 4.31 C ATOM 2357 O ARG C 241 9.686 -1.916 -7.193 1.00 60.31 O ATOM 2358 CB ARG C 241 7.743 -4.350 -7.900 1.00 21.25 C ATOM 2359 CG ARG C 241 7.090 -3.142 -8.545 1.00 63.12 C ATOM 2360 CD ARG C 241 6.236 -3.614 -9.713 1.00 73.33 C ATOM 2361 NE ARG C 241 5.514 -2.535 -10.389 1.00 32.53 N ATOM 2362 CZ ARG C 241 4.626 -2.735 -11.383 1.00 32.14 C ATOM 2363 NH1 ARG C 241 4.423 -3.953 -11.861 1.00 71.52 N ATOM 2364 NH2 ARG C 241 3.942 -1.720 -11.875 1.00 31.05 N ATOM 0 H ARG C 241 7.427 -2.785 -5.725 1.00 41.12 H new ATOM 0 HA ARG C 241 9.148 -5.055 -6.464 1.00 74.25 H new ATOM 0 HB2 ARG C 241 8.286 -4.894 -8.673 1.00 21.25 H new ATOM 0 HB3 ARG C 241 6.953 -5.010 -7.541 1.00 21.25 H new ATOM 0 HG2 ARG C 241 6.475 -2.611 -7.818 1.00 63.12 H new ATOM 0 HG3 ARG C 241 7.850 -2.442 -8.891 1.00 63.12 H new ATOM 0 HD2 ARG C 241 6.874 -4.121 -10.437 1.00 73.33 H new ATOM 0 HD3 ARG C 241 5.517 -4.349 -9.352 1.00 73.33 H new ATOM 0 HE ARG C 241 5.693 -1.576 -10.091 1.00 32.53 H new ATOM 0 HH11 ARG C 241 4.940 -4.744 -11.477 1.00 71.52 H new ATOM 0 HH12 ARG C 241 3.750 -4.100 -12.613 1.00 71.52 H new ATOM 0 HH21 ARG C 241 4.085 -0.781 -11.503 1.00 31.05 H new ATOM 0 HH22 ARG C 241 3.271 -1.874 -12.627 1.00 31.05 H new ATOM 2378 N LEU C 242 11.041 -3.723 -7.329 1.00 13.34 N ATOM 2379 CA LEU C 242 12.256 -2.979 -7.700 1.00 52.20 C ATOM 2380 C LEU C 242 12.172 -2.472 -9.131 1.00 31.30 C ATOM 2381 O LEU C 242 11.385 -2.985 -9.939 1.00 2.23 O ATOM 2382 CB LEU C 242 13.542 -3.846 -7.529 1.00 25.24 C ATOM 2383 CG LEU C 242 13.980 -4.251 -6.093 1.00 3.41 C ATOM 2384 CD1 LEU C 242 14.257 -3.043 -5.235 1.00 12.10 C ATOM 2385 CD2 LEU C 242 12.972 -5.143 -5.423 1.00 44.41 C ATOM 0 H LEU C 242 11.187 -4.729 -7.250 1.00 13.34 H new ATOM 0 HA LEU C 242 12.322 -2.128 -7.022 1.00 52.20 H new ATOM 0 HB2 LEU C 242 13.403 -4.762 -8.103 1.00 25.24 H new ATOM 0 HB3 LEU C 242 14.370 -3.305 -7.987 1.00 25.24 H new ATOM 0 HG LEU C 242 14.906 -4.816 -6.203 1.00 3.41 H new ATOM 0 HD11 LEU C 242 14.560 -3.366 -4.239 1.00 12.10 H new ATOM 0 HD12 LEU C 242 15.056 -2.453 -5.684 1.00 12.10 H new ATOM 0 HD13 LEU C 242 13.355 -2.435 -5.160 1.00 12.10 H new ATOM 0 HD21 LEU C 242 13.321 -5.400 -4.423 1.00 44.41 H new ATOM 0 HD22 LEU C 242 12.017 -4.623 -5.352 1.00 44.41 H new ATOM 0 HD23 LEU C 242 12.846 -6.054 -6.008 1.00 44.41 H new ATOM 2397 N LYS C 243 12.957 -1.455 -9.441 1.00 51.15 N ATOM 2398 CA LYS C 243 12.996 -0.880 -10.761 1.00 41.24 C ATOM 2399 C LYS C 243 13.664 -1.829 -11.763 1.00 31.14 C ATOM 2400 O LYS C 243 14.216 -2.867 -11.385 1.00 51.14 O ATOM 2401 CB LYS C 243 13.804 0.385 -10.710 1.00 2.11 C ATOM 2402 CG LYS C 243 13.583 1.191 -9.455 1.00 61.42 C ATOM 2403 CD LYS C 243 14.183 2.536 -9.569 1.00 63.04 C ATOM 2404 CE LYS C 243 15.681 2.524 -9.920 1.00 40.02 C ATOM 2405 NZ LYS C 243 16.524 1.944 -8.854 1.00 63.54 N ATOM 0 H LYS C 243 13.587 -1.007 -8.775 1.00 51.15 H new ATOM 0 HA LYS C 243 11.972 -0.690 -11.082 1.00 41.24 H new ATOM 0 HB2 LYS C 243 14.862 0.134 -10.789 1.00 2.11 H new ATOM 0 HB3 LYS C 243 13.556 1.000 -11.575 1.00 2.11 H new ATOM 0 HG2 LYS C 243 12.514 1.282 -9.262 1.00 61.42 H new ATOM 0 HG3 LYS C 243 14.017 0.668 -8.603 1.00 61.42 H new ATOM 0 HD2 LYS C 243 13.646 3.099 -10.332 1.00 63.04 H new ATOM 0 HD3 LYS C 243 14.045 3.065 -8.626 1.00 63.04 H new ATOM 0 HE2 LYS C 243 15.828 1.957 -10.839 1.00 40.02 H new ATOM 0 HE3 LYS C 243 16.009 3.544 -10.119 1.00 40.02 H new ATOM 0 HZ1 LYS C 243 17.509 1.886 -9.183 1.00 63.54 H new ATOM 0 HZ2 LYS C 243 16.476 2.546 -8.007 1.00 63.54 H new ATOM 0 HZ3 LYS C 243 16.181 0.991 -8.620 1.00 63.54 H new ATOM 2461 N ARG C 247 13.180 -8.680 -9.358 1.00 12.40 N ATOM 2462 CA ARG C 247 12.166 -9.372 -8.601 1.00 34.04 C ATOM 2463 C ARG C 247 11.652 -8.434 -7.564 1.00 61.44 C ATOM 2464 O ARG C 247 12.213 -7.355 -7.396 1.00 53.31 O ATOM 2465 CB ARG C 247 12.658 -10.747 -8.013 1.00 20.40 C ATOM 2466 CG ARG C 247 13.980 -10.732 -7.237 1.00 40.02 C ATOM 2467 CD ARG C 247 13.901 -10.087 -5.868 1.00 3.14 C ATOM 2468 NE ARG C 247 13.063 -10.867 -4.960 1.00 44.34 N ATOM 2469 CZ ARG C 247 13.492 -11.440 -3.831 1.00 65.53 C ATOM 2470 NH1 ARG C 247 14.753 -11.250 -3.411 1.00 24.44 N ATOM 2471 NH2 ARG C 247 12.650 -12.188 -3.109 1.00 42.54 N ATOM 0 HA ARG C 247 11.350 -9.659 -9.264 1.00 34.04 H new ATOM 0 HB2 ARG C 247 11.881 -11.132 -7.353 1.00 20.40 H new ATOM 0 HB3 ARG C 247 12.755 -11.454 -8.837 1.00 20.40 H new ATOM 0 HG2 ARG C 247 14.330 -11.758 -7.121 1.00 40.02 H new ATOM 0 HG3 ARG C 247 14.728 -10.205 -7.830 1.00 40.02 H new ATOM 0 HD2 ARG C 247 14.903 -9.992 -5.450 1.00 3.14 H new ATOM 0 HD3 ARG C 247 13.498 -9.078 -5.962 1.00 3.14 H new ATOM 0 HE ARG C 247 12.080 -10.983 -5.205 1.00 44.34 H new ATOM 0 HH11 ARG C 247 15.389 -10.666 -3.954 1.00 24.44 H new ATOM 0 HH12 ARG C 247 15.075 -11.690 -2.549 1.00 24.44 H new ATOM 0 HH21 ARG C 247 11.688 -12.318 -3.421 1.00 42.54 H new ATOM 0 HH22 ARG C 247 12.970 -12.628 -2.247 1.00 42.54 H new ATOM 2485 N GLN C 248 10.612 -8.794 -6.901 1.00 0.11 N ATOM 2486 CA GLN C 248 10.040 -7.933 -5.899 1.00 62.25 C ATOM 2487 C GLN C 248 10.441 -8.416 -4.523 1.00 61.15 C ATOM 2488 O GLN C 248 10.611 -9.624 -4.304 1.00 24.22 O ATOM 2489 CB GLN C 248 8.505 -7.846 -6.019 1.00 24.21 C ATOM 2490 CG GLN C 248 7.740 -9.120 -5.667 1.00 20.22 C ATOM 2491 CD GLN C 248 8.017 -10.317 -6.566 1.00 75.51 C ATOM 2492 OE1 GLN C 248 8.317 -10.179 -7.758 1.00 42.21 O ATOM 2493 NE2 GLN C 248 7.944 -11.488 -5.997 1.00 72.14 N ATOM 0 H GLN C 248 10.128 -9.683 -7.027 1.00 0.11 H new ATOM 0 HA GLN C 248 10.429 -6.927 -6.058 1.00 62.25 H new ATOM 0 HB2 GLN C 248 8.153 -7.042 -5.372 1.00 24.21 H new ATOM 0 HB3 GLN C 248 8.254 -7.564 -7.042 1.00 24.21 H new ATOM 0 HG2 GLN C 248 7.979 -9.395 -4.640 1.00 20.22 H new ATOM 0 HG3 GLN C 248 6.672 -8.903 -5.698 1.00 20.22 H new ATOM 0 HE21 GLN C 248 7.693 -11.561 -5.011 1.00 72.14 H new ATOM 0 HE22 GLN C 248 8.138 -12.331 -6.538 1.00 72.14 H new ATOM 2502 N VAL C 249 10.582 -7.501 -3.618 1.00 12.43 N ATOM 2503 CA VAL C 249 10.999 -7.813 -2.272 1.00 23.11 C ATOM 2504 C VAL C 249 9.928 -7.429 -1.299 1.00 51.31 C ATOM 2505 O VAL C 249 9.050 -6.601 -1.611 1.00 41.02 O ATOM 2506 CB VAL C 249 12.365 -7.177 -1.860 1.00 12.45 C ATOM 2507 CG1 VAL C 249 13.497 -7.681 -2.743 1.00 13.55 C ATOM 2508 CG2 VAL C 249 12.310 -5.653 -1.858 1.00 72.33 C ATOM 0 H VAL C 249 10.412 -6.509 -3.784 1.00 12.43 H new ATOM 0 HA VAL C 249 11.158 -8.891 -2.249 1.00 23.11 H new ATOM 0 HB VAL C 249 12.567 -7.494 -0.837 1.00 12.45 H new ATOM 0 HG11 VAL C 249 14.434 -7.220 -2.431 1.00 13.55 H new ATOM 0 HG12 VAL C 249 13.577 -8.764 -2.650 1.00 13.55 H new ATOM 0 HG13 VAL C 249 13.292 -7.420 -3.781 1.00 13.55 H new ATOM 0 HG21 VAL C 249 13.281 -5.254 -1.566 1.00 72.33 H new ATOM 0 HG22 VAL C 249 12.057 -5.297 -2.857 1.00 72.33 H new ATOM 0 HG23 VAL C 249 11.552 -5.317 -1.150 1.00 72.33 H new ATOM 2518 N CYS C 250 9.967 -8.006 -0.160 1.00 43.41 N ATOM 2519 CA CYS C 250 8.992 -7.734 0.822 1.00 60.31 C ATOM 2520 C CYS C 250 9.615 -6.803 1.789 1.00 35.50 C ATOM 2521 O CYS C 250 10.703 -7.018 2.232 1.00 32.30 O ATOM 2522 CB CYS C 250 8.564 -9.010 1.519 1.00 33.43 C ATOM 2523 SG CYS C 250 7.838 -10.256 0.391 1.00 14.43 S ATOM 0 H CYS C 250 10.678 -8.682 0.119 1.00 43.41 H new ATOM 0 HA CYS C 250 8.099 -7.298 0.374 1.00 60.31 H new ATOM 0 HB2 CYS C 250 9.427 -9.447 2.021 1.00 33.43 H new ATOM 0 HB3 CYS C 250 7.836 -8.765 2.292 1.00 33.43 H new ATOM 2528 N ILE C 251 8.936 -5.777 2.100 1.00 20.21 N ATOM 2529 CA ILE C 251 9.481 -4.734 2.887 1.00 1.01 C ATOM 2530 C ILE C 251 8.909 -4.810 4.267 1.00 30.30 C ATOM 2531 O ILE C 251 7.712 -5.101 4.441 1.00 65.34 O ATOM 2532 CB ILE C 251 9.130 -3.353 2.259 1.00 62.42 C ATOM 2533 CG1 ILE C 251 9.646 -3.251 0.821 1.00 72.34 C ATOM 2534 CG2 ILE C 251 9.679 -2.213 3.084 1.00 64.45 C ATOM 2535 CD1 ILE C 251 11.148 -3.391 0.683 1.00 43.22 C ATOM 0 H ILE C 251 7.968 -5.627 1.814 1.00 20.21 H new ATOM 0 HA ILE C 251 10.565 -4.842 2.927 1.00 1.01 H new ATOM 0 HB ILE C 251 8.043 -3.276 2.247 1.00 62.42 H new ATOM 0 HG12 ILE C 251 9.165 -4.022 0.220 1.00 72.34 H new ATOM 0 HG13 ILE C 251 9.344 -2.289 0.407 1.00 72.34 H new ATOM 0 HG21 ILE C 251 9.415 -1.265 2.616 1.00 64.45 H new ATOM 0 HG22 ILE C 251 9.255 -2.253 4.087 1.00 64.45 H new ATOM 0 HG23 ILE C 251 10.764 -2.298 3.145 1.00 64.45 H new ATOM 0 HD11 ILE C 251 11.426 -3.306 -0.367 1.00 43.22 H new ATOM 0 HD12 ILE C 251 11.641 -2.604 1.254 1.00 43.22 H new ATOM 0 HD13 ILE C 251 11.459 -4.364 1.064 1.00 43.22 H new ATOM 2547 N ASP C 252 9.758 -4.601 5.242 1.00 53.25 N ATOM 2548 CA ASP C 252 9.322 -4.581 6.614 1.00 72.21 C ATOM 2549 C ASP C 252 8.416 -3.381 6.780 1.00 10.22 C ATOM 2550 O ASP C 252 8.829 -2.246 6.517 1.00 75.35 O ATOM 2551 CB ASP C 252 10.508 -4.494 7.567 1.00 30.41 C ATOM 2552 CG ASP C 252 10.106 -4.691 9.004 1.00 51.42 C ATOM 2553 OD1 ASP C 252 9.507 -3.786 9.614 1.00 5.42 O ATOM 2554 OD2 ASP C 252 10.397 -5.774 9.546 1.00 3.13 O ATOM 0 H ASP C 252 10.757 -4.442 5.110 1.00 53.25 H new ATOM 0 HA ASP C 252 8.791 -5.502 6.854 1.00 72.21 H new ATOM 0 HB2 ASP C 252 11.247 -5.247 7.293 1.00 30.41 H new ATOM 0 HB3 ASP C 252 10.988 -3.522 7.457 1.00 30.41 H new ATOM 2559 N PRO C 253 7.171 -3.608 7.194 1.00 35.54 N ATOM 2560 CA PRO C 253 6.163 -2.558 7.258 1.00 13.43 C ATOM 2561 C PRO C 253 6.426 -1.515 8.315 1.00 31.44 C ATOM 2562 O PRO C 253 5.702 -0.543 8.394 1.00 4.24 O ATOM 2563 CB PRO C 253 4.875 -3.311 7.573 1.00 41.34 C ATOM 2564 CG PRO C 253 5.323 -4.545 8.258 1.00 1.21 C ATOM 2565 CD PRO C 253 6.641 -4.905 7.646 1.00 41.14 C ATOM 0 HA PRO C 253 6.140 -1.994 6.326 1.00 13.43 H new ATOM 0 HB2 PRO C 253 4.216 -2.721 8.210 1.00 41.34 H new ATOM 0 HB3 PRO C 253 4.318 -3.541 6.665 1.00 41.34 H new ATOM 0 HG2 PRO C 253 5.424 -4.381 9.331 1.00 1.21 H new ATOM 0 HG3 PRO C 253 4.599 -5.349 8.125 1.00 1.21 H new ATOM 0 HD2 PRO C 253 7.304 -5.380 8.369 1.00 41.14 H new ATOM 0 HD3 PRO C 253 6.522 -5.602 6.816 1.00 41.14 H new ATOM 2573 N LYS C 254 7.436 -1.713 9.139 1.00 3.24 N ATOM 2574 CA LYS C 254 7.710 -0.762 10.151 1.00 70.34 C ATOM 2575 C LYS C 254 9.067 -0.061 9.967 1.00 44.32 C ATOM 2576 O LYS C 254 9.601 0.551 10.895 1.00 51.50 O ATOM 2577 CB LYS C 254 7.493 -1.362 11.537 1.00 32.54 C ATOM 2578 CG LYS C 254 6.051 -1.867 11.697 1.00 64.13 C ATOM 2579 CD LYS C 254 5.685 -2.291 13.106 1.00 73.02 C ATOM 2580 CE LYS C 254 6.533 -3.424 13.634 1.00 5.42 C ATOM 2581 NZ LYS C 254 6.080 -3.848 14.974 1.00 75.33 N ATOM 0 H LYS C 254 8.062 -2.518 9.114 1.00 3.24 H new ATOM 0 HA LYS C 254 6.985 0.046 10.053 1.00 70.34 H new ATOM 0 HB2 LYS C 254 8.190 -2.185 11.694 1.00 32.54 H new ATOM 0 HB3 LYS C 254 7.707 -0.613 12.299 1.00 32.54 H new ATOM 0 HG2 LYS C 254 5.367 -1.080 11.379 1.00 64.13 H new ATOM 0 HG3 LYS C 254 5.899 -2.712 11.026 1.00 64.13 H new ATOM 0 HD2 LYS C 254 5.783 -1.434 13.772 1.00 73.02 H new ATOM 0 HD3 LYS C 254 4.638 -2.592 13.126 1.00 73.02 H new ATOM 0 HE2 LYS C 254 6.486 -4.269 12.947 1.00 5.42 H new ATOM 0 HE3 LYS C 254 7.576 -3.110 13.682 1.00 5.42 H new ATOM 0 HZ1 LYS C 254 6.903 -4.116 15.550 1.00 75.33 H new ATOM 0 HZ2 LYS C 254 5.576 -3.063 15.435 1.00 75.33 H new ATOM 0 HZ3 LYS C 254 5.441 -4.663 14.883 1.00 75.33 H new ATOM 2595 N LEU C 255 9.599 -0.106 8.742 1.00 33.14 N ATOM 2596 CA LEU C 255 10.794 0.646 8.391 1.00 4.43 C ATOM 2597 C LEU C 255 10.556 2.134 8.494 1.00 64.41 C ATOM 2598 O LEU C 255 9.446 2.597 8.286 1.00 30.25 O ATOM 2599 CB LEU C 255 11.217 0.330 6.978 1.00 45.44 C ATOM 2600 CG LEU C 255 11.874 -1.001 6.758 1.00 3.25 C ATOM 2601 CD1 LEU C 255 12.098 -1.220 5.287 1.00 65.04 C ATOM 2602 CD2 LEU C 255 13.195 -1.043 7.487 1.00 1.45 C ATOM 0 H LEU C 255 9.214 -0.660 7.977 1.00 33.14 H new ATOM 0 HA LEU C 255 11.576 0.356 9.093 1.00 4.43 H new ATOM 0 HB2 LEU C 255 10.337 0.386 6.338 1.00 45.44 H new ATOM 0 HB3 LEU C 255 11.903 1.109 6.645 1.00 45.44 H new ATOM 0 HG LEU C 255 11.227 -1.789 7.143 1.00 3.25 H new ATOM 0 HD11 LEU C 255 12.575 -2.188 5.132 1.00 65.04 H new ATOM 0 HD12 LEU C 255 11.141 -1.200 4.766 1.00 65.04 H new ATOM 0 HD13 LEU C 255 12.741 -0.431 4.895 1.00 65.04 H new ATOM 0 HD21 LEU C 255 13.669 -2.011 7.325 1.00 1.45 H new ATOM 0 HD22 LEU C 255 13.844 -0.253 7.109 1.00 1.45 H new ATOM 0 HD23 LEU C 255 13.027 -0.895 8.554 1.00 1.45 H new ATOM 2614 N LYS C 256 11.624 2.886 8.766 1.00 12.44 N ATOM 2615 CA LYS C 256 11.556 4.334 8.920 1.00 35.22 C ATOM 2616 C LYS C 256 10.909 4.973 7.701 1.00 62.45 C ATOM 2617 O LYS C 256 9.994 5.778 7.834 1.00 22.43 O ATOM 2618 CB LYS C 256 12.951 4.918 9.088 1.00 62.13 C ATOM 2619 CG LYS C 256 12.960 6.422 9.274 1.00 62.52 C ATOM 2620 CD LYS C 256 14.361 6.955 9.233 1.00 2.35 C ATOM 2621 CE LYS C 256 14.374 8.459 9.288 1.00 73.44 C ATOM 2622 NZ LYS C 256 15.726 9.017 9.093 1.00 63.40 N ATOM 0 H LYS C 256 12.562 2.503 8.885 1.00 12.44 H new ATOM 0 HA LYS C 256 10.958 4.545 9.806 1.00 35.22 H new ATOM 0 HB2 LYS C 256 13.430 4.451 9.948 1.00 62.13 H new ATOM 0 HB3 LYS C 256 13.550 4.665 8.213 1.00 62.13 H new ATOM 0 HG2 LYS C 256 12.364 6.893 8.493 1.00 62.52 H new ATOM 0 HG3 LYS C 256 12.496 6.678 10.227 1.00 62.52 H new ATOM 0 HD2 LYS C 256 14.930 6.553 10.071 1.00 2.35 H new ATOM 0 HD3 LYS C 256 14.855 6.618 8.322 1.00 2.35 H new ATOM 0 HE2 LYS C 256 13.707 8.854 8.522 1.00 73.44 H new ATOM 0 HE3 LYS C 256 13.983 8.788 10.251 1.00 73.44 H new ATOM 0 HZ1 LYS C 256 15.683 10.055 9.139 1.00 63.40 H new ATOM 0 HZ2 LYS C 256 16.359 8.663 9.839 1.00 63.40 H new ATOM 0 HZ3 LYS C 256 16.091 8.727 8.163 1.00 63.40 H new ATOM 2636 N TRP C 257 11.375 4.584 6.518 1.00 43.31 N ATOM 2637 CA TRP C 257 10.853 5.146 5.287 1.00 12.13 C ATOM 2638 C TRP C 257 9.403 4.741 5.022 1.00 44.21 C ATOM 2639 O TRP C 257 8.658 5.468 4.371 1.00 63.32 O ATOM 2640 CB TRP C 257 11.790 4.941 4.070 1.00 54.41 C ATOM 2641 CG TRP C 257 12.162 3.516 3.711 1.00 52.52 C ATOM 2642 CD1 TRP C 257 13.156 2.755 4.266 1.00 45.21 C ATOM 2643 CD2 TRP C 257 11.580 2.710 2.673 1.00 62.12 C ATOM 2644 NE1 TRP C 257 13.220 1.540 3.638 1.00 74.44 N ATOM 2645 CE2 TRP C 257 12.264 1.480 2.664 1.00 1.31 C ATOM 2646 CE3 TRP C 257 10.543 2.906 1.756 1.00 43.33 C ATOM 2647 CZ2 TRP C 257 11.952 0.459 1.774 1.00 4.45 C ATOM 2648 CZ3 TRP C 257 10.234 1.890 0.873 1.00 51.31 C ATOM 2649 CH2 TRP C 257 10.934 0.679 0.890 1.00 62.33 C ATOM 0 H TRP C 257 12.108 3.886 6.391 1.00 43.31 H new ATOM 0 HA TRP C 257 10.831 6.225 5.438 1.00 12.13 H new ATOM 0 HB2 TRP C 257 11.317 5.395 3.200 1.00 54.41 H new ATOM 0 HB3 TRP C 257 12.711 5.493 4.257 1.00 54.41 H new ATOM 0 HD1 TRP C 257 13.795 3.067 5.079 1.00 45.21 H new ATOM 0 HE1 TRP C 257 13.879 0.795 3.863 1.00 74.44 H new ATOM 0 HE3 TRP C 257 9.993 3.835 1.738 1.00 43.33 H new ATOM 0 HZ2 TRP C 257 12.495 -0.475 1.781 1.00 4.45 H new ATOM 0 HZ3 TRP C 257 9.438 2.033 0.157 1.00 51.31 H new ATOM 0 HH2 TRP C 257 10.664 -0.098 0.190 1.00 62.33 H new ATOM 2660 N ILE C 258 9.001 3.598 5.541 1.00 60.13 N ATOM 2661 CA ILE C 258 7.622 3.174 5.415 1.00 13.24 C ATOM 2662 C ILE C 258 6.741 4.018 6.327 1.00 34.11 C ATOM 2663 O ILE C 258 5.731 4.573 5.874 1.00 1.45 O ATOM 2664 CB ILE C 258 7.430 1.658 5.701 1.00 13.41 C ATOM 2665 CG1 ILE C 258 8.167 0.819 4.651 1.00 74.14 C ATOM 2666 CG2 ILE C 258 5.949 1.291 5.729 1.00 2.52 C ATOM 2667 CD1 ILE C 258 7.691 1.056 3.227 1.00 22.41 C ATOM 0 H ILE C 258 9.604 2.951 6.050 1.00 60.13 H new ATOM 0 HA ILE C 258 7.323 3.327 4.378 1.00 13.24 H new ATOM 0 HB ILE C 258 7.852 1.442 6.682 1.00 13.41 H new ATOM 0 HG12 ILE C 258 9.233 1.038 4.708 1.00 74.14 H new ATOM 0 HG13 ILE C 258 8.045 -0.237 4.893 1.00 74.14 H new ATOM 0 HG21 ILE C 258 5.842 0.225 5.931 1.00 2.52 H new ATOM 0 HG22 ILE C 258 5.448 1.861 6.512 1.00 2.52 H new ATOM 0 HG23 ILE C 258 5.498 1.525 4.765 1.00 2.52 H new ATOM 0 HD11 ILE C 258 8.260 0.426 2.543 1.00 22.41 H new ATOM 0 HD12 ILE C 258 6.632 0.809 3.151 1.00 22.41 H new ATOM 0 HD13 ILE C 258 7.839 2.103 2.964 1.00 22.41 H new ATOM 2679 N GLN C 259 7.144 4.135 7.610 1.00 35.13 N ATOM 2680 CA GLN C 259 6.430 4.963 8.590 1.00 53.00 C ATOM 2681 C GLN C 259 6.259 6.357 8.033 1.00 63.22 C ATOM 2682 O GLN C 259 5.178 6.935 8.107 1.00 50.32 O ATOM 2683 CB GLN C 259 7.198 5.063 9.926 1.00 52.34 C ATOM 2684 CG GLN C 259 7.745 3.748 10.449 1.00 44.51 C ATOM 2685 CD GLN C 259 6.741 2.628 10.406 1.00 21.44 C ATOM 2686 OE1 GLN C 259 6.640 1.947 9.429 1.00 24.54 O ATOM 2687 NE2 GLN C 259 6.023 2.424 11.451 1.00 21.31 N ATOM 0 H GLN C 259 7.965 3.662 7.987 1.00 35.13 H new ATOM 0 HA GLN C 259 5.465 4.493 8.780 1.00 53.00 H new ATOM 0 HB2 GLN C 259 8.027 5.760 9.801 1.00 52.34 H new ATOM 0 HB3 GLN C 259 6.534 5.489 10.679 1.00 52.34 H new ATOM 0 HG2 GLN C 259 8.619 3.466 9.862 1.00 44.51 H new ATOM 0 HG3 GLN C 259 8.082 3.885 11.476 1.00 44.51 H new ATOM 0 HE21 GLN C 259 6.132 3.022 12.270 1.00 21.31 H new ATOM 0 HE22 GLN C 259 5.343 1.663 11.462 1.00 21.31 H new ATOM 2696 N GLU C 260 7.340 6.870 7.455 1.00 44.05 N ATOM 2697 CA GLU C 260 7.358 8.162 6.806 1.00 74.02 C ATOM 2698 C GLU C 260 6.280 8.277 5.754 1.00 22.14 C ATOM 2699 O GLU C 260 5.472 9.203 5.794 1.00 72.32 O ATOM 2700 CB GLU C 260 8.716 8.379 6.134 1.00 24.53 C ATOM 2701 CG GLU C 260 9.770 9.035 6.994 1.00 0.44 C ATOM 2702 CD GLU C 260 9.452 10.494 7.188 1.00 61.33 C ATOM 2703 OE1 GLU C 260 9.701 11.291 6.237 1.00 54.20 O ATOM 2704 OE2 GLU C 260 8.914 10.873 8.245 1.00 0.34 O ATOM 0 H GLU C 260 8.238 6.387 7.428 1.00 44.05 H new ATOM 0 HA GLU C 260 7.178 8.916 7.572 1.00 74.02 H new ATOM 0 HB2 GLU C 260 9.095 7.413 5.799 1.00 24.53 H new ATOM 0 HB3 GLU C 260 8.568 8.989 5.243 1.00 24.53 H new ATOM 0 HG2 GLU C 260 9.822 8.535 7.961 1.00 0.44 H new ATOM 0 HG3 GLU C 260 10.749 8.928 6.527 1.00 0.44 H new ATOM 2711 N TYR C 261 6.243 7.315 4.867 1.00 52.12 N ATOM 2712 CA TYR C 261 5.382 7.350 3.707 1.00 22.03 C ATOM 2713 C TYR C 261 3.919 7.262 4.107 1.00 24.44 C ATOM 2714 O TYR C 261 3.098 8.045 3.644 1.00 1.42 O ATOM 2715 CB TYR C 261 5.733 6.192 2.799 1.00 33.02 C ATOM 2716 CG TYR C 261 5.369 6.394 1.357 1.00 14.13 C ATOM 2717 CD1 TYR C 261 6.264 7.025 0.531 1.00 14.40 C ATOM 2718 CD2 TYR C 261 4.175 5.946 0.819 1.00 0.34 C ATOM 2719 CE1 TYR C 261 6.035 7.225 -0.786 1.00 30.22 C ATOM 2720 CE2 TYR C 261 3.899 6.132 -0.526 1.00 52.51 C ATOM 2721 CZ TYR C 261 4.837 6.771 -1.334 1.00 63.13 C ATOM 2722 OH TYR C 261 4.569 6.962 -2.673 1.00 32.14 O ATOM 0 H TYR C 261 6.816 6.474 4.929 1.00 52.12 H new ATOM 0 HA TYR C 261 5.533 8.296 3.187 1.00 22.03 H new ATOM 0 HB2 TYR C 261 6.805 6.007 2.867 1.00 33.02 H new ATOM 0 HB3 TYR C 261 5.231 5.296 3.164 1.00 33.02 H new ATOM 0 HD1 TYR C 261 7.194 7.378 0.952 1.00 14.40 H new ATOM 0 HD2 TYR C 261 3.454 5.449 1.451 1.00 0.34 H new ATOM 0 HE1 TYR C 261 6.767 7.727 -1.402 1.00 30.22 H new ATOM 0 HE2 TYR C 261 2.966 5.785 -0.944 1.00 52.51 H new ATOM 0 HH TYR C 261 3.691 6.583 -2.888 1.00 32.14 H new ATOM 2732 N LEU C 262 3.611 6.311 4.972 1.00 73.14 N ATOM 2733 CA LEU C 262 2.241 6.070 5.430 1.00 40.23 C ATOM 2734 C LEU C 262 1.679 7.299 6.118 1.00 11.32 C ATOM 2735 O LEU C 262 0.581 7.758 5.807 1.00 2.12 O ATOM 2736 CB LEU C 262 2.227 4.913 6.434 1.00 13.33 C ATOM 2737 CG LEU C 262 2.774 3.575 5.954 1.00 62.25 C ATOM 2738 CD1 LEU C 262 2.794 2.582 7.103 1.00 63.21 C ATOM 2739 CD2 LEU C 262 1.950 3.031 4.796 1.00 71.45 C ATOM 0 H LEU C 262 4.300 5.680 5.381 1.00 73.14 H new ATOM 0 HA LEU C 262 1.633 5.829 4.558 1.00 40.23 H new ATOM 0 HB2 LEU C 262 2.799 5.218 7.310 1.00 13.33 H new ATOM 0 HB3 LEU C 262 1.199 4.761 6.761 1.00 13.33 H new ATOM 0 HG LEU C 262 3.793 3.727 5.597 1.00 62.25 H new ATOM 0 HD11 LEU C 262 3.186 1.627 6.752 1.00 63.21 H new ATOM 0 HD12 LEU C 262 3.429 2.964 7.903 1.00 63.21 H new ATOM 0 HD13 LEU C 262 1.781 2.441 7.480 1.00 63.21 H new ATOM 0 HD21 LEU C 262 2.363 2.075 4.473 1.00 71.45 H new ATOM 0 HD22 LEU C 262 0.918 2.891 5.118 1.00 71.45 H new ATOM 0 HD23 LEU C 262 1.978 3.737 3.966 1.00 71.45 H new ATOM 2751 N GLU C 263 2.466 7.830 7.024 1.00 42.55 N ATOM 2752 CA GLU C 263 2.085 8.929 7.881 1.00 73.00 C ATOM 2753 C GLU C 263 1.776 10.193 7.032 1.00 55.33 C ATOM 2754 O GLU C 263 0.778 10.855 7.239 1.00 14.45 O ATOM 2755 CB GLU C 263 3.252 9.146 8.862 1.00 52.24 C ATOM 2756 CG GLU C 263 2.895 9.563 10.285 1.00 40.33 C ATOM 2757 CD GLU C 263 2.399 10.962 10.430 1.00 61.44 C ATOM 2758 OE1 GLU C 263 3.243 11.888 10.543 1.00 32.40 O ATOM 2759 OE2 GLU C 263 1.187 11.166 10.493 1.00 43.45 O ATOM 0 H GLU C 263 3.417 7.500 7.190 1.00 42.55 H new ATOM 0 HA GLU C 263 1.173 8.714 8.438 1.00 73.00 H new ATOM 0 HB2 GLU C 263 3.826 8.221 8.915 1.00 52.24 H new ATOM 0 HB3 GLU C 263 3.910 9.906 8.442 1.00 52.24 H new ATOM 0 HG2 GLU C 263 2.133 8.883 10.666 1.00 40.33 H new ATOM 0 HG3 GLU C 263 3.776 9.439 10.915 1.00 40.33 H new ATOM 2766 N LYS C 264 2.610 10.470 6.033 1.00 71.43 N ATOM 2767 CA LYS C 264 2.433 11.671 5.194 1.00 61.44 C ATOM 2768 C LYS C 264 1.392 11.452 4.082 1.00 64.55 C ATOM 2769 O LYS C 264 0.874 12.397 3.491 1.00 50.44 O ATOM 2770 CB LYS C 264 3.801 12.124 4.632 1.00 2.20 C ATOM 2771 CG LYS C 264 4.525 11.123 3.705 1.00 63.20 C ATOM 2772 CD LYS C 264 3.965 11.059 2.291 1.00 64.44 C ATOM 2773 CE LYS C 264 4.172 12.361 1.550 1.00 43.11 C ATOM 2774 NZ LYS C 264 5.614 12.682 1.364 1.00 25.14 N ATOM 0 H LYS C 264 3.410 9.891 5.779 1.00 71.43 H new ATOM 0 HA LYS C 264 2.037 12.472 5.819 1.00 61.44 H new ATOM 0 HB2 LYS C 264 3.654 13.054 4.083 1.00 2.20 H new ATOM 0 HB3 LYS C 264 4.458 12.350 5.472 1.00 2.20 H new ATOM 0 HG2 LYS C 264 5.580 11.392 3.653 1.00 63.20 H new ATOM 0 HG3 LYS C 264 4.471 10.129 4.150 1.00 63.20 H new ATOM 0 HD2 LYS C 264 4.447 10.248 1.745 1.00 64.44 H new ATOM 0 HD3 LYS C 264 2.901 10.828 2.331 1.00 64.44 H new ATOM 0 HE2 LYS C 264 3.686 12.303 0.576 1.00 43.11 H new ATOM 0 HE3 LYS C 264 3.690 13.170 2.099 1.00 43.11 H new ATOM 0 HZ1 LYS C 264 5.714 13.429 0.647 1.00 25.14 H new ATOM 0 HZ2 LYS C 264 6.015 13.011 2.265 1.00 25.14 H new ATOM 0 HZ3 LYS C 264 6.121 11.830 1.050 1.00 25.14 H new ATOM 2788 N CYS C 265 1.106 10.208 3.822 1.00 72.35 N ATOM 2789 CA CYS C 265 0.126 9.803 2.780 1.00 23.51 C ATOM 2790 C CYS C 265 -1.285 9.965 3.295 1.00 22.34 C ATOM 2791 O CYS C 265 -2.236 10.037 2.519 1.00 13.21 O ATOM 2792 CB CYS C 265 0.370 8.339 2.285 1.00 33.50 C ATOM 2793 SG CYS C 265 -0.921 7.643 1.155 1.00 73.04 S ATOM 0 H CYS C 265 1.532 9.422 4.313 1.00 72.35 H new ATOM 0 HA CYS C 265 0.267 10.461 1.922 1.00 23.51 H new ATOM 0 HB2 CYS C 265 1.331 8.305 1.772 1.00 33.50 H new ATOM 0 HB3 CYS C 265 0.451 7.690 3.157 1.00 33.50 H new ATOM 2798 N LEU C 266 -1.397 10.057 4.624 1.00 50.20 N ATOM 2799 CA LEU C 266 -2.659 10.209 5.305 1.00 31.03 C ATOM 2800 C LEU C 266 -3.375 11.443 4.712 1.00 11.22 C ATOM 2801 O LEU C 266 -4.544 11.384 4.386 1.00 2.55 O ATOM 2802 CB LEU C 266 -2.363 10.408 6.813 1.00 31.20 C ATOM 2803 CG LEU C 266 -3.382 9.869 7.832 1.00 2.22 C ATOM 2804 CD1 LEU C 266 -4.745 10.438 7.637 1.00 13.34 C ATOM 2805 CD2 LEU C 266 -3.421 8.355 7.789 1.00 11.01 C ATOM 0 H LEU C 266 -0.595 10.026 5.253 1.00 50.20 H new ATOM 0 HA LEU C 266 -3.299 9.336 5.181 1.00 31.03 H new ATOM 0 HB2 LEU C 266 -1.401 9.944 7.027 1.00 31.20 H new ATOM 0 HB3 LEU C 266 -2.248 11.477 6.991 1.00 31.20 H new ATOM 0 HG LEU C 266 -3.048 10.190 8.819 1.00 2.22 H new ATOM 0 HD11 LEU C 266 -5.423 10.023 8.383 1.00 13.34 H new ATOM 0 HD12 LEU C 266 -4.706 11.522 7.746 1.00 13.34 H new ATOM 0 HD13 LEU C 266 -5.105 10.186 6.640 1.00 13.34 H new ATOM 0 HD21 LEU C 266 -4.146 7.989 8.515 1.00 11.01 H new ATOM 0 HD22 LEU C 266 -3.710 8.027 6.791 1.00 11.01 H new ATOM 0 HD23 LEU C 266 -2.435 7.959 8.030 1.00 11.01 H new ATOM 2817 N ASN C 267 -2.601 12.543 4.569 1.00 33.21 N ATOM 2818 CA ASN C 267 -3.030 13.841 3.949 1.00 11.52 C ATOM 2819 C ASN C 267 -2.124 14.896 4.524 1.00 45.24 C ATOM 2820 O ASN C 267 -1.755 15.879 3.872 1.00 71.34 O ATOM 2821 CB ASN C 267 -4.508 14.225 4.305 1.00 4.12 C ATOM 2822 CG ASN C 267 -5.111 15.418 3.504 1.00 31.12 C ATOM 2823 OD1 ASN C 267 -6.310 15.450 3.260 1.00 51.14 O ATOM 2824 ND2 ASN C 267 -4.320 16.387 3.108 1.00 35.34 N ATOM 0 H ASN C 267 -1.632 12.564 4.887 1.00 33.21 H new ATOM 0 HA ASN C 267 -2.972 13.755 2.864 1.00 11.52 H new ATOM 0 HB2 ASN C 267 -5.139 13.350 4.147 1.00 4.12 H new ATOM 0 HB3 ASN C 267 -4.555 14.464 5.367 1.00 4.12 H new ATOM 0 HD21 ASN C 267 -4.703 17.178 2.591 1.00 35.34 H new ATOM 0 HD22 ASN C 267 -3.322 16.349 3.317 1.00 35.34 H new ATOM 3120 N GLY D 319 14.292 -12.454 2.834 1.00 23.55 N ATOM 3121 CA GLY D 319 14.999 -12.764 4.053 1.00 71.34 C ATOM 3122 C GLY D 319 16.414 -12.309 3.943 1.00 73.14 C ATOM 3123 O GLY D 319 17.349 -13.018 4.328 1.00 52.45 O ATOM 0 HA2 GLY D 319 14.515 -12.277 4.899 1.00 71.34 H new ATOM 0 HA3 GLY D 319 14.966 -13.837 4.241 1.00 71.34 H new ATOM 3127 N ASP D 320 16.572 -11.128 3.410 1.00 22.22 N ATOM 3128 CA ASP D 320 17.869 -10.569 3.145 1.00 21.12 C ATOM 3129 C ASP D 320 17.746 -9.060 3.284 1.00 5.41 C ATOM 3130 O ASP D 320 16.722 -8.598 3.801 1.00 4.41 O ATOM 3131 CB ASP D 320 18.265 -10.960 1.738 1.00 55.14 C ATOM 3132 CG ASP D 320 19.708 -10.677 1.399 1.00 50.43 C ATOM 3133 OD1 ASP D 320 20.575 -11.501 1.758 1.00 53.23 O ATOM 3134 OD2 ASP D 320 19.997 -9.646 0.752 1.00 33.40 O ATOM 0 H ASP D 320 15.796 -10.521 3.145 1.00 22.22 H new ATOM 0 HA ASP D 320 18.630 -10.933 3.835 1.00 21.12 H new ATOM 0 HB2 ASP D 320 18.074 -12.024 1.601 1.00 55.14 H new ATOM 0 HB3 ASP D 320 17.627 -10.428 1.032 1.00 55.14 H new ATOM 3163 N ASP D 322 19.484 -7.403 5.269 1.00 33.23 N ATOM 3164 CA ASP D 322 19.483 -7.452 6.743 1.00 22.54 C ATOM 3165 C ASP D 322 18.245 -8.144 7.247 1.00 72.23 C ATOM 3166 O ASP D 322 18.333 -9.129 7.975 1.00 62.13 O ATOM 3167 CB ASP D 322 19.644 -6.099 7.397 1.00 24.12 C ATOM 3168 CG ASP D 322 21.018 -5.493 7.233 1.00 41.44 C ATOM 3169 OD1 ASP D 322 21.284 -4.860 6.194 1.00 53.41 O ATOM 3170 OD2 ASP D 322 21.855 -5.621 8.157 1.00 12.52 O ATOM 0 HA ASP D 322 20.363 -8.029 7.028 1.00 22.54 H new ATOM 0 HB2 ASP D 322 18.905 -5.415 6.979 1.00 24.12 H new ATOM 0 HB3 ASP D 322 19.425 -6.193 8.461 1.00 24.12 H new ATOM 3175 N SER D 323 17.105 -7.600 6.879 1.00 44.13 N ATOM 3176 CA SER D 323 15.819 -8.208 7.089 1.00 22.20 C ATOM 3177 C SER D 323 15.236 -8.066 8.526 1.00 21.24 C ATOM 3178 O SER D 323 15.877 -8.402 9.521 1.00 22.05 O ATOM 3179 CB SER D 323 15.806 -9.654 6.506 1.00 74.11 C ATOM 3180 OG SER D 323 14.601 -10.355 6.767 1.00 70.11 O ATOM 0 H SER D 323 17.051 -6.695 6.412 1.00 44.13 H new ATOM 0 HA SER D 323 15.096 -7.624 6.520 1.00 22.20 H new ATOM 0 HB2 SER D 323 15.963 -9.605 5.429 1.00 74.11 H new ATOM 0 HB3 SER D 323 16.642 -10.214 6.925 1.00 74.11 H new ATOM 0 HG SER D 323 13.838 -9.810 6.483 1.00 70.11 H new ATOM 3186 N MET D 324 13.988 -7.539 8.570 1.00 23.33 N ATOM 3187 CA MET D 324 13.164 -7.325 9.785 1.00 0.03 C ATOM 3188 C MET D 324 13.616 -6.184 10.697 1.00 23.21 C ATOM 3189 O MET D 324 14.784 -6.088 11.083 1.00 63.54 O ATOM 3190 CB MET D 324 12.864 -8.619 10.551 1.00 51.53 C ATOM 3191 CG MET D 324 12.005 -9.589 9.760 1.00 11.45 C ATOM 3192 SD MET D 324 11.578 -11.096 10.666 1.00 51.42 S ATOM 3193 CE MET D 324 13.192 -11.811 10.944 1.00 63.22 C ATOM 0 H MET D 324 13.507 -7.238 7.722 1.00 23.33 H new ATOM 0 HA MET D 324 12.213 -6.974 9.383 1.00 0.03 H new ATOM 0 HB2 MET D 324 13.803 -9.105 10.814 1.00 51.53 H new ATOM 0 HB3 MET D 324 12.359 -8.373 11.485 1.00 51.53 H new ATOM 0 HG2 MET D 324 11.087 -9.084 9.460 1.00 11.45 H new ATOM 0 HG3 MET D 324 12.531 -9.863 8.846 1.00 11.45 H new ATOM 0 HE1 MET D 324 13.081 -12.852 11.247 1.00 63.22 H new ATOM 0 HE2 MET D 324 13.776 -11.760 10.025 1.00 63.22 H new ATOM 0 HE3 MET D 324 13.705 -11.257 11.730 1.00 63.22 H new ATOM 3203 N LYS D 325 12.664 -5.318 11.022 1.00 55.10 N ATOM 3204 CA LYS D 325 12.875 -4.129 11.844 1.00 45.31 C ATOM 3205 C LYS D 325 11.679 -3.829 12.756 1.00 44.43 C ATOM 3206 O LYS D 325 10.759 -4.642 12.916 1.00 63.32 O ATOM 3207 CB LYS D 325 13.123 -2.905 10.941 1.00 51.01 C ATOM 3208 CG LYS D 325 14.515 -2.791 10.374 1.00 60.41 C ATOM 3209 CD LYS D 325 15.487 -2.360 11.449 1.00 33.25 C ATOM 3210 CE LYS D 325 15.221 -0.925 11.913 1.00 32.33 C ATOM 3211 NZ LYS D 325 16.151 -0.513 12.977 1.00 53.45 N ATOM 0 H LYS D 325 11.698 -5.425 10.714 1.00 55.10 H new ATOM 0 HA LYS D 325 13.742 -4.329 12.473 1.00 45.31 H new ATOM 0 HB2 LYS D 325 12.414 -2.935 10.114 1.00 51.01 H new ATOM 0 HB3 LYS D 325 12.907 -2.003 11.513 1.00 51.01 H new ATOM 0 HG2 LYS D 325 14.825 -3.749 9.957 1.00 60.41 H new ATOM 0 HG3 LYS D 325 14.524 -2.070 9.556 1.00 60.41 H new ATOM 0 HD2 LYS D 325 15.412 -3.037 12.300 1.00 33.25 H new ATOM 0 HD3 LYS D 325 16.506 -2.437 11.070 1.00 33.25 H new ATOM 0 HE2 LYS D 325 15.314 -0.246 11.066 1.00 32.33 H new ATOM 0 HE3 LYS D 325 14.196 -0.844 12.275 1.00 32.33 H new ATOM 0 HZ1 LYS D 325 16.296 0.516 12.932 1.00 53.45 H new ATOM 0 HZ2 LYS D 325 15.752 -0.766 13.904 1.00 53.45 H new ATOM 0 HZ3 LYS D 325 17.062 -0.997 12.848 1.00 53.45 H new ATOM 3225 N GLU D 326 11.748 -2.671 13.378 1.00 14.42 N ATOM 3226 CA GLU D 326 10.711 -2.096 14.196 1.00 13.14 C ATOM 3227 C GLU D 326 10.666 -0.597 13.828 1.00 30.34 C ATOM 3228 O GLU D 326 11.647 -0.098 13.255 1.00 63.22 O ATOM 3229 CB GLU D 326 10.998 -2.323 15.717 1.00 33.22 C ATOM 3230 CG GLU D 326 12.280 -1.689 16.282 1.00 52.40 C ATOM 3231 CD GLU D 326 13.560 -2.246 15.701 1.00 34.02 C ATOM 3232 OE1 GLU D 326 14.037 -3.292 16.175 1.00 34.23 O ATOM 3233 OE2 GLU D 326 14.119 -1.631 14.773 1.00 71.32 O ATOM 0 H GLU D 326 12.575 -2.077 13.321 1.00 14.42 H new ATOM 0 HA GLU D 326 9.745 -2.567 14.013 1.00 13.14 H new ATOM 0 HB2 GLU D 326 10.150 -1.938 16.284 1.00 33.22 H new ATOM 0 HB3 GLU D 326 11.042 -3.397 15.898 1.00 33.22 H new ATOM 0 HG2 GLU D 326 12.250 -0.615 16.100 1.00 52.40 H new ATOM 0 HG3 GLU D 326 12.294 -1.829 17.363 1.00 52.40 H new ATOM 3240 N PRO D 327 9.561 0.148 14.114 1.00 24.24 N ATOM 3241 CA PRO D 327 9.431 1.538 13.679 1.00 74.42 C ATOM 3242 C PRO D 327 10.432 2.491 14.307 1.00 43.32 C ATOM 3243 O PRO D 327 10.390 2.775 15.510 1.00 35.04 O ATOM 3244 CB PRO D 327 8.011 1.917 14.089 1.00 5.03 C ATOM 3245 CG PRO D 327 7.737 1.034 15.229 1.00 32.25 C ATOM 3246 CD PRO D 327 8.362 -0.274 14.863 1.00 45.00 C ATOM 0 HA PRO D 327 9.630 1.619 12.610 1.00 74.42 H new ATOM 0 HB2 PRO D 327 7.941 2.968 14.369 1.00 5.03 H new ATOM 0 HB3 PRO D 327 7.302 1.756 13.277 1.00 5.03 H new ATOM 0 HG2 PRO D 327 8.165 1.432 16.149 1.00 32.25 H new ATOM 0 HG3 PRO D 327 6.665 0.926 15.397 1.00 32.25 H new ATOM 0 HD2 PRO D 327 8.619 -0.862 15.744 1.00 45.00 H new ATOM 0 HD3 PRO D 327 7.697 -0.886 14.254 1.00 45.00 H new