USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 780 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 20 HIS : no HE2:sc= -12! C(o=-12!,f=-16!) USER MOD Set 1.2: A 83 TYR OH : rot 8:sc= -0.303 USER MOD Set 2.1: A 58 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Set 2.2: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 150:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 30:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 149:sc= -4.68! (180deg=-5.52!) USER MOD Single : A 37 GLN : amide:sc= -3.16 K(o=-3.2,f=-2.2) USER MOD Single : A 38 LYS NZ :NH3+ 155:sc= -0.236 (180deg=-1.43) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 118:sc= 1.25 USER MOD Single : A 54 GLN : amide:sc= -0.0518 X(o=-0.052,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.8!) USER MOD Single : A 60 ASN : amide:sc=-0.00147 K(o=-0.0015,f=-1.1) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -1.46 USER MOD Single : A 67 THR OG1 : rot 20:sc= 0.415 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.048 K(o=-0.048,f=-1.2) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.192 K(o=-0.19,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 99 N SER A 10 9.950 4.410 5.840 1.00 0.00 N ATOM 100 CA SER A 10 10.088 3.519 6.986 1.00 0.00 C ATOM 101 C SER A 10 9.241 4.007 8.158 1.00 0.00 C ATOM 102 O SER A 10 8.386 3.280 8.664 1.00 0.00 O ATOM 103 CB SER A 10 11.555 3.421 7.409 1.00 0.00 C ATOM 104 OG SER A 10 11.792 2.241 8.157 1.00 0.00 O ATOM 0 HA SER A 10 9.735 2.531 6.691 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.193 3.429 6.525 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.824 4.293 8.005 1.00 0.00 H new ATOM 0 HG SER A 10 12.737 2.201 8.414 1.00 0.00 H new ATOM 110 N GLN A 11 9.485 5.242 8.583 1.00 0.00 N ATOM 111 CA GLN A 11 8.746 5.827 9.695 1.00 0.00 C ATOM 112 C GLN A 11 7.257 5.520 9.581 1.00 0.00 C ATOM 113 O GLN A 11 6.590 5.250 10.580 1.00 0.00 O ATOM 114 CB GLN A 11 8.965 7.340 9.741 1.00 0.00 C ATOM 115 CG GLN A 11 10.313 7.743 10.316 1.00 0.00 C ATOM 116 CD GLN A 11 10.412 9.232 10.584 1.00 0.00 C ATOM 117 OE1 GLN A 11 10.417 10.043 9.658 1.00 0.00 O ATOM 118 NE2 GLN A 11 10.491 9.600 11.858 1.00 0.00 N ATOM 0 H GLN A 11 10.189 5.857 8.174 1.00 0.00 H new ATOM 0 HA GLN A 11 9.119 5.385 10.619 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.875 7.742 8.732 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.174 7.795 10.338 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.485 7.198 11.244 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.102 7.449 9.623 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.483 8.894 12.594 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.559 10.589 12.100 1.00 0.00 H new ATOM 127 N ARG A 12 6.741 5.563 8.356 1.00 0.00 N ATOM 128 CA ARG A 12 5.330 5.291 8.111 1.00 0.00 C ATOM 129 C ARG A 12 5.006 3.824 8.375 1.00 0.00 C ATOM 130 O ARG A 12 5.849 2.940 8.225 1.00 0.00 O ATOM 131 CB ARG A 12 4.961 5.656 6.672 1.00 0.00 C ATOM 132 CG ARG A 12 5.341 7.076 6.287 1.00 0.00 C ATOM 133 CD ARG A 12 4.286 8.076 6.735 1.00 0.00 C ATOM 134 NE ARG A 12 4.499 8.517 8.111 1.00 0.00 N ATOM 135 CZ ARG A 12 3.920 9.592 8.636 1.00 0.00 C ATOM 136 NH1 ARG A 12 3.098 10.331 7.904 1.00 0.00 N ATOM 137 NH2 ARG A 12 4.164 9.929 9.896 1.00 0.00 N ATOM 0 H ARG A 12 7.280 5.784 7.518 1.00 0.00 H new ATOM 0 HA ARG A 12 4.743 5.903 8.795 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.453 4.960 5.992 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.887 5.527 6.538 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.300 7.332 6.737 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.468 7.139 5.206 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.301 8.940 6.071 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.298 7.624 6.648 1.00 0.00 H new ATOM 0 HE ARG A 12 5.126 7.970 8.701 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.908 10.075 6.935 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.655 11.155 8.310 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.796 9.363 10.462 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.719 10.754 10.298 1.00 0.00 H new ATOM 151 N PRO A 13 3.754 3.557 8.777 1.00 0.00 N ATOM 152 CA PRO A 13 3.290 2.198 9.070 1.00 0.00 C ATOM 153 C PRO A 13 3.173 1.342 7.813 1.00 0.00 C ATOM 154 O PRO A 13 2.851 1.844 6.736 1.00 0.00 O ATOM 155 CB PRO A 13 1.910 2.421 9.695 1.00 0.00 C ATOM 156 CG PRO A 13 1.455 3.731 9.149 1.00 0.00 C ATOM 157 CD PRO A 13 2.696 4.562 8.977 1.00 0.00 C ATOM 0 HA PRO A 13 3.984 1.661 9.716 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.220 1.620 9.429 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.967 2.444 10.783 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.939 3.599 8.198 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.753 4.214 9.828 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.614 5.235 8.123 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.890 5.181 9.853 1.00 0.00 H new ATOM 165 N TYR A 14 3.435 0.048 7.958 1.00 0.00 N ATOM 166 CA TYR A 14 3.361 -0.878 6.833 1.00 0.00 C ATOM 167 C TYR A 14 2.042 -0.718 6.083 1.00 0.00 C ATOM 168 O TYR A 14 2.024 -0.340 4.911 1.00 0.00 O ATOM 169 CB TYR A 14 3.511 -2.319 7.322 1.00 0.00 C ATOM 170 CG TYR A 14 3.968 -3.278 6.245 1.00 0.00 C ATOM 171 CD1 TYR A 14 5.109 -3.020 5.496 1.00 0.00 C ATOM 172 CD2 TYR A 14 3.258 -4.442 5.977 1.00 0.00 C ATOM 173 CE1 TYR A 14 5.530 -3.893 4.512 1.00 0.00 C ATOM 174 CE2 TYR A 14 3.672 -5.321 4.996 1.00 0.00 C ATOM 175 CZ TYR A 14 4.809 -5.042 4.265 1.00 0.00 C ATOM 176 OH TYR A 14 5.224 -5.915 3.286 1.00 0.00 O ATOM 0 H TYR A 14 3.701 -0.384 8.843 1.00 0.00 H new ATOM 0 HA TYR A 14 4.178 -0.647 6.149 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.225 -2.342 8.145 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.555 -2.661 7.720 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.677 -2.121 5.686 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.367 -4.663 6.546 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.419 -3.677 3.939 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.109 -6.222 4.802 1.00 0.00 H new ATOM 0 HH TYR A 14 4.958 -6.827 3.527 1.00 0.00 H new ATOM 186 N ARG A 15 0.940 -1.008 6.767 1.00 0.00 N ATOM 187 CA ARG A 15 -0.383 -0.897 6.166 1.00 0.00 C ATOM 188 C ARG A 15 -0.434 0.258 5.170 1.00 0.00 C ATOM 189 O ARG A 15 -0.757 0.067 3.998 1.00 0.00 O ATOM 190 CB ARG A 15 -1.444 -0.697 7.250 1.00 0.00 C ATOM 191 CG ARG A 15 -2.683 0.035 6.762 1.00 0.00 C ATOM 192 CD ARG A 15 -3.832 -0.093 7.751 1.00 0.00 C ATOM 193 NE ARG A 15 -4.492 -1.393 7.658 1.00 0.00 N ATOM 194 CZ ARG A 15 -5.443 -1.795 8.493 1.00 0.00 C ATOM 195 NH1 ARG A 15 -5.844 -1.003 9.478 1.00 0.00 N ATOM 196 NH2 ARG A 15 -5.997 -2.992 8.343 1.00 0.00 N ATOM 0 H ARG A 15 0.938 -1.322 7.738 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.590 -1.824 5.631 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.738 -1.670 7.642 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.005 -0.139 8.077 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.448 1.088 6.610 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.987 -0.367 5.795 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.456 0.051 8.764 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.560 0.697 7.566 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.207 -2.026 6.911 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.422 -0.082 9.596 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.575 -1.315 10.118 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.692 -3.604 7.586 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.727 -3.300 8.985 1.00 0.00 H new ATOM 210 N ASP A 16 -0.113 1.456 5.646 1.00 0.00 N ATOM 211 CA ASP A 16 -0.122 2.643 4.798 1.00 0.00 C ATOM 212 C ASP A 16 0.669 2.400 3.517 1.00 0.00 C ATOM 213 O ASP A 16 0.154 2.583 2.414 1.00 0.00 O ATOM 214 CB ASP A 16 0.460 3.839 5.553 1.00 0.00 C ATOM 215 CG ASP A 16 -0.582 4.565 6.380 1.00 0.00 C ATOM 216 OD1 ASP A 16 -1.195 3.923 7.259 1.00 0.00 O ATOM 217 OD2 ASP A 16 -0.786 5.775 6.148 1.00 0.00 O ATOM 0 H ASP A 16 0.157 1.631 6.614 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.156 2.861 4.530 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.263 3.497 6.205 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.903 4.534 4.840 1.00 0.00 H new ATOM 222 N ARG A 17 1.924 1.989 3.670 1.00 0.00 N ATOM 223 CA ARG A 17 2.786 1.724 2.525 1.00 0.00 C ATOM 224 C ARG A 17 2.131 0.731 1.569 1.00 0.00 C ATOM 225 O ARG A 17 2.344 0.787 0.358 1.00 0.00 O ATOM 226 CB ARG A 17 4.138 1.181 2.993 1.00 0.00 C ATOM 227 CG ARG A 17 4.850 2.090 3.982 1.00 0.00 C ATOM 228 CD ARG A 17 5.975 1.360 4.699 1.00 0.00 C ATOM 229 NE ARG A 17 7.013 0.912 3.775 1.00 0.00 N ATOM 230 CZ ARG A 17 8.231 0.547 4.159 1.00 0.00 C ATOM 231 NH1 ARG A 17 8.562 0.576 5.443 1.00 0.00 N ATOM 232 NH2 ARG A 17 9.121 0.150 3.258 1.00 0.00 N ATOM 0 H ARG A 17 2.366 1.832 4.576 1.00 0.00 H new ATOM 0 HA ARG A 17 2.942 2.663 1.995 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.988 0.204 3.453 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.779 1.029 2.125 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.253 2.956 3.457 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.134 2.465 4.713 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.416 2.019 5.447 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.568 0.500 5.231 1.00 0.00 H new ATOM 0 HE ARG A 17 6.791 0.877 2.780 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.880 0.879 6.139 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.498 0.295 5.735 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.870 0.125 2.270 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.056 -0.130 3.554 1.00 0.00 H new ATOM 246 N VAL A 18 1.334 -0.177 2.122 1.00 0.00 N ATOM 247 CA VAL A 18 0.647 -1.182 1.319 1.00 0.00 C ATOM 248 C VAL A 18 -0.469 -0.555 0.492 1.00 0.00 C ATOM 249 O VAL A 18 -0.458 -0.625 -0.738 1.00 0.00 O ATOM 250 CB VAL A 18 0.054 -2.296 2.202 1.00 0.00 C ATOM 251 CG1 VAL A 18 -0.681 -3.319 1.349 1.00 0.00 C ATOM 252 CG2 VAL A 18 1.146 -2.962 3.025 1.00 0.00 C ATOM 0 H VAL A 18 1.148 -0.238 3.123 1.00 0.00 H new ATOM 0 HA VAL A 18 1.390 -1.616 0.650 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.664 -1.848 2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.093 -4.098 1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.490 -2.828 0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.013 -3.765 0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.709 -3.746 3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.890 -3.398 2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.623 -2.220 3.665 1.00 0.00 H new ATOM 262 N ILE A 19 -1.431 0.058 1.174 1.00 0.00 N ATOM 263 CA ILE A 19 -2.554 0.699 0.501 1.00 0.00 C ATOM 264 C ILE A 19 -2.073 1.771 -0.471 1.00 0.00 C ATOM 265 O ILE A 19 -2.599 1.902 -1.577 1.00 0.00 O ATOM 266 CB ILE A 19 -3.526 1.337 1.512 1.00 0.00 C ATOM 267 CG1 ILE A 19 -2.834 2.470 2.272 1.00 0.00 C ATOM 268 CG2 ILE A 19 -4.050 0.285 2.479 1.00 0.00 C ATOM 269 CD1 ILE A 19 -3.735 3.169 3.266 1.00 0.00 C ATOM 0 H ILE A 19 -1.455 0.124 2.192 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.078 -0.081 -0.052 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.372 1.755 0.967 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.968 2.068 2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.460 3.202 1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.735 0.751 3.187 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.575 -0.491 1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.215 -0.159 3.021 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.178 3.960 3.768 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.588 3.601 2.743 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.089 2.450 4.005 1.00 0.00 H new ATOM 281 N HIS A 20 -1.070 2.536 -0.052 1.00 0.00 N ATOM 282 CA HIS A 20 -0.516 3.595 -0.887 1.00 0.00 C ATOM 283 C HIS A 20 -0.029 3.038 -2.220 1.00 0.00 C ATOM 284 O HIS A 20 0.054 3.760 -3.215 1.00 0.00 O ATOM 285 CB HIS A 20 0.634 4.296 -0.162 1.00 0.00 C ATOM 286 CG HIS A 20 0.187 5.407 0.737 1.00 0.00 C ATOM 287 ND1 HIS A 20 0.257 5.336 2.112 1.00 0.00 N ATOM 288 CD2 HIS A 20 -0.336 6.622 0.450 1.00 0.00 C ATOM 289 CE1 HIS A 20 -0.206 6.459 2.633 1.00 0.00 C ATOM 290 NE2 HIS A 20 -0.571 7.256 1.645 1.00 0.00 N ATOM 0 H HIS A 20 -0.625 2.442 0.861 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.306 4.319 -1.084 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.183 3.561 0.427 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.329 4.695 -0.901 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.611 4.541 2.644 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.532 7.019 -0.535 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.274 6.686 3.687 1.00 0.00 H new ATOM 298 N LEU A 21 0.294 1.749 -2.235 1.00 0.00 N ATOM 299 CA LEU A 21 0.774 1.094 -3.446 1.00 0.00 C ATOM 300 C LEU A 21 -0.386 0.511 -4.247 1.00 0.00 C ATOM 301 O LEU A 21 -0.459 0.676 -5.465 1.00 0.00 O ATOM 302 CB LEU A 21 1.770 -0.012 -3.091 1.00 0.00 C ATOM 303 CG LEU A 21 3.158 0.452 -2.647 1.00 0.00 C ATOM 304 CD1 LEU A 21 4.005 -0.735 -2.217 1.00 0.00 C ATOM 305 CD2 LEU A 21 3.845 1.223 -3.765 1.00 0.00 C ATOM 0 H LEU A 21 0.232 1.137 -1.421 1.00 0.00 H new ATOM 0 HA LEU A 21 1.275 1.843 -4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.340 -0.619 -2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.886 -0.661 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 21 3.042 1.118 -1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.989 -0.386 -1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.520 -1.246 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.114 -1.426 -3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.831 1.546 -3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.950 0.580 -4.639 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.247 2.096 -4.026 1.00 0.00 H new ATOM 317 N LEU A 22 -1.292 -0.170 -3.554 1.00 0.00 N ATOM 318 CA LEU A 22 -2.452 -0.776 -4.200 1.00 0.00 C ATOM 319 C LEU A 22 -3.344 0.290 -4.829 1.00 0.00 C ATOM 320 O LEU A 22 -3.952 0.066 -5.875 1.00 0.00 O ATOM 321 CB LEU A 22 -3.253 -1.596 -3.188 1.00 0.00 C ATOM 322 CG LEU A 22 -2.600 -2.892 -2.706 1.00 0.00 C ATOM 323 CD1 LEU A 22 -3.278 -3.394 -1.441 1.00 0.00 C ATOM 324 CD2 LEU A 22 -2.649 -3.952 -3.797 1.00 0.00 C ATOM 0 H LEU A 22 -1.246 -0.317 -2.546 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.094 -1.436 -4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.453 -0.969 -2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.217 -1.842 -3.632 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.555 -2.685 -2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.799 -4.317 -1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.189 -2.641 -0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.332 -3.584 -1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.180 -4.867 -3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.687 -4.156 -4.060 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.115 -3.593 -4.677 1.00 0.00 H new ATOM 336 N ALA A 23 -3.415 1.450 -4.184 1.00 0.00 N ATOM 337 CA ALA A 23 -4.229 2.552 -4.682 1.00 0.00 C ATOM 338 C ALA A 23 -4.000 2.773 -6.174 1.00 0.00 C ATOM 339 O ALA A 23 -4.918 2.620 -6.982 1.00 0.00 O ATOM 340 CB ALA A 23 -3.926 3.825 -3.906 1.00 0.00 C ATOM 0 H ALA A 23 -2.919 1.651 -3.316 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.277 2.291 -4.536 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.541 4.639 -4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.147 3.669 -2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.873 4.080 -4.022 1.00 0.00 H new ATOM 346 N LEU A 24 -2.773 3.133 -6.533 1.00 0.00 N ATOM 347 CA LEU A 24 -2.424 3.375 -7.928 1.00 0.00 C ATOM 348 C LEU A 24 -2.984 2.278 -8.828 1.00 0.00 C ATOM 349 O LEU A 24 -3.626 2.558 -9.841 1.00 0.00 O ATOM 350 CB LEU A 24 -0.905 3.456 -8.088 1.00 0.00 C ATOM 351 CG LEU A 24 -0.223 4.652 -7.424 1.00 0.00 C ATOM 352 CD1 LEU A 24 1.240 4.727 -7.834 1.00 0.00 C ATOM 353 CD2 LEU A 24 -0.945 5.943 -7.779 1.00 0.00 C ATOM 0 H LEU A 24 -2.003 3.264 -5.877 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.866 4.325 -8.227 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.468 2.543 -7.683 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.672 3.476 -9.153 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.270 4.519 -6.343 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.709 5.584 -7.352 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.751 3.814 -7.528 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.309 4.836 -8.916 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.445 6.784 -7.297 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.930 6.083 -8.860 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.978 5.889 -7.434 1.00 0.00 H new ATOM 365 N LYS A 25 -2.739 1.028 -8.451 1.00 0.00 N ATOM 366 CA LYS A 25 -3.221 -0.112 -9.221 1.00 0.00 C ATOM 367 C LYS A 25 -3.187 -1.387 -8.384 1.00 0.00 C ATOM 368 O LYS A 25 -2.661 -1.397 -7.272 1.00 0.00 O ATOM 369 CB LYS A 25 -2.376 -0.296 -10.484 1.00 0.00 C ATOM 370 CG LYS A 25 -1.033 -0.958 -10.226 1.00 0.00 C ATOM 371 CD LYS A 25 -0.378 -1.412 -11.519 1.00 0.00 C ATOM 372 CE LYS A 25 0.708 -2.445 -11.261 1.00 0.00 C ATOM 373 NZ LYS A 25 1.692 -2.506 -12.377 1.00 0.00 N ATOM 0 H LYS A 25 -2.209 0.779 -7.616 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.254 0.086 -9.508 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.936 -0.896 -11.201 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.209 0.678 -10.945 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.375 -0.259 -9.710 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.169 -1.815 -9.566 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.133 -1.834 -12.182 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.051 -0.552 -12.032 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.226 -2.203 -10.333 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.252 -3.426 -11.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.416 -3.222 -12.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.202 -2.762 -13.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.146 -1.577 -12.490 1.00 0.00 H new ATOM 387 N ALA A 26 -3.750 -2.462 -8.928 1.00 0.00 N ATOM 388 CA ALA A 26 -3.781 -3.742 -8.232 1.00 0.00 C ATOM 389 C ALA A 26 -2.390 -4.363 -8.163 1.00 0.00 C ATOM 390 O ALA A 26 -1.665 -4.398 -9.158 1.00 0.00 O ATOM 391 CB ALA A 26 -4.751 -4.692 -8.919 1.00 0.00 C ATOM 0 H ALA A 26 -4.190 -2.471 -9.848 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.123 -3.565 -7.212 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.764 -5.644 -8.389 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.751 -4.259 -8.912 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.433 -4.854 -9.949 1.00 0.00 H new ATOM 397 N TYR A 27 -2.022 -4.850 -6.984 1.00 0.00 N ATOM 398 CA TYR A 27 -0.716 -5.467 -6.785 1.00 0.00 C ATOM 399 C TYR A 27 -0.858 -6.860 -6.179 1.00 0.00 C ATOM 400 O TYR A 27 -1.689 -7.086 -5.300 1.00 0.00 O ATOM 401 CB TYR A 27 0.152 -4.591 -5.880 1.00 0.00 C ATOM 402 CG TYR A 27 0.969 -3.566 -6.632 1.00 0.00 C ATOM 403 CD1 TYR A 27 0.402 -2.370 -7.054 1.00 0.00 C ATOM 404 CD2 TYR A 27 2.310 -3.793 -6.921 1.00 0.00 C ATOM 405 CE1 TYR A 27 1.145 -1.431 -7.743 1.00 0.00 C ATOM 406 CE2 TYR A 27 3.061 -2.859 -7.608 1.00 0.00 C ATOM 407 CZ TYR A 27 2.474 -1.680 -8.017 1.00 0.00 C ATOM 408 OH TYR A 27 3.218 -0.746 -8.702 1.00 0.00 O ATOM 0 H TYR A 27 -2.610 -4.830 -6.151 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.235 -5.562 -7.758 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.489 -4.078 -5.163 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.824 -5.230 -5.307 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.638 -2.171 -6.840 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.773 -4.716 -6.603 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.688 -0.507 -8.065 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.102 -3.051 -7.824 1.00 0.00 H new ATOM 0 HH TYR A 27 2.873 0.151 -8.511 1.00 0.00 H new ATOM 418 N LYS A 28 -0.039 -7.791 -6.656 1.00 0.00 N ATOM 419 CA LYS A 28 -0.069 -9.163 -6.162 1.00 0.00 C ATOM 420 C LYS A 28 0.766 -9.303 -4.893 1.00 0.00 C ATOM 421 O LYS A 28 1.730 -8.565 -4.687 1.00 0.00 O ATOM 422 CB LYS A 28 0.449 -10.124 -7.234 1.00 0.00 C ATOM 423 CG LYS A 28 -0.374 -10.111 -8.511 1.00 0.00 C ATOM 424 CD LYS A 28 0.477 -10.439 -9.726 1.00 0.00 C ATOM 425 CE LYS A 28 -0.110 -9.842 -10.996 1.00 0.00 C ATOM 426 NZ LYS A 28 0.264 -10.629 -12.203 1.00 0.00 N ATOM 0 H LYS A 28 0.654 -7.621 -7.385 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.103 -9.415 -5.925 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.480 -9.866 -7.474 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.460 -11.136 -6.829 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.186 -10.833 -8.429 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.832 -9.130 -8.640 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.487 -10.058 -9.577 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.557 -11.521 -9.834 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.196 -9.802 -10.910 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.238 -8.815 -11.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.155 -10.190 -13.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.299 -10.646 -12.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.090 -11.602 -12.107 1.00 0.00 H new ATOM 440 N LYS A 29 0.391 -10.255 -4.045 1.00 0.00 N ATOM 441 CA LYS A 29 1.106 -10.494 -2.798 1.00 0.00 C ATOM 442 C LYS A 29 2.606 -10.289 -2.982 1.00 0.00 C ATOM 443 O LYS A 29 3.241 -9.502 -2.279 1.00 0.00 O ATOM 444 CB LYS A 29 0.833 -11.913 -2.293 1.00 0.00 C ATOM 445 CG LYS A 29 1.881 -12.425 -1.320 1.00 0.00 C ATOM 446 CD LYS A 29 1.505 -12.112 0.119 1.00 0.00 C ATOM 447 CE LYS A 29 1.981 -10.727 0.530 1.00 0.00 C ATOM 448 NZ LYS A 29 3.348 -10.764 1.120 1.00 0.00 N ATOM 0 H LYS A 29 -0.405 -10.874 -4.199 1.00 0.00 H new ATOM 0 HA LYS A 29 0.747 -9.777 -2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.143 -11.935 -1.808 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.780 -12.589 -3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.996 -13.502 -1.441 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.846 -11.973 -1.552 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.423 -12.176 0.236 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.942 -12.860 0.781 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.978 -10.069 -0.339 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.284 -10.303 1.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.841 -9.873 0.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.278 -10.887 2.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.881 -11.559 0.712 1.00 0.00 H new ATOM 462 N PRO A 30 3.188 -11.012 -3.951 1.00 0.00 N ATOM 463 CA PRO A 30 4.621 -10.924 -4.251 1.00 0.00 C ATOM 464 C PRO A 30 4.999 -9.589 -4.884 1.00 0.00 C ATOM 465 O PRO A 30 5.942 -8.931 -4.446 1.00 0.00 O ATOM 466 CB PRO A 30 4.846 -12.069 -5.243 1.00 0.00 C ATOM 467 CG PRO A 30 3.517 -12.281 -5.883 1.00 0.00 C ATOM 468 CD PRO A 30 2.493 -11.969 -4.827 1.00 0.00 C ATOM 0 HA PRO A 30 5.232 -10.995 -3.351 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.604 -11.810 -5.982 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.190 -12.971 -4.736 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.394 -11.632 -6.750 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.413 -13.307 -6.236 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.590 -11.537 -5.258 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.190 -12.864 -4.284 1.00 0.00 H new ATOM 476 N GLU A 31 4.258 -9.197 -5.915 1.00 0.00 N ATOM 477 CA GLU A 31 4.518 -7.940 -6.607 1.00 0.00 C ATOM 478 C GLU A 31 4.554 -6.774 -5.623 1.00 0.00 C ATOM 479 O GLU A 31 5.586 -6.125 -5.448 1.00 0.00 O ATOM 480 CB GLU A 31 3.450 -7.689 -7.674 1.00 0.00 C ATOM 481 CG GLU A 31 3.737 -6.481 -8.550 1.00 0.00 C ATOM 482 CD GLU A 31 2.556 -6.098 -9.421 1.00 0.00 C ATOM 483 OE1 GLU A 31 2.258 -6.842 -10.379 1.00 0.00 O ATOM 484 OE2 GLU A 31 1.929 -5.054 -9.143 1.00 0.00 O ATOM 0 H GLU A 31 3.474 -9.731 -6.289 1.00 0.00 H new ATOM 0 HA GLU A 31 5.492 -8.015 -7.089 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.365 -8.573 -8.306 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.485 -7.552 -7.185 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.007 -5.635 -7.918 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.598 -6.693 -9.184 1.00 0.00 H new ATOM 491 N LEU A 32 3.419 -6.513 -4.984 1.00 0.00 N ATOM 492 CA LEU A 32 3.319 -5.425 -4.017 1.00 0.00 C ATOM 493 C LEU A 32 4.604 -5.296 -3.206 1.00 0.00 C ATOM 494 O LEU A 32 5.140 -4.199 -3.041 1.00 0.00 O ATOM 495 CB LEU A 32 2.132 -5.657 -3.080 1.00 0.00 C ATOM 496 CG LEU A 32 1.455 -4.401 -2.531 1.00 0.00 C ATOM 497 CD1 LEU A 32 0.390 -4.771 -1.510 1.00 0.00 C ATOM 498 CD2 LEU A 32 2.485 -3.466 -1.914 1.00 0.00 C ATOM 0 H LEU A 32 2.556 -7.039 -5.118 1.00 0.00 H new ATOM 0 HA LEU A 32 3.164 -4.497 -4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.384 -6.245 -3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.472 -6.260 -2.238 1.00 0.00 H new ATOM 0 HG LEU A 32 0.971 -3.882 -3.358 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.081 -3.864 -1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.364 -5.401 -1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.850 -5.314 -0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.985 -2.577 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.998 -3.976 -1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.211 -3.173 -2.672 1.00 0.00 H new ATOM 510 N LEU A 33 5.096 -6.424 -2.705 1.00 0.00 N ATOM 511 CA LEU A 33 6.322 -6.438 -1.913 1.00 0.00 C ATOM 512 C LEU A 33 7.474 -5.800 -2.681 1.00 0.00 C ATOM 513 O LEU A 33 8.079 -4.832 -2.221 1.00 0.00 O ATOM 514 CB LEU A 33 6.684 -7.873 -1.525 1.00 0.00 C ATOM 515 CG LEU A 33 6.012 -8.418 -0.264 1.00 0.00 C ATOM 516 CD1 LEU A 33 6.031 -9.938 -0.264 1.00 0.00 C ATOM 517 CD2 LEU A 33 6.696 -7.874 0.982 1.00 0.00 C ATOM 0 H LEU A 33 4.666 -7.340 -2.833 1.00 0.00 H new ATOM 0 HA LEU A 33 6.148 -5.856 -1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.432 -8.528 -2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.764 -7.930 -1.390 1.00 0.00 H new ATOM 0 HG LEU A 33 4.973 -8.088 -0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.549 -10.308 0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.496 -10.309 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.062 -10.289 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.205 -8.272 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.744 -8.174 0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.630 -6.786 0.988 1.00 0.00 H new ATOM 529 N ALA A 34 7.771 -6.348 -3.855 1.00 0.00 N ATOM 530 CA ALA A 34 8.848 -5.829 -4.690 1.00 0.00 C ATOM 531 C ALA A 34 8.970 -4.316 -4.551 1.00 0.00 C ATOM 532 O ALA A 34 10.074 -3.776 -4.478 1.00 0.00 O ATOM 533 CB ALA A 34 8.619 -6.212 -6.144 1.00 0.00 C ATOM 0 H ALA A 34 7.281 -7.151 -4.249 1.00 0.00 H new ATOM 0 HA ALA A 34 9.784 -6.274 -4.352 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.430 -5.818 -6.756 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.591 -7.298 -6.234 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.672 -5.795 -6.485 1.00 0.00 H new ATOM 539 N ARG A 35 7.828 -3.636 -4.517 1.00 0.00 N ATOM 540 CA ARG A 35 7.808 -2.184 -4.390 1.00 0.00 C ATOM 541 C ARG A 35 8.287 -1.752 -3.007 1.00 0.00 C ATOM 542 O ARG A 35 9.102 -0.837 -2.878 1.00 0.00 O ATOM 543 CB ARG A 35 6.397 -1.648 -4.642 1.00 0.00 C ATOM 544 CG ARG A 35 6.092 -1.402 -6.111 1.00 0.00 C ATOM 545 CD ARG A 35 6.844 -0.191 -6.640 1.00 0.00 C ATOM 546 NE ARG A 35 6.487 0.113 -8.023 1.00 0.00 N ATOM 547 CZ ARG A 35 6.882 1.211 -8.660 1.00 0.00 C ATOM 548 NH1 ARG A 35 7.642 2.103 -8.041 1.00 0.00 N ATOM 549 NH2 ARG A 35 6.516 1.417 -9.918 1.00 0.00 N ATOM 0 H ARG A 35 6.906 -4.067 -4.576 1.00 0.00 H new ATOM 0 HA ARG A 35 8.486 -1.770 -5.136 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.672 -2.357 -4.243 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.268 -0.716 -4.092 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.363 -2.283 -6.693 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.020 -1.252 -6.241 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.628 0.673 -6.011 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.917 -0.373 -6.574 1.00 0.00 H new ATOM 0 HE ARG A 35 5.903 -0.553 -8.528 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.925 1.948 -7.073 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.944 2.945 -8.532 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.931 0.733 -10.398 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.819 2.260 -10.406 1.00 0.00 H new ATOM 563 N LEU A 36 7.776 -2.416 -1.976 1.00 0.00 N ATOM 564 CA LEU A 36 8.152 -2.102 -0.602 1.00 0.00 C ATOM 565 C LEU A 36 9.558 -2.604 -0.293 1.00 0.00 C ATOM 566 O LEU A 36 10.440 -1.826 0.068 1.00 0.00 O ATOM 567 CB LEU A 36 7.151 -2.720 0.376 1.00 0.00 C ATOM 568 CG LEU A 36 5.704 -2.243 0.246 1.00 0.00 C ATOM 569 CD1 LEU A 36 4.741 -3.335 0.686 1.00 0.00 C ATOM 570 CD2 LEU A 36 5.485 -0.976 1.060 1.00 0.00 C ATOM 0 H LEU A 36 7.100 -3.175 -2.065 1.00 0.00 H new ATOM 0 HA LEU A 36 8.140 -1.018 -0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.169 -3.802 0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.491 -2.514 1.391 1.00 0.00 H new ATOM 0 HG LEU A 36 5.509 -2.016 -0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.716 -2.978 0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.880 -4.217 0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.936 -3.594 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.450 -0.651 0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.698 -1.177 2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.150 -0.192 0.698 1.00 0.00 H new ATOM 582 N GLN A 37 9.760 -3.910 -0.440 1.00 0.00 N ATOM 583 CA GLN A 37 11.060 -4.516 -0.177 1.00 0.00 C ATOM 584 C GLN A 37 12.189 -3.618 -0.675 1.00 0.00 C ATOM 585 O GLN A 37 13.262 -3.561 -0.073 1.00 0.00 O ATOM 586 CB GLN A 37 11.152 -5.888 -0.847 1.00 0.00 C ATOM 587 CG GLN A 37 10.382 -6.975 -0.114 1.00 0.00 C ATOM 588 CD GLN A 37 11.246 -7.741 0.868 1.00 0.00 C ATOM 589 OE1 GLN A 37 11.054 -8.940 1.077 1.00 0.00 O ATOM 590 NE2 GLN A 37 12.205 -7.053 1.476 1.00 0.00 N ATOM 0 H GLN A 37 9.040 -4.568 -0.740 1.00 0.00 H new ATOM 0 HA GLN A 37 11.164 -4.638 0.901 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.775 -5.811 -1.867 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.200 -6.180 -0.916 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.544 -6.525 0.419 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.961 -7.670 -0.841 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.328 -6.061 1.273 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.818 -7.516 2.146 1.00 0.00 H new ATOM 599 N LYS A 38 11.941 -2.919 -1.777 1.00 0.00 N ATOM 600 CA LYS A 38 12.935 -2.023 -2.355 1.00 0.00 C ATOM 601 C LYS A 38 13.514 -1.094 -1.293 1.00 0.00 C ATOM 602 O LYS A 38 14.732 -0.974 -1.157 1.00 0.00 O ATOM 603 CB LYS A 38 12.313 -1.199 -3.485 1.00 0.00 C ATOM 604 CG LYS A 38 12.316 -1.908 -4.828 1.00 0.00 C ATOM 605 CD LYS A 38 11.272 -1.327 -5.767 1.00 0.00 C ATOM 606 CE LYS A 38 10.952 -2.284 -6.906 1.00 0.00 C ATOM 607 NZ LYS A 38 9.718 -1.884 -7.636 1.00 0.00 N ATOM 0 H LYS A 38 11.059 -2.956 -2.288 1.00 0.00 H new ATOM 0 HA LYS A 38 13.744 -2.631 -2.760 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.286 -0.949 -3.218 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.856 -0.259 -3.579 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.303 -1.824 -5.283 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.123 -2.970 -4.680 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.362 -1.106 -5.209 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.633 -0.383 -6.174 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.791 -2.315 -7.601 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.829 -3.292 -6.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.752 -2.258 -8.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.885 -2.268 -7.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.654 -0.846 -7.667 1.00 0.00 H new ATOM 621 N ASP A 39 12.634 -0.441 -0.543 1.00 0.00 N ATOM 622 CA ASP A 39 13.059 0.476 0.510 1.00 0.00 C ATOM 623 C ASP A 39 13.410 -0.285 1.784 1.00 0.00 C ATOM 624 O ASP A 39 14.244 0.156 2.573 1.00 0.00 O ATOM 625 CB ASP A 39 11.959 1.499 0.799 1.00 0.00 C ATOM 626 CG ASP A 39 12.055 2.720 -0.095 1.00 0.00 C ATOM 627 OD1 ASP A 39 13.081 3.427 -0.023 1.00 0.00 O ATOM 628 OD2 ASP A 39 11.103 2.968 -0.864 1.00 0.00 O ATOM 0 H ASP A 39 11.623 -0.529 -0.644 1.00 0.00 H new ATOM 0 HA ASP A 39 13.950 1.000 0.164 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.985 1.029 0.664 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.021 1.810 1.842 1.00 0.00 H new ATOM 633 N GLY A 40 12.767 -1.433 1.979 1.00 0.00 N ATOM 634 CA GLY A 40 13.025 -2.237 3.159 1.00 0.00 C ATOM 635 C GLY A 40 11.755 -2.800 3.765 1.00 0.00 C ATOM 636 O GLY A 40 10.869 -2.051 4.177 1.00 0.00 O ATOM 0 H GLY A 40 12.072 -1.820 1.340 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.694 -3.057 2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.541 -1.630 3.903 1.00 0.00 H new ATOM 640 N VAL A 41 11.664 -4.125 3.819 1.00 0.00 N ATOM 641 CA VAL A 41 10.492 -4.789 4.378 1.00 0.00 C ATOM 642 C VAL A 41 10.888 -5.767 5.479 1.00 0.00 C ATOM 643 O VAL A 41 11.729 -6.641 5.274 1.00 0.00 O ATOM 644 CB VAL A 41 9.705 -5.547 3.293 1.00 0.00 C ATOM 645 CG1 VAL A 41 8.768 -6.565 3.925 1.00 0.00 C ATOM 646 CG2 VAL A 41 8.933 -4.572 2.417 1.00 0.00 C ATOM 0 H VAL A 41 12.388 -4.760 3.482 1.00 0.00 H new ATOM 0 HA VAL A 41 9.857 -4.009 4.799 1.00 0.00 H new ATOM 0 HB VAL A 41 10.414 -6.084 2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.221 -7.091 3.143 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.348 -7.282 4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.063 -6.053 4.580 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.382 -5.124 1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.233 -4.006 3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.629 -3.886 1.935 1.00 0.00 H new ATOM 656 N ASN A 42 10.275 -5.612 6.648 1.00 0.00 N ATOM 657 CA ASN A 42 10.564 -6.482 7.783 1.00 0.00 C ATOM 658 C ASN A 42 10.022 -7.888 7.543 1.00 0.00 C ATOM 659 O ASN A 42 9.051 -8.072 6.810 1.00 0.00 O ATOM 660 CB ASN A 42 9.959 -5.902 9.063 1.00 0.00 C ATOM 661 CG ASN A 42 10.912 -4.968 9.782 1.00 0.00 C ATOM 662 OD1 ASN A 42 11.934 -5.397 10.319 1.00 0.00 O ATOM 663 ND2 ASN A 42 10.582 -3.681 9.795 1.00 0.00 N ATOM 0 H ASN A 42 9.576 -4.893 6.834 1.00 0.00 H new ATOM 0 HA ASN A 42 11.646 -6.544 7.896 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.044 -5.364 8.817 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.680 -6.717 9.731 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.185 -3.005 10.263 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.725 -3.369 9.337 1.00 0.00 H new ATOM 670 N GLN A 43 10.657 -8.875 8.165 1.00 0.00 N ATOM 671 CA GLN A 43 10.239 -10.264 8.019 1.00 0.00 C ATOM 672 C GLN A 43 8.883 -10.497 8.678 1.00 0.00 C ATOM 673 O GLN A 43 7.986 -11.094 8.082 1.00 0.00 O ATOM 674 CB GLN A 43 11.283 -11.201 8.629 1.00 0.00 C ATOM 675 CG GLN A 43 11.326 -12.573 7.976 1.00 0.00 C ATOM 676 CD GLN A 43 12.582 -13.346 8.324 1.00 0.00 C ATOM 677 OE1 GLN A 43 13.696 -12.840 8.184 1.00 0.00 O ATOM 678 NE2 GLN A 43 12.410 -14.581 8.782 1.00 0.00 N ATOM 0 H GLN A 43 11.463 -8.739 8.775 1.00 0.00 H new ATOM 0 HA GLN A 43 10.147 -10.478 6.954 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.266 -10.738 8.547 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.075 -11.320 9.692 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.453 -13.147 8.287 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.263 -12.458 6.894 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.469 -14.961 8.882 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.219 -15.149 9.033 1.00 0.00 H new ATOM 687 N LYS A 44 8.741 -10.023 9.911 1.00 0.00 N ATOM 688 CA LYS A 44 7.495 -10.178 10.652 1.00 0.00 C ATOM 689 C LYS A 44 6.336 -9.519 9.911 1.00 0.00 C ATOM 690 O LYS A 44 5.176 -9.885 10.102 1.00 0.00 O ATOM 691 CB LYS A 44 7.631 -9.572 12.050 1.00 0.00 C ATOM 692 CG LYS A 44 7.971 -8.092 12.042 1.00 0.00 C ATOM 693 CD LYS A 44 8.393 -7.609 13.419 1.00 0.00 C ATOM 694 CE LYS A 44 7.189 -7.266 14.283 1.00 0.00 C ATOM 695 NZ LYS A 44 7.595 -6.777 15.630 1.00 0.00 N ATOM 0 H LYS A 44 9.474 -9.528 10.419 1.00 0.00 H new ATOM 0 HA LYS A 44 7.286 -11.244 10.743 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.697 -9.718 12.593 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.405 -10.111 12.596 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.774 -7.906 11.329 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.106 -7.521 11.704 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.987 -8.380 13.910 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.031 -6.731 13.318 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.590 -6.504 13.785 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.557 -8.147 14.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.747 -6.554 16.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.145 -7.514 16.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.177 -5.921 15.528 1.00 0.00 H new ATOM 709 N ASP A 45 6.657 -8.547 9.064 1.00 0.00 N ATOM 710 CA ASP A 45 5.643 -7.838 8.293 1.00 0.00 C ATOM 711 C ASP A 45 5.377 -8.545 6.967 1.00 0.00 C ATOM 712 O ASP A 45 4.263 -8.510 6.445 1.00 0.00 O ATOM 713 CB ASP A 45 6.081 -6.396 8.037 1.00 0.00 C ATOM 714 CG ASP A 45 5.978 -5.531 9.278 1.00 0.00 C ATOM 715 OD1 ASP A 45 6.533 -5.925 10.325 1.00 0.00 O ATOM 716 OD2 ASP A 45 5.342 -4.458 9.202 1.00 0.00 O ATOM 0 H ASP A 45 7.612 -8.232 8.894 1.00 0.00 H new ATOM 0 HA ASP A 45 4.720 -7.831 8.873 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.110 -6.390 7.678 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.465 -5.967 7.246 1.00 0.00 H new ATOM 721 N LYS A 46 6.408 -9.185 6.426 1.00 0.00 N ATOM 722 CA LYS A 46 6.287 -9.900 5.161 1.00 0.00 C ATOM 723 C LYS A 46 5.042 -10.781 5.151 1.00 0.00 C ATOM 724 O LYS A 46 4.186 -10.651 4.277 1.00 0.00 O ATOM 725 CB LYS A 46 7.532 -10.756 4.915 1.00 0.00 C ATOM 726 CG LYS A 46 8.695 -9.980 4.320 1.00 0.00 C ATOM 727 CD LYS A 46 9.626 -10.887 3.533 1.00 0.00 C ATOM 728 CE LYS A 46 10.613 -11.599 4.444 1.00 0.00 C ATOM 729 NZ LYS A 46 11.533 -12.487 3.681 1.00 0.00 N ATOM 0 H LYS A 46 7.338 -9.223 6.844 1.00 0.00 H new ATOM 0 HA LYS A 46 6.196 -9.163 4.363 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.848 -11.202 5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.273 -11.576 4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.314 -9.194 3.668 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.252 -9.489 5.118 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.039 -11.624 2.984 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.170 -10.298 2.795 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.195 -10.861 4.995 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.067 -12.189 5.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.190 -12.954 4.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.980 -13.208 3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.073 -11.921 2.996 1.00 0.00 H new ATOM 743 N ASN A 47 4.948 -11.676 6.129 1.00 0.00 N ATOM 744 CA ASN A 47 3.806 -12.578 6.233 1.00 0.00 C ATOM 745 C ASN A 47 2.536 -11.809 6.585 1.00 0.00 C ATOM 746 O ASN A 47 1.462 -12.086 6.050 1.00 0.00 O ATOM 747 CB ASN A 47 4.073 -13.653 7.287 1.00 0.00 C ATOM 748 CG ASN A 47 3.255 -14.908 7.053 1.00 0.00 C ATOM 749 OD1 ASN A 47 2.089 -14.984 7.442 1.00 0.00 O ATOM 750 ND2 ASN A 47 3.864 -15.901 6.415 1.00 0.00 N ATOM 0 H ASN A 47 5.648 -11.796 6.861 1.00 0.00 H new ATOM 0 HA ASN A 47 3.663 -13.056 5.264 1.00 0.00 H new ATOM 0 HB2 ASN A 47 5.133 -13.907 7.282 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.846 -13.253 8.275 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.364 -16.770 6.229 1.00 0.00 H new ATOM 0 HD22 ASN A 47 4.832 -15.794 6.111 1.00 0.00 H new ATOM 757 N SER A 48 2.667 -10.842 7.487 1.00 0.00 N ATOM 758 CA SER A 48 1.530 -10.035 7.913 1.00 0.00 C ATOM 759 C SER A 48 0.903 -9.310 6.726 1.00 0.00 C ATOM 760 O SER A 48 -0.286 -8.988 6.737 1.00 0.00 O ATOM 761 CB SER A 48 1.965 -9.021 8.973 1.00 0.00 C ATOM 762 OG SER A 48 2.659 -9.657 10.032 1.00 0.00 O ATOM 0 H SER A 48 3.549 -10.598 7.937 1.00 0.00 H new ATOM 0 HA SER A 48 0.784 -10.702 8.344 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.604 -8.265 8.517 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.090 -8.503 9.366 1.00 0.00 H new ATOM 0 HG SER A 48 3.573 -9.308 10.080 1.00 0.00 H new ATOM 768 N LEU A 49 1.711 -9.055 5.703 1.00 0.00 N ATOM 769 CA LEU A 49 1.238 -8.367 4.507 1.00 0.00 C ATOM 770 C LEU A 49 -0.026 -9.026 3.964 1.00 0.00 C ATOM 771 O LEU A 49 -1.071 -8.387 3.849 1.00 0.00 O ATOM 772 CB LEU A 49 2.326 -8.364 3.432 1.00 0.00 C ATOM 773 CG LEU A 49 2.179 -7.314 2.331 1.00 0.00 C ATOM 774 CD1 LEU A 49 3.070 -7.654 1.146 1.00 0.00 C ATOM 775 CD2 LEU A 49 0.727 -7.199 1.893 1.00 0.00 C ATOM 0 H LEU A 49 2.697 -9.314 5.678 1.00 0.00 H new ATOM 0 HA LEU A 49 1.002 -7.338 4.779 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.290 -8.218 3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.351 -9.349 2.966 1.00 0.00 H new ATOM 0 HG LEU A 49 2.494 -6.350 2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.952 -6.895 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.110 -7.683 1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.787 -8.628 0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.642 -6.447 1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.385 -8.161 1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.112 -6.907 2.744 1.00 0.00 H new ATOM 787 N GLY A 50 0.076 -10.310 3.634 1.00 0.00 N ATOM 788 CA GLY A 50 -1.066 -11.035 3.110 1.00 0.00 C ATOM 789 C GLY A 50 -2.350 -10.703 3.844 1.00 0.00 C ATOM 790 O GLY A 50 -3.426 -10.682 3.248 1.00 0.00 O ATOM 0 H GLY A 50 0.930 -10.861 3.720 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.186 -10.803 2.052 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.877 -12.106 3.182 1.00 0.00 H new ATOM 794 N ALA A 51 -2.237 -10.443 5.143 1.00 0.00 N ATOM 795 CA ALA A 51 -3.398 -10.110 5.959 1.00 0.00 C ATOM 796 C ALA A 51 -3.892 -8.698 5.660 1.00 0.00 C ATOM 797 O ALA A 51 -5.083 -8.484 5.428 1.00 0.00 O ATOM 798 CB ALA A 51 -3.063 -10.252 7.436 1.00 0.00 C ATOM 0 H ALA A 51 -1.353 -10.457 5.652 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.198 -10.807 5.711 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.939 -10.000 8.034 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.765 -11.280 7.644 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.245 -9.578 7.690 1.00 0.00 H new ATOM 804 N ILE A 52 -2.972 -7.740 5.668 1.00 0.00 N ATOM 805 CA ILE A 52 -3.315 -6.350 5.397 1.00 0.00 C ATOM 806 C ILE A 52 -4.022 -6.210 4.053 1.00 0.00 C ATOM 807 O ILE A 52 -5.010 -5.484 3.931 1.00 0.00 O ATOM 808 CB ILE A 52 -2.066 -5.450 5.403 1.00 0.00 C ATOM 809 CG1 ILE A 52 -1.374 -5.509 6.767 1.00 0.00 C ATOM 810 CG2 ILE A 52 -2.443 -4.017 5.056 1.00 0.00 C ATOM 811 CD1 ILE A 52 -0.009 -4.858 6.781 1.00 0.00 C ATOM 0 H ILE A 52 -1.983 -7.901 5.859 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.987 -6.030 6.194 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.370 -5.815 4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.008 -5.022 7.508 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.274 -6.551 7.070 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.549 -3.393 5.064 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.895 -3.990 4.065 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.155 -3.640 5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.422 -4.937 7.779 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.641 -5.360 6.064 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.105 -3.807 6.510 1.00 0.00 H new ATOM 823 N LEU A 53 -3.512 -6.911 3.047 1.00 0.00 N ATOM 824 CA LEU A 53 -4.095 -6.867 1.710 1.00 0.00 C ATOM 825 C LEU A 53 -5.586 -7.187 1.756 1.00 0.00 C ATOM 826 O LEU A 53 -6.380 -6.595 1.026 1.00 0.00 O ATOM 827 CB LEU A 53 -3.378 -7.853 0.787 1.00 0.00 C ATOM 828 CG LEU A 53 -2.021 -7.400 0.246 1.00 0.00 C ATOM 829 CD1 LEU A 53 -1.151 -8.603 -0.087 1.00 0.00 C ATOM 830 CD2 LEU A 53 -2.203 -6.516 -0.979 1.00 0.00 C ATOM 0 H LEU A 53 -2.696 -7.517 3.131 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.971 -5.857 1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.237 -8.789 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.031 -8.068 -0.059 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.520 -6.817 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.190 -8.262 -0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.992 -9.198 0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.647 -9.213 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.227 -6.203 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.725 -7.074 -1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.788 -5.636 -0.709 1.00 0.00 H new ATOM 842 N GLN A 54 -5.957 -8.127 2.619 1.00 0.00 N ATOM 843 CA GLN A 54 -7.353 -8.525 2.761 1.00 0.00 C ATOM 844 C GLN A 54 -8.084 -7.607 3.735 1.00 0.00 C ATOM 845 O GLN A 54 -9.311 -7.642 3.832 1.00 0.00 O ATOM 846 CB GLN A 54 -7.446 -9.975 3.240 1.00 0.00 C ATOM 847 CG GLN A 54 -8.676 -10.707 2.728 1.00 0.00 C ATOM 848 CD GLN A 54 -9.137 -11.802 3.669 1.00 0.00 C ATOM 849 OE1 GLN A 54 -9.139 -12.981 3.315 1.00 0.00 O ATOM 850 NE2 GLN A 54 -9.531 -11.418 4.878 1.00 0.00 N ATOM 0 H GLN A 54 -5.311 -8.627 3.230 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.830 -8.442 1.784 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.554 -10.513 2.919 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.452 -9.989 4.330 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.486 -9.992 2.584 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.456 -11.140 1.752 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.513 -10.430 5.130 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.851 -12.111 5.554 1.00 0.00 H new ATOM 859 N GLN A 55 -7.323 -6.788 4.454 1.00 0.00 N ATOM 860 CA GLN A 55 -7.900 -5.862 5.421 1.00 0.00 C ATOM 861 C GLN A 55 -8.116 -4.488 4.797 1.00 0.00 C ATOM 862 O GLN A 55 -8.953 -3.710 5.256 1.00 0.00 O ATOM 863 CB GLN A 55 -6.994 -5.742 6.647 1.00 0.00 C ATOM 864 CG GLN A 55 -6.982 -6.987 7.520 1.00 0.00 C ATOM 865 CD GLN A 55 -6.719 -6.674 8.980 1.00 0.00 C ATOM 866 OE1 GLN A 55 -7.094 -5.611 9.476 1.00 0.00 O ATOM 867 NE2 GLN A 55 -6.071 -7.600 9.676 1.00 0.00 N ATOM 0 H GLN A 55 -6.306 -6.747 4.385 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.868 -6.256 5.731 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.977 -5.530 6.317 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.319 -4.891 7.246 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.940 -7.499 7.429 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.218 -7.674 7.156 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.779 -8.466 9.224 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.865 -7.445 10.663 1.00 0.00 H new ATOM 876 N VAL A 56 -7.355 -4.194 3.747 1.00 0.00 N ATOM 877 CA VAL A 56 -7.464 -2.913 3.059 1.00 0.00 C ATOM 878 C VAL A 56 -7.758 -3.108 1.576 1.00 0.00 C ATOM 879 O VAL A 56 -8.301 -2.221 0.918 1.00 0.00 O ATOM 880 CB VAL A 56 -6.175 -2.084 3.210 1.00 0.00 C ATOM 881 CG1 VAL A 56 -5.852 -1.860 4.680 1.00 0.00 C ATOM 882 CG2 VAL A 56 -5.016 -2.767 2.500 1.00 0.00 C ATOM 0 H VAL A 56 -6.657 -4.825 3.355 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.291 -2.375 3.522 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.334 -1.111 2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.938 -1.272 4.766 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.674 -1.325 5.156 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.713 -2.822 5.173 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.113 -2.167 2.617 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.855 -3.754 2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.248 -2.870 1.440 1.00 0.00 H new ATOM 892 N ALA A 57 -7.397 -4.277 1.056 1.00 0.00 N ATOM 893 CA ALA A 57 -7.625 -4.591 -0.349 1.00 0.00 C ATOM 894 C ALA A 57 -8.433 -5.875 -0.500 1.00 0.00 C ATOM 895 O ALA A 57 -8.759 -6.534 0.486 1.00 0.00 O ATOM 896 CB ALA A 57 -6.298 -4.709 -1.085 1.00 0.00 C ATOM 0 H ALA A 57 -6.946 -5.022 1.587 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.201 -3.777 -0.790 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.483 -4.944 -2.133 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.758 -3.765 -1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.702 -5.503 -0.635 1.00 0.00 H new ATOM 902 N ASN A 58 -8.753 -6.224 -1.742 1.00 0.00 N ATOM 903 CA ASN A 58 -9.525 -7.430 -2.023 1.00 0.00 C ATOM 904 C ASN A 58 -8.823 -8.294 -3.066 1.00 0.00 C ATOM 905 O ASN A 58 -8.405 -7.803 -4.115 1.00 0.00 O ATOM 906 CB ASN A 58 -10.928 -7.061 -2.509 1.00 0.00 C ATOM 907 CG ASN A 58 -11.756 -6.390 -1.430 1.00 0.00 C ATOM 908 OD1 ASN A 58 -11.719 -6.788 -0.266 1.00 0.00 O ATOM 909 ND2 ASN A 58 -12.508 -5.365 -1.814 1.00 0.00 N ATOM 0 H ASN A 58 -8.490 -5.689 -2.570 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.607 -8.003 -1.099 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.848 -6.395 -3.369 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.440 -7.961 -2.849 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -13.086 -4.873 -1.133 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.507 -5.069 -2.790 1.00 0.00 H new ATOM 916 N LEU A 59 -8.699 -9.583 -2.771 1.00 0.00 N ATOM 917 CA LEU A 59 -8.049 -10.518 -3.684 1.00 0.00 C ATOM 918 C LEU A 59 -8.995 -10.928 -4.807 1.00 0.00 C ATOM 919 O LEU A 59 -10.158 -11.248 -4.567 1.00 0.00 O ATOM 920 CB LEU A 59 -7.573 -11.757 -2.923 1.00 0.00 C ATOM 921 CG LEU A 59 -6.339 -12.459 -3.489 1.00 0.00 C ATOM 922 CD1 LEU A 59 -6.011 -13.701 -2.675 1.00 0.00 C ATOM 923 CD2 LEU A 59 -6.554 -12.819 -4.952 1.00 0.00 C ATOM 0 H LEU A 59 -9.040 -10.005 -1.907 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.187 -10.018 -4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.361 -11.468 -1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.392 -12.476 -2.890 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.494 -11.774 -3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.130 -14.188 -3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.813 -13.417 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.855 -14.390 -2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.665 -13.318 -5.338 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.412 -13.486 -5.040 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.739 -11.911 -5.527 1.00 0.00 H new ATOM 935 N ASN A 60 -8.486 -10.919 -6.035 1.00 0.00 N ATOM 936 CA ASN A 60 -9.285 -11.293 -7.197 1.00 0.00 C ATOM 937 C ASN A 60 -8.824 -12.631 -7.767 1.00 0.00 C ATOM 938 O ASN A 60 -8.001 -12.677 -8.681 1.00 0.00 O ATOM 939 CB ASN A 60 -9.196 -10.209 -8.273 1.00 0.00 C ATOM 940 CG ASN A 60 -10.444 -10.142 -9.131 1.00 0.00 C ATOM 941 OD1 ASN A 60 -11.216 -11.099 -9.199 1.00 0.00 O ATOM 942 ND2 ASN A 60 -10.648 -9.008 -9.791 1.00 0.00 N ATOM 0 H ASN A 60 -7.524 -10.657 -6.251 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.322 -11.393 -6.877 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.033 -9.242 -7.798 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.332 -10.402 -8.908 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.471 -8.904 -10.384 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.981 -8.241 -9.705 1.00 0.00 H new ATOM 949 N SER A 61 -9.362 -13.717 -7.221 1.00 0.00 N ATOM 950 CA SER A 61 -9.003 -15.056 -7.673 1.00 0.00 C ATOM 951 C SER A 61 -8.790 -15.081 -9.183 1.00 0.00 C ATOM 952 O SER A 61 -7.992 -15.867 -9.697 1.00 0.00 O ATOM 953 CB SER A 61 -10.094 -16.057 -7.284 1.00 0.00 C ATOM 954 OG SER A 61 -10.230 -16.142 -5.876 1.00 0.00 O ATOM 0 H SER A 61 -10.047 -13.696 -6.466 1.00 0.00 H new ATOM 0 HA SER A 61 -8.069 -15.339 -7.187 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.043 -15.755 -7.727 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.852 -17.039 -7.689 1.00 0.00 H new ATOM 0 HG SER A 61 -10.934 -16.786 -5.654 1.00 0.00 H new ATOM 960 N LYS A 62 -9.508 -14.215 -9.890 1.00 0.00 N ATOM 961 CA LYS A 62 -9.397 -14.135 -11.342 1.00 0.00 C ATOM 962 C LYS A 62 -7.939 -14.005 -11.771 1.00 0.00 C ATOM 963 O LYS A 62 -7.420 -14.847 -12.503 1.00 0.00 O ATOM 964 CB LYS A 62 -10.203 -12.946 -11.870 1.00 0.00 C ATOM 965 CG LYS A 62 -10.724 -13.143 -13.283 1.00 0.00 C ATOM 966 CD LYS A 62 -12.089 -13.810 -13.287 1.00 0.00 C ATOM 967 CE LYS A 62 -13.208 -12.789 -13.155 1.00 0.00 C ATOM 968 NZ LYS A 62 -14.489 -13.421 -12.735 1.00 0.00 N ATOM 0 H LYS A 62 -10.173 -13.559 -9.481 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.800 -15.056 -11.763 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.046 -12.764 -11.203 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.578 -12.054 -11.844 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.788 -12.178 -13.786 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.019 -13.751 -13.850 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.217 -14.374 -14.211 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.148 -14.525 -12.466 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.922 -12.029 -12.428 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.350 -12.280 -14.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -15.226 -12.692 -12.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.775 -14.128 -13.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.361 -13.885 -11.813 1.00 0.00 H new ATOM 982 N ASP A 63 -7.284 -12.946 -11.308 1.00 0.00 N ATOM 983 CA ASP A 63 -5.885 -12.707 -11.642 1.00 0.00 C ATOM 984 C ASP A 63 -5.008 -12.781 -10.395 1.00 0.00 C ATOM 985 O ASP A 63 -3.840 -12.390 -10.421 1.00 0.00 O ATOM 986 CB ASP A 63 -5.724 -11.342 -12.314 1.00 0.00 C ATOM 987 CG ASP A 63 -5.894 -11.413 -13.818 1.00 0.00 C ATOM 988 OD1 ASP A 63 -5.043 -12.041 -14.483 1.00 0.00 O ATOM 989 OD2 ASP A 63 -6.880 -10.843 -14.331 1.00 0.00 O ATOM 0 H ASP A 63 -7.699 -12.240 -10.701 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.565 -13.484 -12.336 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.456 -10.648 -11.901 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.738 -10.940 -12.081 1.00 0.00 H new ATOM 994 N LEU A 64 -5.580 -13.282 -9.306 1.00 0.00 N ATOM 995 CA LEU A 64 -4.851 -13.406 -8.048 1.00 0.00 C ATOM 996 C LEU A 64 -4.213 -12.078 -7.655 1.00 0.00 C ATOM 997 O LEU A 64 -3.221 -12.046 -6.927 1.00 0.00 O ATOM 998 CB LEU A 64 -3.775 -14.487 -8.164 1.00 0.00 C ATOM 999 CG LEU A 64 -4.240 -15.925 -7.931 1.00 0.00 C ATOM 1000 CD1 LEU A 64 -3.267 -16.910 -8.560 1.00 0.00 C ATOM 1001 CD2 LEU A 64 -4.395 -16.202 -6.443 1.00 0.00 C ATOM 0 H LEU A 64 -6.545 -13.609 -9.268 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.561 -13.690 -7.272 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.333 -14.426 -9.158 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.984 -14.262 -7.449 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.212 -16.053 -8.407 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.615 -17.928 -8.384 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.207 -16.728 -9.633 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.280 -16.781 -8.115 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.727 -17.230 -6.297 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.437 -16.055 -5.944 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.133 -15.519 -6.021 1.00 0.00 H new ATOM 1013 N SER A 65 -4.791 -10.983 -8.140 1.00 0.00 N ATOM 1014 CA SER A 65 -4.278 -9.652 -7.841 1.00 0.00 C ATOM 1015 C SER A 65 -5.124 -8.972 -6.768 1.00 0.00 C ATOM 1016 O SER A 65 -6.348 -9.098 -6.755 1.00 0.00 O ATOM 1017 CB SER A 65 -4.256 -8.794 -9.107 1.00 0.00 C ATOM 1018 OG SER A 65 -5.541 -8.267 -9.389 1.00 0.00 O ATOM 0 H SER A 65 -5.615 -10.992 -8.742 1.00 0.00 H new ATOM 0 HA SER A 65 -3.261 -9.758 -7.465 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.544 -7.978 -8.985 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.912 -9.393 -9.950 1.00 0.00 H new ATOM 0 HG SER A 65 -5.500 -7.721 -10.202 1.00 0.00 H new ATOM 1024 N TYR A 66 -4.461 -8.252 -5.869 1.00 0.00 N ATOM 1025 CA TYR A 66 -5.150 -7.555 -4.790 1.00 0.00 C ATOM 1026 C TYR A 66 -5.498 -6.127 -5.200 1.00 0.00 C ATOM 1027 O TYR A 66 -4.636 -5.367 -5.642 1.00 0.00 O ATOM 1028 CB TYR A 66 -4.284 -7.539 -3.530 1.00 0.00 C ATOM 1029 CG TYR A 66 -4.194 -8.881 -2.840 1.00 0.00 C ATOM 1030 CD1 TYR A 66 -5.152 -9.273 -1.913 1.00 0.00 C ATOM 1031 CD2 TYR A 66 -3.151 -9.757 -3.115 1.00 0.00 C ATOM 1032 CE1 TYR A 66 -5.073 -10.498 -1.280 1.00 0.00 C ATOM 1033 CE2 TYR A 66 -3.065 -10.985 -2.487 1.00 0.00 C ATOM 1034 CZ TYR A 66 -4.028 -11.351 -1.570 1.00 0.00 C ATOM 1035 OH TYR A 66 -3.947 -12.572 -0.942 1.00 0.00 O ATOM 0 H TYR A 66 -3.448 -8.136 -5.867 1.00 0.00 H new ATOM 0 HA TYR A 66 -6.076 -8.090 -4.579 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.280 -7.207 -3.794 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.688 -6.807 -2.831 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.972 -8.609 -1.684 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.395 -9.473 -3.832 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.826 -10.787 -0.561 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.248 -11.654 -2.713 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.153 -13.051 -1.259 1.00 0.00 H new ATOM 1045 N THR A 67 -6.770 -5.768 -5.049 1.00 0.00 N ATOM 1046 CA THR A 67 -7.234 -4.433 -5.402 1.00 0.00 C ATOM 1047 C THR A 67 -7.603 -3.632 -4.159 1.00 0.00 C ATOM 1048 O THR A 67 -8.418 -4.068 -3.346 1.00 0.00 O ATOM 1049 CB THR A 67 -8.454 -4.493 -6.341 1.00 0.00 C ATOM 1050 OG1 THR A 67 -9.584 -5.028 -5.643 1.00 0.00 O ATOM 1051 CG2 THR A 67 -8.155 -5.348 -7.563 1.00 0.00 C ATOM 0 H THR A 67 -7.496 -6.384 -4.684 1.00 0.00 H new ATOM 0 HA THR A 67 -6.411 -3.939 -5.918 1.00 0.00 H new ATOM 0 HB THR A 67 -8.679 -3.479 -6.673 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.440 -4.948 -4.677 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.031 -5.375 -8.211 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.313 -4.921 -8.108 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.906 -6.361 -7.246 1.00 0.00 H new ATOM 1059 N LEU A 68 -6.999 -2.457 -4.017 1.00 0.00 N ATOM 1060 CA LEU A 68 -7.265 -1.593 -2.872 1.00 0.00 C ATOM 1061 C LEU A 68 -8.760 -1.331 -2.723 1.00 0.00 C ATOM 1062 O LEU A 68 -9.433 -0.947 -3.680 1.00 0.00 O ATOM 1063 CB LEU A 68 -6.516 -0.268 -3.023 1.00 0.00 C ATOM 1064 CG LEU A 68 -6.088 0.413 -1.723 1.00 0.00 C ATOM 1065 CD1 LEU A 68 -6.002 1.919 -1.912 1.00 0.00 C ATOM 1066 CD2 LEU A 68 -7.053 0.070 -0.598 1.00 0.00 C ATOM 0 H LEU A 68 -6.322 -2.081 -4.681 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.913 -2.102 -1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.626 -0.444 -3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.149 0.423 -3.580 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.099 0.044 -1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.696 2.386 -0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.271 2.147 -2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.977 2.305 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.732 0.564 0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.055 0.409 -0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.064 -1.009 -0.445 1.00 0.00 H new ATOM 1078 N LYS A 69 -9.274 -1.540 -1.516 1.00 0.00 N ATOM 1079 CA LYS A 69 -10.689 -1.323 -1.239 1.00 0.00 C ATOM 1080 C LYS A 69 -11.130 0.060 -1.708 1.00 0.00 C ATOM 1081 O LYS A 69 -10.353 0.796 -2.316 1.00 0.00 O ATOM 1082 CB LYS A 69 -10.966 -1.478 0.258 1.00 0.00 C ATOM 1083 CG LYS A 69 -11.102 -2.923 0.706 1.00 0.00 C ATOM 1084 CD LYS A 69 -10.972 -3.055 2.214 1.00 0.00 C ATOM 1085 CE LYS A 69 -10.692 -4.491 2.626 1.00 0.00 C ATOM 1086 NZ LYS A 69 -11.947 -5.253 2.872 1.00 0.00 N ATOM 0 H LYS A 69 -8.732 -1.860 -0.713 1.00 0.00 H new ATOM 0 HA LYS A 69 -11.260 -2.072 -1.788 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.159 -1.007 0.819 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.882 -0.942 0.507 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.069 -3.314 0.388 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.337 -3.529 0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.168 -2.410 2.569 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.890 -2.711 2.691 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.114 -4.986 1.846 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.081 -4.497 3.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.713 -6.227 3.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.487 -4.795 3.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.519 -5.269 2.004 1.00 0.00 H new ATOM 1100 N ASP A 70 -12.380 0.406 -1.420 1.00 0.00 N ATOM 1101 CA ASP A 70 -12.923 1.702 -1.810 1.00 0.00 C ATOM 1102 C ASP A 70 -12.853 2.692 -0.651 1.00 0.00 C ATOM 1103 O ASP A 70 -12.526 3.863 -0.841 1.00 0.00 O ATOM 1104 CB ASP A 70 -14.370 1.551 -2.282 1.00 0.00 C ATOM 1105 CG ASP A 70 -15.182 0.644 -1.379 1.00 0.00 C ATOM 1106 OD1 ASP A 70 -14.921 -0.577 -1.375 1.00 0.00 O ATOM 1107 OD2 ASP A 70 -16.079 1.155 -0.676 1.00 0.00 O ATOM 0 H ASP A 70 -13.036 -0.193 -0.918 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.320 2.089 -2.631 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.840 2.534 -2.323 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.378 1.151 -3.296 1.00 0.00 H new ATOM 1112 N TYR A 71 -13.164 2.213 0.548 1.00 0.00 N ATOM 1113 CA TYR A 71 -13.141 3.056 1.737 1.00 0.00 C ATOM 1114 C TYR A 71 -11.713 3.465 2.087 1.00 0.00 C ATOM 1115 O TYR A 71 -11.442 4.630 2.377 1.00 0.00 O ATOM 1116 CB TYR A 71 -13.777 2.324 2.920 1.00 0.00 C ATOM 1117 CG TYR A 71 -12.781 1.578 3.778 1.00 0.00 C ATOM 1118 CD1 TYR A 71 -12.363 0.298 3.438 1.00 0.00 C ATOM 1119 CD2 TYR A 71 -12.258 2.153 4.930 1.00 0.00 C ATOM 1120 CE1 TYR A 71 -11.453 -0.388 4.219 1.00 0.00 C ATOM 1121 CE2 TYR A 71 -11.347 1.475 5.716 1.00 0.00 C ATOM 1122 CZ TYR A 71 -10.948 0.205 5.357 1.00 0.00 C ATOM 1123 OH TYR A 71 -10.041 -0.474 6.138 1.00 0.00 O ATOM 0 H TYR A 71 -13.435 1.245 0.722 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.717 3.957 1.523 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -14.308 3.046 3.540 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -14.519 1.620 2.544 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -12.756 -0.169 2.547 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.569 3.147 5.215 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.139 -1.383 3.940 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.949 1.937 6.607 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.784 0.084 6.901 1.00 0.00 H new ATOM 1133 N VAL A 72 -10.803 2.497 2.056 1.00 0.00 N ATOM 1134 CA VAL A 72 -9.402 2.754 2.368 1.00 0.00 C ATOM 1135 C VAL A 72 -8.893 3.988 1.632 1.00 0.00 C ATOM 1136 O VAL A 72 -8.035 4.714 2.134 1.00 0.00 O ATOM 1137 CB VAL A 72 -8.515 1.549 2.002 1.00 0.00 C ATOM 1138 CG1 VAL A 72 -7.063 1.827 2.358 1.00 0.00 C ATOM 1139 CG2 VAL A 72 -9.012 0.291 2.698 1.00 0.00 C ATOM 0 H VAL A 72 -11.011 1.527 1.818 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.343 2.925 3.443 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.576 1.389 0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.452 0.965 2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.715 2.702 1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.980 2.014 3.429 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.374 -0.550 2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.983 0.437 3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.036 0.084 2.387 1.00 0.00 H new ATOM 1149 N PHE A 73 -9.428 4.221 0.438 1.00 0.00 N ATOM 1150 CA PHE A 73 -9.028 5.367 -0.369 1.00 0.00 C ATOM 1151 C PHE A 73 -9.065 6.651 0.454 1.00 0.00 C ATOM 1152 O PHE A 73 -8.255 7.556 0.252 1.00 0.00 O ATOM 1153 CB PHE A 73 -9.942 5.504 -1.589 1.00 0.00 C ATOM 1154 CG PHE A 73 -9.631 4.524 -2.684 1.00 0.00 C ATOM 1155 CD1 PHE A 73 -8.327 4.333 -3.112 1.00 0.00 C ATOM 1156 CD2 PHE A 73 -10.643 3.793 -3.285 1.00 0.00 C ATOM 1157 CE1 PHE A 73 -8.038 3.432 -4.119 1.00 0.00 C ATOM 1158 CE2 PHE A 73 -10.360 2.890 -4.292 1.00 0.00 C ATOM 1159 CZ PHE A 73 -9.055 2.710 -4.710 1.00 0.00 C ATOM 0 H PHE A 73 -10.140 3.631 0.008 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.005 5.202 -0.707 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -10.977 5.369 -1.275 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.858 6.517 -1.984 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.527 4.895 -2.653 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.665 3.931 -2.963 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.017 3.293 -4.443 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.158 2.326 -4.752 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.831 2.006 -5.498 1.00 0.00 H new ATOM 1169 N LYS A 74 -10.011 6.724 1.384 1.00 0.00 N ATOM 1170 CA LYS A 74 -10.156 7.895 2.240 1.00 0.00 C ATOM 1171 C LYS A 74 -9.036 7.955 3.274 1.00 0.00 C ATOM 1172 O LYS A 74 -8.640 9.035 3.711 1.00 0.00 O ATOM 1173 CB LYS A 74 -11.514 7.873 2.945 1.00 0.00 C ATOM 1174 CG LYS A 74 -11.507 7.106 4.255 1.00 0.00 C ATOM 1175 CD LYS A 74 -12.806 7.297 5.021 1.00 0.00 C ATOM 1176 CE LYS A 74 -12.913 8.702 5.594 1.00 0.00 C ATOM 1177 NZ LYS A 74 -13.824 8.753 6.770 1.00 0.00 N ATOM 0 H LYS A 74 -10.690 5.984 1.564 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.095 8.783 1.611 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.831 8.898 3.136 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.253 7.429 2.278 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.354 6.045 4.056 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.670 7.439 4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.651 7.107 4.359 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.864 6.568 5.829 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.923 9.051 5.886 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.276 9.382 4.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.870 9.727 7.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.775 8.444 6.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.464 8.124 7.516 1.00 0.00 H new ATOM 1191 N GLU A 75 -8.529 6.788 3.659 1.00 0.00 N ATOM 1192 CA GLU A 75 -7.454 6.710 4.641 1.00 0.00 C ATOM 1193 C GLU A 75 -6.125 7.142 4.028 1.00 0.00 C ATOM 1194 O GLU A 75 -5.243 7.647 4.723 1.00 0.00 O ATOM 1195 CB GLU A 75 -7.337 5.286 5.189 1.00 0.00 C ATOM 1196 CG GLU A 75 -8.587 4.805 5.905 1.00 0.00 C ATOM 1197 CD GLU A 75 -8.287 3.770 6.972 1.00 0.00 C ATOM 1198 OE1 GLU A 75 -7.815 2.670 6.615 1.00 0.00 O ATOM 1199 OE2 GLU A 75 -8.524 4.060 8.163 1.00 0.00 O ATOM 0 H GLU A 75 -8.845 5.885 3.306 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.694 7.388 5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.115 4.606 4.366 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.493 5.239 5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.090 5.657 6.362 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.278 4.380 5.176 1.00 0.00 H new ATOM 1206 N LEU A 76 -5.988 6.938 2.722 1.00 0.00 N ATOM 1207 CA LEU A 76 -4.767 7.305 2.014 1.00 0.00 C ATOM 1208 C LEU A 76 -4.312 8.708 2.404 1.00 0.00 C ATOM 1209 O LEU A 76 -5.058 9.460 3.032 1.00 0.00 O ATOM 1210 CB LEU A 76 -4.988 7.230 0.503 1.00 0.00 C ATOM 1211 CG LEU A 76 -5.030 5.826 -0.100 1.00 0.00 C ATOM 1212 CD1 LEU A 76 -5.544 5.874 -1.531 1.00 0.00 C ATOM 1213 CD2 LEU A 76 -3.652 5.182 -0.049 1.00 0.00 C ATOM 0 H LEU A 76 -6.708 6.520 2.132 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.987 6.598 2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.926 7.733 0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.193 7.791 0.011 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.716 5.219 0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.567 4.865 -1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.550 6.293 -1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.884 6.498 -2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.701 4.183 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.946 5.789 -0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.321 5.112 0.987 1.00 0.00 H new ATOM 1225 N GLN A 77 -3.086 9.054 2.025 1.00 0.00 N ATOM 1226 CA GLN A 77 -2.534 10.368 2.335 1.00 0.00 C ATOM 1227 C GLN A 77 -2.155 11.113 1.059 1.00 0.00 C ATOM 1228 O GLN A 77 -1.270 10.684 0.318 1.00 0.00 O ATOM 1229 CB GLN A 77 -1.310 10.229 3.241 1.00 0.00 C ATOM 1230 CG GLN A 77 -1.524 9.285 4.413 1.00 0.00 C ATOM 1231 CD GLN A 77 -2.070 9.992 5.639 1.00 0.00 C ATOM 1232 OE1 GLN A 77 -2.458 11.159 5.576 1.00 0.00 O ATOM 1233 NE2 GLN A 77 -2.104 9.286 6.763 1.00 0.00 N ATOM 0 H GLN A 77 -2.457 8.444 1.504 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.300 10.943 2.856 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.468 9.873 2.648 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.038 11.213 3.623 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.213 8.494 4.117 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.578 8.805 4.666 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.772 8.322 6.770 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.462 9.708 7.620 1.00 0.00 H new ATOM 1242 N ARG A 78 -2.831 12.230 0.809 1.00 0.00 N ATOM 1243 CA ARG A 78 -2.566 13.033 -0.378 1.00 0.00 C ATOM 1244 C ARG A 78 -1.112 13.497 -0.408 1.00 0.00 C ATOM 1245 O ARG A 78 -0.538 13.706 -1.477 1.00 0.00 O ATOM 1246 CB ARG A 78 -3.499 14.244 -0.419 1.00 0.00 C ATOM 1247 CG ARG A 78 -4.814 13.976 -1.132 1.00 0.00 C ATOM 1248 CD ARG A 78 -4.705 14.247 -2.624 1.00 0.00 C ATOM 1249 NE ARG A 78 -4.436 15.655 -2.907 1.00 0.00 N ATOM 1250 CZ ARG A 78 -4.744 16.245 -4.056 1.00 0.00 C ATOM 1251 NH1 ARG A 78 -5.328 15.554 -5.025 1.00 0.00 N ATOM 1252 NH2 ARG A 78 -4.468 17.530 -4.238 1.00 0.00 N ATOM 0 H ARG A 78 -3.566 12.599 1.413 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.749 12.411 -1.254 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.708 14.566 0.601 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.988 15.069 -0.915 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.112 12.940 -0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.596 14.603 -0.703 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.909 13.634 -3.046 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.631 13.949 -3.115 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.987 16.215 -2.182 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.542 14.566 -4.889 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.563 16.010 -5.906 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.019 18.065 -3.495 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.705 17.982 -5.121 1.00 0.00 H new ATOM 1266 N ASP A 79 -0.523 13.656 0.772 1.00 0.00 N ATOM 1267 CA ASP A 79 0.863 14.094 0.882 1.00 0.00 C ATOM 1268 C ASP A 79 1.800 12.900 1.036 1.00 0.00 C ATOM 1269 O ASP A 79 2.822 12.984 1.717 1.00 0.00 O ATOM 1270 CB ASP A 79 1.028 15.043 2.070 1.00 0.00 C ATOM 1271 CG ASP A 79 0.527 16.442 1.767 1.00 0.00 C ATOM 1272 OD1 ASP A 79 1.323 17.260 1.259 1.00 0.00 O ATOM 1273 OD2 ASP A 79 -0.660 16.718 2.038 1.00 0.00 O ATOM 0 H ASP A 79 -0.984 13.488 1.666 1.00 0.00 H new ATOM 0 HA ASP A 79 1.124 14.623 -0.035 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.487 14.644 2.928 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.080 15.090 2.351 1.00 0.00 H new ATOM 1278 N TRP A 80 1.444 11.790 0.400 1.00 0.00 N ATOM 1279 CA TRP A 80 2.252 10.578 0.467 1.00 0.00 C ATOM 1280 C TRP A 80 3.523 10.725 -0.362 1.00 0.00 C ATOM 1281 O TRP A 80 3.482 10.991 -1.564 1.00 0.00 O ATOM 1282 CB TRP A 80 1.446 9.374 -0.023 1.00 0.00 C ATOM 1283 CG TRP A 80 2.175 8.072 0.119 1.00 0.00 C ATOM 1284 CD1 TRP A 80 2.625 7.271 -0.891 1.00 0.00 C ATOM 1285 CD2 TRP A 80 2.537 7.422 1.341 1.00 0.00 C ATOM 1286 NE1 TRP A 80 3.245 6.161 -0.370 1.00 0.00 N ATOM 1287 CE2 TRP A 80 3.205 6.230 0.997 1.00 0.00 C ATOM 1288 CE3 TRP A 80 2.364 7.730 2.693 1.00 0.00 C ATOM 1289 CZ2 TRP A 80 3.698 5.349 1.956 1.00 0.00 C ATOM 1290 CZ3 TRP A 80 2.853 6.854 3.644 1.00 0.00 C ATOM 1291 CH2 TRP A 80 3.514 5.676 3.272 1.00 0.00 C ATOM 0 H TRP A 80 0.601 11.704 -0.168 1.00 0.00 H new ATOM 0 HA TRP A 80 2.535 10.417 1.507 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.511 9.321 0.534 1.00 0.00 H new ATOM 0 HB3 TRP A 80 1.185 9.523 -1.071 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.510 7.479 -1.945 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.667 5.408 -0.913 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.857 8.636 2.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 4.207 4.440 1.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.723 7.082 4.692 1.00 0.00 H new ATOM 0 HH2 TRP A 80 3.886 5.013 4.039 1.00 0.00 H new ATOM 1302 N PRO A 81 4.681 10.548 0.291 1.00 0.00 N ATOM 1303 CA PRO A 81 5.986 10.656 -0.368 1.00 0.00 C ATOM 1304 C PRO A 81 6.244 9.506 -1.336 1.00 0.00 C ATOM 1305 O PRO A 81 7.246 9.495 -2.049 1.00 0.00 O ATOM 1306 CB PRO A 81 6.977 10.606 0.798 1.00 0.00 C ATOM 1307 CG PRO A 81 6.258 9.870 1.875 1.00 0.00 C ATOM 1308 CD PRO A 81 4.806 10.229 1.723 1.00 0.00 C ATOM 0 HA PRO A 81 6.063 11.559 -0.973 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.896 10.094 0.514 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.257 11.608 1.122 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.406 8.794 1.779 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.630 10.156 2.859 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.156 9.402 2.009 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.535 11.079 2.349 1.00 0.00 H new ATOM 1316 N GLY A 82 5.332 8.538 -1.355 1.00 0.00 N ATOM 1317 CA GLY A 82 5.479 7.397 -2.239 1.00 0.00 C ATOM 1318 C GLY A 82 4.994 7.688 -3.646 1.00 0.00 C ATOM 1319 O GLY A 82 5.357 6.988 -4.592 1.00 0.00 O ATOM 0 H GLY A 82 4.494 8.524 -0.774 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.527 7.100 -2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.922 6.553 -1.833 1.00 0.00 H new ATOM 1323 N TYR A 83 4.171 8.721 -3.784 1.00 0.00 N ATOM 1324 CA TYR A 83 3.632 9.100 -5.085 1.00 0.00 C ATOM 1325 C TYR A 83 4.555 10.089 -5.790 1.00 0.00 C ATOM 1326 O TYR A 83 4.737 11.218 -5.335 1.00 0.00 O ATOM 1327 CB TYR A 83 2.239 9.710 -4.926 1.00 0.00 C ATOM 1328 CG TYR A 83 1.238 8.775 -4.286 1.00 0.00 C ATOM 1329 CD1 TYR A 83 1.127 7.454 -4.702 1.00 0.00 C ATOM 1330 CD2 TYR A 83 0.402 9.212 -3.265 1.00 0.00 C ATOM 1331 CE1 TYR A 83 0.213 6.596 -4.121 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -0.513 8.361 -2.678 1.00 0.00 C ATOM 1333 CZ TYR A 83 -0.604 7.054 -3.109 1.00 0.00 C ATOM 1334 OH TYR A 83 -1.515 6.203 -2.527 1.00 0.00 O ATOM 0 H TYR A 83 3.862 9.311 -3.011 1.00 0.00 H new ATOM 0 HA TYR A 83 3.559 8.200 -5.695 1.00 0.00 H new ATOM 0 HB2 TYR A 83 2.315 10.615 -4.324 1.00 0.00 H new ATOM 0 HB3 TYR A 83 1.869 10.009 -5.906 1.00 0.00 H new ATOM 0 HD1 TYR A 83 1.766 7.091 -5.493 1.00 0.00 H new ATOM 0 HD2 TYR A 83 0.469 10.235 -2.925 1.00 0.00 H new ATOM 0 HE1 TYR A 83 0.139 5.572 -4.458 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.154 8.717 -1.885 1.00 0.00 H new ATOM 0 HH TYR A 83 -1.366 5.291 -2.854 1.00 0.00 H new ATOM 1344 N SER A 84 5.136 9.656 -6.905 1.00 0.00 N ATOM 1345 CA SER A 84 6.043 10.501 -7.672 1.00 0.00 C ATOM 1346 C SER A 84 5.271 11.573 -8.436 1.00 0.00 C ATOM 1347 O SER A 84 4.044 11.632 -8.373 1.00 0.00 O ATOM 1348 CB SER A 84 6.861 9.653 -8.647 1.00 0.00 C ATOM 1349 OG SER A 84 7.770 8.814 -7.955 1.00 0.00 O ATOM 0 H SER A 84 4.994 8.725 -7.297 1.00 0.00 H new ATOM 0 HA SER A 84 6.720 10.994 -6.974 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.191 9.045 -9.255 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.409 10.304 -9.329 1.00 0.00 H new ATOM 0 HG SER A 84 8.280 8.281 -8.601 1.00 0.00 H new ATOM 1355 N GLU A 85 6.001 12.417 -9.158 1.00 0.00 N ATOM 1356 CA GLU A 85 5.385 13.487 -9.934 1.00 0.00 C ATOM 1357 C GLU A 85 4.216 12.958 -10.759 1.00 0.00 C ATOM 1358 O GLU A 85 3.351 13.721 -11.190 1.00 0.00 O ATOM 1359 CB GLU A 85 6.419 14.139 -10.855 1.00 0.00 C ATOM 1360 CG GLU A 85 5.817 15.120 -11.848 1.00 0.00 C ATOM 1361 CD GLU A 85 6.868 15.811 -12.695 1.00 0.00 C ATOM 1362 OE1 GLU A 85 7.524 16.742 -12.184 1.00 0.00 O ATOM 1363 OE2 GLU A 85 7.033 15.420 -13.869 1.00 0.00 O ATOM 0 H GLU A 85 7.018 12.381 -9.222 1.00 0.00 H new ATOM 0 HA GLU A 85 5.006 14.234 -9.237 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.159 14.659 -10.246 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.948 13.359 -11.403 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.121 14.591 -12.499 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.240 15.871 -11.308 1.00 0.00 H new ATOM 1370 N ILE A 86 4.196 11.647 -10.973 1.00 0.00 N ATOM 1371 CA ILE A 86 3.133 11.015 -11.745 1.00 0.00 C ATOM 1372 C ILE A 86 2.053 10.448 -10.831 1.00 0.00 C ATOM 1373 O ILE A 86 0.920 10.930 -10.819 1.00 0.00 O ATOM 1374 CB ILE A 86 3.680 9.885 -12.637 1.00 0.00 C ATOM 1375 CG1 ILE A 86 5.033 10.284 -13.231 1.00 0.00 C ATOM 1376 CG2 ILE A 86 2.687 9.554 -13.741 1.00 0.00 C ATOM 1377 CD1 ILE A 86 5.015 11.627 -13.927 1.00 0.00 C ATOM 0 H ILE A 86 4.904 11.002 -10.623 1.00 0.00 H new ATOM 0 HA ILE A 86 2.700 11.789 -12.378 1.00 0.00 H new ATOM 0 HB ILE A 86 3.822 8.995 -12.024 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.778 10.306 -12.435 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.348 9.520 -13.941 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.088 8.754 -14.363 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.745 9.232 -13.298 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.516 10.439 -14.354 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.007 11.845 -14.323 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.295 11.603 -14.745 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.731 12.402 -13.215 1.00 0.00 H new ATOM 1389 N ASP A 87 2.411 9.424 -10.065 1.00 0.00 N ATOM 1390 CA ASP A 87 1.473 8.792 -9.145 1.00 0.00 C ATOM 1391 C ASP A 87 0.504 9.819 -8.567 1.00 0.00 C ATOM 1392 O ASP A 87 -0.713 9.672 -8.681 1.00 0.00 O ATOM 1393 CB ASP A 87 2.228 8.092 -8.014 1.00 0.00 C ATOM 1394 CG ASP A 87 3.350 7.209 -8.526 1.00 0.00 C ATOM 1395 OD1 ASP A 87 3.727 7.356 -9.707 1.00 0.00 O ATOM 1396 OD2 ASP A 87 3.850 6.372 -7.746 1.00 0.00 O ATOM 0 H ASP A 87 3.345 9.013 -10.063 1.00 0.00 H new ATOM 0 HA ASP A 87 0.900 8.051 -9.702 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.639 8.841 -7.337 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.530 7.488 -7.434 1.00 0.00 H new ATOM 1401 N ARG A 88 1.053 10.858 -7.945 1.00 0.00 N ATOM 1402 CA ARG A 88 0.237 11.908 -7.347 1.00 0.00 C ATOM 1403 C ARG A 88 -0.896 12.316 -8.284 1.00 0.00 C ATOM 1404 O ARG A 88 -2.066 12.307 -7.901 1.00 0.00 O ATOM 1405 CB ARG A 88 1.100 13.126 -7.013 1.00 0.00 C ATOM 1406 CG ARG A 88 2.085 12.882 -5.881 1.00 0.00 C ATOM 1407 CD ARG A 88 3.053 14.044 -5.724 1.00 0.00 C ATOM 1408 NE ARG A 88 3.638 14.092 -4.387 1.00 0.00 N ATOM 1409 CZ ARG A 88 4.459 15.054 -3.978 1.00 0.00 C ATOM 1410 NH1 ARG A 88 4.789 16.042 -4.799 1.00 0.00 N ATOM 1411 NH2 ARG A 88 4.951 15.028 -2.746 1.00 0.00 N ATOM 0 H ARG A 88 2.059 10.995 -7.842 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.198 11.516 -6.428 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.651 13.426 -7.904 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.450 13.959 -6.745 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.540 12.733 -4.949 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.643 11.966 -6.074 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.848 13.956 -6.465 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.532 14.980 -5.925 1.00 0.00 H new ATOM 0 HE ARG A 88 3.404 13.347 -3.731 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.413 16.065 -5.747 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.419 16.779 -4.483 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.699 14.269 -2.112 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.581 15.766 -2.433 1.00 0.00 H new ATOM 1425 N ARG A 89 -0.540 12.675 -9.513 1.00 0.00 N ATOM 1426 CA ARG A 89 -1.527 13.088 -10.504 1.00 0.00 C ATOM 1427 C ARG A 89 -2.378 11.903 -10.951 1.00 0.00 C ATOM 1428 O ARG A 89 -3.472 12.079 -11.487 1.00 0.00 O ATOM 1429 CB ARG A 89 -0.833 13.717 -11.714 1.00 0.00 C ATOM 1430 CG ARG A 89 -0.152 12.703 -12.620 1.00 0.00 C ATOM 1431 CD ARG A 89 -0.137 13.171 -14.067 1.00 0.00 C ATOM 1432 NE ARG A 89 -1.409 12.919 -14.737 1.00 0.00 N ATOM 1433 CZ ARG A 89 -1.832 11.707 -15.079 1.00 0.00 C ATOM 1434 NH1 ARG A 89 -1.087 10.642 -14.815 1.00 0.00 N ATOM 1435 NH2 ARG A 89 -3.002 11.558 -15.687 1.00 0.00 N ATOM 0 H ARG A 89 0.424 12.688 -9.846 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.181 13.828 -10.043 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.568 14.275 -12.295 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.091 14.435 -11.364 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.870 12.538 -12.279 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.670 11.746 -12.551 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.085 14.238 -14.101 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.663 12.662 -14.604 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.006 13.717 -14.955 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.187 10.752 -14.348 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.414 9.713 -15.079 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.578 12.375 -15.892 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.326 10.627 -15.949 1.00 0.00 H new ATOM 1449 N SER A 90 -1.867 10.696 -10.728 1.00 0.00 N ATOM 1450 CA SER A 90 -2.578 9.482 -11.111 1.00 0.00 C ATOM 1451 C SER A 90 -3.503 9.018 -9.990 1.00 0.00 C ATOM 1452 O SER A 90 -4.439 8.251 -10.220 1.00 0.00 O ATOM 1453 CB SER A 90 -1.584 8.373 -11.461 1.00 0.00 C ATOM 1454 OG SER A 90 -1.212 8.434 -12.827 1.00 0.00 O ATOM 0 H SER A 90 -0.963 10.533 -10.284 1.00 0.00 H new ATOM 0 HA SER A 90 -3.184 9.706 -11.989 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.697 8.465 -10.835 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.028 7.401 -11.245 1.00 0.00 H new ATOM 0 HG SER A 90 -0.575 7.716 -13.025 1.00 0.00 H new ATOM 1460 N LEU A 91 -3.234 9.488 -8.777 1.00 0.00 N ATOM 1461 CA LEU A 91 -4.042 9.121 -7.619 1.00 0.00 C ATOM 1462 C LEU A 91 -5.166 10.129 -7.398 1.00 0.00 C ATOM 1463 O LEU A 91 -6.330 9.754 -7.264 1.00 0.00 O ATOM 1464 CB LEU A 91 -3.165 9.035 -6.368 1.00 0.00 C ATOM 1465 CG LEU A 91 -3.851 9.371 -5.043 1.00 0.00 C ATOM 1466 CD1 LEU A 91 -3.203 8.608 -3.899 1.00 0.00 C ATOM 1467 CD2 LEU A 91 -3.803 10.869 -4.783 1.00 0.00 C ATOM 0 H LEU A 91 -2.463 10.123 -8.570 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.487 8.145 -7.811 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.762 8.024 -6.300 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.317 9.708 -6.496 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.896 9.068 -5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.704 8.859 -2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.290 7.537 -4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.150 8.880 -3.831 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.296 11.090 -3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.765 11.197 -4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.314 11.395 -5.589 1.00 0.00 H new ATOM 1479 N GLU A 92 -4.808 11.408 -7.362 1.00 0.00 N ATOM 1480 CA GLU A 92 -5.787 12.469 -7.159 1.00 0.00 C ATOM 1481 C GLU A 92 -7.126 12.103 -7.793 1.00 0.00 C ATOM 1482 O GLU A 92 -8.182 12.279 -7.185 1.00 0.00 O ATOM 1483 CB GLU A 92 -5.275 13.786 -7.747 1.00 0.00 C ATOM 1484 CG GLU A 92 -4.763 13.658 -9.171 1.00 0.00 C ATOM 1485 CD GLU A 92 -5.830 13.962 -10.205 1.00 0.00 C ATOM 1486 OE1 GLU A 92 -6.345 15.100 -10.207 1.00 0.00 O ATOM 1487 OE2 GLU A 92 -6.150 13.063 -11.010 1.00 0.00 O ATOM 0 H GLU A 92 -3.848 11.735 -7.471 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.934 12.591 -6.086 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.079 14.521 -7.724 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.474 14.169 -7.115 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.922 14.336 -9.313 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.388 12.647 -9.328 1.00 0.00 H new ATOM 1494 N SER A 93 -7.073 11.593 -9.019 1.00 0.00 N ATOM 1495 CA SER A 93 -8.281 11.205 -9.739 1.00 0.00 C ATOM 1496 C SER A 93 -8.976 10.038 -9.045 1.00 0.00 C ATOM 1497 O SER A 93 -10.116 10.157 -8.596 1.00 0.00 O ATOM 1498 CB SER A 93 -7.941 10.827 -11.182 1.00 0.00 C ATOM 1499 OG SER A 93 -9.016 10.135 -11.794 1.00 0.00 O ATOM 0 H SER A 93 -6.207 11.439 -9.535 1.00 0.00 H new ATOM 0 HA SER A 93 -8.960 12.057 -9.745 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.712 11.727 -11.753 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.047 10.203 -11.197 1.00 0.00 H new ATOM 0 HG SER A 93 -8.775 9.906 -12.716 1.00 0.00 H new ATOM 1505 N VAL A 94 -8.280 8.909 -8.960 1.00 0.00 N ATOM 1506 CA VAL A 94 -8.828 7.719 -8.320 1.00 0.00 C ATOM 1507 C VAL A 94 -9.727 8.091 -7.147 1.00 0.00 C ATOM 1508 O VAL A 94 -10.916 7.767 -7.134 1.00 0.00 O ATOM 1509 CB VAL A 94 -7.710 6.785 -7.820 1.00 0.00 C ATOM 1510 CG1 VAL A 94 -8.288 5.675 -6.956 1.00 0.00 C ATOM 1511 CG2 VAL A 94 -6.933 6.208 -8.994 1.00 0.00 C ATOM 0 H VAL A 94 -7.335 8.793 -9.326 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.417 7.197 -9.074 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.021 7.367 -7.208 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.483 5.025 -6.612 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.796 6.111 -6.095 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.000 5.092 -7.540 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.147 5.551 -8.622 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -7.609 5.640 -9.634 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.486 7.019 -9.568 1.00 0.00 H new ATOM 1521 N LEU A 95 -9.153 8.773 -6.162 1.00 0.00 N ATOM 1522 CA LEU A 95 -9.903 9.191 -4.982 1.00 0.00 C ATOM 1523 C LEU A 95 -11.240 9.809 -5.378 1.00 0.00 C ATOM 1524 O LEU A 95 -12.265 9.550 -4.748 1.00 0.00 O ATOM 1525 CB LEU A 95 -9.087 10.192 -4.163 1.00 0.00 C ATOM 1526 CG LEU A 95 -7.796 9.658 -3.542 1.00 0.00 C ATOM 1527 CD1 LEU A 95 -6.958 10.800 -2.988 1.00 0.00 C ATOM 1528 CD2 LEU A 95 -8.110 8.645 -2.450 1.00 0.00 C ATOM 0 H LEU A 95 -8.171 9.048 -6.157 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.098 8.308 -4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.835 11.036 -4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.719 10.577 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.220 9.157 -4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.043 10.401 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.704 11.489 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.525 11.330 -2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.180 8.275 -2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.706 9.122 -1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.669 7.812 -2.876 1.00 0.00 H new ATOM 1540 N SER A 96 -11.222 10.625 -6.427 1.00 0.00 N ATOM 1541 CA SER A 96 -12.432 11.282 -6.906 1.00 0.00 C ATOM 1542 C SER A 96 -13.353 10.283 -7.601 1.00 0.00 C ATOM 1543 O SER A 96 -14.549 10.223 -7.315 1.00 0.00 O ATOM 1544 CB SER A 96 -12.076 12.418 -7.866 1.00 0.00 C ATOM 1545 OG SER A 96 -13.222 13.183 -8.199 1.00 0.00 O ATOM 0 H SER A 96 -10.382 10.847 -6.962 1.00 0.00 H new ATOM 0 HA SER A 96 -12.956 11.696 -6.045 1.00 0.00 H new ATOM 0 HB2 SER A 96 -11.325 13.062 -7.409 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.634 12.006 -8.773 1.00 0.00 H new ATOM 0 HG SER A 96 -12.967 13.904 -8.812 1.00 0.00 H new ATOM 1551 N ARG A 97 -12.786 9.502 -8.514 1.00 0.00 N ATOM 1552 CA ARG A 97 -13.555 8.507 -9.252 1.00 0.00 C ATOM 1553 C ARG A 97 -14.286 7.568 -8.297 1.00 0.00 C ATOM 1554 O ARG A 97 -15.384 7.095 -8.593 1.00 0.00 O ATOM 1555 CB ARG A 97 -12.637 7.702 -10.173 1.00 0.00 C ATOM 1556 CG ARG A 97 -11.865 8.558 -11.163 1.00 0.00 C ATOM 1557 CD ARG A 97 -12.605 8.685 -12.485 1.00 0.00 C ATOM 1558 NE ARG A 97 -13.592 9.761 -12.459 1.00 0.00 N ATOM 1559 CZ ARG A 97 -14.865 9.582 -12.125 1.00 0.00 C ATOM 1560 NH1 ARG A 97 -15.303 8.376 -11.791 1.00 0.00 N ATOM 1561 NH2 ARG A 97 -15.703 10.611 -12.125 1.00 0.00 N ATOM 0 H ARG A 97 -11.797 9.539 -8.761 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.295 9.031 -9.857 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -11.930 7.138 -9.565 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -13.235 6.975 -10.723 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -11.702 9.549 -10.739 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -10.882 8.120 -11.336 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -11.888 8.870 -13.285 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -13.102 7.742 -12.714 1.00 0.00 H new ATOM 0 HE ARG A 97 -13.287 10.701 -12.711 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -14.662 7.583 -11.790 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -16.281 8.241 -11.535 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -15.370 11.540 -12.382 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -16.680 10.473 -11.868 1.00 0.00 H new ATOM 1575 N LYS A 98 -13.670 7.302 -7.150 1.00 0.00 N ATOM 1576 CA LYS A 98 -14.261 6.420 -6.150 1.00 0.00 C ATOM 1577 C LYS A 98 -15.181 7.198 -5.214 1.00 0.00 C ATOM 1578 O LYS A 98 -16.376 6.913 -5.124 1.00 0.00 O ATOM 1579 CB LYS A 98 -13.164 5.724 -5.342 1.00 0.00 C ATOM 1580 CG LYS A 98 -12.364 4.714 -6.146 1.00 0.00 C ATOM 1581 CD LYS A 98 -13.135 3.419 -6.341 1.00 0.00 C ATOM 1582 CE LYS A 98 -12.520 2.564 -7.438 1.00 0.00 C ATOM 1583 NZ LYS A 98 -13.327 1.341 -7.706 1.00 0.00 N ATOM 0 H LYS A 98 -12.761 7.685 -6.890 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.853 5.667 -6.670 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -12.485 6.477 -4.943 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.618 5.219 -4.489 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -12.113 5.139 -7.118 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.423 4.505 -5.636 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -13.149 2.858 -5.406 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.171 3.646 -6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.436 3.151 -8.352 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.509 2.276 -7.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.875 0.785 -8.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -13.386 0.767 -6.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -14.284 1.616 -8.005 1.00 0.00 H new ATOM 1597 N LEU A 99 -14.617 8.180 -4.521 1.00 0.00 N ATOM 1598 CA LEU A 99 -15.387 9.001 -3.592 1.00 0.00 C ATOM 1599 C LEU A 99 -16.469 9.786 -4.328 1.00 0.00 C ATOM 1600 O LEU A 99 -16.217 10.873 -4.846 1.00 0.00 O ATOM 1601 CB LEU A 99 -14.463 9.963 -2.844 1.00 0.00 C ATOM 1602 CG LEU A 99 -13.382 9.317 -1.976 1.00 0.00 C ATOM 1603 CD1 LEU A 99 -12.245 10.294 -1.725 1.00 0.00 C ATOM 1604 CD2 LEU A 99 -13.973 8.832 -0.660 1.00 0.00 C ATOM 0 H LEU A 99 -13.630 8.428 -4.584 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.869 8.338 -2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -13.976 10.609 -3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -15.075 10.604 -2.210 1.00 0.00 H new ATOM 0 HG LEU A 99 -12.981 8.455 -2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -11.485 9.817 -1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -11.804 10.591 -2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -12.629 11.176 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -13.189 8.375 -0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -14.402 9.677 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.752 8.096 -0.860 1.00 0.00 H new ATOM 1616 N ASN A 100 -17.675 9.228 -4.367 1.00 0.00 N ATOM 1617 CA ASN A 100 -18.796 9.876 -5.037 1.00 0.00 C ATOM 1618 C ASN A 100 -19.570 10.764 -4.067 1.00 0.00 C ATOM 1619 O ASN A 100 -19.183 10.918 -2.909 1.00 0.00 O ATOM 1620 CB ASN A 100 -19.731 8.827 -5.642 1.00 0.00 C ATOM 1621 CG ASN A 100 -20.741 8.305 -4.639 1.00 0.00 C ATOM 1622 OD1 ASN A 100 -20.419 8.098 -3.468 1.00 0.00 O ATOM 1623 ND2 ASN A 100 -21.970 8.089 -5.094 1.00 0.00 N ATOM 0 H ASN A 100 -17.901 8.328 -3.942 1.00 0.00 H new ATOM 0 HA ASN A 100 -18.397 10.502 -5.836 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -20.258 9.261 -6.492 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -19.140 7.995 -6.025 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -22.692 7.738 -4.465 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -22.192 8.275 -6.072 1.00 0.00 H new