USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 549 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 57 CYS SG : rot 155:sc= -0.087 USER MOD Set 1.2: A 60 CYS SG : rot -123:sc= -3.1 USER MOD Set 1.3: A 73 HIS : no HE2:sc= -2.67! K(o=-8.8!,f=-8.1) USER MOD Set 1.4: A 74 THR OG1 : rot 79:sc= 1.01 USER MOD Set 1.5: A 78 HIS : no HD1:sc= -3.97! C(o=-8.8!,f=-8.6!) USER MOD Set 2.1: A 56 LYS NZ :NH3+ -122:sc= 0.126 (180deg=0) USER MOD Set 2.2: A 63 GLN : amide:sc= -0.909 K(o=-0.78,f=-6.3!) USER MOD Set 3.1: A 49 GLN : amide:sc= -0.636 K(o=-1.7,f=-5.4!) USER MOD Set 3.2: A 52 GLN : amide:sc= -1.11 K(o=-1.7,f=-3.6!) USER MOD Set 4.1: A 27 CYS SG : rot -143:sc= 0.531 USER MOD Set 4.2: A 29 THR OG1 : rot 162:sc= 0 USER MOD Set 4.3: A 30 CYS SG : rot -68:sc= -2.75! USER MOD Set 4.4: A 44 HIS : no HD1:sc= -1.22 X(o=-5.5,f=-5.4) USER MOD Set 4.5: A 48 CYS SG : rot 150:sc= -2.06 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 20 HIS : no HD1:sc= -2.8 K(o=-2.8,f=-0.82) USER MOD Single : A 31 ASN : amide:sc= -2.09! X(o=-2.1!,f=-1.9) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -51:sc= 1.04 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -176:sc= -1.52 (180deg=-1.54) USER MOD Single : A 50 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.626) USER MOD Single : A 58 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.11) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.11) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 159:sc= -0.206 (180deg=-0.836) USER MOD ----------------------------------------------------------------- ATOM 94 N PRO A 11 -2.912 16.508 -6.874 1.00 0.00 N ATOM 95 CA PRO A 11 -3.068 16.118 -8.278 1.00 0.00 C ATOM 96 C PRO A 11 -1.758 15.645 -8.898 1.00 0.00 C ATOM 97 O PRO A 11 -1.741 14.710 -9.697 1.00 0.00 O ATOM 98 CB PRO A 11 -3.545 17.406 -8.953 1.00 0.00 C ATOM 99 CG PRO A 11 -3.031 18.502 -8.085 1.00 0.00 C ATOM 100 CD PRO A 11 -3.050 17.962 -6.681 1.00 0.00 C ATOM 0 HA PRO A 11 -3.755 15.280 -8.394 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.155 17.489 -9.968 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.632 17.436 -9.026 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.022 18.791 -8.378 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.655 19.392 -8.169 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.234 18.367 -6.083 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.977 18.213 -6.166 1.00 0.00 H new ATOM 108 N GLU A 12 -0.662 16.298 -8.523 1.00 0.00 N ATOM 109 CA GLU A 12 0.653 15.943 -9.044 1.00 0.00 C ATOM 110 C GLU A 12 1.686 15.890 -7.922 1.00 0.00 C ATOM 111 O GLU A 12 2.275 16.908 -7.559 1.00 0.00 O ATOM 112 CB GLU A 12 1.093 16.949 -10.109 1.00 0.00 C ATOM 113 CG GLU A 12 0.095 17.108 -11.244 1.00 0.00 C ATOM 114 CD GLU A 12 -0.918 18.205 -10.981 1.00 0.00 C ATOM 115 OE1 GLU A 12 -0.667 19.042 -10.090 1.00 0.00 O ATOM 116 OE2 GLU A 12 -1.962 18.226 -11.667 1.00 0.00 O ATOM 0 H GLU A 12 -0.659 17.074 -7.861 1.00 0.00 H new ATOM 0 HA GLU A 12 0.581 14.954 -9.496 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.252 17.919 -9.637 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.052 16.634 -10.521 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.632 17.328 -12.167 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.429 16.164 -11.397 1.00 0.00 H new ATOM 123 N GLU A 13 1.900 14.696 -7.377 1.00 0.00 N ATOM 124 CA GLU A 13 2.860 14.511 -6.296 1.00 0.00 C ATOM 125 C GLU A 13 4.250 14.207 -6.849 1.00 0.00 C ATOM 126 O GLU A 13 5.238 14.814 -6.438 1.00 0.00 O ATOM 127 CB GLU A 13 2.408 13.379 -5.371 1.00 0.00 C ATOM 128 CG GLU A 13 1.046 13.615 -4.741 1.00 0.00 C ATOM 129 CD GLU A 13 0.389 12.330 -4.274 1.00 0.00 C ATOM 130 OE1 GLU A 13 0.722 11.861 -3.166 1.00 0.00 O ATOM 131 OE2 GLU A 13 -0.460 11.795 -5.018 1.00 0.00 O ATOM 0 H GLU A 13 1.421 13.843 -7.667 1.00 0.00 H new ATOM 0 HA GLU A 13 2.910 15.438 -5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.381 12.448 -5.937 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.147 13.250 -4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.154 14.292 -3.894 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.396 14.109 -5.463 1.00 0.00 H new ATOM 138 N GLN A 14 4.315 13.262 -7.782 1.00 0.00 N ATOM 139 CA GLN A 14 5.583 12.877 -8.390 1.00 0.00 C ATOM 140 C GLN A 14 5.799 13.610 -9.710 1.00 0.00 C ATOM 141 O GLN A 14 6.917 14.013 -10.031 1.00 0.00 O ATOM 142 CB GLN A 14 5.624 11.365 -8.619 1.00 0.00 C ATOM 143 CG GLN A 14 6.086 10.577 -7.404 1.00 0.00 C ATOM 144 CD GLN A 14 5.981 9.079 -7.605 1.00 0.00 C ATOM 145 OE1 GLN A 14 5.525 8.611 -8.649 1.00 0.00 O ATOM 146 NE2 GLN A 14 6.403 8.315 -6.604 1.00 0.00 N ATOM 0 H GLN A 14 3.506 12.750 -8.133 1.00 0.00 H new ATOM 0 HA GLN A 14 6.385 13.156 -7.706 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.630 11.023 -8.907 1.00 0.00 H new ATOM 0 HB3 GLN A 14 6.290 11.151 -9.455 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.120 10.838 -7.178 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.489 10.866 -6.539 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.774 8.744 -5.756 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.356 7.299 -6.683 1.00 0.00 H new ATOM 155 N TRP A 15 4.723 13.777 -10.470 1.00 0.00 N ATOM 156 CA TRP A 15 4.796 14.461 -11.757 1.00 0.00 C ATOM 157 C TRP A 15 5.222 15.913 -11.577 1.00 0.00 C ATOM 158 O TRP A 15 6.018 16.436 -12.357 1.00 0.00 O ATOM 159 CB TRP A 15 3.443 14.398 -12.468 1.00 0.00 C ATOM 160 CG TRP A 15 2.881 13.011 -12.554 1.00 0.00 C ATOM 161 CD1 TRP A 15 3.558 11.872 -12.885 1.00 0.00 C ATOM 162 CD2 TRP A 15 1.527 12.618 -12.309 1.00 0.00 C ATOM 163 NE1 TRP A 15 2.706 10.794 -12.859 1.00 0.00 N ATOM 164 CE2 TRP A 15 1.454 11.225 -12.508 1.00 0.00 C ATOM 165 CE3 TRP A 15 0.369 13.306 -11.938 1.00 0.00 C ATOM 166 CZ2 TRP A 15 0.270 10.511 -12.350 1.00 0.00 C ATOM 167 CZ3 TRP A 15 -0.807 12.596 -11.781 1.00 0.00 C ATOM 168 CH2 TRP A 15 -0.849 11.210 -11.986 1.00 0.00 C ATOM 0 H TRP A 15 3.791 13.449 -10.218 1.00 0.00 H new ATOM 0 HA TRP A 15 5.544 13.955 -12.368 1.00 0.00 H new ATOM 0 HB2 TRP A 15 2.734 15.038 -11.942 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.551 14.802 -13.475 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.609 11.825 -13.131 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.964 9.829 -13.067 1.00 0.00 H new ATOM 0 HE3 TRP A 15 0.392 14.374 -11.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.235 9.443 -12.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -1.708 13.118 -11.496 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -1.783 10.683 -11.854 1.00 0.00 H new ATOM 179 N GLN A 16 4.688 16.560 -10.546 1.00 0.00 N ATOM 180 CA GLN A 16 5.015 17.953 -10.266 1.00 0.00 C ATOM 181 C GLN A 16 6.509 18.121 -10.008 1.00 0.00 C ATOM 182 O GLN A 16 7.063 19.204 -10.195 1.00 0.00 O ATOM 183 CB GLN A 16 4.218 18.453 -9.060 1.00 0.00 C ATOM 184 CG GLN A 16 4.753 19.749 -8.473 1.00 0.00 C ATOM 185 CD GLN A 16 4.091 20.111 -7.157 1.00 0.00 C ATOM 186 OE1 GLN A 16 3.298 19.340 -6.616 1.00 0.00 O ATOM 187 NE2 GLN A 16 4.415 21.288 -6.635 1.00 0.00 N ATOM 0 H GLN A 16 4.027 16.142 -9.891 1.00 0.00 H new ATOM 0 HA GLN A 16 4.747 18.545 -11.141 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.179 18.600 -9.357 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.223 17.684 -8.287 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.829 19.658 -8.321 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.599 20.558 -9.187 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.077 21.895 -7.118 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.002 21.585 -5.751 1.00 0.00 H new ATOM 196 N ARG A 17 7.155 17.042 -9.579 1.00 0.00 N ATOM 197 CA ARG A 17 8.585 17.070 -9.294 1.00 0.00 C ATOM 198 C ARG A 17 9.393 16.690 -10.531 1.00 0.00 C ATOM 199 O ARG A 17 10.563 17.051 -10.656 1.00 0.00 O ATOM 200 CB ARG A 17 8.916 16.119 -8.143 1.00 0.00 C ATOM 201 CG ARG A 17 10.285 15.471 -8.264 1.00 0.00 C ATOM 202 CD ARG A 17 10.811 15.024 -6.909 1.00 0.00 C ATOM 203 NE ARG A 17 11.390 16.132 -6.153 1.00 0.00 N ATOM 204 CZ ARG A 17 12.241 15.970 -5.146 1.00 0.00 C ATOM 205 NH1 ARG A 17 12.611 14.751 -4.776 1.00 0.00 N ATOM 206 NH2 ARG A 17 12.724 17.028 -4.508 1.00 0.00 N ATOM 0 H ARG A 17 6.711 16.137 -9.421 1.00 0.00 H new ATOM 0 HA ARG A 17 8.853 18.086 -9.004 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.865 16.668 -7.203 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.156 15.338 -8.098 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.225 14.613 -8.933 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.984 16.177 -8.712 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.999 14.578 -6.334 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.564 14.249 -7.050 1.00 0.00 H new ATOM 0 HE ARG A 17 11.126 17.082 -6.413 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.242 13.936 -5.265 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.265 14.629 -4.002 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.442 17.967 -4.791 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.377 16.903 -3.735 1.00 0.00 H new ATOM 220 N ALA A 18 8.761 15.957 -11.443 1.00 0.00 N ATOM 221 CA ALA A 18 9.420 15.529 -12.670 1.00 0.00 C ATOM 222 C ALA A 18 9.212 16.545 -13.788 1.00 0.00 C ATOM 223 O ALA A 18 9.920 16.527 -14.796 1.00 0.00 O ATOM 224 CB ALA A 18 8.908 14.161 -13.095 1.00 0.00 C ATOM 0 H ALA A 18 7.793 15.648 -11.354 1.00 0.00 H new ATOM 0 HA ALA A 18 10.490 15.459 -12.473 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.409 13.854 -14.013 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.114 13.435 -12.309 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.833 14.213 -13.268 1.00 0.00 H new ATOM 230 N ILE A 19 8.237 17.429 -13.605 1.00 0.00 N ATOM 231 CA ILE A 19 7.937 18.452 -14.598 1.00 0.00 C ATOM 232 C ILE A 19 8.748 19.718 -14.345 1.00 0.00 C ATOM 233 O ILE A 19 9.337 20.286 -15.266 1.00 0.00 O ATOM 234 CB ILE A 19 6.439 18.808 -14.605 1.00 0.00 C ATOM 235 CG1 ILE A 19 5.606 17.596 -15.025 1.00 0.00 C ATOM 236 CG2 ILE A 19 6.178 19.984 -15.534 1.00 0.00 C ATOM 237 CD1 ILE A 19 4.140 17.717 -14.671 1.00 0.00 C ATOM 0 H ILE A 19 7.641 17.457 -12.778 1.00 0.00 H new ATOM 0 HA ILE A 19 8.208 18.038 -15.569 1.00 0.00 H new ATOM 0 HB ILE A 19 6.145 19.095 -13.596 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.701 17.456 -16.102 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.013 16.703 -14.550 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.115 20.223 -15.528 1.00 0.00 H new ATOM 0 HG22 ILE A 19 6.747 20.849 -15.194 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.485 19.723 -16.547 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.611 16.822 -14.999 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.034 17.826 -13.592 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.717 18.590 -15.167 1.00 0.00 H new ATOM 249 N HIS A 20 8.776 20.156 -13.090 1.00 0.00 N ATOM 250 CA HIS A 20 9.518 21.355 -12.715 1.00 0.00 C ATOM 251 C HIS A 20 11.014 21.067 -12.643 1.00 0.00 C ATOM 252 O HIS A 20 11.826 21.984 -12.516 1.00 0.00 O ATOM 253 CB HIS A 20 9.023 21.886 -11.369 1.00 0.00 C ATOM 254 CG HIS A 20 9.736 21.293 -10.193 1.00 0.00 C ATOM 255 ND1 HIS A 20 10.137 22.037 -9.103 1.00 0.00 N ATOM 256 CD2 HIS A 20 10.119 20.020 -9.939 1.00 0.00 C ATOM 257 CE1 HIS A 20 10.737 21.247 -8.231 1.00 0.00 C ATOM 258 NE2 HIS A 20 10.738 20.018 -8.713 1.00 0.00 N ATOM 0 H HIS A 20 8.294 19.699 -12.316 1.00 0.00 H new ATOM 0 HA HIS A 20 9.348 22.112 -13.480 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.144 22.969 -11.348 1.00 0.00 H new ATOM 0 HB3 HIS A 20 7.956 21.682 -11.277 1.00 0.00 H new ATOM 0 HD2 HIS A 20 9.966 19.165 -10.581 1.00 0.00 H new ATOM 0 HE1 HIS A 20 11.156 21.554 -7.284 1.00 0.00 H new ATOM 0 HE2 HIS A 20 11.134 19.200 -8.250 1.00 0.00 H new ATOM 266 N GLU A 21 11.372 19.790 -12.724 1.00 0.00 N ATOM 267 CA GLU A 21 12.771 19.383 -12.667 1.00 0.00 C ATOM 268 C GLU A 21 13.383 19.341 -14.064 1.00 0.00 C ATOM 269 O GLU A 21 14.413 19.965 -14.320 1.00 0.00 O ATOM 270 CB GLU A 21 12.899 18.011 -12.000 1.00 0.00 C ATOM 271 CG GLU A 21 14.137 17.241 -12.427 1.00 0.00 C ATOM 272 CD GLU A 21 15.397 17.736 -11.744 1.00 0.00 C ATOM 273 OE1 GLU A 21 15.464 17.666 -10.499 1.00 0.00 O ATOM 274 OE2 GLU A 21 16.316 18.195 -12.455 1.00 0.00 O ATOM 0 H GLU A 21 10.713 19.019 -12.829 1.00 0.00 H new ATOM 0 HA GLU A 21 13.313 20.119 -12.074 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.918 18.143 -10.918 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.014 17.419 -12.233 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.998 16.184 -12.202 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.257 17.324 -13.507 1.00 0.00 H new ATOM 281 N ARG A 22 12.743 18.602 -14.963 1.00 0.00 N ATOM 282 CA ARG A 22 13.225 18.477 -16.333 1.00 0.00 C ATOM 283 C ARG A 22 12.433 19.382 -17.272 1.00 0.00 C ATOM 284 O ARG A 22 12.941 20.396 -17.747 1.00 0.00 O ATOM 285 CB ARG A 22 13.124 17.024 -16.801 1.00 0.00 C ATOM 286 CG ARG A 22 13.793 16.033 -15.863 1.00 0.00 C ATOM 287 CD ARG A 22 13.541 14.598 -16.296 1.00 0.00 C ATOM 288 NE ARG A 22 14.406 14.200 -17.404 1.00 0.00 N ATOM 289 CZ ARG A 22 15.713 13.999 -17.279 1.00 0.00 C ATOM 290 NH1 ARG A 22 16.303 14.158 -16.102 1.00 0.00 N ATOM 291 NH2 ARG A 22 16.434 13.639 -18.334 1.00 0.00 N ATOM 0 H ARG A 22 11.889 18.080 -14.767 1.00 0.00 H new ATOM 0 HA ARG A 22 14.270 18.786 -16.354 1.00 0.00 H new ATOM 0 HB2 ARG A 22 12.072 16.758 -16.907 1.00 0.00 H new ATOM 0 HB3 ARG A 22 13.576 16.937 -17.789 1.00 0.00 H new ATOM 0 HG2 ARG A 22 14.866 16.223 -15.837 1.00 0.00 H new ATOM 0 HG3 ARG A 22 13.418 16.180 -14.850 1.00 0.00 H new ATOM 0 HD2 ARG A 22 13.705 13.930 -15.450 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.498 14.487 -16.592 1.00 0.00 H new ATOM 0 HE ARG A 22 13.983 14.069 -18.323 1.00 0.00 H new ATOM 0 HH11 ARG A 22 15.753 14.435 -15.289 1.00 0.00 H new ATOM 0 HH12 ARG A 22 17.307 14.003 -16.010 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.984 13.517 -19.241 1.00 0.00 H new ATOM 0 HH22 ARG A 22 17.438 13.485 -18.237 1.00 0.00 H new ATOM 305 N GLY A 23 11.186 19.006 -17.536 1.00 0.00 N ATOM 306 CA GLY A 23 10.344 19.793 -18.418 1.00 0.00 C ATOM 307 C GLY A 23 8.919 19.281 -18.471 1.00 0.00 C ATOM 308 O GLY A 23 7.970 20.057 -18.371 1.00 0.00 O ATOM 0 H GLY A 23 10.743 18.170 -17.155 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.342 20.830 -18.082 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.767 19.784 -19.422 1.00 0.00 H new ATOM 312 N GLU A 24 8.769 17.970 -18.629 1.00 0.00 N ATOM 313 CA GLU A 24 7.448 17.355 -18.698 1.00 0.00 C ATOM 314 C GLU A 24 7.498 15.903 -18.232 1.00 0.00 C ATOM 315 O GLU A 24 8.558 15.277 -18.232 1.00 0.00 O ATOM 316 CB GLU A 24 6.901 17.426 -20.125 1.00 0.00 C ATOM 317 CG GLU A 24 7.620 16.507 -21.098 1.00 0.00 C ATOM 318 CD GLU A 24 8.957 17.064 -21.548 1.00 0.00 C ATOM 319 OE1 GLU A 24 9.076 18.302 -21.661 1.00 0.00 O ATOM 320 OE2 GLU A 24 9.883 16.262 -21.787 1.00 0.00 O ATOM 0 H GLU A 24 9.545 17.313 -18.712 1.00 0.00 H new ATOM 0 HA GLU A 24 6.784 17.908 -18.034 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.841 17.171 -20.112 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.977 18.452 -20.484 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.775 15.536 -20.628 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.988 16.341 -21.970 1.00 0.00 H new ATOM 327 N ALA A 25 6.345 15.375 -17.835 1.00 0.00 N ATOM 328 CA ALA A 25 6.257 13.997 -17.368 1.00 0.00 C ATOM 329 C ALA A 25 5.250 13.202 -18.191 1.00 0.00 C ATOM 330 O ALA A 25 4.094 13.045 -17.796 1.00 0.00 O ATOM 331 CB ALA A 25 5.881 13.962 -15.894 1.00 0.00 C ATOM 0 H ALA A 25 5.459 15.881 -17.827 1.00 0.00 H new ATOM 0 HA ALA A 25 7.236 13.534 -17.493 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.819 12.927 -15.559 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.639 14.487 -15.313 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.915 14.447 -15.753 1.00 0.00 H new ATOM 337 N VAL A 26 5.694 12.701 -19.340 1.00 0.00 N ATOM 338 CA VAL A 26 4.832 11.922 -20.219 1.00 0.00 C ATOM 339 C VAL A 26 4.302 10.680 -19.510 1.00 0.00 C ATOM 340 O VAL A 26 4.586 10.455 -18.334 1.00 0.00 O ATOM 341 CB VAL A 26 5.575 11.491 -21.498 1.00 0.00 C ATOM 342 CG1 VAL A 26 6.119 12.707 -22.234 1.00 0.00 C ATOM 343 CG2 VAL A 26 6.694 10.517 -21.161 1.00 0.00 C ATOM 0 H VAL A 26 6.647 12.822 -19.683 1.00 0.00 H new ATOM 0 HA VAL A 26 3.996 12.566 -20.493 1.00 0.00 H new ATOM 0 HB VAL A 26 4.869 10.984 -22.155 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.641 12.384 -23.135 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.295 13.365 -22.509 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.812 13.244 -21.586 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.208 10.223 -22.076 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.402 10.996 -20.485 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.275 9.633 -20.680 1.00 0.00 H new ATOM 353 N CYS A 27 3.530 9.876 -20.234 1.00 0.00 N ATOM 354 CA CYS A 27 2.960 8.656 -19.676 1.00 0.00 C ATOM 355 C CYS A 27 4.059 7.693 -19.237 1.00 0.00 C ATOM 356 O CYS A 27 4.862 7.219 -20.042 1.00 0.00 O ATOM 357 CB CYS A 27 2.052 7.977 -20.703 1.00 0.00 C ATOM 358 SG CYS A 27 1.123 6.553 -20.047 1.00 0.00 S ATOM 0 H CYS A 27 3.285 10.048 -21.209 1.00 0.00 H new ATOM 0 HA CYS A 27 2.369 8.928 -18.801 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.345 8.712 -21.089 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.659 7.645 -21.545 1.00 0.00 H new ATOM 0 HG CYS A 27 1.033 5.634 -20.963 1.00 0.00 H new ATOM 363 N PRO A 28 4.098 7.396 -17.929 1.00 0.00 N ATOM 364 CA PRO A 28 5.093 6.487 -17.353 1.00 0.00 C ATOM 365 C PRO A 28 4.869 5.039 -17.776 1.00 0.00 C ATOM 366 O PRO A 28 5.632 4.147 -17.404 1.00 0.00 O ATOM 367 CB PRO A 28 4.885 6.642 -15.845 1.00 0.00 C ATOM 368 CG PRO A 28 3.469 7.084 -15.702 1.00 0.00 C ATOM 369 CD PRO A 28 3.173 7.925 -16.913 1.00 0.00 C ATOM 0 HA PRO A 28 6.103 6.727 -17.684 1.00 0.00 H new ATOM 0 HB2 PRO A 28 5.061 5.702 -15.322 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.573 7.375 -15.424 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.797 6.228 -15.648 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.330 7.657 -14.785 1.00 0.00 H new ATOM 0 HD2 PRO A 28 2.133 7.827 -17.226 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.350 8.983 -16.721 1.00 0.00 H new ATOM 377 N THR A 29 3.816 4.811 -18.556 1.00 0.00 N ATOM 378 CA THR A 29 3.491 3.471 -19.028 1.00 0.00 C ATOM 379 C THR A 29 3.998 3.251 -20.448 1.00 0.00 C ATOM 380 O THR A 29 4.817 2.365 -20.696 1.00 0.00 O ATOM 381 CB THR A 29 1.972 3.216 -18.992 1.00 0.00 C ATOM 382 OG1 THR A 29 1.469 3.443 -17.671 1.00 0.00 O ATOM 383 CG2 THR A 29 1.652 1.794 -19.425 1.00 0.00 C ATOM 0 H THR A 29 3.174 5.537 -18.874 1.00 0.00 H new ATOM 0 HA THR A 29 3.986 2.770 -18.356 1.00 0.00 H new ATOM 0 HB THR A 29 1.493 3.906 -19.686 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.498 3.572 -17.708 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.574 1.637 -19.392 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.011 1.634 -20.442 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.142 1.090 -18.752 1.00 0.00 H new ATOM 391 N CYS A 30 3.507 4.062 -21.379 1.00 0.00 N ATOM 392 CA CYS A 30 3.911 3.956 -22.776 1.00 0.00 C ATOM 393 C CYS A 30 4.584 5.243 -23.247 1.00 0.00 C ATOM 394 O CYS A 30 5.219 5.274 -24.300 1.00 0.00 O ATOM 395 CB CYS A 30 2.698 3.650 -23.658 1.00 0.00 C ATOM 396 SG CYS A 30 1.131 4.334 -23.029 1.00 0.00 S ATOM 0 H CYS A 30 2.829 4.800 -21.191 1.00 0.00 H new ATOM 0 HA CYS A 30 4.628 3.140 -22.860 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.880 4.045 -24.657 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.597 2.569 -23.756 1.00 0.00 H new ATOM 0 HG CYS A 30 0.797 3.718 -21.934 1.00 0.00 H new ATOM 401 N ASN A 31 4.440 6.302 -22.458 1.00 0.00 N ATOM 402 CA ASN A 31 5.033 7.592 -22.793 1.00 0.00 C ATOM 403 C ASN A 31 4.413 8.161 -24.066 1.00 0.00 C ATOM 404 O ASN A 31 5.112 8.712 -24.917 1.00 0.00 O ATOM 405 CB ASN A 31 6.546 7.450 -22.968 1.00 0.00 C ATOM 406 CG ASN A 31 7.135 6.384 -22.065 1.00 0.00 C ATOM 407 OD1 ASN A 31 7.575 5.333 -22.532 1.00 0.00 O ATOM 408 ND2 ASN A 31 7.146 6.650 -20.765 1.00 0.00 N ATOM 0 H ASN A 31 3.918 6.293 -21.582 1.00 0.00 H new ATOM 0 HA ASN A 31 4.832 8.281 -21.973 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.767 7.205 -24.007 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.025 8.406 -22.757 1.00 0.00 H new ATOM 0 HD21 ASN A 31 7.530 5.970 -20.109 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.771 7.534 -20.422 1.00 0.00 H new ATOM 415 N VAL A 32 3.097 8.024 -24.190 1.00 0.00 N ATOM 416 CA VAL A 32 2.382 8.525 -25.357 1.00 0.00 C ATOM 417 C VAL A 32 1.172 9.355 -24.946 1.00 0.00 C ATOM 418 O VAL A 32 0.053 8.847 -24.873 1.00 0.00 O ATOM 419 CB VAL A 32 1.916 7.374 -26.268 1.00 0.00 C ATOM 420 CG1 VAL A 32 3.111 6.662 -26.884 1.00 0.00 C ATOM 421 CG2 VAL A 32 1.048 6.398 -25.489 1.00 0.00 C ATOM 0 H VAL A 32 2.504 7.570 -23.496 1.00 0.00 H new ATOM 0 HA VAL A 32 3.080 9.154 -25.909 1.00 0.00 H new ATOM 0 HB VAL A 32 1.317 7.793 -27.077 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.762 5.852 -27.524 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.690 7.370 -27.477 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.739 6.253 -26.092 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.727 5.591 -26.147 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.621 5.984 -24.659 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.173 6.919 -25.101 1.00 0.00 H new ATOM 431 N VAL A 33 1.403 10.637 -24.678 1.00 0.00 N ATOM 432 CA VAL A 33 0.331 11.539 -24.275 1.00 0.00 C ATOM 433 C VAL A 33 0.606 12.963 -24.745 1.00 0.00 C ATOM 434 O VAL A 33 1.579 13.219 -25.454 1.00 0.00 O ATOM 435 CB VAL A 33 0.144 11.541 -22.747 1.00 0.00 C ATOM 436 CG1 VAL A 33 -0.894 10.509 -22.334 1.00 0.00 C ATOM 437 CG2 VAL A 33 1.470 11.285 -22.047 1.00 0.00 C ATOM 0 H VAL A 33 2.323 11.074 -24.733 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.583 11.175 -24.744 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.216 12.524 -22.445 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.012 10.525 -21.251 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.848 10.743 -22.807 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.567 9.518 -22.648 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.319 11.290 -20.968 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.862 10.315 -22.354 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.181 12.066 -22.317 1.00 0.00 H new ATOM 447 N THR A 34 -0.259 13.890 -24.343 1.00 0.00 N ATOM 448 CA THR A 34 -0.110 15.290 -24.723 1.00 0.00 C ATOM 449 C THR A 34 1.193 15.870 -24.184 1.00 0.00 C ATOM 450 O THR A 34 1.649 15.499 -23.103 1.00 0.00 O ATOM 451 CB THR A 34 -1.288 16.139 -24.209 1.00 0.00 C ATOM 452 OG1 THR A 34 -2.529 15.508 -24.543 1.00 0.00 O ATOM 453 CG2 THR A 34 -1.247 17.538 -24.807 1.00 0.00 C ATOM 0 H THR A 34 -1.069 13.696 -23.755 1.00 0.00 H new ATOM 0 HA THR A 34 -0.096 15.323 -25.812 1.00 0.00 H new ATOM 0 HB THR A 34 -1.203 16.221 -23.125 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.273 16.053 -24.211 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.088 18.120 -24.430 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.314 18.026 -24.527 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.310 17.471 -25.893 1.00 0.00 H new ATOM 461 N ARG A 35 1.788 16.783 -24.946 1.00 0.00 N ATOM 462 CA ARG A 35 3.039 17.414 -24.544 1.00 0.00 C ATOM 463 C ARG A 35 2.978 17.866 -23.088 1.00 0.00 C ATOM 464 O ARG A 35 3.941 17.710 -22.337 1.00 0.00 O ATOM 465 CB ARG A 35 3.345 18.609 -25.449 1.00 0.00 C ATOM 466 CG ARG A 35 3.485 18.242 -26.917 1.00 0.00 C ATOM 467 CD ARG A 35 3.493 19.479 -27.802 1.00 0.00 C ATOM 468 NE ARG A 35 2.195 20.146 -27.822 1.00 0.00 N ATOM 469 CZ ARG A 35 2.041 21.449 -28.031 1.00 0.00 C ATOM 470 NH1 ARG A 35 3.099 22.220 -28.237 1.00 0.00 N ATOM 471 NH2 ARG A 35 0.826 21.982 -28.035 1.00 0.00 N ATOM 0 H ARG A 35 1.424 17.101 -25.844 1.00 0.00 H new ATOM 0 HA ARG A 35 3.837 16.678 -24.643 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.550 19.347 -25.342 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.267 19.082 -25.112 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.407 17.680 -27.066 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.663 17.589 -27.210 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.253 20.175 -27.446 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.771 19.196 -28.817 1.00 0.00 H new ATOM 0 HE ARG A 35 1.360 19.581 -27.667 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.034 21.813 -28.235 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.978 23.220 -28.397 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.009 21.391 -27.878 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.708 22.982 -28.195 1.00 0.00 H new ATOM 485 N LYS A 36 1.839 18.428 -22.697 1.00 0.00 N ATOM 486 CA LYS A 36 1.650 18.903 -21.331 1.00 0.00 C ATOM 487 C LYS A 36 1.598 17.736 -20.351 1.00 0.00 C ATOM 488 O LYS A 36 1.973 17.872 -19.186 1.00 0.00 O ATOM 489 CB LYS A 36 0.364 19.726 -21.229 1.00 0.00 C ATOM 490 CG LYS A 36 0.550 21.192 -21.583 1.00 0.00 C ATOM 491 CD LYS A 36 0.609 21.399 -23.087 1.00 0.00 C ATOM 492 CE LYS A 36 -0.776 21.343 -23.713 1.00 0.00 C ATOM 493 NZ LYS A 36 -1.478 22.653 -23.624 1.00 0.00 N ATOM 0 H LYS A 36 1.033 18.566 -23.307 1.00 0.00 H new ATOM 0 HA LYS A 36 2.500 19.534 -21.072 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.387 19.294 -21.890 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.025 19.653 -20.213 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.271 21.775 -21.167 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.468 21.564 -21.127 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.069 22.363 -23.305 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.243 20.635 -23.536 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.690 21.047 -24.759 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.370 20.578 -23.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.418 22.573 -24.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.583 22.924 -22.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.924 23.378 -24.123 1.00 0.00 H new ATOM 507 N THR A 37 1.133 16.586 -20.831 1.00 0.00 N ATOM 508 CA THR A 37 1.032 15.395 -19.997 1.00 0.00 C ATOM 509 C THR A 37 0.333 15.704 -18.678 1.00 0.00 C ATOM 510 O THR A 37 0.601 15.068 -17.658 1.00 0.00 O ATOM 511 CB THR A 37 2.421 14.797 -19.702 1.00 0.00 C ATOM 512 OG1 THR A 37 3.046 15.516 -18.633 1.00 0.00 O ATOM 513 CG2 THR A 37 3.305 14.847 -20.939 1.00 0.00 C ATOM 0 H THR A 37 0.821 16.455 -21.793 1.00 0.00 H new ATOM 0 HA THR A 37 0.442 14.668 -20.555 1.00 0.00 H new ATOM 0 HB THR A 37 2.290 13.755 -19.411 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.023 16.476 -18.827 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.280 14.419 -20.707 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.840 14.275 -21.742 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.429 15.882 -21.256 1.00 0.00 H new ATOM 521 N LEU A 38 -0.563 16.684 -18.705 1.00 0.00 N ATOM 522 CA LEU A 38 -1.302 17.077 -17.510 1.00 0.00 C ATOM 523 C LEU A 38 -2.791 16.788 -17.670 1.00 0.00 C ATOM 524 O LEU A 38 -3.393 16.102 -16.844 1.00 0.00 O ATOM 525 CB LEU A 38 -1.088 18.564 -17.220 1.00 0.00 C ATOM 526 CG LEU A 38 -0.102 18.895 -16.099 1.00 0.00 C ATOM 527 CD1 LEU A 38 -0.529 18.229 -14.800 1.00 0.00 C ATOM 528 CD2 LEU A 38 1.306 18.465 -16.483 1.00 0.00 C ATOM 0 H LEU A 38 -0.795 17.221 -19.540 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.925 16.491 -16.671 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.742 19.046 -18.135 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.052 19.007 -16.971 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.102 19.974 -15.948 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.184 18.475 -14.013 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.519 18.585 -14.517 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.558 17.148 -14.938 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.994 18.708 -15.674 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.322 17.390 -16.662 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.612 18.988 -17.389 1.00 0.00 H new ATOM 540 N VAL A 39 -3.379 17.314 -18.740 1.00 0.00 N ATOM 541 CA VAL A 39 -4.797 17.109 -19.011 1.00 0.00 C ATOM 542 C VAL A 39 -5.027 15.820 -19.792 1.00 0.00 C ATOM 543 O VAL A 39 -6.062 15.171 -19.648 1.00 0.00 O ATOM 544 CB VAL A 39 -5.392 18.289 -19.803 1.00 0.00 C ATOM 545 CG1 VAL A 39 -5.292 19.576 -19.000 1.00 0.00 C ATOM 546 CG2 VAL A 39 -4.696 18.433 -21.148 1.00 0.00 C ATOM 0 H VAL A 39 -2.895 17.885 -19.433 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.297 17.039 -18.045 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.447 18.086 -19.986 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.717 20.398 -19.576 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.842 19.465 -18.065 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.245 19.789 -18.782 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.129 19.271 -21.694 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.633 18.613 -20.990 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.827 17.518 -21.725 1.00 0.00 H new ATOM 556 N GLY A 40 -4.052 15.453 -20.619 1.00 0.00 N ATOM 557 CA GLY A 40 -4.168 14.242 -21.410 1.00 0.00 C ATOM 558 C GLY A 40 -3.540 13.043 -20.729 1.00 0.00 C ATOM 559 O GLY A 40 -3.865 11.898 -21.046 1.00 0.00 O ATOM 0 H GLY A 40 -3.185 15.973 -20.755 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.221 14.037 -21.602 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.692 14.397 -22.378 1.00 0.00 H new ATOM 563 N LEU A 41 -2.636 13.303 -19.791 1.00 0.00 N ATOM 564 CA LEU A 41 -1.958 12.236 -19.063 1.00 0.00 C ATOM 565 C LEU A 41 -2.914 11.545 -18.096 1.00 0.00 C ATOM 566 O LEU A 41 -2.694 10.400 -17.700 1.00 0.00 O ATOM 567 CB LEU A 41 -0.757 12.795 -18.299 1.00 0.00 C ATOM 568 CG LEU A 41 -0.030 11.813 -17.380 1.00 0.00 C ATOM 569 CD1 LEU A 41 0.634 10.713 -18.193 1.00 0.00 C ATOM 570 CD2 LEU A 41 0.998 12.542 -16.527 1.00 0.00 C ATOM 0 H LEU A 41 -2.355 14.244 -19.516 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.608 11.501 -19.788 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.040 13.183 -19.023 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.095 13.641 -17.700 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.764 11.354 -16.717 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.147 10.024 -17.522 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.124 10.172 -18.760 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.356 11.154 -18.881 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.506 11.827 -15.879 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.728 13.028 -17.174 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.497 13.293 -15.916 1.00 0.00 H new ATOM 582 N LYS A 42 -3.978 12.247 -17.720 1.00 0.00 N ATOM 583 CA LYS A 42 -4.970 11.702 -16.802 1.00 0.00 C ATOM 584 C LYS A 42 -6.071 10.970 -17.563 1.00 0.00 C ATOM 585 O LYS A 42 -6.373 9.811 -17.278 1.00 0.00 O ATOM 586 CB LYS A 42 -5.579 12.820 -15.953 1.00 0.00 C ATOM 587 CG LYS A 42 -4.563 13.552 -15.093 1.00 0.00 C ATOM 588 CD LYS A 42 -5.114 14.873 -14.583 1.00 0.00 C ATOM 589 CE LYS A 42 -5.898 14.689 -13.293 1.00 0.00 C ATOM 590 NZ LYS A 42 -6.268 15.994 -12.677 1.00 0.00 N ATOM 0 H LYS A 42 -4.175 13.196 -18.038 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.469 10.989 -16.147 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.070 13.537 -16.610 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.350 12.397 -15.309 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.280 12.924 -14.248 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.658 13.734 -15.672 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.293 15.570 -14.415 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.759 15.317 -15.342 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.802 14.114 -13.496 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.304 14.110 -12.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.801 15.825 -11.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.405 16.532 -12.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.856 16.537 -13.341 1.00 0.00 H new ATOM 604 N LYS A 43 -6.668 11.654 -18.534 1.00 0.00 N ATOM 605 CA LYS A 43 -7.734 11.069 -19.338 1.00 0.00 C ATOM 606 C LYS A 43 -7.211 9.902 -20.169 1.00 0.00 C ATOM 607 O LYS A 43 -7.988 9.148 -20.756 1.00 0.00 O ATOM 608 CB LYS A 43 -8.347 12.129 -20.258 1.00 0.00 C ATOM 609 CG LYS A 43 -8.754 13.400 -19.534 1.00 0.00 C ATOM 610 CD LYS A 43 -9.653 14.270 -20.396 1.00 0.00 C ATOM 611 CE LYS A 43 -8.843 15.217 -21.268 1.00 0.00 C ATOM 612 NZ LYS A 43 -9.693 15.903 -22.281 1.00 0.00 N ATOM 0 H LYS A 43 -6.431 12.614 -18.783 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.502 10.695 -18.661 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.629 12.380 -21.039 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.222 11.707 -20.753 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.272 13.143 -18.610 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.863 13.962 -19.254 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.277 13.637 -21.027 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.324 14.845 -19.758 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.355 15.962 -20.639 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.054 14.660 -21.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.104 16.539 -22.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.139 15.194 -22.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.431 16.455 -21.799 1.00 0.00 H new ATOM 626 N HIS A 44 -5.890 9.757 -20.212 1.00 0.00 N ATOM 627 CA HIS A 44 -5.264 8.679 -20.969 1.00 0.00 C ATOM 628 C HIS A 44 -4.979 7.479 -20.071 1.00 0.00 C ATOM 629 O HIS A 44 -5.363 6.353 -20.384 1.00 0.00 O ATOM 630 CB HIS A 44 -3.967 9.168 -21.614 1.00 0.00 C ATOM 631 CG HIS A 44 -3.081 8.058 -22.092 1.00 0.00 C ATOM 632 ND1 HIS A 44 -3.005 7.672 -23.413 1.00 0.00 N ATOM 633 CD2 HIS A 44 -2.229 7.253 -21.416 1.00 0.00 C ATOM 634 CE1 HIS A 44 -2.145 6.675 -23.529 1.00 0.00 C ATOM 635 NE2 HIS A 44 -1.660 6.402 -22.332 1.00 0.00 N ATOM 0 H HIS A 44 -5.233 10.372 -19.732 1.00 0.00 H new ATOM 0 HA HIS A 44 -5.956 8.368 -21.752 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -4.211 9.815 -22.456 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.419 9.775 -20.894 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -2.033 7.275 -20.354 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -1.884 6.170 -24.447 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -0.974 5.677 -22.121 1.00 0.00 H new ATOM 643 N MET A 45 -4.303 7.729 -18.955 1.00 0.00 N ATOM 644 CA MET A 45 -3.967 6.668 -18.012 1.00 0.00 C ATOM 645 C MET A 45 -5.203 5.850 -17.651 1.00 0.00 C ATOM 646 O MET A 45 -5.093 4.712 -17.198 1.00 0.00 O ATOM 647 CB MET A 45 -3.345 7.260 -16.745 1.00 0.00 C ATOM 648 CG MET A 45 -4.358 7.917 -15.821 1.00 0.00 C ATOM 649 SD MET A 45 -3.731 8.131 -14.144 1.00 0.00 S ATOM 650 CE MET A 45 -2.182 8.971 -14.466 1.00 0.00 C ATOM 0 H MET A 45 -3.977 8.656 -18.681 1.00 0.00 H new ATOM 0 HA MET A 45 -3.243 6.008 -18.489 1.00 0.00 H new ATOM 0 HB2 MET A 45 -2.828 6.470 -16.201 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.593 7.996 -17.029 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.638 8.889 -16.227 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.264 7.311 -15.792 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.642 9.110 -13.530 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.578 8.372 -15.148 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.382 9.943 -14.917 1.00 0.00 H new ATOM 660 N GLU A 46 -6.377 6.439 -17.854 1.00 0.00 N ATOM 661 CA GLU A 46 -7.633 5.764 -17.548 1.00 0.00 C ATOM 662 C GLU A 46 -7.679 4.382 -18.193 1.00 0.00 C ATOM 663 O GLU A 46 -7.828 3.370 -17.508 1.00 0.00 O ATOM 664 CB GLU A 46 -8.819 6.603 -18.029 1.00 0.00 C ATOM 665 CG GLU A 46 -8.865 7.996 -17.424 1.00 0.00 C ATOM 666 CD GLU A 46 -8.629 7.988 -15.926 1.00 0.00 C ATOM 667 OE1 GLU A 46 -7.512 7.623 -15.503 1.00 0.00 O ATOM 668 OE2 GLU A 46 -9.561 8.348 -15.176 1.00 0.00 O ATOM 0 H GLU A 46 -6.485 7.382 -18.229 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.697 5.644 -16.467 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.776 6.689 -19.115 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.745 6.080 -17.787 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.112 8.622 -17.904 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.835 8.447 -17.633 1.00 0.00 H new ATOM 675 N VAL A 47 -7.549 4.348 -19.516 1.00 0.00 N ATOM 676 CA VAL A 47 -7.575 3.091 -20.254 1.00 0.00 C ATOM 677 C VAL A 47 -6.169 2.529 -20.431 1.00 0.00 C ATOM 678 O VAL A 47 -5.989 1.325 -20.616 1.00 0.00 O ATOM 679 CB VAL A 47 -8.224 3.268 -21.640 1.00 0.00 C ATOM 680 CG1 VAL A 47 -9.648 3.785 -21.501 1.00 0.00 C ATOM 681 CG2 VAL A 47 -7.390 4.202 -22.503 1.00 0.00 C ATOM 0 H VAL A 47 -7.425 5.176 -20.098 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.171 2.392 -19.668 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.263 2.296 -22.131 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.090 3.904 -22.490 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.238 3.074 -20.923 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.637 4.748 -20.990 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.863 4.316 -23.478 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.317 5.176 -22.019 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.391 3.785 -22.631 1.00 0.00 H new ATOM 691 N CYS A 48 -5.175 3.408 -20.374 1.00 0.00 N ATOM 692 CA CYS A 48 -3.783 3.001 -20.528 1.00 0.00 C ATOM 693 C CYS A 48 -3.555 1.611 -19.942 1.00 0.00 C ATOM 694 O CYS A 48 -2.889 0.773 -20.548 1.00 0.00 O ATOM 695 CB CYS A 48 -2.856 4.011 -19.849 1.00 0.00 C ATOM 696 SG CYS A 48 -1.084 3.622 -20.013 1.00 0.00 S ATOM 0 H CYS A 48 -5.307 4.408 -20.222 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.556 2.969 -21.594 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.041 4.999 -20.272 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.109 4.065 -18.790 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.396 4.725 -20.016 1.00 0.00 H new ATOM 701 N GLN A 49 -4.114 1.374 -18.759 1.00 0.00 N ATOM 702 CA GLN A 49 -3.971 0.086 -18.091 1.00 0.00 C ATOM 703 C GLN A 49 -4.333 -1.058 -19.033 1.00 0.00 C ATOM 704 O GLN A 49 -3.540 -1.975 -19.246 1.00 0.00 O ATOM 705 CB GLN A 49 -4.855 0.034 -16.843 1.00 0.00 C ATOM 706 CG GLN A 49 -4.215 0.666 -15.618 1.00 0.00 C ATOM 707 CD GLN A 49 -3.072 -0.162 -15.064 1.00 0.00 C ATOM 708 OE1 GLN A 49 -2.506 -1.004 -15.761 1.00 0.00 O ATOM 709 NE2 GLN A 49 -2.726 0.075 -13.804 1.00 0.00 N ATOM 0 H GLN A 49 -4.670 2.057 -18.244 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.928 -0.028 -17.794 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.797 0.541 -17.053 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.096 -1.006 -16.621 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.847 1.659 -15.876 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.972 0.798 -14.844 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.223 0.783 -13.263 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.963 -0.451 -13.377 1.00 0.00 H new ATOM 718 N LYS A 50 -5.536 -0.998 -19.594 1.00 0.00 N ATOM 719 CA LYS A 50 -6.003 -2.029 -20.513 1.00 0.00 C ATOM 720 C LYS A 50 -4.917 -2.392 -21.521 1.00 0.00 C ATOM 721 O LYS A 50 -4.762 -3.558 -21.888 1.00 0.00 O ATOM 722 CB LYS A 50 -7.258 -1.553 -21.249 1.00 0.00 C ATOM 723 CG LYS A 50 -6.962 -0.841 -22.558 1.00 0.00 C ATOM 724 CD LYS A 50 -8.140 0.006 -23.011 1.00 0.00 C ATOM 725 CE LYS A 50 -9.088 -0.787 -23.898 1.00 0.00 C ATOM 726 NZ LYS A 50 -9.991 -1.663 -23.101 1.00 0.00 N ATOM 0 H LYS A 50 -6.205 -0.246 -19.428 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.245 -2.918 -19.930 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.899 -2.411 -21.449 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.818 -0.881 -20.598 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.083 -0.208 -22.438 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.724 -1.576 -23.327 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.680 0.376 -22.139 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.775 0.878 -23.554 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.685 -0.100 -24.497 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.511 -1.397 -24.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.860 -1.850 -23.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.510 -2.562 -22.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.235 -1.189 -22.208 1.00 0.00 H new ATOM 740 N LEU A 51 -4.167 -1.389 -21.963 1.00 0.00 N ATOM 741 CA LEU A 51 -3.094 -1.603 -22.927 1.00 0.00 C ATOM 742 C LEU A 51 -1.906 -2.301 -22.273 1.00 0.00 C ATOM 743 O LEU A 51 -1.514 -3.394 -22.683 1.00 0.00 O ATOM 744 CB LEU A 51 -2.648 -0.270 -23.529 1.00 0.00 C ATOM 745 CG LEU A 51 -3.384 0.175 -24.794 1.00 0.00 C ATOM 746 CD1 LEU A 51 -3.165 1.659 -25.045 1.00 0.00 C ATOM 747 CD2 LEU A 51 -2.926 -0.643 -25.993 1.00 0.00 C ATOM 0 H LEU A 51 -4.282 -0.419 -21.669 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.476 -2.243 -23.722 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.766 0.505 -22.772 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.584 -0.334 -23.756 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.451 0.005 -24.649 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.696 1.957 -25.949 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.542 2.231 -24.197 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.100 1.854 -25.169 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.460 -0.313 -26.884 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.855 -0.505 -26.140 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.135 -1.698 -25.815 1.00 0.00 H new ATOM 759 N GLN A 52 -1.339 -1.664 -21.254 1.00 0.00 N ATOM 760 CA GLN A 52 -0.196 -2.225 -20.543 1.00 0.00 C ATOM 761 C GLN A 52 -0.429 -3.696 -20.214 1.00 0.00 C ATOM 762 O GLN A 52 0.471 -4.523 -20.357 1.00 0.00 O ATOM 763 CB GLN A 52 0.067 -1.438 -19.258 1.00 0.00 C ATOM 764 CG GLN A 52 0.958 -2.171 -18.268 1.00 0.00 C ATOM 765 CD GLN A 52 1.313 -1.323 -17.062 1.00 0.00 C ATOM 766 OE1 GLN A 52 2.158 -0.431 -17.143 1.00 0.00 O ATOM 767 NE2 GLN A 52 0.667 -1.596 -15.935 1.00 0.00 N ATOM 0 H GLN A 52 -1.652 -0.759 -20.902 1.00 0.00 H new ATOM 0 HA GLN A 52 0.677 -2.151 -21.192 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.529 -0.485 -19.514 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.886 -1.212 -18.779 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.454 -3.078 -17.934 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.874 -2.482 -18.771 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.026 -2.344 -15.913 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.863 -1.057 -15.091 1.00 0.00 H new ATOM 776 N ASP A 53 -1.641 -4.014 -19.773 1.00 0.00 N ATOM 777 CA ASP A 53 -1.992 -5.386 -19.424 1.00 0.00 C ATOM 778 C ASP A 53 -2.161 -6.238 -20.678 1.00 0.00 C ATOM 779 O ASP A 53 -1.665 -7.363 -20.747 1.00 0.00 O ATOM 780 CB ASP A 53 -3.278 -5.411 -18.598 1.00 0.00 C ATOM 781 CG ASP A 53 -4.062 -6.695 -18.786 1.00 0.00 C ATOM 782 OD1 ASP A 53 -3.442 -7.779 -18.752 1.00 0.00 O ATOM 783 OD2 ASP A 53 -5.295 -6.616 -18.965 1.00 0.00 O ATOM 0 H ASP A 53 -2.397 -3.341 -19.649 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.180 -5.804 -18.829 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.031 -5.291 -17.543 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.903 -4.563 -18.878 1.00 0.00 H new ATOM 788 N ALA A 54 -2.865 -5.696 -21.666 1.00 0.00 N ATOM 789 CA ALA A 54 -3.099 -6.407 -22.917 1.00 0.00 C ATOM 790 C ALA A 54 -1.784 -6.844 -23.553 1.00 0.00 C ATOM 791 O ALA A 54 -1.532 -8.038 -23.723 1.00 0.00 O ATOM 792 CB ALA A 54 -3.889 -5.534 -23.880 1.00 0.00 C ATOM 0 H ALA A 54 -3.283 -4.767 -21.624 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.680 -7.302 -22.695 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.057 -6.077 -24.810 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -4.849 -5.275 -23.433 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.329 -4.623 -24.088 1.00 0.00 H new ATOM 798 N LEU A 55 -0.950 -5.872 -23.905 1.00 0.00 N ATOM 799 CA LEU A 55 0.340 -6.157 -24.524 1.00 0.00 C ATOM 800 C LEU A 55 1.158 -7.113 -23.662 1.00 0.00 C ATOM 801 O LEU A 55 1.985 -7.871 -24.170 1.00 0.00 O ATOM 802 CB LEU A 55 1.118 -4.860 -24.747 1.00 0.00 C ATOM 803 CG LEU A 55 0.877 -4.153 -26.081 1.00 0.00 C ATOM 804 CD1 LEU A 55 1.567 -2.798 -26.100 1.00 0.00 C ATOM 805 CD2 LEU A 55 1.362 -5.016 -27.237 1.00 0.00 C ATOM 0 H LEU A 55 -1.144 -4.879 -23.772 1.00 0.00 H new ATOM 0 HA LEU A 55 0.156 -6.633 -25.487 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.870 -4.168 -23.942 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.182 -5.079 -24.662 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.195 -3.993 -26.197 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.384 -2.310 -27.057 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.173 -2.178 -25.295 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.640 -2.934 -25.961 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.183 -4.497 -28.179 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.429 -5.207 -27.126 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.822 -5.963 -27.236 1.00 0.00 H new ATOM 817 N LYS A 56 0.921 -7.074 -22.355 1.00 0.00 N ATOM 818 CA LYS A 56 1.633 -7.938 -21.422 1.00 0.00 C ATOM 819 C LYS A 56 1.069 -9.355 -21.454 1.00 0.00 C ATOM 820 O LYS A 56 -0.142 -9.556 -21.352 1.00 0.00 O ATOM 821 CB LYS A 56 1.542 -7.375 -20.002 1.00 0.00 C ATOM 822 CG LYS A 56 2.439 -8.088 -19.005 1.00 0.00 C ATOM 823 CD LYS A 56 2.838 -7.173 -17.860 1.00 0.00 C ATOM 824 CE LYS A 56 3.977 -6.246 -18.257 1.00 0.00 C ATOM 825 NZ LYS A 56 4.158 -5.139 -17.278 1.00 0.00 N ATOM 0 H LYS A 56 0.240 -6.452 -21.918 1.00 0.00 H new ATOM 0 HA LYS A 56 2.679 -7.974 -21.726 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.805 -6.317 -20.022 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.509 -7.440 -19.660 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.922 -8.963 -18.610 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.334 -8.449 -19.512 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.977 -6.581 -17.549 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.139 -7.773 -17.001 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.901 -6.818 -18.333 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.778 -5.829 -19.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.061 -4.225 -17.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.436 -5.213 -16.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.104 -5.205 -16.851 1.00 0.00 H new ATOM 839 N CYS A 57 1.954 -10.336 -21.596 1.00 0.00 N ATOM 840 CA CYS A 57 1.546 -11.735 -21.642 1.00 0.00 C ATOM 841 C CYS A 57 1.161 -12.235 -20.252 1.00 0.00 C ATOM 842 O CYS A 57 1.196 -11.481 -19.280 1.00 0.00 O ATOM 843 CB CYS A 57 2.672 -12.599 -22.212 1.00 0.00 C ATOM 844 SG CYS A 57 2.096 -14.079 -23.104 1.00 0.00 S ATOM 0 H CYS A 57 2.960 -10.188 -21.681 1.00 0.00 H new ATOM 0 HA CYS A 57 0.674 -11.812 -22.292 1.00 0.00 H new ATOM 0 HB2 CYS A 57 3.274 -11.992 -22.888 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.325 -12.911 -21.396 1.00 0.00 H new ATOM 0 HG CYS A 57 2.993 -14.439 -23.973 1.00 0.00 H new ATOM 849 N GLN A 58 0.795 -13.510 -20.168 1.00 0.00 N ATOM 850 CA GLN A 58 0.404 -14.109 -18.898 1.00 0.00 C ATOM 851 C GLN A 58 1.370 -15.220 -18.500 1.00 0.00 C ATOM 852 O GLN A 58 1.780 -15.316 -17.343 1.00 0.00 O ATOM 853 CB GLN A 58 -1.019 -14.662 -18.988 1.00 0.00 C ATOM 854 CG GLN A 58 -1.596 -15.080 -17.645 1.00 0.00 C ATOM 855 CD GLN A 58 -1.826 -13.904 -16.717 1.00 0.00 C ATOM 856 OE1 GLN A 58 -2.913 -13.326 -16.687 1.00 0.00 O ATOM 857 NE2 GLN A 58 -0.802 -13.543 -15.953 1.00 0.00 N ATOM 0 H GLN A 58 0.761 -14.147 -20.964 1.00 0.00 H new ATOM 0 HA GLN A 58 0.437 -13.333 -18.133 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.666 -13.906 -19.432 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.024 -15.521 -19.659 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.540 -15.601 -17.806 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.919 -15.788 -17.167 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.081 -14.050 -16.010 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.898 -12.758 -15.309 1.00 0.00 H new ATOM 866 N HIS A 59 1.729 -16.060 -19.466 1.00 0.00 N ATOM 867 CA HIS A 59 2.647 -17.165 -19.216 1.00 0.00 C ATOM 868 C HIS A 59 4.060 -16.650 -18.959 1.00 0.00 C ATOM 869 O HIS A 59 4.755 -17.134 -18.065 1.00 0.00 O ATOM 870 CB HIS A 59 2.651 -18.130 -20.402 1.00 0.00 C ATOM 871 CG HIS A 59 1.368 -18.886 -20.564 1.00 0.00 C ATOM 872 ND1 HIS A 59 0.946 -19.851 -19.675 1.00 0.00 N ATOM 873 CD2 HIS A 59 0.412 -18.813 -21.520 1.00 0.00 C ATOM 874 CE1 HIS A 59 -0.214 -20.340 -20.077 1.00 0.00 C ATOM 875 NE2 HIS A 59 -0.560 -19.726 -21.194 1.00 0.00 N ATOM 0 H HIS A 59 1.398 -15.996 -20.429 1.00 0.00 H new ATOM 0 HA HIS A 59 2.305 -17.695 -18.327 1.00 0.00 H new ATOM 0 HB2 HIS A 59 2.850 -17.569 -21.315 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.469 -18.840 -20.279 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.414 -18.158 -22.379 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.782 -21.111 -19.577 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -1.411 -19.902 -21.728 1.00 0.00 H new ATOM 883 N CYS A 60 4.479 -15.668 -19.749 1.00 0.00 N ATOM 884 CA CYS A 60 5.809 -15.088 -19.609 1.00 0.00 C ATOM 885 C CYS A 60 5.743 -13.741 -18.895 1.00 0.00 C ATOM 886 O CYS A 60 6.771 -13.146 -18.572 1.00 0.00 O ATOM 887 CB CYS A 60 6.462 -14.918 -20.982 1.00 0.00 C ATOM 888 SG CYS A 60 5.739 -13.583 -21.989 1.00 0.00 S ATOM 0 H CYS A 60 3.916 -15.257 -20.494 1.00 0.00 H new ATOM 0 HA CYS A 60 6.413 -15.769 -19.009 1.00 0.00 H new ATOM 0 HB2 CYS A 60 7.525 -14.720 -20.845 1.00 0.00 H new ATOM 0 HB3 CYS A 60 6.381 -15.857 -21.530 1.00 0.00 H new ATOM 0 HG CYS A 60 5.322 -14.070 -23.120 1.00 0.00 H new ATOM 893 N ARG A 61 4.526 -13.266 -18.651 1.00 0.00 N ATOM 894 CA ARG A 61 4.324 -11.989 -17.977 1.00 0.00 C ATOM 895 C ARG A 61 5.384 -10.977 -18.402 1.00 0.00 C ATOM 896 O ARG A 61 6.058 -10.378 -17.563 1.00 0.00 O ATOM 897 CB ARG A 61 4.364 -12.179 -16.459 1.00 0.00 C ATOM 898 CG ARG A 61 3.453 -13.288 -15.960 1.00 0.00 C ATOM 899 CD ARG A 61 2.877 -12.963 -14.591 1.00 0.00 C ATOM 900 NE ARG A 61 2.650 -14.165 -13.793 1.00 0.00 N ATOM 901 CZ ARG A 61 3.602 -14.775 -13.096 1.00 0.00 C ATOM 902 NH1 ARG A 61 4.839 -14.299 -13.099 1.00 0.00 N ATOM 903 NH2 ARG A 61 3.317 -15.865 -12.394 1.00 0.00 N ATOM 0 H ARG A 61 3.664 -13.747 -18.910 1.00 0.00 H new ATOM 0 HA ARG A 61 3.345 -11.605 -18.263 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.388 -12.397 -16.156 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.081 -11.243 -15.977 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.641 -13.440 -16.671 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.011 -14.223 -15.908 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.558 -12.298 -14.060 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.937 -12.425 -14.712 1.00 0.00 H new ATOM 0 HE ARG A 61 1.709 -14.558 -13.770 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.062 -13.462 -13.638 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.568 -14.770 -12.563 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.366 -16.235 -12.390 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.049 -16.333 -11.859 1.00 0.00 H new ATOM 917 N LYS A 62 5.526 -10.791 -19.709 1.00 0.00 N ATOM 918 CA LYS A 62 6.503 -9.851 -20.247 1.00 0.00 C ATOM 919 C LYS A 62 5.812 -8.727 -21.013 1.00 0.00 C ATOM 920 O LYS A 62 4.794 -8.947 -21.670 1.00 0.00 O ATOM 921 CB LYS A 62 7.488 -10.577 -21.166 1.00 0.00 C ATOM 922 CG LYS A 62 8.619 -11.265 -20.421 1.00 0.00 C ATOM 923 CD LYS A 62 9.371 -12.232 -21.320 1.00 0.00 C ATOM 924 CE LYS A 62 10.621 -12.770 -20.639 1.00 0.00 C ATOM 925 NZ LYS A 62 11.762 -11.818 -20.743 1.00 0.00 N ATOM 0 H LYS A 62 4.977 -11.279 -20.417 1.00 0.00 H new ATOM 0 HA LYS A 62 7.049 -9.415 -19.410 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.946 -11.319 -21.752 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.911 -9.861 -21.870 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.309 -10.516 -20.033 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.216 -11.803 -19.563 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.718 -13.061 -21.591 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.648 -11.729 -22.246 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.406 -12.966 -19.589 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.900 -13.722 -21.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.595 -12.221 -20.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.984 -11.650 -21.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.506 -10.918 -20.289 1.00 0.00 H new ATOM 939 N GLN A 63 6.372 -7.525 -20.924 1.00 0.00 N ATOM 940 CA GLN A 63 5.809 -6.368 -21.610 1.00 0.00 C ATOM 941 C GLN A 63 6.378 -6.240 -23.019 1.00 0.00 C ATOM 942 O GLN A 63 7.594 -6.251 -23.212 1.00 0.00 O ATOM 943 CB GLN A 63 6.090 -5.091 -20.815 1.00 0.00 C ATOM 944 CG GLN A 63 5.338 -3.876 -21.331 1.00 0.00 C ATOM 945 CD GLN A 63 3.923 -3.793 -20.793 1.00 0.00 C ATOM 946 OE1 GLN A 63 3.688 -3.253 -19.712 1.00 0.00 O ATOM 947 NE2 GLN A 63 2.970 -4.329 -21.547 1.00 0.00 N ATOM 0 H GLN A 63 7.214 -7.327 -20.384 1.00 0.00 H new ATOM 0 HA GLN A 63 4.731 -6.511 -21.685 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.823 -5.257 -19.771 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.160 -4.884 -20.842 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.881 -2.973 -21.054 1.00 0.00 H new ATOM 0 HG3 GLN A 63 5.307 -3.908 -22.420 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.209 -4.767 -22.437 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.999 -4.303 -21.236 1.00 0.00 H new ATOM 956 N PHE A 64 5.491 -6.119 -24.001 1.00 0.00 N ATOM 957 CA PHE A 64 5.905 -5.990 -25.393 1.00 0.00 C ATOM 958 C PHE A 64 5.636 -4.581 -25.913 1.00 0.00 C ATOM 959 O PHE A 64 4.886 -3.816 -25.306 1.00 0.00 O ATOM 960 CB PHE A 64 5.172 -7.014 -26.262 1.00 0.00 C ATOM 961 CG PHE A 64 5.637 -8.426 -26.045 1.00 0.00 C ATOM 962 CD1 PHE A 64 5.380 -9.078 -24.850 1.00 0.00 C ATOM 963 CD2 PHE A 64 6.330 -9.101 -27.037 1.00 0.00 C ATOM 964 CE1 PHE A 64 5.806 -10.377 -24.647 1.00 0.00 C ATOM 965 CE2 PHE A 64 6.758 -10.401 -26.840 1.00 0.00 C ATOM 966 CZ PHE A 64 6.497 -11.039 -25.644 1.00 0.00 C ATOM 0 H PHE A 64 4.481 -6.108 -23.859 1.00 0.00 H new ATOM 0 HA PHE A 64 6.977 -6.179 -25.445 1.00 0.00 H new ATOM 0 HB2 PHE A 64 4.103 -6.956 -26.055 1.00 0.00 H new ATOM 0 HB3 PHE A 64 5.308 -6.752 -27.311 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.840 -8.565 -24.068 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.538 -8.606 -27.974 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.599 -10.874 -23.711 1.00 0.00 H new ATOM 0 HE2 PHE A 64 7.296 -10.917 -27.621 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.832 -12.054 -25.488 1.00 0.00 H new ATOM 976 N LYS A 65 6.255 -4.244 -27.039 1.00 0.00 N ATOM 977 CA LYS A 65 6.083 -2.928 -27.643 1.00 0.00 C ATOM 978 C LYS A 65 5.659 -3.049 -29.103 1.00 0.00 C ATOM 979 O LYS A 65 6.102 -2.278 -29.954 1.00 0.00 O ATOM 980 CB LYS A 65 7.383 -2.125 -27.543 1.00 0.00 C ATOM 981 CG LYS A 65 7.198 -0.637 -27.781 1.00 0.00 C ATOM 982 CD LYS A 65 6.445 0.022 -26.637 1.00 0.00 C ATOM 983 CE LYS A 65 6.223 1.504 -26.897 1.00 0.00 C ATOM 984 NZ LYS A 65 6.029 2.266 -25.632 1.00 0.00 N ATOM 0 H LYS A 65 6.881 -4.865 -27.552 1.00 0.00 H new ATOM 0 HA LYS A 65 5.297 -2.406 -27.098 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.818 -2.275 -26.555 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.098 -2.514 -28.268 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.172 -0.162 -27.897 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.654 -0.482 -28.713 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.483 -0.473 -26.500 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.004 -0.106 -25.710 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.078 1.910 -27.438 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.350 1.634 -27.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.881 3.272 -25.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.198 1.896 -25.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.872 2.163 -25.032 1.00 0.00 H new ATOM 998 N SER A 66 4.799 -4.022 -29.385 1.00 0.00 N ATOM 999 CA SER A 66 4.317 -4.246 -30.743 1.00 0.00 C ATOM 1000 C SER A 66 3.236 -5.323 -30.765 1.00 0.00 C ATOM 1001 O SER A 66 3.519 -6.508 -30.588 1.00 0.00 O ATOM 1002 CB SER A 66 5.474 -4.650 -31.658 1.00 0.00 C ATOM 1003 OG SER A 66 5.175 -4.370 -33.014 1.00 0.00 O ATOM 0 H SER A 66 4.422 -4.668 -28.692 1.00 0.00 H new ATOM 0 HA SER A 66 3.885 -3.314 -31.107 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.377 -4.116 -31.364 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.680 -5.714 -31.540 1.00 0.00 H new ATOM 0 HG SER A 66 5.931 -4.636 -33.577 1.00 0.00 H new ATOM 1009 N LYS A 67 1.995 -4.902 -30.985 1.00 0.00 N ATOM 1010 CA LYS A 67 0.869 -5.827 -31.032 1.00 0.00 C ATOM 1011 C LYS A 67 1.232 -7.085 -31.816 1.00 0.00 C ATOM 1012 O LYS A 67 1.137 -8.198 -31.300 1.00 0.00 O ATOM 1013 CB LYS A 67 -0.348 -5.151 -31.667 1.00 0.00 C ATOM 1014 CG LYS A 67 -1.248 -4.452 -30.662 1.00 0.00 C ATOM 1015 CD LYS A 67 -2.138 -5.442 -29.928 1.00 0.00 C ATOM 1016 CE LYS A 67 -3.067 -4.737 -28.951 1.00 0.00 C ATOM 1017 NZ LYS A 67 -4.086 -3.909 -29.654 1.00 0.00 N ATOM 0 H LYS A 67 1.744 -3.925 -31.134 1.00 0.00 H new ATOM 0 HA LYS A 67 0.624 -6.114 -30.009 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -0.006 -4.424 -32.404 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.930 -5.900 -32.204 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.637 -3.907 -29.942 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.867 -3.717 -31.176 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.728 -6.007 -30.650 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.519 -6.160 -29.390 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.568 -5.477 -28.327 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.481 -4.104 -28.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.809 -3.597 -28.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.626 -3.078 -30.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.536 -4.474 -30.403 1.00 0.00 H new ATOM 1031 N ALA A 68 1.648 -6.899 -33.064 1.00 0.00 N ATOM 1032 CA ALA A 68 2.028 -8.018 -33.918 1.00 0.00 C ATOM 1033 C ALA A 68 3.050 -8.913 -33.226 1.00 0.00 C ATOM 1034 O ALA A 68 2.996 -10.137 -33.340 1.00 0.00 O ATOM 1035 CB ALA A 68 2.579 -7.508 -35.241 1.00 0.00 C ATOM 0 H ALA A 68 1.731 -5.984 -33.507 1.00 0.00 H new ATOM 0 HA ALA A 68 1.136 -8.614 -34.114 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.859 -8.354 -35.869 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.817 -6.916 -35.748 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.456 -6.888 -35.055 1.00 0.00 H new ATOM 1041 N GLY A 69 3.983 -8.294 -32.508 1.00 0.00 N ATOM 1042 CA GLY A 69 5.005 -9.051 -31.810 1.00 0.00 C ATOM 1043 C GLY A 69 4.422 -10.002 -30.783 1.00 0.00 C ATOM 1044 O GLY A 69 4.926 -11.110 -30.596 1.00 0.00 O ATOM 0 H GLY A 69 4.049 -7.282 -32.398 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.591 -9.617 -32.534 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.689 -8.362 -31.315 1.00 0.00 H new ATOM 1048 N LEU A 70 3.359 -9.569 -30.115 1.00 0.00 N ATOM 1049 CA LEU A 70 2.708 -10.389 -29.099 1.00 0.00 C ATOM 1050 C LEU A 70 1.851 -11.474 -29.744 1.00 0.00 C ATOM 1051 O LEU A 70 1.989 -12.656 -29.430 1.00 0.00 O ATOM 1052 CB LEU A 70 1.844 -9.516 -28.187 1.00 0.00 C ATOM 1053 CG LEU A 70 1.138 -10.238 -27.039 1.00 0.00 C ATOM 1054 CD1 LEU A 70 2.134 -10.617 -25.954 1.00 0.00 C ATOM 1055 CD2 LEU A 70 0.027 -9.370 -26.466 1.00 0.00 C ATOM 0 H LEU A 70 2.929 -8.655 -30.258 1.00 0.00 H new ATOM 0 HA LEU A 70 3.484 -10.870 -28.503 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.473 -8.733 -27.765 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.089 -9.023 -28.799 1.00 0.00 H new ATOM 0 HG LEU A 70 0.692 -11.153 -27.430 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.613 -11.130 -25.145 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.894 -11.277 -26.372 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.609 -9.716 -25.566 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.465 -9.900 -25.650 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.450 -8.438 -26.091 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.701 -9.149 -27.246 1.00 0.00 H new ATOM 1067 N ASN A 71 0.967 -11.065 -30.648 1.00 0.00 N ATOM 1068 CA ASN A 71 0.089 -12.002 -31.338 1.00 0.00 C ATOM 1069 C ASN A 71 0.878 -13.196 -31.869 1.00 0.00 C ATOM 1070 O ASN A 71 0.395 -14.328 -31.855 1.00 0.00 O ATOM 1071 CB ASN A 71 -0.635 -11.302 -32.489 1.00 0.00 C ATOM 1072 CG ASN A 71 -1.645 -10.282 -32.001 1.00 0.00 C ATOM 1073 OD1 ASN A 71 -2.492 -10.583 -31.160 1.00 0.00 O ATOM 1074 ND2 ASN A 71 -1.560 -9.066 -32.529 1.00 0.00 N ATOM 0 H ASN A 71 0.840 -10.090 -30.920 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.648 -12.365 -30.622 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.097 -10.808 -33.128 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.142 -12.047 -33.102 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.213 -8.338 -32.240 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.842 -8.861 -33.223 1.00 0.00 H new ATOM 1081 N TYR A 72 2.093 -12.934 -32.336 1.00 0.00 N ATOM 1082 CA TYR A 72 2.948 -13.985 -32.874 1.00 0.00 C ATOM 1083 C TYR A 72 3.655 -14.739 -31.752 1.00 0.00 C ATOM 1084 O TYR A 72 3.592 -15.967 -31.677 1.00 0.00 O ATOM 1085 CB TYR A 72 3.981 -13.391 -33.834 1.00 0.00 C ATOM 1086 CG TYR A 72 4.504 -14.381 -34.850 1.00 0.00 C ATOM 1087 CD1 TYR A 72 3.633 -15.124 -35.637 1.00 0.00 C ATOM 1088 CD2 TYR A 72 5.869 -14.573 -35.023 1.00 0.00 C ATOM 1089 CE1 TYR A 72 4.106 -16.031 -36.566 1.00 0.00 C ATOM 1090 CE2 TYR A 72 6.351 -15.476 -35.951 1.00 0.00 C ATOM 1091 CZ TYR A 72 5.466 -16.203 -36.719 1.00 0.00 C ATOM 1092 OH TYR A 72 5.942 -17.104 -37.644 1.00 0.00 O ATOM 0 H TYR A 72 2.508 -12.003 -32.353 1.00 0.00 H new ATOM 0 HA TYR A 72 2.317 -14.687 -33.419 1.00 0.00 H new ATOM 0 HB2 TYR A 72 3.534 -12.547 -34.359 1.00 0.00 H new ATOM 0 HB3 TYR A 72 4.818 -13.000 -33.256 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.568 -14.990 -35.521 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.565 -14.007 -34.422 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.415 -16.602 -37.169 1.00 0.00 H new ATOM 0 HE2 TYR A 72 7.415 -15.612 -36.074 1.00 0.00 H new ATOM 0 HH TYR A 72 6.922 -17.103 -37.627 1.00 0.00 H new ATOM 1102 N HIS A 73 4.329 -13.995 -30.881 1.00 0.00 N ATOM 1103 CA HIS A 73 5.047 -14.592 -29.760 1.00 0.00 C ATOM 1104 C HIS A 73 4.168 -15.599 -29.025 1.00 0.00 C ATOM 1105 O HIS A 73 4.513 -16.776 -28.913 1.00 0.00 O ATOM 1106 CB HIS A 73 5.518 -13.507 -28.792 1.00 0.00 C ATOM 1107 CG HIS A 73 5.511 -13.939 -27.358 1.00 0.00 C ATOM 1108 ND1 HIS A 73 6.648 -14.328 -26.684 1.00 0.00 N ATOM 1109 CD2 HIS A 73 4.495 -14.040 -26.469 1.00 0.00 C ATOM 1110 CE1 HIS A 73 6.332 -14.651 -25.442 1.00 0.00 C ATOM 1111 NE2 HIS A 73 5.032 -14.485 -25.286 1.00 0.00 N ATOM 0 H HIS A 73 4.393 -12.978 -30.930 1.00 0.00 H new ATOM 0 HA HIS A 73 5.916 -15.117 -30.157 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.528 -13.201 -29.066 1.00 0.00 H new ATOM 0 HB3 HIS A 73 4.879 -12.631 -28.902 1.00 0.00 H new ATOM 0 HD1 HIS A 73 7.587 -14.361 -27.081 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.456 -13.813 -26.655 1.00 0.00 H new ATOM 0 HE1 HIS A 73 7.021 -14.993 -24.683 1.00 0.00 H new ATOM 1119 N THR A 74 3.029 -15.130 -28.525 1.00 0.00 N ATOM 1120 CA THR A 74 2.101 -15.988 -27.800 1.00 0.00 C ATOM 1121 C THR A 74 2.049 -17.383 -28.412 1.00 0.00 C ATOM 1122 O THR A 74 2.205 -18.384 -27.714 1.00 0.00 O ATOM 1123 CB THR A 74 0.681 -15.393 -27.784 1.00 0.00 C ATOM 1124 OG1 THR A 74 0.727 -14.026 -27.361 1.00 0.00 O ATOM 1125 CG2 THR A 74 -0.228 -16.186 -26.857 1.00 0.00 C ATOM 0 H THR A 74 2.727 -14.159 -28.609 1.00 0.00 H new ATOM 0 HA THR A 74 2.469 -16.057 -26.776 1.00 0.00 H new ATOM 0 HB THR A 74 0.278 -15.446 -28.795 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.017 -13.462 -28.108 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.226 -15.747 -26.862 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.285 -17.219 -27.199 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.174 -16.161 -25.844 1.00 0.00 H new ATOM 1133 N MET A 75 1.829 -17.441 -29.722 1.00 0.00 N ATOM 1134 CA MET A 75 1.759 -18.715 -30.428 1.00 0.00 C ATOM 1135 C MET A 75 3.150 -19.314 -30.609 1.00 0.00 C ATOM 1136 O MET A 75 3.319 -20.533 -30.580 1.00 0.00 O ATOM 1137 CB MET A 75 1.089 -18.530 -31.791 1.00 0.00 C ATOM 1138 CG MET A 75 0.340 -19.763 -32.272 1.00 0.00 C ATOM 1139 SD MET A 75 -0.394 -19.536 -33.904 1.00 0.00 S ATOM 1140 CE MET A 75 1.067 -19.224 -34.892 1.00 0.00 C ATOM 0 H MET A 75 1.696 -16.622 -30.315 1.00 0.00 H new ATOM 0 HA MET A 75 1.163 -19.402 -29.828 1.00 0.00 H new ATOM 0 HB2 MET A 75 0.394 -17.692 -31.735 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.848 -18.266 -32.527 1.00 0.00 H new ATOM 0 HG2 MET A 75 1.024 -20.611 -32.300 1.00 0.00 H new ATOM 0 HG3 MET A 75 -0.444 -20.010 -31.556 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.849 -19.431 -35.940 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.365 -18.181 -34.782 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.878 -19.870 -34.556 1.00 0.00 H new ATOM 1150 N ALA A 76 4.142 -18.450 -30.796 1.00 0.00 N ATOM 1151 CA ALA A 76 5.518 -18.894 -30.980 1.00 0.00 C ATOM 1152 C ALA A 76 6.016 -19.659 -29.759 1.00 0.00 C ATOM 1153 O ALA A 76 6.361 -20.837 -29.851 1.00 0.00 O ATOM 1154 CB ALA A 76 6.423 -17.705 -31.265 1.00 0.00 C ATOM 0 H ALA A 76 4.018 -17.438 -30.824 1.00 0.00 H new ATOM 0 HA ALA A 76 5.544 -19.569 -31.835 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.448 -18.052 -31.400 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.088 -17.202 -32.172 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.383 -17.008 -30.428 1.00 0.00 H new ATOM 1160 N GLU A 77 6.050 -18.982 -28.615 1.00 0.00 N ATOM 1161 CA GLU A 77 6.508 -19.599 -27.376 1.00 0.00 C ATOM 1162 C GLU A 77 5.394 -20.422 -26.735 1.00 0.00 C ATOM 1163 O GLU A 77 5.508 -21.641 -26.597 1.00 0.00 O ATOM 1164 CB GLU A 77 6.995 -18.529 -26.397 1.00 0.00 C ATOM 1165 CG GLU A 77 8.436 -18.104 -26.626 1.00 0.00 C ATOM 1166 CD GLU A 77 9.387 -19.283 -26.697 1.00 0.00 C ATOM 1167 OE1 GLU A 77 9.727 -19.836 -25.631 1.00 0.00 O ATOM 1168 OE2 GLU A 77 9.791 -19.651 -27.820 1.00 0.00 O ATOM 0 H GLU A 77 5.766 -18.007 -28.521 1.00 0.00 H new ATOM 0 HA GLU A 77 7.337 -20.265 -27.616 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.350 -17.654 -26.478 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.894 -18.907 -25.380 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.500 -17.534 -27.553 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.747 -17.439 -25.821 1.00 0.00 H new ATOM 1175 N HIS A 78 4.318 -19.748 -26.344 1.00 0.00 N ATOM 1176 CA HIS A 78 3.183 -20.416 -25.717 1.00 0.00 C ATOM 1177 C HIS A 78 2.236 -20.982 -26.770 1.00 0.00 C ATOM 1178 O HIS A 78 1.170 -20.421 -27.026 1.00 0.00 O ATOM 1179 CB HIS A 78 2.431 -19.444 -24.807 1.00 0.00 C ATOM 1180 CG HIS A 78 3.327 -18.497 -24.070 1.00 0.00 C ATOM 1181 ND1 HIS A 78 4.623 -18.810 -23.716 1.00 0.00 N ATOM 1182 CD2 HIS A 78 3.109 -17.239 -23.621 1.00 0.00 C ATOM 1183 CE1 HIS A 78 5.162 -17.785 -23.080 1.00 0.00 C ATOM 1184 NE2 HIS A 78 4.265 -16.819 -23.009 1.00 0.00 N ATOM 0 H HIS A 78 4.208 -18.740 -26.450 1.00 0.00 H new ATOM 0 HA HIS A 78 3.565 -21.242 -25.117 1.00 0.00 H new ATOM 0 HB2 HIS A 78 1.725 -18.870 -25.407 1.00 0.00 H new ATOM 0 HB3 HIS A 78 1.846 -20.014 -24.085 1.00 0.00 H new ATOM 0 HD2 HIS A 78 2.196 -16.671 -23.725 1.00 0.00 H new ATOM 0 HE1 HIS A 78 6.166 -17.744 -22.685 1.00 0.00 H new ATOM 0 HE2 HIS A 78 4.407 -15.909 -22.571 1.00 0.00 H new