USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 618 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 63 THR OG1 : rot 180:sc= 0.00285 USER MOD Set 1.2: A 64 SER OG : rot -126:sc= 0.0925 USER MOD Single : A 11 THR OG1 : rot -48:sc= 0.15 USER MOD Single : A 13 GLN : amide:sc= 0.615 K(o=0.61,f=-0.24) USER MOD Single : A 14 THR OG1 : rot 82:sc= 1.25 USER MOD Single : A 18 GLN : amide:sc= 1.16 K(o=1.2,f=-0.00096) USER MOD Single : A 20 ASN : amide:sc= -0.478 X(o=-0.48,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -165:sc= -0.0461 (180deg=-0.251) USER MOD Single : A 26 SER OG : rot 180:sc=0.000533 USER MOD Single : A 28 LYS NZ :NH3+ 150:sc= 1.14 (180deg=0.31) USER MOD Single : A 29 SER OG : rot 92:sc= 0.381 USER MOD Single : A 43 THR OG1 : rot 35:sc= 0.149 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0071 USER MOD Single : A 54 LYS NZ :NH3+ -162:sc= 1.37 (180deg=0.229) USER MOD Single : A 55 LYS NZ :NH3+ -173:sc= 1.33 (180deg=1.23) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -1.83! C(o=-1.8!,f=-8.8!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.873 (180deg=-0.873) USER MOD Single : A 81 ASN : amide:sc= -0.205 X(o=-0.21,f=-0.13) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot -150:sc= -2.14! USER MOD Single : A 87 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0613) USER MOD Single : A 88 MET CE :methyl -161:sc= -0.111 (180deg=-0.749) USER MOD Single : A 90 LYS NZ :NH3+ 146:sc= 0.795 (180deg=0.0795) USER MOD Single : A 93 MET CE :methyl -142:sc= -2.04 (180deg=-4.31!) USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 9 6.488 1.249 -7.422 1.00 0.00 N ATOM 94 CA GLU A 9 5.093 0.898 -7.550 1.00 0.00 C ATOM 95 C GLU A 9 4.950 -0.607 -7.797 1.00 0.00 C ATOM 96 O GLU A 9 3.995 -1.228 -7.328 1.00 0.00 O ATOM 97 CB GLU A 9 4.414 1.712 -8.651 1.00 0.00 C ATOM 98 CG GLU A 9 2.914 1.436 -8.769 1.00 0.00 C ATOM 99 CD GLU A 9 2.276 2.075 -9.971 1.00 0.00 C ATOM 100 OE1 GLU A 9 2.529 1.620 -11.094 1.00 0.00 O ATOM 101 OE2 GLU A 9 1.470 3.019 -9.822 1.00 0.00 O ATOM 0 HA GLU A 9 4.588 1.142 -6.615 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.567 2.773 -8.456 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.893 1.491 -9.605 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.754 0.359 -8.813 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.415 1.796 -7.869 1.00 0.00 H new ATOM 108 N TRP A 10 5.931 -1.187 -8.500 1.00 0.00 N ATOM 109 CA TRP A 10 5.978 -2.624 -8.746 1.00 0.00 C ATOM 110 C TRP A 10 5.906 -3.385 -7.442 1.00 0.00 C ATOM 111 O TRP A 10 5.099 -4.289 -7.303 1.00 0.00 O ATOM 112 CB TRP A 10 7.262 -3.019 -9.508 1.00 0.00 C ATOM 113 CG TRP A 10 7.508 -4.509 -9.617 1.00 0.00 C ATOM 114 CD1 TRP A 10 7.025 -5.357 -10.561 1.00 0.00 C ATOM 115 CD2 TRP A 10 8.307 -5.315 -8.731 1.00 0.00 C ATOM 116 NE1 TRP A 10 7.472 -6.632 -10.324 1.00 0.00 N ATOM 117 CE2 TRP A 10 8.255 -6.633 -9.203 1.00 0.00 C ATOM 118 CE3 TRP A 10 9.054 -5.043 -7.585 1.00 0.00 C ATOM 119 CZ2 TRP A 10 8.923 -7.681 -8.567 1.00 0.00 C ATOM 120 CZ3 TRP A 10 9.710 -6.075 -6.954 1.00 0.00 C ATOM 121 CH2 TRP A 10 9.643 -7.378 -7.441 1.00 0.00 C ATOM 0 H TRP A 10 6.709 -0.671 -8.911 1.00 0.00 H new ATOM 0 HA TRP A 10 5.117 -2.883 -9.362 1.00 0.00 H new ATOM 0 HB2 TRP A 10 7.214 -2.599 -10.513 1.00 0.00 H new ATOM 0 HB3 TRP A 10 8.117 -2.560 -9.012 1.00 0.00 H new ATOM 0 HD1 TRP A 10 6.382 -5.069 -11.380 1.00 0.00 H new ATOM 0 HE1 TRP A 10 7.255 -7.450 -10.894 1.00 0.00 H new ATOM 0 HE3 TRP A 10 9.117 -4.037 -7.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 8.874 -8.691 -8.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 10.288 -5.871 -6.065 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.169 -8.165 -6.921 1.00 0.00 H new ATOM 132 N THR A 11 6.728 -2.998 -6.481 1.00 0.00 N ATOM 133 CA THR A 11 6.774 -3.686 -5.206 1.00 0.00 C ATOM 134 C THR A 11 5.408 -3.654 -4.531 1.00 0.00 C ATOM 135 O THR A 11 4.914 -4.676 -4.064 1.00 0.00 O ATOM 136 CB THR A 11 7.851 -3.090 -4.275 1.00 0.00 C ATOM 137 OG1 THR A 11 9.133 -3.096 -4.945 1.00 0.00 O ATOM 138 CG2 THR A 11 7.954 -3.902 -2.993 1.00 0.00 C ATOM 0 H THR A 11 7.372 -2.211 -6.561 1.00 0.00 H new ATOM 0 HA THR A 11 7.045 -4.723 -5.402 1.00 0.00 H new ATOM 0 HB THR A 11 7.567 -2.067 -4.028 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.288 -3.976 -5.346 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.718 -3.468 -2.348 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.994 -3.891 -2.477 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.224 -4.930 -3.234 1.00 0.00 H new ATOM 146 N LEU A 12 4.787 -2.504 -4.571 1.00 0.00 N ATOM 147 CA LEU A 12 3.490 -2.312 -3.984 1.00 0.00 C ATOM 148 C LEU A 12 2.439 -3.154 -4.688 1.00 0.00 C ATOM 149 O LEU A 12 1.690 -3.893 -4.041 1.00 0.00 O ATOM 150 CB LEU A 12 3.117 -0.852 -4.058 1.00 0.00 C ATOM 151 CG LEU A 12 3.944 0.108 -3.215 1.00 0.00 C ATOM 152 CD1 LEU A 12 3.464 1.533 -3.424 1.00 0.00 C ATOM 153 CD2 LEU A 12 3.855 -0.275 -1.747 1.00 0.00 C ATOM 0 H LEU A 12 5.171 -1.670 -5.015 1.00 0.00 H new ATOM 0 HA LEU A 12 3.531 -2.629 -2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.185 -0.536 -5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.073 -0.752 -3.762 1.00 0.00 H new ATOM 0 HG LEU A 12 4.987 0.045 -3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.063 2.211 -2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.567 1.801 -4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.417 1.611 -3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.450 0.419 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.816 -0.231 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.235 -1.288 -1.611 1.00 0.00 H new ATOM 165 N GLN A 13 2.419 -3.086 -6.017 1.00 0.00 N ATOM 166 CA GLN A 13 1.425 -3.800 -6.785 1.00 0.00 C ATOM 167 C GLN A 13 1.605 -5.304 -6.624 1.00 0.00 C ATOM 168 O GLN A 13 0.655 -6.002 -6.475 1.00 0.00 O ATOM 169 CB GLN A 13 1.422 -3.402 -8.283 1.00 0.00 C ATOM 170 CG GLN A 13 2.521 -4.009 -9.123 1.00 0.00 C ATOM 171 CD GLN A 13 2.447 -3.601 -10.555 1.00 0.00 C ATOM 172 OE1 GLN A 13 3.033 -2.602 -10.965 1.00 0.00 O ATOM 173 NE2 GLN A 13 1.740 -4.366 -11.333 1.00 0.00 N ATOM 0 H GLN A 13 3.080 -2.544 -6.574 1.00 0.00 H new ATOM 0 HA GLN A 13 0.452 -3.514 -6.386 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.462 -3.686 -8.714 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.494 -2.317 -8.352 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.488 -3.714 -8.716 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.465 -5.096 -9.056 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.269 -5.186 -10.951 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.656 -4.146 -12.325 1.00 0.00 H new ATOM 182 N THR A 14 2.847 -5.763 -6.572 1.00 0.00 N ATOM 183 CA THR A 14 3.154 -7.182 -6.452 1.00 0.00 C ATOM 184 C THR A 14 2.573 -7.772 -5.146 1.00 0.00 C ATOM 185 O THR A 14 2.159 -8.931 -5.096 1.00 0.00 O ATOM 186 CB THR A 14 4.688 -7.404 -6.551 1.00 0.00 C ATOM 187 OG1 THR A 14 5.156 -6.846 -7.789 1.00 0.00 O ATOM 188 CG2 THR A 14 5.049 -8.870 -6.537 1.00 0.00 C ATOM 0 H THR A 14 3.671 -5.163 -6.612 1.00 0.00 H new ATOM 0 HA THR A 14 2.680 -7.713 -7.277 1.00 0.00 H new ATOM 0 HB THR A 14 5.150 -6.924 -5.689 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.281 -5.880 -7.686 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.131 -8.979 -6.608 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.699 -9.322 -5.609 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.578 -9.369 -7.384 1.00 0.00 H new ATOM 196 N LEU A 15 2.494 -6.956 -4.123 1.00 0.00 N ATOM 197 CA LEU A 15 1.920 -7.374 -2.862 1.00 0.00 C ATOM 198 C LEU A 15 0.396 -7.361 -2.986 1.00 0.00 C ATOM 199 O LEU A 15 -0.293 -8.323 -2.634 1.00 0.00 O ATOM 200 CB LEU A 15 2.348 -6.401 -1.769 1.00 0.00 C ATOM 201 CG LEU A 15 3.859 -6.181 -1.629 1.00 0.00 C ATOM 202 CD1 LEU A 15 4.157 -5.023 -0.700 1.00 0.00 C ATOM 203 CD2 LEU A 15 4.539 -7.438 -1.131 1.00 0.00 C ATOM 0 H LEU A 15 2.822 -5.990 -4.138 1.00 0.00 H new ATOM 0 HA LEU A 15 2.263 -8.377 -2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.875 -5.438 -1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.962 -6.762 -0.816 1.00 0.00 H new ATOM 0 HG LEU A 15 4.252 -5.938 -2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.236 -4.890 -0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.708 -4.113 -1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.742 -5.232 0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.610 -7.260 -1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.131 -7.711 -0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.366 -8.250 -1.837 1.00 0.00 H new ATOM 215 N LEU A 16 -0.105 -6.294 -3.557 1.00 0.00 N ATOM 216 CA LEU A 16 -1.530 -6.065 -3.690 1.00 0.00 C ATOM 217 C LEU A 16 -2.176 -6.931 -4.794 1.00 0.00 C ATOM 218 O LEU A 16 -3.383 -7.051 -4.869 1.00 0.00 O ATOM 219 CB LEU A 16 -1.784 -4.575 -3.909 1.00 0.00 C ATOM 220 CG LEU A 16 -1.339 -3.646 -2.765 1.00 0.00 C ATOM 221 CD1 LEU A 16 -1.464 -2.198 -3.171 1.00 0.00 C ATOM 222 CD2 LEU A 16 -2.171 -3.895 -1.524 1.00 0.00 C ATOM 0 H LEU A 16 0.469 -5.548 -3.949 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.012 -6.376 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.272 -4.268 -4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.851 -4.428 -4.077 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.294 -3.864 -2.546 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.144 -1.560 -2.347 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.836 -2.009 -4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.503 -1.978 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.842 -3.229 -0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.221 -3.705 -1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.049 -4.930 -1.206 1.00 0.00 H new ATOM 234 N GLU A 17 -1.370 -7.508 -5.657 1.00 0.00 N ATOM 235 CA GLU A 17 -1.872 -8.443 -6.654 1.00 0.00 C ATOM 236 C GLU A 17 -2.041 -9.822 -6.029 1.00 0.00 C ATOM 237 O GLU A 17 -2.685 -10.705 -6.587 1.00 0.00 O ATOM 238 CB GLU A 17 -0.968 -8.497 -7.900 1.00 0.00 C ATOM 239 CG GLU A 17 -0.960 -7.195 -8.705 1.00 0.00 C ATOM 240 CD GLU A 17 -0.151 -7.283 -9.984 1.00 0.00 C ATOM 241 OE1 GLU A 17 -0.681 -7.747 -11.005 1.00 0.00 O ATOM 242 OE2 GLU A 17 1.030 -6.890 -9.998 1.00 0.00 O ATOM 0 H GLU A 17 -0.363 -7.350 -5.693 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.846 -8.089 -6.993 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.051 -8.730 -7.590 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.299 -9.311 -8.544 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.986 -6.922 -8.951 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.558 -6.395 -8.084 1.00 0.00 H new ATOM 249 N GLN A 18 -1.474 -9.986 -4.855 1.00 0.00 N ATOM 250 CA GLN A 18 -1.604 -11.210 -4.101 1.00 0.00 C ATOM 251 C GLN A 18 -2.763 -11.086 -3.120 1.00 0.00 C ATOM 252 O GLN A 18 -3.680 -11.918 -3.102 1.00 0.00 O ATOM 253 CB GLN A 18 -0.295 -11.534 -3.391 1.00 0.00 C ATOM 254 CG GLN A 18 0.813 -11.943 -4.348 1.00 0.00 C ATOM 255 CD GLN A 18 2.127 -12.172 -3.653 1.00 0.00 C ATOM 256 OE1 GLN A 18 2.427 -13.278 -3.203 1.00 0.00 O ATOM 257 NE2 GLN A 18 2.933 -11.158 -3.599 1.00 0.00 N ATOM 0 H GLN A 18 -0.909 -9.272 -4.396 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.821 -12.036 -4.778 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.028 -10.663 -2.821 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -0.465 -12.339 -2.676 1.00 0.00 H new ATOM 0 HG2 GLN A 18 0.519 -12.854 -4.869 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.937 -11.169 -5.105 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.647 -10.258 -3.984 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.854 -11.260 -3.172 1.00 0.00 H new ATOM 266 N LEU A 19 -2.757 -10.020 -2.350 1.00 0.00 N ATOM 267 CA LEU A 19 -3.824 -9.757 -1.408 1.00 0.00 C ATOM 268 C LEU A 19 -4.819 -8.816 -2.117 1.00 0.00 C ATOM 269 O LEU A 19 -4.455 -7.731 -2.502 1.00 0.00 O ATOM 270 CB LEU A 19 -3.232 -9.099 -0.121 1.00 0.00 C ATOM 271 CG LEU A 19 -2.891 -7.602 -0.206 1.00 0.00 C ATOM 272 CD1 LEU A 19 -4.007 -6.739 0.356 1.00 0.00 C ATOM 273 CD2 LEU A 19 -1.550 -7.257 0.372 1.00 0.00 C ATOM 0 H LEU A 19 -2.019 -9.316 -2.358 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.331 -10.671 -1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.944 -9.240 0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.326 -9.640 0.152 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.809 -7.372 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.729 -5.688 0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.922 -6.915 -0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.172 -6.994 1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.378 -6.185 0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.525 -7.537 1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.772 -7.799 -0.166 1.00 0.00 H new ATOM 285 N ASN A 20 -6.041 -9.244 -2.361 1.00 0.00 N ATOM 286 CA ASN A 20 -6.975 -8.358 -3.105 1.00 0.00 C ATOM 287 C ASN A 20 -8.407 -8.804 -3.100 1.00 0.00 C ATOM 288 O ASN A 20 -9.290 -7.963 -3.102 1.00 0.00 O ATOM 289 CB ASN A 20 -6.514 -8.117 -4.560 1.00 0.00 C ATOM 290 CG ASN A 20 -6.376 -9.395 -5.337 1.00 0.00 C ATOM 291 OD1 ASN A 20 -7.273 -9.813 -6.062 1.00 0.00 O ATOM 292 ND2 ASN A 20 -5.303 -10.071 -5.097 1.00 0.00 N ATOM 0 H ASN A 20 -6.417 -10.150 -2.081 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.939 -7.421 -2.549 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.230 -7.466 -5.062 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.558 -7.594 -4.553 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.176 -10.992 -5.517 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.582 -9.684 -4.487 1.00 0.00 H new ATOM 299 N GLU A 21 -8.650 -10.103 -3.088 1.00 0.00 N ATOM 300 CA GLU A 21 -10.013 -10.622 -3.149 1.00 0.00 C ATOM 301 C GLU A 21 -10.832 -10.155 -1.936 1.00 0.00 C ATOM 302 O GLU A 21 -11.602 -9.210 -2.030 1.00 0.00 O ATOM 303 CB GLU A 21 -10.000 -12.144 -3.288 1.00 0.00 C ATOM 304 CG GLU A 21 -11.364 -12.766 -3.493 1.00 0.00 C ATOM 305 CD GLU A 21 -11.283 -14.250 -3.703 1.00 0.00 C ATOM 306 OE1 GLU A 21 -11.134 -14.686 -4.861 1.00 0.00 O ATOM 307 OE2 GLU A 21 -11.347 -15.002 -2.714 1.00 0.00 O ATOM 0 H GLU A 21 -7.926 -10.820 -3.037 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.503 -10.219 -4.036 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.361 -12.414 -4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.549 -12.574 -2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.991 -12.557 -2.626 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.847 -12.304 -4.354 1.00 0.00 H new ATOM 314 N ASP A 22 -10.630 -10.768 -0.794 1.00 0.00 N ATOM 315 CA ASP A 22 -11.314 -10.307 0.415 1.00 0.00 C ATOM 316 C ASP A 22 -10.312 -9.526 1.255 1.00 0.00 C ATOM 317 O ASP A 22 -10.638 -8.783 2.176 1.00 0.00 O ATOM 318 CB ASP A 22 -11.879 -11.497 1.201 1.00 0.00 C ATOM 319 CG ASP A 22 -12.681 -11.091 2.423 1.00 0.00 C ATOM 320 OD1 ASP A 22 -13.906 -10.833 2.287 1.00 0.00 O ATOM 321 OD2 ASP A 22 -12.113 -11.055 3.539 1.00 0.00 O ATOM 0 H ASP A 22 -10.014 -11.571 -0.665 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.155 -9.665 0.151 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.513 -12.090 0.541 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.056 -12.139 1.514 1.00 0.00 H new ATOM 326 N GLU A 23 -9.099 -9.626 0.813 1.00 0.00 N ATOM 327 CA GLU A 23 -7.928 -9.122 1.507 1.00 0.00 C ATOM 328 C GLU A 23 -7.812 -7.624 1.371 1.00 0.00 C ATOM 329 O GLU A 23 -7.348 -6.938 2.274 1.00 0.00 O ATOM 330 CB GLU A 23 -6.713 -9.746 0.878 1.00 0.00 C ATOM 331 CG GLU A 23 -6.851 -11.229 0.657 1.00 0.00 C ATOM 332 CD GLU A 23 -6.984 -11.995 1.944 1.00 0.00 C ATOM 333 OE1 GLU A 23 -5.983 -12.165 2.645 1.00 0.00 O ATOM 334 OE2 GLU A 23 -8.103 -12.452 2.256 1.00 0.00 O ATOM 0 H GLU A 23 -8.875 -10.076 -0.074 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.012 -9.370 2.565 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.517 -9.260 -0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.847 -9.560 1.513 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.724 -11.420 0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.982 -11.594 0.110 1.00 0.00 H new ATOM 341 N LEU A 24 -8.255 -7.112 0.244 1.00 0.00 N ATOM 342 CA LEU A 24 -8.121 -5.700 -0.031 1.00 0.00 C ATOM 343 C LEU A 24 -9.068 -4.935 0.856 1.00 0.00 C ATOM 344 O LEU A 24 -8.801 -3.831 1.243 1.00 0.00 O ATOM 345 CB LEU A 24 -8.451 -5.408 -1.479 1.00 0.00 C ATOM 346 CG LEU A 24 -7.686 -4.262 -2.118 1.00 0.00 C ATOM 347 CD1 LEU A 24 -6.203 -4.603 -2.215 1.00 0.00 C ATOM 348 CD2 LEU A 24 -8.243 -3.964 -3.482 1.00 0.00 C ATOM 0 H LEU A 24 -8.709 -7.650 -0.494 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.092 -5.397 0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.268 -6.311 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.517 -5.192 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.798 -3.376 -1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.668 -3.772 -2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.805 -4.783 -1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.075 -5.498 -2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.687 -3.141 -3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.153 -4.848 -4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.293 -3.686 -3.393 1.00 0.00 H new ATOM 360 N LYS A 25 -10.147 -5.586 1.204 1.00 0.00 N ATOM 361 CA LYS A 25 -11.203 -5.033 2.033 1.00 0.00 C ATOM 362 C LYS A 25 -10.666 -4.778 3.427 1.00 0.00 C ATOM 363 O LYS A 25 -10.963 -3.749 4.054 1.00 0.00 O ATOM 364 CB LYS A 25 -12.331 -6.038 2.049 1.00 0.00 C ATOM 365 CG LYS A 25 -12.782 -6.375 0.647 1.00 0.00 C ATOM 366 CD LYS A 25 -13.661 -7.579 0.601 1.00 0.00 C ATOM 367 CE LYS A 25 -14.109 -7.871 -0.836 1.00 0.00 C ATOM 368 NZ LYS A 25 -14.869 -6.752 -1.451 1.00 0.00 N ATOM 0 H LYS A 25 -10.327 -6.547 0.912 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.566 -4.082 1.643 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.006 -6.946 2.557 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.170 -5.638 2.618 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.317 -5.523 0.227 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.907 -6.544 0.019 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.127 -8.440 1.002 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.534 -7.422 1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.232 -8.085 -1.447 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.728 -8.768 -0.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.357 -7.091 -2.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.570 -6.393 -0.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.213 -5.987 -1.708 1.00 0.00 H new ATOM 382 N SER A 26 -9.850 -5.708 3.885 1.00 0.00 N ATOM 383 CA SER A 26 -9.155 -5.611 5.099 1.00 0.00 C ATOM 384 C SER A 26 -8.203 -4.422 5.031 1.00 0.00 C ATOM 385 O SER A 26 -8.285 -3.499 5.832 1.00 0.00 O ATOM 386 CB SER A 26 -8.357 -6.878 5.226 1.00 0.00 C ATOM 387 OG SER A 26 -9.193 -8.028 5.171 1.00 0.00 O ATOM 0 H SER A 26 -9.664 -6.576 3.382 1.00 0.00 H new ATOM 0 HA SER A 26 -9.830 -5.475 5.944 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.618 -6.926 4.426 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.808 -6.871 6.168 1.00 0.00 H new ATOM 0 HG SER A 26 -8.644 -8.836 5.255 1.00 0.00 H new ATOM 393 N PHE A 27 -7.355 -4.450 4.011 1.00 0.00 N ATOM 394 CA PHE A 27 -6.329 -3.450 3.765 1.00 0.00 C ATOM 395 C PHE A 27 -6.941 -2.026 3.707 1.00 0.00 C ATOM 396 O PHE A 27 -6.440 -1.119 4.353 1.00 0.00 O ATOM 397 CB PHE A 27 -5.606 -3.822 2.454 1.00 0.00 C ATOM 398 CG PHE A 27 -4.386 -2.993 2.095 1.00 0.00 C ATOM 399 CD1 PHE A 27 -4.505 -1.707 1.598 1.00 0.00 C ATOM 400 CD2 PHE A 27 -3.111 -3.519 2.264 1.00 0.00 C ATOM 401 CE1 PHE A 27 -3.385 -0.961 1.280 1.00 0.00 C ATOM 402 CE2 PHE A 27 -1.988 -2.777 1.948 1.00 0.00 C ATOM 403 CZ PHE A 27 -2.126 -1.497 1.456 1.00 0.00 C ATOM 0 H PHE A 27 -7.364 -5.193 3.312 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.609 -3.438 4.583 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.302 -4.867 2.517 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.322 -3.747 1.636 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.487 -1.280 1.456 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.996 -4.522 2.648 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.496 0.041 0.894 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.004 -3.200 2.087 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.251 -0.915 1.209 1.00 0.00 H new ATOM 413 N LYS A 28 -8.038 -1.869 2.952 1.00 0.00 N ATOM 414 CA LYS A 28 -8.766 -0.585 2.830 1.00 0.00 C ATOM 415 C LYS A 28 -9.150 -0.049 4.214 1.00 0.00 C ATOM 416 O LYS A 28 -8.866 1.094 4.559 1.00 0.00 O ATOM 417 CB LYS A 28 -10.043 -0.769 1.976 1.00 0.00 C ATOM 418 CG LYS A 28 -9.801 -1.105 0.506 1.00 0.00 C ATOM 419 CD LYS A 28 -11.098 -1.532 -0.194 1.00 0.00 C ATOM 420 CE LYS A 28 -10.840 -1.922 -1.644 1.00 0.00 C ATOM 421 NZ LYS A 28 -12.041 -2.465 -2.320 1.00 0.00 N ATOM 0 H LYS A 28 -8.451 -2.625 2.406 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.107 0.133 2.341 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.645 -1.562 2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.632 0.147 2.030 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.381 -0.237 -0.002 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.065 -1.906 0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.541 -2.374 0.338 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.820 -0.716 -0.157 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.485 -1.049 -2.192 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.043 -2.665 -1.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.998 -2.244 -3.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.075 -3.496 -2.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.895 -2.036 -1.909 1.00 0.00 H new ATOM 435 N SER A 29 -9.758 -0.903 4.997 1.00 0.00 N ATOM 436 CA SER A 29 -10.188 -0.598 6.314 1.00 0.00 C ATOM 437 C SER A 29 -9.023 -0.276 7.251 1.00 0.00 C ATOM 438 O SER A 29 -9.042 0.721 7.971 1.00 0.00 O ATOM 439 CB SER A 29 -10.924 -1.796 6.794 1.00 0.00 C ATOM 440 OG SER A 29 -12.155 -1.947 6.106 1.00 0.00 O ATOM 0 H SER A 29 -9.969 -1.860 4.714 1.00 0.00 H new ATOM 0 HA SER A 29 -10.814 0.294 6.306 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.311 -2.686 6.649 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.110 -1.708 7.864 1.00 0.00 H new ATOM 0 HG SER A 29 -12.024 -2.522 5.323 1.00 0.00 H new ATOM 446 N LEU A 30 -8.045 -1.123 7.242 1.00 0.00 N ATOM 447 CA LEU A 30 -6.851 -0.979 8.065 1.00 0.00 C ATOM 448 C LEU A 30 -6.056 0.275 7.717 1.00 0.00 C ATOM 449 O LEU A 30 -5.465 0.906 8.597 1.00 0.00 O ATOM 450 CB LEU A 30 -5.981 -2.205 7.918 1.00 0.00 C ATOM 451 CG LEU A 30 -6.618 -3.516 8.354 1.00 0.00 C ATOM 452 CD1 LEU A 30 -5.744 -4.657 7.941 1.00 0.00 C ATOM 453 CD2 LEU A 30 -6.809 -3.547 9.846 1.00 0.00 C ATOM 0 H LEU A 30 -8.038 -1.958 6.656 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.174 -0.876 9.101 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.684 -2.295 6.873 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.070 -2.054 8.496 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.594 -3.603 7.876 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.200 -5.596 8.253 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.628 -4.653 6.857 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.766 -4.555 8.411 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.266 -4.494 10.135 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.842 -3.446 10.339 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.458 -2.724 10.147 1.00 0.00 H new ATOM 465 N LEU A 31 -6.046 0.659 6.447 1.00 0.00 N ATOM 466 CA LEU A 31 -5.324 1.851 6.048 1.00 0.00 C ATOM 467 C LEU A 31 -6.087 3.070 6.523 1.00 0.00 C ATOM 468 O LEU A 31 -5.530 4.103 6.788 1.00 0.00 O ATOM 469 CB LEU A 31 -5.034 1.861 4.513 1.00 0.00 C ATOM 470 CG LEU A 31 -6.123 2.339 3.528 1.00 0.00 C ATOM 471 CD1 LEU A 31 -6.133 3.856 3.417 1.00 0.00 C ATOM 472 CD2 LEU A 31 -5.909 1.716 2.163 1.00 0.00 C ATOM 0 H LEU A 31 -6.522 0.169 5.690 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.342 1.864 6.522 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.155 2.485 4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.761 0.845 4.227 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.091 2.020 3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.909 4.164 2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.334 4.291 4.396 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.163 4.201 3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.684 2.062 1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.931 2.007 1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.958 0.630 2.247 1.00 0.00 H new ATOM 484 N TRP A 32 -7.358 2.894 6.737 1.00 0.00 N ATOM 485 CA TRP A 32 -8.204 3.963 7.187 1.00 0.00 C ATOM 486 C TRP A 32 -7.970 4.226 8.688 1.00 0.00 C ATOM 487 O TRP A 32 -8.572 5.121 9.279 1.00 0.00 O ATOM 488 CB TRP A 32 -9.660 3.591 6.916 1.00 0.00 C ATOM 489 CG TRP A 32 -10.447 4.714 6.372 1.00 0.00 C ATOM 490 CD1 TRP A 32 -11.460 5.389 6.972 1.00 0.00 C ATOM 491 CD2 TRP A 32 -10.262 5.303 5.098 1.00 0.00 C ATOM 492 NE1 TRP A 32 -11.924 6.366 6.136 1.00 0.00 N ATOM 493 CE2 TRP A 32 -11.201 6.334 4.974 1.00 0.00 C ATOM 494 CE3 TRP A 32 -9.384 5.050 4.044 1.00 0.00 C ATOM 495 CZ2 TRP A 32 -11.293 7.120 3.834 1.00 0.00 C ATOM 496 CZ3 TRP A 32 -9.474 5.830 2.916 1.00 0.00 C ATOM 497 CH2 TRP A 32 -10.422 6.854 2.817 1.00 0.00 C ATOM 0 H TRP A 32 -7.839 2.004 6.605 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.966 4.879 6.646 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.692 2.758 6.214 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -10.120 3.246 7.842 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -11.842 5.185 7.961 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -12.685 7.013 6.344 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.651 4.260 4.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -12.024 7.911 3.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -8.801 5.649 2.091 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -10.466 7.447 1.916 1.00 0.00 H new ATOM 508 N ALA A 33 -7.086 3.436 9.282 1.00 0.00 N ATOM 509 CA ALA A 33 -6.765 3.541 10.681 1.00 0.00 C ATOM 510 C ALA A 33 -5.444 4.280 10.928 1.00 0.00 C ATOM 511 O ALA A 33 -5.170 4.678 12.066 1.00 0.00 O ATOM 512 CB ALA A 33 -6.705 2.162 11.305 1.00 0.00 C ATOM 0 H ALA A 33 -6.573 2.702 8.794 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.557 4.127 11.147 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.461 2.252 12.364 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.672 1.671 11.196 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.938 1.570 10.805 1.00 0.00 H new ATOM 518 N PHE A 34 -4.625 4.490 9.888 1.00 0.00 N ATOM 519 CA PHE A 34 -3.345 5.143 10.105 1.00 0.00 C ATOM 520 C PHE A 34 -3.562 6.623 10.418 1.00 0.00 C ATOM 521 O PHE A 34 -4.634 7.155 10.135 1.00 0.00 O ATOM 522 CB PHE A 34 -2.339 4.932 8.911 1.00 0.00 C ATOM 523 CG PHE A 34 -2.637 5.625 7.581 1.00 0.00 C ATOM 524 CD1 PHE A 34 -2.743 7.010 7.488 1.00 0.00 C ATOM 525 CD2 PHE A 34 -2.804 4.883 6.430 1.00 0.00 C ATOM 526 CE1 PHE A 34 -3.018 7.623 6.292 1.00 0.00 C ATOM 527 CE2 PHE A 34 -3.085 5.499 5.225 1.00 0.00 C ATOM 528 CZ PHE A 34 -3.194 6.871 5.163 1.00 0.00 C ATOM 0 H PHE A 34 -4.823 4.225 8.923 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.874 4.670 10.967 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.354 5.261 9.244 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.270 3.861 8.720 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.606 7.613 8.374 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.714 3.808 6.471 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.096 8.699 6.242 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.219 4.905 4.333 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.418 7.353 4.223 1.00 0.00 H new ATOM 672 N THR A 43 -8.299 10.947 1.166 1.00 0.00 N ATOM 673 CA THR A 43 -8.047 9.654 0.525 1.00 0.00 C ATOM 674 C THR A 43 -9.286 9.151 -0.255 1.00 0.00 C ATOM 675 O THR A 43 -10.275 8.757 0.336 1.00 0.00 O ATOM 676 CB THR A 43 -7.535 8.598 1.536 1.00 0.00 C ATOM 677 OG1 THR A 43 -6.410 9.145 2.249 1.00 0.00 O ATOM 678 CG2 THR A 43 -7.066 7.344 0.806 1.00 0.00 C ATOM 0 HA THR A 43 -7.250 9.808 -0.203 1.00 0.00 H new ATOM 0 HB THR A 43 -8.347 8.342 2.217 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.541 10.108 2.377 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.710 6.613 1.531 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.896 6.920 0.241 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.257 7.602 0.123 1.00 0.00 H new ATOM 686 N PRO A 44 -9.254 9.188 -1.606 1.00 0.00 N ATOM 687 CA PRO A 44 -10.413 8.809 -2.428 1.00 0.00 C ATOM 688 C PRO A 44 -10.820 7.326 -2.298 1.00 0.00 C ATOM 689 O PRO A 44 -10.424 6.480 -3.110 1.00 0.00 O ATOM 690 CB PRO A 44 -9.970 9.134 -3.859 1.00 0.00 C ATOM 691 CG PRO A 44 -8.479 9.086 -3.805 1.00 0.00 C ATOM 692 CD PRO A 44 -8.103 9.605 -2.449 1.00 0.00 C ATOM 0 HA PRO A 44 -11.305 9.348 -2.109 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.365 8.410 -4.572 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.325 10.116 -4.172 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.115 8.069 -3.949 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.039 9.697 -4.593 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.166 9.174 -2.096 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.975 10.687 -2.451 1.00 0.00 H new ATOM 700 N TRP A 45 -11.600 7.029 -1.262 1.00 0.00 N ATOM 701 CA TRP A 45 -12.107 5.698 -0.978 1.00 0.00 C ATOM 702 C TRP A 45 -12.942 5.196 -2.150 1.00 0.00 C ATOM 703 O TRP A 45 -12.921 4.017 -2.474 1.00 0.00 O ATOM 704 CB TRP A 45 -12.938 5.697 0.336 1.00 0.00 C ATOM 705 CG TRP A 45 -13.554 4.358 0.686 1.00 0.00 C ATOM 706 CD1 TRP A 45 -14.704 3.839 0.173 1.00 0.00 C ATOM 707 CD2 TRP A 45 -13.069 3.384 1.625 1.00 0.00 C ATOM 708 NE1 TRP A 45 -14.953 2.608 0.707 1.00 0.00 N ATOM 709 CE2 TRP A 45 -13.970 2.301 1.599 1.00 0.00 C ATOM 710 CE3 TRP A 45 -11.964 3.313 2.476 1.00 0.00 C ATOM 711 CZ2 TRP A 45 -13.799 1.171 2.382 1.00 0.00 C ATOM 712 CZ3 TRP A 45 -11.801 2.190 3.255 1.00 0.00 C ATOM 713 CH2 TRP A 45 -12.712 1.131 3.203 1.00 0.00 C ATOM 0 H TRP A 45 -11.902 7.727 -0.583 1.00 0.00 H new ATOM 0 HA TRP A 45 -11.263 5.023 -0.841 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -12.296 6.014 1.158 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -13.733 6.437 0.249 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -15.331 4.333 -0.555 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -15.748 2.013 0.475 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -11.251 4.123 2.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.502 0.352 2.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -10.952 2.126 3.920 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.551 0.264 3.826 1.00 0.00 H new ATOM 724 N SER A 46 -13.638 6.100 -2.803 1.00 0.00 N ATOM 725 CA SER A 46 -14.443 5.759 -3.961 1.00 0.00 C ATOM 726 C SER A 46 -13.557 5.140 -5.058 1.00 0.00 C ATOM 727 O SER A 46 -13.972 4.227 -5.778 1.00 0.00 O ATOM 728 CB SER A 46 -15.133 7.017 -4.461 1.00 0.00 C ATOM 729 OG SER A 46 -15.745 7.703 -3.377 1.00 0.00 O ATOM 0 H SER A 46 -13.664 7.088 -2.550 1.00 0.00 H new ATOM 0 HA SER A 46 -15.198 5.021 -3.689 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.409 7.668 -4.951 1.00 0.00 H new ATOM 0 HB3 SER A 46 -15.884 6.757 -5.207 1.00 0.00 H new ATOM 0 HG SER A 46 -16.185 8.513 -3.709 1.00 0.00 H new ATOM 735 N GLU A 47 -12.323 5.600 -5.143 1.00 0.00 N ATOM 736 CA GLU A 47 -11.401 5.059 -6.095 1.00 0.00 C ATOM 737 C GLU A 47 -10.768 3.800 -5.574 1.00 0.00 C ATOM 738 O GLU A 47 -10.567 2.866 -6.334 1.00 0.00 O ATOM 739 CB GLU A 47 -10.345 6.058 -6.519 1.00 0.00 C ATOM 740 CG GLU A 47 -10.910 7.225 -7.302 1.00 0.00 C ATOM 741 CD GLU A 47 -9.840 8.026 -7.974 1.00 0.00 C ATOM 742 OE1 GLU A 47 -9.273 7.543 -8.980 1.00 0.00 O ATOM 743 OE2 GLU A 47 -9.558 9.160 -7.551 1.00 0.00 O ATOM 0 H GLU A 47 -11.946 6.347 -4.560 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.979 4.816 -6.986 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.835 6.436 -5.633 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.596 5.550 -7.126 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.608 6.853 -8.052 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.477 7.870 -6.631 1.00 0.00 H new ATOM 750 N VAL A 48 -10.497 3.756 -4.264 1.00 0.00 N ATOM 751 CA VAL A 48 -9.868 2.579 -3.649 1.00 0.00 C ATOM 752 C VAL A 48 -10.821 1.381 -3.726 1.00 0.00 C ATOM 753 O VAL A 48 -10.394 0.238 -3.845 1.00 0.00 O ATOM 754 CB VAL A 48 -9.414 2.809 -2.149 1.00 0.00 C ATOM 755 CG1 VAL A 48 -8.749 4.144 -1.951 1.00 0.00 C ATOM 756 CG2 VAL A 48 -10.514 2.563 -1.114 1.00 0.00 C ATOM 0 H VAL A 48 -10.701 4.515 -3.613 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.959 2.383 -4.218 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.666 2.038 -1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.456 4.253 -0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.864 4.207 -2.584 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.444 4.940 -2.218 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.119 2.743 -0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.348 3.239 -1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.859 1.532 -1.188 1.00 0.00 H new ATOM 766 N GLU A 49 -12.117 1.676 -3.679 1.00 0.00 N ATOM 767 CA GLU A 49 -13.141 0.688 -3.753 1.00 0.00 C ATOM 768 C GLU A 49 -13.178 -0.006 -5.032 1.00 0.00 C ATOM 769 O GLU A 49 -13.275 -1.228 -5.081 1.00 0.00 O ATOM 770 CB GLU A 49 -14.475 1.276 -3.449 1.00 0.00 C ATOM 771 CG GLU A 49 -14.866 0.926 -2.078 1.00 0.00 C ATOM 772 CD GLU A 49 -15.278 -0.517 -1.904 1.00 0.00 C ATOM 773 OE1 GLU A 49 -14.425 -1.414 -2.021 1.00 0.00 O ATOM 774 OE2 GLU A 49 -16.461 -0.778 -1.653 1.00 0.00 O ATOM 0 H GLU A 49 -12.471 2.628 -3.587 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.895 -0.056 -2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.441 2.359 -3.563 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.217 0.905 -4.156 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.032 1.138 -1.408 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.692 1.568 -1.772 1.00 0.00 H new ATOM 781 N GLU A 50 -13.063 0.737 -6.075 1.00 0.00 N ATOM 782 CA GLU A 50 -13.174 0.142 -7.344 1.00 0.00 C ATOM 783 C GLU A 50 -11.793 -0.184 -7.921 1.00 0.00 C ATOM 784 O GLU A 50 -11.648 -0.546 -9.096 1.00 0.00 O ATOM 785 CB GLU A 50 -14.001 0.991 -8.276 1.00 0.00 C ATOM 786 CG GLU A 50 -15.407 1.249 -7.758 1.00 0.00 C ATOM 787 CD GLU A 50 -16.248 2.034 -8.716 1.00 0.00 C ATOM 788 OE1 GLU A 50 -15.990 3.234 -8.908 1.00 0.00 O ATOM 789 OE2 GLU A 50 -17.206 1.479 -9.277 1.00 0.00 O ATOM 0 H GLU A 50 -12.895 1.743 -6.069 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.703 -0.805 -7.231 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.497 1.945 -8.432 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.062 0.500 -9.247 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.894 0.295 -7.553 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.347 1.786 -6.811 1.00 0.00 H new ATOM 796 N ALA A 51 -10.803 -0.044 -7.080 1.00 0.00 N ATOM 797 CA ALA A 51 -9.431 -0.358 -7.388 1.00 0.00 C ATOM 798 C ALA A 51 -9.123 -1.702 -6.845 1.00 0.00 C ATOM 799 O ALA A 51 -9.844 -2.220 -5.982 1.00 0.00 O ATOM 800 CB ALA A 51 -8.491 0.636 -6.739 1.00 0.00 C ATOM 0 H ALA A 51 -10.933 0.303 -6.130 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.298 -0.323 -8.469 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.461 0.378 -6.986 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.712 1.638 -7.106 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.622 0.608 -5.657 1.00 0.00 H new ATOM 806 N ASP A 52 -8.071 -2.256 -7.323 1.00 0.00 N ATOM 807 CA ASP A 52 -7.607 -3.522 -6.887 1.00 0.00 C ATOM 808 C ASP A 52 -6.161 -3.601 -7.209 1.00 0.00 C ATOM 809 O ASP A 52 -5.722 -2.946 -8.159 1.00 0.00 O ATOM 810 CB ASP A 52 -8.358 -4.662 -7.583 1.00 0.00 C ATOM 811 CG ASP A 52 -8.119 -4.710 -9.077 1.00 0.00 C ATOM 812 OD1 ASP A 52 -8.840 -4.034 -9.838 1.00 0.00 O ATOM 813 OD2 ASP A 52 -7.229 -5.440 -9.526 1.00 0.00 O ATOM 0 H ASP A 52 -7.493 -1.831 -8.048 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.779 -3.627 -5.816 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.053 -5.611 -7.142 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.426 -4.552 -7.396 1.00 0.00 H new ATOM 818 N GLY A 53 -5.424 -4.313 -6.370 1.00 0.00 N ATOM 819 CA GLY A 53 -4.014 -4.595 -6.577 1.00 0.00 C ATOM 820 C GLY A 53 -3.183 -3.409 -7.023 1.00 0.00 C ATOM 821 O GLY A 53 -2.884 -2.505 -6.233 1.00 0.00 O ATOM 0 H GLY A 53 -5.797 -4.718 -5.511 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.596 -4.984 -5.648 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.922 -5.385 -7.323 1.00 0.00 H new ATOM 825 N LYS A 54 -2.874 -3.402 -8.314 1.00 0.00 N ATOM 826 CA LYS A 54 -2.027 -2.392 -8.940 1.00 0.00 C ATOM 827 C LYS A 54 -2.624 -1.035 -8.735 1.00 0.00 C ATOM 828 O LYS A 54 -1.961 -0.123 -8.250 1.00 0.00 O ATOM 829 CB LYS A 54 -1.900 -2.699 -10.442 1.00 0.00 C ATOM 830 CG LYS A 54 -0.731 -2.035 -11.205 1.00 0.00 C ATOM 831 CD LYS A 54 -0.969 -0.624 -11.809 1.00 0.00 C ATOM 832 CE LYS A 54 -0.646 0.490 -10.830 1.00 0.00 C ATOM 833 NZ LYS A 54 -0.455 1.815 -11.474 1.00 0.00 N ATOM 0 H LYS A 54 -3.210 -4.110 -8.967 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.036 -2.409 -8.486 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.809 -3.779 -10.559 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.830 -2.403 -10.927 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.118 -1.969 -10.525 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.439 -2.702 -12.016 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.356 -0.507 -12.703 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.009 -0.537 -12.122 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.451 0.564 -10.099 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.259 0.229 -10.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.049 2.449 -10.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.102 1.701 -12.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.382 2.225 -11.707 1.00 0.00 H new ATOM 847 N LYS A 55 -3.881 -0.911 -9.061 1.00 0.00 N ATOM 848 CA LYS A 55 -4.568 0.350 -8.957 1.00 0.00 C ATOM 849 C LYS A 55 -4.543 0.932 -7.566 1.00 0.00 C ATOM 850 O LYS A 55 -4.454 2.136 -7.413 1.00 0.00 O ATOM 851 CB LYS A 55 -5.987 0.271 -9.445 1.00 0.00 C ATOM 852 CG LYS A 55 -6.150 0.526 -10.919 1.00 0.00 C ATOM 853 CD LYS A 55 -5.872 1.984 -11.314 1.00 0.00 C ATOM 854 CE LYS A 55 -6.829 2.957 -10.628 1.00 0.00 C ATOM 855 NZ LYS A 55 -6.659 4.339 -11.112 1.00 0.00 N ATOM 0 H LYS A 55 -4.458 -1.678 -9.406 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.010 1.022 -9.608 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.384 -0.717 -9.213 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.589 0.994 -8.894 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.476 -0.128 -11.471 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.165 0.263 -11.217 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.845 2.241 -11.052 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.961 2.090 -12.395 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.856 2.637 -10.802 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.664 2.928 -9.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.242 4.982 -10.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.659 4.614 -11.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.956 4.397 -12.107 1.00 0.00 H new ATOM 869 N LEU A 56 -4.597 0.081 -6.561 1.00 0.00 N ATOM 870 CA LEU A 56 -4.585 0.560 -5.205 1.00 0.00 C ATOM 871 C LEU A 56 -3.227 1.178 -4.878 1.00 0.00 C ATOM 872 O LEU A 56 -3.153 2.234 -4.263 1.00 0.00 O ATOM 873 CB LEU A 56 -4.943 -0.541 -4.215 1.00 0.00 C ATOM 874 CG LEU A 56 -5.081 -0.084 -2.755 1.00 0.00 C ATOM 875 CD1 LEU A 56 -6.195 0.940 -2.604 1.00 0.00 C ATOM 876 CD2 LEU A 56 -5.328 -1.257 -1.853 1.00 0.00 C ATOM 0 H LEU A 56 -4.649 -0.933 -6.661 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.350 1.331 -5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.882 -0.998 -4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.179 -1.317 -4.266 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.142 0.388 -2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.270 1.245 -1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.975 1.811 -3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.140 0.499 -2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.423 -0.911 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.248 -1.759 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.493 -1.954 -1.926 1.00 0.00 H new ATOM 888 N ALA A 57 -2.163 0.543 -5.367 1.00 0.00 N ATOM 889 CA ALA A 57 -0.789 1.031 -5.176 1.00 0.00 C ATOM 890 C ALA A 57 -0.623 2.420 -5.791 1.00 0.00 C ATOM 891 O ALA A 57 0.094 3.276 -5.268 1.00 0.00 O ATOM 892 CB ALA A 57 0.199 0.068 -5.818 1.00 0.00 C ATOM 0 H ALA A 57 -2.223 -0.321 -5.905 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.591 1.093 -4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.214 0.437 -5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.100 -0.915 -5.358 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.009 -0.009 -6.885 1.00 0.00 H new ATOM 898 N GLU A 58 -1.341 2.634 -6.871 1.00 0.00 N ATOM 899 CA GLU A 58 -1.317 3.874 -7.612 1.00 0.00 C ATOM 900 C GLU A 58 -1.971 4.987 -6.783 1.00 0.00 C ATOM 901 O GLU A 58 -1.552 6.146 -6.815 1.00 0.00 O ATOM 902 CB GLU A 58 -2.067 3.658 -8.917 1.00 0.00 C ATOM 903 CG GLU A 58 -2.071 4.822 -9.868 1.00 0.00 C ATOM 904 CD GLU A 58 -2.846 4.491 -11.100 1.00 0.00 C ATOM 905 OE1 GLU A 58 -2.293 3.836 -12.003 1.00 0.00 O ATOM 906 OE2 GLU A 58 -4.038 4.852 -11.183 1.00 0.00 O ATOM 0 H GLU A 58 -1.971 1.936 -7.266 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.291 4.175 -7.826 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.632 2.798 -9.426 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.100 3.401 -8.683 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.507 5.695 -9.381 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.047 5.084 -10.135 1.00 0.00 H new ATOM 913 N ILE A 59 -2.977 4.612 -6.026 1.00 0.00 N ATOM 914 CA ILE A 59 -3.683 5.531 -5.165 1.00 0.00 C ATOM 915 C ILE A 59 -2.809 5.878 -3.952 1.00 0.00 C ATOM 916 O ILE A 59 -2.770 7.032 -3.506 1.00 0.00 O ATOM 917 CB ILE A 59 -5.037 4.918 -4.738 1.00 0.00 C ATOM 918 CG1 ILE A 59 -5.844 4.628 -6.003 1.00 0.00 C ATOM 919 CG2 ILE A 59 -5.801 5.881 -3.824 1.00 0.00 C ATOM 920 CD1 ILE A 59 -6.987 3.680 -5.831 1.00 0.00 C ATOM 0 H ILE A 59 -3.330 3.656 -5.991 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.893 6.455 -5.703 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.870 3.997 -4.179 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.231 5.570 -6.391 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.170 4.225 -6.759 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.751 5.431 -3.535 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.208 6.083 -2.932 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.988 6.815 -4.354 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.493 3.543 -6.787 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.613 2.719 -5.477 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.690 4.086 -5.103 1.00 0.00 H new ATOM 932 N LEU A 60 -2.072 4.885 -3.459 1.00 0.00 N ATOM 933 CA LEU A 60 -1.122 5.098 -2.367 1.00 0.00 C ATOM 934 C LEU A 60 -0.037 6.090 -2.770 1.00 0.00 C ATOM 935 O LEU A 60 0.220 7.053 -2.051 1.00 0.00 O ATOM 936 CB LEU A 60 -0.480 3.776 -1.865 1.00 0.00 C ATOM 937 CG LEU A 60 -1.224 2.965 -0.768 1.00 0.00 C ATOM 938 CD1 LEU A 60 -1.367 3.771 0.513 1.00 0.00 C ATOM 939 CD2 LEU A 60 -2.578 2.469 -1.235 1.00 0.00 C ATOM 0 H LEU A 60 -2.114 3.924 -3.798 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.695 5.515 -1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.346 3.123 -2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.515 4.012 -1.487 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.609 2.089 -0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.892 3.176 1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.379 4.036 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.934 4.680 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.057 1.908 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.203 3.320 -1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.449 1.822 -2.102 1.00 0.00 H new ATOM 951 N VAL A 61 0.572 5.888 -3.938 1.00 0.00 N ATOM 952 CA VAL A 61 1.637 6.790 -4.390 1.00 0.00 C ATOM 953 C VAL A 61 1.092 8.168 -4.760 1.00 0.00 C ATOM 954 O VAL A 61 1.821 9.161 -4.744 1.00 0.00 O ATOM 955 CB VAL A 61 2.500 6.211 -5.559 1.00 0.00 C ATOM 956 CG1 VAL A 61 3.176 4.918 -5.147 1.00 0.00 C ATOM 957 CG2 VAL A 61 1.682 6.006 -6.824 1.00 0.00 C ATOM 0 H VAL A 61 0.354 5.125 -4.579 1.00 0.00 H new ATOM 0 HA VAL A 61 2.304 6.894 -3.534 1.00 0.00 H new ATOM 0 HB VAL A 61 3.270 6.949 -5.783 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.770 4.537 -5.978 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.826 5.104 -4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.419 4.183 -4.874 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.321 5.603 -7.609 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.870 5.307 -6.623 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.268 6.961 -7.148 1.00 0.00 H new ATOM 967 N ASN A 62 -0.188 8.225 -5.072 1.00 0.00 N ATOM 968 CA ASN A 62 -0.851 9.478 -5.413 1.00 0.00 C ATOM 969 C ASN A 62 -0.852 10.437 -4.220 1.00 0.00 C ATOM 970 O ASN A 62 -0.570 11.637 -4.361 1.00 0.00 O ATOM 971 CB ASN A 62 -2.296 9.211 -5.897 1.00 0.00 C ATOM 972 CG ASN A 62 -3.112 10.477 -6.159 1.00 0.00 C ATOM 973 OD1 ASN A 62 -2.575 11.525 -6.527 1.00 0.00 O ATOM 974 ND2 ASN A 62 -4.413 10.377 -6.006 1.00 0.00 N ATOM 0 H ASN A 62 -0.800 7.409 -5.098 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.295 9.948 -6.224 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.258 8.621 -6.813 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.812 8.607 -5.150 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.012 11.181 -6.193 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.824 9.495 -5.700 1.00 0.00 H new ATOM 981 N THR A 63 -1.102 9.914 -3.050 1.00 0.00 N ATOM 982 CA THR A 63 -1.218 10.746 -1.880 1.00 0.00 C ATOM 983 C THR A 63 0.007 10.666 -0.955 1.00 0.00 C ATOM 984 O THR A 63 0.469 11.678 -0.425 1.00 0.00 O ATOM 985 CB THR A 63 -2.483 10.367 -1.113 1.00 0.00 C ATOM 986 OG1 THR A 63 -2.479 8.942 -0.893 1.00 0.00 O ATOM 987 CG2 THR A 63 -3.722 10.747 -1.904 1.00 0.00 C ATOM 0 H THR A 63 -1.229 8.916 -2.880 1.00 0.00 H new ATOM 0 HA THR A 63 -1.276 11.779 -2.223 1.00 0.00 H new ATOM 0 HB THR A 63 -2.499 10.901 -0.163 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.286 8.685 -0.400 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.613 10.469 -1.341 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.725 11.823 -2.080 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.719 10.223 -2.860 1.00 0.00 H new ATOM 995 N SER A 64 0.550 9.504 -0.791 1.00 0.00 N ATOM 996 CA SER A 64 1.622 9.316 0.144 1.00 0.00 C ATOM 997 C SER A 64 2.979 9.443 -0.532 1.00 0.00 C ATOM 998 O SER A 64 3.123 9.168 -1.740 1.00 0.00 O ATOM 999 CB SER A 64 1.480 7.943 0.769 1.00 0.00 C ATOM 1000 OG SER A 64 0.177 7.756 1.284 1.00 0.00 O ATOM 0 H SER A 64 0.270 8.662 -1.294 1.00 0.00 H new ATOM 0 HA SER A 64 1.565 10.090 0.909 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.695 7.176 0.025 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.212 7.825 1.568 1.00 0.00 H new ATOM 0 HG SER A 64 0.233 7.488 2.225 1.00 0.00 H new ATOM 1006 N SER A 65 3.957 9.902 0.222 1.00 0.00 N ATOM 1007 CA SER A 65 5.317 9.937 -0.236 1.00 0.00 C ATOM 1008 C SER A 65 5.792 8.484 -0.333 1.00 0.00 C ATOM 1009 O SER A 65 5.453 7.676 0.535 1.00 0.00 O ATOM 1010 CB SER A 65 6.164 10.694 0.781 1.00 0.00 C ATOM 1011 OG SER A 65 5.619 11.988 1.061 1.00 0.00 O ATOM 0 H SER A 65 3.824 10.259 1.168 1.00 0.00 H new ATOM 0 HA SER A 65 5.403 10.436 -1.202 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.227 10.118 1.704 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.180 10.801 0.402 1.00 0.00 H new ATOM 0 HG SER A 65 6.184 12.446 1.717 1.00 0.00 H new ATOM 1017 N GLU A 66 6.552 8.152 -1.354 1.00 0.00 N ATOM 1018 CA GLU A 66 6.970 6.764 -1.579 1.00 0.00 C ATOM 1019 C GLU A 66 7.728 6.170 -0.389 1.00 0.00 C ATOM 1020 O GLU A 66 7.478 5.041 0.007 1.00 0.00 O ATOM 1021 CB GLU A 66 7.768 6.615 -2.881 1.00 0.00 C ATOM 1022 CG GLU A 66 9.079 7.380 -2.931 1.00 0.00 C ATOM 1023 CD GLU A 66 9.801 7.203 -4.238 1.00 0.00 C ATOM 1024 OE1 GLU A 66 9.398 7.840 -5.237 1.00 0.00 O ATOM 1025 OE2 GLU A 66 10.782 6.420 -4.297 1.00 0.00 O ATOM 0 H GLU A 66 6.899 8.815 -2.047 1.00 0.00 H new ATOM 0 HA GLU A 66 6.052 6.185 -1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.978 5.557 -3.040 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.142 6.944 -3.711 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.884 8.440 -2.769 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.722 7.046 -2.117 1.00 0.00 H new ATOM 1032 N ASN A 67 8.575 6.961 0.239 1.00 0.00 N ATOM 1033 CA ASN A 67 9.388 6.453 1.343 1.00 0.00 C ATOM 1034 C ASN A 67 8.549 6.400 2.647 1.00 0.00 C ATOM 1035 O ASN A 67 8.964 5.861 3.660 1.00 0.00 O ATOM 1036 CB ASN A 67 10.647 7.319 1.521 1.00 0.00 C ATOM 1037 CG ASN A 67 11.813 6.567 2.159 1.00 0.00 C ATOM 1038 OD1 ASN A 67 11.635 5.629 2.905 1.00 0.00 O ATOM 1039 ND2 ASN A 67 13.014 6.982 1.868 1.00 0.00 N ATOM 0 H ASN A 67 8.723 7.945 0.014 1.00 0.00 H new ATOM 0 HA ASN A 67 9.710 5.438 1.110 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.958 7.700 0.548 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.401 8.183 2.137 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.826 6.515 2.271 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.141 7.774 1.238 1.00 0.00 H new ATOM 1046 N TRP A 68 7.350 6.945 2.591 1.00 0.00 N ATOM 1047 CA TRP A 68 6.420 6.932 3.723 1.00 0.00 C ATOM 1048 C TRP A 68 5.610 5.651 3.640 1.00 0.00 C ATOM 1049 O TRP A 68 5.291 5.009 4.652 1.00 0.00 O ATOM 1050 CB TRP A 68 5.488 8.154 3.620 1.00 0.00 C ATOM 1051 CG TRP A 68 4.539 8.375 4.767 1.00 0.00 C ATOM 1052 CD1 TRP A 68 4.778 9.117 5.876 1.00 0.00 C ATOM 1053 CD2 TRP A 68 3.190 7.883 4.904 1.00 0.00 C ATOM 1054 NE1 TRP A 68 3.677 9.130 6.686 1.00 0.00 N ATOM 1055 CE2 TRP A 68 2.691 8.381 6.120 1.00 0.00 C ATOM 1056 CE3 TRP A 68 2.361 7.078 4.122 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 1.403 8.105 6.571 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 1.085 6.803 4.572 1.00 0.00 C ATOM 1059 CH2 TRP A 68 0.618 7.317 5.784 1.00 0.00 C ATOM 0 H TRP A 68 6.984 7.412 1.761 1.00 0.00 H new ATOM 0 HA TRP A 68 6.955 6.976 4.672 1.00 0.00 H new ATOM 0 HB2 TRP A 68 6.106 9.046 3.512 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.902 8.060 2.706 1.00 0.00 H new ATOM 0 HD1 TRP A 68 5.707 9.626 6.089 1.00 0.00 H new ATOM 0 HE1 TRP A 68 3.605 9.624 7.576 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.711 6.677 3.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 1.040 8.500 7.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 0.436 6.179 3.976 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.387 7.085 6.104 1.00 0.00 H new ATOM 1070 N ILE A 69 5.339 5.244 2.407 1.00 0.00 N ATOM 1071 CA ILE A 69 4.545 4.060 2.127 1.00 0.00 C ATOM 1072 C ILE A 69 5.272 2.802 2.613 1.00 0.00 C ATOM 1073 O ILE A 69 4.630 1.786 2.912 1.00 0.00 O ATOM 1074 CB ILE A 69 4.220 3.935 0.607 1.00 0.00 C ATOM 1075 CG1 ILE A 69 3.554 5.210 0.107 1.00 0.00 C ATOM 1076 CG2 ILE A 69 3.293 2.745 0.344 1.00 0.00 C ATOM 1077 CD1 ILE A 69 3.309 5.231 -1.385 1.00 0.00 C ATOM 0 H ILE A 69 5.666 5.729 1.571 1.00 0.00 H new ATOM 0 HA ILE A 69 3.603 4.160 2.666 1.00 0.00 H new ATOM 0 HB ILE A 69 5.157 3.777 0.074 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.602 5.337 0.623 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.178 6.063 0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.080 2.678 -0.723 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.777 1.826 0.676 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.361 2.882 0.892 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.832 6.171 -1.662 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.259 5.137 -1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.659 4.400 -1.659 1.00 0.00 H new ATOM 1089 N ARG A 70 6.609 2.908 2.760 1.00 0.00 N ATOM 1090 CA ARG A 70 7.448 1.789 3.199 1.00 0.00 C ATOM 1091 C ARG A 70 6.979 1.275 4.559 1.00 0.00 C ATOM 1092 O ARG A 70 7.090 0.109 4.854 1.00 0.00 O ATOM 1093 CB ARG A 70 8.949 2.180 3.282 1.00 0.00 C ATOM 1094 CG ARG A 70 9.371 2.881 4.580 1.00 0.00 C ATOM 1095 CD ARG A 70 10.857 3.214 4.621 1.00 0.00 C ATOM 1096 NE ARG A 70 11.277 3.596 5.986 1.00 0.00 N ATOM 1097 CZ ARG A 70 11.965 4.695 6.361 1.00 0.00 C ATOM 1098 NH1 ARG A 70 12.260 5.639 5.489 1.00 0.00 N ATOM 1099 NH2 ARG A 70 12.321 4.839 7.634 1.00 0.00 N ATOM 0 H ARG A 70 7.128 3.767 2.578 1.00 0.00 H new ATOM 0 HA ARG A 70 7.347 1.002 2.452 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.550 1.278 3.163 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.185 2.833 2.442 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.795 3.799 4.694 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.124 2.242 5.428 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.436 2.353 4.286 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.070 4.029 3.930 1.00 0.00 H new ATOM 0 HE ARG A 70 11.016 2.953 6.733 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.968 5.544 4.516 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.781 6.464 5.787 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.074 4.123 8.317 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.841 5.666 7.928 1.00 0.00 H new ATOM 1113 N ASN A 71 6.448 2.171 5.367 1.00 0.00 N ATOM 1114 CA ASN A 71 5.951 1.813 6.673 1.00 0.00 C ATOM 1115 C ASN A 71 4.489 1.493 6.559 1.00 0.00 C ATOM 1116 O ASN A 71 4.038 0.452 7.012 1.00 0.00 O ATOM 1117 CB ASN A 71 6.164 2.971 7.662 1.00 0.00 C ATOM 1118 CG ASN A 71 5.673 2.667 9.081 1.00 0.00 C ATOM 1119 OD1 ASN A 71 6.400 2.094 9.898 1.00 0.00 O ATOM 1120 ND2 ASN A 71 4.476 3.109 9.406 1.00 0.00 N ATOM 0 H ASN A 71 6.351 3.160 5.136 1.00 0.00 H new ATOM 0 HA ASN A 71 6.493 0.944 7.046 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.226 3.215 7.699 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.647 3.855 7.290 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.126 2.982 10.356 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.899 3.579 8.708 1.00 0.00 H new ATOM 1127 N ALA A 72 3.772 2.379 5.872 1.00 0.00 N ATOM 1128 CA ALA A 72 2.328 2.291 5.704 1.00 0.00 C ATOM 1129 C ALA A 72 1.866 0.928 5.206 1.00 0.00 C ATOM 1130 O ALA A 72 1.110 0.250 5.892 1.00 0.00 O ATOM 1131 CB ALA A 72 1.835 3.378 4.771 1.00 0.00 C ATOM 0 H ALA A 72 4.186 3.189 5.411 1.00 0.00 H new ATOM 0 HA ALA A 72 1.894 2.431 6.694 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.754 3.297 4.657 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.084 4.355 5.186 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.312 3.266 3.797 1.00 0.00 H new ATOM 1137 N THR A 73 2.366 0.501 4.050 1.00 0.00 N ATOM 1138 CA THR A 73 1.895 -0.732 3.447 1.00 0.00 C ATOM 1139 C THR A 73 2.305 -1.949 4.283 1.00 0.00 C ATOM 1140 O THR A 73 1.534 -2.901 4.416 1.00 0.00 O ATOM 1141 CB THR A 73 2.349 -0.896 1.949 1.00 0.00 C ATOM 1142 OG1 THR A 73 1.693 -2.021 1.350 1.00 0.00 O ATOM 1143 CG2 THR A 73 3.864 -1.087 1.820 1.00 0.00 C ATOM 0 H THR A 73 3.089 0.988 3.520 1.00 0.00 H new ATOM 0 HA THR A 73 0.807 -0.672 3.435 1.00 0.00 H new ATOM 0 HB THR A 73 2.072 0.024 1.435 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.983 -2.111 0.418 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.129 -1.196 0.768 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.377 -0.220 2.236 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.166 -1.982 2.364 1.00 0.00 H new ATOM 1151 N VAL A 74 3.474 -1.878 4.891 1.00 0.00 N ATOM 1152 CA VAL A 74 3.992 -2.971 5.672 1.00 0.00 C ATOM 1153 C VAL A 74 3.195 -3.133 6.962 1.00 0.00 C ATOM 1154 O VAL A 74 2.811 -4.239 7.317 1.00 0.00 O ATOM 1155 CB VAL A 74 5.506 -2.801 5.962 1.00 0.00 C ATOM 1156 CG1 VAL A 74 5.995 -3.878 6.881 1.00 0.00 C ATOM 1157 CG2 VAL A 74 6.301 -2.863 4.674 1.00 0.00 C ATOM 0 H VAL A 74 4.085 -1.062 4.854 1.00 0.00 H new ATOM 0 HA VAL A 74 3.880 -3.883 5.085 1.00 0.00 H new ATOM 0 HB VAL A 74 5.646 -1.829 6.436 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.059 -3.739 7.071 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.449 -3.828 7.823 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.833 -4.852 6.419 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.362 -2.742 4.895 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.138 -3.827 4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.976 -2.065 4.007 1.00 0.00 H new ATOM 1167 N ASN A 75 2.904 -2.024 7.624 1.00 0.00 N ATOM 1168 CA ASN A 75 2.114 -2.032 8.847 1.00 0.00 C ATOM 1169 C ASN A 75 0.730 -2.584 8.601 1.00 0.00 C ATOM 1170 O ASN A 75 0.184 -3.264 9.452 1.00 0.00 O ATOM 1171 CB ASN A 75 2.025 -0.634 9.471 1.00 0.00 C ATOM 1172 CG ASN A 75 3.293 -0.203 10.188 1.00 0.00 C ATOM 1173 OD1 ASN A 75 4.401 -0.609 9.835 1.00 0.00 O ATOM 1174 ND2 ASN A 75 3.146 0.615 11.203 1.00 0.00 N ATOM 0 H ASN A 75 3.207 -1.095 7.330 1.00 0.00 H new ATOM 0 HA ASN A 75 2.626 -2.686 9.553 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.797 0.090 8.688 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.194 -0.613 10.176 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.963 0.933 11.724 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.215 0.933 11.471 1.00 0.00 H new ATOM 1181 N ILE A 76 0.165 -2.316 7.419 1.00 0.00 N ATOM 1182 CA ILE A 76 -1.143 -2.870 7.082 1.00 0.00 C ATOM 1183 C ILE A 76 -1.023 -4.391 6.974 1.00 0.00 C ATOM 1184 O ILE A 76 -1.819 -5.125 7.543 1.00 0.00 O ATOM 1185 CB ILE A 76 -1.720 -2.323 5.750 1.00 0.00 C ATOM 1186 CG1 ILE A 76 -1.713 -0.785 5.708 1.00 0.00 C ATOM 1187 CG2 ILE A 76 -3.139 -2.838 5.563 1.00 0.00 C ATOM 1188 CD1 ILE A 76 -2.534 -0.103 6.782 1.00 0.00 C ATOM 0 H ILE A 76 0.585 -1.731 6.696 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.828 -2.572 7.876 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.083 -2.676 4.939 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.682 -0.441 5.789 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.081 -0.463 4.734 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.545 -2.454 4.627 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.130 -3.928 5.535 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.760 -2.502 6.393 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.462 0.978 6.664 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.576 -0.409 6.693 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.156 -0.386 7.764 1.00 0.00 H new ATOM 1200 N LEU A 77 0.007 -4.848 6.270 1.00 0.00 N ATOM 1201 CA LEU A 77 0.291 -6.278 6.131 1.00 0.00 C ATOM 1202 C LEU A 77 0.524 -6.927 7.494 1.00 0.00 C ATOM 1203 O LEU A 77 -0.002 -8.002 7.776 1.00 0.00 O ATOM 1204 CB LEU A 77 1.492 -6.498 5.214 1.00 0.00 C ATOM 1205 CG LEU A 77 1.227 -6.406 3.712 1.00 0.00 C ATOM 1206 CD1 LEU A 77 2.328 -5.634 3.013 1.00 0.00 C ATOM 1207 CD2 LEU A 77 1.181 -7.791 3.132 1.00 0.00 C ATOM 0 H LEU A 77 0.667 -4.244 5.781 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.579 -6.754 5.679 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.257 -5.765 5.471 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.909 -7.482 5.428 1.00 0.00 H new ATOM 0 HG LEU A 77 0.278 -5.890 3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.115 -5.583 1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.380 -4.625 3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.282 -6.138 3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.992 -7.731 2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.135 -8.290 3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.383 -8.359 3.610 1.00 0.00 H new ATOM 1219 N GLU A 78 1.278 -6.253 8.343 1.00 0.00 N ATOM 1220 CA GLU A 78 1.540 -6.717 9.697 1.00 0.00 C ATOM 1221 C GLU A 78 0.256 -6.748 10.538 1.00 0.00 C ATOM 1222 O GLU A 78 0.069 -7.641 11.366 1.00 0.00 O ATOM 1223 CB GLU A 78 2.656 -5.888 10.368 1.00 0.00 C ATOM 1224 CG GLU A 78 4.043 -6.165 9.789 1.00 0.00 C ATOM 1225 CD GLU A 78 5.171 -5.469 10.528 1.00 0.00 C ATOM 1226 OE1 GLU A 78 5.504 -5.889 11.652 1.00 0.00 O ATOM 1227 OE2 GLU A 78 5.776 -4.521 9.986 1.00 0.00 O ATOM 0 H GLU A 78 1.728 -5.366 8.115 1.00 0.00 H new ATOM 0 HA GLU A 78 1.901 -7.744 9.633 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.428 -4.828 10.258 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.666 -6.102 11.437 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.223 -7.240 9.802 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.059 -5.852 8.745 1.00 0.00 H new ATOM 1234 N GLU A 79 -0.642 -5.813 10.274 1.00 0.00 N ATOM 1235 CA GLU A 79 -1.943 -5.731 10.943 1.00 0.00 C ATOM 1236 C GLU A 79 -2.837 -6.905 10.462 1.00 0.00 C ATOM 1237 O GLU A 79 -3.738 -7.366 11.175 1.00 0.00 O ATOM 1238 CB GLU A 79 -2.604 -4.380 10.594 1.00 0.00 C ATOM 1239 CG GLU A 79 -3.755 -3.962 11.479 1.00 0.00 C ATOM 1240 CD GLU A 79 -3.353 -3.687 12.894 1.00 0.00 C ATOM 1241 OE1 GLU A 79 -2.787 -2.614 13.159 1.00 0.00 O ATOM 1242 OE2 GLU A 79 -3.645 -4.509 13.778 1.00 0.00 O ATOM 0 H GLU A 79 -0.492 -5.078 9.582 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.816 -5.799 12.023 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.840 -3.603 10.632 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.960 -4.427 9.565 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.218 -3.068 11.061 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.512 -4.746 11.471 1.00 0.00 H new ATOM 1249 N MET A 80 -2.548 -7.393 9.251 1.00 0.00 N ATOM 1250 CA MET A 80 -3.271 -8.525 8.647 1.00 0.00 C ATOM 1251 C MET A 80 -2.590 -9.839 9.017 1.00 0.00 C ATOM 1252 O MET A 80 -3.020 -10.909 8.592 1.00 0.00 O ATOM 1253 CB MET A 80 -3.311 -8.402 7.108 1.00 0.00 C ATOM 1254 CG MET A 80 -4.022 -7.171 6.588 1.00 0.00 C ATOM 1255 SD MET A 80 -3.976 -6.994 4.786 1.00 0.00 S ATOM 1256 CE MET A 80 -4.919 -8.425 4.268 1.00 0.00 C ATOM 0 H MET A 80 -1.807 -7.017 8.659 1.00 0.00 H new ATOM 0 HA MET A 80 -4.291 -8.510 9.032 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.288 -8.400 6.731 1.00 0.00 H new ATOM 0 HB3 MET A 80 -3.800 -9.286 6.699 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.062 -7.201 6.913 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.573 -6.287 7.040 1.00 0.00 H new ATOM 0 HE1 MET A 80 -4.976 -8.449 3.180 1.00 0.00 H new ATOM 0 HE2 MET A 80 -4.431 -9.331 4.626 1.00 0.00 H new ATOM 0 HE3 MET A 80 -5.925 -8.367 4.682 1.00 0.00 H new ATOM 1266 N ASN A 81 -1.499 -9.729 9.787 1.00 0.00 N ATOM 1267 CA ASN A 81 -0.680 -10.874 10.257 1.00 0.00 C ATOM 1268 C ASN A 81 0.040 -11.545 9.064 1.00 0.00 C ATOM 1269 O ASN A 81 0.514 -12.674 9.130 1.00 0.00 O ATOM 1270 CB ASN A 81 -1.544 -11.875 11.092 1.00 0.00 C ATOM 1271 CG ASN A 81 -0.751 -12.961 11.805 1.00 0.00 C ATOM 1272 OD1 ASN A 81 -0.214 -12.750 12.897 1.00 0.00 O ATOM 1273 ND2 ASN A 81 -0.748 -14.121 11.257 1.00 0.00 N ATOM 0 H ASN A 81 -1.147 -8.828 10.111 1.00 0.00 H new ATOM 0 HA ASN A 81 0.095 -10.507 10.930 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.111 -11.313 11.834 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.268 -12.349 10.429 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.292 -14.905 11.724 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.201 -14.260 10.354 1.00 0.00 H new ATOM 1280 N LEU A 82 0.163 -10.800 7.995 1.00 0.00 N ATOM 1281 CA LEU A 82 0.827 -11.262 6.804 1.00 0.00 C ATOM 1282 C LEU A 82 2.313 -11.076 6.969 1.00 0.00 C ATOM 1283 O LEU A 82 2.768 -9.996 7.359 1.00 0.00 O ATOM 1284 CB LEU A 82 0.323 -10.482 5.580 1.00 0.00 C ATOM 1285 CG LEU A 82 -1.126 -10.750 5.157 1.00 0.00 C ATOM 1286 CD1 LEU A 82 -1.554 -9.791 4.064 1.00 0.00 C ATOM 1287 CD2 LEU A 82 -1.255 -12.155 4.643 1.00 0.00 C ATOM 0 H LEU A 82 -0.198 -9.848 7.927 1.00 0.00 H new ATOM 0 HA LEU A 82 0.608 -12.318 6.649 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.429 -9.417 5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.974 -10.710 4.736 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.765 -10.608 6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.585 -10.000 3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.479 -8.767 4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.906 -9.916 3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.287 -12.340 4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.598 -12.290 3.783 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.974 -12.857 5.428 1.00 0.00 H new ATOM 1299 N THR A 83 3.065 -12.104 6.703 1.00 0.00 N ATOM 1300 CA THR A 83 4.490 -12.031 6.844 1.00 0.00 C ATOM 1301 C THR A 83 5.186 -12.255 5.541 1.00 0.00 C ATOM 1302 O THR A 83 5.984 -11.447 5.139 1.00 0.00 O ATOM 1303 CB THR A 83 5.008 -13.023 7.882 1.00 0.00 C ATOM 1304 OG1 THR A 83 4.365 -14.292 7.707 1.00 0.00 O ATOM 1305 CG2 THR A 83 4.779 -12.505 9.270 1.00 0.00 C ATOM 0 H THR A 83 2.713 -13.007 6.386 1.00 0.00 H new ATOM 0 HA THR A 83 4.714 -11.021 7.189 1.00 0.00 H new ATOM 0 HB THR A 83 6.081 -13.149 7.741 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.703 -14.925 8.375 1.00 0.00 H new ATOM 0 HG21 THR A 83 5.155 -13.227 9.995 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.303 -11.558 9.396 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.712 -12.353 9.430 1.00 0.00 H new ATOM 1313 N GLU A 84 4.809 -13.312 4.866 1.00 0.00 N ATOM 1314 CA GLU A 84 5.422 -13.773 3.629 1.00 0.00 C ATOM 1315 C GLU A 84 5.715 -12.621 2.621 1.00 0.00 C ATOM 1316 O GLU A 84 6.874 -12.240 2.422 1.00 0.00 O ATOM 1317 CB GLU A 84 4.567 -14.904 2.993 1.00 0.00 C ATOM 1318 CG GLU A 84 3.040 -14.630 2.931 1.00 0.00 C ATOM 1319 CD GLU A 84 2.257 -15.021 4.172 1.00 0.00 C ATOM 1320 OE1 GLU A 84 2.372 -14.350 5.216 1.00 0.00 O ATOM 1321 OE2 GLU A 84 1.494 -16.018 4.110 1.00 0.00 O ATOM 0 H GLU A 84 4.036 -13.904 5.169 1.00 0.00 H new ATOM 0 HA GLU A 84 6.399 -14.182 3.886 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.928 -15.083 1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.732 -15.822 3.557 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.886 -13.567 2.745 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.626 -15.166 2.077 1.00 0.00 H new ATOM 1328 N LEU A 85 4.682 -12.031 2.068 1.00 0.00 N ATOM 1329 CA LEU A 85 4.839 -10.952 1.112 1.00 0.00 C ATOM 1330 C LEU A 85 5.251 -9.653 1.815 1.00 0.00 C ATOM 1331 O LEU A 85 5.929 -8.816 1.247 1.00 0.00 O ATOM 1332 CB LEU A 85 3.564 -10.756 0.236 1.00 0.00 C ATOM 1333 CG LEU A 85 2.243 -10.296 0.908 1.00 0.00 C ATOM 1334 CD1 LEU A 85 1.189 -10.041 -0.148 1.00 0.00 C ATOM 1335 CD2 LEU A 85 1.707 -11.313 1.909 1.00 0.00 C ATOM 0 H LEU A 85 3.713 -12.281 2.264 1.00 0.00 H new ATOM 0 HA LEU A 85 5.643 -11.232 0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.808 -10.029 -0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.363 -11.702 -0.267 1.00 0.00 H new ATOM 0 HG LEU A 85 2.470 -9.380 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.265 -9.718 0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.536 -9.263 -0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.006 -10.958 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.782 -10.939 2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.511 -12.257 1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.444 -11.472 2.696 1.00 0.00 H new ATOM 1347 N CYS A 86 4.900 -9.539 3.074 1.00 0.00 N ATOM 1348 CA CYS A 86 5.205 -8.359 3.876 1.00 0.00 C ATOM 1349 C CYS A 86 6.716 -8.210 4.064 1.00 0.00 C ATOM 1350 O CYS A 86 7.262 -7.115 4.009 1.00 0.00 O ATOM 1351 CB CYS A 86 4.524 -8.498 5.217 1.00 0.00 C ATOM 1352 SG CYS A 86 4.817 -7.160 6.381 1.00 0.00 S ATOM 0 H CYS A 86 4.391 -10.263 3.582 1.00 0.00 H new ATOM 0 HA CYS A 86 4.841 -7.468 3.365 1.00 0.00 H new ATOM 0 HB2 CYS A 86 3.450 -8.583 5.052 1.00 0.00 H new ATOM 0 HB3 CYS A 86 4.851 -9.432 5.675 1.00 0.00 H new ATOM 0 HG CYS A 86 4.762 -7.621 7.595 1.00 0.00 H new ATOM 1358 N LYS A 87 7.379 -9.318 4.256 1.00 0.00 N ATOM 1359 CA LYS A 87 8.814 -9.351 4.414 1.00 0.00 C ATOM 1360 C LYS A 87 9.502 -9.009 3.108 1.00 0.00 C ATOM 1361 O LYS A 87 10.601 -8.480 3.096 1.00 0.00 O ATOM 1362 CB LYS A 87 9.225 -10.707 4.931 1.00 0.00 C ATOM 1363 CG LYS A 87 8.760 -10.954 6.362 1.00 0.00 C ATOM 1364 CD LYS A 87 8.794 -12.422 6.723 1.00 0.00 C ATOM 1365 CE LYS A 87 10.162 -13.008 6.541 1.00 0.00 C ATOM 1366 NZ LYS A 87 11.156 -12.411 7.464 1.00 0.00 N ATOM 0 H LYS A 87 6.936 -10.235 4.308 1.00 0.00 H new ATOM 0 HA LYS A 87 9.123 -8.599 5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.814 -11.479 4.281 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.310 -10.796 4.885 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.395 -10.396 7.051 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.746 -10.574 6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.479 -12.549 7.759 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.080 -12.965 6.104 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.118 -14.085 6.704 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.487 -12.855 5.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.061 -12.916 7.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.293 -11.408 7.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.812 -12.490 8.442 1.00 0.00 H new ATOM 1380 N MET A 88 8.818 -9.274 2.011 1.00 0.00 N ATOM 1381 CA MET A 88 9.307 -8.891 0.701 1.00 0.00 C ATOM 1382 C MET A 88 9.208 -7.390 0.561 1.00 0.00 C ATOM 1383 O MET A 88 10.092 -6.748 0.025 1.00 0.00 O ATOM 1384 CB MET A 88 8.527 -9.587 -0.416 1.00 0.00 C ATOM 1385 CG MET A 88 8.768 -11.081 -0.489 1.00 0.00 C ATOM 1386 SD MET A 88 10.489 -11.484 -0.855 1.00 0.00 S ATOM 1387 CE MET A 88 10.688 -10.711 -2.466 1.00 0.00 C ATOM 0 H MET A 88 7.919 -9.755 2.002 1.00 0.00 H new ATOM 0 HA MET A 88 10.347 -9.204 0.609 1.00 0.00 H new ATOM 0 HB2 MET A 88 7.462 -9.407 -0.270 1.00 0.00 H new ATOM 0 HB3 MET A 88 8.798 -9.137 -1.371 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.484 -11.539 0.459 1.00 0.00 H new ATOM 0 HG3 MET A 88 8.126 -11.513 -1.256 1.00 0.00 H new ATOM 0 HE1 MET A 88 11.553 -11.141 -2.971 1.00 0.00 H new ATOM 0 HE2 MET A 88 9.794 -10.884 -3.066 1.00 0.00 H new ATOM 0 HE3 MET A 88 10.837 -9.639 -2.339 1.00 0.00 H new ATOM 1397 N ALA A 89 8.146 -6.833 1.108 1.00 0.00 N ATOM 1398 CA ALA A 89 7.941 -5.404 1.106 1.00 0.00 C ATOM 1399 C ALA A 89 9.019 -4.735 1.942 1.00 0.00 C ATOM 1400 O ALA A 89 9.586 -3.720 1.549 1.00 0.00 O ATOM 1401 CB ALA A 89 6.592 -5.086 1.664 1.00 0.00 C ATOM 0 H ALA A 89 7.403 -7.361 1.566 1.00 0.00 H new ATOM 0 HA ALA A 89 7.998 -5.032 0.083 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.442 -4.006 1.660 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.824 -5.561 1.053 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.524 -5.458 2.686 1.00 0.00 H new ATOM 1407 N LYS A 90 9.317 -5.347 3.089 1.00 0.00 N ATOM 1408 CA LYS A 90 10.387 -4.895 3.979 1.00 0.00 C ATOM 1409 C LYS A 90 11.730 -4.943 3.282 1.00 0.00 C ATOM 1410 O LYS A 90 12.580 -4.082 3.478 1.00 0.00 O ATOM 1411 CB LYS A 90 10.438 -5.746 5.252 1.00 0.00 C ATOM 1412 CG LYS A 90 9.266 -5.536 6.178 1.00 0.00 C ATOM 1413 CD LYS A 90 9.338 -6.457 7.375 1.00 0.00 C ATOM 1414 CE LYS A 90 8.194 -6.189 8.331 1.00 0.00 C ATOM 1415 NZ LYS A 90 8.311 -4.878 9.026 1.00 0.00 N ATOM 0 H LYS A 90 8.822 -6.172 3.428 1.00 0.00 H new ATOM 0 HA LYS A 90 10.169 -3.863 4.253 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.482 -6.798 4.972 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.358 -5.521 5.791 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.247 -4.500 6.515 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.336 -5.712 5.637 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.305 -7.495 7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.288 -6.317 7.890 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.254 -6.220 7.781 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.155 -6.986 9.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.362 -4.481 9.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.783 -5.012 9.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.870 -4.224 8.442 1.00 0.00 H new ATOM 1429 N ALA A 91 11.893 -5.926 2.448 1.00 0.00 N ATOM 1430 CA ALA A 91 13.129 -6.128 1.749 1.00 0.00 C ATOM 1431 C ALA A 91 13.308 -5.132 0.612 1.00 0.00 C ATOM 1432 O ALA A 91 14.385 -4.588 0.400 1.00 0.00 O ATOM 1433 CB ALA A 91 13.201 -7.558 1.214 1.00 0.00 C ATOM 0 H ALA A 91 11.171 -6.613 2.232 1.00 0.00 H new ATOM 0 HA ALA A 91 13.940 -5.965 2.458 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.143 -7.702 0.685 1.00 0.00 H new ATOM 0 HB2 ALA A 91 13.141 -8.261 2.045 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.370 -7.733 0.530 1.00 0.00 H new ATOM 1439 N GLU A 92 12.252 -4.903 -0.082 1.00 0.00 N ATOM 1440 CA GLU A 92 12.256 -4.131 -1.300 1.00 0.00 C ATOM 1441 C GLU A 92 11.929 -2.667 -1.109 1.00 0.00 C ATOM 1442 O GLU A 92 12.750 -1.784 -1.384 1.00 0.00 O ATOM 1443 CB GLU A 92 11.223 -4.753 -2.204 1.00 0.00 C ATOM 1444 CG GLU A 92 11.618 -6.118 -2.722 1.00 0.00 C ATOM 1445 CD GLU A 92 12.668 -6.051 -3.808 1.00 0.00 C ATOM 1446 OE1 GLU A 92 13.865 -5.829 -3.497 1.00 0.00 O ATOM 1447 OE2 GLU A 92 12.322 -6.198 -4.997 1.00 0.00 O ATOM 0 H GLU A 92 11.329 -5.251 0.178 1.00 0.00 H new ATOM 0 HA GLU A 92 13.264 -4.153 -1.714 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.281 -4.837 -1.662 1.00 0.00 H new ATOM 0 HB3 GLU A 92 11.045 -4.089 -3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.995 -6.720 -1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.734 -6.625 -3.109 1.00 0.00 H new ATOM 1454 N MET A 93 10.749 -2.424 -0.621 1.00 0.00 N ATOM 1455 CA MET A 93 10.172 -1.113 -0.588 1.00 0.00 C ATOM 1456 C MET A 93 10.768 -0.286 0.529 1.00 0.00 C ATOM 1457 O MET A 93 10.881 0.935 0.427 1.00 0.00 O ATOM 1458 CB MET A 93 8.679 -1.286 -0.404 1.00 0.00 C ATOM 1459 CG MET A 93 7.839 -0.255 -1.092 1.00 0.00 C ATOM 1460 SD MET A 93 7.767 1.320 -0.236 1.00 0.00 S ATOM 1461 CE MET A 93 6.770 2.262 -1.368 1.00 0.00 C ATOM 0 H MET A 93 10.148 -3.147 -0.226 1.00 0.00 H new ATOM 0 HA MET A 93 10.381 -0.579 -1.515 1.00 0.00 H new ATOM 0 HB2 MET A 93 8.393 -2.272 -0.772 1.00 0.00 H new ATOM 0 HB3 MET A 93 8.454 -1.266 0.662 1.00 0.00 H new ATOM 0 HG2 MET A 93 8.231 -0.093 -2.096 1.00 0.00 H new ATOM 0 HG3 MET A 93 6.826 -0.642 -1.204 1.00 0.00 H new ATOM 0 HE1 MET A 93 7.140 3.286 -1.413 1.00 0.00 H new ATOM 0 HE2 MET A 93 6.823 1.813 -2.360 1.00 0.00 H new ATOM 0 HE3 MET A 93 5.735 2.265 -1.026 1.00 0.00 H new