USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 710 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 64 HIS : no HE2:sc= -2.12 K(o=-0.87,f=-10!) USER MOD Set 1.2: A 79 THR OG1 : rot -145:sc= 1.25 USER MOD Set 2.1: A 7 LYS NZ :NH3+ -136:sc= 0.525 (180deg=-0.633) USER MOD Set 2.2: A 74 ASN : amide:sc= -3.16! X(o=-2.6!,f=-3) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 130:sc= -0.0306 USER MOD Single : A 15 MET CE :methyl 135:sc= -1.38 (180deg=-2.94!) USER MOD Single : A 22 SER OG : rot -37:sc= 0.441 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 32 THR OG1 : rot -140:sc= 0.987 USER MOD Single : A 41 ASN : amide:sc= -0.323 K(o=-0.32,f=-4.5!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 154:sc= -0.434 (180deg=-1.66!) USER MOD Single : A 44 ASN : amide:sc= -0.82 K(o=-0.82,f=-4.6!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -133:sc= -0.629 (180deg=-3.14!) USER MOD Single : A 51 TYR OH : rot 117:sc= 0.116 USER MOD Single : A 56 MET CE :methyl -114:sc= -0.421 (180deg=-1.32) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -160:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.0114 X(o=-0.011,f=-0.16) USER MOD Single : A 84 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000841) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 12.467 0.663 0.963 1.00 0.00 N ATOM 40 CA GLU A 4 11.944 -0.143 2.102 1.00 0.00 C ATOM 41 C GLU A 4 11.117 0.725 3.053 1.00 0.00 C ATOM 42 O GLU A 4 10.216 0.226 3.748 1.00 0.00 O ATOM 43 CB GLU A 4 13.097 -0.852 2.865 1.00 0.00 C ATOM 44 CG GLU A 4 14.101 0.088 3.552 1.00 0.00 C ATOM 45 CD GLU A 4 15.237 -0.666 4.278 1.00 0.00 C ATOM 46 OE1 GLU A 4 15.060 -1.054 5.453 1.00 0.00 O ATOM 47 OE2 GLU A 4 16.319 -0.866 3.677 1.00 0.00 O ATOM 0 HA GLU A 4 11.291 -0.913 1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.663 -1.508 3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.639 -1.487 2.164 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.534 0.755 2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.571 0.714 4.270 1.00 0.00 H new ATOM 54 N GLU A 5 11.414 2.029 3.047 1.00 0.00 N ATOM 55 CA GLU A 5 10.692 3.001 3.854 1.00 0.00 C ATOM 56 C GLU A 5 9.299 3.270 3.251 1.00 0.00 C ATOM 57 O GLU A 5 8.361 3.529 3.999 1.00 0.00 O ATOM 58 CB GLU A 5 11.512 4.302 4.009 1.00 0.00 C ATOM 59 CG GLU A 5 10.898 5.332 4.981 1.00 0.00 C ATOM 60 CD GLU A 5 11.743 6.603 5.121 1.00 0.00 C ATOM 61 OE1 GLU A 5 11.596 7.526 4.290 1.00 0.00 O ATOM 62 OE2 GLU A 5 12.569 6.677 6.055 1.00 0.00 O ATOM 0 H GLU A 5 12.161 2.433 2.482 1.00 0.00 H new ATOM 0 HA GLU A 5 10.547 2.590 4.853 1.00 0.00 H new ATOM 0 HB2 GLU A 5 12.514 4.047 4.355 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.622 4.766 3.029 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.901 5.602 4.633 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.779 4.872 5.962 1.00 0.00 H new ATOM 69 N VAL A 6 9.172 3.177 1.899 1.00 0.00 N ATOM 70 CA VAL A 6 7.854 3.229 1.198 1.00 0.00 C ATOM 71 C VAL A 6 6.903 2.183 1.792 1.00 0.00 C ATOM 72 O VAL A 6 5.781 2.510 2.192 1.00 0.00 O ATOM 73 CB VAL A 6 8.000 2.984 -0.359 1.00 0.00 C ATOM 74 CG1 VAL A 6 6.627 2.851 -1.079 1.00 0.00 C ATOM 75 CG2 VAL A 6 8.865 4.080 -1.021 1.00 0.00 C ATOM 0 H VAL A 6 9.967 3.065 1.270 1.00 0.00 H new ATOM 0 HA VAL A 6 7.447 4.230 1.344 1.00 0.00 H new ATOM 0 HB VAL A 6 8.510 2.027 -0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.789 2.684 -2.144 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.076 2.009 -0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.052 3.766 -0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.946 3.883 -2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.400 5.054 -0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.860 4.077 -0.575 1.00 0.00 H new ATOM 85 N LYS A 7 7.399 0.940 1.882 1.00 0.00 N ATOM 86 CA LYS A 7 6.649 -0.187 2.443 1.00 0.00 C ATOM 87 C LYS A 7 6.283 0.056 3.915 1.00 0.00 C ATOM 88 O LYS A 7 5.146 -0.196 4.320 1.00 0.00 O ATOM 89 CB LYS A 7 7.455 -1.506 2.290 1.00 0.00 C ATOM 90 CG LYS A 7 7.496 -2.079 0.842 1.00 0.00 C ATOM 91 CD LYS A 7 8.846 -1.854 0.127 1.00 0.00 C ATOM 92 CE LYS A 7 9.955 -2.767 0.650 1.00 0.00 C ATOM 93 NZ LYS A 7 9.708 -4.195 0.321 1.00 0.00 N ATOM 0 H LYS A 7 8.336 0.690 1.566 1.00 0.00 H new ATOM 0 HA LYS A 7 5.718 -0.279 1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.477 -1.332 2.627 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.025 -2.258 2.952 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.287 -3.148 0.877 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.702 -1.618 0.255 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.718 -2.022 -0.942 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.149 -0.814 0.252 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.909 -2.458 0.224 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.037 -2.654 1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.911 -4.783 1.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.714 -4.320 0.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.326 -4.482 -0.465 1.00 0.00 H new ATOM 107 N GLU A 8 7.252 0.559 4.707 1.00 0.00 N ATOM 108 CA GLU A 8 7.037 0.765 6.159 1.00 0.00 C ATOM 109 C GLU A 8 6.118 1.975 6.451 1.00 0.00 C ATOM 110 O GLU A 8 5.544 2.056 7.541 1.00 0.00 O ATOM 111 CB GLU A 8 8.376 0.864 6.933 1.00 0.00 C ATOM 112 CG GLU A 8 9.032 2.251 6.989 1.00 0.00 C ATOM 113 CD GLU A 8 10.345 2.244 7.784 1.00 0.00 C ATOM 114 OE1 GLU A 8 10.294 2.363 9.027 1.00 0.00 O ATOM 115 OE2 GLU A 8 11.431 2.096 7.179 1.00 0.00 O ATOM 0 H GLU A 8 8.178 0.827 4.375 1.00 0.00 H new ATOM 0 HA GLU A 8 6.517 -0.121 6.524 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.206 0.525 7.955 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.084 0.169 6.481 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.226 2.600 5.975 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.339 2.960 7.443 1.00 0.00 H new ATOM 122 N LYS A 9 6.002 2.902 5.475 1.00 0.00 N ATOM 123 CA LYS A 9 5.028 4.017 5.506 1.00 0.00 C ATOM 124 C LYS A 9 3.613 3.463 5.342 1.00 0.00 C ATOM 125 O LYS A 9 2.726 3.719 6.168 1.00 0.00 O ATOM 126 CB LYS A 9 5.303 5.030 4.356 1.00 0.00 C ATOM 127 CG LYS A 9 6.526 5.943 4.566 1.00 0.00 C ATOM 128 CD LYS A 9 6.934 6.674 3.263 1.00 0.00 C ATOM 129 CE LYS A 9 8.207 7.517 3.435 1.00 0.00 C ATOM 130 NZ LYS A 9 8.733 8.000 2.141 1.00 0.00 N ATOM 0 H LYS A 9 6.585 2.898 4.638 1.00 0.00 H new ATOM 0 HA LYS A 9 5.129 4.530 6.462 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.439 4.474 3.428 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.420 5.656 4.226 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.301 6.678 5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.365 5.348 4.926 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.092 5.940 2.473 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.116 7.318 2.940 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.992 8.369 4.080 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.970 6.922 3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.592 8.564 2.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.963 7.187 1.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.015 8.589 1.673 1.00 0.00 H new ATOM 144 N ILE A 10 3.426 2.701 4.251 1.00 0.00 N ATOM 145 CA ILE A 10 2.116 2.168 3.856 1.00 0.00 C ATOM 146 C ILE A 10 1.586 1.206 4.927 1.00 0.00 C ATOM 147 O ILE A 10 0.417 1.305 5.316 1.00 0.00 O ATOM 148 CB ILE A 10 2.190 1.474 2.447 1.00 0.00 C ATOM 149 CG1 ILE A 10 2.704 2.502 1.380 1.00 0.00 C ATOM 150 CG2 ILE A 10 0.816 0.870 2.029 1.00 0.00 C ATOM 151 CD1 ILE A 10 3.040 1.911 0.022 1.00 0.00 C ATOM 0 H ILE A 10 4.182 2.438 3.619 1.00 0.00 H new ATOM 0 HA ILE A 10 1.416 3.000 3.772 1.00 0.00 H new ATOM 0 HB ILE A 10 2.894 0.644 2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.944 3.272 1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.592 2.996 1.773 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.908 0.399 1.050 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.508 0.125 2.762 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.069 1.663 1.982 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.386 2.702 -0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.825 1.163 0.135 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.151 1.443 -0.401 1.00 0.00 H new ATOM 163 N ARG A 11 2.485 0.334 5.459 1.00 0.00 N ATOM 164 CA ARG A 11 2.127 -0.617 6.528 1.00 0.00 C ATOM 165 C ARG A 11 1.757 0.134 7.799 1.00 0.00 C ATOM 166 O ARG A 11 0.865 -0.287 8.517 1.00 0.00 O ATOM 167 CB ARG A 11 3.233 -1.686 6.792 1.00 0.00 C ATOM 168 CG ARG A 11 4.522 -1.271 7.551 1.00 0.00 C ATOM 169 CD ARG A 11 4.417 -1.308 9.098 1.00 0.00 C ATOM 170 NE ARG A 11 5.474 -2.115 9.734 1.00 0.00 N ATOM 171 CZ ARG A 11 6.739 -1.728 9.969 1.00 0.00 C ATOM 172 NH1 ARG A 11 7.155 -0.509 9.629 1.00 0.00 N ATOM 173 NH2 ARG A 11 7.586 -2.595 10.514 1.00 0.00 N ATOM 0 H ARG A 11 3.459 0.276 5.160 1.00 0.00 H new ATOM 0 HA ARG A 11 1.256 -1.175 6.184 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.773 -2.503 7.348 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.537 -2.089 5.826 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.334 -1.929 7.242 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.796 -0.261 7.245 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.466 -0.289 9.483 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.444 -1.709 9.380 1.00 0.00 H new ATOM 0 HE ARG A 11 5.220 -3.059 10.024 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.510 0.144 9.184 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.118 -0.229 9.814 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.272 -3.537 10.747 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.550 -2.318 10.699 1.00 0.00 H new ATOM 187 N ARG A 12 2.449 1.265 8.046 1.00 0.00 N ATOM 188 CA ARG A 12 2.221 2.086 9.241 1.00 0.00 C ATOM 189 C ARG A 12 0.787 2.623 9.234 1.00 0.00 C ATOM 190 O ARG A 12 0.104 2.559 10.247 1.00 0.00 O ATOM 191 CB ARG A 12 3.273 3.250 9.328 1.00 0.00 C ATOM 192 CG ARG A 12 4.217 3.239 10.553 1.00 0.00 C ATOM 193 CD ARG A 12 4.877 1.875 10.783 1.00 0.00 C ATOM 194 NE ARG A 12 5.959 1.931 11.784 1.00 0.00 N ATOM 195 CZ ARG A 12 7.251 2.206 11.520 1.00 0.00 C ATOM 196 NH1 ARG A 12 7.662 2.469 10.282 1.00 0.00 N ATOM 197 NH2 ARG A 12 8.133 2.211 12.507 1.00 0.00 N ATOM 0 H ARG A 12 3.173 1.628 7.426 1.00 0.00 H new ATOM 0 HA ARG A 12 2.351 1.467 10.129 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.885 3.225 8.426 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.734 4.198 9.321 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.992 3.994 10.416 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.653 3.519 11.443 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.122 1.160 11.109 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.279 1.506 9.839 1.00 0.00 H new ATOM 0 HE ARG A 12 5.708 1.746 12.755 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.994 2.465 9.511 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.645 2.675 10.104 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.833 2.007 13.460 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.113 2.418 12.314 1.00 0.00 H new ATOM 211 N TYR A 13 0.329 3.083 8.056 1.00 0.00 N ATOM 212 CA TYR A 13 -1.041 3.597 7.874 1.00 0.00 C ATOM 213 C TYR A 13 -2.088 2.472 8.021 1.00 0.00 C ATOM 214 O TYR A 13 -3.221 2.717 8.456 1.00 0.00 O ATOM 215 CB TYR A 13 -1.168 4.268 6.503 1.00 0.00 C ATOM 216 CG TYR A 13 -2.512 4.970 6.283 1.00 0.00 C ATOM 217 CD1 TYR A 13 -2.859 6.102 7.032 1.00 0.00 C ATOM 218 CD2 TYR A 13 -3.430 4.513 5.340 1.00 0.00 C ATOM 219 CE1 TYR A 13 -4.062 6.743 6.840 1.00 0.00 C ATOM 220 CE2 TYR A 13 -4.628 5.151 5.151 1.00 0.00 C ATOM 221 CZ TYR A 13 -4.943 6.265 5.897 1.00 0.00 C ATOM 222 OH TYR A 13 -6.152 6.897 5.704 1.00 0.00 O ATOM 0 H TYR A 13 0.894 3.109 7.207 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.235 4.334 8.654 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.365 4.996 6.389 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.029 3.516 5.726 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.170 6.479 7.774 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.194 3.641 4.748 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.313 7.615 7.425 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.326 4.780 4.416 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.281 7.071 4.748 1.00 0.00 H new ATOM 232 N ILE A 14 -1.703 1.242 7.639 1.00 0.00 N ATOM 233 CA ILE A 14 -2.536 0.044 7.850 1.00 0.00 C ATOM 234 C ILE A 14 -2.705 -0.222 9.362 1.00 0.00 C ATOM 235 O ILE A 14 -3.731 -0.729 9.798 1.00 0.00 O ATOM 236 CB ILE A 14 -1.905 -1.207 7.122 1.00 0.00 C ATOM 237 CG1 ILE A 14 -1.779 -0.940 5.590 1.00 0.00 C ATOM 238 CG2 ILE A 14 -2.699 -2.514 7.381 1.00 0.00 C ATOM 239 CD1 ILE A 14 -0.827 -1.867 4.865 1.00 0.00 C ATOM 0 H ILE A 14 -0.813 1.050 7.179 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.521 0.219 7.418 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.911 -1.351 7.545 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.766 -1.028 5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.449 0.088 5.440 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.220 -3.341 6.856 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.716 -2.724 8.450 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.720 -2.397 7.018 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.803 -1.608 3.806 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.173 -1.764 5.287 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.165 -2.897 4.979 1.00 0.00 H new ATOM 251 N MET A 15 -1.684 0.153 10.147 1.00 0.00 N ATOM 252 CA MET A 15 -1.679 0.003 11.619 1.00 0.00 C ATOM 253 C MET A 15 -2.393 1.179 12.325 1.00 0.00 C ATOM 254 O MET A 15 -2.884 1.025 13.446 1.00 0.00 O ATOM 255 CB MET A 15 -0.210 -0.106 12.103 1.00 0.00 C ATOM 256 CG MET A 15 0.583 -1.209 11.395 1.00 0.00 C ATOM 257 SD MET A 15 2.356 -1.110 11.674 1.00 0.00 S ATOM 258 CE MET A 15 2.425 -1.427 13.418 1.00 0.00 C ATOM 0 H MET A 15 -0.830 0.573 9.780 1.00 0.00 H new ATOM 0 HA MET A 15 -2.230 -0.901 11.877 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.289 0.850 11.944 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.202 -0.295 13.177 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.223 -2.180 11.736 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.388 -1.155 10.324 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.223 -2.139 13.627 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.621 -0.496 13.950 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.473 -1.841 13.751 1.00 0.00 H new ATOM 268 N GLU A 16 -2.417 2.354 11.664 1.00 0.00 N ATOM 269 CA GLU A 16 -3.051 3.573 12.210 1.00 0.00 C ATOM 270 C GLU A 16 -4.564 3.551 11.969 1.00 0.00 C ATOM 271 O GLU A 16 -5.373 3.545 12.905 1.00 0.00 O ATOM 272 CB GLU A 16 -2.442 4.852 11.549 1.00 0.00 C ATOM 273 CG GLU A 16 -0.929 5.035 11.753 1.00 0.00 C ATOM 274 CD GLU A 16 -0.530 5.213 13.219 1.00 0.00 C ATOM 275 OE1 GLU A 16 -0.295 4.204 13.918 1.00 0.00 O ATOM 276 OE2 GLU A 16 -0.442 6.368 13.681 1.00 0.00 O ATOM 0 H GLU A 16 -2.000 2.485 10.742 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.860 3.596 13.283 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.647 4.822 10.479 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.955 5.727 11.948 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.408 4.169 11.345 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.596 5.904 11.186 1.00 0.00 H new ATOM 283 N ASP A 17 -4.916 3.527 10.685 1.00 0.00 N ATOM 284 CA ASP A 17 -6.273 3.801 10.204 1.00 0.00 C ATOM 285 C ASP A 17 -7.104 2.521 9.984 1.00 0.00 C ATOM 286 O ASP A 17 -8.289 2.481 10.347 1.00 0.00 O ATOM 287 CB ASP A 17 -6.149 4.609 8.896 1.00 0.00 C ATOM 288 CG ASP A 17 -7.486 4.900 8.205 1.00 0.00 C ATOM 289 OD1 ASP A 17 -8.304 5.661 8.764 1.00 0.00 O ATOM 290 OD2 ASP A 17 -7.716 4.386 7.095 1.00 0.00 O ATOM 0 H ASP A 17 -4.257 3.313 9.936 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.810 4.368 10.965 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.652 5.555 9.113 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.507 4.063 8.205 1.00 0.00 H new ATOM 295 N LEU A 18 -6.493 1.490 9.374 1.00 0.00 N ATOM 296 CA LEU A 18 -7.223 0.270 8.945 1.00 0.00 C ATOM 297 C LEU A 18 -7.427 -0.705 10.123 1.00 0.00 C ATOM 298 O LEU A 18 -8.544 -1.167 10.381 1.00 0.00 O ATOM 299 CB LEU A 18 -6.480 -0.442 7.777 1.00 0.00 C ATOM 300 CG LEU A 18 -6.084 0.454 6.552 1.00 0.00 C ATOM 301 CD1 LEU A 18 -5.513 -0.398 5.402 1.00 0.00 C ATOM 302 CD2 LEU A 18 -7.254 1.333 6.069 1.00 0.00 C ATOM 0 H LEU A 18 -5.495 1.471 9.164 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.205 0.584 8.590 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.573 -0.896 8.176 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.111 -1.255 7.416 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.300 1.131 6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.247 0.250 4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.625 -0.927 5.748 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.262 -1.120 5.077 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.931 1.935 5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.086 0.697 5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.574 1.990 6.878 1.00 0.00 H new ATOM 314 N ILE A 19 -6.329 -1.019 10.818 1.00 0.00 N ATOM 315 CA ILE A 19 -6.311 -1.949 11.967 1.00 0.00 C ATOM 316 C ILE A 19 -5.985 -1.142 13.248 1.00 0.00 C ATOM 317 O ILE A 19 -5.511 -0.006 13.153 1.00 0.00 O ATOM 318 CB ILE A 19 -5.218 -3.080 11.754 1.00 0.00 C ATOM 319 CG1 ILE A 19 -5.253 -3.654 10.300 1.00 0.00 C ATOM 320 CG2 ILE A 19 -5.358 -4.237 12.781 1.00 0.00 C ATOM 321 CD1 ILE A 19 -4.126 -4.636 9.992 1.00 0.00 C ATOM 0 H ILE A 19 -5.411 -0.632 10.600 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.285 -2.430 12.060 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.253 -2.599 11.916 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.209 -4.153 10.140 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.203 -2.826 9.593 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.588 -4.985 12.593 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.243 -3.843 13.791 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.342 -4.696 12.680 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.221 -4.988 8.965 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.165 -4.138 10.117 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.186 -5.484 10.674 1.00 0.00 H new ATOM 333 N GLY A 20 -6.248 -1.722 14.432 1.00 0.00 N ATOM 334 CA GLY A 20 -5.895 -1.105 15.708 1.00 0.00 C ATOM 335 C GLY A 20 -4.941 -1.991 16.517 1.00 0.00 C ATOM 336 O GLY A 20 -3.772 -2.127 16.141 1.00 0.00 O ATOM 0 H GLY A 20 -6.709 -2.627 14.524 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.429 -0.136 15.528 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.800 -0.920 16.287 1.00 0.00 H new ATOM 340 N PRO A 21 -5.427 -2.680 17.598 1.00 0.00 N ATOM 341 CA PRO A 21 -4.548 -3.385 18.574 1.00 0.00 C ATOM 342 C PRO A 21 -3.885 -4.664 18.000 1.00 0.00 C ATOM 343 O PRO A 21 -2.856 -5.119 18.510 1.00 0.00 O ATOM 344 CB PRO A 21 -5.519 -3.700 19.746 1.00 0.00 C ATOM 345 CG PRO A 21 -6.877 -3.808 19.110 1.00 0.00 C ATOM 346 CD PRO A 21 -6.871 -2.845 17.932 1.00 0.00 C ATOM 0 HA PRO A 21 -3.690 -2.781 18.869 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.244 -4.628 20.248 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.498 -2.912 20.499 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.072 -4.828 18.778 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.662 -3.549 19.821 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.431 -3.246 17.087 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.330 -1.892 18.195 1.00 0.00 H new ATOM 354 N SER A 22 -4.460 -5.199 16.906 1.00 0.00 N ATOM 355 CA SER A 22 -3.979 -6.430 16.236 1.00 0.00 C ATOM 356 C SER A 22 -2.864 -6.117 15.211 1.00 0.00 C ATOM 357 O SER A 22 -2.437 -6.989 14.444 1.00 0.00 O ATOM 358 CB SER A 22 -5.185 -7.130 15.561 1.00 0.00 C ATOM 359 OG SER A 22 -4.838 -8.393 15.014 1.00 0.00 O ATOM 0 H SER A 22 -5.278 -4.788 16.456 1.00 0.00 H new ATOM 0 HA SER A 22 -3.540 -7.097 16.978 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.983 -7.260 16.292 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.578 -6.490 14.771 1.00 0.00 H new ATOM 0 HG SER A 22 -3.938 -8.346 14.628 1.00 0.00 H new ATOM 365 N ALA A 23 -2.363 -4.877 15.241 1.00 0.00 N ATOM 366 CA ALA A 23 -1.296 -4.423 14.366 1.00 0.00 C ATOM 367 C ALA A 23 -0.167 -3.887 15.240 1.00 0.00 C ATOM 368 O ALA A 23 -0.011 -2.677 15.407 1.00 0.00 O ATOM 369 CB ALA A 23 -1.820 -3.368 13.381 1.00 0.00 C ATOM 0 H ALA A 23 -2.696 -4.158 15.884 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.916 -5.246 13.761 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.007 -3.039 12.733 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.615 -3.800 12.774 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.210 -2.514 13.935 1.00 0.00 H new ATOM 375 N LYS A 24 0.569 -4.824 15.865 1.00 0.00 N ATOM 376 CA LYS A 24 1.742 -4.496 16.686 1.00 0.00 C ATOM 377 C LYS A 24 2.888 -4.023 15.769 1.00 0.00 C ATOM 378 O LYS A 24 2.842 -4.273 14.559 1.00 0.00 O ATOM 379 CB LYS A 24 2.158 -5.734 17.531 1.00 0.00 C ATOM 380 CG LYS A 24 2.928 -5.412 18.825 1.00 0.00 C ATOM 381 CD LYS A 24 2.050 -4.645 19.845 1.00 0.00 C ATOM 382 CE LYS A 24 2.754 -4.397 21.189 1.00 0.00 C ATOM 383 NZ LYS A 24 1.857 -3.714 22.146 1.00 0.00 N ATOM 0 H LYS A 24 0.367 -5.822 15.814 1.00 0.00 H new ATOM 0 HA LYS A 24 1.502 -3.689 17.378 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.261 -6.296 17.791 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.774 -6.386 16.912 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.283 -6.339 19.276 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.809 -4.817 18.585 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.757 -3.688 19.414 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.134 -5.209 20.021 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.084 -5.347 21.610 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.647 -3.792 21.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.359 -3.560 23.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.563 -2.797 21.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.017 -4.303 22.316 1.00 0.00 H new ATOM 397 N GLU A 25 3.915 -3.387 16.366 1.00 0.00 N ATOM 398 CA GLU A 25 4.996 -2.661 15.648 1.00 0.00 C ATOM 399 C GLU A 25 5.614 -3.476 14.493 1.00 0.00 C ATOM 400 O GLU A 25 5.971 -2.915 13.449 1.00 0.00 O ATOM 401 CB GLU A 25 6.115 -2.238 16.642 1.00 0.00 C ATOM 402 CG GLU A 25 5.721 -1.180 17.699 1.00 0.00 C ATOM 403 CD GLU A 25 4.710 -1.694 18.736 1.00 0.00 C ATOM 404 OE1 GLU A 25 5.122 -2.357 19.712 1.00 0.00 O ATOM 405 OE2 GLU A 25 3.498 -1.474 18.561 1.00 0.00 O ATOM 0 H GLU A 25 4.024 -3.359 17.380 1.00 0.00 H new ATOM 0 HA GLU A 25 4.531 -1.780 15.206 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.466 -3.129 17.163 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.957 -1.852 16.067 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.619 -0.843 18.216 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.300 -0.312 17.192 1.00 0.00 H new ATOM 412 N ASP A 26 5.716 -4.799 14.691 1.00 0.00 N ATOM 413 CA ASP A 26 6.350 -5.707 13.724 1.00 0.00 C ATOM 414 C ASP A 26 5.443 -6.912 13.410 1.00 0.00 C ATOM 415 O ASP A 26 5.925 -8.008 13.088 1.00 0.00 O ATOM 416 CB ASP A 26 7.733 -6.149 14.268 1.00 0.00 C ATOM 417 CG ASP A 26 8.741 -4.991 14.273 1.00 0.00 C ATOM 418 OD1 ASP A 26 9.318 -4.689 13.208 1.00 0.00 O ATOM 419 OD2 ASP A 26 8.935 -4.349 15.333 1.00 0.00 O ATOM 0 H ASP A 26 5.362 -5.269 15.524 1.00 0.00 H new ATOM 0 HA ASP A 26 6.500 -5.180 12.782 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.618 -6.535 15.281 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.120 -6.965 13.657 1.00 0.00 H new ATOM 424 N GLU A 27 4.120 -6.685 13.475 1.00 0.00 N ATOM 425 CA GLU A 27 3.131 -7.632 12.940 1.00 0.00 C ATOM 426 C GLU A 27 3.008 -7.422 11.433 1.00 0.00 C ATOM 427 O GLU A 27 2.754 -8.358 10.678 1.00 0.00 O ATOM 428 CB GLU A 27 1.746 -7.457 13.636 1.00 0.00 C ATOM 429 CG GLU A 27 1.651 -8.119 15.011 1.00 0.00 C ATOM 430 CD GLU A 27 1.902 -9.634 14.983 1.00 0.00 C ATOM 431 OE1 GLU A 27 0.973 -10.390 14.651 1.00 0.00 O ATOM 432 OE2 GLU A 27 3.028 -10.079 15.300 1.00 0.00 O ATOM 0 H GLU A 27 3.711 -5.850 13.895 1.00 0.00 H new ATOM 0 HA GLU A 27 3.467 -8.649 13.141 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.536 -6.393 13.742 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.972 -7.872 12.990 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.373 -7.652 15.680 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.662 -7.931 15.428 1.00 0.00 H new ATOM 439 N LEU A 28 3.174 -6.161 11.014 1.00 0.00 N ATOM 440 CA LEU A 28 3.253 -5.785 9.605 1.00 0.00 C ATOM 441 C LEU A 28 4.742 -5.696 9.204 1.00 0.00 C ATOM 442 O LEU A 28 5.510 -4.906 9.759 1.00 0.00 O ATOM 443 CB LEU A 28 2.504 -4.439 9.355 1.00 0.00 C ATOM 444 CG LEU A 28 0.937 -4.502 9.279 1.00 0.00 C ATOM 445 CD1 LEU A 28 0.469 -5.375 8.097 1.00 0.00 C ATOM 446 CD2 LEU A 28 0.316 -4.974 10.608 1.00 0.00 C ATOM 0 H LEU A 28 3.257 -5.370 11.652 1.00 0.00 H new ATOM 0 HA LEU A 28 2.765 -6.538 8.986 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.778 -3.746 10.150 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.872 -4.014 8.421 1.00 0.00 H new ATOM 0 HG LEU A 28 0.581 -3.487 9.103 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.620 -5.399 8.071 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.845 -4.956 7.164 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.851 -6.388 8.219 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.769 -5.003 10.512 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.686 -5.970 10.849 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.591 -4.282 11.404 1.00 0.00 H new ATOM 458 N ASP A 29 5.130 -6.596 8.313 1.00 0.00 N ATOM 459 CA ASP A 29 6.430 -6.590 7.607 1.00 0.00 C ATOM 460 C ASP A 29 6.214 -6.070 6.186 1.00 0.00 C ATOM 461 O ASP A 29 5.069 -5.873 5.755 1.00 0.00 O ATOM 462 CB ASP A 29 7.019 -8.032 7.543 1.00 0.00 C ATOM 463 CG ASP A 29 7.214 -8.672 8.927 1.00 0.00 C ATOM 464 OD1 ASP A 29 8.240 -8.383 9.576 1.00 0.00 O ATOM 465 OD2 ASP A 29 6.351 -9.475 9.365 1.00 0.00 O ATOM 0 H ASP A 29 4.539 -7.382 8.043 1.00 0.00 H new ATOM 0 HA ASP A 29 7.129 -5.949 8.144 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.356 -8.662 6.950 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.978 -8.002 7.026 1.00 0.00 H new ATOM 470 N ASP A 30 7.315 -5.883 5.438 1.00 0.00 N ATOM 471 CA ASP A 30 7.245 -5.471 4.026 1.00 0.00 C ATOM 472 C ASP A 30 6.861 -6.656 3.105 1.00 0.00 C ATOM 473 O ASP A 30 6.549 -6.456 1.933 1.00 0.00 O ATOM 474 CB ASP A 30 8.571 -4.824 3.566 1.00 0.00 C ATOM 475 CG ASP A 30 9.736 -5.821 3.434 1.00 0.00 C ATOM 476 OD1 ASP A 30 10.311 -6.219 4.469 1.00 0.00 O ATOM 477 OD2 ASP A 30 10.083 -6.210 2.293 1.00 0.00 O ATOM 0 H ASP A 30 8.264 -6.011 5.788 1.00 0.00 H new ATOM 0 HA ASP A 30 6.458 -4.721 3.946 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.412 -4.336 2.604 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.850 -4.045 4.276 1.00 0.00 H new ATOM 482 N GLN A 31 6.881 -7.886 3.658 1.00 0.00 N ATOM 483 CA GLN A 31 6.583 -9.127 2.908 1.00 0.00 C ATOM 484 C GLN A 31 5.283 -9.784 3.428 1.00 0.00 C ATOM 485 O GLN A 31 4.944 -10.906 3.028 1.00 0.00 O ATOM 486 CB GLN A 31 7.776 -10.116 3.032 1.00 0.00 C ATOM 487 CG GLN A 31 9.157 -9.486 2.762 1.00 0.00 C ATOM 488 CD GLN A 31 10.305 -10.489 2.704 1.00 0.00 C ATOM 489 OE1 GLN A 31 10.146 -11.623 2.242 1.00 0.00 O ATOM 490 NE2 GLN A 31 11.463 -10.084 3.197 1.00 0.00 N ATOM 0 H GLN A 31 7.105 -8.049 4.640 1.00 0.00 H new ATOM 0 HA GLN A 31 6.437 -8.874 1.858 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.775 -10.543 4.035 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.623 -10.940 2.334 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.117 -8.943 1.818 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.368 -8.755 3.542 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.556 -9.139 3.570 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.263 -10.716 3.204 1.00 0.00 H new ATOM 499 N THR A 32 4.576 -9.068 4.328 1.00 0.00 N ATOM 500 CA THR A 32 3.327 -9.542 4.929 1.00 0.00 C ATOM 501 C THR A 32 2.214 -9.686 3.873 1.00 0.00 C ATOM 502 O THR A 32 1.929 -8.726 3.147 1.00 0.00 O ATOM 503 CB THR A 32 2.868 -8.593 6.078 1.00 0.00 C ATOM 504 OG1 THR A 32 3.753 -8.759 7.189 1.00 0.00 O ATOM 505 CG2 THR A 32 1.418 -8.837 6.540 1.00 0.00 C ATOM 0 H THR A 32 4.862 -8.145 4.654 1.00 0.00 H new ATOM 0 HA THR A 32 3.520 -10.528 5.351 1.00 0.00 H new ATOM 0 HB THR A 32 2.900 -7.576 5.687 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.238 -8.742 8.023 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.169 -8.141 7.341 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.738 -8.684 5.702 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.320 -9.859 6.905 1.00 0.00 H new ATOM 513 N PRO A 33 1.570 -10.897 3.783 1.00 0.00 N ATOM 514 CA PRO A 33 0.447 -11.139 2.867 1.00 0.00 C ATOM 515 C PRO A 33 -0.821 -10.387 3.338 1.00 0.00 C ATOM 516 O PRO A 33 -1.651 -10.918 4.084 1.00 0.00 O ATOM 517 CB PRO A 33 0.291 -12.680 2.906 1.00 0.00 C ATOM 518 CG PRO A 33 0.771 -13.073 4.273 1.00 0.00 C ATOM 519 CD PRO A 33 1.899 -12.115 4.583 1.00 0.00 C ATOM 0 HA PRO A 33 0.613 -10.773 1.854 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.746 -12.978 2.749 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.882 -13.158 2.125 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.028 -12.993 5.010 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.116 -14.107 4.288 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.951 -11.891 5.648 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.865 -12.531 4.298 1.00 0.00 H new ATOM 527 N LEU A 34 -0.907 -9.118 2.906 1.00 0.00 N ATOM 528 CA LEU A 34 -1.978 -8.174 3.273 1.00 0.00 C ATOM 529 C LEU A 34 -3.359 -8.745 2.895 1.00 0.00 C ATOM 530 O LEU A 34 -4.290 -8.810 3.707 1.00 0.00 O ATOM 531 CB LEU A 34 -1.755 -6.830 2.521 1.00 0.00 C ATOM 532 CG LEU A 34 -0.347 -6.159 2.675 1.00 0.00 C ATOM 533 CD1 LEU A 34 -0.210 -4.917 1.761 1.00 0.00 C ATOM 534 CD2 LEU A 34 -0.038 -5.817 4.153 1.00 0.00 C ATOM 0 H LEU A 34 -0.217 -8.709 2.276 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.949 -8.012 4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.936 -7.001 1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.509 -6.120 2.863 1.00 0.00 H new ATOM 0 HG LEU A 34 0.398 -6.885 2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.778 -4.476 1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.339 -5.215 0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.973 -4.185 2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.946 -5.353 4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.791 -5.126 4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.051 -6.730 4.748 1.00 0.00 H new ATOM 546 N LEU A 35 -3.441 -9.185 1.638 1.00 0.00 N ATOM 547 CA LEU A 35 -4.682 -9.667 1.026 1.00 0.00 C ATOM 548 C LEU A 35 -5.115 -11.023 1.615 1.00 0.00 C ATOM 549 O LEU A 35 -6.314 -11.302 1.731 1.00 0.00 O ATOM 550 CB LEU A 35 -4.490 -9.785 -0.496 1.00 0.00 C ATOM 551 CG LEU A 35 -5.792 -10.006 -1.318 1.00 0.00 C ATOM 552 CD1 LEU A 35 -6.680 -8.738 -1.298 1.00 0.00 C ATOM 553 CD2 LEU A 35 -5.462 -10.460 -2.743 1.00 0.00 C ATOM 0 H LEU A 35 -2.639 -9.217 1.009 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.472 -8.948 1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.003 -8.878 -0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.809 -10.613 -0.696 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.368 -10.805 -0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.584 -8.918 -1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.951 -8.500 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.130 -7.902 -1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.387 -10.609 -3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.859 -9.698 -3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.905 -11.396 -2.707 1.00 0.00 H new ATOM 565 N GLU A 36 -4.120 -11.854 1.988 1.00 0.00 N ATOM 566 CA GLU A 36 -4.360 -13.181 2.595 1.00 0.00 C ATOM 567 C GLU A 36 -5.013 -13.024 3.979 1.00 0.00 C ATOM 568 O GLU A 36 -5.865 -13.824 4.374 1.00 0.00 O ATOM 569 CB GLU A 36 -3.032 -13.965 2.714 1.00 0.00 C ATOM 570 CG GLU A 36 -3.173 -15.436 3.164 1.00 0.00 C ATOM 571 CD GLU A 36 -3.768 -16.333 2.066 1.00 0.00 C ATOM 572 OE1 GLU A 36 -2.990 -16.886 1.261 1.00 0.00 O ATOM 573 OE2 GLU A 36 -5.004 -16.478 1.984 1.00 0.00 O ATOM 0 H GLU A 36 -3.132 -11.626 1.878 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.038 -13.741 1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.529 -13.944 1.747 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.385 -13.446 3.421 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.194 -15.820 3.452 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.807 -15.483 4.050 1.00 0.00 H new ATOM 580 N TRP A 37 -4.603 -11.959 4.694 1.00 0.00 N ATOM 581 CA TRP A 37 -5.198 -11.570 5.988 1.00 0.00 C ATOM 582 C TRP A 37 -6.635 -11.037 5.804 1.00 0.00 C ATOM 583 O TRP A 37 -7.418 -11.020 6.759 1.00 0.00 O ATOM 584 CB TRP A 37 -4.314 -10.491 6.670 1.00 0.00 C ATOM 585 CG TRP A 37 -3.007 -11.002 7.243 1.00 0.00 C ATOM 586 CD1 TRP A 37 -2.394 -12.207 7.007 1.00 0.00 C ATOM 587 CD2 TRP A 37 -2.162 -10.304 8.168 1.00 0.00 C ATOM 588 NE1 TRP A 37 -1.230 -12.292 7.726 1.00 0.00 N ATOM 589 CE2 TRP A 37 -1.062 -11.140 8.445 1.00 0.00 C ATOM 590 CE3 TRP A 37 -2.223 -9.044 8.776 1.00 0.00 C ATOM 591 CZ2 TRP A 37 -0.044 -10.764 9.313 1.00 0.00 C ATOM 592 CZ3 TRP A 37 -1.213 -8.671 9.642 1.00 0.00 C ATOM 593 CH2 TRP A 37 -0.133 -9.529 9.903 1.00 0.00 C ATOM 0 H TRP A 37 -3.849 -11.343 4.391 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.245 -12.455 6.622 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.094 -9.710 5.942 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.888 -10.026 7.472 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.773 -12.976 6.351 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.591 -13.087 7.725 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.046 -8.375 8.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.788 -11.421 9.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.255 -7.706 10.125 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.644 -9.210 10.582 1.00 0.00 H new ATOM 604 N GLY A 38 -6.958 -10.592 4.574 1.00 0.00 N ATOM 605 CA GLY A 38 -8.284 -10.064 4.248 1.00 0.00 C ATOM 606 C GLY A 38 -8.534 -8.689 4.835 1.00 0.00 C ATOM 607 O GLY A 38 -9.682 -8.259 4.951 1.00 0.00 O ATOM 0 H GLY A 38 -6.308 -10.591 3.788 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.394 -10.016 3.165 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.044 -10.754 4.615 1.00 0.00 H new ATOM 611 N ILE A 39 -7.441 -7.992 5.190 1.00 0.00 N ATOM 612 CA ILE A 39 -7.494 -6.629 5.745 1.00 0.00 C ATOM 613 C ILE A 39 -7.769 -5.598 4.631 1.00 0.00 C ATOM 614 O ILE A 39 -8.093 -4.452 4.928 1.00 0.00 O ATOM 615 CB ILE A 39 -6.166 -6.263 6.518 1.00 0.00 C ATOM 616 CG1 ILE A 39 -4.926 -6.265 5.557 1.00 0.00 C ATOM 617 CG2 ILE A 39 -5.958 -7.224 7.719 1.00 0.00 C ATOM 618 CD1 ILE A 39 -3.590 -5.956 6.215 1.00 0.00 C ATOM 0 H ILE A 39 -6.494 -8.359 5.100 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.315 -6.599 6.462 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.265 -5.250 6.908 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.859 -7.243 5.080 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.100 -5.535 4.766 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.039 -6.959 8.242 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.802 -7.139 8.403 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.887 -8.249 7.356 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.800 -5.983 5.465 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.628 -4.965 6.667 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.384 -6.699 6.986 1.00 0.00 H new ATOM 630 N LEU A 40 -7.643 -6.020 3.346 1.00 0.00 N ATOM 631 CA LEU A 40 -7.821 -5.129 2.183 1.00 0.00 C ATOM 632 C LEU A 40 -9.152 -5.447 1.478 1.00 0.00 C ATOM 633 O LEU A 40 -9.300 -6.488 0.828 1.00 0.00 O ATOM 634 CB LEU A 40 -6.642 -5.268 1.174 1.00 0.00 C ATOM 635 CG LEU A 40 -5.208 -4.956 1.718 1.00 0.00 C ATOM 636 CD1 LEU A 40 -4.174 -4.918 0.569 1.00 0.00 C ATOM 637 CD2 LEU A 40 -5.186 -3.647 2.548 1.00 0.00 C ATOM 0 H LEU A 40 -7.417 -6.982 3.094 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.836 -4.101 2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.644 -6.287 0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.837 -4.606 0.330 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.926 -5.766 2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.186 -4.699 0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.153 -5.885 0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.452 -4.143 -0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.174 -3.462 2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.505 -2.814 1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.863 -3.743 3.397 1.00 0.00 H new ATOM 649 N ASN A 41 -10.121 -4.549 1.683 1.00 0.00 N ATOM 650 CA ASN A 41 -11.443 -4.559 1.029 1.00 0.00 C ATOM 651 C ASN A 41 -11.627 -3.244 0.247 1.00 0.00 C ATOM 652 O ASN A 41 -10.767 -2.363 0.315 1.00 0.00 O ATOM 653 CB ASN A 41 -12.542 -4.724 2.102 1.00 0.00 C ATOM 654 CG ASN A 41 -12.545 -3.585 3.132 1.00 0.00 C ATOM 655 OD1 ASN A 41 -13.195 -2.560 2.942 1.00 0.00 O ATOM 656 ND2 ASN A 41 -11.810 -3.752 4.230 1.00 0.00 N ATOM 0 H ASN A 41 -10.008 -3.768 2.329 1.00 0.00 H new ATOM 0 HA ASN A 41 -11.515 -5.393 0.331 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -13.516 -4.769 1.614 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -12.400 -5.674 2.618 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.777 -3.019 4.938 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.280 -4.613 4.363 1.00 0.00 H new ATOM 663 N SER A 42 -12.764 -3.089 -0.453 1.00 0.00 N ATOM 664 CA SER A 42 -12.960 -1.969 -1.391 1.00 0.00 C ATOM 665 C SER A 42 -13.283 -0.633 -0.673 1.00 0.00 C ATOM 666 O SER A 42 -13.119 0.448 -1.266 1.00 0.00 O ATOM 667 CB SER A 42 -14.067 -2.307 -2.406 1.00 0.00 C ATOM 668 OG SER A 42 -14.025 -1.400 -3.502 1.00 0.00 O ATOM 0 H SER A 42 -13.560 -3.723 -0.388 1.00 0.00 H new ATOM 0 HA SER A 42 -12.014 -1.829 -1.915 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.941 -3.328 -2.765 1.00 0.00 H new ATOM 0 HB3 SER A 42 -15.042 -2.258 -1.921 1.00 0.00 H new ATOM 0 HG SER A 42 -14.733 -1.626 -4.141 1.00 0.00 H new ATOM 673 N MET A 43 -13.741 -0.705 0.592 1.00 0.00 N ATOM 674 CA MET A 43 -14.063 0.496 1.389 1.00 0.00 C ATOM 675 C MET A 43 -12.779 1.172 1.891 1.00 0.00 C ATOM 676 O MET A 43 -12.649 2.392 1.814 1.00 0.00 O ATOM 677 CB MET A 43 -14.995 0.137 2.589 1.00 0.00 C ATOM 678 CG MET A 43 -16.413 -0.367 2.210 1.00 0.00 C ATOM 679 SD MET A 43 -17.653 0.952 2.023 1.00 0.00 S ATOM 680 CE MET A 43 -17.172 1.815 0.519 1.00 0.00 C ATOM 0 H MET A 43 -13.897 -1.584 1.085 1.00 0.00 H new ATOM 0 HA MET A 43 -14.594 1.196 0.744 1.00 0.00 H new ATOM 0 HB2 MET A 43 -14.505 -0.629 3.190 1.00 0.00 H new ATOM 0 HB3 MET A 43 -15.099 1.019 3.221 1.00 0.00 H new ATOM 0 HG2 MET A 43 -16.350 -0.925 1.276 1.00 0.00 H new ATOM 0 HG3 MET A 43 -16.754 -1.064 2.975 1.00 0.00 H new ATOM 0 HE1 MET A 43 -18.048 2.288 0.075 1.00 0.00 H new ATOM 0 HE2 MET A 43 -16.430 2.577 0.758 1.00 0.00 H new ATOM 0 HE3 MET A 43 -16.746 1.103 -0.189 1.00 0.00 H new ATOM 690 N ASN A 44 -11.844 0.362 2.410 1.00 0.00 N ATOM 691 CA ASN A 44 -10.587 0.871 3.003 1.00 0.00 C ATOM 692 C ASN A 44 -9.434 0.978 1.968 1.00 0.00 C ATOM 693 O ASN A 44 -8.402 1.588 2.265 1.00 0.00 O ATOM 694 CB ASN A 44 -10.167 0.030 4.234 1.00 0.00 C ATOM 695 CG ASN A 44 -9.442 -1.280 3.912 1.00 0.00 C ATOM 696 OD1 ASN A 44 -9.685 -1.927 2.899 1.00 0.00 O ATOM 697 ND2 ASN A 44 -8.536 -1.664 4.786 1.00 0.00 N ATOM 0 H ASN A 44 -11.931 -0.654 2.433 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.791 1.887 3.341 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.520 0.639 4.866 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -11.058 -0.201 4.818 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -8.010 -2.524 4.631 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.359 -1.101 5.618 1.00 0.00 H new ATOM 704 N ILE A 45 -9.595 0.348 0.776 1.00 0.00 N ATOM 705 CA ILE A 45 -8.552 0.365 -0.290 1.00 0.00 C ATOM 706 C ILE A 45 -8.254 1.809 -0.764 1.00 0.00 C ATOM 707 O ILE A 45 -7.118 2.140 -1.132 1.00 0.00 O ATOM 708 CB ILE A 45 -8.960 -0.545 -1.528 1.00 0.00 C ATOM 709 CG1 ILE A 45 -7.710 -0.959 -2.359 1.00 0.00 C ATOM 710 CG2 ILE A 45 -10.032 0.123 -2.436 1.00 0.00 C ATOM 711 CD1 ILE A 45 -6.720 -1.822 -1.599 1.00 0.00 C ATOM 0 H ILE A 45 -10.433 -0.177 0.527 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.645 -0.049 0.150 1.00 0.00 H new ATOM 0 HB ILE A 45 -9.413 -1.446 -1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.040 -1.499 -3.247 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.201 -0.059 -2.704 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -10.273 -0.543 -3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.933 0.317 -1.853 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.643 1.063 -2.827 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.879 -2.067 -2.247 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.359 -1.279 -0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.210 -2.741 -1.278 1.00 0.00 H new ATOM 723 N VAL A 46 -9.294 2.662 -0.714 1.00 0.00 N ATOM 724 CA VAL A 46 -9.215 4.070 -1.125 1.00 0.00 C ATOM 725 C VAL A 46 -8.410 4.904 -0.101 1.00 0.00 C ATOM 726 O VAL A 46 -7.813 5.920 -0.460 1.00 0.00 O ATOM 727 CB VAL A 46 -10.651 4.687 -1.339 1.00 0.00 C ATOM 728 CG1 VAL A 46 -11.415 3.940 -2.469 1.00 0.00 C ATOM 729 CG2 VAL A 46 -11.464 4.693 -0.015 1.00 0.00 C ATOM 0 H VAL A 46 -10.219 2.388 -0.384 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.690 4.103 -2.080 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.526 5.724 -1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.402 4.385 -2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.857 4.022 -3.402 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.523 2.889 -2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.449 5.124 -0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.576 3.671 0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.938 5.288 0.732 1.00 0.00 H new ATOM 739 N LYS A 47 -8.381 4.437 1.163 1.00 0.00 N ATOM 740 CA LYS A 47 -7.625 5.082 2.251 1.00 0.00 C ATOM 741 C LYS A 47 -6.120 4.933 1.982 1.00 0.00 C ATOM 742 O LYS A 47 -5.347 5.873 2.175 1.00 0.00 O ATOM 743 CB LYS A 47 -7.994 4.445 3.618 1.00 0.00 C ATOM 744 CG LYS A 47 -9.507 4.382 3.916 1.00 0.00 C ATOM 745 CD LYS A 47 -10.145 5.765 4.201 1.00 0.00 C ATOM 746 CE LYS A 47 -9.707 6.360 5.554 1.00 0.00 C ATOM 747 NZ LYS A 47 -10.400 7.627 5.886 1.00 0.00 N ATOM 0 H LYS A 47 -8.883 3.599 1.457 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.882 6.141 2.288 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.589 3.434 3.653 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.505 5.012 4.411 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.016 3.925 3.068 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.672 3.732 4.775 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.876 6.455 3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.231 5.669 4.186 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.897 5.632 6.342 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.631 6.536 5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.063 7.976 6.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.199 8.335 5.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.425 7.460 5.934 1.00 0.00 H new ATOM 761 N LEU A 48 -5.721 3.729 1.540 1.00 0.00 N ATOM 762 CA LEU A 48 -4.345 3.465 1.100 1.00 0.00 C ATOM 763 C LEU A 48 -4.027 4.273 -0.162 1.00 0.00 C ATOM 764 O LEU A 48 -2.971 4.891 -0.251 1.00 0.00 O ATOM 765 CB LEU A 48 -4.128 1.948 0.846 1.00 0.00 C ATOM 766 CG LEU A 48 -4.041 1.060 2.121 1.00 0.00 C ATOM 767 CD1 LEU A 48 -3.832 -0.425 1.755 1.00 0.00 C ATOM 768 CD2 LEU A 48 -2.936 1.569 3.080 1.00 0.00 C ATOM 0 H LEU A 48 -6.338 2.919 1.479 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.665 3.776 1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.945 1.581 0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.209 1.821 0.273 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.993 1.135 2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.775 -1.020 2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.668 -0.771 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.905 -0.534 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.897 0.930 3.962 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.972 1.544 2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.160 2.592 3.382 1.00 0.00 H new ATOM 780 N MET A 49 -4.981 4.291 -1.103 1.00 0.00 N ATOM 781 CA MET A 49 -4.832 4.961 -2.395 1.00 0.00 C ATOM 782 C MET A 49 -4.528 6.468 -2.228 1.00 0.00 C ATOM 783 O MET A 49 -3.674 7.011 -2.933 1.00 0.00 O ATOM 784 CB MET A 49 -6.126 4.755 -3.214 1.00 0.00 C ATOM 785 CG MET A 49 -6.032 5.171 -4.680 1.00 0.00 C ATOM 786 SD MET A 49 -7.630 5.129 -5.520 1.00 0.00 S ATOM 787 CE MET A 49 -8.161 3.438 -5.234 1.00 0.00 C ATOM 0 H MET A 49 -5.886 3.835 -0.984 1.00 0.00 H new ATOM 0 HA MET A 49 -3.984 4.523 -2.922 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.404 3.702 -3.167 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.931 5.319 -2.742 1.00 0.00 H new ATOM 0 HG2 MET A 49 -5.620 6.178 -4.742 1.00 0.00 H new ATOM 0 HG3 MET A 49 -5.337 4.510 -5.197 1.00 0.00 H new ATOM 0 HE1 MET A 49 -8.519 3.006 -6.169 1.00 0.00 H new ATOM 0 HE2 MET A 49 -7.322 2.851 -4.861 1.00 0.00 H new ATOM 0 HE3 MET A 49 -8.966 3.429 -4.499 1.00 0.00 H new ATOM 797 N VAL A 50 -5.216 7.116 -1.257 1.00 0.00 N ATOM 798 CA VAL A 50 -5.044 8.560 -0.970 1.00 0.00 C ATOM 799 C VAL A 50 -3.766 8.807 -0.152 1.00 0.00 C ATOM 800 O VAL A 50 -3.158 9.876 -0.258 1.00 0.00 O ATOM 801 CB VAL A 50 -6.282 9.203 -0.219 1.00 0.00 C ATOM 802 CG1 VAL A 50 -7.571 9.089 -1.068 1.00 0.00 C ATOM 803 CG2 VAL A 50 -6.476 8.589 1.192 1.00 0.00 C ATOM 0 H VAL A 50 -5.900 6.657 -0.656 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.965 9.048 -1.942 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.068 10.263 -0.082 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.404 9.539 -0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.430 9.610 -2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.788 8.038 -1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.334 9.055 1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.648 7.516 1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.582 8.764 1.791 1.00 0.00 H new ATOM 813 N TYR A 51 -3.383 7.807 0.672 1.00 0.00 N ATOM 814 CA TYR A 51 -2.163 7.864 1.493 1.00 0.00 C ATOM 815 C TYR A 51 -0.925 7.955 0.589 1.00 0.00 C ATOM 816 O TYR A 51 -0.095 8.838 0.743 1.00 0.00 O ATOM 817 CB TYR A 51 -2.057 6.608 2.392 1.00 0.00 C ATOM 818 CG TYR A 51 -0.794 6.604 3.269 1.00 0.00 C ATOM 819 CD1 TYR A 51 -0.709 7.435 4.392 1.00 0.00 C ATOM 820 CD2 TYR A 51 0.322 5.810 2.963 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.430 7.474 5.172 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.456 5.845 3.746 1.00 0.00 C ATOM 823 CZ TYR A 51 1.506 6.678 4.849 1.00 0.00 C ATOM 824 OH TYR A 51 2.650 6.734 5.613 1.00 0.00 O ATOM 0 H TYR A 51 -3.912 6.942 0.783 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.214 8.749 2.127 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.938 6.550 3.032 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.060 5.717 1.764 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.551 8.058 4.654 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.292 5.161 2.100 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.477 8.126 6.032 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.304 5.223 3.499 1.00 0.00 H new ATOM 0 HH TYR A 51 2.802 5.864 6.038 1.00 0.00 H new ATOM 834 N ILE A 52 -0.846 7.010 -0.347 1.00 0.00 N ATOM 835 CA ILE A 52 0.257 6.877 -1.311 1.00 0.00 C ATOM 836 C ILE A 52 0.243 8.061 -2.304 1.00 0.00 C ATOM 837 O ILE A 52 1.301 8.554 -2.716 1.00 0.00 O ATOM 838 CB ILE A 52 0.098 5.489 -2.030 1.00 0.00 C ATOM 839 CG1 ILE A 52 0.104 4.337 -0.963 1.00 0.00 C ATOM 840 CG2 ILE A 52 1.170 5.243 -3.119 1.00 0.00 C ATOM 841 CD1 ILE A 52 -0.634 3.082 -1.378 1.00 0.00 C ATOM 0 H ILE A 52 -1.564 6.295 -0.463 1.00 0.00 H new ATOM 0 HA ILE A 52 1.225 6.907 -0.811 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.860 5.500 -2.551 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.138 4.076 -0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.338 4.713 -0.041 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.005 4.268 -3.578 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.099 6.019 -3.881 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.161 5.268 -2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.575 2.344 -0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.679 3.322 -1.574 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.180 2.675 -2.281 1.00 0.00 H new ATOM 853 N ARG A 53 -0.976 8.525 -2.640 1.00 0.00 N ATOM 854 CA ARG A 53 -1.194 9.750 -3.439 1.00 0.00 C ATOM 855 C ARG A 53 -0.584 10.985 -2.737 1.00 0.00 C ATOM 856 O ARG A 53 -0.015 11.863 -3.389 1.00 0.00 O ATOM 857 CB ARG A 53 -2.725 9.932 -3.726 1.00 0.00 C ATOM 858 CG ARG A 53 -3.161 11.286 -4.372 1.00 0.00 C ATOM 859 CD ARG A 53 -3.514 12.379 -3.329 1.00 0.00 C ATOM 860 NE ARG A 53 -3.543 13.734 -3.919 1.00 0.00 N ATOM 861 CZ ARG A 53 -3.235 14.872 -3.268 1.00 0.00 C ATOM 862 NH1 ARG A 53 -2.857 14.855 -1.993 1.00 0.00 N ATOM 863 NH2 ARG A 53 -3.324 16.032 -3.903 1.00 0.00 N ATOM 0 H ARG A 53 -1.841 8.060 -2.365 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.682 9.648 -4.396 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.047 9.123 -4.382 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.264 9.814 -2.786 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.357 11.650 -5.012 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.025 11.113 -5.013 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.486 12.157 -2.889 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.784 12.354 -2.520 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.818 13.814 -4.898 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.796 13.969 -1.491 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.628 15.728 -1.517 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.624 16.058 -4.878 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.093 16.898 -3.417 1.00 0.00 H new ATOM 877 N ASP A 54 -0.724 11.044 -1.409 1.00 0.00 N ATOM 878 CA ASP A 54 -0.294 12.209 -0.616 1.00 0.00 C ATOM 879 C ASP A 54 1.228 12.166 -0.354 1.00 0.00 C ATOM 880 O ASP A 54 1.948 13.102 -0.706 1.00 0.00 O ATOM 881 CB ASP A 54 -1.086 12.242 0.714 1.00 0.00 C ATOM 882 CG ASP A 54 -0.791 13.482 1.571 1.00 0.00 C ATOM 883 OD1 ASP A 54 -1.192 14.597 1.170 1.00 0.00 O ATOM 884 OD2 ASP A 54 -0.160 13.352 2.646 1.00 0.00 O ATOM 0 H ASP A 54 -1.135 10.294 -0.853 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.502 13.120 -1.177 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.153 12.208 0.493 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.851 11.347 1.290 1.00 0.00 H new ATOM 889 N GLU A 55 1.687 11.051 0.250 1.00 0.00 N ATOM 890 CA GLU A 55 3.097 10.825 0.652 1.00 0.00 C ATOM 891 C GLU A 55 4.072 10.893 -0.538 1.00 0.00 C ATOM 892 O GLU A 55 4.886 11.817 -0.639 1.00 0.00 O ATOM 893 CB GLU A 55 3.235 9.429 1.345 1.00 0.00 C ATOM 894 CG GLU A 55 2.611 9.330 2.743 1.00 0.00 C ATOM 895 CD GLU A 55 3.349 10.181 3.787 1.00 0.00 C ATOM 896 OE1 GLU A 55 4.496 9.829 4.135 1.00 0.00 O ATOM 897 OE2 GLU A 55 2.805 11.208 4.248 1.00 0.00 O ATOM 0 H GLU A 55 1.079 10.265 0.478 1.00 0.00 H new ATOM 0 HA GLU A 55 3.361 11.625 1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.775 8.676 0.705 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.294 9.181 1.419 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.569 9.647 2.694 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.613 8.288 3.063 1.00 0.00 H new ATOM 904 N MET A 56 3.961 9.905 -1.435 1.00 0.00 N ATOM 905 CA MET A 56 4.939 9.673 -2.517 1.00 0.00 C ATOM 906 C MET A 56 4.398 10.145 -3.880 1.00 0.00 C ATOM 907 O MET A 56 5.062 9.963 -4.907 1.00 0.00 O ATOM 908 CB MET A 56 5.352 8.173 -2.531 1.00 0.00 C ATOM 909 CG MET A 56 4.191 7.172 -2.630 1.00 0.00 C ATOM 910 SD MET A 56 4.537 5.628 -1.758 1.00 0.00 S ATOM 911 CE MET A 56 4.738 6.228 -0.073 1.00 0.00 C ATOM 0 H MET A 56 3.189 9.239 -1.435 1.00 0.00 H new ATOM 0 HA MET A 56 5.831 10.270 -2.325 1.00 0.00 H new ATOM 0 HB2 MET A 56 6.026 8.007 -3.372 1.00 0.00 H new ATOM 0 HB3 MET A 56 5.917 7.960 -1.623 1.00 0.00 H new ATOM 0 HG2 MET A 56 3.289 7.624 -2.218 1.00 0.00 H new ATOM 0 HG3 MET A 56 3.989 6.956 -3.679 1.00 0.00 H new ATOM 0 HE1 MET A 56 5.770 6.079 0.246 1.00 0.00 H new ATOM 0 HE2 MET A 56 4.496 7.290 -0.034 1.00 0.00 H new ATOM 0 HE3 MET A 56 4.070 5.679 0.591 1.00 0.00 H new ATOM 921 N GLY A 57 3.203 10.780 -3.865 1.00 0.00 N ATOM 922 CA GLY A 57 2.614 11.386 -5.063 1.00 0.00 C ATOM 923 C GLY A 57 2.217 10.368 -6.120 1.00 0.00 C ATOM 924 O GLY A 57 2.364 10.624 -7.318 1.00 0.00 O ATOM 0 H GLY A 57 2.631 10.882 -3.026 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.735 11.962 -4.775 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.328 12.088 -5.495 1.00 0.00 H new ATOM 928 N VAL A 58 1.706 9.204 -5.673 1.00 0.00 N ATOM 929 CA VAL A 58 1.342 8.079 -6.563 1.00 0.00 C ATOM 930 C VAL A 58 -0.121 7.678 -6.328 1.00 0.00 C ATOM 931 O VAL A 58 -0.472 7.166 -5.261 1.00 0.00 O ATOM 932 CB VAL A 58 2.267 6.829 -6.314 1.00 0.00 C ATOM 933 CG1 VAL A 58 1.903 5.642 -7.249 1.00 0.00 C ATOM 934 CG2 VAL A 58 3.759 7.208 -6.435 1.00 0.00 C ATOM 0 H VAL A 58 1.533 9.015 -4.686 1.00 0.00 H new ATOM 0 HA VAL A 58 1.477 8.411 -7.592 1.00 0.00 H new ATOM 0 HB VAL A 58 2.091 6.493 -5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.565 4.801 -7.044 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.870 5.342 -7.071 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.018 5.949 -8.288 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.374 6.326 -6.258 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.957 7.594 -7.435 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.001 7.973 -5.697 1.00 0.00 H new ATOM 944 N SER A 59 -0.965 7.905 -7.337 1.00 0.00 N ATOM 945 CA SER A 59 -2.375 7.494 -7.314 1.00 0.00 C ATOM 946 C SER A 59 -2.512 6.136 -8.015 1.00 0.00 C ATOM 947 O SER A 59 -1.931 5.916 -9.086 1.00 0.00 O ATOM 948 CB SER A 59 -3.265 8.552 -7.998 1.00 0.00 C ATOM 949 OG SER A 59 -4.627 8.153 -8.015 1.00 0.00 O ATOM 0 H SER A 59 -0.691 8.380 -8.197 1.00 0.00 H new ATOM 0 HA SER A 59 -2.707 7.403 -6.280 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.170 9.503 -7.474 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.920 8.715 -9.019 1.00 0.00 H new ATOM 0 HG SER A 59 -5.165 8.845 -8.453 1.00 0.00 H new ATOM 955 N ILE A 60 -3.265 5.225 -7.389 1.00 0.00 N ATOM 956 CA ILE A 60 -3.501 3.883 -7.917 1.00 0.00 C ATOM 957 C ILE A 60 -4.866 3.885 -8.645 1.00 0.00 C ATOM 958 O ILE A 60 -5.898 4.141 -8.007 1.00 0.00 O ATOM 959 CB ILE A 60 -3.489 2.781 -6.784 1.00 0.00 C ATOM 960 CG1 ILE A 60 -2.139 2.760 -5.970 1.00 0.00 C ATOM 961 CG2 ILE A 60 -3.774 1.394 -7.395 1.00 0.00 C ATOM 962 CD1 ILE A 60 -1.968 3.878 -4.955 1.00 0.00 C ATOM 0 H ILE A 60 -3.729 5.402 -6.498 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.694 3.631 -8.605 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.277 3.037 -6.076 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.064 1.806 -5.449 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.309 2.804 -6.675 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.764 0.640 -6.607 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.752 1.403 -7.877 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.008 1.157 -8.133 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.007 3.769 -4.452 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.004 4.841 -5.465 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.770 3.827 -4.219 1.00 0.00 H new ATOM 974 N PRO A 61 -4.898 3.642 -9.997 1.00 0.00 N ATOM 975 CA PRO A 61 -6.174 3.541 -10.755 1.00 0.00 C ATOM 976 C PRO A 61 -6.985 2.278 -10.371 1.00 0.00 C ATOM 977 O PRO A 61 -6.417 1.274 -9.920 1.00 0.00 O ATOM 978 CB PRO A 61 -5.708 3.510 -12.236 1.00 0.00 C ATOM 979 CG PRO A 61 -4.301 2.982 -12.191 1.00 0.00 C ATOM 980 CD PRO A 61 -3.712 3.493 -10.889 1.00 0.00 C ATOM 0 HA PRO A 61 -6.855 4.365 -10.544 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.351 2.869 -12.839 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.742 4.504 -12.681 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.290 1.893 -12.225 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.724 3.333 -13.046 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.986 2.792 -10.476 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.195 4.442 -11.029 1.00 0.00 H new ATOM 988 N SER A 62 -8.313 2.345 -10.575 1.00 0.00 N ATOM 989 CA SER A 62 -9.253 1.288 -10.162 1.00 0.00 C ATOM 990 C SER A 62 -9.056 -0.007 -10.987 1.00 0.00 C ATOM 991 O SER A 62 -9.330 -1.110 -10.499 1.00 0.00 O ATOM 992 CB SER A 62 -10.696 1.810 -10.278 1.00 0.00 C ATOM 993 OG SER A 62 -10.850 3.058 -9.610 1.00 0.00 O ATOM 0 H SER A 62 -8.766 3.136 -11.032 1.00 0.00 H new ATOM 0 HA SER A 62 -9.051 1.031 -9.122 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.961 1.923 -11.329 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.384 1.080 -9.852 1.00 0.00 H new ATOM 0 HG SER A 62 -11.776 3.366 -9.702 1.00 0.00 H new ATOM 999 N THR A 63 -8.563 0.150 -12.237 1.00 0.00 N ATOM 1000 CA THR A 63 -8.176 -0.978 -13.110 1.00 0.00 C ATOM 1001 C THR A 63 -7.025 -1.793 -12.484 1.00 0.00 C ATOM 1002 O THR A 63 -6.945 -3.017 -12.644 1.00 0.00 O ATOM 1003 CB THR A 63 -7.758 -0.472 -14.540 1.00 0.00 C ATOM 1004 OG1 THR A 63 -7.331 -1.570 -15.367 1.00 0.00 O ATOM 1005 CG2 THR A 63 -6.645 0.597 -14.491 1.00 0.00 C ATOM 0 H THR A 63 -8.423 1.064 -12.667 1.00 0.00 H new ATOM 0 HA THR A 63 -9.047 -1.625 -13.212 1.00 0.00 H new ATOM 0 HB THR A 63 -8.645 -0.009 -14.972 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.077 -1.234 -16.252 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.396 0.910 -15.505 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.993 1.458 -13.920 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.759 0.179 -14.013 1.00 0.00 H new ATOM 1013 N HIS A 64 -6.154 -1.090 -11.744 1.00 0.00 N ATOM 1014 CA HIS A 64 -4.966 -1.676 -11.121 1.00 0.00 C ATOM 1015 C HIS A 64 -5.318 -2.373 -9.782 1.00 0.00 C ATOM 1016 O HIS A 64 -4.533 -3.203 -9.295 1.00 0.00 O ATOM 1017 CB HIS A 64 -3.904 -0.567 -10.908 1.00 0.00 C ATOM 1018 CG HIS A 64 -2.670 -1.046 -10.222 1.00 0.00 C ATOM 1019 ND1 HIS A 64 -2.579 -1.147 -8.853 1.00 0.00 N ATOM 1020 CD2 HIS A 64 -1.503 -1.491 -10.711 1.00 0.00 C ATOM 1021 CE1 HIS A 64 -1.419 -1.633 -8.534 1.00 0.00 C ATOM 1022 NE2 HIS A 64 -0.745 -1.855 -9.645 1.00 0.00 N ATOM 0 H HIS A 64 -6.259 -0.092 -11.562 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.560 -2.441 -11.782 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.631 -0.146 -11.876 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.345 0.239 -10.322 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -3.309 -0.881 -8.192 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.221 -1.549 -11.752 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.066 -1.823 -7.531 1.00 0.00 H new ATOM 1031 N ILE A 65 -6.477 -2.010 -9.180 1.00 0.00 N ATOM 1032 CA ILE A 65 -6.926 -2.598 -7.897 1.00 0.00 C ATOM 1033 C ILE A 65 -7.273 -4.085 -8.103 1.00 0.00 C ATOM 1034 O ILE A 65 -8.402 -4.436 -8.463 1.00 0.00 O ATOM 1035 CB ILE A 65 -8.162 -1.844 -7.263 1.00 0.00 C ATOM 1036 CG1 ILE A 65 -7.941 -0.302 -7.221 1.00 0.00 C ATOM 1037 CG2 ILE A 65 -8.459 -2.384 -5.837 1.00 0.00 C ATOM 1038 CD1 ILE A 65 -6.887 0.174 -6.255 1.00 0.00 C ATOM 0 H ILE A 65 -7.116 -1.313 -9.563 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.100 -2.491 -7.194 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.023 -2.038 -7.902 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.672 0.037 -8.222 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -8.886 0.177 -6.966 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -9.313 -1.853 -5.417 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.685 -3.449 -5.891 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.587 -2.230 -5.201 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.813 1.260 -6.304 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.159 -0.126 -5.243 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.926 -0.268 -6.518 1.00 0.00 H new ATOM 1050 N THR A 66 -6.261 -4.939 -7.928 1.00 0.00 N ATOM 1051 CA THR A 66 -6.392 -6.385 -8.084 1.00 0.00 C ATOM 1052 C THR A 66 -5.362 -7.100 -7.200 1.00 0.00 C ATOM 1053 O THR A 66 -4.296 -6.546 -6.893 1.00 0.00 O ATOM 1054 CB THR A 66 -6.265 -6.833 -9.583 1.00 0.00 C ATOM 1055 OG1 THR A 66 -6.471 -8.250 -9.690 1.00 0.00 O ATOM 1056 CG2 THR A 66 -4.906 -6.469 -10.208 1.00 0.00 C ATOM 0 H THR A 66 -5.320 -4.640 -7.672 1.00 0.00 H new ATOM 0 HA THR A 66 -7.393 -6.669 -7.761 1.00 0.00 H new ATOM 0 HB THR A 66 -7.032 -6.291 -10.136 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.392 -8.522 -10.628 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.881 -6.805 -11.245 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.767 -5.388 -10.173 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.107 -6.955 -9.649 1.00 0.00 H new ATOM 1064 N GLY A 67 -5.685 -8.351 -6.839 1.00 0.00 N ATOM 1065 CA GLY A 67 -4.944 -9.109 -5.834 1.00 0.00 C ATOM 1066 C GLY A 67 -3.479 -9.388 -6.157 1.00 0.00 C ATOM 1067 O GLY A 67 -2.694 -9.690 -5.254 1.00 0.00 O ATOM 0 H GLY A 67 -6.471 -8.862 -7.240 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.991 -8.566 -4.890 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.450 -10.062 -5.679 1.00 0.00 H new ATOM 1071 N LYS A 68 -3.122 -9.273 -7.446 1.00 0.00 N ATOM 1072 CA LYS A 68 -1.753 -9.500 -7.939 1.00 0.00 C ATOM 1073 C LYS A 68 -0.755 -8.498 -7.318 1.00 0.00 C ATOM 1074 O LYS A 68 0.326 -8.866 -6.851 1.00 0.00 O ATOM 1075 CB LYS A 68 -1.724 -9.367 -9.484 1.00 0.00 C ATOM 1076 CG LYS A 68 -2.678 -10.326 -10.233 1.00 0.00 C ATOM 1077 CD LYS A 68 -2.607 -10.169 -11.772 1.00 0.00 C ATOM 1078 CE LYS A 68 -1.194 -10.429 -12.317 1.00 0.00 C ATOM 1079 NZ LYS A 68 -1.124 -10.275 -13.783 1.00 0.00 N ATOM 0 H LYS A 68 -3.781 -9.018 -8.182 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.453 -10.506 -7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.978 -8.341 -9.752 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.706 -9.544 -9.831 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.434 -11.354 -9.966 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.700 -10.145 -9.901 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.308 -10.861 -12.239 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.922 -9.162 -12.048 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.493 -9.739 -11.847 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.881 -11.437 -12.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.153 -10.460 -14.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.773 -10.951 -14.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.397 -9.306 -14.044 1.00 0.00 H new ATOM 1093 N TYR A 69 -1.141 -7.221 -7.347 1.00 0.00 N ATOM 1094 CA TYR A 69 -0.300 -6.108 -6.879 1.00 0.00 C ATOM 1095 C TYR A 69 -0.588 -5.763 -5.408 1.00 0.00 C ATOM 1096 O TYR A 69 0.173 -5.031 -4.785 1.00 0.00 O ATOM 1097 CB TYR A 69 -0.532 -4.882 -7.783 1.00 0.00 C ATOM 1098 CG TYR A 69 -0.346 -5.186 -9.277 1.00 0.00 C ATOM 1099 CD1 TYR A 69 0.926 -5.387 -9.822 1.00 0.00 C ATOM 1100 CD2 TYR A 69 -1.447 -5.302 -10.135 1.00 0.00 C ATOM 1101 CE1 TYR A 69 1.093 -5.685 -11.160 1.00 0.00 C ATOM 1102 CE2 TYR A 69 -1.280 -5.596 -11.472 1.00 0.00 C ATOM 1103 CZ TYR A 69 -0.010 -5.790 -11.976 1.00 0.00 C ATOM 1104 OH TYR A 69 0.160 -6.085 -13.311 1.00 0.00 O ATOM 0 H TYR A 69 -2.052 -6.924 -7.698 1.00 0.00 H new ATOM 0 HA TYR A 69 0.745 -6.411 -6.938 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.541 -4.504 -7.619 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.157 -4.089 -7.492 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.794 -5.308 -9.184 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.443 -5.159 -9.743 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.083 -5.835 -11.564 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.139 -5.674 -12.122 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.715 -6.125 -13.751 1.00 0.00 H new ATOM 1114 N PHE A 70 -1.696 -6.299 -4.870 1.00 0.00 N ATOM 1115 CA PHE A 70 -2.172 -5.986 -3.506 1.00 0.00 C ATOM 1116 C PHE A 70 -2.047 -7.204 -2.576 1.00 0.00 C ATOM 1117 O PHE A 70 -2.657 -7.229 -1.500 1.00 0.00 O ATOM 1118 CB PHE A 70 -3.638 -5.465 -3.580 1.00 0.00 C ATOM 1119 CG PHE A 70 -3.723 -4.014 -4.062 1.00 0.00 C ATOM 1120 CD1 PHE A 70 -3.812 -3.697 -5.419 1.00 0.00 C ATOM 1121 CD2 PHE A 70 -3.667 -2.962 -3.148 1.00 0.00 C ATOM 1122 CE1 PHE A 70 -3.839 -2.380 -5.840 1.00 0.00 C ATOM 1123 CE2 PHE A 70 -3.701 -1.648 -3.571 1.00 0.00 C ATOM 1124 CZ PHE A 70 -3.787 -1.356 -4.913 1.00 0.00 C ATOM 0 H PHE A 70 -2.290 -6.963 -5.367 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.544 -5.204 -3.079 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.213 -6.102 -4.253 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.098 -5.544 -2.595 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.860 -4.491 -6.150 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.596 -3.179 -2.092 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.901 -2.151 -6.894 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.660 -0.848 -2.847 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.814 -0.328 -5.242 1.00 0.00 H new ATOM 1134 N LYS A 71 -1.222 -8.194 -2.987 1.00 0.00 N ATOM 1135 CA LYS A 71 -0.965 -9.405 -2.187 1.00 0.00 C ATOM 1136 C LYS A 71 -0.114 -9.058 -0.948 1.00 0.00 C ATOM 1137 O LYS A 71 -0.425 -9.491 0.165 1.00 0.00 O ATOM 1138 CB LYS A 71 -0.274 -10.502 -3.046 1.00 0.00 C ATOM 1139 CG LYS A 71 1.108 -10.110 -3.630 1.00 0.00 C ATOM 1140 CD LYS A 71 1.818 -11.263 -4.373 1.00 0.00 C ATOM 1141 CE LYS A 71 1.015 -11.761 -5.584 1.00 0.00 C ATOM 1142 NZ LYS A 71 1.745 -12.787 -6.357 1.00 0.00 N ATOM 0 H LYS A 71 -0.721 -8.173 -3.875 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.921 -9.802 -1.847 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.152 -11.396 -2.435 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.937 -10.767 -3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.978 -9.273 -4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.749 -9.762 -2.820 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.800 -10.927 -4.705 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.981 -12.091 -3.683 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.065 -12.174 -5.243 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.781 -10.918 -6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.164 -13.093 -7.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.639 -12.387 -6.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.946 -13.604 -5.746 1.00 0.00 H new ATOM 1156 N ASP A 72 0.940 -8.238 -1.161 1.00 0.00 N ATOM 1157 CA ASP A 72 1.884 -7.822 -0.111 1.00 0.00 C ATOM 1158 C ASP A 72 2.524 -6.488 -0.508 1.00 0.00 C ATOM 1159 O ASP A 72 2.354 -6.031 -1.641 1.00 0.00 O ATOM 1160 CB ASP A 72 2.983 -8.914 0.153 1.00 0.00 C ATOM 1161 CG ASP A 72 4.199 -8.872 -0.793 1.00 0.00 C ATOM 1162 OD1 ASP A 72 4.027 -9.038 -2.021 1.00 0.00 O ATOM 1163 OD2 ASP A 72 5.332 -8.649 -0.307 1.00 0.00 O ATOM 0 H ASP A 72 1.157 -7.845 -2.077 1.00 0.00 H new ATOM 0 HA ASP A 72 1.333 -7.698 0.821 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.338 -8.807 1.178 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.519 -9.897 0.077 1.00 0.00 H new ATOM 1168 N LEU A 73 3.309 -5.913 0.412 1.00 0.00 N ATOM 1169 CA LEU A 73 3.916 -4.580 0.239 1.00 0.00 C ATOM 1170 C LEU A 73 5.007 -4.540 -0.822 1.00 0.00 C ATOM 1171 O LEU A 73 5.276 -3.465 -1.362 1.00 0.00 O ATOM 1172 CB LEU A 73 4.493 -4.091 1.567 1.00 0.00 C ATOM 1173 CG LEU A 73 3.476 -3.637 2.628 1.00 0.00 C ATOM 1174 CD1 LEU A 73 4.209 -3.353 3.935 1.00 0.00 C ATOM 1175 CD2 LEU A 73 2.689 -2.401 2.129 1.00 0.00 C ATOM 0 H LEU A 73 3.544 -6.357 1.300 1.00 0.00 H new ATOM 0 HA LEU A 73 3.114 -3.925 -0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.097 -4.892 1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.167 -3.259 1.361 1.00 0.00 H new ATOM 0 HG LEU A 73 2.749 -4.429 2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.493 -3.031 4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.712 -4.259 4.274 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.947 -2.567 3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.974 -2.093 2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.383 -1.584 1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.156 -2.655 1.213 1.00 0.00 H new ATOM 1187 N ASN A 74 5.672 -5.672 -1.085 1.00 0.00 N ATOM 1188 CA ASN A 74 6.675 -5.720 -2.163 1.00 0.00 C ATOM 1189 C ASN A 74 5.987 -5.572 -3.527 1.00 0.00 C ATOM 1190 O ASN A 74 6.487 -4.868 -4.407 1.00 0.00 O ATOM 1191 CB ASN A 74 7.523 -7.015 -2.132 1.00 0.00 C ATOM 1192 CG ASN A 74 8.558 -7.023 -1.010 1.00 0.00 C ATOM 1193 OD1 ASN A 74 9.677 -6.538 -1.178 1.00 0.00 O ATOM 1194 ND2 ASN A 74 8.212 -7.587 0.131 1.00 0.00 N ATOM 0 H ASN A 74 5.541 -6.549 -0.581 1.00 0.00 H new ATOM 0 HA ASN A 74 7.359 -4.887 -2.002 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.861 -7.873 -2.015 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.032 -7.133 -3.089 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.879 -7.629 0.902 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.278 -7.981 0.243 1.00 0.00 H new ATOM 1201 N ALA A 75 4.820 -6.236 -3.673 1.00 0.00 N ATOM 1202 CA ALA A 75 3.991 -6.146 -4.888 1.00 0.00 C ATOM 1203 C ALA A 75 3.327 -4.760 -5.011 1.00 0.00 C ATOM 1204 O ALA A 75 3.060 -4.290 -6.126 1.00 0.00 O ATOM 1205 CB ALA A 75 2.948 -7.260 -4.895 1.00 0.00 C ATOM 0 H ALA A 75 4.430 -6.846 -2.954 1.00 0.00 H new ATOM 0 HA ALA A 75 4.638 -6.273 -5.756 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.341 -7.184 -5.797 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.449 -8.228 -4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.308 -7.165 -4.018 1.00 0.00 H new ATOM 1211 N ILE A 76 3.046 -4.126 -3.851 1.00 0.00 N ATOM 1212 CA ILE A 76 2.587 -2.723 -3.797 1.00 0.00 C ATOM 1213 C ILE A 76 3.696 -1.808 -4.333 1.00 0.00 C ATOM 1214 O ILE A 76 3.486 -1.058 -5.280 1.00 0.00 O ATOM 1215 CB ILE A 76 2.207 -2.270 -2.326 1.00 0.00 C ATOM 1216 CG1 ILE A 76 1.030 -3.112 -1.748 1.00 0.00 C ATOM 1217 CG2 ILE A 76 1.871 -0.749 -2.254 1.00 0.00 C ATOM 1218 CD1 ILE A 76 -0.306 -2.889 -2.422 1.00 0.00 C ATOM 0 H ILE A 76 3.130 -4.568 -2.936 1.00 0.00 H new ATOM 0 HA ILE A 76 1.689 -2.646 -4.410 1.00 0.00 H new ATOM 0 HB ILE A 76 3.088 -2.450 -1.710 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.287 -4.169 -1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.927 -2.885 -0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.616 -0.481 -1.229 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.736 -0.170 -2.576 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.025 -0.532 -2.907 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.061 -3.518 -1.951 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.593 -1.842 -2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.228 -3.146 -3.478 1.00 0.00 H new ATOM 1230 N SER A 77 4.895 -1.948 -3.752 1.00 0.00 N ATOM 1231 CA SER A 77 6.015 -1.022 -3.974 1.00 0.00 C ATOM 1232 C SER A 77 6.537 -1.111 -5.412 1.00 0.00 C ATOM 1233 O SER A 77 6.824 -0.079 -6.018 1.00 0.00 O ATOM 1234 CB SER A 77 7.156 -1.321 -2.983 1.00 0.00 C ATOM 1235 OG SER A 77 8.246 -0.411 -3.108 1.00 0.00 O ATOM 0 H SER A 77 5.117 -2.710 -3.112 1.00 0.00 H new ATOM 0 HA SER A 77 5.648 -0.009 -3.808 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.768 -1.279 -1.965 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.516 -2.337 -3.145 1.00 0.00 H new ATOM 0 HG SER A 77 9.050 -0.807 -2.711 1.00 0.00 H new ATOM 1241 N ARG A 78 6.618 -2.355 -5.952 1.00 0.00 N ATOM 1242 CA ARG A 78 7.175 -2.608 -7.296 1.00 0.00 C ATOM 1243 C ARG A 78 6.346 -1.892 -8.375 1.00 0.00 C ATOM 1244 O ARG A 78 6.894 -1.341 -9.342 1.00 0.00 O ATOM 1245 CB ARG A 78 7.271 -4.132 -7.613 1.00 0.00 C ATOM 1246 CG ARG A 78 5.917 -4.855 -7.750 1.00 0.00 C ATOM 1247 CD ARG A 78 6.043 -6.281 -8.307 1.00 0.00 C ATOM 1248 NE ARG A 78 6.516 -6.259 -9.701 1.00 0.00 N ATOM 1249 CZ ARG A 78 6.634 -7.320 -10.511 1.00 0.00 C ATOM 1250 NH1 ARG A 78 6.299 -8.534 -10.105 1.00 0.00 N ATOM 1251 NH2 ARG A 78 7.073 -7.141 -11.745 1.00 0.00 N ATOM 0 H ARG A 78 6.302 -3.197 -5.471 1.00 0.00 H new ATOM 0 HA ARG A 78 8.188 -2.205 -7.302 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.830 -4.261 -8.540 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.846 -4.616 -6.824 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.434 -4.895 -6.774 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.267 -4.273 -8.403 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.736 -6.856 -7.692 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.077 -6.783 -8.254 1.00 0.00 H new ATOM 0 HE ARG A 78 6.778 -5.352 -10.086 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.943 -8.676 -9.160 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.397 -9.328 -10.737 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.317 -6.205 -12.069 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.168 -7.939 -12.373 1.00 0.00 H new ATOM 1265 N THR A 79 5.016 -1.885 -8.175 1.00 0.00 N ATOM 1266 CA THR A 79 4.081 -1.275 -9.110 1.00 0.00 C ATOM 1267 C THR A 79 3.909 0.225 -8.816 1.00 0.00 C ATOM 1268 O THR A 79 3.531 0.959 -9.706 1.00 0.00 O ATOM 1269 CB THR A 79 2.700 -2.007 -9.106 1.00 0.00 C ATOM 1270 OG1 THR A 79 1.952 -1.643 -10.277 1.00 0.00 O ATOM 1271 CG2 THR A 79 1.862 -1.686 -7.859 1.00 0.00 C ATOM 0 H THR A 79 4.569 -2.304 -7.359 1.00 0.00 H new ATOM 0 HA THR A 79 4.503 -1.380 -10.109 1.00 0.00 H new ATOM 0 HB THR A 79 2.910 -3.077 -9.099 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.998 -1.605 -10.057 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.914 -2.221 -7.910 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.406 -1.995 -6.966 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.671 -0.614 -7.815 1.00 0.00 H new ATOM 1279 N VAL A 80 4.174 0.666 -7.558 1.00 0.00 N ATOM 1280 CA VAL A 80 4.180 2.111 -7.184 1.00 0.00 C ATOM 1281 C VAL A 80 5.349 2.821 -7.887 1.00 0.00 C ATOM 1282 O VAL A 80 5.225 3.983 -8.281 1.00 0.00 O ATOM 1283 CB VAL A 80 4.241 2.316 -5.603 1.00 0.00 C ATOM 1284 CG1 VAL A 80 4.677 3.749 -5.180 1.00 0.00 C ATOM 1285 CG2 VAL A 80 2.877 1.962 -4.950 1.00 0.00 C ATOM 0 H VAL A 80 4.387 0.041 -6.781 1.00 0.00 H new ATOM 0 HA VAL A 80 3.243 2.557 -7.518 1.00 0.00 H new ATOM 0 HB VAL A 80 5.010 1.634 -5.242 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.697 3.817 -4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.671 3.958 -5.575 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.969 4.477 -5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.941 2.109 -3.872 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.100 2.607 -5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.632 0.921 -5.161 1.00 0.00 H new ATOM 1295 N GLU A 81 6.466 2.091 -8.068 1.00 0.00 N ATOM 1296 CA GLU A 81 7.621 2.566 -8.856 1.00 0.00 C ATOM 1297 C GLU A 81 7.204 2.835 -10.318 1.00 0.00 C ATOM 1298 O GLU A 81 7.633 3.818 -10.938 1.00 0.00 O ATOM 1299 CB GLU A 81 8.764 1.519 -8.813 1.00 0.00 C ATOM 1300 CG GLU A 81 9.335 1.269 -7.402 1.00 0.00 C ATOM 1301 CD GLU A 81 10.448 0.199 -7.368 1.00 0.00 C ATOM 1302 OE1 GLU A 81 10.132 -1.008 -7.352 1.00 0.00 O ATOM 1303 OE2 GLU A 81 11.644 0.565 -7.353 1.00 0.00 O ATOM 0 H GLU A 81 6.594 1.159 -7.674 1.00 0.00 H new ATOM 0 HA GLU A 81 7.978 3.498 -8.419 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.394 0.576 -9.216 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.571 1.850 -9.467 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.730 2.205 -7.008 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.525 0.961 -6.741 1.00 0.00 H new ATOM 1310 N GLN A 82 6.344 1.949 -10.843 1.00 0.00 N ATOM 1311 CA GLN A 82 5.830 2.045 -12.222 1.00 0.00 C ATOM 1312 C GLN A 82 4.741 3.136 -12.330 1.00 0.00 C ATOM 1313 O GLN A 82 4.758 3.939 -13.261 1.00 0.00 O ATOM 1314 CB GLN A 82 5.285 0.670 -12.706 1.00 0.00 C ATOM 1315 CG GLN A 82 4.705 0.681 -14.144 1.00 0.00 C ATOM 1316 CD GLN A 82 5.723 1.106 -15.220 1.00 0.00 C ATOM 1317 OE1 GLN A 82 6.923 0.823 -15.119 1.00 0.00 O ATOM 1318 NE2 GLN A 82 5.255 1.813 -16.246 1.00 0.00 N ATOM 0 H GLN A 82 5.985 1.146 -10.326 1.00 0.00 H new ATOM 0 HA GLN A 82 6.658 2.329 -12.871 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.090 -0.064 -12.658 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.509 0.338 -12.017 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.332 -0.315 -14.383 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.851 1.358 -14.177 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.260 2.032 -16.303 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.891 2.136 -16.975 1.00 0.00 H new ATOM 1327 N LEU A 83 3.834 3.176 -11.341 1.00 0.00 N ATOM 1328 CA LEU A 83 2.676 4.104 -11.316 1.00 0.00 C ATOM 1329 C LEU A 83 3.136 5.549 -11.066 1.00 0.00 C ATOM 1330 O LEU A 83 2.444 6.498 -11.447 1.00 0.00 O ATOM 1331 CB LEU A 83 1.650 3.663 -10.233 1.00 0.00 C ATOM 1332 CG LEU A 83 0.848 2.349 -10.516 1.00 0.00 C ATOM 1333 CD1 LEU A 83 -0.057 1.968 -9.321 1.00 0.00 C ATOM 1334 CD2 LEU A 83 0.041 2.452 -11.834 1.00 0.00 C ATOM 0 H LEU A 83 3.878 2.563 -10.527 1.00 0.00 H new ATOM 0 HA LEU A 83 2.190 4.068 -12.291 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.183 3.540 -9.290 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.935 4.474 -10.092 1.00 0.00 H new ATOM 0 HG LEU A 83 1.572 1.544 -10.641 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.599 1.051 -9.553 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.558 1.812 -8.434 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.769 2.772 -9.133 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.504 1.523 -12.000 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.665 3.280 -11.765 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.723 2.626 -12.666 1.00 0.00 H new ATOM 1346 N LYS A 84 4.303 5.700 -10.420 1.00 0.00 N ATOM 1347 CA LYS A 84 4.942 7.008 -10.215 1.00 0.00 C ATOM 1348 C LYS A 84 5.479 7.534 -11.555 1.00 0.00 C ATOM 1349 O LYS A 84 5.450 8.735 -11.807 1.00 0.00 O ATOM 1350 CB LYS A 84 6.083 6.904 -9.170 1.00 0.00 C ATOM 1351 CG LYS A 84 6.679 8.267 -8.729 1.00 0.00 C ATOM 1352 CD LYS A 84 7.652 8.145 -7.531 1.00 0.00 C ATOM 1353 CE LYS A 84 8.848 7.215 -7.814 1.00 0.00 C ATOM 1354 NZ LYS A 84 9.687 7.698 -8.944 1.00 0.00 N ATOM 0 H LYS A 84 4.829 4.920 -10.026 1.00 0.00 H new ATOM 0 HA LYS A 84 4.201 7.708 -9.830 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.705 6.385 -8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.882 6.289 -9.584 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.204 8.717 -9.572 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.867 8.943 -8.462 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.024 9.136 -7.271 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.106 7.772 -6.664 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.462 7.135 -6.917 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.481 6.214 -8.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.487 7.049 -9.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.114 7.734 -9.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.047 8.649 -8.727 1.00 0.00 H new ATOM 1368 N ALA A 85 5.954 6.598 -12.411 1.00 0.00 N ATOM 1369 CA ALA A 85 6.428 6.914 -13.775 1.00 0.00 C ATOM 1370 C ALA A 85 5.235 7.256 -14.683 1.00 0.00 C ATOM 1371 O ALA A 85 5.307 8.173 -15.501 1.00 0.00 O ATOM 1372 CB ALA A 85 7.231 5.732 -14.358 1.00 0.00 C ATOM 0 H ALA A 85 6.018 5.608 -12.175 1.00 0.00 H new ATOM 0 HA ALA A 85 7.087 7.780 -13.723 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.571 5.984 -15.362 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.093 5.529 -13.723 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.596 4.847 -14.401 1.00 0.00 H new ATOM 1378 N GLU A 86 4.130 6.515 -14.488 1.00 0.00 N ATOM 1379 CA GLU A 86 2.885 6.683 -15.252 1.00 0.00 C ATOM 1380 C GLU A 86 2.209 8.021 -14.919 1.00 0.00 C ATOM 1381 O GLU A 86 1.639 8.660 -15.803 1.00 0.00 O ATOM 1382 CB GLU A 86 1.934 5.484 -14.980 1.00 0.00 C ATOM 1383 CG GLU A 86 2.473 4.133 -15.496 1.00 0.00 C ATOM 1384 CD GLU A 86 2.637 4.111 -17.022 1.00 0.00 C ATOM 1385 OE1 GLU A 86 1.615 4.218 -17.743 1.00 0.00 O ATOM 1386 OE2 GLU A 86 3.776 3.983 -17.514 1.00 0.00 O ATOM 0 H GLU A 86 4.078 5.775 -13.788 1.00 0.00 H new ATOM 0 HA GLU A 86 3.125 6.700 -16.315 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.757 5.408 -13.907 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.970 5.683 -15.448 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.435 3.926 -15.027 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.794 3.335 -15.195 1.00 0.00 H new ATOM 1393 N SER A 87 2.298 8.438 -13.642 1.00 0.00 N ATOM 1394 CA SER A 87 1.718 9.715 -13.182 1.00 0.00 C ATOM 1395 C SER A 87 2.674 10.895 -13.462 1.00 0.00 C ATOM 1396 O SER A 87 2.212 12.019 -13.691 1.00 0.00 O ATOM 1397 CB SER A 87 1.359 9.648 -11.681 1.00 0.00 C ATOM 1398 OG SER A 87 0.711 10.838 -11.248 1.00 0.00 O ATOM 0 H SER A 87 2.767 7.908 -12.908 1.00 0.00 H new ATOM 0 HA SER A 87 0.800 9.885 -13.745 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.710 8.792 -11.499 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.265 9.492 -11.095 1.00 0.00 H new ATOM 0 HG SER A 87 0.495 10.765 -10.295 1.00 0.00 H new ATOM 1404 N ALA A 88 4.003 10.641 -13.447 1.00 0.00 N ATOM 1405 CA ALA A 88 5.015 11.675 -13.771 1.00 0.00 C ATOM 1406 C ALA A 88 4.912 12.069 -15.253 1.00 0.00 C ATOM 1407 O ALA A 88 4.931 13.256 -15.600 1.00 0.00 O ATOM 1408 CB ALA A 88 6.441 11.182 -13.437 1.00 0.00 C ATOM 0 H ALA A 88 4.400 9.731 -13.214 1.00 0.00 H new ATOM 0 HA ALA A 88 4.815 12.554 -13.158 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.162 11.961 -13.685 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.507 10.952 -12.374 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.661 10.286 -14.017 1.00 0.00 H new ATOM 1414 N LEU A 89 4.772 11.038 -16.113 1.00 0.00 N ATOM 1415 CA LEU A 89 4.631 11.196 -17.572 1.00 0.00 C ATOM 1416 C LEU A 89 3.173 11.537 -17.976 1.00 0.00 C ATOM 1417 O LEU A 89 2.907 11.776 -19.154 1.00 0.00 O ATOM 1418 CB LEU A 89 5.144 9.920 -18.318 1.00 0.00 C ATOM 1419 CG LEU A 89 6.702 9.807 -18.516 1.00 0.00 C ATOM 1420 CD1 LEU A 89 7.491 9.799 -17.179 1.00 0.00 C ATOM 1421 CD2 LEU A 89 7.055 8.578 -19.384 1.00 0.00 C ATOM 0 H LEU A 89 4.754 10.065 -15.809 1.00 0.00 H new ATOM 0 HA LEU A 89 5.251 12.040 -17.875 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.804 9.042 -17.768 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.671 9.884 -19.299 1.00 0.00 H new ATOM 0 HG LEU A 89 7.015 10.709 -19.042 1.00 0.00 H new ATOM 0 HD11 LEU A 89 8.558 9.719 -17.387 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.295 10.723 -16.636 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.174 8.949 -16.575 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.136 8.519 -19.508 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.696 7.672 -18.895 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.582 8.675 -20.361 1.00 0.00 H new ATOM 1433 N GLU A 90 2.244 11.559 -16.997 1.00 0.00 N ATOM 1434 CA GLU A 90 0.851 11.996 -17.220 1.00 0.00 C ATOM 1435 C GLU A 90 0.789 13.543 -17.115 1.00 0.00 C ATOM 1436 CB GLU A 90 -0.118 11.298 -16.201 1.00 0.00 C ATOM 1437 CG GLU A 90 -1.606 11.703 -16.310 1.00 0.00 C ATOM 1438 CD GLU A 90 -2.213 11.430 -17.697 1.00 0.00 C ATOM 1439 OE1 GLU A 90 -2.588 10.270 -17.979 1.00 0.00 O ATOM 1440 OE2 GLU A 90 -2.325 12.375 -18.509 1.00 0.00 O ATOM 0 H GLU A 90 2.437 11.276 -16.036 1.00 0.00 H new ATOM 0 HA GLU A 90 0.522 11.702 -18.217 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.043 10.219 -16.336 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.227 11.517 -15.191 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.179 11.161 -15.558 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.704 12.764 -16.081 1.00 0.00 H new