USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 749 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 41 TYR OH : rot -120:sc= 0.359 USER MOD Set 1.2: A 63 ASN : amide:sc= -5.33! C(o=-5!,f=-6.2!) USER MOD Set 2.1: A 20 THR OG1 : rot -152:sc= -0.42 USER MOD Set 2.2: A 23 SER OG : rot -44:sc= 0.282! USER MOD Single : A 9 SER OG : rot 70:sc= -3.14! USER MOD Single : A 10 THR OG1 : rot 122:sc= 1.21 USER MOD Single : A 14 MET CE :methyl -163:sc= -0.74 (180deg=-1.44) USER MOD Single : A 15 HIS : no HE2:sc= -2.95! C(o=-3!,f=-4!) USER MOD Single : A 16 GLN : amide:sc= -3.66! C(o=-3.7!,f=-2.4!) USER MOD Single : A 18 SER OG : rot -3:sc= 1.02 USER MOD Single : A 21 MET CE :methyl 170:sc= -1.06 (180deg=-1.52) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.145 USER MOD Single : A 30 GLN : amide:sc= -5.02! K(o=-5!,f=-2) USER MOD Single : A 33 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.034) USER MOD Single : A 35 ASN : amide:sc= 0.185 X(o=0.19,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot -80:sc= 1.16 USER MOD Single : A 48 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.909) USER MOD Single : A 50 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.18) USER MOD Single : A 51 ASN : amide:sc= -2.58 K(o=-2.6,f=-0.57) USER MOD Single : A 54 ASN : amide:sc= -0.198 K(o=-0.2,f=-2.5!) USER MOD Single : A 55 SER OG : rot -92:sc= 1.24 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 154:sc= -0.185 (180deg=-0.321) USER MOD Single : A 60 SER OG : rot -149:sc= -1.53! USER MOD Single : A 61 GLN : amide:sc= -0.077 K(o=-0.077,f=-1.3!) USER MOD Single : A 62 THR OG1 : rot 160:sc= -1.67! USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -127:sc= -0.104 (180deg=-0.572) USER MOD Single : A 76 TYR OH : rot 180:sc= 0.938 USER MOD Single : A 79 GLN : amide:sc= -3.1 K(o=-3.1,f=-4.7!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0132 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 120:sc= -3.6! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 CYS SG : rot 39:sc= 0.0119 USER MOD Single : A 98 GLN : amide:sc= -0.23 K(o=-0.23,f=-1.1) USER MOD Single : A 99 THR OG1 : rot -156:sc= 0.979 USER MOD Single : A 101 THR OG1 : rot 11:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.700 -17.230 -4.490 1.00 0.00 N ATOM 60 CA GLY A 7 -1.906 -16.257 -5.218 1.00 0.00 C ATOM 61 C GLY A 7 -0.456 -16.244 -4.776 1.00 0.00 C ATOM 62 O GLY A 7 0.007 -17.138 -4.067 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.956 -16.477 -6.284 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.334 -15.265 -5.077 1.00 0.00 H new ATOM 66 N PRO A 8 0.287 -15.212 -5.201 1.00 0.00 N ATOM 67 CA PRO A 8 1.704 -15.062 -4.858 1.00 0.00 C ATOM 68 C PRO A 8 1.911 -14.731 -3.383 1.00 0.00 C ATOM 69 O PRO A 8 0.964 -14.393 -2.674 1.00 0.00 O ATOM 70 CB PRO A 8 2.161 -13.895 -5.737 1.00 0.00 C ATOM 71 CG PRO A 8 0.922 -13.110 -5.998 1.00 0.00 C ATOM 72 CD PRO A 8 -0.200 -14.110 -6.049 1.00 0.00 C ATOM 0 HA PRO A 8 2.263 -15.983 -5.024 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.914 -13.290 -5.232 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.608 -14.250 -6.666 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.753 -12.374 -5.212 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.998 -12.561 -6.937 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.130 -13.690 -5.667 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.395 -14.443 -7.068 1.00 0.00 H new ATOM 80 N SER A 9 3.156 -14.830 -2.929 1.00 0.00 N ATOM 81 CA SER A 9 3.487 -14.544 -1.538 1.00 0.00 C ATOM 82 C SER A 9 3.025 -13.144 -1.146 1.00 0.00 C ATOM 83 O SER A 9 2.411 -12.434 -1.943 1.00 0.00 O ATOM 84 CB SER A 9 4.995 -14.678 -1.312 1.00 0.00 C ATOM 85 OG SER A 9 5.722 -14.212 -2.436 1.00 0.00 O ATOM 0 H SER A 9 3.952 -15.106 -3.504 1.00 0.00 H new ATOM 0 HA SER A 9 2.967 -15.268 -0.911 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.285 -14.112 -0.427 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.246 -15.721 -1.119 1.00 0.00 H new ATOM 0 HG SER A 9 5.637 -13.238 -2.500 1.00 0.00 H new ATOM 91 N THR A 10 3.326 -12.752 0.088 1.00 0.00 N ATOM 92 CA THR A 10 2.941 -11.438 0.588 1.00 0.00 C ATOM 93 C THR A 10 3.855 -10.993 1.724 1.00 0.00 C ATOM 94 O THR A 10 4.202 -11.783 2.602 1.00 0.00 O ATOM 95 CB THR A 10 1.483 -11.431 1.085 1.00 0.00 C ATOM 96 OG1 THR A 10 0.997 -10.086 1.158 1.00 0.00 O ATOM 97 CG2 THR A 10 1.374 -12.090 2.452 1.00 0.00 C ATOM 0 H THR A 10 3.835 -13.326 0.760 1.00 0.00 H new ATOM 0 HA THR A 10 3.036 -10.742 -0.246 1.00 0.00 H new ATOM 0 HB THR A 10 0.878 -11.998 0.377 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.204 -9.994 0.590 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.335 -12.073 2.782 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.717 -13.122 2.387 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.991 -11.547 3.168 1.00 0.00 H new ATOM 105 N VAL A 11 4.243 -9.722 1.701 1.00 0.00 N ATOM 106 CA VAL A 11 5.116 -9.170 2.731 1.00 0.00 C ATOM 107 C VAL A 11 4.561 -9.440 4.125 1.00 0.00 C ATOM 108 O VAL A 11 3.369 -9.279 4.387 1.00 0.00 O ATOM 109 CB VAL A 11 5.307 -7.652 2.551 1.00 0.00 C ATOM 110 CG1 VAL A 11 6.160 -7.084 3.675 1.00 0.00 C ATOM 111 CG2 VAL A 11 5.927 -7.350 1.195 1.00 0.00 C ATOM 0 H VAL A 11 3.967 -9.055 0.981 1.00 0.00 H new ATOM 0 HA VAL A 11 6.081 -9.665 2.626 1.00 0.00 H new ATOM 0 HB VAL A 11 4.329 -7.173 2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.284 -6.011 3.531 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.671 -7.268 4.632 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.138 -7.566 3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.055 -6.273 1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.898 -7.840 1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.273 -7.720 0.405 1.00 0.00 H new ATOM 121 N PRO A 12 5.444 -9.862 5.042 1.00 0.00 N ATOM 122 CA PRO A 12 5.066 -10.162 6.426 1.00 0.00 C ATOM 123 C PRO A 12 4.699 -8.908 7.212 1.00 0.00 C ATOM 124 O PRO A 12 3.712 -8.892 7.947 1.00 0.00 O ATOM 125 CB PRO A 12 6.327 -10.808 7.006 1.00 0.00 C ATOM 126 CG PRO A 12 7.443 -10.268 6.180 1.00 0.00 C ATOM 127 CD PRO A 12 6.881 -10.076 4.799 1.00 0.00 C ATOM 0 HA PRO A 12 4.182 -10.798 6.478 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.454 -10.553 8.058 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.279 -11.895 6.945 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.809 -9.325 6.587 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.287 -10.958 6.165 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.335 -9.222 4.296 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.057 -10.948 4.169 1.00 0.00 H new ATOM 135 N ILE A 13 5.500 -7.860 7.052 1.00 0.00 N ATOM 136 CA ILE A 13 5.258 -6.602 7.746 1.00 0.00 C ATOM 137 C ILE A 13 5.668 -5.412 6.886 1.00 0.00 C ATOM 138 O ILE A 13 6.421 -5.559 5.924 1.00 0.00 O ATOM 139 CB ILE A 13 6.020 -6.541 9.084 1.00 0.00 C ATOM 140 CG1 ILE A 13 5.585 -5.314 9.888 1.00 0.00 C ATOM 141 CG2 ILE A 13 7.521 -6.514 8.837 1.00 0.00 C ATOM 142 CD1 ILE A 13 5.726 -5.491 11.384 1.00 0.00 C ATOM 0 H ILE A 13 6.322 -7.858 6.448 1.00 0.00 H new ATOM 0 HA ILE A 13 4.187 -6.552 7.944 1.00 0.00 H new ATOM 0 HB ILE A 13 5.782 -7.434 9.662 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.178 -4.455 9.574 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.545 -5.086 9.654 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.046 -6.471 9.791 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.818 -7.415 8.300 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.776 -5.637 8.243 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.400 -4.583 11.890 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.111 -6.329 11.711 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.769 -5.689 11.630 1.00 0.00 H new ATOM 154 N MET A 14 5.169 -4.232 7.240 1.00 0.00 N ATOM 155 CA MET A 14 5.486 -3.015 6.502 1.00 0.00 C ATOM 156 C MET A 14 6.425 -2.121 7.305 1.00 0.00 C ATOM 157 O MET A 14 6.578 -2.292 8.515 1.00 0.00 O ATOM 158 CB MET A 14 4.205 -2.252 6.160 1.00 0.00 C ATOM 159 CG MET A 14 3.592 -2.659 4.829 1.00 0.00 C ATOM 160 SD MET A 14 4.219 -1.685 3.448 1.00 0.00 S ATOM 161 CE MET A 14 2.722 -0.867 2.902 1.00 0.00 C ATOM 0 H MET A 14 4.543 -4.093 8.034 1.00 0.00 H new ATOM 0 HA MET A 14 5.988 -3.301 5.578 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.474 -2.413 6.952 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.422 -1.184 6.139 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.797 -3.714 4.647 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.509 -2.549 4.884 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.868 -0.475 1.895 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.898 -1.581 2.898 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.488 -0.047 3.580 1.00 0.00 H new ATOM 171 N HIS A 15 7.053 -1.167 6.624 1.00 0.00 N ATOM 172 CA HIS A 15 7.977 -0.245 7.276 1.00 0.00 C ATOM 173 C HIS A 15 7.897 1.141 6.644 1.00 0.00 C ATOM 174 O HIS A 15 8.065 1.293 5.435 1.00 0.00 O ATOM 175 CB HIS A 15 9.408 -0.777 7.186 1.00 0.00 C ATOM 176 CG HIS A 15 9.556 -2.183 7.680 1.00 0.00 C ATOM 177 ND1 HIS A 15 10.022 -2.493 8.941 1.00 0.00 N ATOM 178 CD2 HIS A 15 9.295 -3.366 7.076 1.00 0.00 C ATOM 179 CE1 HIS A 15 10.044 -3.805 9.090 1.00 0.00 C ATOM 180 NE2 HIS A 15 9.607 -4.359 7.973 1.00 0.00 N ATOM 0 H HIS A 15 6.939 -1.012 5.622 1.00 0.00 H new ATOM 0 HA HIS A 15 7.692 -0.164 8.325 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.741 -0.728 6.149 1.00 0.00 H new ATOM 0 HB3 HIS A 15 10.066 -0.127 7.763 1.00 0.00 H new ATOM 0 HD1 HIS A 15 10.305 -1.815 9.648 1.00 0.00 H new ATOM 0 HD2 HIS A 15 8.913 -3.504 6.075 1.00 0.00 H new ATOM 0 HE1 HIS A 15 10.365 -4.335 9.975 1.00 0.00 H new ATOM 189 N GLN A 16 7.638 2.149 7.472 1.00 0.00 N ATOM 190 CA GLN A 16 7.534 3.522 6.993 1.00 0.00 C ATOM 191 C GLN A 16 8.897 4.207 7.005 1.00 0.00 C ATOM 192 O GLN A 16 9.695 4.008 7.920 1.00 0.00 O ATOM 193 CB GLN A 16 6.546 4.311 7.854 1.00 0.00 C ATOM 194 CG GLN A 16 6.779 5.813 7.826 1.00 0.00 C ATOM 195 CD GLN A 16 5.509 6.605 8.066 1.00 0.00 C ATOM 196 OE1 GLN A 16 4.714 6.275 8.946 1.00 0.00 O ATOM 197 NE2 GLN A 16 5.311 7.658 7.281 1.00 0.00 N ATOM 0 H GLN A 16 7.497 2.040 8.476 1.00 0.00 H new ATOM 0 HA GLN A 16 7.170 3.496 5.966 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.532 4.103 7.512 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.614 3.960 8.884 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.516 6.077 8.585 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.201 6.094 6.861 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.996 7.896 6.564 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.474 8.229 7.395 1.00 0.00 H new ATOM 206 N VAL A 17 9.156 5.015 5.982 1.00 0.00 N ATOM 207 CA VAL A 17 10.422 5.731 5.874 1.00 0.00 C ATOM 208 C VAL A 17 10.240 7.216 6.164 1.00 0.00 C ATOM 209 O VAL A 17 11.080 7.841 6.812 1.00 0.00 O ATOM 210 CB VAL A 17 11.044 5.564 4.475 1.00 0.00 C ATOM 211 CG1 VAL A 17 12.338 6.356 4.368 1.00 0.00 C ATOM 212 CG2 VAL A 17 11.283 4.093 4.170 1.00 0.00 C ATOM 0 H VAL A 17 8.506 5.190 5.216 1.00 0.00 H new ATOM 0 HA VAL A 17 11.094 5.299 6.616 1.00 0.00 H new ATOM 0 HB VAL A 17 10.344 5.955 3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 17 12.763 6.226 3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.133 7.413 4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.047 5.998 5.115 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.723 3.994 3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 17 11.963 3.673 4.912 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.335 3.556 4.202 1.00 0.00 H new ATOM 222 N SER A 18 9.136 7.777 5.679 1.00 0.00 N ATOM 223 CA SER A 18 8.844 9.191 5.883 1.00 0.00 C ATOM 224 C SER A 18 7.384 9.496 5.565 1.00 0.00 C ATOM 225 O SER A 18 6.641 8.625 5.112 1.00 0.00 O ATOM 226 CB SER A 18 9.759 10.053 5.011 1.00 0.00 C ATOM 227 OG SER A 18 11.100 9.995 5.465 1.00 0.00 O ATOM 0 H SER A 18 8.430 7.274 5.142 1.00 0.00 H new ATOM 0 HA SER A 18 9.026 9.427 6.932 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.707 9.713 3.977 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.412 11.086 5.024 1.00 0.00 H new ATOM 0 HG SER A 18 11.146 9.453 6.280 1.00 0.00 H new ATOM 233 N ALA A 19 6.979 10.738 5.806 1.00 0.00 N ATOM 234 CA ALA A 19 5.608 11.160 5.544 1.00 0.00 C ATOM 235 C ALA A 19 5.474 12.676 5.634 1.00 0.00 C ATOM 236 O ALA A 19 6.180 13.329 6.403 1.00 0.00 O ATOM 237 CB ALA A 19 4.653 10.485 6.518 1.00 0.00 C ATOM 0 H ALA A 19 7.581 11.470 6.183 1.00 0.00 H new ATOM 0 HA ALA A 19 5.348 10.858 4.529 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.633 10.809 6.311 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.720 9.403 6.403 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.921 10.759 7.539 1.00 0.00 H new ATOM 243 N THR A 20 4.563 13.233 4.841 1.00 0.00 N ATOM 244 CA THR A 20 4.337 14.672 4.830 1.00 0.00 C ATOM 245 C THR A 20 2.963 15.018 5.391 1.00 0.00 C ATOM 246 O THR A 20 2.240 14.144 5.869 1.00 0.00 O ATOM 247 CB THR A 20 4.457 15.248 3.406 1.00 0.00 C ATOM 248 OG1 THR A 20 3.231 15.051 2.693 1.00 0.00 O ATOM 249 CG2 THR A 20 5.601 14.590 2.650 1.00 0.00 C ATOM 0 H THR A 20 3.970 12.708 4.198 1.00 0.00 H new ATOM 0 HA THR A 20 5.106 15.117 5.461 1.00 0.00 H new ATOM 0 HB THR A 20 4.663 16.315 3.486 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.417 14.988 1.733 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.666 15.013 1.648 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.537 14.767 3.180 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.421 13.517 2.580 1.00 0.00 H new ATOM 257 N MET A 21 2.608 16.297 5.330 1.00 0.00 N ATOM 258 CA MET A 21 1.318 16.757 5.831 1.00 0.00 C ATOM 259 C MET A 21 0.185 16.295 4.920 1.00 0.00 C ATOM 260 O MET A 21 -0.946 16.106 5.369 1.00 0.00 O ATOM 261 CB MET A 21 1.306 18.283 5.946 1.00 0.00 C ATOM 262 CG MET A 21 1.876 18.798 7.257 1.00 0.00 C ATOM 263 SD MET A 21 1.422 20.512 7.587 1.00 0.00 S ATOM 264 CE MET A 21 -0.350 20.359 7.794 1.00 0.00 C ATOM 0 H MET A 21 3.195 17.033 4.939 1.00 0.00 H new ATOM 0 HA MET A 21 1.165 16.324 6.820 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.877 18.706 5.120 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.281 18.639 5.840 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.523 18.169 8.074 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.962 18.712 7.235 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.754 21.296 8.177 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.810 20.131 6.833 1.00 0.00 H new ATOM 0 HE3 MET A 21 -0.566 19.556 8.499 1.00 0.00 H new ATOM 274 N ARG A 22 0.495 16.116 3.641 1.00 0.00 N ATOM 275 CA ARG A 22 -0.498 15.678 2.668 1.00 0.00 C ATOM 276 C ARG A 22 -0.006 14.451 1.904 1.00 0.00 C ATOM 277 O ARG A 22 -0.382 14.234 0.752 1.00 0.00 O ATOM 278 CB ARG A 22 -0.816 16.808 1.687 1.00 0.00 C ATOM 279 CG ARG A 22 -1.162 18.123 2.366 1.00 0.00 C ATOM 280 CD ARG A 22 -1.009 19.299 1.414 1.00 0.00 C ATOM 281 NE ARG A 22 0.367 19.787 1.364 1.00 0.00 N ATOM 282 CZ ARG A 22 0.746 20.844 0.654 1.00 0.00 C ATOM 283 NH1 ARG A 22 -0.142 21.521 -0.060 1.00 0.00 N ATOM 284 NH2 ARG A 22 2.017 21.226 0.659 1.00 0.00 N ATOM 0 H ARG A 22 1.426 16.268 3.254 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.405 15.409 3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.042 16.961 1.032 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.650 16.505 1.054 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.187 18.084 2.736 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.516 18.268 3.232 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.324 19.000 0.414 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.669 20.108 1.728 1.00 0.00 H new ATOM 0 HE ARG A 22 1.075 19.289 1.903 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.120 21.231 -0.066 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.152 22.332 -0.604 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.703 20.708 1.208 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.308 22.038 0.114 1.00 0.00 H new ATOM 298 N SER A 23 0.835 13.654 2.554 1.00 0.00 N ATOM 299 CA SER A 23 1.382 12.452 1.935 1.00 0.00 C ATOM 300 C SER A 23 1.901 11.484 2.994 1.00 0.00 C ATOM 301 O SER A 23 1.914 11.798 4.184 1.00 0.00 O ATOM 302 CB SER A 23 2.507 12.818 0.966 1.00 0.00 C ATOM 303 OG SER A 23 2.272 14.079 0.364 1.00 0.00 O ATOM 0 H SER A 23 1.153 13.818 3.509 1.00 0.00 H new ATOM 0 HA SER A 23 0.581 11.962 1.381 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.458 12.837 1.499 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.590 12.053 0.194 1.00 0.00 H new ATOM 0 HG SER A 23 1.334 14.139 0.087 1.00 0.00 H new ATOM 309 N ILE A 24 2.329 10.307 2.550 1.00 0.00 N ATOM 310 CA ILE A 24 2.851 9.293 3.459 1.00 0.00 C ATOM 311 C ILE A 24 3.754 8.309 2.723 1.00 0.00 C ATOM 312 O ILE A 24 3.318 7.616 1.803 1.00 0.00 O ATOM 313 CB ILE A 24 1.714 8.514 4.146 1.00 0.00 C ATOM 314 CG1 ILE A 24 0.674 9.482 4.714 1.00 0.00 C ATOM 315 CG2 ILE A 24 2.272 7.622 5.245 1.00 0.00 C ATOM 316 CD1 ILE A 24 -0.472 8.792 5.420 1.00 0.00 C ATOM 0 H ILE A 24 2.325 10.032 1.568 1.00 0.00 H new ATOM 0 HA ILE A 24 3.431 9.818 4.218 1.00 0.00 H new ATOM 0 HB ILE A 24 1.227 7.881 3.404 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.164 10.161 5.412 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.276 10.092 3.903 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.456 7.078 5.721 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.979 6.913 4.814 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.781 8.236 5.988 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.170 9.539 5.797 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.987 8.134 4.720 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.085 8.204 6.253 1.00 0.00 H new ATOM 328 N THR A 25 5.016 8.250 3.136 1.00 0.00 N ATOM 329 CA THR A 25 5.982 7.350 2.518 1.00 0.00 C ATOM 330 C THR A 25 6.056 6.024 3.267 1.00 0.00 C ATOM 331 O THR A 25 6.185 5.998 4.492 1.00 0.00 O ATOM 332 CB THR A 25 7.387 7.979 2.471 1.00 0.00 C ATOM 333 OG1 THR A 25 7.285 9.386 2.224 1.00 0.00 O ATOM 334 CG2 THR A 25 8.235 7.329 1.389 1.00 0.00 C ATOM 0 H THR A 25 5.393 8.815 3.897 1.00 0.00 H new ATOM 0 HA THR A 25 5.639 7.170 1.499 1.00 0.00 H new ATOM 0 HB THR A 25 7.868 7.813 3.435 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.182 9.779 2.197 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.223 7.790 1.375 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.335 6.263 1.596 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.756 7.467 0.420 1.00 0.00 H new ATOM 342 N LEU A 26 5.974 4.925 2.525 1.00 0.00 N ATOM 343 CA LEU A 26 6.033 3.595 3.120 1.00 0.00 C ATOM 344 C LEU A 26 6.997 2.697 2.351 1.00 0.00 C ATOM 345 O LEU A 26 7.367 2.995 1.215 1.00 0.00 O ATOM 346 CB LEU A 26 4.640 2.963 3.145 1.00 0.00 C ATOM 347 CG LEU A 26 3.498 3.875 3.596 1.00 0.00 C ATOM 348 CD1 LEU A 26 2.186 3.439 2.964 1.00 0.00 C ATOM 349 CD2 LEU A 26 3.386 3.878 5.114 1.00 0.00 C ATOM 0 H LEU A 26 5.867 4.929 1.511 1.00 0.00 H new ATOM 0 HA LEU A 26 6.397 3.697 4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.412 2.595 2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.668 2.096 3.805 1.00 0.00 H new ATOM 0 HG LEU A 26 3.717 4.890 3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.385 4.099 3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.271 3.489 1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.960 2.416 3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.568 4.532 5.417 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.190 2.865 5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.319 4.239 5.547 1.00 0.00 H new ATOM 361 N SER A 27 7.397 1.594 2.976 1.00 0.00 N ATOM 362 CA SER A 27 8.319 0.653 2.351 1.00 0.00 C ATOM 363 C SER A 27 8.086 -0.762 2.871 1.00 0.00 C ATOM 364 O SER A 27 7.473 -0.956 3.921 1.00 0.00 O ATOM 365 CB SER A 27 9.767 1.073 2.614 1.00 0.00 C ATOM 366 OG SER A 27 10.677 0.117 2.099 1.00 0.00 O ATOM 0 H SER A 27 7.097 1.330 3.915 1.00 0.00 H new ATOM 0 HA SER A 27 8.135 0.662 1.277 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.956 2.044 2.156 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.926 1.190 3.686 1.00 0.00 H new ATOM 0 HG SER A 27 11.595 0.409 2.278 1.00 0.00 H new ATOM 372 N TRP A 28 8.580 -1.747 2.129 1.00 0.00 N ATOM 373 CA TRP A 28 8.426 -3.145 2.515 1.00 0.00 C ATOM 374 C TRP A 28 9.494 -4.012 1.857 1.00 0.00 C ATOM 375 O TRP A 28 9.978 -3.719 0.763 1.00 0.00 O ATOM 376 CB TRP A 28 7.034 -3.651 2.132 1.00 0.00 C ATOM 377 CG TRP A 28 6.718 -3.477 0.677 1.00 0.00 C ATOM 378 CD1 TRP A 28 6.833 -4.419 -0.305 1.00 0.00 C ATOM 379 CD2 TRP A 28 6.237 -2.288 0.040 1.00 0.00 C ATOM 380 NE1 TRP A 28 6.453 -3.887 -1.514 1.00 0.00 N ATOM 381 CE2 TRP A 28 6.082 -2.582 -1.328 1.00 0.00 C ATOM 382 CE3 TRP A 28 5.921 -1.005 0.494 1.00 0.00 C ATOM 383 CZ2 TRP A 28 5.626 -1.638 -2.245 1.00 0.00 C ATOM 384 CZ3 TRP A 28 5.469 -0.069 -0.417 1.00 0.00 C ATOM 385 CH2 TRP A 28 5.324 -0.389 -1.774 1.00 0.00 C ATOM 0 H TRP A 28 9.090 -1.604 1.257 1.00 0.00 H new ATOM 0 HA TRP A 28 8.545 -3.213 3.596 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.956 -4.707 2.390 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.287 -3.122 2.724 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.173 -5.433 -0.154 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.448 -4.384 -2.405 1.00 0.00 H new ATOM 0 HE3 TRP A 28 6.028 -0.749 1.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.515 -1.883 -3.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.223 0.926 -0.077 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.967 0.364 -2.461 1.00 0.00 H new ATOM 396 N PRO A 29 9.871 -5.105 2.536 1.00 0.00 N ATOM 397 CA PRO A 29 10.886 -6.037 2.036 1.00 0.00 C ATOM 398 C PRO A 29 10.397 -6.835 0.832 1.00 0.00 C ATOM 399 O PRO A 29 9.213 -6.805 0.496 1.00 0.00 O ATOM 400 CB PRO A 29 11.134 -6.965 3.227 1.00 0.00 C ATOM 401 CG PRO A 29 9.874 -6.909 4.020 1.00 0.00 C ATOM 402 CD PRO A 29 9.337 -5.515 3.846 1.00 0.00 C ATOM 0 HA PRO A 29 11.780 -5.518 1.689 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.350 -7.982 2.898 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.988 -6.632 3.817 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.157 -7.650 3.667 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.064 -7.126 5.071 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.247 -5.500 3.858 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.674 -4.852 4.643 1.00 0.00 H new ATOM 410 N GLN A 30 11.315 -7.547 0.187 1.00 0.00 N ATOM 411 CA GLN A 30 10.975 -8.353 -0.980 1.00 0.00 C ATOM 412 C GLN A 30 10.749 -9.809 -0.589 1.00 0.00 C ATOM 413 O GLN A 30 11.562 -10.426 0.100 1.00 0.00 O ATOM 414 CB GLN A 30 12.084 -8.261 -2.030 1.00 0.00 C ATOM 415 CG GLN A 30 11.614 -8.578 -3.440 1.00 0.00 C ATOM 416 CD GLN A 30 11.681 -10.058 -3.759 1.00 0.00 C ATOM 417 OE1 GLN A 30 12.732 -10.687 -3.625 1.00 0.00 O ATOM 418 NE2 GLN A 30 10.558 -10.624 -4.184 1.00 0.00 N ATOM 0 H GLN A 30 12.299 -7.582 0.452 1.00 0.00 H new ATOM 0 HA GLN A 30 10.050 -7.962 -1.403 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.506 -7.256 -2.014 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.886 -8.948 -1.760 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.589 -8.230 -3.564 1.00 0.00 H new ATOM 0 HG3 GLN A 30 12.226 -8.028 -4.155 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.710 -10.065 -4.280 1.00 0.00 H new ATOM 0 HE22 GLN A 30 10.543 -11.618 -4.414 1.00 0.00 H new ATOM 427 N PRO A 31 9.618 -10.374 -1.037 1.00 0.00 N ATOM 428 CA PRO A 31 9.259 -11.765 -0.746 1.00 0.00 C ATOM 429 C PRO A 31 10.159 -12.760 -1.471 1.00 0.00 C ATOM 430 O PRO A 31 10.901 -12.391 -2.380 1.00 0.00 O ATOM 431 CB PRO A 31 7.820 -11.875 -1.258 1.00 0.00 C ATOM 432 CG PRO A 31 7.711 -10.824 -2.309 1.00 0.00 C ATOM 433 CD PRO A 31 8.604 -9.699 -1.864 1.00 0.00 C ATOM 0 HA PRO A 31 9.369 -12.001 0.312 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.620 -12.866 -1.666 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.101 -11.709 -0.456 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.023 -11.209 -3.280 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.681 -10.485 -2.417 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.055 -9.185 -2.712 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.054 -8.951 -1.294 1.00 0.00 H new ATOM 441 N GLU A 32 10.087 -14.023 -1.061 1.00 0.00 N ATOM 442 CA GLU A 32 10.897 -15.071 -1.672 1.00 0.00 C ATOM 443 C GLU A 32 10.015 -16.184 -2.230 1.00 0.00 C ATOM 444 O GLU A 32 10.504 -17.113 -2.872 1.00 0.00 O ATOM 445 CB GLU A 32 11.880 -15.647 -0.651 1.00 0.00 C ATOM 446 CG GLU A 32 12.962 -14.668 -0.228 1.00 0.00 C ATOM 447 CD GLU A 32 13.864 -15.228 0.855 1.00 0.00 C ATOM 448 OE1 GLU A 32 14.491 -16.282 0.619 1.00 0.00 O ATOM 449 OE2 GLU A 32 13.944 -14.610 1.938 1.00 0.00 O ATOM 0 H GLU A 32 9.477 -14.345 -0.309 1.00 0.00 H new ATOM 0 HA GLU A 32 11.458 -14.628 -2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.327 -15.968 0.232 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.350 -16.535 -1.073 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.565 -14.401 -1.096 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.496 -13.750 0.131 1.00 0.00 H new ATOM 456 N GLN A 33 8.714 -16.082 -1.980 1.00 0.00 N ATOM 457 CA GLN A 33 7.764 -17.080 -2.457 1.00 0.00 C ATOM 458 C GLN A 33 6.727 -16.449 -3.379 1.00 0.00 C ATOM 459 O GLN A 33 5.528 -16.703 -3.271 1.00 0.00 O ATOM 460 CB GLN A 33 7.068 -17.757 -1.275 1.00 0.00 C ATOM 461 CG GLN A 33 7.892 -18.862 -0.634 1.00 0.00 C ATOM 462 CD GLN A 33 8.829 -18.344 0.439 1.00 0.00 C ATOM 463 OE1 GLN A 33 10.037 -18.582 0.393 1.00 0.00 O ATOM 464 NE2 GLN A 33 8.277 -17.630 1.413 1.00 0.00 N ATOM 0 H GLN A 33 8.294 -15.319 -1.450 1.00 0.00 H new ATOM 0 HA GLN A 33 8.317 -17.830 -3.023 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.836 -17.004 -0.521 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.119 -18.173 -1.613 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.222 -19.604 -0.199 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.473 -19.370 -1.404 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.272 -17.457 1.412 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.858 -17.254 2.162 1.00 0.00 H new ATOM 473 N PRO A 34 7.198 -15.606 -4.310 1.00 0.00 N ATOM 474 CA PRO A 34 6.328 -14.920 -5.270 1.00 0.00 C ATOM 475 C PRO A 34 5.732 -15.877 -6.298 1.00 0.00 C ATOM 476 O PRO A 34 5.020 -15.458 -7.210 1.00 0.00 O ATOM 477 CB PRO A 34 7.268 -13.922 -5.951 1.00 0.00 C ATOM 478 CG PRO A 34 8.624 -14.521 -5.809 1.00 0.00 C ATOM 479 CD PRO A 34 8.617 -15.257 -4.497 1.00 0.00 C ATOM 0 HA PRO A 34 5.471 -14.455 -4.783 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.005 -13.782 -6.999 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.216 -12.942 -5.476 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.840 -15.198 -6.635 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.394 -13.750 -5.820 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.248 -16.145 -4.531 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.988 -14.633 -3.684 1.00 0.00 H new ATOM 487 N ASN A 35 6.027 -17.164 -6.143 1.00 0.00 N ATOM 488 CA ASN A 35 5.520 -18.180 -7.058 1.00 0.00 C ATOM 489 C ASN A 35 5.687 -17.737 -8.508 1.00 0.00 C ATOM 490 O ASN A 35 4.873 -18.072 -9.368 1.00 0.00 O ATOM 491 CB ASN A 35 4.045 -18.467 -6.767 1.00 0.00 C ATOM 492 CG ASN A 35 3.860 -19.385 -5.574 1.00 0.00 C ATOM 493 OD1 ASN A 35 3.231 -20.438 -5.679 1.00 0.00 O ATOM 494 ND2 ASN A 35 4.408 -18.988 -4.431 1.00 0.00 N ATOM 0 H ASN A 35 6.614 -17.528 -5.393 1.00 0.00 H new ATOM 0 HA ASN A 35 6.098 -19.092 -6.906 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.524 -17.527 -6.583 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.585 -18.920 -7.645 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.316 -19.564 -3.594 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.921 -18.107 -4.390 1.00 0.00 H new ATOM 501 N GLY A 36 6.749 -16.983 -8.773 1.00 0.00 N ATOM 502 CA GLY A 36 7.004 -16.508 -10.120 1.00 0.00 C ATOM 503 C GLY A 36 7.735 -15.179 -10.138 1.00 0.00 C ATOM 504 O GLY A 36 8.606 -14.932 -9.304 1.00 0.00 O ATOM 0 H GLY A 36 7.437 -16.693 -8.079 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.593 -17.250 -10.658 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.058 -16.406 -10.651 1.00 0.00 H new ATOM 508 N ILE A 37 7.380 -14.324 -11.090 1.00 0.00 N ATOM 509 CA ILE A 37 8.009 -13.014 -11.213 1.00 0.00 C ATOM 510 C ILE A 37 7.094 -11.914 -10.686 1.00 0.00 C ATOM 511 O ILE A 37 5.885 -11.932 -10.921 1.00 0.00 O ATOM 512 CB ILE A 37 8.379 -12.702 -12.675 1.00 0.00 C ATOM 513 CG1 ILE A 37 9.481 -13.648 -13.158 1.00 0.00 C ATOM 514 CG2 ILE A 37 8.820 -11.253 -12.812 1.00 0.00 C ATOM 515 CD1 ILE A 37 10.671 -13.714 -12.227 1.00 0.00 C ATOM 0 H ILE A 37 6.661 -14.514 -11.788 1.00 0.00 H new ATOM 0 HA ILE A 37 8.920 -13.044 -10.615 1.00 0.00 H new ATOM 0 HB ILE A 37 7.497 -12.853 -13.298 1.00 0.00 H new ATOM 0 HG12 ILE A 37 9.065 -14.649 -13.274 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.818 -13.327 -14.144 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.078 -11.048 -13.851 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.008 -10.595 -12.503 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.690 -11.076 -12.180 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.412 -14.403 -12.632 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.112 -12.722 -12.130 1.00 0.00 H new ATOM 0 HD13 ILE A 37 10.347 -14.064 -11.247 1.00 0.00 H new ATOM 527 N ILE A 38 7.679 -10.957 -9.974 1.00 0.00 N ATOM 528 CA ILE A 38 6.917 -9.846 -9.416 1.00 0.00 C ATOM 529 C ILE A 38 6.999 -8.617 -10.315 1.00 0.00 C ATOM 530 O ILE A 38 7.990 -7.886 -10.298 1.00 0.00 O ATOM 531 CB ILE A 38 7.415 -9.473 -8.008 1.00 0.00 C ATOM 532 CG1 ILE A 38 7.220 -10.646 -7.046 1.00 0.00 C ATOM 533 CG2 ILE A 38 6.688 -8.237 -7.499 1.00 0.00 C ATOM 534 CD1 ILE A 38 7.834 -10.419 -5.682 1.00 0.00 C ATOM 0 H ILE A 38 8.678 -10.928 -9.770 1.00 0.00 H new ATOM 0 HA ILE A 38 5.880 -10.176 -9.350 1.00 0.00 H new ATOM 0 HB ILE A 38 8.480 -9.247 -8.064 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.153 -10.835 -6.928 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.656 -11.543 -7.487 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.051 -7.986 -6.502 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.874 -7.402 -8.174 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.617 -8.437 -7.455 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.657 -11.292 -5.053 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.907 -10.260 -5.788 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.381 -9.541 -5.221 1.00 0.00 H new ATOM 546 N LEU A 39 5.949 -8.394 -11.099 1.00 0.00 N ATOM 547 CA LEU A 39 5.901 -7.251 -12.004 1.00 0.00 C ATOM 548 C LEU A 39 5.976 -5.939 -11.230 1.00 0.00 C ATOM 549 O LEU A 39 6.926 -5.170 -11.383 1.00 0.00 O ATOM 550 CB LEU A 39 4.619 -7.290 -12.839 1.00 0.00 C ATOM 551 CG LEU A 39 4.372 -8.576 -13.628 1.00 0.00 C ATOM 552 CD1 LEU A 39 2.880 -8.814 -13.808 1.00 0.00 C ATOM 553 CD2 LEU A 39 5.071 -8.517 -14.978 1.00 0.00 C ATOM 0 H LEU A 39 5.121 -8.989 -11.126 1.00 0.00 H new ATOM 0 HA LEU A 39 6.763 -7.309 -12.668 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.771 -7.127 -12.174 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.640 -6.456 -13.540 1.00 0.00 H new ATOM 0 HG LEU A 39 4.787 -9.411 -13.063 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.724 -9.734 -14.372 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.405 -8.902 -12.831 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.441 -7.977 -14.351 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.884 -9.441 -15.525 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.687 -7.672 -15.550 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.144 -8.395 -14.827 1.00 0.00 H new ATOM 565 N ASP A 40 4.971 -5.690 -10.397 1.00 0.00 N ATOM 566 CA ASP A 40 4.926 -4.473 -9.596 1.00 0.00 C ATOM 567 C ASP A 40 4.178 -4.711 -8.288 1.00 0.00 C ATOM 568 O ASP A 40 3.575 -5.767 -8.089 1.00 0.00 O ATOM 569 CB ASP A 40 4.256 -3.344 -10.382 1.00 0.00 C ATOM 570 CG ASP A 40 4.855 -3.167 -11.763 1.00 0.00 C ATOM 571 OD1 ASP A 40 5.983 -2.640 -11.858 1.00 0.00 O ATOM 572 OD2 ASP A 40 4.195 -3.556 -12.750 1.00 0.00 O ATOM 0 H ASP A 40 4.177 -6.315 -10.259 1.00 0.00 H new ATOM 0 HA ASP A 40 5.950 -4.184 -9.361 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.190 -3.553 -10.475 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.351 -2.412 -9.826 1.00 0.00 H new ATOM 577 N TYR A 41 4.222 -3.725 -7.399 1.00 0.00 N ATOM 578 CA TYR A 41 3.552 -3.829 -6.108 1.00 0.00 C ATOM 579 C TYR A 41 2.346 -2.897 -6.044 1.00 0.00 C ATOM 580 O TYR A 41 2.440 -1.719 -6.387 1.00 0.00 O ATOM 581 CB TYR A 41 4.527 -3.499 -4.976 1.00 0.00 C ATOM 582 CG TYR A 41 5.700 -4.449 -4.891 1.00 0.00 C ATOM 583 CD1 TYR A 41 5.614 -5.629 -4.164 1.00 0.00 C ATOM 584 CD2 TYR A 41 6.896 -4.165 -5.540 1.00 0.00 C ATOM 585 CE1 TYR A 41 6.684 -6.499 -4.083 1.00 0.00 C ATOM 586 CE2 TYR A 41 7.971 -5.030 -5.466 1.00 0.00 C ATOM 587 CZ TYR A 41 7.860 -6.195 -4.736 1.00 0.00 C ATOM 588 OH TYR A 41 8.928 -7.060 -4.660 1.00 0.00 O ATOM 0 H TYR A 41 4.715 -2.844 -7.549 1.00 0.00 H new ATOM 0 HA TYR A 41 3.202 -4.855 -5.990 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.901 -2.485 -5.114 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.989 -3.514 -4.028 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.694 -5.871 -3.653 1.00 0.00 H new ATOM 0 HD2 TYR A 41 6.987 -3.253 -6.112 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.600 -7.412 -3.512 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.893 -4.795 -5.977 1.00 0.00 H new ATOM 0 HH TYR A 41 9.695 -6.599 -4.260 1.00 0.00 H new ATOM 598 N GLU A 42 1.214 -3.435 -5.600 1.00 0.00 N ATOM 599 CA GLU A 42 -0.011 -2.652 -5.491 1.00 0.00 C ATOM 600 C GLU A 42 -0.240 -2.197 -4.052 1.00 0.00 C ATOM 601 O GLU A 42 0.020 -2.942 -3.106 1.00 0.00 O ATOM 602 CB GLU A 42 -1.210 -3.469 -5.975 1.00 0.00 C ATOM 603 CG GLU A 42 -1.495 -3.311 -7.460 1.00 0.00 C ATOM 604 CD GLU A 42 -0.758 -4.330 -8.307 1.00 0.00 C ATOM 605 OE1 GLU A 42 -0.506 -5.446 -7.806 1.00 0.00 O ATOM 606 OE2 GLU A 42 -0.432 -4.012 -9.469 1.00 0.00 O ATOM 0 H GLU A 42 1.120 -4.409 -5.310 1.00 0.00 H new ATOM 0 HA GLU A 42 0.096 -1.769 -6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.033 -4.522 -5.758 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.094 -3.171 -5.410 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.567 -3.408 -7.633 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.210 -2.307 -7.776 1.00 0.00 H new ATOM 613 N ILE A 43 -0.726 -0.970 -3.896 1.00 0.00 N ATOM 614 CA ILE A 43 -0.989 -0.417 -2.574 1.00 0.00 C ATOM 615 C ILE A 43 -2.406 0.141 -2.484 1.00 0.00 C ATOM 616 O ILE A 43 -2.815 0.959 -3.307 1.00 0.00 O ATOM 617 CB ILE A 43 0.012 0.699 -2.221 1.00 0.00 C ATOM 618 CG1 ILE A 43 1.432 0.133 -2.140 1.00 0.00 C ATOM 619 CG2 ILE A 43 -0.375 1.362 -0.907 1.00 0.00 C ATOM 620 CD1 ILE A 43 2.150 0.111 -3.471 1.00 0.00 C ATOM 0 H ILE A 43 -0.945 -0.341 -4.668 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.876 -1.234 -1.862 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.015 1.453 -3.008 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.012 0.727 -1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.388 -0.881 -1.743 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.342 2.148 -0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.371 1.795 -0.997 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.373 0.619 -0.110 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.150 -0.302 -3.338 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.593 -0.507 -4.175 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.226 1.126 -3.860 1.00 0.00 H new ATOM 632 N ARG A 44 -3.149 -0.307 -1.477 1.00 0.00 N ATOM 633 CA ARG A 44 -4.520 0.148 -1.279 1.00 0.00 C ATOM 634 C ARG A 44 -4.639 0.975 -0.002 1.00 0.00 C ATOM 635 O ARG A 44 -4.288 0.514 1.084 1.00 0.00 O ATOM 636 CB ARG A 44 -5.472 -1.048 -1.215 1.00 0.00 C ATOM 637 CG ARG A 44 -6.874 -0.687 -0.750 1.00 0.00 C ATOM 638 CD ARG A 44 -7.699 -1.928 -0.452 1.00 0.00 C ATOM 639 NE ARG A 44 -7.890 -2.757 -1.639 1.00 0.00 N ATOM 640 CZ ARG A 44 -8.866 -3.650 -1.763 1.00 0.00 C ATOM 641 NH1 ARG A 44 -9.734 -3.829 -0.777 1.00 0.00 N ATOM 642 NH2 ARG A 44 -8.974 -4.366 -2.874 1.00 0.00 N ATOM 0 H ARG A 44 -2.825 -0.984 -0.786 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.794 0.777 -2.126 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.533 -1.506 -2.202 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.056 -1.797 -0.541 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.813 -0.066 0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.371 -0.094 -1.517 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.205 -2.514 0.323 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.671 -1.631 -0.057 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.238 -2.644 -2.416 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.653 -3.281 0.079 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.482 -4.515 -0.875 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.307 -4.231 -3.634 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.724 -5.051 -2.968 1.00 0.00 H new ATOM 656 N TYR A 45 -5.135 2.200 -0.141 1.00 0.00 N ATOM 657 CA TYR A 45 -5.298 3.093 1.000 1.00 0.00 C ATOM 658 C TYR A 45 -6.686 3.726 1.002 1.00 0.00 C ATOM 659 O TYR A 45 -7.219 4.085 -0.048 1.00 0.00 O ATOM 660 CB TYR A 45 -4.227 4.184 0.976 1.00 0.00 C ATOM 661 CG TYR A 45 -4.243 5.022 -0.282 1.00 0.00 C ATOM 662 CD1 TYR A 45 -3.760 4.517 -1.483 1.00 0.00 C ATOM 663 CD2 TYR A 45 -4.742 6.319 -0.270 1.00 0.00 C ATOM 664 CE1 TYR A 45 -3.772 5.280 -2.635 1.00 0.00 C ATOM 665 CE2 TYR A 45 -4.760 7.088 -1.418 1.00 0.00 C ATOM 666 CZ TYR A 45 -4.274 6.564 -2.597 1.00 0.00 C ATOM 667 OH TYR A 45 -4.289 7.327 -3.742 1.00 0.00 O ATOM 0 H TYR A 45 -5.431 2.597 -1.033 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.187 2.504 1.910 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.365 4.836 1.838 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.246 3.721 1.081 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.369 3.511 -1.517 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.122 6.733 0.652 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.390 4.873 -3.560 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.153 8.094 -1.392 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.675 8.206 -3.545 1.00 0.00 H new ATOM 677 N TYR A 46 -7.265 3.861 2.190 1.00 0.00 N ATOM 678 CA TYR A 46 -8.591 4.450 2.331 1.00 0.00 C ATOM 679 C TYR A 46 -8.793 5.007 3.737 1.00 0.00 C ATOM 680 O TYR A 46 -8.504 4.338 4.728 1.00 0.00 O ATOM 681 CB TYR A 46 -9.669 3.410 2.023 1.00 0.00 C ATOM 682 CG TYR A 46 -9.677 2.243 2.985 1.00 0.00 C ATOM 683 CD1 TYR A 46 -8.883 1.125 2.758 1.00 0.00 C ATOM 684 CD2 TYR A 46 -10.479 2.257 4.119 1.00 0.00 C ATOM 685 CE1 TYR A 46 -8.887 0.056 3.633 1.00 0.00 C ATOM 686 CE2 TYR A 46 -10.488 1.194 5.001 1.00 0.00 C ATOM 687 CZ TYR A 46 -9.691 0.096 4.754 1.00 0.00 C ATOM 688 OH TYR A 46 -9.698 -0.966 5.629 1.00 0.00 O ATOM 0 H TYR A 46 -6.837 3.571 3.069 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.674 5.271 1.619 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.645 3.894 2.044 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.521 3.034 1.011 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.252 1.091 1.882 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -11.106 3.114 4.315 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.265 -0.806 3.441 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -11.116 1.223 5.879 1.00 0.00 H new ATOM 0 HH TYR A 46 -10.271 -1.678 5.275 1.00 0.00 H new ATOM 698 N GLU A 47 -9.292 6.237 3.813 1.00 0.00 N ATOM 699 CA GLU A 47 -9.533 6.885 5.097 1.00 0.00 C ATOM 700 C GLU A 47 -10.062 5.885 6.120 1.00 0.00 C ATOM 701 O GLU A 47 -10.879 5.021 5.798 1.00 0.00 O ATOM 702 CB GLU A 47 -10.526 8.038 4.933 1.00 0.00 C ATOM 703 CG GLU A 47 -9.910 9.292 4.337 1.00 0.00 C ATOM 704 CD GLU A 47 -10.685 10.547 4.690 1.00 0.00 C ATOM 705 OE1 GLU A 47 -10.798 10.856 5.895 1.00 0.00 O ATOM 706 OE2 GLU A 47 -11.177 11.220 3.761 1.00 0.00 O ATOM 0 H GLU A 47 -9.537 6.804 3.001 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.584 7.281 5.459 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.349 7.710 4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.952 8.280 5.906 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.884 9.392 4.691 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.865 9.190 3.253 1.00 0.00 H new ATOM 713 N LYS A 48 -9.591 6.007 7.357 1.00 0.00 N ATOM 714 CA LYS A 48 -10.015 5.115 8.429 1.00 0.00 C ATOM 715 C LYS A 48 -11.537 5.056 8.517 1.00 0.00 C ATOM 716 O LYS A 48 -12.105 4.041 8.920 1.00 0.00 O ATOM 717 CB LYS A 48 -9.435 5.580 9.767 1.00 0.00 C ATOM 718 CG LYS A 48 -9.532 4.538 10.867 1.00 0.00 C ATOM 719 CD LYS A 48 -8.713 4.935 12.085 1.00 0.00 C ATOM 720 CE LYS A 48 -9.491 5.871 12.998 1.00 0.00 C ATOM 721 NZ LYS A 48 -9.336 7.296 12.593 1.00 0.00 N ATOM 0 H LYS A 48 -8.915 6.716 7.641 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.642 4.116 8.205 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.389 5.850 9.625 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.957 6.482 10.086 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.575 4.408 11.155 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.183 3.576 10.490 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.425 4.041 12.638 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.792 5.421 11.763 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.547 5.601 12.980 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.147 5.746 14.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.344 7.900 13.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.435 7.418 12.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.122 7.567 11.967 1.00 0.00 H new ATOM 735 N GLU A 49 -12.191 6.149 8.136 1.00 0.00 N ATOM 736 CA GLU A 49 -13.647 6.219 8.172 1.00 0.00 C ATOM 737 C GLU A 49 -14.251 5.638 6.896 1.00 0.00 C ATOM 738 O GLU A 49 -15.423 5.262 6.867 1.00 0.00 O ATOM 739 CB GLU A 49 -14.106 7.667 8.353 1.00 0.00 C ATOM 740 CG GLU A 49 -13.812 8.230 9.734 1.00 0.00 C ATOM 741 CD GLU A 49 -13.775 9.746 9.750 1.00 0.00 C ATOM 742 OE1 GLU A 49 -13.003 10.328 8.960 1.00 0.00 O ATOM 743 OE2 GLU A 49 -14.518 10.350 10.552 1.00 0.00 O ATOM 0 H GLU A 49 -11.736 6.997 7.799 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.993 5.627 9.020 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.618 8.291 7.604 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.178 7.726 8.167 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.572 7.881 10.434 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.855 7.843 10.084 1.00 0.00 H new ATOM 750 N HIS A 50 -13.442 5.570 5.843 1.00 0.00 N ATOM 751 CA HIS A 50 -13.896 5.036 4.564 1.00 0.00 C ATOM 752 C HIS A 50 -13.787 3.514 4.541 1.00 0.00 C ATOM 753 O HIS A 50 -13.111 2.919 5.379 1.00 0.00 O ATOM 754 CB HIS A 50 -13.079 5.635 3.419 1.00 0.00 C ATOM 755 CG HIS A 50 -13.603 6.952 2.935 1.00 0.00 C ATOM 756 ND1 HIS A 50 -13.588 7.326 1.607 1.00 0.00 N ATOM 757 CD2 HIS A 50 -14.160 7.985 3.609 1.00 0.00 C ATOM 758 CE1 HIS A 50 -14.112 8.532 1.486 1.00 0.00 C ATOM 759 NE2 HIS A 50 -14.467 8.955 2.686 1.00 0.00 N ATOM 0 H HIS A 50 -12.470 5.878 5.850 1.00 0.00 H new ATOM 0 HA HIS A 50 -14.943 5.309 4.435 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.047 5.762 3.747 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -13.064 4.931 2.587 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -14.331 8.037 4.674 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.230 9.080 0.563 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -14.899 9.855 2.894 1.00 0.00 H new ATOM 768 N ASN A 51 -14.458 2.892 3.578 1.00 0.00 N ATOM 769 CA ASN A 51 -14.437 1.440 3.447 1.00 0.00 C ATOM 770 C ASN A 51 -13.541 1.011 2.289 1.00 0.00 C ATOM 771 O ASN A 51 -12.890 1.840 1.656 1.00 0.00 O ATOM 772 CB ASN A 51 -15.855 0.906 3.234 1.00 0.00 C ATOM 773 CG ASN A 51 -16.670 1.784 2.305 1.00 0.00 C ATOM 774 OD1 ASN A 51 -17.354 2.707 2.747 1.00 0.00 O ATOM 775 ND2 ASN A 51 -16.601 1.499 1.010 1.00 0.00 N ATOM 0 H ASN A 51 -15.023 3.371 2.877 1.00 0.00 H new ATOM 0 HA ASN A 51 -14.033 1.023 4.369 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -15.803 -0.102 2.823 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -16.361 0.832 4.197 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -17.128 2.055 0.337 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -16.021 0.724 0.689 1.00 0.00 H new ATOM 782 N GLU A 52 -13.515 -0.291 2.019 1.00 0.00 N ATOM 783 CA GLU A 52 -12.698 -0.830 0.938 1.00 0.00 C ATOM 784 C GLU A 52 -13.270 -0.439 -0.422 1.00 0.00 C ATOM 785 O GLU A 52 -12.558 0.084 -1.280 1.00 0.00 O ATOM 786 CB GLU A 52 -12.609 -2.353 1.047 1.00 0.00 C ATOM 787 CG GLU A 52 -11.582 -2.832 2.059 1.00 0.00 C ATOM 788 CD GLU A 52 -12.071 -2.708 3.489 1.00 0.00 C ATOM 789 OE1 GLU A 52 -13.298 -2.800 3.706 1.00 0.00 O ATOM 790 OE2 GLU A 52 -11.229 -2.520 4.391 1.00 0.00 O ATOM 0 H GLU A 52 -14.050 -0.991 2.533 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.697 -0.408 1.028 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -13.588 -2.747 1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.362 -2.765 0.069 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.333 -3.873 1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.665 -2.255 1.941 1.00 0.00 H new ATOM 797 N PHE A 53 -14.560 -0.696 -0.611 1.00 0.00 N ATOM 798 CA PHE A 53 -15.228 -0.373 -1.867 1.00 0.00 C ATOM 799 C PHE A 53 -14.846 1.026 -2.342 1.00 0.00 C ATOM 800 O PHE A 53 -14.642 1.254 -3.533 1.00 0.00 O ATOM 801 CB PHE A 53 -16.746 -0.471 -1.701 1.00 0.00 C ATOM 802 CG PHE A 53 -17.236 -1.875 -1.490 1.00 0.00 C ATOM 803 CD1 PHE A 53 -16.915 -2.878 -2.391 1.00 0.00 C ATOM 804 CD2 PHE A 53 -18.019 -2.192 -0.392 1.00 0.00 C ATOM 805 CE1 PHE A 53 -17.364 -4.171 -2.200 1.00 0.00 C ATOM 806 CE2 PHE A 53 -18.471 -3.484 -0.195 1.00 0.00 C ATOM 807 CZ PHE A 53 -18.144 -4.474 -1.101 1.00 0.00 C ATOM 0 H PHE A 53 -15.164 -1.127 0.089 1.00 0.00 H new ATOM 0 HA PHE A 53 -14.904 -1.093 -2.618 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -17.051 0.143 -0.854 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -17.228 -0.056 -2.586 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -16.307 -2.646 -3.253 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -18.279 -1.421 0.318 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -17.105 -4.943 -2.909 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -19.079 -3.719 0.666 1.00 0.00 H new ATOM 0 HZ PHE A 53 -18.498 -5.483 -0.950 1.00 0.00 H new ATOM 817 N ASN A 54 -14.752 1.959 -1.400 1.00 0.00 N ATOM 818 CA ASN A 54 -14.396 3.336 -1.721 1.00 0.00 C ATOM 819 C ASN A 54 -12.939 3.618 -1.370 1.00 0.00 C ATOM 820 O ASN A 54 -12.611 4.679 -0.839 1.00 0.00 O ATOM 821 CB ASN A 54 -15.310 4.309 -0.973 1.00 0.00 C ATOM 822 CG ASN A 54 -16.556 4.656 -1.764 1.00 0.00 C ATOM 823 OD1 ASN A 54 -16.696 4.270 -2.924 1.00 0.00 O ATOM 824 ND2 ASN A 54 -17.469 5.389 -1.137 1.00 0.00 N ATOM 0 H ASN A 54 -14.917 1.786 -0.408 1.00 0.00 H new ATOM 0 HA ASN A 54 -14.526 3.477 -2.794 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.600 3.870 -0.018 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.759 5.222 -0.750 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -18.329 5.654 -1.618 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -17.311 5.687 -0.174 1.00 0.00 H new ATOM 831 N SER A 55 -12.068 2.659 -1.669 1.00 0.00 N ATOM 832 CA SER A 55 -10.645 2.802 -1.383 1.00 0.00 C ATOM 833 C SER A 55 -9.869 3.161 -2.646 1.00 0.00 C ATOM 834 O SER A 55 -10.380 3.032 -3.759 1.00 0.00 O ATOM 835 CB SER A 55 -10.092 1.509 -0.780 1.00 0.00 C ATOM 836 OG SER A 55 -10.071 0.468 -1.741 1.00 0.00 O ATOM 0 H SER A 55 -12.323 1.775 -2.109 1.00 0.00 H new ATOM 0 HA SER A 55 -10.524 3.611 -0.663 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.084 1.681 -0.404 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.703 1.210 0.071 1.00 0.00 H new ATOM 0 HG SER A 55 -10.906 -0.043 -1.688 1.00 0.00 H new ATOM 842 N SER A 56 -8.632 3.611 -2.466 1.00 0.00 N ATOM 843 CA SER A 56 -7.786 3.993 -3.590 1.00 0.00 C ATOM 844 C SER A 56 -6.664 2.979 -3.794 1.00 0.00 C ATOM 845 O SER A 56 -6.121 2.436 -2.832 1.00 0.00 O ATOM 846 CB SER A 56 -7.195 5.385 -3.362 1.00 0.00 C ATOM 847 OG SER A 56 -8.217 6.343 -3.145 1.00 0.00 O ATOM 0 H SER A 56 -8.193 3.720 -1.552 1.00 0.00 H new ATOM 0 HA SER A 56 -8.404 4.012 -4.488 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.525 5.363 -2.503 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.597 5.676 -4.226 1.00 0.00 H new ATOM 0 HG SER A 56 -7.814 7.224 -3.000 1.00 0.00 H new ATOM 853 N MET A 57 -6.321 2.729 -5.053 1.00 0.00 N ATOM 854 CA MET A 57 -5.263 1.782 -5.384 1.00 0.00 C ATOM 855 C MET A 57 -4.154 2.462 -6.181 1.00 0.00 C ATOM 856 O MET A 57 -4.421 3.299 -7.043 1.00 0.00 O ATOM 857 CB MET A 57 -5.833 0.606 -6.181 1.00 0.00 C ATOM 858 CG MET A 57 -6.631 -0.371 -5.334 1.00 0.00 C ATOM 859 SD MET A 57 -7.086 -1.863 -6.239 1.00 0.00 S ATOM 860 CE MET A 57 -6.257 -3.116 -5.264 1.00 0.00 C ATOM 0 H MET A 57 -6.761 3.169 -5.861 1.00 0.00 H new ATOM 0 HA MET A 57 -4.839 1.409 -4.452 1.00 0.00 H new ATOM 0 HB2 MET A 57 -6.472 0.992 -6.975 1.00 0.00 H new ATOM 0 HB3 MET A 57 -5.013 0.072 -6.662 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.046 -0.647 -4.456 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.535 0.120 -4.973 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.776 -4.068 -5.378 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.227 -3.221 -5.606 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.263 -2.823 -4.214 1.00 0.00 H new ATOM 870 N ALA A 58 -2.911 2.096 -5.887 1.00 0.00 N ATOM 871 CA ALA A 58 -1.763 2.670 -6.578 1.00 0.00 C ATOM 872 C ALA A 58 -0.699 1.611 -6.847 1.00 0.00 C ATOM 873 O ALA A 58 -0.410 0.776 -5.990 1.00 0.00 O ATOM 874 CB ALA A 58 -1.176 3.815 -5.765 1.00 0.00 C ATOM 0 H ALA A 58 -2.673 1.405 -5.175 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.104 3.058 -7.538 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.319 4.234 -6.293 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.932 4.588 -5.628 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.856 3.443 -4.792 1.00 0.00 H new ATOM 880 N ARG A 59 -0.121 1.651 -8.043 1.00 0.00 N ATOM 881 CA ARG A 59 0.910 0.693 -8.426 1.00 0.00 C ATOM 882 C ARG A 59 2.303 1.272 -8.197 1.00 0.00 C ATOM 883 O ARG A 59 2.501 2.485 -8.271 1.00 0.00 O ATOM 884 CB ARG A 59 0.746 0.295 -9.894 1.00 0.00 C ATOM 885 CG ARG A 59 -0.221 -0.857 -10.109 1.00 0.00 C ATOM 886 CD ARG A 59 -0.696 -0.924 -11.552 1.00 0.00 C ATOM 887 NE ARG A 59 -1.687 0.106 -11.850 1.00 0.00 N ATOM 888 CZ ARG A 59 -1.381 1.296 -12.354 1.00 0.00 C ATOM 889 NH1 ARG A 59 -0.119 1.604 -12.616 1.00 0.00 N ATOM 890 NH2 ARG A 59 -2.340 2.181 -12.599 1.00 0.00 N ATOM 0 H ARG A 59 -0.349 2.336 -8.763 1.00 0.00 H new ATOM 0 HA ARG A 59 0.797 -0.193 -7.801 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.399 1.160 -10.459 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.720 0.020 -10.298 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.264 -1.795 -9.841 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.079 -0.741 -9.447 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.158 -0.810 -12.220 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.125 -1.907 -11.747 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.668 -0.100 -11.661 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.620 0.926 -12.431 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.113 2.519 -13.003 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.313 1.947 -12.400 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.104 3.095 -12.986 1.00 0.00 H new ATOM 904 N SER A 60 3.263 0.397 -7.917 1.00 0.00 N ATOM 905 CA SER A 60 4.637 0.822 -7.673 1.00 0.00 C ATOM 906 C SER A 60 5.624 -0.092 -8.392 1.00 0.00 C ATOM 907 O SER A 60 5.529 -1.316 -8.305 1.00 0.00 O ATOM 908 CB SER A 60 4.931 0.828 -6.172 1.00 0.00 C ATOM 909 OG SER A 60 6.074 1.614 -5.880 1.00 0.00 O ATOM 0 H SER A 60 3.115 -0.610 -7.853 1.00 0.00 H new ATOM 0 HA SER A 60 4.754 1.833 -8.064 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.069 1.218 -5.631 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.089 -0.193 -5.825 1.00 0.00 H new ATOM 0 HG SER A 60 6.531 1.247 -5.095 1.00 0.00 H new ATOM 915 N GLN A 61 6.571 0.512 -9.102 1.00 0.00 N ATOM 916 CA GLN A 61 7.576 -0.246 -9.838 1.00 0.00 C ATOM 917 C GLN A 61 8.729 -0.649 -8.925 1.00 0.00 C ATOM 918 O GLN A 61 9.827 -0.958 -9.392 1.00 0.00 O ATOM 919 CB GLN A 61 8.104 0.574 -11.016 1.00 0.00 C ATOM 920 CG GLN A 61 7.082 0.777 -12.123 1.00 0.00 C ATOM 921 CD GLN A 61 7.725 1.061 -13.466 1.00 0.00 C ATOM 922 OE1 GLN A 61 8.786 0.523 -13.785 1.00 0.00 O ATOM 923 NE2 GLN A 61 7.085 1.910 -14.262 1.00 0.00 N ATOM 0 H GLN A 61 6.664 1.525 -9.183 1.00 0.00 H new ATOM 0 HA GLN A 61 7.104 -1.152 -10.219 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.431 1.548 -10.652 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.981 0.077 -11.430 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.458 -0.113 -12.204 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.424 1.604 -11.857 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.208 2.333 -13.957 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.470 2.139 -15.178 1.00 0.00 H new ATOM 932 N THR A 62 8.475 -0.644 -7.620 1.00 0.00 N ATOM 933 CA THR A 62 9.492 -1.007 -6.642 1.00 0.00 C ATOM 934 C THR A 62 8.866 -1.317 -5.287 1.00 0.00 C ATOM 935 O THR A 62 7.662 -1.152 -5.097 1.00 0.00 O ATOM 936 CB THR A 62 10.532 0.117 -6.469 1.00 0.00 C ATOM 937 OG1 THR A 62 11.310 -0.113 -5.289 1.00 0.00 O ATOM 938 CG2 THR A 62 9.851 1.474 -6.376 1.00 0.00 C ATOM 0 H THR A 62 7.573 -0.392 -7.216 1.00 0.00 H new ATOM 0 HA THR A 62 9.991 -1.899 -7.021 1.00 0.00 H new ATOM 0 HB THR A 62 11.186 0.115 -7.341 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.148 0.391 -5.347 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.605 2.252 -6.254 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.283 1.659 -7.287 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.177 1.485 -5.520 1.00 0.00 H new ATOM 946 N ASN A 63 9.692 -1.768 -4.348 1.00 0.00 N ATOM 947 CA ASN A 63 9.218 -2.101 -3.010 1.00 0.00 C ATOM 948 C ASN A 63 9.028 -0.842 -2.170 1.00 0.00 C ATOM 949 O ASN A 63 8.814 -0.915 -0.960 1.00 0.00 O ATOM 950 CB ASN A 63 10.204 -3.045 -2.318 1.00 0.00 C ATOM 951 CG ASN A 63 9.881 -4.505 -2.570 1.00 0.00 C ATOM 952 OD1 ASN A 63 9.953 -4.981 -3.703 1.00 0.00 O ATOM 953 ND2 ASN A 63 9.523 -5.223 -1.512 1.00 0.00 N ATOM 0 H ASN A 63 10.692 -1.911 -4.489 1.00 0.00 H new ATOM 0 HA ASN A 63 8.254 -2.600 -3.107 1.00 0.00 H new ATOM 0 HB2 ASN A 63 11.214 -2.833 -2.670 1.00 0.00 H new ATOM 0 HB3 ASN A 63 10.194 -2.853 -1.245 1.00 0.00 H new ATOM 0 HD21 ASN A 63 9.294 -6.211 -1.620 1.00 0.00 H new ATOM 0 HD22 ASN A 63 9.477 -4.786 -0.591 1.00 0.00 H new ATOM 960 N THR A 64 9.106 0.315 -2.822 1.00 0.00 N ATOM 961 CA THR A 64 8.943 1.590 -2.137 1.00 0.00 C ATOM 962 C THR A 64 7.958 2.489 -2.875 1.00 0.00 C ATOM 963 O THR A 64 8.119 2.755 -4.066 1.00 0.00 O ATOM 964 CB THR A 64 10.288 2.328 -1.996 1.00 0.00 C ATOM 965 OG1 THR A 64 10.060 3.710 -1.695 1.00 0.00 O ATOM 966 CG2 THR A 64 11.106 2.211 -3.273 1.00 0.00 C ATOM 0 H THR A 64 9.281 0.394 -3.824 1.00 0.00 H new ATOM 0 HA THR A 64 8.553 1.367 -1.144 1.00 0.00 H new ATOM 0 HB THR A 64 10.846 1.866 -1.182 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.920 4.171 -1.605 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.051 2.740 -3.149 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.303 1.160 -3.484 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.551 2.649 -4.102 1.00 0.00 H new ATOM 974 N ALA A 65 6.939 2.955 -2.161 1.00 0.00 N ATOM 975 CA ALA A 65 5.929 3.827 -2.749 1.00 0.00 C ATOM 976 C ALA A 65 5.397 4.821 -1.722 1.00 0.00 C ATOM 977 O ALA A 65 5.194 4.476 -0.557 1.00 0.00 O ATOM 978 CB ALA A 65 4.789 3.000 -3.325 1.00 0.00 C ATOM 0 H ALA A 65 6.791 2.743 -1.174 1.00 0.00 H new ATOM 0 HA ALA A 65 6.397 4.392 -3.555 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.042 3.664 -3.761 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.176 2.334 -4.096 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.331 2.409 -2.532 1.00 0.00 H new ATOM 984 N ARG A 66 5.174 6.055 -2.160 1.00 0.00 N ATOM 985 CA ARG A 66 4.668 7.100 -1.279 1.00 0.00 C ATOM 986 C ARG A 66 3.293 7.577 -1.735 1.00 0.00 C ATOM 987 O ARG A 66 3.075 7.830 -2.921 1.00 0.00 O ATOM 988 CB ARG A 66 5.641 8.279 -1.238 1.00 0.00 C ATOM 989 CG ARG A 66 5.023 9.561 -0.704 1.00 0.00 C ATOM 990 CD ARG A 66 5.989 10.731 -0.812 1.00 0.00 C ATOM 991 NE ARG A 66 5.291 12.013 -0.866 1.00 0.00 N ATOM 992 CZ ARG A 66 5.838 13.129 -1.335 1.00 0.00 C ATOM 993 NH1 ARG A 66 7.083 13.120 -1.790 1.00 0.00 N ATOM 994 NH2 ARG A 66 5.139 14.256 -1.352 1.00 0.00 N ATOM 0 H ARG A 66 5.336 6.356 -3.121 1.00 0.00 H new ATOM 0 HA ARG A 66 4.574 6.681 -0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.496 8.012 -0.617 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.021 8.460 -2.243 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.113 9.787 -1.260 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.734 9.421 0.338 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.666 10.722 0.042 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.602 10.614 -1.706 1.00 0.00 H new ATOM 0 HE ARG A 66 4.331 12.054 -0.525 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.623 12.255 -1.781 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.501 13.978 -2.150 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.180 14.267 -1.005 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.560 15.112 -1.712 1.00 0.00 H new ATOM 1008 N ILE A 67 2.369 7.698 -0.788 1.00 0.00 N ATOM 1009 CA ILE A 67 1.016 8.146 -1.093 1.00 0.00 C ATOM 1010 C ILE A 67 0.889 9.658 -0.940 1.00 0.00 C ATOM 1011 O ILE A 67 1.282 10.224 0.081 1.00 0.00 O ATOM 1012 CB ILE A 67 -0.022 7.461 -0.185 1.00 0.00 C ATOM 1013 CG1 ILE A 67 0.394 6.017 0.104 1.00 0.00 C ATOM 1014 CG2 ILE A 67 -1.399 7.502 -0.830 1.00 0.00 C ATOM 1015 CD1 ILE A 67 0.299 5.108 -1.101 1.00 0.00 C ATOM 0 H ILE A 67 2.533 7.492 0.197 1.00 0.00 H new ATOM 0 HA ILE A 67 0.819 7.870 -2.129 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.069 8.002 0.760 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.419 6.010 0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.235 5.619 0.900 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.122 7.014 -0.176 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.696 8.539 -0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.368 6.983 -1.788 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.609 4.101 -0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.730 5.085 -1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.950 5.482 -1.891 1.00 0.00 H new ATOM 1027 N ASP A 68 0.338 10.306 -1.960 1.00 0.00 N ATOM 1028 CA ASP A 68 0.157 11.753 -1.939 1.00 0.00 C ATOM 1029 C ASP A 68 -1.304 12.121 -2.177 1.00 0.00 C ATOM 1030 O ASP A 68 -1.989 11.495 -2.986 1.00 0.00 O ATOM 1031 CB ASP A 68 1.042 12.415 -2.996 1.00 0.00 C ATOM 1032 CG ASP A 68 0.714 11.948 -4.400 1.00 0.00 C ATOM 1033 OD1 ASP A 68 -0.473 12.009 -4.784 1.00 0.00 O ATOM 1034 OD2 ASP A 68 1.644 11.523 -5.116 1.00 0.00 O ATOM 0 H ASP A 68 0.009 9.852 -2.812 1.00 0.00 H new ATOM 0 HA ASP A 68 0.449 12.117 -0.954 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.923 13.497 -2.939 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.088 12.197 -2.779 1.00 0.00 H new ATOM 1039 N GLY A 69 -1.776 13.141 -1.467 1.00 0.00 N ATOM 1040 CA GLY A 69 -3.154 13.574 -1.615 1.00 0.00 C ATOM 1041 C GLY A 69 -4.009 13.204 -0.420 1.00 0.00 C ATOM 1042 O GLY A 69 -5.115 12.683 -0.576 1.00 0.00 O ATOM 0 H GLY A 69 -1.229 13.675 -0.792 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.179 14.655 -1.755 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.578 13.126 -2.514 1.00 0.00 H new ATOM 1046 N LEU A 70 -3.498 13.471 0.777 1.00 0.00 N ATOM 1047 CA LEU A 70 -4.223 13.161 2.004 1.00 0.00 C ATOM 1048 C LEU A 70 -4.391 14.408 2.867 1.00 0.00 C ATOM 1049 O LEU A 70 -3.870 15.475 2.541 1.00 0.00 O ATOM 1050 CB LEU A 70 -3.488 12.076 2.794 1.00 0.00 C ATOM 1051 CG LEU A 70 -2.969 10.890 1.981 1.00 0.00 C ATOM 1052 CD1 LEU A 70 -1.998 10.061 2.806 1.00 0.00 C ATOM 1053 CD2 LEU A 70 -4.127 10.030 1.494 1.00 0.00 C ATOM 0 H LEU A 70 -2.585 13.901 0.924 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.212 12.795 1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.644 12.537 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.160 11.697 3.564 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.437 11.275 1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.639 9.221 2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.153 10.681 3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.505 9.685 3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.739 9.190 0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.686 9.654 2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.786 10.629 0.865 1.00 0.00 H new ATOM 1065 N ARG A 71 -5.119 14.265 3.969 1.00 0.00 N ATOM 1066 CA ARG A 71 -5.354 15.379 4.880 1.00 0.00 C ATOM 1067 C ARG A 71 -4.412 15.311 6.078 1.00 0.00 C ATOM 1068 O ARG A 71 -3.933 14.244 6.462 1.00 0.00 O ATOM 1069 CB ARG A 71 -6.807 15.376 5.359 1.00 0.00 C ATOM 1070 CG ARG A 71 -7.775 16.007 4.373 1.00 0.00 C ATOM 1071 CD ARG A 71 -7.799 17.522 4.507 1.00 0.00 C ATOM 1072 NE ARG A 71 -8.580 18.154 3.447 1.00 0.00 N ATOM 1073 CZ ARG A 71 -8.104 18.402 2.232 1.00 0.00 C ATOM 1074 NH1 ARG A 71 -6.857 18.073 1.925 1.00 0.00 N ATOM 1075 NH2 ARG A 71 -8.877 18.980 1.321 1.00 0.00 N ATOM 0 H ARG A 71 -5.557 13.389 4.253 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.159 16.305 4.339 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.115 14.348 5.550 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.869 15.909 6.308 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.490 15.735 3.357 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.776 15.610 4.540 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.217 17.793 5.476 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.778 17.904 4.482 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.544 18.419 3.651 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.260 17.628 2.623 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.494 18.265 0.991 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.837 19.234 1.554 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.511 19.170 0.388 1.00 0.00 H new ATOM 1089 N PRO A 72 -4.137 16.477 6.682 1.00 0.00 N ATOM 1090 CA PRO A 72 -3.250 16.576 7.845 1.00 0.00 C ATOM 1091 C PRO A 72 -3.864 15.959 9.097 1.00 0.00 C ATOM 1092 O PRO A 72 -5.078 16.000 9.289 1.00 0.00 O ATOM 1093 CB PRO A 72 -3.069 18.085 8.025 1.00 0.00 C ATOM 1094 CG PRO A 72 -4.289 18.688 7.419 1.00 0.00 C ATOM 1095 CD PRO A 72 -4.672 17.788 6.277 1.00 0.00 C ATOM 0 HA PRO A 72 -2.315 16.036 7.692 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.978 18.350 9.078 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.165 18.437 7.528 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.095 18.756 8.150 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.091 19.701 7.068 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.752 17.755 6.136 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.238 18.126 5.336 1.00 0.00 H new ATOM 1103 N GLY A 73 -3.016 15.388 9.947 1.00 0.00 N ATOM 1104 CA GLY A 73 -3.494 14.771 11.170 1.00 0.00 C ATOM 1105 C GLY A 73 -4.622 13.790 10.922 1.00 0.00 C ATOM 1106 O GLY A 73 -5.661 13.849 11.579 1.00 0.00 O ATOM 0 H GLY A 73 -2.006 15.342 9.810 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.668 14.254 11.659 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.835 15.547 11.855 1.00 0.00 H new ATOM 1110 N MET A 74 -4.419 12.886 9.969 1.00 0.00 N ATOM 1111 CA MET A 74 -5.428 11.887 9.636 1.00 0.00 C ATOM 1112 C MET A 74 -4.793 10.513 9.449 1.00 0.00 C ATOM 1113 O MET A 74 -3.634 10.403 9.050 1.00 0.00 O ATOM 1114 CB MET A 74 -6.176 12.293 8.364 1.00 0.00 C ATOM 1115 CG MET A 74 -7.256 13.336 8.601 1.00 0.00 C ATOM 1116 SD MET A 74 -8.612 12.716 9.615 1.00 0.00 S ATOM 1117 CE MET A 74 -9.425 11.618 8.457 1.00 0.00 C ATOM 0 H MET A 74 -3.565 12.825 9.414 1.00 0.00 H new ATOM 0 HA MET A 74 -6.135 11.831 10.464 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.460 12.681 7.640 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.629 11.407 7.920 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.814 14.207 9.085 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.649 13.671 7.641 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.484 11.871 8.398 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.970 11.726 7.472 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.317 10.588 8.795 1.00 0.00 H new ATOM 1127 N VAL A 75 -5.560 9.467 9.742 1.00 0.00 N ATOM 1128 CA VAL A 75 -5.072 8.100 9.606 1.00 0.00 C ATOM 1129 C VAL A 75 -5.562 7.468 8.308 1.00 0.00 C ATOM 1130 O VAL A 75 -6.716 7.645 7.916 1.00 0.00 O ATOM 1131 CB VAL A 75 -5.519 7.224 10.791 1.00 0.00 C ATOM 1132 CG1 VAL A 75 -5.115 5.775 10.567 1.00 0.00 C ATOM 1133 CG2 VAL A 75 -4.936 7.753 12.093 1.00 0.00 C ATOM 0 H VAL A 75 -6.521 9.541 10.075 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.983 8.153 9.593 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.606 7.266 10.862 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.439 5.172 11.415 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.584 5.403 9.656 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.031 5.710 10.469 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.262 7.122 12.920 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.848 7.742 12.035 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.280 8.774 12.258 1.00 0.00 H new ATOM 1143 N TYR A 76 -4.678 6.730 7.646 1.00 0.00 N ATOM 1144 CA TYR A 76 -5.020 6.072 6.390 1.00 0.00 C ATOM 1145 C TYR A 76 -4.541 4.624 6.385 1.00 0.00 C ATOM 1146 O TYR A 76 -3.339 4.355 6.388 1.00 0.00 O ATOM 1147 CB TYR A 76 -4.407 6.828 5.210 1.00 0.00 C ATOM 1148 CG TYR A 76 -5.003 8.201 4.995 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -4.633 9.274 5.796 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -5.935 8.425 3.989 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -5.176 10.530 5.603 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -6.482 9.677 3.788 1.00 0.00 C ATOM 1153 CZ TYR A 76 -6.100 10.726 4.598 1.00 0.00 C ATOM 1154 OH TYR A 76 -6.642 11.976 4.402 1.00 0.00 O ATOM 0 H TYR A 76 -3.720 6.572 7.958 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.106 6.077 6.291 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.334 6.928 5.372 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.539 6.238 4.303 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -3.909 9.124 6.583 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.237 7.606 3.353 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.879 11.353 6.235 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.205 9.834 3.001 1.00 0.00 H new ATOM 0 HH TYR A 76 -7.275 11.945 3.654 1.00 0.00 H new ATOM 1164 N VAL A 77 -5.490 3.693 6.377 1.00 0.00 N ATOM 1165 CA VAL A 77 -5.166 2.271 6.370 1.00 0.00 C ATOM 1166 C VAL A 77 -4.573 1.850 5.030 1.00 0.00 C ATOM 1167 O VAL A 77 -5.300 1.580 4.074 1.00 0.00 O ATOM 1168 CB VAL A 77 -6.410 1.411 6.662 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -6.036 -0.061 6.734 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -7.079 1.863 7.951 1.00 0.00 C ATOM 0 H VAL A 77 -6.489 3.898 6.375 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.429 2.109 7.157 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.120 1.541 5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.927 -0.653 6.941 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.605 -0.374 5.783 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.307 -0.213 7.530 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.956 1.245 8.142 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.378 1.763 8.779 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.384 2.905 7.857 1.00 0.00 H new ATOM 1180 N VAL A 78 -3.246 1.794 4.968 1.00 0.00 N ATOM 1181 CA VAL A 78 -2.554 1.403 3.746 1.00 0.00 C ATOM 1182 C VAL A 78 -2.129 -0.060 3.799 1.00 0.00 C ATOM 1183 O VAL A 78 -1.750 -0.568 4.853 1.00 0.00 O ATOM 1184 CB VAL A 78 -1.310 2.279 3.501 1.00 0.00 C ATOM 1185 CG1 VAL A 78 -0.694 1.964 2.146 1.00 0.00 C ATOM 1186 CG2 VAL A 78 -1.669 3.754 3.603 1.00 0.00 C ATOM 0 H VAL A 78 -2.629 2.015 5.750 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.257 1.544 2.925 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.571 2.054 4.270 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.183 2.592 1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.399 0.915 2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.424 2.159 1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.779 4.358 3.427 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.425 3.997 2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.060 3.965 4.598 1.00 0.00 H new ATOM 1196 N GLN A 79 -2.196 -0.731 2.653 1.00 0.00 N ATOM 1197 CA GLN A 79 -1.818 -2.137 2.570 1.00 0.00 C ATOM 1198 C GLN A 79 -0.998 -2.406 1.313 1.00 0.00 C ATOM 1199 O GLN A 79 -1.177 -1.747 0.289 1.00 0.00 O ATOM 1200 CB GLN A 79 -3.065 -3.023 2.579 1.00 0.00 C ATOM 1201 CG GLN A 79 -3.674 -3.203 3.960 1.00 0.00 C ATOM 1202 CD GLN A 79 -4.581 -4.414 4.045 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -4.171 -5.481 4.503 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -5.823 -4.256 3.603 1.00 0.00 N ATOM 0 H GLN A 79 -2.508 -0.324 1.771 1.00 0.00 H new ATOM 0 HA GLN A 79 -1.205 -2.375 3.440 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.813 -2.590 1.915 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.808 -4.002 2.174 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.875 -3.300 4.695 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.241 -2.310 4.222 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -6.121 -3.354 3.231 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.479 -5.036 3.635 1.00 0.00 H new ATOM 1213 N VAL A 80 -0.096 -3.380 1.398 1.00 0.00 N ATOM 1214 CA VAL A 80 0.752 -3.737 0.267 1.00 0.00 C ATOM 1215 C VAL A 80 0.493 -5.170 -0.183 1.00 0.00 C ATOM 1216 O VAL A 80 0.143 -6.031 0.624 1.00 0.00 O ATOM 1217 CB VAL A 80 2.245 -3.582 0.614 1.00 0.00 C ATOM 1218 CG1 VAL A 80 2.636 -4.536 1.731 1.00 0.00 C ATOM 1219 CG2 VAL A 80 3.105 -3.811 -0.620 1.00 0.00 C ATOM 0 H VAL A 80 0.066 -3.935 2.238 1.00 0.00 H new ATOM 0 HA VAL A 80 0.502 -3.053 -0.544 1.00 0.00 H new ATOM 0 HB VAL A 80 2.415 -2.564 0.963 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.694 -4.412 1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.043 -4.319 2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.452 -5.562 1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.157 -3.698 -0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.933 -4.817 -1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.842 -3.082 -1.387 1.00 0.00 H new ATOM 1229 N ARG A 81 0.667 -5.419 -1.477 1.00 0.00 N ATOM 1230 CA ARG A 81 0.451 -6.748 -2.036 1.00 0.00 C ATOM 1231 C ARG A 81 1.428 -7.024 -3.175 1.00 0.00 C ATOM 1232 O ARG A 81 2.078 -6.111 -3.684 1.00 0.00 O ATOM 1233 CB ARG A 81 -0.987 -6.886 -2.538 1.00 0.00 C ATOM 1234 CG ARG A 81 -1.298 -6.014 -3.743 1.00 0.00 C ATOM 1235 CD ARG A 81 -2.552 -6.484 -4.463 1.00 0.00 C ATOM 1236 NE ARG A 81 -3.761 -5.885 -3.904 1.00 0.00 N ATOM 1237 CZ ARG A 81 -4.971 -6.420 -4.026 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -5.131 -7.561 -4.683 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -6.023 -5.816 -3.489 1.00 0.00 N ATOM 0 H ARG A 81 0.957 -4.717 -2.158 1.00 0.00 H new ATOM 0 HA ARG A 81 0.624 -7.479 -1.247 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.174 -7.928 -2.797 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.671 -6.630 -1.729 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.428 -4.981 -3.422 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.454 -6.030 -4.432 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.478 -6.232 -5.521 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.622 -7.570 -4.398 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.671 -5.008 -3.392 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.324 -8.029 -5.096 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.061 -7.970 -4.776 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.904 -4.939 -2.981 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.951 -6.228 -3.584 1.00 0.00 H new ATOM 1253 N ALA A 82 1.525 -8.289 -3.571 1.00 0.00 N ATOM 1254 CA ALA A 82 2.421 -8.685 -4.650 1.00 0.00 C ATOM 1255 C ALA A 82 1.641 -9.260 -5.828 1.00 0.00 C ATOM 1256 O ALA A 82 0.757 -10.098 -5.649 1.00 0.00 O ATOM 1257 CB ALA A 82 3.440 -9.696 -4.146 1.00 0.00 C ATOM 0 H ALA A 82 0.994 -9.057 -3.160 1.00 0.00 H new ATOM 0 HA ALA A 82 2.948 -7.796 -4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.103 -9.983 -4.963 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.026 -9.252 -3.342 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.922 -10.579 -3.772 1.00 0.00 H new ATOM 1263 N ARG A 83 1.972 -8.804 -7.031 1.00 0.00 N ATOM 1264 CA ARG A 83 1.301 -9.272 -8.238 1.00 0.00 C ATOM 1265 C ARG A 83 2.279 -9.996 -9.158 1.00 0.00 C ATOM 1266 O ARG A 83 3.416 -9.558 -9.342 1.00 0.00 O ATOM 1267 CB ARG A 83 0.661 -8.096 -8.979 1.00 0.00 C ATOM 1268 CG ARG A 83 -0.014 -8.493 -10.281 1.00 0.00 C ATOM 1269 CD ARG A 83 -0.842 -7.351 -10.850 1.00 0.00 C ATOM 1270 NE ARG A 83 -1.029 -7.477 -12.293 1.00 0.00 N ATOM 1271 CZ ARG A 83 -1.795 -8.403 -12.857 1.00 0.00 C ATOM 1272 NH1 ARG A 83 -2.443 -9.281 -12.104 1.00 0.00 N ATOM 1273 NH2 ARG A 83 -1.915 -8.453 -14.178 1.00 0.00 N ATOM 0 H ARG A 83 2.701 -8.110 -7.196 1.00 0.00 H new ATOM 0 HA ARG A 83 0.521 -9.974 -7.942 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.074 -7.624 -8.328 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.427 -7.350 -9.189 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.742 -8.793 -11.007 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.654 -9.359 -10.111 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.815 -7.329 -10.359 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.352 -6.403 -10.629 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.544 -6.817 -12.901 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.354 -9.246 -11.089 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.031 -9.991 -12.540 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.418 -7.779 -14.761 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.504 -9.165 -14.610 1.00 0.00 H new ATOM 1287 N THR A 84 1.830 -11.107 -9.734 1.00 0.00 N ATOM 1288 CA THR A 84 2.665 -11.893 -10.633 1.00 0.00 C ATOM 1289 C THR A 84 1.881 -12.340 -11.861 1.00 0.00 C ATOM 1290 O THR A 84 0.658 -12.211 -11.910 1.00 0.00 O ATOM 1291 CB THR A 84 3.241 -13.133 -9.925 1.00 0.00 C ATOM 1292 OG1 THR A 84 2.220 -14.125 -9.767 1.00 0.00 O ATOM 1293 CG2 THR A 84 3.811 -12.764 -8.564 1.00 0.00 C ATOM 0 H THR A 84 0.892 -11.483 -9.593 1.00 0.00 H new ATOM 0 HA THR A 84 3.487 -11.249 -10.945 1.00 0.00 H new ATOM 0 HB THR A 84 4.046 -13.534 -10.541 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.595 -14.911 -9.318 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.212 -13.656 -8.083 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.608 -12.031 -8.690 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.023 -12.340 -7.942 1.00 0.00 H new ATOM 1301 N VAL A 85 2.592 -12.868 -12.852 1.00 0.00 N ATOM 1302 CA VAL A 85 1.962 -13.338 -14.080 1.00 0.00 C ATOM 1303 C VAL A 85 0.742 -14.201 -13.777 1.00 0.00 C ATOM 1304 O VAL A 85 -0.169 -14.315 -14.596 1.00 0.00 O ATOM 1305 CB VAL A 85 2.948 -14.147 -14.944 1.00 0.00 C ATOM 1306 CG1 VAL A 85 3.089 -15.563 -14.408 1.00 0.00 C ATOM 1307 CG2 VAL A 85 2.497 -14.160 -16.396 1.00 0.00 C ATOM 0 H VAL A 85 3.605 -12.981 -12.828 1.00 0.00 H new ATOM 0 HA VAL A 85 1.649 -12.453 -14.633 1.00 0.00 H new ATOM 0 HB VAL A 85 3.925 -13.667 -14.896 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.789 -16.120 -15.031 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.462 -15.529 -13.384 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.117 -16.057 -14.424 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.205 -14.736 -16.992 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.509 -14.615 -16.466 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.453 -13.138 -16.772 1.00 0.00 H new ATOM 1317 N ALA A 86 0.732 -14.806 -12.594 1.00 0.00 N ATOM 1318 CA ALA A 86 -0.377 -15.657 -12.181 1.00 0.00 C ATOM 1319 C ALA A 86 -1.614 -14.828 -11.855 1.00 0.00 C ATOM 1320 O ALA A 86 -2.709 -15.114 -12.336 1.00 0.00 O ATOM 1321 CB ALA A 86 0.025 -16.502 -10.981 1.00 0.00 C ATOM 0 H ALA A 86 1.479 -14.723 -11.905 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.624 -16.318 -13.012 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.813 -17.133 -10.683 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.876 -17.130 -11.247 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.300 -15.850 -10.152 1.00 0.00 H new ATOM 1327 N GLY A 87 -1.431 -13.798 -11.034 1.00 0.00 N ATOM 1328 CA GLY A 87 -2.542 -12.943 -10.658 1.00 0.00 C ATOM 1329 C GLY A 87 -2.176 -11.968 -9.556 1.00 0.00 C ATOM 1330 O GLY A 87 -1.017 -11.571 -9.428 1.00 0.00 O ATOM 0 H GLY A 87 -0.534 -13.541 -10.623 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.881 -12.388 -11.532 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.377 -13.561 -10.329 1.00 0.00 H new ATOM 1334 N TYR A 88 -3.165 -11.579 -8.760 1.00 0.00 N ATOM 1335 CA TYR A 88 -2.942 -10.641 -7.666 1.00 0.00 C ATOM 1336 C TYR A 88 -2.697 -11.381 -6.355 1.00 0.00 C ATOM 1337 O TYR A 88 -3.198 -12.486 -6.149 1.00 0.00 O ATOM 1338 CB TYR A 88 -4.141 -9.703 -7.519 1.00 0.00 C ATOM 1339 CG TYR A 88 -4.119 -8.536 -8.479 1.00 0.00 C ATOM 1340 CD1 TYR A 88 -3.479 -7.349 -8.146 1.00 0.00 C ATOM 1341 CD2 TYR A 88 -4.737 -8.621 -9.721 1.00 0.00 C ATOM 1342 CE1 TYR A 88 -3.457 -6.279 -9.020 1.00 0.00 C ATOM 1343 CE2 TYR A 88 -4.718 -7.557 -10.602 1.00 0.00 C ATOM 1344 CZ TYR A 88 -4.077 -6.388 -10.247 1.00 0.00 C ATOM 1345 OH TYR A 88 -4.056 -5.326 -11.121 1.00 0.00 O ATOM 0 H TYR A 88 -4.129 -11.899 -8.852 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.055 -10.052 -7.901 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.058 -10.272 -7.673 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.170 -9.322 -6.498 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.990 -7.261 -7.187 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -5.241 -9.534 -10.002 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.957 -5.362 -8.744 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.202 -7.640 -11.564 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.537 -5.567 -11.940 1.00 0.00 H new ATOM 1355 N GLY A 89 -1.921 -10.763 -5.469 1.00 0.00 N ATOM 1356 CA GLY A 89 -1.622 -11.376 -4.189 1.00 0.00 C ATOM 1357 C GLY A 89 -2.392 -10.740 -3.048 1.00 0.00 C ATOM 1358 O GLY A 89 -3.033 -9.704 -3.222 1.00 0.00 O ATOM 0 H GLY A 89 -1.494 -9.848 -5.616 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.858 -12.439 -4.235 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.553 -11.295 -3.992 1.00 0.00 H new ATOM 1362 N LYS A 90 -2.331 -11.363 -1.876 1.00 0.00 N ATOM 1363 CA LYS A 90 -3.027 -10.853 -0.701 1.00 0.00 C ATOM 1364 C LYS A 90 -2.293 -9.653 -0.111 1.00 0.00 C ATOM 1365 O LYS A 90 -1.133 -9.401 -0.437 1.00 0.00 O ATOM 1366 CB LYS A 90 -3.160 -11.952 0.356 1.00 0.00 C ATOM 1367 CG LYS A 90 -3.867 -13.198 -0.148 1.00 0.00 C ATOM 1368 CD LYS A 90 -3.640 -14.381 0.778 1.00 0.00 C ATOM 1369 CE LYS A 90 -2.341 -15.103 0.454 1.00 0.00 C ATOM 1370 NZ LYS A 90 -1.910 -15.995 1.566 1.00 0.00 N ATOM 0 H LYS A 90 -1.806 -12.223 -1.715 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.022 -10.532 -1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.166 -12.226 0.710 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.705 -11.556 1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.936 -13.002 -0.233 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.507 -13.443 -1.147 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.617 -14.036 1.812 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.475 -15.077 0.692 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.469 -15.691 -0.455 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.559 -14.371 0.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.021 -16.469 1.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.763 -15.430 2.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.645 -16.710 1.742 1.00 0.00 H new ATOM 1384 N PHE A 91 -2.977 -8.915 0.758 1.00 0.00 N ATOM 1385 CA PHE A 91 -2.389 -7.742 1.393 1.00 0.00 C ATOM 1386 C PHE A 91 -1.570 -8.139 2.618 1.00 0.00 C ATOM 1387 O PHE A 91 -1.815 -9.177 3.231 1.00 0.00 O ATOM 1388 CB PHE A 91 -3.484 -6.752 1.796 1.00 0.00 C ATOM 1389 CG PHE A 91 -3.878 -5.812 0.693 1.00 0.00 C ATOM 1390 CD1 PHE A 91 -2.918 -5.078 0.014 1.00 0.00 C ATOM 1391 CD2 PHE A 91 -5.207 -5.663 0.333 1.00 0.00 C ATOM 1392 CE1 PHE A 91 -3.278 -4.212 -1.001 1.00 0.00 C ATOM 1393 CE2 PHE A 91 -5.574 -4.798 -0.681 1.00 0.00 C ATOM 1394 CZ PHE A 91 -4.607 -4.073 -1.350 1.00 0.00 C ATOM 0 H PHE A 91 -3.938 -9.109 1.038 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.724 -7.265 0.673 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.364 -7.308 2.120 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -3.140 -6.171 2.652 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -1.877 -5.184 0.281 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.966 -6.230 0.851 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.521 -3.644 -1.521 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.614 -4.689 -0.950 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.890 -3.399 -2.145 1.00 0.00 H new ATOM 1404 N SER A 92 -0.597 -7.304 2.968 1.00 0.00 N ATOM 1405 CA SER A 92 0.261 -7.569 4.117 1.00 0.00 C ATOM 1406 C SER A 92 -0.396 -7.090 5.408 1.00 0.00 C ATOM 1407 O SER A 92 -1.447 -6.451 5.383 1.00 0.00 O ATOM 1408 CB SER A 92 1.617 -6.883 3.936 1.00 0.00 C ATOM 1409 OG SER A 92 1.495 -5.475 4.050 1.00 0.00 O ATOM 0 H SER A 92 -0.383 -6.438 2.473 1.00 0.00 H new ATOM 0 HA SER A 92 0.413 -8.646 4.185 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.318 -7.252 4.685 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.030 -7.138 2.960 1.00 0.00 H new ATOM 0 HG SER A 92 2.051 -5.157 4.792 1.00 0.00 H new ATOM 1415 N GLY A 93 0.232 -7.406 6.536 1.00 0.00 N ATOM 1416 CA GLY A 93 -0.305 -7.001 7.822 1.00 0.00 C ATOM 1417 C GLY A 93 -0.848 -5.586 7.804 1.00 0.00 C ATOM 1418 O GLY A 93 -0.114 -4.634 7.537 1.00 0.00 O ATOM 0 H GLY A 93 1.103 -7.935 6.582 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.100 -7.688 8.113 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.476 -7.078 8.579 1.00 0.00 H new ATOM 1422 N LYS A 94 -2.139 -5.445 8.088 1.00 0.00 N ATOM 1423 CA LYS A 94 -2.781 -4.136 8.103 1.00 0.00 C ATOM 1424 C LYS A 94 -2.121 -3.218 9.127 1.00 0.00 C ATOM 1425 O LYS A 94 -1.876 -3.617 10.265 1.00 0.00 O ATOM 1426 CB LYS A 94 -4.272 -4.281 8.419 1.00 0.00 C ATOM 1427 CG LYS A 94 -5.140 -4.459 7.185 1.00 0.00 C ATOM 1428 CD LYS A 94 -6.612 -4.556 7.548 1.00 0.00 C ATOM 1429 CE LYS A 94 -7.177 -3.201 7.947 1.00 0.00 C ATOM 1430 NZ LYS A 94 -8.387 -3.336 8.805 1.00 0.00 N ATOM 0 H LYS A 94 -2.761 -6.222 8.311 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.666 -3.691 7.115 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.414 -5.137 9.079 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.607 -3.399 8.965 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.986 -3.620 6.507 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.836 -5.360 6.652 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.172 -4.950 6.700 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.740 -5.261 8.369 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.415 -2.632 8.480 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.429 -2.634 7.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.742 -2.391 9.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.124 -3.856 8.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.141 -3.855 9.672 1.00 0.00 H new ATOM 1444 N MET A 95 -1.836 -1.987 8.715 1.00 0.00 N ATOM 1445 CA MET A 95 -1.207 -1.012 9.597 1.00 0.00 C ATOM 1446 C MET A 95 -1.859 0.358 9.446 1.00 0.00 C ATOM 1447 O MET A 95 -2.526 0.632 8.447 1.00 0.00 O ATOM 1448 CB MET A 95 0.290 -0.914 9.299 1.00 0.00 C ATOM 1449 CG MET A 95 1.129 -0.546 10.512 1.00 0.00 C ATOM 1450 SD MET A 95 2.863 -0.273 10.101 1.00 0.00 S ATOM 1451 CE MET A 95 3.581 -1.835 10.605 1.00 0.00 C ATOM 0 H MET A 95 -2.031 -1.641 7.775 1.00 0.00 H new ATOM 0 HA MET A 95 -1.344 -1.348 10.625 1.00 0.00 H new ATOM 0 HB2 MET A 95 0.637 -1.869 8.904 1.00 0.00 H new ATOM 0 HB3 MET A 95 0.449 -0.170 8.519 1.00 0.00 H new ATOM 0 HG2 MET A 95 0.722 0.355 10.970 1.00 0.00 H new ATOM 0 HG3 MET A 95 1.056 -1.341 11.254 1.00 0.00 H new ATOM 0 HE1 MET A 95 4.654 -1.821 10.413 1.00 0.00 H new ATOM 0 HE2 MET A 95 3.405 -1.990 11.669 1.00 0.00 H new ATOM 0 HE3 MET A 95 3.122 -2.646 10.040 1.00 0.00 H new ATOM 1461 N CYS A 96 -1.662 1.215 10.442 1.00 0.00 N ATOM 1462 CA CYS A 96 -2.233 2.557 10.420 1.00 0.00 C ATOM 1463 C CYS A 96 -1.134 3.614 10.384 1.00 0.00 C ATOM 1464 O CYS A 96 -0.288 3.676 11.277 1.00 0.00 O ATOM 1465 CB CYS A 96 -3.127 2.775 11.642 1.00 0.00 C ATOM 1466 SG CYS A 96 -2.330 2.385 13.218 1.00 0.00 S ATOM 0 H CYS A 96 -1.111 1.004 11.274 1.00 0.00 H new ATOM 0 HA CYS A 96 -2.836 2.654 9.517 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -3.453 3.815 11.659 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -4.022 2.162 11.538 1.00 0.00 H new ATOM 0 HG CYS A 96 -1.090 2.775 13.185 1.00 0.00 H new ATOM 1472 N PHE A 97 -1.151 4.444 9.346 1.00 0.00 N ATOM 1473 CA PHE A 97 -0.155 5.497 9.192 1.00 0.00 C ATOM 1474 C PHE A 97 -0.818 6.870 9.139 1.00 0.00 C ATOM 1475 O PHE A 97 -1.623 7.147 8.250 1.00 0.00 O ATOM 1476 CB PHE A 97 0.670 5.267 7.924 1.00 0.00 C ATOM 1477 CG PHE A 97 1.230 3.877 7.817 1.00 0.00 C ATOM 1478 CD1 PHE A 97 2.387 3.528 8.495 1.00 0.00 C ATOM 1479 CD2 PHE A 97 0.600 2.920 7.038 1.00 0.00 C ATOM 1480 CE1 PHE A 97 2.905 2.250 8.399 1.00 0.00 C ATOM 1481 CE2 PHE A 97 1.113 1.641 6.939 1.00 0.00 C ATOM 1482 CZ PHE A 97 2.267 1.306 7.619 1.00 0.00 C ATOM 0 H PHE A 97 -1.844 4.407 8.599 1.00 0.00 H new ATOM 0 HA PHE A 97 0.506 5.466 10.058 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.046 5.467 7.053 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.491 5.984 7.899 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.890 4.263 9.106 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -0.302 3.177 6.502 1.00 0.00 H new ATOM 0 HE1 PHE A 97 3.807 1.990 8.933 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.612 0.903 6.330 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.670 0.307 7.541 1.00 0.00 H new ATOM 1492 N GLN A 98 -0.474 7.725 10.097 1.00 0.00 N ATOM 1493 CA GLN A 98 -1.037 9.068 10.160 1.00 0.00 C ATOM 1494 C GLN A 98 -0.080 10.089 9.553 1.00 0.00 C ATOM 1495 O GLN A 98 1.133 9.878 9.524 1.00 0.00 O ATOM 1496 CB GLN A 98 -1.351 9.445 11.609 1.00 0.00 C ATOM 1497 CG GLN A 98 -1.999 10.812 11.755 1.00 0.00 C ATOM 1498 CD GLN A 98 -1.981 11.317 13.185 1.00 0.00 C ATOM 1499 OE1 GLN A 98 -1.217 12.220 13.527 1.00 0.00 O ATOM 1500 NE2 GLN A 98 -2.824 10.735 14.029 1.00 0.00 N ATOM 0 H GLN A 98 0.192 7.511 10.840 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.961 9.074 9.582 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -2.012 8.691 12.037 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.428 9.426 12.189 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.480 11.526 11.115 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -3.030 10.760 11.405 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -3.440 9.990 13.703 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -2.856 11.033 15.004 1.00 0.00 H new ATOM 1509 N THR A 99 -0.632 11.196 9.069 1.00 0.00 N ATOM 1510 CA THR A 99 0.172 12.249 8.461 1.00 0.00 C ATOM 1511 C THR A 99 0.732 13.193 9.519 1.00 0.00 C ATOM 1512 O THR A 99 0.554 12.974 10.718 1.00 0.00 O ATOM 1513 CB THR A 99 -0.648 13.065 7.443 1.00 0.00 C ATOM 1514 OG1 THR A 99 -1.788 13.647 8.086 1.00 0.00 O ATOM 1515 CG2 THR A 99 -1.104 12.188 6.288 1.00 0.00 C ATOM 0 H THR A 99 -1.634 11.387 9.086 1.00 0.00 H new ATOM 0 HA THR A 99 0.996 11.759 7.943 1.00 0.00 H new ATOM 0 HB THR A 99 -0.011 13.856 7.048 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.487 13.819 7.421 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.681 12.786 5.583 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.233 11.770 5.783 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.725 11.378 6.670 1.00 0.00 H new ATOM 1523 N LEU A 100 1.409 14.243 9.069 1.00 0.00 N ATOM 1524 CA LEU A 100 1.996 15.222 9.977 1.00 0.00 C ATOM 1525 C LEU A 100 0.918 16.114 10.587 1.00 0.00 C ATOM 1526 O LEU A 100 -0.003 16.553 9.897 1.00 0.00 O ATOM 1527 CB LEU A 100 3.026 16.079 9.239 1.00 0.00 C ATOM 1528 CG LEU A 100 4.349 15.394 8.899 1.00 0.00 C ATOM 1529 CD1 LEU A 100 5.323 15.506 10.062 1.00 0.00 C ATOM 1530 CD2 LEU A 100 4.116 13.935 8.536 1.00 0.00 C ATOM 0 H LEU A 100 1.565 14.439 8.080 1.00 0.00 H new ATOM 0 HA LEU A 100 2.493 14.681 10.782 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.576 16.435 8.312 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.241 16.958 9.847 1.00 0.00 H new ATOM 0 HG LEU A 100 4.785 15.898 8.036 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.259 15.012 9.801 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.514 16.557 10.276 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.894 15.028 10.943 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.069 13.463 8.297 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.657 13.419 9.379 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.455 13.876 7.671 1.00 0.00 H new ATOM 1542 N THR A 101 1.041 16.380 11.883 1.00 0.00 N ATOM 1543 CA THR A 101 0.079 17.220 12.585 1.00 0.00 C ATOM 1544 C THR A 101 0.656 18.602 12.864 1.00 0.00 C ATOM 1545 O THR A 101 1.608 18.745 13.632 1.00 0.00 O ATOM 1546 CB THR A 101 -0.358 16.580 13.917 1.00 0.00 C ATOM 1547 OG1 THR A 101 0.725 16.610 14.853 1.00 0.00 O ATOM 1548 CG2 THR A 101 -0.813 15.144 13.705 1.00 0.00 C ATOM 0 H THR A 101 1.798 16.026 12.468 1.00 0.00 H new ATOM 0 HA THR A 101 -0.790 17.317 11.934 1.00 0.00 H new ATOM 0 HB THR A 101 -1.196 17.154 14.313 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.441 17.183 14.507 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.116 14.714 14.659 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.657 15.128 13.015 1.00 0.00 H new ATOM 0 HG23 THR A 101 0.008 14.560 13.288 1.00 0.00 H new ATOM 1556 N ASP A 102 0.075 19.619 12.236 1.00 0.00 N ATOM 1557 CA ASP A 102 0.532 20.992 12.418 1.00 0.00 C ATOM 1558 C ASP A 102 -0.218 21.666 13.563 1.00 0.00 C ATOM 1559 O ASP A 102 0.355 22.456 14.313 1.00 0.00 O ATOM 1560 CB ASP A 102 0.342 21.790 11.127 1.00 0.00 C ATOM 1561 CG ASP A 102 1.126 23.088 11.129 1.00 0.00 C ATOM 1562 OD1 ASP A 102 2.323 23.058 10.773 1.00 0.00 O ATOM 1563 OD2 ASP A 102 0.543 24.133 11.487 1.00 0.00 O ATOM 0 H ASP A 102 -0.713 19.518 11.597 1.00 0.00 H new ATOM 0 HA ASP A 102 1.593 20.967 12.667 1.00 0.00 H new ATOM 0 HB2 ASP A 102 0.654 21.182 10.278 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -0.717 22.009 10.991 1.00 0.00 H new