USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 652 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 70 ASN :FLIP amide:sc= -1.12 F(o=-3!,f=-1.1) USER MOD Set 1.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 53 HIS :FLIP no HE2:sc= 0.0845 F(o=-4.4,f=-3.5) USER MOD Set 2.2: A 54 ASN : amide:sc= -3.58 K(o=-3.5,f=-4.5!) USER MOD Set 3.1: A 8 TYR OH : rot 165:sc= 0 USER MOD Set 3.2: A 50 SER OG : rot -141:sc= 0.319 USER MOD Set 4.1: A 48 GLN : amide:sc= -2.17! C(o=-5.4!,f=-6.3!) USER MOD Set 4.2: A 49 ASN : amide:sc= -3.19! C(o=-5.4!,f=-8.2!) USER MOD Set 5.1: A 27 SER OG : rot 175:sc= -0.516 USER MOD Set 5.2: A 75 ASN : amide:sc= -5.3! C(o=-5.8!,f=-19!) USER MOD Single : A 7 SER OG : rot -29:sc= 0.352 USER MOD Single : A 13 THR OG1 : rot 48:sc= -1.92! USER MOD Single : A 14 MET CE :methyl 136:sc= -2.85 (180deg=-3.89!) USER MOD Single : A 18 GLN : amide:sc= -4.15! C(o=-4.2!,f=-6.6!) USER MOD Single : A 19 SER OG : rot -21:sc= 1.27 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -138:sc= 0.16 USER MOD Single : A 30 CYS SG : rot 69:sc= -0.191 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0692 USER MOD Single : A 35 ASN : amide:sc=-0.00179 X(o=-0.0018,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.509 USER MOD Single : A 58 ASN : amide:sc= -4.14! C(o=-4.1!,f=-7.6!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= -0.0587 (180deg=-0.137) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 100:sc= -0.0521 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 -2.773 12.128 -1.496 1.00 0.00 N ATOM 89 CA SER A 7 -4.205 12.152 -1.741 1.00 0.00 C ATOM 90 C SER A 7 -4.478 12.261 -3.243 1.00 0.00 C ATOM 91 O SER A 7 -3.548 12.387 -4.038 1.00 0.00 O ATOM 92 CB SER A 7 -4.873 13.308 -0.995 1.00 0.00 C ATOM 93 OG SER A 7 -4.061 14.479 -0.988 1.00 0.00 O ATOM 0 HA SER A 7 -4.631 11.221 -1.368 1.00 0.00 H new ATOM 0 HB2 SER A 7 -5.832 13.535 -1.461 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.081 13.005 0.031 1.00 0.00 H new ATOM 0 HG SER A 7 -3.116 14.222 -1.031 1.00 0.00 H new ATOM 99 N TYR A 8 -5.756 12.209 -3.585 1.00 0.00 N ATOM 100 CA TYR A 8 -6.163 12.301 -4.977 1.00 0.00 C ATOM 101 C TYR A 8 -6.218 13.759 -5.437 1.00 0.00 C ATOM 102 O TYR A 8 -6.176 14.038 -6.634 1.00 0.00 O ATOM 103 CB TYR A 8 -7.569 11.703 -5.047 1.00 0.00 C ATOM 104 CG TYR A 8 -7.725 10.389 -4.278 1.00 0.00 C ATOM 105 CD1 TYR A 8 -7.071 9.254 -4.712 1.00 0.00 C ATOM 106 CD2 TYR A 8 -8.520 10.339 -3.151 1.00 0.00 C ATOM 107 CE1 TYR A 8 -7.217 8.017 -3.989 1.00 0.00 C ATOM 108 CE2 TYR A 8 -8.667 9.102 -2.428 1.00 0.00 C ATOM 109 CZ TYR A 8 -8.008 8.002 -2.883 1.00 0.00 C ATOM 110 OH TYR A 8 -8.147 6.834 -2.200 1.00 0.00 O ATOM 0 H TYR A 8 -6.524 12.104 -2.922 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.454 11.777 -5.619 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.281 12.429 -4.655 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -7.829 11.534 -6.092 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.449 9.293 -5.594 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.032 11.227 -2.811 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -6.710 7.122 -4.318 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.286 9.049 -1.545 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.532 7.015 -1.317 1.00 0.00 H new ATOM 120 N ILE A 9 -6.312 14.651 -4.462 1.00 0.00 N ATOM 121 CA ILE A 9 -6.374 16.073 -4.751 1.00 0.00 C ATOM 122 C ILE A 9 -5.269 16.435 -5.745 1.00 0.00 C ATOM 123 O ILE A 9 -5.501 17.188 -6.690 1.00 0.00 O ATOM 124 CB ILE A 9 -6.327 16.886 -3.456 1.00 0.00 C ATOM 125 CG1 ILE A 9 -7.639 16.758 -2.680 1.00 0.00 C ATOM 126 CG2 ILE A 9 -5.969 18.347 -3.738 1.00 0.00 C ATOM 127 CD1 ILE A 9 -7.476 17.251 -1.241 1.00 0.00 C ATOM 0 H ILE A 9 -6.347 14.416 -3.470 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.324 16.325 -5.223 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.538 16.477 -2.825 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -8.418 17.334 -3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.964 15.717 -2.677 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.942 18.903 -2.801 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.991 18.396 -4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.718 18.784 -4.398 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.423 17.149 -0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.713 16.657 -0.737 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.175 18.299 -1.247 1.00 0.00 H new ATOM 139 N ALA A 10 -4.090 15.883 -5.498 1.00 0.00 N ATOM 140 CA ALA A 10 -2.948 16.139 -6.359 1.00 0.00 C ATOM 141 C ALA A 10 -3.223 15.559 -7.748 1.00 0.00 C ATOM 142 O ALA A 10 -3.091 16.256 -8.753 1.00 0.00 O ATOM 143 CB ALA A 10 -1.686 15.553 -5.722 1.00 0.00 C ATOM 0 H ALA A 10 -3.901 15.259 -4.713 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.787 17.211 -6.474 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.829 15.745 -6.368 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.519 16.018 -4.750 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.809 14.478 -5.593 1.00 0.00 H new ATOM 149 N LEU A 11 -3.600 14.289 -7.760 1.00 0.00 N ATOM 150 CA LEU A 11 -3.894 13.607 -9.009 1.00 0.00 C ATOM 151 C LEU A 11 -4.941 14.407 -9.787 1.00 0.00 C ATOM 152 O LEU A 11 -4.873 14.498 -11.012 1.00 0.00 O ATOM 153 CB LEU A 11 -4.301 12.156 -8.745 1.00 0.00 C ATOM 154 CG LEU A 11 -3.326 11.329 -7.904 1.00 0.00 C ATOM 155 CD1 LEU A 11 -3.930 9.970 -7.544 1.00 0.00 C ATOM 156 CD2 LEU A 11 -1.976 11.187 -8.610 1.00 0.00 C ATOM 0 H LEU A 11 -3.709 13.714 -6.924 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.002 13.555 -9.633 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.270 12.156 -8.246 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.436 11.657 -9.705 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.146 11.860 -6.969 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.217 9.402 -6.946 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.846 10.119 -6.972 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.158 9.420 -8.457 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.302 10.595 -7.991 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.118 10.690 -9.570 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.545 12.175 -8.773 1.00 0.00 H new ATOM 168 N ILE A 12 -5.884 14.966 -9.044 1.00 0.00 N ATOM 169 CA ILE A 12 -6.944 15.756 -9.649 1.00 0.00 C ATOM 170 C ILE A 12 -6.352 17.050 -10.212 1.00 0.00 C ATOM 171 O ILE A 12 -6.423 17.298 -11.414 1.00 0.00 O ATOM 172 CB ILE A 12 -8.080 15.982 -8.650 1.00 0.00 C ATOM 173 CG1 ILE A 12 -9.045 14.795 -8.639 1.00 0.00 C ATOM 174 CG2 ILE A 12 -8.800 17.303 -8.929 1.00 0.00 C ATOM 175 CD1 ILE A 12 -8.633 13.764 -7.586 1.00 0.00 C ATOM 0 H ILE A 12 -5.937 14.888 -8.028 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.390 15.219 -10.486 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.648 16.055 -7.652 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.056 15.146 -8.434 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.063 14.327 -9.623 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.603 17.440 -8.205 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.092 18.128 -8.846 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.218 17.284 -9.935 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.335 12.930 -7.599 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.631 13.398 -7.808 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.639 14.229 -6.600 1.00 0.00 H new ATOM 187 N THR A 13 -5.781 17.841 -9.315 1.00 0.00 N ATOM 188 CA THR A 13 -5.178 19.103 -9.706 1.00 0.00 C ATOM 189 C THR A 13 -4.396 18.938 -11.011 1.00 0.00 C ATOM 190 O THR A 13 -4.336 19.860 -11.824 1.00 0.00 O ATOM 191 CB THR A 13 -4.318 19.598 -8.541 1.00 0.00 C ATOM 192 OG1 THR A 13 -3.750 18.408 -7.999 1.00 0.00 O ATOM 193 CG2 THR A 13 -5.157 20.166 -7.395 1.00 0.00 C ATOM 0 H THR A 13 -5.724 17.632 -8.318 1.00 0.00 H new ATOM 0 HA THR A 13 -5.938 19.857 -9.911 1.00 0.00 H new ATOM 0 HB THR A 13 -3.627 20.362 -8.898 1.00 0.00 H new ATOM 0 HG1 THR A 13 -3.385 17.860 -8.725 1.00 0.00 H new ATOM 0 HG21 THR A 13 -4.499 20.503 -6.594 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.747 21.008 -7.758 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.824 19.393 -7.015 1.00 0.00 H new ATOM 201 N MET A 14 -3.816 17.758 -11.171 1.00 0.00 N ATOM 202 CA MET A 14 -3.041 17.460 -12.363 1.00 0.00 C ATOM 203 C MET A 14 -3.954 17.093 -13.534 1.00 0.00 C ATOM 204 O MET A 14 -3.713 17.506 -14.668 1.00 0.00 O ATOM 205 CB MET A 14 -2.087 16.299 -12.076 1.00 0.00 C ATOM 206 CG MET A 14 -1.293 15.919 -13.327 1.00 0.00 C ATOM 207 SD MET A 14 0.034 14.807 -12.893 1.00 0.00 S ATOM 208 CE MET A 14 -0.621 13.276 -13.535 1.00 0.00 C ATOM 0 H MET A 14 -3.867 16.996 -10.494 1.00 0.00 H new ATOM 0 HA MET A 14 -2.473 18.350 -12.635 1.00 0.00 H new ATOM 0 HB2 MET A 14 -1.401 16.577 -11.276 1.00 0.00 H new ATOM 0 HB3 MET A 14 -2.654 15.437 -11.725 1.00 0.00 H new ATOM 0 HG2 MET A 14 -1.951 15.446 -14.056 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.888 16.815 -13.797 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.165 12.738 -14.064 1.00 0.00 H new ATOM 0 HE2 MET A 14 -0.989 12.664 -12.712 1.00 0.00 H new ATOM 0 HE3 MET A 14 -1.440 13.490 -14.222 1.00 0.00 H new ATOM 218 N ALA A 15 -4.984 16.321 -13.220 1.00 0.00 N ATOM 219 CA ALA A 15 -5.935 15.893 -14.232 1.00 0.00 C ATOM 220 C ALA A 15 -6.584 17.124 -14.869 1.00 0.00 C ATOM 221 O ALA A 15 -7.021 17.076 -16.017 1.00 0.00 O ATOM 222 CB ALA A 15 -6.963 14.952 -13.602 1.00 0.00 C ATOM 0 H ALA A 15 -5.181 15.981 -12.279 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.430 15.340 -15.024 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.676 14.631 -14.361 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.454 14.080 -13.191 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.492 15.473 -12.804 1.00 0.00 H new ATOM 228 N ILE A 16 -6.626 18.198 -14.094 1.00 0.00 N ATOM 229 CA ILE A 16 -7.214 19.439 -14.568 1.00 0.00 C ATOM 230 C ILE A 16 -6.170 20.221 -15.368 1.00 0.00 C ATOM 231 O ILE A 16 -6.397 20.558 -16.528 1.00 0.00 O ATOM 232 CB ILE A 16 -7.812 20.228 -13.401 1.00 0.00 C ATOM 233 CG1 ILE A 16 -8.817 19.377 -12.621 1.00 0.00 C ATOM 234 CG2 ILE A 16 -8.428 21.542 -13.886 1.00 0.00 C ATOM 235 CD1 ILE A 16 -10.050 19.067 -13.472 1.00 0.00 C ATOM 0 H ILE A 16 -6.263 18.234 -13.142 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.045 19.233 -15.243 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.006 20.485 -12.714 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.344 18.446 -12.307 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.119 19.903 -11.715 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.846 22.083 -13.037 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.659 22.151 -14.361 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.219 21.329 -14.605 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.748 18.461 -12.894 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.534 19.999 -13.764 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -9.748 18.520 -14.365 1.00 0.00 H new ATOM 247 N LEU A 17 -5.048 20.486 -14.715 1.00 0.00 N ATOM 248 CA LEU A 17 -3.968 21.222 -15.351 1.00 0.00 C ATOM 249 C LEU A 17 -3.576 20.519 -16.652 1.00 0.00 C ATOM 250 O LEU A 17 -3.406 21.167 -17.684 1.00 0.00 O ATOM 251 CB LEU A 17 -2.802 21.410 -14.378 1.00 0.00 C ATOM 252 CG LEU A 17 -2.873 22.644 -13.477 1.00 0.00 C ATOM 253 CD1 LEU A 17 -3.344 22.269 -12.070 1.00 0.00 C ATOM 254 CD2 LEU A 17 -1.534 23.384 -13.455 1.00 0.00 C ATOM 0 H LEU A 17 -4.863 20.204 -13.752 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.296 22.227 -15.617 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.737 20.525 -13.745 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.878 21.458 -14.954 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.613 23.329 -13.892 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.386 23.164 -11.450 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.336 21.820 -12.126 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.647 21.556 -11.631 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.611 24.257 -12.807 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.757 22.719 -13.077 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.278 23.703 -14.465 1.00 0.00 H new ATOM 266 N GLN A 18 -3.444 19.204 -16.561 1.00 0.00 N ATOM 267 CA GLN A 18 -3.075 18.407 -17.719 1.00 0.00 C ATOM 268 C GLN A 18 -3.928 18.800 -18.927 1.00 0.00 C ATOM 269 O GLN A 18 -3.424 18.881 -20.046 1.00 0.00 O ATOM 270 CB GLN A 18 -3.203 16.913 -17.419 1.00 0.00 C ATOM 271 CG GLN A 18 -4.665 16.465 -17.479 1.00 0.00 C ATOM 272 CD GLN A 18 -5.072 16.112 -18.911 1.00 0.00 C ATOM 273 OE1 GLN A 18 -4.406 16.453 -19.875 1.00 0.00 O ATOM 274 NE2 GLN A 18 -6.200 15.413 -18.997 1.00 0.00 N ATOM 0 H GLN A 18 -3.586 18.670 -15.703 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.030 18.608 -17.956 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.614 16.342 -18.137 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.794 16.700 -16.431 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.811 15.600 -16.832 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -5.308 17.259 -17.100 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.709 15.160 -18.150 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.556 15.130 -19.910 1.00 0.00 H new ATOM 283 N SER A 19 -5.204 19.033 -18.659 1.00 0.00 N ATOM 284 CA SER A 19 -6.132 19.414 -19.711 1.00 0.00 C ATOM 285 C SER A 19 -5.791 20.814 -20.226 1.00 0.00 C ATOM 286 O SER A 19 -6.008 21.805 -19.532 1.00 0.00 O ATOM 287 CB SER A 19 -7.578 19.370 -19.212 1.00 0.00 C ATOM 288 OG SER A 19 -7.900 20.502 -18.409 1.00 0.00 O ATOM 0 H SER A 19 -5.618 18.965 -17.729 1.00 0.00 H new ATOM 0 HA SER A 19 -6.036 18.699 -20.528 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.255 19.326 -20.065 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.735 18.459 -18.634 1.00 0.00 H new ATOM 0 HG SER A 19 -7.075 20.902 -18.062 1.00 0.00 H new ATOM 294 N PRO A 20 -5.248 20.851 -21.473 1.00 0.00 N ATOM 295 CA PRO A 20 -4.875 22.112 -22.090 1.00 0.00 C ATOM 296 C PRO A 20 -6.112 22.876 -22.568 1.00 0.00 C ATOM 297 O PRO A 20 -6.003 24.002 -23.049 1.00 0.00 O ATOM 298 CB PRO A 20 -3.936 21.733 -23.224 1.00 0.00 C ATOM 299 CG PRO A 20 -4.183 20.258 -23.493 1.00 0.00 C ATOM 300 CD PRO A 20 -4.977 19.697 -22.325 1.00 0.00 C ATOM 0 HA PRO A 20 -4.383 22.791 -21.394 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.136 22.331 -24.113 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.897 21.911 -22.947 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -4.732 20.127 -24.426 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.238 19.726 -23.602 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -5.901 19.229 -22.663 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.410 18.935 -21.791 1.00 0.00 H new ATOM 308 N GLN A 21 -7.260 22.231 -22.419 1.00 0.00 N ATOM 309 CA GLN A 21 -8.516 22.836 -22.829 1.00 0.00 C ATOM 310 C GLN A 21 -9.450 22.986 -21.627 1.00 0.00 C ATOM 311 O GLN A 21 -10.668 22.873 -21.765 1.00 0.00 O ATOM 312 CB GLN A 21 -9.180 22.020 -23.941 1.00 0.00 C ATOM 313 CG GLN A 21 -10.273 22.831 -24.639 1.00 0.00 C ATOM 314 CD GLN A 21 -9.945 23.032 -26.120 1.00 0.00 C ATOM 315 OE1 GLN A 21 -9.363 24.025 -26.524 1.00 0.00 O ATOM 316 NE2 GLN A 21 -10.350 22.037 -26.903 1.00 0.00 N ATOM 0 H GLN A 21 -7.347 21.296 -22.020 1.00 0.00 H new ATOM 0 HA GLN A 21 -8.306 23.829 -23.227 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -8.429 21.713 -24.669 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -9.609 21.110 -23.522 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.230 22.318 -24.541 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.379 23.800 -24.152 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.832 21.234 -26.499 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.179 22.076 -27.908 1.00 0.00 H new ATOM 325 N LYS A 22 -8.845 23.239 -20.476 1.00 0.00 N ATOM 326 CA LYS A 22 -9.608 23.406 -19.251 1.00 0.00 C ATOM 327 C LYS A 22 -10.887 22.570 -19.333 1.00 0.00 C ATOM 328 O LYS A 22 -11.989 23.115 -19.345 1.00 0.00 O ATOM 329 CB LYS A 22 -9.860 24.890 -18.975 1.00 0.00 C ATOM 330 CG LYS A 22 -10.941 25.073 -17.907 1.00 0.00 C ATOM 331 CD LYS A 22 -12.135 25.852 -18.463 1.00 0.00 C ATOM 332 CE LYS A 22 -11.756 27.307 -18.746 1.00 0.00 C ATOM 333 NZ LYS A 22 -12.411 27.781 -19.986 1.00 0.00 N ATOM 0 H LYS A 22 -7.835 23.332 -20.366 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.041 23.038 -18.396 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.935 25.365 -18.647 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.165 25.388 -19.895 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.273 24.098 -17.550 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.524 25.602 -17.050 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.487 25.379 -19.380 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.959 25.819 -17.750 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.053 27.936 -17.907 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.674 27.395 -18.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.143 28.770 -20.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.107 27.191 -20.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.444 27.715 -19.880 1.00 0.00 H new ATOM 347 N LYS A 23 -10.696 21.260 -19.386 1.00 0.00 N ATOM 348 CA LYS A 23 -11.821 20.343 -19.466 1.00 0.00 C ATOM 349 C LYS A 23 -11.307 18.904 -19.379 1.00 0.00 C ATOM 350 O LYS A 23 -10.254 18.583 -19.927 1.00 0.00 O ATOM 351 CB LYS A 23 -12.653 20.624 -20.719 1.00 0.00 C ATOM 352 CG LYS A 23 -13.748 19.570 -20.898 1.00 0.00 C ATOM 353 CD LYS A 23 -14.155 19.447 -22.368 1.00 0.00 C ATOM 354 CE LYS A 23 -15.455 20.205 -22.642 1.00 0.00 C ATOM 355 NZ LYS A 23 -16.001 19.835 -23.967 1.00 0.00 N ATOM 0 H LYS A 23 -9.780 20.812 -19.375 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.496 20.493 -18.623 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.104 21.614 -20.646 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.005 20.633 -21.596 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.393 18.606 -20.533 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.617 19.838 -20.297 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.361 19.839 -23.003 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.281 18.396 -22.627 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.185 19.979 -21.865 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.272 21.279 -22.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.883 20.358 -24.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.309 20.073 -24.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.195 18.813 -23.990 1.00 0.00 H new ATOM 369 N LEU A 24 -12.075 18.076 -18.687 1.00 0.00 N ATOM 370 CA LEU A 24 -11.711 16.680 -18.521 1.00 0.00 C ATOM 371 C LEU A 24 -12.964 15.866 -18.190 1.00 0.00 C ATOM 372 O LEU A 24 -14.011 16.432 -17.878 1.00 0.00 O ATOM 373 CB LEU A 24 -10.594 16.536 -17.485 1.00 0.00 C ATOM 374 CG LEU A 24 -11.027 16.599 -16.019 1.00 0.00 C ATOM 375 CD1 LEU A 24 -9.853 16.289 -15.088 1.00 0.00 C ATOM 376 CD2 LEU A 24 -11.675 17.946 -15.696 1.00 0.00 C ATOM 0 H LEU A 24 -12.948 18.346 -18.235 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.306 16.280 -19.450 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.090 15.585 -17.654 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.859 17.322 -17.660 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.782 15.831 -15.852 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.187 16.340 -14.052 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.476 15.288 -15.299 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.058 17.017 -15.250 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.973 17.964 -14.648 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.961 18.748 -15.884 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.553 18.088 -16.326 1.00 0.00 H new ATOM 388 N THR A 25 -12.816 14.552 -18.269 1.00 0.00 N ATOM 389 CA THR A 25 -13.923 13.655 -17.982 1.00 0.00 C ATOM 390 C THR A 25 -13.554 12.700 -16.846 1.00 0.00 C ATOM 391 O THR A 25 -12.411 12.253 -16.751 1.00 0.00 O ATOM 392 CB THR A 25 -14.300 12.939 -19.280 1.00 0.00 C ATOM 393 OG1 THR A 25 -14.978 13.934 -20.042 1.00 0.00 O ATOM 394 CG2 THR A 25 -15.354 11.852 -19.064 1.00 0.00 C ATOM 0 H THR A 25 -11.946 14.086 -18.528 1.00 0.00 H new ATOM 0 HA THR A 25 -14.797 14.204 -17.632 1.00 0.00 H new ATOM 0 HB THR A 25 -13.408 12.496 -19.722 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.763 13.537 -20.474 1.00 0.00 H new ATOM 0 HG21 THR A 25 -15.586 11.375 -20.017 1.00 0.00 H new ATOM 0 HG22 THR A 25 -14.970 11.106 -18.369 1.00 0.00 H new ATOM 0 HG23 THR A 25 -16.259 12.299 -18.653 1.00 0.00 H new ATOM 402 N LEU A 26 -14.542 12.413 -16.012 1.00 0.00 N ATOM 403 CA LEU A 26 -14.336 11.519 -14.885 1.00 0.00 C ATOM 404 C LEU A 26 -13.873 10.155 -15.401 1.00 0.00 C ATOM 405 O LEU A 26 -12.817 9.663 -15.005 1.00 0.00 O ATOM 406 CB LEU A 26 -15.593 11.452 -14.016 1.00 0.00 C ATOM 407 CG LEU A 26 -15.511 10.548 -12.785 1.00 0.00 C ATOM 408 CD1 LEU A 26 -15.733 9.083 -13.164 1.00 0.00 C ATOM 409 CD2 LEU A 26 -14.189 10.754 -12.042 1.00 0.00 C ATOM 0 H LEU A 26 -15.489 12.784 -16.094 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.548 11.901 -14.236 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -15.836 12.462 -13.685 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -16.422 11.112 -14.637 1.00 0.00 H new ATOM 0 HG LEU A 26 -16.313 10.828 -12.101 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -15.669 8.462 -12.270 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -16.719 8.969 -13.615 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -14.969 8.772 -13.877 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -14.155 10.100 -11.171 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -13.358 10.517 -12.706 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -14.111 11.792 -11.719 1.00 0.00 H new ATOM 421 N SER A 27 -14.685 9.582 -16.278 1.00 0.00 N ATOM 422 CA SER A 27 -14.371 8.285 -16.852 1.00 0.00 C ATOM 423 C SER A 27 -12.920 8.263 -17.336 1.00 0.00 C ATOM 424 O SER A 27 -12.138 7.407 -16.926 1.00 0.00 O ATOM 425 CB SER A 27 -15.320 7.949 -18.004 1.00 0.00 C ATOM 426 OG SER A 27 -15.181 8.858 -19.093 1.00 0.00 O ATOM 0 H SER A 27 -15.560 9.993 -16.605 1.00 0.00 H new ATOM 0 HA SER A 27 -14.500 7.529 -16.078 1.00 0.00 H new ATOM 0 HB2 SER A 27 -15.124 6.935 -18.351 1.00 0.00 H new ATOM 0 HB3 SER A 27 -16.349 7.969 -17.644 1.00 0.00 H new ATOM 0 HG SER A 27 -15.750 8.567 -19.836 1.00 0.00 H new ATOM 432 N GLY A 28 -12.604 9.217 -18.200 1.00 0.00 N ATOM 433 CA GLY A 28 -11.260 9.318 -18.744 1.00 0.00 C ATOM 434 C GLY A 28 -10.229 9.501 -17.628 1.00 0.00 C ATOM 435 O GLY A 28 -9.111 8.999 -17.723 1.00 0.00 O ATOM 0 H GLY A 28 -13.255 9.926 -18.537 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.027 8.420 -19.316 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.206 10.159 -19.435 1.00 0.00 H new ATOM 439 N ILE A 29 -10.643 10.223 -16.597 1.00 0.00 N ATOM 440 CA ILE A 29 -9.770 10.479 -15.464 1.00 0.00 C ATOM 441 C ILE A 29 -9.436 9.155 -14.773 1.00 0.00 C ATOM 442 O ILE A 29 -8.267 8.834 -14.571 1.00 0.00 O ATOM 443 CB ILE A 29 -10.393 11.519 -14.531 1.00 0.00 C ATOM 444 CG1 ILE A 29 -9.845 12.917 -14.826 1.00 0.00 C ATOM 445 CG2 ILE A 29 -10.202 11.126 -13.065 1.00 0.00 C ATOM 446 CD1 ILE A 29 -9.872 13.212 -16.327 1.00 0.00 C ATOM 0 H ILE A 29 -11.571 10.639 -16.523 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.827 10.911 -15.800 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.466 11.547 -14.719 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.436 13.663 -14.295 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.823 12.997 -14.455 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.654 11.882 -12.424 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.678 10.163 -12.881 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.137 11.052 -12.844 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.477 14.212 -16.508 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.260 12.479 -16.853 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.898 13.156 -16.690 1.00 0.00 H new ATOM 458 N CYS A 30 -10.486 8.423 -14.430 1.00 0.00 N ATOM 459 CA CYS A 30 -10.319 7.141 -13.766 1.00 0.00 C ATOM 460 C CYS A 30 -9.286 6.326 -14.547 1.00 0.00 C ATOM 461 O CYS A 30 -8.416 5.690 -13.954 1.00 0.00 O ATOM 462 CB CYS A 30 -11.649 6.396 -13.632 1.00 0.00 C ATOM 463 SG CYS A 30 -11.359 4.708 -12.988 1.00 0.00 S ATOM 0 H CYS A 30 -11.455 8.693 -14.599 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.962 7.300 -12.749 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.314 6.940 -12.962 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -12.145 6.344 -14.601 1.00 0.00 H new ATOM 0 HG CYS A 30 -10.961 4.777 -11.752 1.00 0.00 H new ATOM 469 N GLU A 31 -9.415 6.373 -15.865 1.00 0.00 N ATOM 470 CA GLU A 31 -8.503 5.647 -16.732 1.00 0.00 C ATOM 471 C GLU A 31 -7.095 6.238 -16.635 1.00 0.00 C ATOM 472 O GLU A 31 -6.107 5.508 -16.691 1.00 0.00 O ATOM 473 CB GLU A 31 -9.002 5.652 -18.179 1.00 0.00 C ATOM 474 CG GLU A 31 -8.116 4.777 -19.067 1.00 0.00 C ATOM 475 CD GLU A 31 -8.950 3.739 -19.821 1.00 0.00 C ATOM 476 OE1 GLU A 31 -9.537 4.125 -20.855 1.00 0.00 O ATOM 477 OE2 GLU A 31 -8.982 2.583 -19.346 1.00 0.00 O ATOM 0 H GLU A 31 -10.137 6.903 -16.353 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.464 4.610 -16.399 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.029 5.290 -18.214 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.011 6.673 -18.561 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.578 5.403 -19.779 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.367 4.273 -18.456 1.00 0.00 H new ATOM 484 N PHE A 32 -7.049 7.554 -16.492 1.00 0.00 N ATOM 485 CA PHE A 32 -5.778 8.251 -16.387 1.00 0.00 C ATOM 486 C PHE A 32 -5.130 8.006 -15.023 1.00 0.00 C ATOM 487 O PHE A 32 -3.917 8.147 -14.874 1.00 0.00 O ATOM 488 CB PHE A 32 -6.074 9.745 -16.537 1.00 0.00 C ATOM 489 CG PHE A 32 -5.255 10.638 -15.602 1.00 0.00 C ATOM 490 CD1 PHE A 32 -3.903 10.704 -15.737 1.00 0.00 C ATOM 491 CD2 PHE A 32 -5.879 11.366 -14.638 1.00 0.00 C ATOM 492 CE1 PHE A 32 -3.144 11.533 -14.870 1.00 0.00 C ATOM 493 CE2 PHE A 32 -5.119 12.195 -13.771 1.00 0.00 C ATOM 494 CZ PHE A 32 -3.768 12.261 -13.905 1.00 0.00 C ATOM 0 H PHE A 32 -7.871 8.156 -16.446 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.092 7.893 -17.155 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.881 10.042 -17.568 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.134 9.916 -16.350 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.408 10.126 -16.503 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.952 11.314 -14.532 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.071 11.586 -14.977 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -5.615 12.773 -13.005 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.190 12.891 -13.245 1.00 0.00 H new ATOM 504 N ILE A 33 -5.967 7.644 -14.062 1.00 0.00 N ATOM 505 CA ILE A 33 -5.491 7.378 -12.715 1.00 0.00 C ATOM 506 C ILE A 33 -4.901 5.967 -12.657 1.00 0.00 C ATOM 507 O ILE A 33 -3.844 5.757 -12.063 1.00 0.00 O ATOM 508 CB ILE A 33 -6.604 7.621 -11.695 1.00 0.00 C ATOM 509 CG1 ILE A 33 -7.064 9.081 -11.722 1.00 0.00 C ATOM 510 CG2 ILE A 33 -6.171 7.182 -10.295 1.00 0.00 C ATOM 511 CD1 ILE A 33 -5.948 10.015 -11.250 1.00 0.00 C ATOM 0 H ILE A 33 -6.972 7.529 -14.189 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.692 8.070 -12.450 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.461 7.008 -11.973 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.367 9.352 -12.733 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.939 9.202 -11.084 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.981 7.366 -9.589 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.933 6.118 -10.305 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.290 7.748 -9.992 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.300 11.046 -11.279 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.664 9.757 -10.230 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.083 9.909 -11.905 1.00 0.00 H new ATOM 523 N SER A 34 -5.609 5.038 -13.281 1.00 0.00 N ATOM 524 CA SER A 34 -5.168 3.654 -13.308 1.00 0.00 C ATOM 525 C SER A 34 -3.914 3.520 -14.174 1.00 0.00 C ATOM 526 O SER A 34 -2.876 3.058 -13.703 1.00 0.00 O ATOM 527 CB SER A 34 -6.274 2.734 -13.829 1.00 0.00 C ATOM 528 OG SER A 34 -6.771 3.160 -15.095 1.00 0.00 O ATOM 0 H SER A 34 -6.485 5.216 -13.772 1.00 0.00 H new ATOM 0 HA SER A 34 -4.931 3.351 -12.288 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.890 1.717 -13.914 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.092 2.707 -13.109 1.00 0.00 H new ATOM 0 HG SER A 34 -7.474 2.546 -15.394 1.00 0.00 H new ATOM 534 N ASN A 35 -4.051 3.933 -15.425 1.00 0.00 N ATOM 535 CA ASN A 35 -2.942 3.865 -16.362 1.00 0.00 C ATOM 536 C ASN A 35 -1.697 4.476 -15.716 1.00 0.00 C ATOM 537 O ASN A 35 -0.615 3.895 -15.774 1.00 0.00 O ATOM 538 CB ASN A 35 -3.249 4.653 -17.637 1.00 0.00 C ATOM 539 CG ASN A 35 -2.640 3.971 -18.863 1.00 0.00 C ATOM 540 OD1 ASN A 35 -1.438 3.965 -19.070 1.00 0.00 O ATOM 541 ND2 ASN A 35 -3.535 3.398 -19.663 1.00 0.00 N ATOM 0 H ASN A 35 -4.913 4.316 -15.812 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.779 2.818 -16.616 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.328 4.741 -17.764 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.855 5.665 -17.547 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.229 2.917 -20.509 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.527 3.440 -19.431 1.00 0.00 H new ATOM 548 N ARG A 36 -1.892 5.640 -15.115 1.00 0.00 N ATOM 549 CA ARG A 36 -0.799 6.336 -14.459 1.00 0.00 C ATOM 550 C ARG A 36 -0.277 5.513 -13.279 1.00 0.00 C ATOM 551 O ARG A 36 0.916 5.224 -13.199 1.00 0.00 O ATOM 552 CB ARG A 36 -1.244 7.711 -13.955 1.00 0.00 C ATOM 553 CG ARG A 36 -1.251 8.735 -15.091 1.00 0.00 C ATOM 554 CD ARG A 36 0.174 9.109 -15.502 1.00 0.00 C ATOM 555 NE ARG A 36 0.768 10.019 -14.498 1.00 0.00 N ATOM 556 CZ ARG A 36 1.815 10.821 -14.737 1.00 0.00 C ATOM 557 NH1 ARG A 36 2.389 10.831 -15.947 1.00 0.00 N ATOM 558 NH2 ARG A 36 2.287 11.614 -13.765 1.00 0.00 N ATOM 0 H ARG A 36 -2.791 6.119 -15.069 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.004 6.470 -15.193 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.241 7.638 -13.520 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.575 8.046 -13.163 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.785 8.328 -15.949 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.789 9.629 -14.776 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.783 8.209 -15.595 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.165 9.590 -16.480 1.00 0.00 H new ATOM 0 HE ARG A 36 0.355 10.037 -13.566 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.029 10.228 -16.687 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.186 11.441 -16.128 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.849 11.607 -12.844 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.084 12.224 -13.947 1.00 0.00 H new ATOM 572 N PHE A 37 -1.196 5.157 -12.394 1.00 0.00 N ATOM 573 CA PHE A 37 -0.844 4.373 -11.223 1.00 0.00 C ATOM 574 C PHE A 37 -1.564 3.023 -11.231 1.00 0.00 C ATOM 575 O PHE A 37 -2.793 2.970 -11.230 1.00 0.00 O ATOM 576 CB PHE A 37 -1.295 5.171 -9.998 1.00 0.00 C ATOM 577 CG PHE A 37 -0.788 6.614 -9.974 1.00 0.00 C ATOM 578 CD1 PHE A 37 -1.452 7.579 -10.665 1.00 0.00 C ATOM 579 CD2 PHE A 37 0.326 6.932 -9.262 1.00 0.00 C ATOM 580 CE1 PHE A 37 -0.982 8.919 -10.643 1.00 0.00 C ATOM 581 CE2 PHE A 37 0.797 8.271 -9.240 1.00 0.00 C ATOM 582 CZ PHE A 37 0.133 9.237 -9.931 1.00 0.00 C ATOM 0 H PHE A 37 -2.185 5.397 -12.465 1.00 0.00 H new ATOM 0 HA PHE A 37 0.229 4.182 -11.212 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.384 5.179 -9.963 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.951 4.661 -9.098 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.337 7.326 -11.230 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.853 6.165 -8.713 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.510 9.685 -11.191 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.682 8.523 -8.675 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.491 10.256 -9.914 1.00 0.00 H new ATOM 592 N PRO A 38 -0.746 1.936 -11.239 1.00 0.00 N ATOM 593 CA PRO A 38 -1.292 0.589 -11.247 1.00 0.00 C ATOM 594 C PRO A 38 -1.839 0.211 -9.869 1.00 0.00 C ATOM 595 O PRO A 38 -2.919 -0.368 -9.763 1.00 0.00 O ATOM 596 CB PRO A 38 -0.142 -0.299 -11.694 1.00 0.00 C ATOM 597 CG PRO A 38 1.123 0.514 -11.472 1.00 0.00 C ATOM 598 CD PRO A 38 0.714 1.960 -11.241 1.00 0.00 C ATOM 0 HA PRO A 38 -2.143 0.484 -11.920 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.117 -1.225 -11.119 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.248 -0.578 -12.742 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.676 0.132 -10.614 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.783 0.437 -12.336 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.105 2.336 -10.296 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.098 2.611 -12.026 1.00 0.00 H new ATOM 606 N TYR A 39 -1.067 0.553 -8.847 1.00 0.00 N ATOM 607 CA TYR A 39 -1.461 0.256 -7.480 1.00 0.00 C ATOM 608 C TYR A 39 -2.852 0.817 -7.176 1.00 0.00 C ATOM 609 O TYR A 39 -3.646 0.177 -6.489 1.00 0.00 O ATOM 610 CB TYR A 39 -0.436 0.956 -6.585 1.00 0.00 C ATOM 611 CG TYR A 39 0.938 0.282 -6.569 1.00 0.00 C ATOM 612 CD1 TYR A 39 1.037 -1.080 -6.374 1.00 0.00 C ATOM 613 CD2 TYR A 39 2.079 1.038 -6.750 1.00 0.00 C ATOM 614 CE1 TYR A 39 2.330 -1.714 -6.359 1.00 0.00 C ATOM 615 CE2 TYR A 39 3.372 0.404 -6.735 1.00 0.00 C ATOM 616 CZ TYR A 39 3.434 -0.940 -6.540 1.00 0.00 C ATOM 617 OH TYR A 39 4.655 -1.539 -6.526 1.00 0.00 O ATOM 0 H TYR A 39 -0.171 1.033 -8.938 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.495 -0.821 -7.315 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.320 1.987 -6.920 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.823 0.993 -5.567 1.00 0.00 H new ATOM 0 HD1 TYR A 39 0.144 -1.671 -6.232 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.002 2.104 -6.903 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.421 -2.779 -6.208 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.272 0.983 -6.876 1.00 0.00 H new ATOM 0 HH TYR A 39 5.352 -0.865 -6.669 1.00 0.00 H new ATOM 627 N TYR A 40 -3.104 2.006 -7.704 1.00 0.00 N ATOM 628 CA TYR A 40 -4.385 2.660 -7.497 1.00 0.00 C ATOM 629 C TYR A 40 -5.517 1.866 -8.152 1.00 0.00 C ATOM 630 O TYR A 40 -6.621 1.792 -7.614 1.00 0.00 O ATOM 631 CB TYR A 40 -4.276 4.026 -8.177 1.00 0.00 C ATOM 632 CG TYR A 40 -3.407 5.031 -7.418 1.00 0.00 C ATOM 633 CD1 TYR A 40 -2.930 4.720 -6.162 1.00 0.00 C ATOM 634 CD2 TYR A 40 -3.102 6.249 -7.991 1.00 0.00 C ATOM 635 CE1 TYR A 40 -2.112 5.666 -5.447 1.00 0.00 C ATOM 636 CE2 TYR A 40 -2.284 7.195 -7.276 1.00 0.00 C ATOM 637 CZ TYR A 40 -1.830 6.857 -6.040 1.00 0.00 C ATOM 638 OH TYR A 40 -1.058 7.751 -5.365 1.00 0.00 O ATOM 0 H TYR A 40 -2.443 2.533 -8.275 1.00 0.00 H new ATOM 0 HA TYR A 40 -4.608 2.740 -6.433 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.867 3.890 -9.178 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -5.276 4.443 -8.295 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.170 3.767 -5.714 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.476 6.493 -8.974 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.732 5.435 -4.463 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.037 8.152 -7.712 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.938 8.557 -5.910 1.00 0.00 H new ATOM 648 N ARG A 41 -5.205 1.293 -9.305 1.00 0.00 N ATOM 649 CA ARG A 41 -6.182 0.508 -10.040 1.00 0.00 C ATOM 650 C ARG A 41 -6.294 -0.896 -9.441 1.00 0.00 C ATOM 651 O ARG A 41 -7.305 -1.572 -9.620 1.00 0.00 O ATOM 652 CB ARG A 41 -5.801 0.396 -11.517 1.00 0.00 C ATOM 653 CG ARG A 41 -6.914 -0.279 -12.321 1.00 0.00 C ATOM 654 CD ARG A 41 -6.348 -0.994 -13.549 1.00 0.00 C ATOM 655 NE ARG A 41 -7.219 -0.755 -14.721 1.00 0.00 N ATOM 656 CZ ARG A 41 -7.203 -1.502 -15.834 1.00 0.00 C ATOM 657 NH1 ARG A 41 -6.361 -2.539 -15.933 1.00 0.00 N ATOM 658 NH2 ARG A 41 -8.030 -1.211 -16.848 1.00 0.00 N ATOM 0 H ARG A 41 -4.289 1.357 -9.749 1.00 0.00 H new ATOM 0 HA ARG A 41 -7.142 1.018 -9.963 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.606 1.389 -11.922 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.878 -0.176 -11.616 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.440 -0.995 -11.690 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.644 0.467 -12.635 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.340 -0.635 -13.756 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.272 -2.064 -13.354 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.872 0.027 -14.679 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.732 -2.760 -15.161 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.349 -3.107 -16.780 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.671 -0.421 -16.773 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.018 -1.779 -17.695 1.00 0.00 H new ATOM 672 N GLU A 42 -5.240 -1.292 -8.743 1.00 0.00 N ATOM 673 CA GLU A 42 -5.206 -2.603 -8.117 1.00 0.00 C ATOM 674 C GLU A 42 -6.173 -2.650 -6.932 1.00 0.00 C ATOM 675 O GLU A 42 -7.089 -3.470 -6.905 1.00 0.00 O ATOM 676 CB GLU A 42 -3.786 -2.966 -7.681 1.00 0.00 C ATOM 677 CG GLU A 42 -3.179 -4.019 -8.611 1.00 0.00 C ATOM 678 CD GLU A 42 -2.322 -5.015 -7.826 1.00 0.00 C ATOM 679 OE1 GLU A 42 -1.154 -4.666 -7.552 1.00 0.00 O ATOM 680 OE2 GLU A 42 -2.856 -6.103 -7.518 1.00 0.00 O ATOM 0 H GLU A 42 -4.403 -0.728 -8.597 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.525 -3.343 -8.851 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.162 -2.072 -7.681 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.801 -3.344 -6.659 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.975 -4.551 -9.133 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.570 -3.530 -9.372 1.00 0.00 H new ATOM 687 N LYS A 43 -5.935 -1.759 -5.980 1.00 0.00 N ATOM 688 CA LYS A 43 -6.773 -1.689 -4.795 1.00 0.00 C ATOM 689 C LYS A 43 -8.138 -1.113 -5.174 1.00 0.00 C ATOM 690 O LYS A 43 -9.171 -1.718 -4.891 1.00 0.00 O ATOM 691 CB LYS A 43 -6.065 -0.910 -3.684 1.00 0.00 C ATOM 692 CG LYS A 43 -5.466 -1.860 -2.644 1.00 0.00 C ATOM 693 CD LYS A 43 -5.437 -1.211 -1.260 1.00 0.00 C ATOM 694 CE LYS A 43 -4.004 -0.874 -0.842 1.00 0.00 C ATOM 695 NZ LYS A 43 -4.004 -0.009 0.359 1.00 0.00 N ATOM 0 H LYS A 43 -5.174 -1.080 -6.005 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.948 -2.687 -4.393 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.277 -0.292 -4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.772 -0.235 -3.201 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.051 -2.779 -2.606 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.455 -2.138 -2.940 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.040 -0.303 -1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.884 -1.885 -0.529 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.454 -1.792 -0.636 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.489 -0.370 -1.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.024 0.210 0.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.511 0.875 0.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.477 -0.503 1.143 1.00 0.00 H new ATOM 709 N PHE A 44 -8.099 0.049 -5.810 1.00 0.00 N ATOM 710 CA PHE A 44 -9.321 0.712 -6.232 1.00 0.00 C ATOM 711 C PHE A 44 -10.513 0.253 -5.390 1.00 0.00 C ATOM 712 O PHE A 44 -11.463 -0.326 -5.915 1.00 0.00 O ATOM 713 CB PHE A 44 -9.562 0.321 -7.691 1.00 0.00 C ATOM 714 CG PHE A 44 -10.270 1.399 -8.516 1.00 0.00 C ATOM 715 CD1 PHE A 44 -9.581 2.492 -8.939 1.00 0.00 C ATOM 716 CD2 PHE A 44 -11.587 1.262 -8.825 1.00 0.00 C ATOM 717 CE1 PHE A 44 -10.238 3.492 -9.704 1.00 0.00 C ATOM 718 CE2 PHE A 44 -12.244 2.262 -9.590 1.00 0.00 C ATOM 719 CZ PHE A 44 -11.556 3.356 -10.013 1.00 0.00 C ATOM 0 H PHE A 44 -7.240 0.548 -6.043 1.00 0.00 H new ATOM 0 HA PHE A 44 -9.219 1.791 -6.112 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.604 0.091 -8.158 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.157 -0.592 -7.718 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -8.535 2.600 -8.693 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -12.133 0.393 -8.489 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.691 4.361 -10.041 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -13.290 2.154 -9.836 1.00 0.00 H new ATOM 0 HZ PHE A 44 -12.056 4.117 -10.594 1.00 0.00 H new ATOM 729 N PRO A 45 -10.423 0.536 -4.063 1.00 0.00 N ATOM 730 CA PRO A 45 -11.482 0.158 -3.143 1.00 0.00 C ATOM 731 C PRO A 45 -12.693 1.082 -3.292 1.00 0.00 C ATOM 732 O PRO A 45 -13.817 0.693 -2.979 1.00 0.00 O ATOM 733 CB PRO A 45 -10.848 0.228 -1.763 1.00 0.00 C ATOM 734 CG PRO A 45 -9.603 1.086 -1.919 1.00 0.00 C ATOM 735 CD PRO A 45 -9.313 1.220 -3.405 1.00 0.00 C ATOM 0 HA PRO A 45 -11.872 -0.841 -3.338 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -11.536 0.665 -1.039 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -10.593 -0.767 -1.399 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.757 2.067 -1.470 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.758 0.629 -1.405 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.259 2.267 -3.705 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.357 0.764 -3.665 1.00 0.00 H new ATOM 743 N ALA A 46 -12.422 2.287 -3.771 1.00 0.00 N ATOM 744 CA ALA A 46 -13.475 3.269 -3.966 1.00 0.00 C ATOM 745 C ALA A 46 -12.857 4.587 -4.438 1.00 0.00 C ATOM 746 O ALA A 46 -13.007 5.616 -3.782 1.00 0.00 O ATOM 747 CB ALA A 46 -14.270 3.429 -2.669 1.00 0.00 C ATOM 0 H ALA A 46 -11.488 2.606 -4.030 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.171 2.937 -4.736 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.060 4.166 -2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.713 2.472 -2.393 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.604 3.764 -1.873 1.00 0.00 H new ATOM 753 N TRP A 47 -12.175 4.511 -5.571 1.00 0.00 N ATOM 754 CA TRP A 47 -11.534 5.685 -6.138 1.00 0.00 C ATOM 755 C TRP A 47 -12.601 6.496 -6.877 1.00 0.00 C ATOM 756 O TRP A 47 -12.362 7.641 -7.258 1.00 0.00 O ATOM 757 CB TRP A 47 -10.358 5.289 -7.034 1.00 0.00 C ATOM 758 CG TRP A 47 -9.084 4.931 -6.265 1.00 0.00 C ATOM 759 CD1 TRP A 47 -8.898 3.926 -5.400 1.00 0.00 C ATOM 760 CD2 TRP A 47 -7.819 5.622 -6.330 1.00 0.00 C ATOM 761 NE1 TRP A 47 -7.611 3.918 -4.903 1.00 0.00 N ATOM 762 CE2 TRP A 47 -6.933 4.982 -5.487 1.00 0.00 C ATOM 763 CE3 TRP A 47 -7.435 6.750 -7.076 1.00 0.00 C ATOM 764 CZ2 TRP A 47 -5.608 5.396 -5.310 1.00 0.00 C ATOM 765 CZ3 TRP A 47 -6.107 7.151 -6.888 1.00 0.00 C ATOM 766 CH2 TRP A 47 -5.203 6.518 -6.043 1.00 0.00 C ATOM 0 H TRP A 47 -12.052 3.655 -6.112 1.00 0.00 H new ATOM 0 HA TRP A 47 -11.105 6.307 -5.352 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -10.652 4.437 -7.647 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -10.140 6.112 -7.715 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -9.660 3.211 -5.126 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -7.227 3.254 -4.231 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -8.111 7.266 -7.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.934 4.878 -4.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.760 8.013 -7.438 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -4.193 6.890 -5.952 1.00 0.00 H new ATOM 777 N GLN A 48 -13.755 5.871 -7.057 1.00 0.00 N ATOM 778 CA GLN A 48 -14.859 6.521 -7.743 1.00 0.00 C ATOM 779 C GLN A 48 -15.317 7.754 -6.962 1.00 0.00 C ATOM 780 O GLN A 48 -15.359 8.857 -7.504 1.00 0.00 O ATOM 781 CB GLN A 48 -16.019 5.547 -7.960 1.00 0.00 C ATOM 782 CG GLN A 48 -17.261 6.279 -8.470 1.00 0.00 C ATOM 783 CD GLN A 48 -18.537 5.666 -7.888 1.00 0.00 C ATOM 784 OE1 GLN A 48 -19.096 6.141 -6.914 1.00 0.00 O ATOM 785 NE2 GLN A 48 -18.963 4.587 -8.538 1.00 0.00 N ATOM 0 H GLN A 48 -13.950 4.921 -6.740 1.00 0.00 H new ATOM 0 HA GLN A 48 -14.512 6.845 -8.724 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -15.725 4.780 -8.676 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -16.251 5.038 -7.025 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -17.203 7.333 -8.199 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -17.294 6.231 -9.558 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -18.447 4.242 -9.347 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -19.806 4.104 -8.227 1.00 0.00 H new ATOM 794 N ASN A 49 -15.650 7.525 -5.700 1.00 0.00 N ATOM 795 CA ASN A 49 -16.104 8.604 -4.839 1.00 0.00 C ATOM 796 C ASN A 49 -14.893 9.381 -4.320 1.00 0.00 C ATOM 797 O ASN A 49 -14.951 10.600 -4.168 1.00 0.00 O ATOM 798 CB ASN A 49 -16.869 8.059 -3.631 1.00 0.00 C ATOM 799 CG ASN A 49 -17.386 6.645 -3.901 1.00 0.00 C ATOM 800 OD1 ASN A 49 -17.788 6.303 -5.001 1.00 0.00 O ATOM 801 ND2 ASN A 49 -17.354 5.845 -2.839 1.00 0.00 N ATOM 0 H ASN A 49 -15.614 6.609 -5.253 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.762 9.247 -5.423 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -16.218 8.051 -2.757 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -17.706 8.718 -3.399 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.678 4.881 -2.917 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -17.005 6.195 -1.947 1.00 0.00 H new ATOM 808 N SER A 50 -13.823 8.643 -4.061 1.00 0.00 N ATOM 809 CA SER A 50 -12.599 9.247 -3.562 1.00 0.00 C ATOM 810 C SER A 50 -12.098 10.304 -4.549 1.00 0.00 C ATOM 811 O SER A 50 -11.841 11.444 -4.165 1.00 0.00 O ATOM 812 CB SER A 50 -11.520 8.189 -3.323 1.00 0.00 C ATOM 813 OG SER A 50 -11.437 7.811 -1.952 1.00 0.00 O ATOM 0 H SER A 50 -13.779 7.632 -4.187 1.00 0.00 H new ATOM 0 HA SER A 50 -12.817 9.725 -2.607 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.735 7.309 -3.929 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.555 8.575 -3.652 1.00 0.00 H new ATOM 0 HG SER A 50 -10.497 7.690 -1.702 1.00 0.00 H new ATOM 819 N ILE A 51 -11.973 9.887 -5.800 1.00 0.00 N ATOM 820 CA ILE A 51 -11.507 10.783 -6.844 1.00 0.00 C ATOM 821 C ILE A 51 -12.582 11.835 -7.126 1.00 0.00 C ATOM 822 O ILE A 51 -12.303 13.032 -7.115 1.00 0.00 O ATOM 823 CB ILE A 51 -11.084 9.990 -8.082 1.00 0.00 C ATOM 824 CG1 ILE A 51 -9.870 10.633 -8.757 1.00 0.00 C ATOM 825 CG2 ILE A 51 -12.255 9.820 -9.051 1.00 0.00 C ATOM 826 CD1 ILE A 51 -8.568 10.162 -8.106 1.00 0.00 C ATOM 0 H ILE A 51 -12.186 8.940 -6.114 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.615 11.318 -6.516 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.784 8.992 -7.762 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -9.863 10.381 -9.817 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -9.943 11.718 -8.688 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.927 9.253 -9.922 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.064 9.285 -8.554 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -12.610 10.801 -9.369 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.721 10.634 -8.604 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.568 10.437 -7.051 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.486 9.079 -8.198 1.00 0.00 H new ATOM 838 N ARG A 52 -13.790 11.348 -7.371 1.00 0.00 N ATOM 839 CA ARG A 52 -14.909 12.231 -7.655 1.00 0.00 C ATOM 840 C ARG A 52 -15.105 13.225 -6.509 1.00 0.00 C ATOM 841 O ARG A 52 -15.598 14.332 -6.720 1.00 0.00 O ATOM 842 CB ARG A 52 -16.200 11.436 -7.858 1.00 0.00 C ATOM 843 CG ARG A 52 -16.269 10.852 -9.271 1.00 0.00 C ATOM 844 CD ARG A 52 -17.701 10.453 -9.630 1.00 0.00 C ATOM 845 NE ARG A 52 -17.706 9.134 -10.300 1.00 0.00 N ATOM 846 CZ ARG A 52 -18.230 8.909 -11.513 1.00 0.00 C ATOM 847 NH1 ARG A 52 -18.794 9.914 -12.196 1.00 0.00 N ATOM 848 NH2 ARG A 52 -18.189 7.678 -12.043 1.00 0.00 N ATOM 0 H ARG A 52 -14.018 10.354 -7.379 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.680 12.771 -8.574 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -16.254 10.631 -7.125 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -17.060 12.083 -7.686 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.901 11.584 -9.989 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -15.617 9.981 -9.341 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -18.313 10.415 -8.729 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -18.143 11.204 -10.284 1.00 0.00 H new ATOM 0 HE ARG A 52 -17.284 8.346 -9.808 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -18.825 10.850 -11.793 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -19.193 9.743 -13.119 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -17.759 6.913 -11.523 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.588 7.507 -12.966 1.00 0.00 H new ATOM 862 N HIS A 53 -14.710 12.794 -5.320 1.00 0.00 N ATOM 863 CA HIS A 53 -14.836 13.632 -4.140 1.00 0.00 C ATOM 864 C HIS A 53 -13.761 14.721 -4.167 1.00 0.00 C ATOM 865 O HIS A 53 -14.076 15.909 -4.136 1.00 0.00 O ATOM 866 CB HIS A 53 -14.792 12.786 -2.866 1.00 0.00 C ATOM 867 CG HIS A 53 -14.764 13.597 -1.592 1.00 0.00 C ATOM 868 ND1 HIS A 53 -13.720 13.979 -0.801 1.00 0.00 N flip ATOM 869 CD2 HIS A 53 -15.908 14.106 -1.002 1.00 0.00 C flip ATOM 870 CE1 HIS A 53 -14.200 14.685 0.216 1.00 0.00 C flip ATOM 871 NE2 HIS A 53 -15.557 14.764 0.093 1.00 0.00 N flip ATOM 0 H HIS A 53 -14.302 11.875 -5.149 1.00 0.00 H new ATOM 0 HA HIS A 53 -15.806 14.128 -4.143 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -15.662 12.129 -2.848 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -13.910 12.146 -2.897 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -12.737 13.759 -0.963 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -16.916 13.987 -1.372 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -13.614 15.124 1.009 1.00 0.00 H new ATOM 879 N ASN A 54 -12.515 14.276 -4.223 1.00 0.00 N ATOM 880 CA ASN A 54 -11.392 15.197 -4.254 1.00 0.00 C ATOM 881 C ASN A 54 -11.413 15.976 -5.571 1.00 0.00 C ATOM 882 O ASN A 54 -10.730 16.990 -5.708 1.00 0.00 O ATOM 883 CB ASN A 54 -10.061 14.447 -4.170 1.00 0.00 C ATOM 884 CG ASN A 54 -9.958 13.658 -2.864 1.00 0.00 C ATOM 885 OD1 ASN A 54 -10.946 13.314 -2.236 1.00 0.00 O ATOM 886 ND2 ASN A 54 -8.710 13.391 -2.490 1.00 0.00 N ATOM 0 H ASN A 54 -12.258 13.289 -4.248 1.00 0.00 H new ATOM 0 HA ASN A 54 -11.483 15.867 -3.399 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -9.968 13.768 -5.018 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -9.235 15.155 -4.237 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.536 12.869 -1.631 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.927 13.708 -3.062 1.00 0.00 H new ATOM 893 N LEU A 55 -12.204 15.472 -6.507 1.00 0.00 N ATOM 894 CA LEU A 55 -12.323 16.108 -7.808 1.00 0.00 C ATOM 895 C LEU A 55 -13.357 17.232 -7.729 1.00 0.00 C ATOM 896 O LEU A 55 -13.061 18.378 -8.064 1.00 0.00 O ATOM 897 CB LEU A 55 -12.628 15.067 -8.887 1.00 0.00 C ATOM 898 CG LEU A 55 -12.566 15.562 -10.334 1.00 0.00 C ATOM 899 CD1 LEU A 55 -11.337 16.445 -10.558 1.00 0.00 C ATOM 900 CD2 LEU A 55 -12.618 14.391 -11.317 1.00 0.00 C ATOM 0 H LEU A 55 -12.769 14.631 -6.390 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.376 16.565 -8.096 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.925 14.241 -8.776 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -13.624 14.664 -8.704 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.445 16.179 -10.523 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.316 16.784 -11.594 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.384 17.309 -9.895 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.434 15.873 -10.345 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.572 14.771 -12.338 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.772 13.728 -11.138 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.547 13.839 -11.176 1.00 0.00 H new ATOM 912 N SER A 56 -14.550 16.866 -7.283 1.00 0.00 N ATOM 913 CA SER A 56 -15.630 17.829 -7.156 1.00 0.00 C ATOM 914 C SER A 56 -15.473 18.622 -5.856 1.00 0.00 C ATOM 915 O SER A 56 -15.496 19.852 -5.868 1.00 0.00 O ATOM 916 CB SER A 56 -16.994 17.137 -7.194 1.00 0.00 C ATOM 917 OG SER A 56 -17.706 17.293 -5.969 1.00 0.00 O ATOM 0 H SER A 56 -14.792 15.915 -7.005 1.00 0.00 H new ATOM 0 HA SER A 56 -15.578 18.515 -8.002 1.00 0.00 H new ATOM 0 HB2 SER A 56 -17.586 17.547 -8.012 1.00 0.00 H new ATOM 0 HB3 SER A 56 -16.857 16.076 -7.401 1.00 0.00 H new ATOM 0 HG SER A 56 -18.572 16.839 -6.034 1.00 0.00 H new ATOM 923 N LEU A 57 -15.317 17.885 -4.766 1.00 0.00 N ATOM 924 CA LEU A 57 -15.157 18.504 -3.461 1.00 0.00 C ATOM 925 C LEU A 57 -13.706 18.959 -3.292 1.00 0.00 C ATOM 926 O LEU A 57 -12.861 18.193 -2.830 1.00 0.00 O ATOM 927 CB LEU A 57 -15.637 17.559 -2.358 1.00 0.00 C ATOM 928 CG LEU A 57 -17.083 17.750 -1.894 1.00 0.00 C ATOM 929 CD1 LEU A 57 -17.240 19.057 -1.114 1.00 0.00 C ATOM 930 CD2 LEU A 57 -18.053 17.666 -3.074 1.00 0.00 C ATOM 0 H LEU A 57 -15.298 16.865 -4.760 1.00 0.00 H new ATOM 0 HA LEU A 57 -15.782 19.393 -3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -15.521 16.534 -2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -14.981 17.676 -1.495 1.00 0.00 H new ATOM 0 HG LEU A 57 -17.334 16.937 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -18.277 19.169 -0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -16.592 19.038 -0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -16.964 19.897 -1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -19.073 17.805 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -17.813 18.444 -3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -17.965 16.689 -3.549 1.00 0.00 H new ATOM 942 N ASN A 58 -13.461 20.203 -3.676 1.00 0.00 N ATOM 943 CA ASN A 58 -12.127 20.769 -3.573 1.00 0.00 C ATOM 944 C ASN A 58 -11.942 21.829 -4.661 1.00 0.00 C ATOM 945 O ASN A 58 -11.568 22.964 -4.369 1.00 0.00 O ATOM 946 CB ASN A 58 -11.056 19.695 -3.773 1.00 0.00 C ATOM 947 CG ASN A 58 -10.588 19.131 -2.430 1.00 0.00 C ATOM 948 OD1 ASN A 58 -10.518 17.931 -2.222 1.00 0.00 O ATOM 949 ND2 ASN A 58 -10.272 20.061 -1.533 1.00 0.00 N ATOM 0 H ASN A 58 -14.164 20.835 -4.059 1.00 0.00 H new ATOM 0 HA ASN A 58 -12.021 21.203 -2.579 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -11.454 18.890 -4.391 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -10.207 20.118 -4.309 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -9.948 19.786 -0.606 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.353 21.049 -1.773 1.00 0.00 H new ATOM 956 N ASP A 59 -12.212 21.421 -5.892 1.00 0.00 N ATOM 957 CA ASP A 59 -12.080 22.322 -7.025 1.00 0.00 C ATOM 958 C ASP A 59 -13.328 23.202 -7.119 1.00 0.00 C ATOM 959 O ASP A 59 -13.229 24.400 -7.380 1.00 0.00 O ATOM 960 CB ASP A 59 -11.950 21.543 -8.335 1.00 0.00 C ATOM 961 CG ASP A 59 -10.782 20.556 -8.388 1.00 0.00 C ATOM 962 OD1 ASP A 59 -10.165 20.350 -7.320 1.00 0.00 O ATOM 963 OD2 ASP A 59 -10.533 20.030 -9.494 1.00 0.00 O ATOM 0 H ASP A 59 -12.522 20.479 -6.130 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.185 22.926 -6.874 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.877 20.996 -8.508 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.842 22.254 -9.154 1.00 0.00 H new ATOM 968 N CYS A 60 -14.474 22.573 -6.903 1.00 0.00 N ATOM 969 CA CYS A 60 -15.740 23.284 -6.960 1.00 0.00 C ATOM 970 C CYS A 60 -15.984 23.714 -8.408 1.00 0.00 C ATOM 971 O CYS A 60 -15.834 24.888 -8.744 1.00 0.00 O ATOM 972 CB CYS A 60 -15.765 24.474 -5.999 1.00 0.00 C ATOM 973 SG CYS A 60 -16.016 23.888 -4.284 1.00 0.00 S ATOM 0 H CYS A 60 -14.552 21.579 -6.688 1.00 0.00 H new ATOM 0 HA CYS A 60 -16.545 22.624 -6.637 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -14.829 25.029 -6.069 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -16.564 25.161 -6.278 1.00 0.00 H new ATOM 0 HG CYS A 60 -16.033 24.906 -3.476 1.00 0.00 H new ATOM 979 N PHE A 61 -16.356 22.741 -9.226 1.00 0.00 N ATOM 980 CA PHE A 61 -16.622 23.004 -10.630 1.00 0.00 C ATOM 981 C PHE A 61 -17.983 22.441 -11.046 1.00 0.00 C ATOM 982 O PHE A 61 -18.924 22.434 -10.253 1.00 0.00 O ATOM 983 CB PHE A 61 -15.526 22.301 -11.433 1.00 0.00 C ATOM 984 CG PHE A 61 -15.241 20.869 -10.975 1.00 0.00 C ATOM 985 CD1 PHE A 61 -16.270 20.008 -10.753 1.00 0.00 C ATOM 986 CD2 PHE A 61 -13.958 20.458 -10.789 1.00 0.00 C ATOM 987 CE1 PHE A 61 -16.005 18.680 -10.328 1.00 0.00 C ATOM 988 CE2 PHE A 61 -13.693 19.129 -10.364 1.00 0.00 C ATOM 989 CZ PHE A 61 -14.722 18.268 -10.143 1.00 0.00 C ATOM 0 H PHE A 61 -16.480 21.769 -8.943 1.00 0.00 H new ATOM 0 HA PHE A 61 -16.633 24.079 -10.811 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -15.814 22.285 -12.484 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -14.608 22.884 -11.363 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -17.289 20.335 -10.900 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -13.141 21.142 -10.964 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -16.822 17.996 -10.151 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -12.674 18.802 -10.216 1.00 0.00 H new ATOM 0 HZ PHE A 61 -14.521 17.257 -9.821 1.00 0.00 H new ATOM 999 N VAL A 62 -18.044 21.984 -12.288 1.00 0.00 N ATOM 1000 CA VAL A 62 -19.274 21.420 -12.818 1.00 0.00 C ATOM 1001 C VAL A 62 -18.955 20.124 -13.566 1.00 0.00 C ATOM 1002 O VAL A 62 -17.831 19.928 -14.024 1.00 0.00 O ATOM 1003 CB VAL A 62 -19.990 22.454 -13.690 1.00 0.00 C ATOM 1004 CG1 VAL A 62 -20.344 23.703 -12.881 1.00 0.00 C ATOM 1005 CG2 VAL A 62 -19.148 22.814 -14.915 1.00 0.00 C ATOM 0 H VAL A 62 -17.262 21.993 -12.943 1.00 0.00 H new ATOM 0 HA VAL A 62 -19.959 21.167 -12.008 1.00 0.00 H new ATOM 0 HB VAL A 62 -20.921 22.009 -14.042 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -20.852 24.421 -13.524 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -21.000 23.428 -12.055 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -19.432 24.151 -12.486 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -19.679 23.550 -15.518 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -18.194 23.230 -14.591 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -18.970 21.918 -15.510 1.00 0.00 H new ATOM 1015 N LYS A 63 -19.966 19.273 -13.667 1.00 0.00 N ATOM 1016 CA LYS A 63 -19.807 18.002 -14.352 1.00 0.00 C ATOM 1017 C LYS A 63 -21.031 17.746 -15.233 1.00 0.00 C ATOM 1018 O LYS A 63 -21.973 18.537 -15.239 1.00 0.00 O ATOM 1019 CB LYS A 63 -19.528 16.882 -13.347 1.00 0.00 C ATOM 1020 CG LYS A 63 -18.512 17.331 -12.295 1.00 0.00 C ATOM 1021 CD LYS A 63 -19.215 17.883 -11.053 1.00 0.00 C ATOM 1022 CE LYS A 63 -19.401 16.790 -9.998 1.00 0.00 C ATOM 1023 NZ LYS A 63 -20.099 17.331 -8.810 1.00 0.00 N ATOM 0 H LYS A 63 -20.897 19.439 -13.286 1.00 0.00 H new ATOM 0 HA LYS A 63 -18.939 18.031 -15.011 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -20.457 16.587 -12.858 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -19.151 16.004 -13.871 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -17.878 16.490 -12.015 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -17.859 18.095 -12.717 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -18.631 18.702 -10.634 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -20.186 18.293 -11.332 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -19.974 15.964 -10.419 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -18.430 16.389 -9.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -20.098 16.619 -8.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -19.610 18.188 -8.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -21.080 17.567 -9.061 1.00 0.00 H new ATOM 1037 N ILE A 64 -20.979 16.637 -15.957 1.00 0.00 N ATOM 1038 CA ILE A 64 -22.072 16.267 -16.840 1.00 0.00 C ATOM 1039 C ILE A 64 -22.646 14.920 -16.396 1.00 0.00 C ATOM 1040 O ILE A 64 -21.973 13.895 -16.483 1.00 0.00 O ATOM 1041 CB ILE A 64 -21.613 16.289 -18.299 1.00 0.00 C ATOM 1042 CG1 ILE A 64 -21.523 17.723 -18.824 1.00 0.00 C ATOM 1043 CG2 ILE A 64 -22.516 15.414 -19.171 1.00 0.00 C ATOM 1044 CD1 ILE A 64 -22.917 18.315 -19.042 1.00 0.00 C ATOM 0 H ILE A 64 -20.197 15.983 -15.950 1.00 0.00 H new ATOM 0 HA ILE A 64 -22.880 16.996 -16.773 1.00 0.00 H new ATOM 0 HB ILE A 64 -20.610 15.865 -18.348 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -20.969 18.339 -18.116 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -20.967 17.737 -19.762 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -22.168 15.447 -20.203 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -22.485 14.386 -18.810 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -23.540 15.785 -19.121 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -22.825 19.335 -19.415 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -23.460 17.710 -19.769 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -23.461 18.322 -18.097 1.00 0.00 H new ATOM 1056 N PRO A 65 -23.919 14.968 -15.918 1.00 0.00 N ATOM 1057 CA PRO A 65 -24.592 13.764 -15.460 1.00 0.00 C ATOM 1058 C PRO A 65 -25.032 12.899 -16.643 1.00 0.00 C ATOM 1059 O PRO A 65 -24.825 13.268 -17.798 1.00 0.00 O ATOM 1060 CB PRO A 65 -25.758 14.260 -14.621 1.00 0.00 C ATOM 1061 CG PRO A 65 -25.969 15.712 -15.018 1.00 0.00 C ATOM 1062 CD PRO A 65 -24.747 16.164 -15.800 1.00 0.00 C ATOM 0 HA PRO A 65 -23.942 13.117 -14.871 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -26.654 13.669 -14.810 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -25.538 14.174 -13.557 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -26.869 15.815 -15.624 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -26.107 16.333 -14.133 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -25.025 16.551 -16.780 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -24.217 16.963 -15.280 1.00 0.00 H new ATOM 1070 N ARG A 66 -25.630 11.763 -16.314 1.00 0.00 N ATOM 1071 CA ARG A 66 -26.101 10.843 -17.334 1.00 0.00 C ATOM 1072 C ARG A 66 -26.671 11.616 -18.525 1.00 0.00 C ATOM 1073 O ARG A 66 -27.784 12.135 -18.457 1.00 0.00 O ATOM 1074 CB ARG A 66 -27.178 9.909 -16.779 1.00 0.00 C ATOM 1075 CG ARG A 66 -27.714 8.979 -17.870 1.00 0.00 C ATOM 1076 CD ARG A 66 -26.840 7.730 -18.003 1.00 0.00 C ATOM 1077 NE ARG A 66 -27.137 7.039 -19.278 1.00 0.00 N ATOM 1078 CZ ARG A 66 -28.053 6.069 -19.411 1.00 0.00 C ATOM 1079 NH1 ARG A 66 -28.766 5.671 -18.349 1.00 0.00 N ATOM 1080 NH2 ARG A 66 -28.255 5.498 -20.606 1.00 0.00 N ATOM 0 H ARG A 66 -25.799 11.459 -15.355 1.00 0.00 H new ATOM 0 HA ARG A 66 -25.249 10.245 -17.659 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -26.765 9.317 -15.962 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -27.996 10.498 -16.364 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -28.738 8.688 -17.634 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -27.745 9.509 -18.822 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -25.787 8.007 -17.967 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -27.022 7.058 -17.164 1.00 0.00 H new ATOM 0 HE ARG A 66 -26.612 7.318 -20.107 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -28.612 6.106 -17.439 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -29.463 4.933 -18.450 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -27.712 5.801 -21.414 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -28.952 4.760 -20.707 1.00 0.00 H new ATOM 1094 N GLU A 67 -25.882 11.668 -19.588 1.00 0.00 N ATOM 1095 CA GLU A 67 -26.294 12.370 -20.792 1.00 0.00 C ATOM 1096 C GLU A 67 -26.136 11.464 -22.015 1.00 0.00 C ATOM 1097 O GLU A 67 -25.460 10.439 -21.949 1.00 0.00 O ATOM 1098 CB GLU A 67 -25.506 13.669 -20.967 1.00 0.00 C ATOM 1099 CG GLU A 67 -26.406 14.889 -20.763 1.00 0.00 C ATOM 1100 CD GLU A 67 -25.793 16.136 -21.403 1.00 0.00 C ATOM 1101 OE1 GLU A 67 -24.801 16.638 -20.830 1.00 0.00 O ATOM 1102 OE2 GLU A 67 -26.329 16.559 -22.449 1.00 0.00 O ATOM 0 H GLU A 67 -24.960 11.236 -19.641 1.00 0.00 H new ATOM 0 HA GLU A 67 -27.347 12.634 -20.693 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -24.682 13.697 -20.254 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -25.066 13.700 -21.964 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -27.387 14.698 -21.197 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -26.557 15.060 -19.697 1.00 0.00 H new ATOM 1109 N PRO A 68 -26.789 11.885 -23.131 1.00 0.00 N ATOM 1110 CA PRO A 68 -26.727 11.123 -24.367 1.00 0.00 C ATOM 1111 C PRO A 68 -25.371 11.299 -25.052 1.00 0.00 C ATOM 1112 O PRO A 68 -25.294 11.834 -26.156 1.00 0.00 O ATOM 1113 CB PRO A 68 -27.887 11.638 -25.204 1.00 0.00 C ATOM 1114 CG PRO A 68 -28.269 12.982 -24.606 1.00 0.00 C ATOM 1115 CD PRO A 68 -27.600 13.094 -23.246 1.00 0.00 C ATOM 0 HA PRO A 68 -26.816 10.049 -24.204 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -27.597 11.744 -26.249 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -28.728 10.945 -25.175 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -27.948 13.795 -25.257 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -29.352 13.062 -24.507 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -26.985 13.991 -23.180 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -28.338 13.154 -22.446 1.00 0.00 H new ATOM 1123 N GLY A 69 -24.334 10.837 -24.368 1.00 0.00 N ATOM 1124 CA GLY A 69 -22.985 10.935 -24.897 1.00 0.00 C ATOM 1125 C GLY A 69 -22.483 9.572 -25.378 1.00 0.00 C ATOM 1126 O GLY A 69 -22.448 9.308 -26.578 1.00 0.00 O ATOM 0 H GLY A 69 -24.402 10.394 -23.452 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -22.966 11.646 -25.723 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -22.316 11.322 -24.128 1.00 0.00 H new ATOM 1130 N ASN A 70 -22.107 8.743 -24.415 1.00 0.00 N ATOM 1131 CA ASN A 70 -21.609 7.413 -24.726 1.00 0.00 C ATOM 1132 C ASN A 70 -22.185 6.411 -23.724 1.00 0.00 C ATOM 1133 O ASN A 70 -22.104 6.621 -22.514 1.00 0.00 O ATOM 1134 CB ASN A 70 -20.083 7.359 -24.625 1.00 0.00 C ATOM 1135 CG ASN A 70 -19.458 8.689 -25.052 1.00 0.00 C ATOM 1136 OD1 ASN A 70 -19.690 9.691 -24.210 1.00 0.00 O flip ATOM 1137 ND2 ASN A 70 -18.808 8.797 -26.079 1.00 0.00 N flip ATOM 0 H ASN A 70 -22.137 8.966 -23.420 1.00 0.00 H new ATOM 0 HA ASN A 70 -21.912 7.169 -25.744 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -19.791 7.128 -23.601 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -19.701 6.555 -25.254 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -18.668 7.986 -26.682 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -18.405 9.698 -26.335 1.00 0.00 H new ATOM 1144 N PRO A 71 -22.768 5.314 -24.278 1.00 0.00 N ATOM 1145 CA PRO A 71 -23.357 4.279 -23.446 1.00 0.00 C ATOM 1146 C PRO A 71 -22.274 3.416 -22.795 1.00 0.00 C ATOM 1147 O PRO A 71 -21.650 2.591 -23.460 1.00 0.00 O ATOM 1148 CB PRO A 71 -24.262 3.492 -24.380 1.00 0.00 C ATOM 1149 CG PRO A 71 -23.794 3.820 -25.788 1.00 0.00 C ATOM 1150 CD PRO A 71 -22.881 5.033 -25.706 1.00 0.00 C ATOM 0 HA PRO A 71 -23.926 4.685 -22.609 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -24.190 2.422 -24.184 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -25.306 3.772 -24.240 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -23.264 2.972 -26.221 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -24.646 4.027 -26.435 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -21.906 4.826 -26.147 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -23.301 5.882 -26.245 1.00 0.00 H new ATOM 1158 N GLY A 72 -22.084 3.637 -21.503 1.00 0.00 N ATOM 1159 CA GLY A 72 -21.087 2.891 -20.754 1.00 0.00 C ATOM 1160 C GLY A 72 -20.461 3.757 -19.659 1.00 0.00 C ATOM 1161 O GLY A 72 -20.936 3.767 -18.524 1.00 0.00 O ATOM 0 H GLY A 72 -22.604 4.323 -20.955 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -21.547 2.010 -20.307 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -20.310 2.536 -21.430 1.00 0.00 H new ATOM 1165 N LYS A 73 -19.406 4.462 -20.037 1.00 0.00 N ATOM 1166 CA LYS A 73 -18.710 5.329 -19.101 1.00 0.00 C ATOM 1167 C LYS A 73 -18.208 6.571 -19.840 1.00 0.00 C ATOM 1168 O LYS A 73 -17.004 6.813 -19.908 1.00 0.00 O ATOM 1169 CB LYS A 73 -17.607 4.558 -18.375 1.00 0.00 C ATOM 1170 CG LYS A 73 -17.810 4.606 -16.859 1.00 0.00 C ATOM 1171 CD LYS A 73 -17.076 3.454 -16.171 1.00 0.00 C ATOM 1172 CE LYS A 73 -17.915 2.873 -15.031 1.00 0.00 C ATOM 1173 NZ LYS A 73 -18.015 1.401 -15.158 1.00 0.00 N ATOM 0 H LYS A 73 -19.015 4.451 -20.979 1.00 0.00 H new ATOM 0 HA LYS A 73 -19.391 5.674 -18.323 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -17.601 3.521 -18.712 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -16.635 4.981 -18.629 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -17.447 5.557 -16.470 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -18.874 4.553 -16.629 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.854 2.673 -16.899 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -16.121 3.807 -15.781 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.465 3.131 -14.072 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -18.912 3.314 -15.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.588 1.023 -14.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -18.465 1.161 -16.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.063 0.984 -15.123 1.00 0.00 H new ATOM 1187 N GLY A 74 -19.157 7.326 -20.375 1.00 0.00 N ATOM 1188 CA GLY A 74 -18.826 8.537 -21.107 1.00 0.00 C ATOM 1189 C GLY A 74 -19.517 9.756 -20.491 1.00 0.00 C ATOM 1190 O GLY A 74 -20.743 9.856 -20.515 1.00 0.00 O ATOM 0 H GLY A 74 -20.155 7.122 -20.316 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -17.746 8.686 -21.102 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -19.129 8.431 -22.149 1.00 0.00 H new ATOM 1194 N ASN A 75 -18.701 10.651 -19.954 1.00 0.00 N ATOM 1195 CA ASN A 75 -19.218 11.858 -19.333 1.00 0.00 C ATOM 1196 C ASN A 75 -18.298 13.034 -19.669 1.00 0.00 C ATOM 1197 O ASN A 75 -17.370 12.893 -20.463 1.00 0.00 O ATOM 1198 CB ASN A 75 -19.268 11.717 -17.811 1.00 0.00 C ATOM 1199 CG ASN A 75 -18.143 10.810 -17.307 1.00 0.00 C ATOM 1200 OD1 ASN A 75 -17.264 10.399 -18.046 1.00 0.00 O ATOM 1201 ND2 ASN A 75 -18.220 10.522 -16.011 1.00 0.00 N ATOM 0 H ASN A 75 -17.685 10.564 -19.936 1.00 0.00 H new ATOM 0 HA ASN A 75 -20.226 12.027 -19.713 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -19.182 12.700 -17.348 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -20.232 11.307 -17.512 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -17.516 9.923 -15.579 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -18.983 10.900 -15.449 1.00 0.00 H new ATOM 1208 N TYR A 76 -18.588 14.167 -19.047 1.00 0.00 N ATOM 1209 CA TYR A 76 -17.799 15.366 -19.270 1.00 0.00 C ATOM 1210 C TYR A 76 -17.743 16.229 -18.008 1.00 0.00 C ATOM 1211 O TYR A 76 -18.777 16.533 -17.414 1.00 0.00 O ATOM 1212 CB TYR A 76 -18.517 16.145 -20.374 1.00 0.00 C ATOM 1213 CG TYR A 76 -18.697 15.358 -21.674 1.00 0.00 C ATOM 1214 CD1 TYR A 76 -17.595 15.009 -22.428 1.00 0.00 C ATOM 1215 CD2 TYR A 76 -19.962 14.997 -22.092 1.00 0.00 C ATOM 1216 CE1 TYR A 76 -17.765 14.269 -23.651 1.00 0.00 C ATOM 1217 CE2 TYR A 76 -20.132 14.257 -23.316 1.00 0.00 C ATOM 1218 CZ TYR A 76 -19.025 13.929 -24.035 1.00 0.00 C ATOM 1219 OH TYR A 76 -19.185 13.230 -25.190 1.00 0.00 O ATOM 0 H TYR A 76 -19.359 14.280 -18.388 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.775 15.106 -19.539 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -19.497 16.453 -20.009 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -17.956 17.055 -20.587 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -16.605 15.291 -22.101 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -20.824 15.269 -21.501 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -16.911 13.990 -24.250 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -21.116 13.969 -23.655 1.00 0.00 H new ATOM 0 HH TYR A 76 -20.138 13.056 -25.338 1.00 0.00 H new ATOM 1229 N TRP A 77 -16.527 16.598 -17.635 1.00 0.00 N ATOM 1230 CA TRP A 77 -16.323 17.420 -16.454 1.00 0.00 C ATOM 1231 C TRP A 77 -15.599 18.697 -16.885 1.00 0.00 C ATOM 1232 O TRP A 77 -14.701 18.652 -17.725 1.00 0.00 O ATOM 1233 CB TRP A 77 -15.573 16.644 -15.369 1.00 0.00 C ATOM 1234 CG TRP A 77 -16.400 15.540 -14.708 1.00 0.00 C ATOM 1235 CD1 TRP A 77 -17.274 14.705 -15.287 1.00 0.00 C ATOM 1236 CD2 TRP A 77 -16.395 15.182 -13.310 1.00 0.00 C ATOM 1237 NE1 TRP A 77 -17.831 13.839 -14.368 1.00 0.00 N ATOM 1238 CE2 TRP A 77 -17.279 14.138 -13.128 1.00 0.00 C ATOM 1239 CE3 TRP A 77 -15.668 15.722 -12.235 1.00 0.00 C ATOM 1240 CZ2 TRP A 77 -17.519 13.545 -11.883 1.00 0.00 C ATOM 1241 CZ3 TRP A 77 -15.919 15.118 -10.997 1.00 0.00 C ATOM 1242 CH2 TRP A 77 -16.805 14.067 -10.797 1.00 0.00 C ATOM 0 H TRP A 77 -15.672 16.343 -18.130 1.00 0.00 H new ATOM 0 HA TRP A 77 -17.278 17.696 -16.007 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -14.678 16.201 -15.807 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -15.240 17.343 -14.602 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -17.512 14.709 -16.340 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -18.521 13.113 -14.563 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -14.971 16.538 -12.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -18.217 12.729 -11.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -15.386 15.496 -10.137 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -16.943 13.654 -9.809 1.00 0.00 H new ATOM 1253 N THR A 78 -16.016 19.805 -16.291 1.00 0.00 N ATOM 1254 CA THR A 78 -15.418 21.092 -16.603 1.00 0.00 C ATOM 1255 C THR A 78 -15.042 21.831 -15.318 1.00 0.00 C ATOM 1256 O THR A 78 -15.789 21.806 -14.341 1.00 0.00 O ATOM 1257 CB THR A 78 -16.399 21.867 -17.485 1.00 0.00 C ATOM 1258 OG1 THR A 78 -16.453 21.112 -18.692 1.00 0.00 O ATOM 1259 CG2 THR A 78 -15.848 23.227 -17.919 1.00 0.00 C ATOM 0 H THR A 78 -16.761 19.838 -15.595 1.00 0.00 H new ATOM 0 HA THR A 78 -14.486 20.972 -17.156 1.00 0.00 H new ATOM 0 HB THR A 78 -17.336 22.011 -16.946 1.00 0.00 H new ATOM 0 HG1 THR A 78 -17.069 21.544 -19.321 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.583 23.735 -18.543 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.639 23.833 -17.037 1.00 0.00 H new ATOM 0 HG23 THR A 78 -14.929 23.083 -18.487 1.00 0.00 H new ATOM 1267 N LEU A 79 -13.883 22.472 -15.359 1.00 0.00 N ATOM 1268 CA LEU A 79 -13.398 23.216 -14.210 1.00 0.00 C ATOM 1269 C LEU A 79 -13.319 24.702 -14.567 1.00 0.00 C ATOM 1270 O LEU A 79 -13.215 25.058 -15.739 1.00 0.00 O ATOM 1271 CB LEU A 79 -12.074 22.632 -13.713 1.00 0.00 C ATOM 1272 CG LEU A 79 -11.593 23.127 -12.347 1.00 0.00 C ATOM 1273 CD1 LEU A 79 -10.777 22.050 -11.629 1.00 0.00 C ATOM 1274 CD2 LEU A 79 -10.818 24.440 -12.481 1.00 0.00 C ATOM 0 H LEU A 79 -13.266 22.491 -16.171 1.00 0.00 H new ATOM 0 HA LEU A 79 -14.093 23.124 -13.376 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.171 21.547 -13.670 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.302 22.854 -14.450 1.00 0.00 H new ATOM 0 HG LEU A 79 -12.468 23.331 -11.731 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.448 22.428 -10.661 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.394 21.164 -11.482 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.907 21.790 -12.232 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.488 24.770 -11.496 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.950 24.286 -13.122 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.464 25.200 -12.920 1.00 0.00 H new ATOM 1286 N ASP A 80 -13.371 25.530 -13.533 1.00 0.00 N ATOM 1287 CA ASP A 80 -13.307 26.969 -13.723 1.00 0.00 C ATOM 1288 C ASP A 80 -11.907 27.354 -14.204 1.00 0.00 C ATOM 1289 O ASP A 80 -10.947 26.615 -13.986 1.00 0.00 O ATOM 1290 CB ASP A 80 -13.577 27.710 -12.412 1.00 0.00 C ATOM 1291 CG ASP A 80 -15.013 28.205 -12.233 1.00 0.00 C ATOM 1292 OD1 ASP A 80 -15.678 28.407 -13.272 1.00 0.00 O ATOM 1293 OD2 ASP A 80 -15.415 28.371 -11.061 1.00 0.00 O ATOM 0 H ASP A 80 -13.457 25.231 -12.561 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.064 27.246 -14.457 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -13.330 27.049 -11.581 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.904 28.565 -12.350 1.00 0.00 H new ATOM 1298 N PRO A 81 -11.832 28.539 -14.866 1.00 0.00 N ATOM 1299 CA PRO A 81 -10.565 29.031 -15.380 1.00 0.00 C ATOM 1300 C PRO A 81 -9.686 29.568 -14.248 1.00 0.00 C ATOM 1301 O PRO A 81 -9.402 30.763 -14.191 1.00 0.00 O ATOM 1302 CB PRO A 81 -10.939 30.096 -16.397 1.00 0.00 C ATOM 1303 CG PRO A 81 -12.374 30.488 -16.081 1.00 0.00 C ATOM 1304 CD PRO A 81 -12.947 29.440 -15.142 1.00 0.00 C ATOM 0 HA PRO A 81 -9.968 28.247 -15.846 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.274 30.956 -16.324 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.854 29.712 -17.414 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -12.407 31.474 -15.618 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -12.964 30.545 -16.995 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.325 29.894 -14.226 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -13.780 28.909 -15.602 1.00 0.00 H new ATOM 1312 N GLN A 82 -9.279 28.658 -13.375 1.00 0.00 N ATOM 1313 CA GLN A 82 -8.438 29.025 -12.249 1.00 0.00 C ATOM 1314 C GLN A 82 -7.816 27.775 -11.621 1.00 0.00 C ATOM 1315 O GLN A 82 -7.676 27.693 -10.402 1.00 0.00 O ATOM 1316 CB GLN A 82 -9.229 29.824 -11.211 1.00 0.00 C ATOM 1317 CG GLN A 82 -10.317 28.961 -10.568 1.00 0.00 C ATOM 1318 CD GLN A 82 -11.022 29.719 -9.441 1.00 0.00 C ATOM 1319 OE1 GLN A 82 -12.029 30.379 -9.638 1.00 0.00 O ATOM 1320 NE2 GLN A 82 -10.440 29.587 -8.253 1.00 0.00 N ATOM 0 H GLN A 82 -9.516 27.667 -13.425 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.633 29.663 -12.615 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.553 30.197 -10.441 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.683 30.694 -11.685 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.045 28.665 -11.323 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -9.875 28.045 -10.175 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.598 29.019 -8.158 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -10.835 30.054 -7.437 1.00 0.00 H new ATOM 1329 N SER A 83 -7.461 26.834 -12.483 1.00 0.00 N ATOM 1330 CA SER A 83 -6.858 25.592 -12.028 1.00 0.00 C ATOM 1331 C SER A 83 -5.374 25.812 -11.724 1.00 0.00 C ATOM 1332 O SER A 83 -4.815 25.162 -10.842 1.00 0.00 O ATOM 1333 CB SER A 83 -7.028 24.484 -13.068 1.00 0.00 C ATOM 1334 OG SER A 83 -6.020 23.484 -12.953 1.00 0.00 O ATOM 0 H SER A 83 -7.579 26.906 -13.494 1.00 0.00 H new ATOM 0 HA SER A 83 -7.367 25.278 -11.117 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.009 24.024 -12.951 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.996 24.917 -14.068 1.00 0.00 H new ATOM 0 HG SER A 83 -6.379 22.712 -12.468 1.00 0.00 H new ATOM 1340 N GLU A 84 -4.780 26.730 -12.473 1.00 0.00 N ATOM 1341 CA GLU A 84 -3.372 27.043 -12.295 1.00 0.00 C ATOM 1342 C GLU A 84 -3.189 28.027 -11.137 1.00 0.00 C ATOM 1343 O GLU A 84 -2.190 27.971 -10.422 1.00 0.00 O ATOM 1344 CB GLU A 84 -2.766 27.596 -13.586 1.00 0.00 C ATOM 1345 CG GLU A 84 -3.425 28.921 -13.977 1.00 0.00 C ATOM 1346 CD GLU A 84 -2.545 30.108 -13.582 1.00 0.00 C ATOM 1347 OE1 GLU A 84 -1.563 30.356 -14.315 1.00 0.00 O ATOM 1348 OE2 GLU A 84 -2.874 30.742 -12.556 1.00 0.00 O ATOM 0 H GLU A 84 -5.248 27.267 -13.204 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.843 26.122 -12.050 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.694 27.744 -13.455 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.892 26.872 -14.391 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.605 28.939 -15.052 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.396 29.006 -13.490 1.00 0.00 H new ATOM 1355 N ASP A 85 -4.170 28.905 -10.989 1.00 0.00 N ATOM 1356 CA ASP A 85 -4.130 29.900 -9.931 1.00 0.00 C ATOM 1357 C ASP A 85 -4.175 29.196 -8.573 1.00 0.00 C ATOM 1358 O ASP A 85 -3.302 29.406 -7.732 1.00 0.00 O ATOM 1359 CB ASP A 85 -5.332 30.842 -10.015 1.00 0.00 C ATOM 1360 CG ASP A 85 -5.130 32.209 -9.358 1.00 0.00 C ATOM 1361 OD1 ASP A 85 -5.334 32.283 -8.127 1.00 0.00 O ATOM 1362 OD2 ASP A 85 -4.775 33.149 -10.102 1.00 0.00 O ATOM 0 H ASP A 85 -4.997 28.948 -11.584 1.00 0.00 H new ATOM 0 HA ASP A 85 -3.212 30.476 -10.045 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.583 30.994 -11.065 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.189 30.355 -9.550 1.00 0.00 H new ATOM 1367 N MET A 86 -5.201 28.376 -8.401 1.00 0.00 N ATOM 1368 CA MET A 86 -5.371 27.640 -7.160 1.00 0.00 C ATOM 1369 C MET A 86 -4.198 26.685 -6.924 1.00 0.00 C ATOM 1370 O MET A 86 -4.052 26.134 -5.834 1.00 0.00 O ATOM 1371 CB MET A 86 -6.675 26.843 -7.213 1.00 0.00 C ATOM 1372 CG MET A 86 -6.563 25.673 -8.193 1.00 0.00 C ATOM 1373 SD MET A 86 -8.190 25.160 -8.721 1.00 0.00 S ATOM 1374 CE MET A 86 -8.202 23.485 -8.104 1.00 0.00 C ATOM 0 H MET A 86 -5.923 28.205 -9.101 1.00 0.00 H new ATOM 0 HA MET A 86 -5.405 28.355 -6.338 1.00 0.00 H new ATOM 0 HB2 MET A 86 -6.916 26.467 -6.219 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.493 27.497 -7.514 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.967 25.968 -9.057 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.046 24.839 -7.719 1.00 0.00 H new ATOM 0 HE1 MET A 86 -9.154 23.014 -8.349 1.00 0.00 H new ATOM 0 HE2 MET A 86 -7.389 22.922 -8.563 1.00 0.00 H new ATOM 0 HE3 MET A 86 -8.070 23.495 -7.022 1.00 0.00 H new ATOM 1384 N PHE A 87 -3.393 26.519 -7.963 1.00 0.00 N ATOM 1385 CA PHE A 87 -2.238 25.641 -7.882 1.00 0.00 C ATOM 1386 C PHE A 87 -0.966 26.366 -8.326 1.00 0.00 C ATOM 1387 O PHE A 87 -0.051 25.746 -8.865 1.00 0.00 O ATOM 1388 CB PHE A 87 -2.501 24.469 -8.829 1.00 0.00 C ATOM 1389 CG PHE A 87 -2.263 23.095 -8.200 1.00 0.00 C ATOM 1390 CD1 PHE A 87 -2.748 22.822 -6.959 1.00 0.00 C ATOM 1391 CD2 PHE A 87 -1.566 22.146 -8.881 1.00 0.00 C ATOM 1392 CE1 PHE A 87 -2.527 21.546 -6.375 1.00 0.00 C ATOM 1393 CE2 PHE A 87 -1.345 20.871 -8.297 1.00 0.00 C ATOM 1394 CZ PHE A 87 -1.830 20.598 -7.057 1.00 0.00 C ATOM 0 H PHE A 87 -3.518 26.978 -8.866 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.094 25.309 -6.854 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.532 24.523 -9.180 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -1.860 24.572 -9.705 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.301 23.575 -6.418 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.181 22.363 -9.866 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.912 21.329 -5.390 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.791 20.118 -8.838 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.662 19.628 -6.613 1.00 0.00 H new