USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 753 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 67 TYR OH : rot 164:sc= 0.99 USER MOD Set 1.2: A 93 LYS NZ :NH3+ -176:sc= -3.62! (180deg=-3.52!) USER MOD Set 2.1: A 86 ASN : amide:sc= -0.991 K(o=-0.44,f=-9.9!) USER MOD Set 2.2: A 89 SER OG : rot -21:sc= 0.546 USER MOD Set 3.1: A 82 GLN : amide:sc= -1.79! K(o=-1.8!,f=-1.1) USER MOD Set 3.2: A 84 GLN : amide:sc= 0 X(o=-1.8,f=-2!) USER MOD Set 4.1: A 26 GLN : amide:sc= -1.71! K(o=-8.3!,f=-2) USER MOD Set 4.2: A 63 GLN : amide:sc= -6.62! K(o=-8.3!,f=-1.3) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 164:sc= -0.0103 (180deg=-0.334) USER MOD Single : A 14 ASN : amide:sc= -4.79! C(o=-4.8!,f=-4.3!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 19 ASN : amide:sc= -5.81! C(o=-5.8!,f=-13!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -160:sc= -0.995 (180deg=-1.88!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 45 THR OG1 : rot -89:sc= 0.115 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0929 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0473 K(o=-0.047,f=-2!) USER MOD Single : A 66 SER OG : rot 180:sc= -0.8 USER MOD Single : A 71 SER OG : rot -66:sc= 1.16 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -1.75! C(o=-1.8!,f=-2.8!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -1.31 K(o=-1.3,f=-0.24) USER MOD Single : A 90 SER OG : rot 180:sc= -0.664 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N PRO A 3 -7.176 11.258 -12.718 1.00 0.00 N ATOM 36 CA PRO A 3 -7.526 10.342 -11.597 1.00 0.00 C ATOM 37 C PRO A 3 -7.775 11.096 -10.287 1.00 0.00 C ATOM 38 O PRO A 3 -7.396 12.240 -10.133 1.00 0.00 O ATOM 39 CB PRO A 3 -6.312 9.410 -11.500 1.00 0.00 C ATOM 40 CG PRO A 3 -5.152 10.220 -11.991 1.00 0.00 C ATOM 41 CD PRO A 3 -5.720 11.248 -12.989 1.00 0.00 C ATOM 0 HA PRO A 3 -8.457 9.804 -11.776 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.153 9.077 -10.474 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.453 8.516 -12.108 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -4.652 10.721 -11.162 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -4.411 9.582 -12.472 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -5.281 12.234 -12.837 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -5.509 10.960 -14.019 1.00 0.00 H new ATOM 49 N GLN A 4 -8.418 10.463 -9.346 1.00 0.00 N ATOM 50 CA GLN A 4 -8.696 11.140 -8.051 1.00 0.00 C ATOM 51 C GLN A 4 -7.419 11.166 -7.208 1.00 0.00 C ATOM 52 O GLN A 4 -6.875 10.134 -6.856 1.00 0.00 O ATOM 53 CB GLN A 4 -9.789 10.368 -7.315 1.00 0.00 C ATOM 54 CG GLN A 4 -11.102 10.508 -8.087 1.00 0.00 C ATOM 55 CD GLN A 4 -12.184 9.661 -7.421 1.00 0.00 C ATOM 56 OE1 GLN A 4 -12.075 8.453 -7.360 1.00 0.00 O ATOM 57 NE2 GLN A 4 -13.236 10.247 -6.918 1.00 0.00 N ATOM 0 H GLN A 4 -8.763 9.506 -9.419 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.027 12.163 -8.227 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.514 9.317 -7.227 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.905 10.753 -6.302 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.410 11.553 -8.113 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.963 10.191 -9.120 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -13.328 11.262 -6.969 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.966 9.690 -6.474 1.00 0.00 H new ATOM 66 N LEU A 5 -6.930 12.339 -6.884 1.00 0.00 N ATOM 67 CA LEU A 5 -5.682 12.443 -6.073 1.00 0.00 C ATOM 68 C LEU A 5 -6.043 12.553 -4.592 1.00 0.00 C ATOM 69 O LEU A 5 -6.843 13.379 -4.197 1.00 0.00 O ATOM 70 CB LEU A 5 -4.911 13.691 -6.498 1.00 0.00 C ATOM 71 CG LEU A 5 -4.640 13.640 -8.007 1.00 0.00 C ATOM 72 CD1 LEU A 5 -3.880 14.900 -8.428 1.00 0.00 C ATOM 73 CD2 LEU A 5 -3.810 12.390 -8.356 1.00 0.00 C ATOM 0 H LEU A 5 -7.346 13.232 -7.149 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.068 11.557 -6.232 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.483 14.586 -6.251 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.970 13.753 -5.951 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.589 13.590 -8.540 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.686 14.867 -9.500 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.478 15.781 -8.195 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.934 14.951 -7.889 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.624 12.365 -9.430 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.859 12.424 -7.824 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.359 11.495 -8.062 1.00 0.00 H new ATOM 85 N THR A 6 -5.454 11.719 -3.774 1.00 0.00 N ATOM 86 CA THR A 6 -5.740 11.745 -2.306 1.00 0.00 C ATOM 87 C THR A 6 -4.423 11.832 -1.538 1.00 0.00 C ATOM 88 O THR A 6 -3.395 11.372 -1.992 1.00 0.00 O ATOM 89 CB THR A 6 -6.488 10.472 -1.910 1.00 0.00 C ATOM 90 OG1 THR A 6 -7.698 10.399 -2.649 1.00 0.00 O ATOM 91 CG2 THR A 6 -6.802 10.514 -0.415 1.00 0.00 C ATOM 0 H THR A 6 -4.778 11.012 -4.064 1.00 0.00 H new ATOM 0 HA THR A 6 -6.356 12.611 -2.066 1.00 0.00 H new ATOM 0 HB THR A 6 -5.874 9.598 -2.125 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.183 9.584 -2.402 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.336 9.607 -0.130 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.872 10.581 0.150 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.422 11.384 -0.198 1.00 0.00 H new ATOM 99 N LYS A 7 -4.443 12.436 -0.378 1.00 0.00 N ATOM 100 CA LYS A 7 -3.194 12.579 0.424 1.00 0.00 C ATOM 101 C LYS A 7 -3.120 11.480 1.484 1.00 0.00 C ATOM 102 O LYS A 7 -4.121 11.024 1.997 1.00 0.00 O ATOM 103 CB LYS A 7 -3.213 13.940 1.120 1.00 0.00 C ATOM 104 CG LYS A 7 -3.134 15.053 0.074 1.00 0.00 C ATOM 105 CD LYS A 7 -3.150 16.414 0.772 1.00 0.00 C ATOM 106 CE LYS A 7 -2.983 17.524 -0.269 1.00 0.00 C ATOM 107 NZ LYS A 7 -4.169 17.540 -1.172 1.00 0.00 N ATOM 0 H LYS A 7 -5.277 12.838 0.050 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.329 12.498 -0.235 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.124 14.045 1.710 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.374 14.017 1.812 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.224 14.947 -0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.974 14.977 -0.617 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.087 16.546 1.313 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.347 16.467 1.507 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.877 18.489 0.226 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.074 17.361 -0.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.195 18.439 -1.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.104 16.750 -1.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.037 17.443 -0.607 1.00 0.00 H new ATOM 121 N ILE A 8 -1.937 11.038 1.795 1.00 0.00 N ATOM 122 CA ILE A 8 -1.771 9.948 2.800 1.00 0.00 C ATOM 123 C ILE A 8 -2.434 10.376 4.112 1.00 0.00 C ATOM 124 O ILE A 8 -3.109 9.604 4.763 1.00 0.00 O ATOM 125 CB ILE A 8 -0.274 9.734 3.048 1.00 0.00 C ATOM 126 CG1 ILE A 8 0.386 9.170 1.783 1.00 0.00 C ATOM 127 CG2 ILE A 8 -0.073 8.747 4.203 1.00 0.00 C ATOM 128 CD1 ILE A 8 1.912 9.288 1.893 1.00 0.00 C ATOM 0 H ILE A 8 -1.067 11.387 1.393 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.228 9.028 2.435 1.00 0.00 H new ATOM 0 HB ILE A 8 0.182 10.691 3.303 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.102 8.126 1.649 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.033 9.712 0.906 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.993 8.599 4.374 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -0.534 9.146 5.107 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.536 7.793 3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.374 8.886 0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.189 10.336 2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.259 8.726 2.760 1.00 0.00 H new ATOM 140 N VAL A 9 -2.246 11.604 4.494 1.00 0.00 N ATOM 141 CA VAL A 9 -2.864 12.099 5.758 1.00 0.00 C ATOM 142 C VAL A 9 -4.394 12.051 5.631 1.00 0.00 C ATOM 143 O VAL A 9 -5.114 12.259 6.588 1.00 0.00 O ATOM 144 CB VAL A 9 -2.409 13.542 6.010 1.00 0.00 C ATOM 145 CG1 VAL A 9 -3.059 14.481 4.984 1.00 0.00 C ATOM 146 CG2 VAL A 9 -2.811 13.968 7.426 1.00 0.00 C ATOM 0 H VAL A 9 -1.690 12.292 3.986 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.553 11.470 6.592 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.325 13.598 5.909 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.732 15.504 5.169 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.764 14.181 3.978 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.144 14.425 5.076 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.487 14.993 7.603 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.894 13.907 7.531 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.338 13.307 8.153 1.00 0.00 H new ATOM 156 N ASP A 10 -4.894 11.784 4.449 1.00 0.00 N ATOM 157 CA ASP A 10 -6.374 11.724 4.239 1.00 0.00 C ATOM 158 C ASP A 10 -6.822 10.259 4.230 1.00 0.00 C ATOM 159 O ASP A 10 -7.974 9.951 3.998 1.00 0.00 O ATOM 160 CB ASP A 10 -6.713 12.373 2.893 1.00 0.00 C ATOM 161 CG ASP A 10 -8.228 12.551 2.766 1.00 0.00 C ATOM 162 OD1 ASP A 10 -8.937 12.075 3.635 1.00 0.00 O ATOM 163 OD2 ASP A 10 -8.652 13.167 1.802 1.00 0.00 O ATOM 0 H ASP A 10 -4.336 11.604 3.615 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.887 12.255 5.041 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.217 13.340 2.811 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.341 11.753 2.077 1.00 0.00 H new ATOM 168 N ILE A 11 -5.918 9.351 4.485 1.00 0.00 N ATOM 169 CA ILE A 11 -6.288 7.906 4.495 1.00 0.00 C ATOM 170 C ILE A 11 -6.781 7.510 5.889 1.00 0.00 C ATOM 171 O ILE A 11 -6.057 7.585 6.862 1.00 0.00 O ATOM 172 CB ILE A 11 -5.059 7.062 4.127 1.00 0.00 C ATOM 173 CG1 ILE A 11 -4.677 7.329 2.664 1.00 0.00 C ATOM 174 CG2 ILE A 11 -5.372 5.574 4.317 1.00 0.00 C ATOM 175 CD1 ILE A 11 -3.335 6.667 2.346 1.00 0.00 C ATOM 0 H ILE A 11 -4.938 9.548 4.687 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.082 7.731 3.769 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.227 7.335 4.776 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.450 6.941 2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.614 8.402 2.486 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.496 4.981 4.054 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.637 5.388 5.358 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.206 5.293 3.674 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.071 6.861 1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.564 7.076 2.999 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.413 5.592 2.506 1.00 0.00 H new ATOM 187 N VAL A 12 -8.007 7.070 5.990 1.00 0.00 N ATOM 188 CA VAL A 12 -8.543 6.647 7.316 1.00 0.00 C ATOM 189 C VAL A 12 -9.564 5.523 7.118 1.00 0.00 C ATOM 190 O VAL A 12 -10.212 5.097 8.054 1.00 0.00 O ATOM 191 CB VAL A 12 -9.200 7.836 8.020 1.00 0.00 C ATOM 192 CG1 VAL A 12 -8.143 8.910 8.274 1.00 0.00 C ATOM 193 CG2 VAL A 12 -10.313 8.414 7.143 1.00 0.00 C ATOM 0 H VAL A 12 -8.660 6.985 5.211 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.724 6.284 7.937 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.630 7.505 8.966 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.603 9.762 8.776 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.353 8.501 8.904 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.718 9.235 7.324 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.775 9.260 7.652 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.893 8.747 6.194 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.065 7.647 6.957 1.00 0.00 H new ATOM 203 N GLU A 13 -9.708 5.033 5.904 1.00 0.00 N ATOM 204 CA GLU A 13 -10.683 3.925 5.635 1.00 0.00 C ATOM 205 C GLU A 13 -9.983 2.824 4.830 1.00 0.00 C ATOM 206 O GLU A 13 -9.349 3.080 3.824 1.00 0.00 O ATOM 207 CB GLU A 13 -11.878 4.477 4.842 1.00 0.00 C ATOM 208 CG GLU A 13 -13.082 3.542 4.995 1.00 0.00 C ATOM 209 CD GLU A 13 -12.766 2.204 4.328 1.00 0.00 C ATOM 210 OE1 GLU A 13 -12.152 2.224 3.275 1.00 0.00 O ATOM 211 OE2 GLU A 13 -13.136 1.185 4.885 1.00 0.00 O ATOM 0 H GLU A 13 -9.190 5.355 5.087 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.042 3.510 6.577 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.133 5.474 5.200 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.613 4.574 3.789 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.309 3.391 6.050 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.965 3.989 4.540 1.00 0.00 H new ATOM 218 N ASN A 14 -10.086 1.599 5.274 1.00 0.00 N ATOM 219 CA ASN A 14 -9.420 0.472 4.553 1.00 0.00 C ATOM 220 C ASN A 14 -10.345 -0.085 3.470 1.00 0.00 C ATOM 221 O ASN A 14 -11.554 -0.040 3.584 1.00 0.00 O ATOM 222 CB ASN A 14 -9.072 -0.636 5.552 1.00 0.00 C ATOM 223 CG ASN A 14 -10.344 -1.144 6.233 1.00 0.00 C ATOM 224 OD1 ASN A 14 -11.440 -0.854 5.798 1.00 0.00 O ATOM 225 ND2 ASN A 14 -10.240 -1.894 7.295 1.00 0.00 N ATOM 0 H ASN A 14 -10.605 1.328 6.109 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.509 0.841 4.081 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.572 -1.457 5.038 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.376 -0.257 6.300 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -11.080 -2.238 7.761 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.319 -2.137 7.660 1.00 0.00 H new ATOM 232 N GLY A 15 -9.782 -0.612 2.414 1.00 0.00 N ATOM 233 CA GLY A 15 -10.624 -1.171 1.321 1.00 0.00 C ATOM 234 C GLY A 15 -11.151 -0.028 0.456 1.00 0.00 C ATOM 235 O GLY A 15 -12.082 -0.190 -0.307 1.00 0.00 O ATOM 0 H GLY A 15 -8.775 -0.678 2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.040 -1.863 0.714 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.455 -1.738 1.740 1.00 0.00 H new ATOM 239 N GLN A 16 -10.560 1.133 0.572 1.00 0.00 N ATOM 240 CA GLN A 16 -11.022 2.300 -0.241 1.00 0.00 C ATOM 241 C GLN A 16 -10.211 2.388 -1.535 1.00 0.00 C ATOM 242 O GLN A 16 -9.031 2.093 -1.565 1.00 0.00 O ATOM 243 CB GLN A 16 -10.840 3.588 0.566 1.00 0.00 C ATOM 244 CG GLN A 16 -11.258 4.788 -0.286 1.00 0.00 C ATOM 245 CD GLN A 16 -11.294 6.041 0.587 1.00 0.00 C ATOM 246 OE1 GLN A 16 -12.021 6.098 1.559 1.00 0.00 O ATOM 247 NE2 GLN A 16 -10.521 7.047 0.290 1.00 0.00 N ATOM 0 H GLN A 16 -9.776 1.325 1.196 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.076 2.170 -0.488 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.440 3.548 1.475 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.800 3.692 0.875 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.557 4.925 -1.110 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.239 4.611 -0.728 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.911 6.998 -0.526 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.526 7.883 0.874 1.00 0.00 H new ATOM 256 N TRP A 17 -10.844 2.794 -2.607 1.00 0.00 N ATOM 257 CA TRP A 17 -10.136 2.913 -3.917 1.00 0.00 C ATOM 258 C TRP A 17 -9.759 4.376 -4.165 1.00 0.00 C ATOM 259 O TRP A 17 -10.581 5.265 -4.068 1.00 0.00 O ATOM 260 CB TRP A 17 -11.069 2.429 -5.031 1.00 0.00 C ATOM 261 CG TRP A 17 -11.250 0.949 -4.915 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.307 0.336 -4.334 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.365 -0.110 -5.380 1.00 0.00 C ATOM 264 NE1 TRP A 17 -12.126 -1.034 -4.413 1.00 0.00 N ATOM 265 CE2 TRP A 17 -10.944 -1.358 -5.050 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.129 -0.108 -6.049 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -10.318 -2.563 -5.373 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -8.496 -1.318 -6.377 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.089 -2.543 -6.039 1.00 0.00 C ATOM 0 H TRP A 17 -11.831 3.050 -2.630 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.230 2.307 -3.904 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.033 2.932 -4.958 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -10.652 2.681 -6.006 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -13.153 0.834 -3.883 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -12.785 -1.720 -4.046 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -8.663 0.830 -6.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -10.779 -3.503 -5.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -7.547 -1.305 -6.893 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -8.597 -3.470 -6.293 1.00 0.00 H new ATOM 280 N ALA A 18 -8.523 4.627 -4.498 1.00 0.00 N ATOM 281 CA ALA A 18 -8.091 6.029 -4.771 1.00 0.00 C ATOM 282 C ALA A 18 -6.806 6.025 -5.603 1.00 0.00 C ATOM 283 O ALA A 18 -6.280 4.983 -5.946 1.00 0.00 O ATOM 284 CB ALA A 18 -7.847 6.758 -3.451 1.00 0.00 C ATOM 0 H ALA A 18 -7.792 3.922 -4.593 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.875 6.543 -5.327 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.532 7.782 -3.654 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.767 6.771 -2.867 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.068 6.243 -2.889 1.00 0.00 H new ATOM 290 N ASN A 19 -6.289 7.189 -5.918 1.00 0.00 N ATOM 291 CA ASN A 19 -5.026 7.266 -6.717 1.00 0.00 C ATOM 292 C ASN A 19 -4.151 8.388 -6.164 1.00 0.00 C ATOM 293 O ASN A 19 -4.645 9.393 -5.703 1.00 0.00 O ATOM 294 CB ASN A 19 -5.367 7.568 -8.175 1.00 0.00 C ATOM 295 CG ASN A 19 -6.258 6.458 -8.724 1.00 0.00 C ATOM 296 OD1 ASN A 19 -6.177 5.328 -8.284 1.00 0.00 O ATOM 297 ND2 ASN A 19 -7.108 6.731 -9.671 1.00 0.00 N ATOM 0 H ASN A 19 -6.688 8.090 -5.655 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.494 6.317 -6.654 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.876 8.529 -8.250 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.454 7.643 -8.766 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.708 5.996 -10.045 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.174 7.680 -10.039 1.00 0.00 H new ATOM 304 N LEU A 20 -2.857 8.222 -6.191 1.00 0.00 N ATOM 305 CA LEU A 20 -1.964 9.286 -5.658 1.00 0.00 C ATOM 306 C LEU A 20 -0.552 9.126 -6.220 1.00 0.00 C ATOM 307 O LEU A 20 -0.160 8.059 -6.646 1.00 0.00 O ATOM 308 CB LEU A 20 -1.913 9.176 -4.137 1.00 0.00 C ATOM 309 CG LEU A 20 -1.264 7.825 -3.711 1.00 0.00 C ATOM 310 CD1 LEU A 20 0.186 8.043 -3.254 1.00 0.00 C ATOM 311 CD2 LEU A 20 -2.057 7.199 -2.554 1.00 0.00 C ATOM 0 H LEU A 20 -2.382 7.398 -6.558 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.354 10.260 -5.954 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.341 10.007 -3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.920 9.248 -3.727 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.277 7.158 -4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.622 7.088 -2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.765 8.470 -4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.201 8.725 -2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.595 6.255 -2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.057 7.880 -1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.083 7.017 -2.873 1.00 0.00 H new ATOM 323 N LYS A 21 0.220 10.183 -6.206 1.00 0.00 N ATOM 324 CA LYS A 21 1.622 10.112 -6.720 1.00 0.00 C ATOM 325 C LYS A 21 2.582 9.993 -5.536 1.00 0.00 C ATOM 326 O LYS A 21 2.404 10.633 -4.517 1.00 0.00 O ATOM 327 CB LYS A 21 1.934 11.392 -7.494 1.00 0.00 C ATOM 328 CG LYS A 21 3.344 11.301 -8.085 1.00 0.00 C ATOM 329 CD LYS A 21 3.617 12.523 -8.971 1.00 0.00 C ATOM 330 CE LYS A 21 3.641 13.798 -8.122 1.00 0.00 C ATOM 331 NZ LYS A 21 4.370 14.867 -8.860 1.00 0.00 N ATOM 0 H LYS A 21 -0.063 11.099 -5.858 1.00 0.00 H new ATOM 0 HA LYS A 21 1.735 9.248 -7.375 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.203 11.536 -8.290 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.860 12.256 -6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.081 11.250 -7.284 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.445 10.387 -8.670 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.570 12.402 -9.486 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.848 12.603 -9.739 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.624 14.121 -7.902 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.128 13.603 -7.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.388 15.734 -8.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.344 14.556 -9.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.887 15.058 -9.761 1.00 0.00 H new ATOM 345 N ALA A 22 3.599 9.178 -5.656 1.00 0.00 N ATOM 346 CA ALA A 22 4.560 9.024 -4.523 1.00 0.00 C ATOM 347 C ALA A 22 5.944 8.607 -5.033 1.00 0.00 C ATOM 348 O ALA A 22 6.098 8.066 -6.110 1.00 0.00 O ATOM 349 CB ALA A 22 4.027 7.973 -3.539 1.00 0.00 C ATOM 0 H ALA A 22 3.804 8.617 -6.483 1.00 0.00 H new ATOM 0 HA ALA A 22 4.659 9.984 -4.016 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.728 7.860 -2.712 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.059 8.293 -3.153 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.915 7.018 -4.052 1.00 0.00 H new ATOM 355 N LYS A 23 6.946 8.879 -4.240 1.00 0.00 N ATOM 356 CA LYS A 23 8.352 8.529 -4.624 1.00 0.00 C ATOM 357 C LYS A 23 8.796 7.283 -3.864 1.00 0.00 C ATOM 358 O LYS A 23 8.295 6.986 -2.802 1.00 0.00 O ATOM 359 CB LYS A 23 9.279 9.702 -4.302 1.00 0.00 C ATOM 360 CG LYS A 23 10.723 9.331 -4.653 1.00 0.00 C ATOM 361 CD LYS A 23 11.616 10.547 -4.427 1.00 0.00 C ATOM 362 CE LYS A 23 13.057 10.197 -4.788 1.00 0.00 C ATOM 363 NZ LYS A 23 13.589 9.219 -3.796 1.00 0.00 N ATOM 0 H LYS A 23 6.853 9.334 -3.332 1.00 0.00 H new ATOM 0 HA LYS A 23 8.397 8.325 -5.694 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.973 10.584 -4.864 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.206 9.956 -3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.058 8.497 -4.036 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.786 9.005 -5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.271 11.383 -5.035 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.558 10.865 -3.386 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.100 9.775 -5.792 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.672 11.097 -4.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.629 9.232 -3.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.261 9.477 -2.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.249 8.265 -4.033 1.00 0.00 H new ATOM 377 N VAL A 24 9.726 6.536 -4.406 1.00 0.00 N ATOM 378 CA VAL A 24 10.187 5.298 -3.712 1.00 0.00 C ATOM 379 C VAL A 24 11.465 5.583 -2.920 1.00 0.00 C ATOM 380 O VAL A 24 12.518 5.813 -3.483 1.00 0.00 O ATOM 381 CB VAL A 24 10.468 4.225 -4.760 1.00 0.00 C ATOM 382 CG1 VAL A 24 10.983 2.960 -4.076 1.00 0.00 C ATOM 383 CG2 VAL A 24 9.175 3.906 -5.510 1.00 0.00 C ATOM 0 H VAL A 24 10.184 6.731 -5.297 1.00 0.00 H new ATOM 0 HA VAL A 24 9.415 4.958 -3.022 1.00 0.00 H new ATOM 0 HB VAL A 24 11.221 4.588 -5.460 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.183 2.196 -4.827 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.902 3.187 -3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.232 2.593 -3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.369 3.140 -6.260 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.426 3.543 -4.806 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.806 4.808 -5.999 1.00 0.00 H new ATOM 393 N ILE A 25 11.376 5.573 -1.615 1.00 0.00 N ATOM 394 CA ILE A 25 12.581 5.844 -0.770 1.00 0.00 C ATOM 395 C ILE A 25 13.293 4.532 -0.431 1.00 0.00 C ATOM 396 O ILE A 25 14.463 4.519 -0.107 1.00 0.00 O ATOM 397 CB ILE A 25 12.147 6.530 0.519 1.00 0.00 C ATOM 398 CG1 ILE A 25 10.971 5.768 1.128 1.00 0.00 C ATOM 399 CG2 ILE A 25 11.726 7.968 0.213 1.00 0.00 C ATOM 400 CD1 ILE A 25 10.715 6.287 2.541 1.00 0.00 C ATOM 0 H ILE A 25 10.518 5.388 -1.095 1.00 0.00 H new ATOM 0 HA ILE A 25 13.266 6.488 -1.321 1.00 0.00 H new ATOM 0 HB ILE A 25 12.977 6.540 1.226 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.080 5.898 0.513 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.188 4.700 1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.415 8.460 1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.567 8.509 -0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.895 7.962 -0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.877 5.747 2.981 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.605 6.135 3.151 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.480 7.351 2.501 1.00 0.00 H new ATOM 412 N GLN A 26 12.604 3.426 -0.513 1.00 0.00 N ATOM 413 CA GLN A 26 13.256 2.125 -0.208 1.00 0.00 C ATOM 414 C GLN A 26 12.406 0.983 -0.777 1.00 0.00 C ATOM 415 O GLN A 26 11.202 1.102 -0.912 1.00 0.00 O ATOM 416 CB GLN A 26 13.383 1.970 1.304 1.00 0.00 C ATOM 417 CG GLN A 26 14.177 0.705 1.635 1.00 0.00 C ATOM 418 CD GLN A 26 15.612 0.845 1.119 1.00 0.00 C ATOM 419 OE1 GLN A 26 16.197 1.906 1.203 1.00 0.00 O ATOM 420 NE2 GLN A 26 16.207 -0.186 0.583 1.00 0.00 N ATOM 0 H GLN A 26 11.621 3.369 -0.777 1.00 0.00 H new ATOM 0 HA GLN A 26 14.247 2.094 -0.660 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.881 2.843 1.727 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.393 1.917 1.757 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.182 0.539 2.712 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.700 -0.164 1.181 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.717 -1.078 0.512 1.00 0.00 H new ATOM 0 HE22 GLN A 26 17.162 -0.100 0.235 1.00 0.00 H new ATOM 429 N LEU A 27 13.027 -0.128 -1.093 1.00 0.00 N ATOM 430 CA LEU A 27 12.280 -1.304 -1.644 1.00 0.00 C ATOM 431 C LEU A 27 12.691 -2.576 -0.902 1.00 0.00 C ATOM 432 O LEU A 27 13.757 -2.659 -0.323 1.00 0.00 O ATOM 433 CB LEU A 27 12.596 -1.466 -3.130 1.00 0.00 C ATOM 434 CG LEU A 27 11.999 -0.294 -3.923 1.00 0.00 C ATOM 435 CD1 LEU A 27 12.421 -0.416 -5.394 1.00 0.00 C ATOM 436 CD2 LEU A 27 10.453 -0.298 -3.805 1.00 0.00 C ATOM 0 H LEU A 27 14.032 -0.272 -0.991 1.00 0.00 H new ATOM 0 HA LEU A 27 11.211 -1.136 -1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.675 -1.505 -3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 27 12.190 -2.409 -3.496 1.00 0.00 H new ATOM 0 HG LEU A 27 12.370 0.647 -3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.001 0.413 -5.963 1.00 0.00 H new ATOM 0 HD12 LEU A 27 13.508 -0.390 -5.464 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.054 -1.358 -5.801 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.043 0.538 -4.372 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.060 -1.234 -4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.168 -0.201 -2.757 1.00 0.00 H new ATOM 448 N TRP A 28 11.846 -3.573 -0.921 1.00 0.00 N ATOM 449 CA TRP A 28 12.160 -4.856 -0.230 1.00 0.00 C ATOM 450 C TRP A 28 11.588 -6.020 -1.044 1.00 0.00 C ATOM 451 O TRP A 28 10.397 -6.121 -1.262 1.00 0.00 O ATOM 452 CB TRP A 28 11.537 -4.843 1.173 1.00 0.00 C ATOM 453 CG TRP A 28 12.375 -3.997 2.077 1.00 0.00 C ATOM 454 CD1 TRP A 28 12.374 -2.645 2.102 1.00 0.00 C ATOM 455 CD2 TRP A 28 13.336 -4.426 3.080 1.00 0.00 C ATOM 456 NE1 TRP A 28 13.279 -2.216 3.055 1.00 0.00 N ATOM 457 CE2 TRP A 28 13.897 -3.278 3.686 1.00 0.00 C ATOM 458 CE3 TRP A 28 13.772 -5.688 3.517 1.00 0.00 C ATOM 459 CZ2 TRP A 28 14.858 -3.378 4.691 1.00 0.00 C ATOM 460 CZ3 TRP A 28 14.739 -5.794 4.530 1.00 0.00 C ATOM 461 CH2 TRP A 28 15.280 -4.641 5.115 1.00 0.00 C ATOM 0 H TRP A 28 10.941 -3.551 -1.392 1.00 0.00 H new ATOM 0 HA TRP A 28 13.240 -4.975 -0.141 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.521 -4.452 1.129 1.00 0.00 H new ATOM 0 HB3 TRP A 28 11.471 -5.858 1.564 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.766 -2.005 1.480 1.00 0.00 H new ATOM 0 HE1 TRP A 28 13.467 -1.236 3.266 1.00 0.00 H new ATOM 0 HE3 TRP A 28 13.361 -6.582 3.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 15.273 -2.487 5.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 15.067 -6.769 4.860 1.00 0.00 H new ATOM 0 HH2 TRP A 28 16.023 -4.729 5.894 1.00 0.00 H new ATOM 472 N GLU A 29 12.440 -6.895 -1.494 1.00 0.00 N ATOM 473 CA GLU A 29 11.970 -8.061 -2.296 1.00 0.00 C ATOM 474 C GLU A 29 11.518 -9.181 -1.356 1.00 0.00 C ATOM 475 O GLU A 29 12.242 -9.580 -0.465 1.00 0.00 O ATOM 476 CB GLU A 29 13.111 -8.568 -3.178 1.00 0.00 C ATOM 477 CG GLU A 29 13.414 -7.532 -4.259 1.00 0.00 C ATOM 478 CD GLU A 29 14.586 -8.014 -5.115 1.00 0.00 C ATOM 479 OE1 GLU A 29 15.058 -9.112 -4.870 1.00 0.00 O ATOM 480 OE2 GLU A 29 14.988 -7.279 -6.001 1.00 0.00 O ATOM 0 H GLU A 29 13.448 -6.854 -1.341 1.00 0.00 H new ATOM 0 HA GLU A 29 11.134 -7.754 -2.924 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.000 -8.750 -2.574 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.837 -9.518 -3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.535 -7.375 -4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.655 -6.573 -3.801 1.00 0.00 H new ATOM 558 N ILE A 35 4.133 -12.836 -1.533 1.00 0.00 N ATOM 559 CA ILE A 35 4.250 -11.362 -1.741 1.00 0.00 C ATOM 560 C ILE A 35 5.303 -11.082 -2.810 1.00 0.00 C ATOM 561 O ILE A 35 6.349 -11.698 -2.855 1.00 0.00 O ATOM 562 CB ILE A 35 4.657 -10.687 -0.435 1.00 0.00 C ATOM 563 CG1 ILE A 35 3.542 -10.874 0.597 1.00 0.00 C ATOM 564 CG2 ILE A 35 4.876 -9.193 -0.689 1.00 0.00 C ATOM 565 CD1 ILE A 35 4.037 -10.433 1.974 1.00 0.00 C ATOM 0 HA ILE A 35 3.287 -10.966 -2.064 1.00 0.00 H new ATOM 0 HB ILE A 35 5.578 -11.131 -0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.666 -10.291 0.311 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.233 -11.919 0.628 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.167 -8.705 0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.664 -9.062 -1.430 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.952 -8.748 -1.059 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.241 -10.567 2.707 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.899 -11.035 2.261 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.324 -9.382 1.938 1.00 0.00 H new ATOM 577 N SER A 36 5.021 -10.150 -3.676 1.00 0.00 N ATOM 578 CA SER A 36 5.982 -9.808 -4.759 1.00 0.00 C ATOM 579 C SER A 36 7.059 -8.862 -4.221 1.00 0.00 C ATOM 580 O SER A 36 8.229 -9.199 -4.155 1.00 0.00 O ATOM 581 CB SER A 36 5.223 -9.122 -5.898 1.00 0.00 C ATOM 582 OG SER A 36 5.988 -9.205 -7.094 1.00 0.00 O ATOM 0 H SER A 36 4.158 -9.606 -3.679 1.00 0.00 H new ATOM 0 HA SER A 36 6.459 -10.718 -5.124 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.252 -9.597 -6.041 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.033 -8.079 -5.646 1.00 0.00 H new ATOM 0 HG SER A 36 5.502 -8.768 -7.824 1.00 0.00 H new ATOM 588 N GLN A 37 6.677 -7.673 -3.835 1.00 0.00 N ATOM 589 CA GLN A 37 7.679 -6.701 -3.314 1.00 0.00 C ATOM 590 C GLN A 37 7.027 -5.779 -2.285 1.00 0.00 C ATOM 591 O GLN A 37 5.840 -5.525 -2.324 1.00 0.00 O ATOM 592 CB GLN A 37 8.203 -5.865 -4.479 1.00 0.00 C ATOM 593 CG GLN A 37 9.329 -4.959 -3.989 1.00 0.00 C ATOM 594 CD GLN A 37 9.899 -4.172 -5.168 1.00 0.00 C ATOM 595 OE1 GLN A 37 9.202 -3.396 -5.791 1.00 0.00 O ATOM 596 NE2 GLN A 37 11.147 -4.345 -5.504 1.00 0.00 N ATOM 0 H GLN A 37 5.715 -7.334 -3.858 1.00 0.00 H new ATOM 0 HA GLN A 37 8.498 -7.241 -2.838 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.566 -6.517 -5.274 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.397 -5.265 -4.902 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.954 -4.274 -3.228 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.113 -5.555 -3.523 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.731 -4.997 -4.980 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.540 -3.828 -6.291 1.00 0.00 H new ATOM 605 N VAL A 38 7.807 -5.263 -1.371 1.00 0.00 N ATOM 606 CA VAL A 38 7.262 -4.337 -0.333 1.00 0.00 C ATOM 607 C VAL A 38 8.241 -3.184 -0.145 1.00 0.00 C ATOM 608 O VAL A 38 9.381 -3.264 -0.545 1.00 0.00 O ATOM 609 CB VAL A 38 7.099 -5.091 0.995 1.00 0.00 C ATOM 610 CG1 VAL A 38 6.144 -4.316 1.907 1.00 0.00 C ATOM 611 CG2 VAL A 38 6.538 -6.491 0.722 1.00 0.00 C ATOM 0 H VAL A 38 8.808 -5.445 -1.299 1.00 0.00 H new ATOM 0 HA VAL A 38 6.291 -3.955 -0.649 1.00 0.00 H new ATOM 0 HB VAL A 38 8.068 -5.183 1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.028 -4.850 2.850 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.551 -3.323 2.100 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.173 -4.222 1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.422 -7.027 1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.568 -6.405 0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.224 -7.038 0.076 1.00 0.00 H new ATOM 621 N GLY A 39 7.821 -2.116 0.463 1.00 0.00 N ATOM 622 CA GLY A 39 8.768 -0.985 0.670 1.00 0.00 C ATOM 623 C GLY A 39 8.030 0.217 1.255 1.00 0.00 C ATOM 624 O GLY A 39 6.934 0.097 1.772 1.00 0.00 O ATOM 0 H GLY A 39 6.877 -1.974 0.823 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.571 -1.291 1.341 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.232 -0.711 -0.277 1.00 0.00 H new ATOM 628 N LEU A 40 8.631 1.377 1.165 1.00 0.00 N ATOM 629 CA LEU A 40 7.994 2.619 1.706 1.00 0.00 C ATOM 630 C LEU A 40 7.960 3.682 0.610 1.00 0.00 C ATOM 631 O LEU A 40 8.841 3.753 -0.225 1.00 0.00 O ATOM 632 CB LEU A 40 8.821 3.134 2.887 1.00 0.00 C ATOM 633 CG LEU A 40 8.977 2.022 3.931 1.00 0.00 C ATOM 634 CD1 LEU A 40 9.946 2.486 5.020 1.00 0.00 C ATOM 635 CD2 LEU A 40 7.618 1.689 4.566 1.00 0.00 C ATOM 0 H LEU A 40 9.545 1.519 0.735 1.00 0.00 H new ATOM 0 HA LEU A 40 6.979 2.401 2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.801 3.462 2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.334 4.001 3.334 1.00 0.00 H new ATOM 0 HG LEU A 40 9.365 1.128 3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.060 1.699 5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.916 2.707 4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.553 3.383 5.498 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.746 0.898 5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.216 2.578 5.052 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.927 1.355 3.792 1.00 0.00 H new ATOM 647 N LEU A 41 6.945 4.509 0.606 1.00 0.00 N ATOM 648 CA LEU A 41 6.834 5.575 -0.436 1.00 0.00 C ATOM 649 C LEU A 41 7.067 6.936 0.218 1.00 0.00 C ATOM 650 O LEU A 41 6.465 7.266 1.219 1.00 0.00 O ATOM 651 CB LEU A 41 5.432 5.532 -1.048 1.00 0.00 C ATOM 652 CG LEU A 41 5.129 4.106 -1.527 1.00 0.00 C ATOM 653 CD1 LEU A 41 3.719 4.059 -2.122 1.00 0.00 C ATOM 654 CD2 LEU A 41 6.158 3.681 -2.588 1.00 0.00 C ATOM 0 H LEU A 41 6.184 4.491 1.284 1.00 0.00 H new ATOM 0 HA LEU A 41 7.577 5.414 -1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.692 5.845 -0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.366 6.230 -1.883 1.00 0.00 H new ATOM 0 HG LEU A 41 5.189 3.420 -0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.502 3.047 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.994 4.350 -1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.657 4.747 -2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.937 2.668 -2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.109 4.363 -3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.159 3.710 -2.157 1.00 0.00 H new ATOM 666 N GLY A 42 7.942 7.725 -0.348 1.00 0.00 N ATOM 667 CA GLY A 42 8.239 9.071 0.221 1.00 0.00 C ATOM 668 C GLY A 42 7.366 10.124 -0.461 1.00 0.00 C ATOM 669 O GLY A 42 7.644 10.548 -1.568 1.00 0.00 O ATOM 0 H GLY A 42 8.469 7.491 -1.189 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.053 9.071 1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.293 9.312 0.080 1.00 0.00 H new ATOM 673 N ASP A 43 6.316 10.551 0.193 1.00 0.00 N ATOM 674 CA ASP A 43 5.413 11.588 -0.401 1.00 0.00 C ATOM 675 C ASP A 43 5.626 12.920 0.317 1.00 0.00 C ATOM 676 O ASP A 43 6.210 12.983 1.382 1.00 0.00 O ATOM 677 CB ASP A 43 3.957 11.159 -0.242 1.00 0.00 C ATOM 678 CG ASP A 43 3.060 12.080 -1.073 1.00 0.00 C ATOM 679 OD1 ASP A 43 3.586 12.766 -1.935 1.00 0.00 O ATOM 680 OD2 ASP A 43 1.864 12.086 -0.833 1.00 0.00 O ATOM 0 H ASP A 43 6.042 10.225 1.120 1.00 0.00 H new ATOM 0 HA ASP A 43 5.644 11.699 -1.460 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.834 10.125 -0.565 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.667 11.201 0.808 1.00 0.00 H new ATOM 685 N GLU A 44 5.149 13.986 -0.263 1.00 0.00 N ATOM 686 CA GLU A 44 5.304 15.327 0.363 1.00 0.00 C ATOM 687 C GLU A 44 4.408 15.430 1.599 1.00 0.00 C ATOM 688 O GLU A 44 4.605 16.276 2.451 1.00 0.00 O ATOM 689 CB GLU A 44 4.896 16.394 -0.655 1.00 0.00 C ATOM 690 CG GLU A 44 5.143 17.790 -0.076 1.00 0.00 C ATOM 691 CD GLU A 44 4.780 18.842 -1.125 1.00 0.00 C ATOM 692 OE1 GLU A 44 4.642 18.475 -2.280 1.00 0.00 O ATOM 693 OE2 GLU A 44 4.646 19.996 -0.755 1.00 0.00 O ATOM 0 H GLU A 44 4.653 13.984 -1.154 1.00 0.00 H new ATOM 0 HA GLU A 44 6.341 15.475 0.665 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.465 16.267 -1.576 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.843 16.279 -0.913 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.544 17.935 0.823 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.188 17.896 0.216 1.00 0.00 H new ATOM 700 N THR A 45 3.422 14.579 1.708 1.00 0.00 N ATOM 701 CA THR A 45 2.512 14.633 2.888 1.00 0.00 C ATOM 702 C THR A 45 3.045 13.708 3.983 1.00 0.00 C ATOM 703 O THR A 45 2.599 13.747 5.112 1.00 0.00 O ATOM 704 CB THR A 45 1.113 14.176 2.466 1.00 0.00 C ATOM 705 OG1 THR A 45 1.134 12.783 2.191 1.00 0.00 O ATOM 706 CG2 THR A 45 0.689 14.942 1.210 1.00 0.00 C ATOM 0 H THR A 45 3.208 13.848 1.029 1.00 0.00 H new ATOM 0 HA THR A 45 2.463 15.653 3.269 1.00 0.00 H new ATOM 0 HB THR A 45 0.404 14.374 3.270 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.362 12.639 1.249 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.307 14.620 0.906 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.675 16.011 1.423 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.397 14.742 0.405 1.00 0.00 H new ATOM 714 N GLY A 46 4.005 12.881 3.664 1.00 0.00 N ATOM 715 CA GLY A 46 4.571 11.962 4.696 1.00 0.00 C ATOM 716 C GLY A 46 5.070 10.679 4.032 1.00 0.00 C ATOM 717 O GLY A 46 5.548 10.691 2.915 1.00 0.00 O ATOM 0 H GLY A 46 4.421 12.802 2.736 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.390 12.452 5.222 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.811 11.725 5.440 1.00 0.00 H new ATOM 721 N ILE A 47 4.963 9.571 4.723 1.00 0.00 N ATOM 722 CA ILE A 47 5.428 8.264 4.160 1.00 0.00 C ATOM 723 C ILE A 47 4.331 7.213 4.328 1.00 0.00 C ATOM 724 O ILE A 47 3.540 7.267 5.249 1.00 0.00 O ATOM 725 CB ILE A 47 6.678 7.797 4.908 1.00 0.00 C ATOM 726 CG1 ILE A 47 7.816 8.788 4.663 1.00 0.00 C ATOM 727 CG2 ILE A 47 7.091 6.414 4.396 1.00 0.00 C ATOM 728 CD1 ILE A 47 8.975 8.476 5.611 1.00 0.00 C ATOM 0 H ILE A 47 4.570 9.515 5.662 1.00 0.00 H new ATOM 0 HA ILE A 47 5.657 8.394 3.102 1.00 0.00 H new ATOM 0 HB ILE A 47 6.464 7.742 5.975 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.151 8.725 3.628 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.466 9.808 4.823 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.982 6.080 4.928 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.280 5.706 4.566 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.306 6.470 3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.787 9.182 5.437 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.634 8.562 6.643 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.331 7.462 5.429 1.00 0.00 H new ATOM 740 N ILE A 48 4.287 6.249 3.446 1.00 0.00 N ATOM 741 CA ILE A 48 3.251 5.174 3.550 1.00 0.00 C ATOM 742 C ILE A 48 3.830 3.851 3.046 1.00 0.00 C ATOM 743 O ILE A 48 4.516 3.797 2.043 1.00 0.00 O ATOM 744 CB ILE A 48 2.021 5.565 2.726 1.00 0.00 C ATOM 745 CG1 ILE A 48 0.994 4.421 2.727 1.00 0.00 C ATOM 746 CG2 ILE A 48 2.438 5.884 1.289 1.00 0.00 C ATOM 747 CD1 ILE A 48 0.563 4.098 4.161 1.00 0.00 C ATOM 0 H ILE A 48 4.925 6.158 2.655 1.00 0.00 H new ATOM 0 HA ILE A 48 2.954 5.053 4.592 1.00 0.00 H new ATOM 0 HB ILE A 48 1.566 6.448 3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.125 4.703 2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.425 3.535 2.261 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.558 6.161 0.708 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.147 6.712 1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.906 5.006 0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.164 3.286 4.148 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.434 3.796 4.743 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.113 4.982 4.613 1.00 0.00 H new ATOM 759 N LYS A 49 3.546 2.782 3.735 1.00 0.00 N ATOM 760 CA LYS A 49 4.060 1.445 3.314 1.00 0.00 C ATOM 761 C LYS A 49 3.141 0.863 2.247 1.00 0.00 C ATOM 762 O LYS A 49 1.962 1.155 2.221 1.00 0.00 O ATOM 763 CB LYS A 49 4.088 0.512 4.526 1.00 0.00 C ATOM 764 CG LYS A 49 4.623 -0.858 4.107 1.00 0.00 C ATOM 765 CD LYS A 49 4.752 -1.751 5.338 1.00 0.00 C ATOM 766 CE LYS A 49 5.306 -3.114 4.921 1.00 0.00 C ATOM 767 NZ LYS A 49 5.462 -3.975 6.125 1.00 0.00 N ATOM 0 H LYS A 49 2.975 2.775 4.580 1.00 0.00 H new ATOM 0 HA LYS A 49 5.067 1.549 2.909 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.717 0.935 5.309 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.086 0.410 4.943 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.952 -1.316 3.381 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.592 -0.749 3.620 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.412 -1.286 6.070 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.780 -1.872 5.817 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.634 -3.588 4.206 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.267 -2.991 4.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.839 -4.902 5.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.119 -3.523 6.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.537 -4.102 6.583 1.00 0.00 H new ATOM 781 N PHE A 50 3.641 0.019 1.370 1.00 0.00 N ATOM 782 CA PHE A 50 2.760 -0.581 0.335 1.00 0.00 C ATOM 783 C PHE A 50 3.274 -1.999 0.043 1.00 0.00 C ATOM 784 O PHE A 50 4.444 -2.297 0.239 1.00 0.00 O ATOM 785 CB PHE A 50 2.816 0.264 -0.945 1.00 0.00 C ATOM 786 CG PHE A 50 4.175 0.115 -1.609 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.316 0.662 -1.009 1.00 0.00 C ATOM 788 CD2 PHE A 50 4.285 -0.562 -2.831 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.566 0.529 -1.630 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.535 -0.695 -3.448 1.00 0.00 C ATOM 791 CZ PHE A 50 6.673 -0.149 -2.850 1.00 0.00 C ATOM 0 H PHE A 50 4.617 -0.274 1.333 1.00 0.00 H new ATOM 0 HA PHE A 50 1.728 -0.615 0.685 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.030 -0.050 -1.632 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.632 1.312 -0.707 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.233 1.186 -0.068 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.406 -0.981 -3.297 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.446 0.950 -1.167 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.619 -1.221 -4.388 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.636 -0.250 -3.329 1.00 0.00 H new ATOM 801 N THR A 51 2.411 -2.870 -0.420 1.00 0.00 N ATOM 802 CA THR A 51 2.817 -4.277 -0.732 1.00 0.00 C ATOM 803 C THR A 51 2.293 -4.672 -2.117 1.00 0.00 C ATOM 804 O THR A 51 1.135 -4.482 -2.434 1.00 0.00 O ATOM 805 CB THR A 51 2.222 -5.212 0.323 1.00 0.00 C ATOM 806 OG1 THR A 51 2.810 -4.926 1.586 1.00 0.00 O ATOM 807 CG2 THR A 51 2.495 -6.667 -0.060 1.00 0.00 C ATOM 0 H THR A 51 1.428 -2.663 -0.598 1.00 0.00 H new ATOM 0 HA THR A 51 3.904 -4.354 -0.726 1.00 0.00 H new ATOM 0 HB THR A 51 1.144 -5.059 0.380 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.431 -5.521 2.266 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.069 -7.328 0.695 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.040 -6.880 -1.027 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.571 -6.832 -0.121 1.00 0.00 H new ATOM 815 N ILE A 52 3.144 -5.224 -2.944 1.00 0.00 N ATOM 816 CA ILE A 52 2.720 -5.640 -4.319 1.00 0.00 C ATOM 817 C ILE A 52 2.547 -7.157 -4.362 1.00 0.00 C ATOM 818 O ILE A 52 3.415 -7.901 -3.949 1.00 0.00 O ATOM 819 CB ILE A 52 3.798 -5.231 -5.320 1.00 0.00 C ATOM 820 CG1 ILE A 52 3.991 -3.712 -5.259 1.00 0.00 C ATOM 821 CG2 ILE A 52 3.358 -5.634 -6.727 1.00 0.00 C ATOM 822 CD1 ILE A 52 5.229 -3.301 -6.064 1.00 0.00 C ATOM 0 H ILE A 52 4.123 -5.407 -2.725 1.00 0.00 H new ATOM 0 HA ILE A 52 1.776 -5.158 -4.572 1.00 0.00 H new ATOM 0 HB ILE A 52 4.737 -5.728 -5.076 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.108 -3.210 -5.655 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.101 -3.394 -4.222 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.125 -5.344 -7.445 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.213 -6.714 -6.768 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.422 -5.132 -6.973 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.354 -2.219 -6.012 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.111 -3.789 -5.649 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.103 -3.602 -7.104 1.00 0.00 H new ATOM 834 N TRP A 53 1.424 -7.626 -4.839 1.00 0.00 N ATOM 835 CA TRP A 53 1.180 -9.096 -4.890 1.00 0.00 C ATOM 836 C TRP A 53 1.683 -9.676 -6.212 1.00 0.00 C ATOM 837 O TRP A 53 1.598 -9.054 -7.252 1.00 0.00 O ATOM 838 CB TRP A 53 -0.322 -9.342 -4.776 1.00 0.00 C ATOM 839 CG TRP A 53 -0.783 -8.927 -3.419 1.00 0.00 C ATOM 840 CD1 TRP A 53 -1.357 -7.739 -3.121 1.00 0.00 C ATOM 841 CD2 TRP A 53 -0.717 -9.675 -2.173 1.00 0.00 C ATOM 842 NE1 TRP A 53 -1.644 -7.709 -1.769 1.00 0.00 N ATOM 843 CE2 TRP A 53 -1.270 -8.881 -1.141 1.00 0.00 C ATOM 844 CE3 TRP A 53 -0.236 -10.954 -1.842 1.00 0.00 C ATOM 845 CZ2 TRP A 53 -1.341 -9.339 0.175 1.00 0.00 C ATOM 846 CZ3 TRP A 53 -0.306 -11.419 -0.520 1.00 0.00 C ATOM 847 CH2 TRP A 53 -0.859 -10.613 0.487 1.00 0.00 C ATOM 0 H TRP A 53 0.662 -7.050 -5.197 1.00 0.00 H new ATOM 0 HA TRP A 53 1.713 -9.579 -4.071 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -0.854 -8.779 -5.543 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -0.544 -10.396 -4.943 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.558 -6.944 -3.824 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.079 -6.918 -1.293 1.00 0.00 H new ATOM 0 HE3 TRP A 53 0.190 -11.582 -2.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.765 -8.714 0.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.068 -12.402 -0.276 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.912 -10.977 1.502 1.00 0.00 H new ATOM 858 N LYS A 54 2.210 -10.869 -6.172 1.00 0.00 N ATOM 859 CA LYS A 54 2.726 -11.511 -7.414 1.00 0.00 C ATOM 860 C LYS A 54 1.599 -11.611 -8.440 1.00 0.00 C ATOM 861 O LYS A 54 1.820 -11.515 -9.631 1.00 0.00 O ATOM 862 CB LYS A 54 3.218 -12.919 -7.087 1.00 0.00 C ATOM 863 CG LYS A 54 4.434 -12.850 -6.160 1.00 0.00 C ATOM 864 CD LYS A 54 5.151 -14.206 -6.149 1.00 0.00 C ATOM 865 CE LYS A 54 4.239 -15.280 -5.549 1.00 0.00 C ATOM 866 NZ LYS A 54 5.017 -16.534 -5.349 1.00 0.00 N ATOM 0 H LYS A 54 2.306 -11.430 -5.326 1.00 0.00 H new ATOM 0 HA LYS A 54 3.544 -10.913 -7.817 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.420 -13.490 -6.611 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.481 -13.443 -8.006 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.116 -12.069 -6.496 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.120 -12.585 -5.150 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.434 -14.484 -7.164 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.071 -14.135 -5.569 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.831 -14.937 -4.598 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.393 -15.465 -6.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.399 -17.265 -4.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.386 -16.863 -6.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.810 -16.351 -4.702 1.00 0.00 H new ATOM 880 N ASN A 55 0.394 -11.823 -7.988 1.00 0.00 N ATOM 881 CA ASN A 55 -0.746 -11.951 -8.936 1.00 0.00 C ATOM 882 C ASN A 55 -0.869 -10.677 -9.776 1.00 0.00 C ATOM 883 O ASN A 55 -1.660 -10.606 -10.695 1.00 0.00 O ATOM 884 CB ASN A 55 -2.035 -12.161 -8.140 1.00 0.00 C ATOM 885 CG ASN A 55 -2.035 -13.562 -7.526 1.00 0.00 C ATOM 886 OD1 ASN A 55 -1.303 -14.429 -7.963 1.00 0.00 O ATOM 887 ND2 ASN A 55 -2.828 -13.824 -6.523 1.00 0.00 N ATOM 0 H ASN A 55 0.150 -11.913 -7.002 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.575 -12.800 -9.598 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.117 -11.409 -7.355 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.901 -12.038 -8.791 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.833 -14.755 -6.107 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.443 -13.098 -6.155 1.00 0.00 H new ATOM 894 N ALA A 56 -0.084 -9.673 -9.480 1.00 0.00 N ATOM 895 CA ALA A 56 -0.151 -8.409 -10.273 1.00 0.00 C ATOM 896 C ALA A 56 0.817 -8.520 -11.460 1.00 0.00 C ATOM 897 O ALA A 56 0.572 -8.002 -12.533 1.00 0.00 O ATOM 898 CB ALA A 56 0.248 -7.229 -9.372 1.00 0.00 C ATOM 0 H ALA A 56 0.600 -9.674 -8.724 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.162 -8.246 -10.645 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.201 -6.302 -9.944 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.438 -7.168 -8.527 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.264 -7.378 -9.005 1.00 0.00 H new ATOM 904 N GLU A 57 1.912 -9.206 -11.265 1.00 0.00 N ATOM 905 CA GLU A 57 2.911 -9.376 -12.359 1.00 0.00 C ATOM 906 C GLU A 57 3.236 -8.020 -12.976 1.00 0.00 C ATOM 907 O GLU A 57 3.198 -7.856 -14.179 1.00 0.00 O ATOM 908 CB GLU A 57 2.349 -10.307 -13.433 1.00 0.00 C ATOM 909 CG GLU A 57 2.212 -11.711 -12.846 1.00 0.00 C ATOM 910 CD GLU A 57 1.589 -12.647 -13.881 1.00 0.00 C ATOM 911 OE1 GLU A 57 1.344 -12.198 -14.988 1.00 0.00 O ATOM 912 OE2 GLU A 57 1.369 -13.801 -13.549 1.00 0.00 O ATOM 0 H GLU A 57 2.159 -9.660 -10.386 1.00 0.00 H new ATOM 0 HA GLU A 57 3.821 -9.811 -11.946 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.380 -9.945 -13.776 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.008 -10.324 -14.301 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.190 -12.086 -12.545 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.593 -11.681 -11.950 1.00 0.00 H new ATOM 919 N LEU A 58 3.557 -7.043 -12.159 1.00 0.00 N ATOM 920 CA LEU A 58 3.892 -5.684 -12.690 1.00 0.00 C ATOM 921 C LEU A 58 5.418 -5.479 -12.664 1.00 0.00 C ATOM 922 O LEU A 58 6.127 -6.182 -11.973 1.00 0.00 O ATOM 923 CB LEU A 58 3.201 -4.611 -11.821 1.00 0.00 C ATOM 924 CG LEU A 58 1.929 -4.126 -12.517 1.00 0.00 C ATOM 925 CD1 LEU A 58 0.933 -5.280 -12.641 1.00 0.00 C ATOM 926 CD2 LEU A 58 1.319 -3.003 -11.697 1.00 0.00 C ATOM 0 H LEU A 58 3.601 -7.130 -11.144 1.00 0.00 H new ATOM 0 HA LEU A 58 3.540 -5.596 -13.718 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.957 -5.024 -10.842 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.878 -3.773 -11.654 1.00 0.00 H new ATOM 0 HG LEU A 58 2.171 -3.763 -13.516 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.029 -4.928 -13.138 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.379 -6.084 -13.226 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.680 -5.651 -11.648 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.410 -2.649 -12.184 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.076 -3.371 -10.700 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.032 -2.182 -11.617 1.00 0.00 H new ATOM 938 N PRO A 59 5.915 -4.500 -13.396 1.00 0.00 N ATOM 939 CA PRO A 59 7.380 -4.185 -13.435 1.00 0.00 C ATOM 940 C PRO A 59 7.932 -3.795 -12.050 1.00 0.00 C ATOM 941 O PRO A 59 7.230 -3.255 -11.218 1.00 0.00 O ATOM 942 CB PRO A 59 7.491 -2.993 -14.412 1.00 0.00 C ATOM 943 CG PRO A 59 6.210 -2.978 -15.185 1.00 0.00 C ATOM 944 CD PRO A 59 5.146 -3.594 -14.277 1.00 0.00 C ATOM 0 HA PRO A 59 7.963 -5.052 -13.746 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.633 -2.057 -13.872 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.347 -3.110 -15.076 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.938 -1.960 -15.465 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.308 -3.548 -16.109 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.619 -2.831 -13.704 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.395 -4.137 -14.852 1.00 0.00 H new ATOM 952 N LEU A 60 9.185 -4.075 -11.803 1.00 0.00 N ATOM 953 CA LEU A 60 9.794 -3.735 -10.486 1.00 0.00 C ATOM 954 C LEU A 60 10.001 -2.223 -10.371 1.00 0.00 C ATOM 955 O LEU A 60 10.337 -1.549 -11.326 1.00 0.00 O ATOM 956 CB LEU A 60 11.143 -4.444 -10.369 1.00 0.00 C ATOM 957 CG LEU A 60 10.948 -5.952 -10.575 1.00 0.00 C ATOM 958 CD1 LEU A 60 12.309 -6.652 -10.503 1.00 0.00 C ATOM 959 CD2 LEU A 60 10.011 -6.517 -9.492 1.00 0.00 C ATOM 0 H LEU A 60 9.816 -4.528 -12.464 1.00 0.00 H new ATOM 0 HA LEU A 60 9.128 -4.058 -9.686 1.00 0.00 H new ATOM 0 HB2 LEU A 60 11.838 -4.052 -11.112 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.582 -4.254 -9.390 1.00 0.00 H new ATOM 0 HG LEU A 60 10.499 -6.128 -11.552 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.175 -7.724 -10.649 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.962 -6.259 -11.282 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.759 -6.472 -9.527 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.879 -7.588 -9.647 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.446 -6.344 -8.508 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.043 -6.020 -9.553 1.00 0.00 H new ATOM 971 N LEU A 61 9.795 -1.691 -9.195 1.00 0.00 N ATOM 972 CA LEU A 61 9.967 -0.227 -8.974 1.00 0.00 C ATOM 973 C LEU A 61 11.440 0.084 -8.696 1.00 0.00 C ATOM 974 O LEU A 61 12.165 -0.726 -8.152 1.00 0.00 O ATOM 975 CB LEU A 61 9.116 0.198 -7.773 1.00 0.00 C ATOM 976 CG LEU A 61 7.654 0.340 -8.204 1.00 0.00 C ATOM 977 CD1 LEU A 61 7.140 -1.003 -8.735 1.00 0.00 C ATOM 978 CD2 LEU A 61 6.816 0.771 -6.999 1.00 0.00 C ATOM 0 H LEU A 61 9.511 -2.217 -8.368 1.00 0.00 H new ATOM 0 HA LEU A 61 9.650 0.319 -9.863 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.200 -0.540 -6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.481 1.144 -7.372 1.00 0.00 H new ATOM 0 HG LEU A 61 7.576 1.089 -8.992 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.099 -0.899 -9.041 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.741 -1.310 -9.591 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.214 -1.757 -7.951 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.773 0.874 -7.299 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.895 0.020 -6.213 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.182 1.727 -6.625 1.00 0.00 H new ATOM 990 N GLU A 62 11.883 1.257 -9.074 1.00 0.00 N ATOM 991 CA GLU A 62 13.309 1.653 -8.852 1.00 0.00 C ATOM 992 C GLU A 62 13.378 2.743 -7.780 1.00 0.00 C ATOM 993 O GLU A 62 12.528 3.607 -7.685 1.00 0.00 O ATOM 994 CB GLU A 62 13.900 2.176 -10.166 1.00 0.00 C ATOM 995 CG GLU A 62 14.051 1.024 -11.177 1.00 0.00 C ATOM 996 CD GLU A 62 12.707 0.731 -11.852 1.00 0.00 C ATOM 997 OE1 GLU A 62 11.724 1.339 -11.465 1.00 0.00 O ATOM 998 OE2 GLU A 62 12.686 -0.097 -12.749 1.00 0.00 O ATOM 0 H GLU A 62 11.311 1.966 -9.533 1.00 0.00 H new ATOM 0 HA GLU A 62 13.882 0.788 -8.517 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.255 2.951 -10.580 1.00 0.00 H new ATOM 0 HB3 GLU A 62 14.871 2.635 -9.979 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.794 1.286 -11.930 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.413 0.130 -10.669 1.00 0.00 H new ATOM 1005 N GLN A 63 14.387 2.677 -6.957 1.00 0.00 N ATOM 1006 CA GLN A 63 14.541 3.670 -5.858 1.00 0.00 C ATOM 1007 C GLN A 63 15.012 5.015 -6.405 1.00 0.00 C ATOM 1008 O GLN A 63 15.882 5.088 -7.248 1.00 0.00 O ATOM 1009 CB GLN A 63 15.559 3.146 -4.849 1.00 0.00 C ATOM 1010 CG GLN A 63 14.971 1.929 -4.141 1.00 0.00 C ATOM 1011 CD GLN A 63 16.021 1.305 -3.224 1.00 0.00 C ATOM 1012 OE1 GLN A 63 17.195 1.297 -3.539 1.00 0.00 O ATOM 1013 NE2 GLN A 63 15.642 0.777 -2.096 1.00 0.00 N ATOM 0 H GLN A 63 15.120 1.969 -7.000 1.00 0.00 H new ATOM 0 HA GLN A 63 13.574 3.813 -5.376 1.00 0.00 H new ATOM 0 HB2 GLN A 63 16.486 2.877 -5.354 1.00 0.00 H new ATOM 0 HB3 GLN A 63 15.805 3.922 -4.124 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.096 2.222 -3.560 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.635 1.197 -4.875 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.656 0.785 -1.835 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.331 0.355 -1.473 1.00 0.00 H new ATOM 1022 N GLY A 64 14.441 6.083 -5.917 1.00 0.00 N ATOM 1023 CA GLY A 64 14.845 7.443 -6.385 1.00 0.00 C ATOM 1024 C GLY A 64 13.913 7.899 -7.511 1.00 0.00 C ATOM 1025 O GLY A 64 13.885 9.059 -7.871 1.00 0.00 O ATOM 0 H GLY A 64 13.707 6.073 -5.209 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.804 8.150 -5.557 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.876 7.425 -6.738 1.00 0.00 H new ATOM 1029 N GLU A 65 13.160 6.993 -8.081 1.00 0.00 N ATOM 1030 CA GLU A 65 12.240 7.368 -9.197 1.00 0.00 C ATOM 1031 C GLU A 65 10.817 7.604 -8.675 1.00 0.00 C ATOM 1032 O GLU A 65 10.407 7.083 -7.651 1.00 0.00 O ATOM 1033 CB GLU A 65 12.228 6.246 -10.238 1.00 0.00 C ATOM 1034 CG GLU A 65 13.580 6.199 -10.951 1.00 0.00 C ATOM 1035 CD GLU A 65 13.567 5.082 -11.996 1.00 0.00 C ATOM 1036 OE1 GLU A 65 12.516 4.495 -12.192 1.00 0.00 O ATOM 1037 OE2 GLU A 65 14.606 4.836 -12.585 1.00 0.00 O ATOM 0 H GLU A 65 13.143 6.007 -7.821 1.00 0.00 H new ATOM 0 HA GLU A 65 12.596 8.293 -9.651 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.026 5.290 -9.756 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.429 6.414 -10.960 1.00 0.00 H new ATOM 0 HG2 GLU A 65 13.784 7.157 -11.430 1.00 0.00 H new ATOM 0 HG3 GLU A 65 14.378 6.027 -10.229 1.00 0.00 H new ATOM 1044 N SER A 66 10.072 8.395 -9.399 1.00 0.00 N ATOM 1045 CA SER A 66 8.661 8.700 -9.017 1.00 0.00 C ATOM 1046 C SER A 66 7.717 7.728 -9.721 1.00 0.00 C ATOM 1047 O SER A 66 8.058 7.136 -10.726 1.00 0.00 O ATOM 1048 CB SER A 66 8.335 10.135 -9.417 1.00 0.00 C ATOM 1049 OG SER A 66 8.843 10.386 -10.716 1.00 0.00 O ATOM 0 H SER A 66 10.387 8.851 -10.255 1.00 0.00 H new ATOM 0 HA SER A 66 8.537 8.590 -7.940 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.257 10.294 -9.399 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.772 10.832 -8.702 1.00 0.00 H new ATOM 0 HG SER A 66 8.634 11.307 -10.977 1.00 0.00 H new ATOM 1055 N TYR A 67 6.530 7.559 -9.205 1.00 0.00 N ATOM 1056 CA TYR A 67 5.566 6.623 -9.847 1.00 0.00 C ATOM 1057 C TYR A 67 4.147 7.097 -9.605 1.00 0.00 C ATOM 1058 O TYR A 67 3.840 7.687 -8.587 1.00 0.00 O ATOM 1059 CB TYR A 67 5.716 5.235 -9.242 1.00 0.00 C ATOM 1060 CG TYR A 67 7.093 4.709 -9.531 1.00 0.00 C ATOM 1061 CD1 TYR A 67 8.159 5.068 -8.703 1.00 0.00 C ATOM 1062 CD2 TYR A 67 7.305 3.860 -10.622 1.00 0.00 C ATOM 1063 CE1 TYR A 67 9.441 4.581 -8.965 1.00 0.00 C ATOM 1064 CE2 TYR A 67 8.587 3.370 -10.884 1.00 0.00 C ATOM 1065 CZ TYR A 67 9.655 3.732 -10.056 1.00 0.00 C ATOM 1066 OH TYR A 67 10.922 3.256 -10.320 1.00 0.00 O ATOM 0 H TYR A 67 6.187 8.029 -8.367 1.00 0.00 H new ATOM 0 HA TYR A 67 5.772 6.592 -10.917 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.549 5.276 -8.166 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.964 4.563 -9.656 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.992 5.722 -7.860 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.479 3.584 -11.261 1.00 0.00 H new ATOM 0 HE1 TYR A 67 10.266 4.859 -8.326 1.00 0.00 H new ATOM 0 HE2 TYR A 67 8.753 2.713 -11.725 1.00 0.00 H new ATOM 0 HH TYR A 67 10.864 2.498 -10.939 1.00 0.00 H new ATOM 1076 N LEU A 68 3.279 6.814 -10.533 1.00 0.00 N ATOM 1077 CA LEU A 68 1.846 7.218 -10.374 1.00 0.00 C ATOM 1078 C LEU A 68 1.065 5.966 -9.996 1.00 0.00 C ATOM 1079 O LEU A 68 1.209 4.930 -10.620 1.00 0.00 O ATOM 1080 CB LEU A 68 1.301 7.830 -11.687 1.00 0.00 C ATOM 1081 CG LEU A 68 0.196 8.876 -11.410 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -0.829 8.351 -10.394 1.00 0.00 C ATOM 1083 CD2 LEU A 68 0.820 10.187 -10.898 1.00 0.00 C ATOM 0 H LEU A 68 3.495 6.319 -11.398 1.00 0.00 H new ATOM 0 HA LEU A 68 1.745 7.980 -9.601 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.117 8.299 -12.237 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.903 7.038 -12.321 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.325 9.068 -12.348 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.592 9.110 -10.221 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.298 7.447 -10.784 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.326 8.122 -9.455 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.032 10.915 -10.707 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.367 9.994 -9.975 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.504 10.582 -11.649 1.00 0.00 H new ATOM 1095 N LEU A 69 0.242 6.054 -8.977 1.00 0.00 N ATOM 1096 CA LEU A 69 -0.558 4.874 -8.536 1.00 0.00 C ATOM 1097 C LEU A 69 -2.010 5.056 -8.966 1.00 0.00 C ATOM 1098 O LEU A 69 -2.730 5.868 -8.413 1.00 0.00 O ATOM 1099 CB LEU A 69 -0.495 4.789 -7.011 1.00 0.00 C ATOM 1100 CG LEU A 69 0.968 4.723 -6.565 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.034 4.671 -5.037 1.00 0.00 C ATOM 1102 CD2 LEU A 69 1.642 3.475 -7.163 1.00 0.00 C ATOM 0 H LEU A 69 0.092 6.902 -8.430 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.159 3.964 -8.984 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.983 5.657 -6.567 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.033 3.907 -6.662 1.00 0.00 H new ATOM 0 HG LEU A 69 1.493 5.610 -6.918 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.076 4.624 -4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.568 5.565 -4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.505 3.787 -4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.683 3.434 -6.842 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.121 2.581 -6.820 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.600 3.525 -8.251 1.00 0.00 H new ATOM 1114 N ARG A 70 -2.445 4.309 -9.955 1.00 0.00 N ATOM 1115 CA ARG A 70 -3.854 4.433 -10.447 1.00 0.00 C ATOM 1116 C ARG A 70 -4.657 3.184 -10.075 1.00 0.00 C ATOM 1117 O ARG A 70 -4.180 2.071 -10.173 1.00 0.00 O ATOM 1118 CB ARG A 70 -3.846 4.578 -11.969 1.00 0.00 C ATOM 1119 CG ARG A 70 -3.101 5.852 -12.357 1.00 0.00 C ATOM 1120 CD ARG A 70 -3.082 5.986 -13.879 1.00 0.00 C ATOM 1121 NE ARG A 70 -4.474 6.192 -14.368 1.00 0.00 N ATOM 1122 CZ ARG A 70 -4.719 6.246 -15.648 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -3.746 6.119 -16.509 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -5.941 6.424 -16.067 1.00 0.00 N ATOM 0 H ARG A 70 -1.880 3.615 -10.445 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.313 5.308 -9.986 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.367 3.711 -12.425 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.868 4.613 -12.347 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.586 6.720 -11.911 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.082 5.822 -11.971 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.452 6.825 -14.175 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.654 5.091 -14.330 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.238 6.291 -13.700 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.790 5.977 -16.182 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.941 6.162 -17.509 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.702 6.521 -15.394 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.136 6.467 -17.067 1.00 0.00 H new ATOM 1138 N SER A 71 -5.884 3.376 -9.665 1.00 0.00 N ATOM 1139 CA SER A 71 -6.765 2.229 -9.296 1.00 0.00 C ATOM 1140 C SER A 71 -6.104 1.354 -8.228 1.00 0.00 C ATOM 1141 O SER A 71 -5.899 0.173 -8.426 1.00 0.00 O ATOM 1142 CB SER A 71 -7.059 1.385 -10.536 1.00 0.00 C ATOM 1143 OG SER A 71 -7.708 0.183 -10.138 1.00 0.00 O ATOM 0 H SER A 71 -6.319 4.294 -9.569 1.00 0.00 H new ATOM 0 HA SER A 71 -7.695 2.627 -8.891 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.690 1.942 -11.229 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.133 1.156 -11.063 1.00 0.00 H new ATOM 0 HG SER A 71 -7.090 -0.362 -9.608 1.00 0.00 H new ATOM 1149 N VAL A 72 -5.787 1.920 -7.087 1.00 0.00 N ATOM 1150 CA VAL A 72 -5.155 1.125 -5.984 1.00 0.00 C ATOM 1151 C VAL A 72 -6.138 1.019 -4.822 1.00 0.00 C ATOM 1152 O VAL A 72 -7.129 1.721 -4.766 1.00 0.00 O ATOM 1153 CB VAL A 72 -3.862 1.805 -5.515 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -2.770 1.634 -6.579 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -4.123 3.298 -5.288 1.00 0.00 C ATOM 0 H VAL A 72 -5.940 2.905 -6.871 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.909 0.128 -6.350 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.532 1.346 -4.583 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.854 2.119 -6.241 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.581 0.573 -6.739 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.098 2.089 -7.513 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.205 3.781 -4.955 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.456 3.755 -6.220 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.894 3.421 -4.528 1.00 0.00 H new ATOM 1165 N VAL A 73 -5.872 0.126 -3.903 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.785 -0.072 -2.735 1.00 0.00 C ATOM 1167 C VAL A 73 -5.989 0.032 -1.433 1.00 0.00 C ATOM 1168 O VAL A 73 -4.798 -0.204 -1.394 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.444 -1.450 -2.841 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -6.383 -2.548 -2.738 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -8.460 -1.612 -1.710 1.00 0.00 C ATOM 0 H VAL A 73 -5.052 -0.481 -3.912 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.556 0.698 -2.736 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.948 -1.534 -3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.861 -3.524 -2.814 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.661 -2.433 -3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.870 -2.469 -1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.931 -2.592 -1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.952 -1.523 -0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -9.221 -0.836 -1.791 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.651 0.402 -0.371 1.00 0.00 N ATOM 1182 CA VAL A 74 -5.959 0.548 0.946 1.00 0.00 C ATOM 1183 C VAL A 74 -6.092 -0.749 1.745 1.00 0.00 C ATOM 1184 O VAL A 74 -7.168 -1.297 1.880 1.00 0.00 O ATOM 1185 CB VAL A 74 -6.599 1.703 1.718 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -5.944 1.825 3.096 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.384 3.000 0.935 1.00 0.00 C ATOM 0 H VAL A 74 -7.649 0.611 -0.357 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.901 0.756 0.786 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.666 1.517 1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.401 2.648 3.645 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.086 0.897 3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.878 2.017 2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.836 3.831 1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.316 3.182 0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.847 2.912 -0.048 1.00 0.00 H new ATOM 1197 N GLY A 75 -5.003 -1.247 2.280 1.00 0.00 N ATOM 1198 CA GLY A 75 -5.050 -2.512 3.076 1.00 0.00 C ATOM 1199 C GLY A 75 -5.019 -2.184 4.569 1.00 0.00 C ATOM 1200 O GLY A 75 -4.419 -1.215 4.991 1.00 0.00 O ATOM 0 H GLY A 75 -4.077 -0.827 2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.954 -3.071 2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.204 -3.148 2.816 1.00 0.00 H new ATOM 1204 N GLU A 76 -5.658 -2.988 5.375 1.00 0.00 N ATOM 1205 CA GLU A 76 -5.667 -2.735 6.846 1.00 0.00 C ATOM 1206 C GLU A 76 -4.526 -3.518 7.499 1.00 0.00 C ATOM 1207 O GLU A 76 -4.631 -4.708 7.728 1.00 0.00 O ATOM 1208 CB GLU A 76 -7.003 -3.207 7.422 1.00 0.00 C ATOM 1209 CG GLU A 76 -7.065 -2.872 8.911 1.00 0.00 C ATOM 1210 CD GLU A 76 -8.432 -3.272 9.467 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -9.149 -3.974 8.773 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -8.739 -2.869 10.576 1.00 0.00 O ATOM 0 H GLU A 76 -6.177 -3.814 5.077 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.536 -1.671 7.042 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.828 -2.726 6.896 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.115 -4.281 7.276 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.275 -3.398 9.446 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.897 -1.806 9.062 1.00 0.00 H new ATOM 1219 N TYR A 77 -3.430 -2.860 7.792 1.00 0.00 N ATOM 1220 CA TYR A 77 -2.269 -3.562 8.421 1.00 0.00 C ATOM 1221 C TYR A 77 -2.247 -3.260 9.923 1.00 0.00 C ATOM 1222 O TYR A 77 -1.882 -2.184 10.350 1.00 0.00 O ATOM 1223 CB TYR A 77 -0.977 -3.064 7.764 1.00 0.00 C ATOM 1224 CG TYR A 77 0.195 -3.856 8.287 1.00 0.00 C ATOM 1225 CD1 TYR A 77 0.465 -5.130 7.771 1.00 0.00 C ATOM 1226 CD2 TYR A 77 1.016 -3.316 9.283 1.00 0.00 C ATOM 1227 CE1 TYR A 77 1.554 -5.864 8.254 1.00 0.00 C ATOM 1228 CE2 TYR A 77 2.104 -4.050 9.767 1.00 0.00 C ATOM 1229 CZ TYR A 77 2.374 -5.324 9.251 1.00 0.00 C ATOM 1230 OH TYR A 77 3.448 -6.046 9.729 1.00 0.00 O ATOM 0 H TYR A 77 -3.290 -1.864 7.622 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.357 -4.639 8.279 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.045 -3.168 6.681 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.835 -2.004 7.974 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.167 -5.546 7.000 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.810 -2.332 9.678 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.762 -6.847 7.857 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.736 -3.635 10.538 1.00 0.00 H new ATOM 0 HH TYR A 77 3.912 -5.525 10.417 1.00 0.00 H new ATOM 1240 N ASN A 78 -2.636 -4.217 10.724 1.00 0.00 N ATOM 1241 CA ASN A 78 -2.654 -4.023 12.208 1.00 0.00 C ATOM 1242 C ASN A 78 -3.167 -2.623 12.565 1.00 0.00 C ATOM 1243 O ASN A 78 -4.302 -2.280 12.296 1.00 0.00 O ATOM 1244 CB ASN A 78 -1.242 -4.205 12.766 1.00 0.00 C ATOM 1245 CG ASN A 78 -1.289 -4.124 14.293 1.00 0.00 C ATOM 1246 OD1 ASN A 78 -2.239 -4.567 14.909 1.00 0.00 O ATOM 1247 ND2 ASN A 78 -0.296 -3.572 14.936 1.00 0.00 N ATOM 0 H ASN A 78 -2.946 -5.137 10.411 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.323 -4.763 12.647 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.836 -5.167 12.453 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -0.580 -3.436 12.369 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.318 -3.513 15.954 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.502 -3.200 14.420 1.00 0.00 H new ATOM 1254 N ASP A 79 -2.343 -1.818 13.184 1.00 0.00 N ATOM 1255 CA ASP A 79 -2.778 -0.444 13.578 1.00 0.00 C ATOM 1256 C ASP A 79 -2.418 0.558 12.481 1.00 0.00 C ATOM 1257 O ASP A 79 -2.941 1.654 12.437 1.00 0.00 O ATOM 1258 CB ASP A 79 -2.070 -0.048 14.874 1.00 0.00 C ATOM 1259 CG ASP A 79 -2.633 -0.866 16.036 1.00 0.00 C ATOM 1260 OD1 ASP A 79 -3.669 -1.483 15.854 1.00 0.00 O ATOM 1261 OD2 ASP A 79 -2.020 -0.858 17.091 1.00 0.00 O ATOM 0 H ASP A 79 -1.383 -2.054 13.435 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.858 -0.438 13.724 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.998 -0.219 14.781 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.208 1.016 15.065 1.00 0.00 H new ATOM 1266 N ARG A 80 -1.515 0.201 11.604 1.00 0.00 N ATOM 1267 CA ARG A 80 -1.101 1.139 10.514 1.00 0.00 C ATOM 1268 C ARG A 80 -1.827 0.786 9.214 1.00 0.00 C ATOM 1269 O ARG A 80 -2.364 -0.294 9.055 1.00 0.00 O ATOM 1270 CB ARG A 80 0.409 1.026 10.294 1.00 0.00 C ATOM 1271 CG ARG A 80 1.140 1.580 11.515 1.00 0.00 C ATOM 1272 CD ARG A 80 2.648 1.448 11.308 1.00 0.00 C ATOM 1273 NE ARG A 80 3.358 1.938 12.524 1.00 0.00 N ATOM 1274 CZ ARG A 80 3.631 3.209 12.667 1.00 0.00 C ATOM 1275 NH1 ARG A 80 3.292 4.063 11.740 1.00 0.00 N ATOM 1276 NH2 ARG A 80 4.246 3.624 13.740 1.00 0.00 N ATOM 0 H ARG A 80 -1.044 -0.704 11.595 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.359 2.158 10.804 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.687 -0.015 10.131 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.700 1.578 9.400 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.873 2.626 11.669 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.836 1.039 12.411 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.910 0.408 11.114 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.958 2.023 10.435 1.00 0.00 H new ATOM 0 HE ARG A 80 3.633 1.277 13.250 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.812 3.740 10.900 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.507 5.053 11.856 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.513 2.958 14.465 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.460 4.615 13.854 1.00 0.00 H new ATOM 1290 N PHE A 81 -1.842 1.702 8.282 1.00 0.00 N ATOM 1291 CA PHE A 81 -2.524 1.459 6.973 1.00 0.00 C ATOM 1292 C PHE A 81 -1.463 1.319 5.882 1.00 0.00 C ATOM 1293 O PHE A 81 -0.378 1.852 5.990 1.00 0.00 O ATOM 1294 CB PHE A 81 -3.436 2.645 6.660 1.00 0.00 C ATOM 1295 CG PHE A 81 -4.568 2.676 7.660 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -5.707 1.892 7.447 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -4.477 3.487 8.799 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -6.756 1.916 8.373 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -5.527 3.511 9.724 1.00 0.00 C ATOM 1300 CZ PHE A 81 -6.667 2.727 9.511 1.00 0.00 C ATOM 0 H PHE A 81 -1.406 2.620 8.372 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.120 0.547 7.020 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.870 3.576 6.703 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.831 2.559 5.648 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.777 1.268 6.568 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.598 4.093 8.963 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -7.634 1.309 8.210 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.458 4.135 10.603 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.478 2.748 10.224 1.00 0.00 H new ATOM 1310 N GLN A 82 -1.762 0.601 4.832 1.00 0.00 N ATOM 1311 CA GLN A 82 -0.765 0.423 3.734 1.00 0.00 C ATOM 1312 C GLN A 82 -1.501 0.338 2.399 1.00 0.00 C ATOM 1313 O GLN A 82 -2.693 0.107 2.355 1.00 0.00 O ATOM 1314 CB GLN A 82 0.034 -0.867 3.970 1.00 0.00 C ATOM 1315 CG GLN A 82 -0.900 -2.083 3.922 1.00 0.00 C ATOM 1316 CD GLN A 82 -0.109 -3.351 4.258 1.00 0.00 C ATOM 1317 OE1 GLN A 82 -0.673 -4.423 4.349 1.00 0.00 O ATOM 1318 NE2 GLN A 82 1.182 -3.275 4.446 1.00 0.00 N ATOM 0 H GLN A 82 -2.655 0.129 4.686 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.079 1.270 3.718 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.811 -0.966 3.212 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.535 -0.822 4.937 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.718 -1.954 4.630 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.347 -2.172 2.932 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.656 -2.375 4.370 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.715 -4.115 4.669 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.800 0.520 1.308 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.454 0.448 -0.035 1.00 0.00 C ATOM 1329 C VAL A 83 -1.079 -0.883 -0.695 1.00 0.00 C ATOM 1330 O VAL A 83 0.081 -1.213 -0.826 1.00 0.00 O ATOM 1331 CB VAL A 83 -0.952 1.610 -0.908 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -1.954 1.881 -2.027 1.00 0.00 C ATOM 1333 CG2 VAL A 83 -0.801 2.864 -0.049 1.00 0.00 C ATOM 0 H VAL A 83 0.201 0.716 1.289 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.536 0.518 0.073 1.00 0.00 H new ATOM 0 HB VAL A 83 0.013 1.345 -1.341 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.596 2.705 -2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.063 0.988 -2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.919 2.144 -1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.445 3.688 -0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.766 3.126 0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.084 2.674 0.750 1.00 0.00 H new ATOM 1343 N GLN A 84 -2.056 -1.647 -1.112 1.00 0.00 N ATOM 1344 CA GLN A 84 -1.769 -2.961 -1.764 1.00 0.00 C ATOM 1345 C GLN A 84 -2.021 -2.852 -3.266 1.00 0.00 C ATOM 1346 O GLN A 84 -3.081 -2.454 -3.704 1.00 0.00 O ATOM 1347 CB GLN A 84 -2.693 -4.026 -1.178 1.00 0.00 C ATOM 1348 CG GLN A 84 -2.295 -4.295 0.272 1.00 0.00 C ATOM 1349 CD GLN A 84 -3.231 -5.343 0.871 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -4.082 -5.874 0.186 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -3.108 -5.669 2.128 1.00 0.00 N ATOM 0 H GLN A 84 -3.046 -1.416 -1.028 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.729 -3.235 -1.587 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.729 -3.692 -1.227 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -2.626 -4.944 -1.762 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.264 -4.644 0.318 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.346 -3.373 0.851 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -2.393 -5.223 2.703 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -3.727 -6.370 2.536 1.00 0.00 H new ATOM 1360 N VAL A 85 -1.046 -3.208 -4.059 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.205 -3.139 -5.542 1.00 0.00 C ATOM 1362 C VAL A 85 -1.588 -4.523 -6.064 1.00 0.00 C ATOM 1363 O VAL A 85 -1.016 -5.520 -5.664 1.00 0.00 O ATOM 1364 CB VAL A 85 0.116 -2.706 -6.173 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.104 -2.412 -7.657 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.619 -1.444 -5.469 1.00 0.00 C ATOM 0 H VAL A 85 -0.138 -3.547 -3.741 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.982 -2.419 -5.799 1.00 0.00 H new ATOM 0 HB VAL A 85 0.854 -3.501 -6.067 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.838 -2.103 -8.110 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.469 -3.310 -8.156 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.838 -1.614 -7.765 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.562 -1.130 -5.915 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.117 -0.648 -5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.771 -1.654 -4.410 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.555 -4.596 -6.948 1.00 0.00 N ATOM 1377 CA ASN A 86 -2.991 -5.917 -7.497 1.00 0.00 C ATOM 1378 C ASN A 86 -3.060 -5.845 -9.022 1.00 0.00 C ATOM 1379 O ASN A 86 -2.604 -4.901 -9.637 1.00 0.00 O ATOM 1380 CB ASN A 86 -4.382 -6.254 -6.953 1.00 0.00 C ATOM 1381 CG ASN A 86 -5.326 -5.070 -7.181 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -5.356 -4.497 -8.253 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -6.101 -4.674 -6.208 1.00 0.00 N ATOM 0 H ASN A 86 -3.063 -3.791 -7.314 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.276 -6.684 -7.200 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.772 -7.143 -7.449 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.321 -6.484 -5.889 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.731 -3.884 -6.347 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -6.076 -5.154 -5.309 1.00 0.00 H new ATOM 1390 N LYS A 87 -3.626 -6.847 -9.630 1.00 0.00 N ATOM 1391 CA LYS A 87 -3.736 -6.876 -11.113 1.00 0.00 C ATOM 1392 C LYS A 87 -4.615 -5.722 -11.601 1.00 0.00 C ATOM 1393 O LYS A 87 -4.342 -5.107 -12.613 1.00 0.00 O ATOM 1394 CB LYS A 87 -4.362 -8.211 -11.524 1.00 0.00 C ATOM 1395 CG LYS A 87 -5.808 -8.277 -11.016 1.00 0.00 C ATOM 1396 CD LYS A 87 -6.355 -9.700 -11.174 1.00 0.00 C ATOM 1397 CE LYS A 87 -6.539 -10.032 -12.658 1.00 0.00 C ATOM 1398 NZ LYS A 87 -7.368 -11.263 -12.791 1.00 0.00 N ATOM 0 H LYS A 87 -4.023 -7.658 -9.156 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.747 -6.769 -11.559 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.341 -8.316 -12.609 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.783 -9.038 -11.113 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.848 -7.977 -9.969 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.430 -7.576 -11.572 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.670 -10.414 -10.716 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.308 -9.792 -10.652 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.020 -9.199 -13.171 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.569 -10.181 -13.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.494 -11.490 -13.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.892 -12.055 -12.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.298 -11.104 -12.353 1.00 0.00 H new ATOM 1412 N ASN A 88 -5.673 -5.431 -10.897 1.00 0.00 N ATOM 1413 CA ASN A 88 -6.575 -4.324 -11.324 1.00 0.00 C ATOM 1414 C ASN A 88 -5.854 -2.982 -11.177 1.00 0.00 C ATOM 1415 O ASN A 88 -6.240 -1.993 -11.767 1.00 0.00 O ATOM 1416 CB ASN A 88 -7.829 -4.324 -10.447 1.00 0.00 C ATOM 1417 CG ASN A 88 -8.492 -5.703 -10.491 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -8.999 -6.178 -9.495 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -8.514 -6.369 -11.614 1.00 0.00 N ATOM 0 H ASN A 88 -5.953 -5.913 -10.043 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.855 -4.470 -12.367 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.566 -4.069 -9.420 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.528 -3.563 -10.795 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.957 -7.287 -11.654 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.089 -5.971 -12.451 1.00 0.00 H new ATOM 1426 N SER A 89 -4.817 -2.939 -10.385 1.00 0.00 N ATOM 1427 CA SER A 89 -4.074 -1.657 -10.188 1.00 0.00 C ATOM 1428 C SER A 89 -3.045 -1.471 -11.305 1.00 0.00 C ATOM 1429 O SER A 89 -2.739 -2.386 -12.041 1.00 0.00 O ATOM 1430 CB SER A 89 -3.364 -1.685 -8.839 1.00 0.00 C ATOM 1431 OG SER A 89 -4.329 -1.587 -7.804 1.00 0.00 O ATOM 0 H SER A 89 -4.450 -3.736 -9.865 1.00 0.00 H new ATOM 0 HA SER A 89 -4.780 -0.827 -10.213 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.793 -2.607 -8.734 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.654 -0.861 -8.771 1.00 0.00 H new ATOM 0 HG SER A 89 -5.154 -1.197 -8.162 1.00 0.00 H new ATOM 1437 N SER A 90 -2.508 -0.284 -11.438 1.00 0.00 N ATOM 1438 CA SER A 90 -1.498 -0.024 -12.508 1.00 0.00 C ATOM 1439 C SER A 90 -0.464 0.970 -11.987 1.00 0.00 C ATOM 1440 O SER A 90 -0.681 1.645 -10.996 1.00 0.00 O ATOM 1441 CB SER A 90 -2.190 0.550 -13.740 1.00 0.00 C ATOM 1442 OG SER A 90 -3.011 1.638 -13.350 1.00 0.00 O ATOM 0 H SER A 90 -2.727 0.519 -10.849 1.00 0.00 H new ATOM 0 HA SER A 90 -1.004 -0.957 -12.781 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.448 0.881 -14.467 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.791 -0.219 -14.225 1.00 0.00 H new ATOM 0 HG SER A 90 -3.456 2.011 -14.139 1.00 0.00 H new ATOM 1448 N ILE A 91 0.659 1.081 -12.651 1.00 0.00 N ATOM 1449 CA ILE A 91 1.708 2.040 -12.198 1.00 0.00 C ATOM 1450 C ILE A 91 2.486 2.544 -13.413 1.00 0.00 C ATOM 1451 O ILE A 91 2.806 1.788 -14.309 1.00 0.00 O ATOM 1452 CB ILE A 91 2.680 1.336 -11.236 1.00 0.00 C ATOM 1453 CG1 ILE A 91 1.890 0.732 -10.070 1.00 0.00 C ATOM 1454 CG2 ILE A 91 3.701 2.350 -10.693 1.00 0.00 C ATOM 1455 CD1 ILE A 91 2.851 0.152 -9.036 1.00 0.00 C ATOM 0 H ILE A 91 0.893 0.547 -13.488 1.00 0.00 H new ATOM 0 HA ILE A 91 1.233 2.876 -11.685 1.00 0.00 H new ATOM 0 HB ILE A 91 3.208 0.546 -11.770 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.264 1.496 -9.609 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.223 -0.048 -10.437 1.00 0.00 H new ATOM 0 HG21 ILE A 91 4.387 1.846 -10.012 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.263 2.780 -11.522 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.177 3.143 -10.159 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.282 -0.275 -8.210 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.458 -0.626 -9.499 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.500 0.942 -8.659 1.00 0.00 H new ATOM 1467 N GLU A 92 2.811 3.813 -13.440 1.00 0.00 N ATOM 1468 CA GLU A 92 3.596 4.371 -14.594 1.00 0.00 C ATOM 1469 C GLU A 92 4.737 5.245 -14.064 1.00 0.00 C ATOM 1470 O GLU A 92 4.599 5.939 -13.076 1.00 0.00 O ATOM 1471 CB GLU A 92 2.682 5.209 -15.493 1.00 0.00 C ATOM 1472 CG GLU A 92 1.811 6.109 -14.627 1.00 0.00 C ATOM 1473 CD GLU A 92 0.937 6.989 -15.522 1.00 0.00 C ATOM 1474 OE1 GLU A 92 1.151 6.978 -16.723 1.00 0.00 O ATOM 1475 OE2 GLU A 92 0.072 7.665 -14.988 1.00 0.00 O ATOM 0 H GLU A 92 2.569 4.489 -12.716 1.00 0.00 H new ATOM 0 HA GLU A 92 4.009 3.547 -15.176 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.279 5.811 -16.178 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.057 4.557 -16.104 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.185 5.504 -13.971 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.436 6.731 -13.987 1.00 0.00 H new ATOM 1482 N LYS A 93 5.868 5.205 -14.718 1.00 0.00 N ATOM 1483 CA LYS A 93 7.031 6.021 -14.267 1.00 0.00 C ATOM 1484 C LYS A 93 6.781 7.494 -14.581 1.00 0.00 C ATOM 1485 O LYS A 93 6.245 7.835 -15.616 1.00 0.00 O ATOM 1486 CB LYS A 93 8.288 5.554 -14.998 1.00 0.00 C ATOM 1487 CG LYS A 93 8.678 4.167 -14.495 1.00 0.00 C ATOM 1488 CD LYS A 93 9.871 3.645 -15.299 1.00 0.00 C ATOM 1489 CE LYS A 93 10.227 2.229 -14.835 1.00 0.00 C ATOM 1490 NZ LYS A 93 10.595 2.257 -13.391 1.00 0.00 N ATOM 0 H LYS A 93 6.036 4.639 -15.550 1.00 0.00 H new ATOM 0 HA LYS A 93 7.163 5.899 -13.192 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.108 5.526 -16.073 1.00 0.00 H new ATOM 0 HB3 LYS A 93 9.103 6.257 -14.829 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.932 4.212 -13.436 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.834 3.484 -14.592 1.00 0.00 H new ATOM 0 HD2 LYS A 93 9.631 3.640 -16.362 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.727 4.307 -15.169 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.381 1.560 -14.993 1.00 0.00 H new ATOM 0 HE3 LYS A 93 11.056 1.839 -15.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.902 1.309 -13.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.370 2.934 -13.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.770 2.547 -12.828 1.00 0.00 H new ATOM 1504 N LEU A 94 7.167 8.367 -13.685 1.00 0.00 N ATOM 1505 CA LEU A 94 6.960 9.836 -13.903 1.00 0.00 C ATOM 1506 C LEU A 94 8.306 10.529 -14.103 1.00 0.00 C ATOM 1507 O LEU A 94 9.315 10.134 -13.551 1.00 0.00 O ATOM 1508 CB LEU A 94 6.259 10.433 -12.685 1.00 0.00 C ATOM 1509 CG LEU A 94 4.876 9.787 -12.516 1.00 0.00 C ATOM 1510 CD1 LEU A 94 4.248 10.258 -11.192 1.00 0.00 C ATOM 1511 CD2 LEU A 94 3.967 10.165 -13.708 1.00 0.00 C ATOM 0 H LEU A 94 7.621 8.125 -12.804 1.00 0.00 H new ATOM 0 HA LEU A 94 6.347 9.984 -14.792 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.860 10.268 -11.791 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.155 11.511 -12.805 1.00 0.00 H new ATOM 0 HG LEU A 94 4.983 8.702 -12.493 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.266 9.800 -11.072 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.889 9.965 -10.361 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.143 11.343 -11.205 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.988 9.703 -13.580 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.854 11.248 -13.750 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.417 9.811 -14.635 1.00 0.00 H new ATOM 1523 N SER A 95 8.320 11.563 -14.899 1.00 0.00 N ATOM 1524 CA SER A 95 9.583 12.308 -15.162 1.00 0.00 C ATOM 1525 C SER A 95 9.675 13.515 -14.230 1.00 0.00 C ATOM 1526 O SER A 95 10.567 14.332 -14.355 1.00 0.00 O ATOM 1527 CB SER A 95 9.588 12.793 -16.610 1.00 0.00 C ATOM 1528 OG SER A 95 8.526 13.720 -16.795 1.00 0.00 O ATOM 0 H SER A 95 7.500 11.927 -15.384 1.00 0.00 H new ATOM 0 HA SER A 95 10.433 11.649 -14.987 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.543 13.263 -16.845 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.472 11.949 -17.290 1.00 0.00 H new ATOM 0 HG SER A 95 8.526 14.036 -17.723 1.00 0.00 H new ATOM 1534 N GLU A 96 8.753 13.645 -13.301 1.00 0.00 N ATOM 1535 CA GLU A 96 8.772 14.805 -12.356 1.00 0.00 C ATOM 1536 C GLU A 96 8.927 14.289 -10.916 1.00 0.00 C ATOM 1537 O GLU A 96 7.950 14.000 -10.251 1.00 0.00 O ATOM 1538 CB GLU A 96 7.447 15.557 -12.474 1.00 0.00 C ATOM 1539 CG GLU A 96 7.161 15.828 -13.950 1.00 0.00 C ATOM 1540 CD GLU A 96 5.922 16.713 -14.074 1.00 0.00 C ATOM 1541 OE1 GLU A 96 4.841 16.227 -13.789 1.00 0.00 O ATOM 1542 OE2 GLU A 96 6.076 17.862 -14.451 1.00 0.00 O ATOM 0 H GLU A 96 7.984 12.991 -13.159 1.00 0.00 H new ATOM 0 HA GLU A 96 9.604 15.466 -12.599 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.640 14.970 -12.035 1.00 0.00 H new ATOM 0 HB3 GLU A 96 7.496 16.495 -11.921 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.018 16.316 -14.414 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.004 14.888 -14.480 1.00 0.00 H new ATOM 1549 N PRO A 97 10.143 14.187 -10.430 1.00 0.00 N ATOM 1550 CA PRO A 97 10.423 13.716 -9.038 1.00 0.00 C ATOM 1551 C PRO A 97 9.671 14.544 -7.985 1.00 0.00 C ATOM 1552 O PRO A 97 9.229 15.645 -8.246 1.00 0.00 O ATOM 1553 CB PRO A 97 11.947 13.880 -8.886 1.00 0.00 C ATOM 1554 CG PRO A 97 12.481 13.888 -10.284 1.00 0.00 C ATOM 1555 CD PRO A 97 11.385 14.498 -11.156 1.00 0.00 C ATOM 0 HA PRO A 97 10.089 12.690 -8.882 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.194 14.805 -8.365 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.375 13.063 -8.305 1.00 0.00 H new ATOM 0 HG2 PRO A 97 13.399 14.473 -10.347 1.00 0.00 H new ATOM 0 HG3 PRO A 97 12.724 12.878 -10.614 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.520 15.573 -11.274 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.383 14.065 -12.156 1.00 0.00 H new ATOM 1563 N ILE A 98 9.517 14.007 -6.801 1.00 0.00 N ATOM 1564 CA ILE A 98 8.789 14.731 -5.713 1.00 0.00 C ATOM 1565 C ILE A 98 9.793 15.250 -4.683 1.00 0.00 C ATOM 1566 O ILE A 98 10.750 14.585 -4.336 1.00 0.00 O ATOM 1567 CB ILE A 98 7.799 13.772 -5.044 1.00 0.00 C ATOM 1568 CG1 ILE A 98 6.796 13.234 -6.102 1.00 0.00 C ATOM 1569 CG2 ILE A 98 7.045 14.520 -3.941 1.00 0.00 C ATOM 1570 CD1 ILE A 98 7.280 11.890 -6.655 1.00 0.00 C ATOM 0 H ILE A 98 9.869 13.086 -6.538 1.00 0.00 H new ATOM 0 HA ILE A 98 8.244 15.576 -6.133 1.00 0.00 H new ATOM 0 HB ILE A 98 8.338 12.930 -4.609 1.00 0.00 H new ATOM 0 HG12 ILE A 98 5.810 13.117 -5.652 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.692 13.953 -6.914 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.338 13.844 -3.460 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.755 14.889 -3.201 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.504 15.361 -4.376 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.569 11.524 -7.395 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.256 12.019 -7.123 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.360 11.169 -5.841 1.00 0.00 H new ATOM 1582 N GLU A 99 9.587 16.444 -4.205 1.00 0.00 N ATOM 1583 CA GLU A 99 10.525 17.020 -3.210 1.00 0.00 C ATOM 1584 C GLU A 99 10.361 16.300 -1.873 1.00 0.00 C ATOM 1585 O GLU A 99 9.276 16.209 -1.332 1.00 0.00 O ATOM 1586 CB GLU A 99 10.220 18.511 -3.034 1.00 0.00 C ATOM 1587 CG GLU A 99 11.271 19.159 -2.125 1.00 0.00 C ATOM 1588 CD GLU A 99 12.615 19.209 -2.855 1.00 0.00 C ATOM 1589 OE1 GLU A 99 12.640 18.901 -4.035 1.00 0.00 O ATOM 1590 OE2 GLU A 99 13.596 19.561 -2.222 1.00 0.00 O ATOM 0 H GLU A 99 8.805 17.046 -4.463 1.00 0.00 H new ATOM 0 HA GLU A 99 11.550 16.896 -3.559 1.00 0.00 H new ATOM 0 HB2 GLU A 99 10.213 19.006 -4.005 1.00 0.00 H new ATOM 0 HB3 GLU A 99 9.227 18.639 -2.604 1.00 0.00 H new ATOM 0 HG2 GLU A 99 10.957 20.166 -1.849 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.368 18.590 -1.200 1.00 0.00 H new