USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 748 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 9 HIS : no HE2:sc= -3.11 K(o=-3.5,f=-5.9!) USER MOD Set 1.2: A 65 TYR OH : rot 3:sc= -0.382 USER MOD Set 2.1: A 37 GLN :FLIP amide:sc= 0 F(o=-2.8,f=-2.1) USER MOD Set 2.2: A 69 GLN : amide:sc= -2.07 K(o=-2.1,f=-3!) USER MOD Single : A 6 TYR OH : rot 180:sc= -0.0839 USER MOD Single : A 10 THR OG1 : rot -140:sc= -2.06 USER MOD Single : A 14 GLN : amide:sc= -0.253 K(o=-0.25,f=-1.7!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN :FLIP amide:sc= 0.608 F(o=-0.0017,f=0.61) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.33) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0366 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0.0703 (180deg=0.0703) USER MOD Single : A 70 MET CE :methyl -144:sc= -0.177 (180deg=-2.07) USER MOD Single : A 79 ASN : amide:sc= -7.78! C(o=-7.8!,f=-16!) USER MOD Single : A 88 THR OG1 : rot -21:sc= 0.635 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc=-0.00454 X(o=-0.0045,f=-0.054) USER MOD Single : A 116 SER OG : rot -59:sc= -1.49! USER MOD ----------------------------------------------------------------- ATOM 14 N ILE A 3 -0.165 8.009 -9.509 1.00 0.00 N ATOM 15 CA ILE A 3 0.361 7.716 -8.182 1.00 0.00 C ATOM 16 C ILE A 3 1.138 6.401 -8.182 1.00 0.00 C ATOM 17 O ILE A 3 1.488 5.884 -9.243 1.00 0.00 O ATOM 18 CB ILE A 3 -0.771 7.664 -7.132 1.00 0.00 C ATOM 19 CG1 ILE A 3 -1.618 6.399 -7.292 1.00 0.00 C ATOM 20 CG2 ILE A 3 -1.647 8.901 -7.249 1.00 0.00 C ATOM 21 CD1 ILE A 3 -2.354 6.325 -8.612 1.00 0.00 C ATOM 0 HA ILE A 3 1.042 8.523 -7.913 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.315 7.640 -6.142 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.973 5.526 -7.196 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.342 6.352 -6.479 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.442 8.855 -6.505 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.043 9.792 -7.080 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.085 8.944 -8.246 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.933 5.402 -8.655 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.025 7.179 -8.703 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.635 6.340 -9.431 1.00 0.00 H new ATOM 33 N GLU A 4 1.423 5.864 -6.996 1.00 0.00 N ATOM 34 CA GLU A 4 2.172 4.615 -6.900 1.00 0.00 C ATOM 35 C GLU A 4 1.864 3.854 -5.612 1.00 0.00 C ATOM 36 O GLU A 4 1.456 4.437 -4.601 1.00 0.00 O ATOM 37 CB GLU A 4 3.673 4.898 -6.987 1.00 0.00 C ATOM 38 CG GLU A 4 4.155 5.196 -8.397 1.00 0.00 C ATOM 39 CD GLU A 4 5.517 4.595 -8.688 1.00 0.00 C ATOM 40 OE1 GLU A 4 6.245 4.281 -7.724 1.00 0.00 O ATOM 41 OE2 GLU A 4 5.855 4.439 -9.880 1.00 0.00 O ATOM 0 H GLU A 4 1.150 6.269 -6.100 1.00 0.00 H new ATOM 0 HA GLU A 4 1.863 3.986 -7.735 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.913 5.745 -6.344 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.219 4.038 -6.599 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.431 4.809 -9.114 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.200 6.276 -8.541 1.00 0.00 H new ATOM 48 N TRP A 5 2.082 2.540 -5.661 1.00 0.00 N ATOM 49 CA TRP A 5 1.851 1.668 -4.515 1.00 0.00 C ATOM 50 C TRP A 5 3.148 1.445 -3.745 1.00 0.00 C ATOM 51 O TRP A 5 3.927 0.550 -4.073 1.00 0.00 O ATOM 52 CB TRP A 5 1.295 0.319 -4.977 1.00 0.00 C ATOM 53 CG TRP A 5 -0.129 0.376 -5.440 1.00 0.00 C ATOM 54 CD1 TRP A 5 -0.568 0.589 -6.714 1.00 0.00 C ATOM 55 CD2 TRP A 5 -1.299 0.210 -4.632 1.00 0.00 C ATOM 56 NE1 TRP A 5 -1.942 0.565 -6.750 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.413 0.333 -5.484 1.00 0.00 C ATOM 58 CE3 TRP A 5 -1.513 -0.032 -3.274 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -3.722 0.224 -5.016 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -2.810 -0.141 -2.813 1.00 0.00 C ATOM 61 CH2 TRP A 5 -3.900 -0.014 -3.682 1.00 0.00 C ATOM 0 H TRP A 5 2.421 2.055 -6.492 1.00 0.00 H new ATOM 0 HA TRP A 5 1.125 2.151 -3.860 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.916 -0.060 -5.789 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.372 -0.395 -4.157 1.00 0.00 H new ATOM 0 HD1 TRP A 5 0.071 0.753 -7.569 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.517 0.698 -7.582 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.679 -0.132 -2.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.565 0.324 -5.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -2.986 -0.327 -1.764 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -4.902 -0.106 -3.290 1.00 0.00 H new ATOM 72 N TYR A 6 3.379 2.263 -2.726 1.00 0.00 N ATOM 73 CA TYR A 6 4.587 2.148 -1.919 1.00 0.00 C ATOM 74 C TYR A 6 4.401 1.133 -0.797 1.00 0.00 C ATOM 75 O TYR A 6 3.675 1.382 0.165 1.00 0.00 O ATOM 76 CB TYR A 6 4.971 3.511 -1.341 1.00 0.00 C ATOM 77 CG TYR A 6 5.414 4.504 -2.389 1.00 0.00 C ATOM 78 CD1 TYR A 6 4.499 5.343 -3.011 1.00 0.00 C ATOM 79 CD2 TYR A 6 6.749 4.600 -2.761 1.00 0.00 C ATOM 80 CE1 TYR A 6 4.899 6.250 -3.974 1.00 0.00 C ATOM 81 CE2 TYR A 6 7.159 5.504 -3.722 1.00 0.00 C ATOM 82 CZ TYR A 6 6.232 6.327 -4.324 1.00 0.00 C ATOM 83 OH TYR A 6 6.635 7.230 -5.282 1.00 0.00 O ATOM 0 H TYR A 6 2.748 3.011 -2.439 1.00 0.00 H new ATOM 0 HA TYR A 6 5.393 1.798 -2.564 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.118 3.921 -0.800 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.774 3.377 -0.616 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.456 5.286 -2.737 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.479 3.957 -2.291 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.174 6.894 -4.449 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.201 5.565 -4.000 1.00 0.00 H new ATOM 0 HH TYR A 6 7.604 7.159 -5.412 1.00 0.00 H new ATOM 93 N ALA A 7 5.062 -0.012 -0.930 1.00 0.00 N ATOM 94 CA ALA A 7 4.970 -1.068 0.070 1.00 0.00 C ATOM 95 C ALA A 7 6.094 -0.956 1.091 1.00 0.00 C ATOM 96 O ALA A 7 7.235 -0.654 0.743 1.00 0.00 O ATOM 97 CB ALA A 7 4.999 -2.432 -0.602 1.00 0.00 C ATOM 0 H ALA A 7 5.667 -0.232 -1.721 1.00 0.00 H new ATOM 0 HA ALA A 7 4.023 -0.954 0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.930 -3.212 0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.157 -2.517 -1.289 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.931 -2.545 -1.155 1.00 0.00 H new ATOM 103 N VAL A 8 5.766 -1.202 2.355 1.00 0.00 N ATOM 104 CA VAL A 8 6.753 -1.129 3.426 1.00 0.00 C ATOM 105 C VAL A 8 6.669 -2.349 4.336 1.00 0.00 C ATOM 106 O VAL A 8 5.651 -3.039 4.374 1.00 0.00 O ATOM 107 CB VAL A 8 6.571 0.143 4.276 1.00 0.00 C ATOM 108 CG1 VAL A 8 7.756 0.336 5.208 1.00 0.00 C ATOM 109 CG2 VAL A 8 6.383 1.359 3.383 1.00 0.00 C ATOM 0 H VAL A 8 4.826 -1.453 2.662 1.00 0.00 H new ATOM 0 HA VAL A 8 7.733 -1.100 2.949 1.00 0.00 H new ATOM 0 HB VAL A 8 5.675 0.026 4.885 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.610 1.239 5.800 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.840 -0.524 5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.669 0.431 4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.256 2.248 4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.259 1.482 2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.499 1.220 2.761 1.00 0.00 H new ATOM 119 N HIS A 9 7.747 -2.609 5.069 1.00 0.00 N ATOM 120 CA HIS A 9 7.800 -3.745 5.980 1.00 0.00 C ATOM 121 C HIS A 9 7.193 -3.387 7.333 1.00 0.00 C ATOM 122 O HIS A 9 7.123 -2.216 7.701 1.00 0.00 O ATOM 123 CB HIS A 9 9.245 -4.211 6.162 1.00 0.00 C ATOM 124 CG HIS A 9 9.747 -5.055 5.032 1.00 0.00 C ATOM 125 ND1 HIS A 9 10.229 -6.334 5.205 1.00 0.00 N ATOM 126 CD2 HIS A 9 9.839 -4.795 3.706 1.00 0.00 C ATOM 127 CE1 HIS A 9 10.597 -6.825 4.035 1.00 0.00 C ATOM 128 NE2 HIS A 9 10.371 -5.913 3.109 1.00 0.00 N ATOM 0 H HIS A 9 8.597 -2.046 5.049 1.00 0.00 H new ATOM 0 HA HIS A 9 7.216 -4.556 5.545 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.889 -3.338 6.267 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.322 -4.778 7.090 1.00 0.00 H new ATOM 0 HD1 HIS A 9 10.292 -6.825 6.097 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.549 -3.880 3.210 1.00 0.00 H new ATOM 0 HE1 HIS A 9 11.013 -7.807 3.865 1.00 0.00 H new ATOM 137 N THR A 10 6.757 -4.406 8.067 1.00 0.00 N ATOM 138 CA THR A 10 6.156 -4.198 9.379 1.00 0.00 C ATOM 139 C THR A 10 6.336 -5.429 10.262 1.00 0.00 C ATOM 140 O THR A 10 6.706 -6.501 9.782 1.00 0.00 O ATOM 141 CB THR A 10 4.669 -3.873 9.236 1.00 0.00 C ATOM 142 OG1 THR A 10 3.935 -5.030 8.875 1.00 0.00 O ATOM 143 CG2 THR A 10 4.385 -2.808 8.200 1.00 0.00 C ATOM 0 H THR A 10 6.809 -5.382 7.776 1.00 0.00 H new ATOM 0 HA THR A 10 6.661 -3.356 9.853 1.00 0.00 H new ATOM 0 HB THR A 10 4.361 -3.498 10.212 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.250 -4.791 8.216 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.311 -2.626 8.150 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.897 -1.886 8.476 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.742 -3.143 7.226 1.00 0.00 H new ATOM 151 N LEU A 11 6.070 -5.268 11.553 1.00 0.00 N ATOM 152 CA LEU A 11 6.200 -6.367 12.504 1.00 0.00 C ATOM 153 C LEU A 11 4.982 -7.282 12.446 1.00 0.00 C ATOM 154 O LEU A 11 3.850 -6.818 12.307 1.00 0.00 O ATOM 155 CB LEU A 11 6.380 -5.820 13.923 1.00 0.00 C ATOM 156 CG LEU A 11 7.537 -6.439 14.713 1.00 0.00 C ATOM 157 CD1 LEU A 11 8.800 -5.609 14.545 1.00 0.00 C ATOM 158 CD2 LEU A 11 7.170 -6.563 16.184 1.00 0.00 C ATOM 0 H LEU A 11 5.763 -4.387 11.966 1.00 0.00 H new ATOM 0 HA LEU A 11 7.080 -6.950 12.233 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.535 -4.743 13.864 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.455 -5.979 14.478 1.00 0.00 H new ATOM 0 HG LEU A 11 7.728 -7.438 14.321 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.612 -6.063 15.113 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.072 -5.570 13.490 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.622 -4.598 14.911 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.003 -7.005 16.731 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.953 -5.575 16.589 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.291 -7.199 16.287 1.00 0.00 H new ATOM 170 N VAL A 12 5.220 -8.586 12.550 1.00 0.00 N ATOM 171 CA VAL A 12 4.142 -9.566 12.508 1.00 0.00 C ATOM 172 C VAL A 12 3.253 -9.459 13.744 1.00 0.00 C ATOM 173 O VAL A 12 3.722 -9.595 14.874 1.00 0.00 O ATOM 174 CB VAL A 12 4.695 -11.002 12.404 1.00 0.00 C ATOM 175 CG1 VAL A 12 5.547 -11.340 13.619 1.00 0.00 C ATOM 176 CG2 VAL A 12 3.559 -12.003 12.243 1.00 0.00 C ATOM 0 H VAL A 12 6.151 -8.988 12.664 1.00 0.00 H new ATOM 0 HA VAL A 12 3.548 -9.349 11.620 1.00 0.00 H new ATOM 0 HB VAL A 12 5.329 -11.062 11.519 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.927 -12.357 13.525 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.384 -10.644 13.682 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.941 -11.261 14.522 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.969 -13.010 12.171 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.895 -11.942 13.105 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.998 -11.774 11.337 1.00 0.00 H new ATOM 186 N GLY A 13 1.964 -9.216 13.519 1.00 0.00 N ATOM 187 CA GLY A 13 1.030 -9.096 14.622 1.00 0.00 C ATOM 188 C GLY A 13 0.740 -7.654 14.990 1.00 0.00 C ATOM 189 O GLY A 13 -0.301 -7.353 15.574 1.00 0.00 O ATOM 0 H GLY A 13 1.552 -9.100 12.593 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.097 -9.594 14.358 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.433 -9.615 15.492 1.00 0.00 H new ATOM 193 N GLN A 14 1.663 -6.759 14.650 1.00 0.00 N ATOM 194 CA GLN A 14 1.500 -5.342 14.951 1.00 0.00 C ATOM 195 C GLN A 14 0.862 -4.602 13.776 1.00 0.00 C ATOM 196 O GLN A 14 0.189 -3.589 13.962 1.00 0.00 O ATOM 197 CB GLN A 14 2.851 -4.713 15.293 1.00 0.00 C ATOM 198 CG GLN A 14 3.129 -4.643 16.785 1.00 0.00 C ATOM 199 CD GLN A 14 3.041 -3.232 17.331 1.00 0.00 C ATOM 200 OE1 GLN A 14 2.494 -2.337 16.683 1.00 0.00 O ATOM 201 NE2 GLN A 14 3.580 -3.024 18.526 1.00 0.00 N ATOM 0 H GLN A 14 2.531 -6.991 14.166 1.00 0.00 H new ATOM 0 HA GLN A 14 0.838 -5.254 15.812 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.642 -5.287 14.811 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.889 -3.706 14.877 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.417 -5.278 17.313 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.123 -5.044 16.984 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.023 -3.794 19.027 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.551 -2.094 18.943 1.00 0.00 H new ATOM 210 N GLU A 15 1.082 -5.114 12.569 1.00 0.00 N ATOM 211 CA GLU A 15 0.529 -4.497 11.367 1.00 0.00 C ATOM 212 C GLU A 15 -0.992 -4.413 11.445 1.00 0.00 C ATOM 213 O GLU A 15 -1.597 -3.467 10.940 1.00 0.00 O ATOM 214 CB GLU A 15 0.946 -5.288 10.125 1.00 0.00 C ATOM 215 CG GLU A 15 0.580 -6.761 10.190 1.00 0.00 C ATOM 216 CD GLU A 15 0.352 -7.367 8.819 1.00 0.00 C ATOM 217 OE1 GLU A 15 -0.484 -6.828 8.063 1.00 0.00 O ATOM 218 OE2 GLU A 15 1.008 -8.380 8.501 1.00 0.00 O ATOM 0 H GLU A 15 1.637 -5.952 12.397 1.00 0.00 H new ATOM 0 HA GLU A 15 0.925 -3.484 11.295 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.476 -4.844 9.247 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.024 -5.196 9.991 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.376 -7.307 10.697 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.322 -6.881 10.791 1.00 0.00 H new ATOM 225 N GLU A 16 -1.605 -5.407 12.081 1.00 0.00 N ATOM 226 CA GLU A 16 -3.057 -5.445 12.225 1.00 0.00 C ATOM 227 C GLU A 16 -3.572 -4.170 12.887 1.00 0.00 C ATOM 228 O GLU A 16 -4.612 -3.635 12.501 1.00 0.00 O ATOM 229 CB GLU A 16 -3.476 -6.666 13.046 1.00 0.00 C ATOM 230 CG GLU A 16 -4.706 -7.373 12.500 1.00 0.00 C ATOM 231 CD GLU A 16 -6.000 -6.789 13.033 1.00 0.00 C ATOM 232 OE1 GLU A 16 -6.010 -5.590 13.382 1.00 0.00 O ATOM 233 OE2 GLU A 16 -7.002 -7.530 13.100 1.00 0.00 O ATOM 0 H GLU A 16 -1.119 -6.197 12.505 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.495 -5.517 11.229 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.647 -7.372 13.081 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.672 -6.354 14.072 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.704 -7.309 11.412 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.656 -8.431 12.757 1.00 0.00 H new ATOM 240 N LYS A 17 -2.837 -3.688 13.882 1.00 0.00 N ATOM 241 CA LYS A 17 -3.218 -2.474 14.596 1.00 0.00 C ATOM 242 C LYS A 17 -2.614 -1.238 13.934 1.00 0.00 C ATOM 243 O LYS A 17 -3.133 -0.131 14.077 1.00 0.00 O ATOM 244 CB LYS A 17 -2.771 -2.557 16.057 1.00 0.00 C ATOM 245 CG LYS A 17 -3.787 -1.994 17.036 1.00 0.00 C ATOM 246 CD LYS A 17 -3.347 -2.201 18.477 1.00 0.00 C ATOM 247 CE LYS A 17 -4.528 -2.518 19.381 1.00 0.00 C ATOM 248 NZ LYS A 17 -4.311 -2.029 20.769 1.00 0.00 N ATOM 0 H LYS A 17 -1.974 -4.119 14.213 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.304 -2.386 14.560 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.574 -3.599 16.309 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.831 -2.018 16.172 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.926 -0.930 16.846 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.752 -2.475 16.877 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.623 -3.014 18.524 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.843 -1.304 18.837 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.430 -2.063 18.973 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.694 -3.595 19.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.138 -2.265 21.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.465 -2.482 21.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.178 -0.998 20.757 1.00 0.00 H new ATOM 262 N ALA A 18 -1.515 -1.433 13.210 1.00 0.00 N ATOM 263 CA ALA A 18 -0.845 -0.332 12.529 1.00 0.00 C ATOM 264 C ALA A 18 -1.776 0.348 11.532 1.00 0.00 C ATOM 265 O ALA A 18 -1.720 1.563 11.344 1.00 0.00 O ATOM 266 CB ALA A 18 0.409 -0.833 11.826 1.00 0.00 C ATOM 0 H ALA A 18 -1.071 -2.342 13.081 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.560 0.406 13.279 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.900 -0.001 11.321 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.090 -1.265 12.560 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.136 -1.592 11.093 1.00 0.00 H new ATOM 272 N LYS A 19 -2.632 -0.443 10.893 1.00 0.00 N ATOM 273 CA LYS A 19 -3.576 0.084 9.914 1.00 0.00 C ATOM 274 C LYS A 19 -4.493 1.126 10.548 1.00 0.00 C ATOM 275 O LYS A 19 -4.558 2.267 10.095 1.00 0.00 O ATOM 276 CB LYS A 19 -4.411 -1.050 9.316 1.00 0.00 C ATOM 277 CG LYS A 19 -4.883 -0.774 7.899 1.00 0.00 C ATOM 278 CD LYS A 19 -5.453 -2.025 7.250 1.00 0.00 C ATOM 279 CE LYS A 19 -6.970 -2.052 7.331 1.00 0.00 C ATOM 280 NZ LYS A 19 -7.600 -1.256 6.240 1.00 0.00 N ATOM 0 H LYS A 19 -2.691 -1.451 11.036 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.005 0.564 9.119 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.821 -1.967 9.322 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.279 -1.225 9.952 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.642 0.008 7.913 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.050 -0.400 7.303 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.142 -2.068 6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.046 -2.909 7.741 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.318 -3.083 7.275 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.289 -1.660 8.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.635 -1.300 6.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.288 -0.266 6.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.317 -1.645 5.318 1.00 0.00 H new ATOM 294 N ALA A 20 -5.200 0.722 11.599 1.00 0.00 N ATOM 295 CA ALA A 20 -6.113 1.622 12.294 1.00 0.00 C ATOM 296 C ALA A 20 -5.366 2.816 12.877 1.00 0.00 C ATOM 297 O ALA A 20 -5.841 3.949 12.817 1.00 0.00 O ATOM 298 CB ALA A 20 -6.854 0.874 13.393 1.00 0.00 C ATOM 0 H ALA A 20 -5.158 -0.220 11.987 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.838 1.997 11.571 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.532 1.557 13.904 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.425 0.056 12.955 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.136 0.473 14.108 1.00 0.00 H new ATOM 304 N ASN A 21 -4.191 2.554 13.442 1.00 0.00 N ATOM 305 CA ASN A 21 -3.375 3.607 14.034 1.00 0.00 C ATOM 306 C ASN A 21 -2.896 4.587 12.967 1.00 0.00 C ATOM 307 O ASN A 21 -2.893 5.799 13.179 1.00 0.00 O ATOM 308 CB ASN A 21 -2.176 3.003 14.764 1.00 0.00 C ATOM 309 CG ASN A 21 -2.529 2.516 16.156 1.00 0.00 C ATOM 310 OD1 ASN A 21 -2.795 3.452 17.060 1.00 0.00 O flip ATOM 311 ND2 ASN A 21 -2.566 1.314 16.416 1.00 0.00 N flip ATOM 0 H ASN A 21 -3.783 1.621 13.502 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.991 4.150 14.751 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.781 2.171 14.181 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.384 3.748 14.833 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.354 0.629 15.691 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.808 1.003 17.357 1.00 0.00 H new ATOM 318 N LEU A 22 -2.492 4.051 11.820 1.00 0.00 N ATOM 319 CA LEU A 22 -2.012 4.877 10.719 1.00 0.00 C ATOM 320 C LEU A 22 -3.137 5.742 10.159 1.00 0.00 C ATOM 321 O LEU A 22 -3.010 6.964 10.073 1.00 0.00 O ATOM 322 CB LEU A 22 -1.428 3.994 9.612 1.00 0.00 C ATOM 323 CG LEU A 22 -1.017 4.733 8.337 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.061 5.761 8.640 1.00 0.00 C ATOM 325 CD2 LEU A 22 -0.535 3.747 7.283 1.00 0.00 C ATOM 0 H LEU A 22 -2.488 3.049 11.629 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.230 5.534 11.100 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.556 3.472 10.007 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.163 3.233 9.351 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.889 5.257 7.945 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.341 6.277 7.721 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.319 6.485 9.361 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.935 5.260 9.055 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.247 4.289 6.382 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.324 3.196 7.666 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.337 3.048 7.045 1.00 0.00 H new ATOM 337 N GLU A 23 -4.238 5.101 9.779 1.00 0.00 N ATOM 338 CA GLU A 23 -5.386 5.811 9.227 1.00 0.00 C ATOM 339 C GLU A 23 -5.856 6.911 10.176 1.00 0.00 C ATOM 340 O GLU A 23 -6.321 7.964 9.738 1.00 0.00 O ATOM 341 CB GLU A 23 -6.532 4.836 8.952 1.00 0.00 C ATOM 342 CG GLU A 23 -6.334 4.005 7.694 1.00 0.00 C ATOM 343 CD GLU A 23 -7.524 4.073 6.757 1.00 0.00 C ATOM 344 OE1 GLU A 23 -7.834 5.181 6.270 1.00 0.00 O ATOM 345 OE2 GLU A 23 -8.146 3.019 6.511 1.00 0.00 O ATOM 0 H GLU A 23 -4.359 4.090 9.843 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.077 6.273 8.289 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.642 4.167 9.806 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.462 5.397 8.864 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.443 4.352 7.170 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.155 2.967 7.973 1.00 0.00 H new ATOM 352 N LYS A 24 -5.732 6.659 11.475 1.00 0.00 N ATOM 353 CA LYS A 24 -6.144 7.629 12.482 1.00 0.00 C ATOM 354 C LYS A 24 -5.242 8.857 12.454 1.00 0.00 C ATOM 355 O LYS A 24 -5.718 9.990 12.522 1.00 0.00 O ATOM 356 CB LYS A 24 -6.118 6.993 13.874 1.00 0.00 C ATOM 357 CG LYS A 24 -7.408 6.282 14.243 1.00 0.00 C ATOM 358 CD LYS A 24 -8.543 7.268 14.468 1.00 0.00 C ATOM 359 CE LYS A 24 -9.898 6.622 14.227 1.00 0.00 C ATOM 360 NZ LYS A 24 -10.258 5.667 15.310 1.00 0.00 N ATOM 0 H LYS A 24 -5.350 5.793 11.854 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.162 7.943 12.253 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.294 6.281 13.923 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.915 7.767 14.614 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.681 5.586 13.450 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.254 5.691 15.146 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.497 7.651 15.488 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.422 8.122 13.801 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.662 7.396 14.157 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.886 6.099 13.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.188 5.248 15.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.543 4.914 15.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.295 6.171 16.219 1.00 0.00 H new ATOM 374 N ARG A 25 -3.939 8.625 12.349 1.00 0.00 N ATOM 375 CA ARG A 25 -2.971 9.715 12.308 1.00 0.00 C ATOM 376 C ARG A 25 -3.083 10.481 10.993 1.00 0.00 C ATOM 377 O ARG A 25 -3.023 11.711 10.973 1.00 0.00 O ATOM 378 CB ARG A 25 -1.551 9.174 12.480 1.00 0.00 C ATOM 379 CG ARG A 25 -1.055 9.215 13.916 1.00 0.00 C ATOM 380 CD ARG A 25 -1.905 8.340 14.823 1.00 0.00 C ATOM 381 NE ARG A 25 -1.822 8.758 16.221 1.00 0.00 N ATOM 382 CZ ARG A 25 -0.743 8.594 16.982 1.00 0.00 C ATOM 383 NH1 ARG A 25 0.347 8.021 16.485 1.00 0.00 N ATOM 384 NH2 ARG A 25 -0.752 9.004 18.243 1.00 0.00 N ATOM 0 H ARG A 25 -3.528 7.693 12.291 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.189 10.398 13.129 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.517 8.145 12.122 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.872 9.752 11.853 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.018 8.881 13.954 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.072 10.243 14.279 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.944 8.378 14.494 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.580 7.303 14.735 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.640 9.202 16.638 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.360 7.704 15.516 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.171 7.898 17.073 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.586 9.445 18.630 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.075 8.878 18.826 1.00 0.00 H new ATOM 398 N ILE A 26 -3.251 9.746 9.901 1.00 0.00 N ATOM 399 CA ILE A 26 -3.375 10.352 8.582 1.00 0.00 C ATOM 400 C ILE A 26 -4.709 11.086 8.443 1.00 0.00 C ATOM 401 O ILE A 26 -4.828 12.034 7.666 1.00 0.00 O ATOM 402 CB ILE A 26 -3.233 9.286 7.465 1.00 0.00 C ATOM 403 CG1 ILE A 26 -1.754 8.979 7.202 1.00 0.00 C ATOM 404 CG2 ILE A 26 -3.909 9.741 6.176 1.00 0.00 C ATOM 405 CD1 ILE A 26 -0.923 8.818 8.458 1.00 0.00 C ATOM 0 H ILE A 26 -3.305 8.727 9.903 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.567 11.076 8.473 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.730 8.378 7.808 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.683 8.065 6.613 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.329 9.781 6.599 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.792 8.972 5.413 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.970 9.910 6.361 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.449 10.667 5.831 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.110 8.603 8.186 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.961 9.739 9.040 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.320 7.996 9.054 1.00 0.00 H new ATOM 417 N LYS A 27 -5.710 10.646 9.202 1.00 0.00 N ATOM 418 CA LYS A 27 -7.028 11.271 9.158 1.00 0.00 C ATOM 419 C LYS A 27 -7.149 12.355 10.222 1.00 0.00 C ATOM 420 O LYS A 27 -7.848 13.351 10.032 1.00 0.00 O ATOM 421 CB LYS A 27 -8.121 10.220 9.353 1.00 0.00 C ATOM 422 CG LYS A 27 -8.388 9.388 8.109 1.00 0.00 C ATOM 423 CD LYS A 27 -9.878 9.211 7.863 1.00 0.00 C ATOM 424 CE LYS A 27 -10.513 10.491 7.342 1.00 0.00 C ATOM 425 NZ LYS A 27 -11.979 10.529 7.598 1.00 0.00 N ATOM 0 H LYS A 27 -5.634 9.863 9.851 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.152 11.734 8.179 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.836 9.557 10.170 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.043 10.717 9.653 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.930 9.868 7.244 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.918 8.411 8.216 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.036 8.407 7.145 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.368 8.912 8.790 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.039 11.350 7.817 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.329 10.577 6.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.373 11.417 7.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.435 9.724 7.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.154 10.473 8.622 1.00 0.00 H new ATOM 439 N ALA A 28 -6.462 12.156 11.341 1.00 0.00 N ATOM 440 CA ALA A 28 -6.490 13.118 12.436 1.00 0.00 C ATOM 441 C ALA A 28 -5.792 14.414 12.039 1.00 0.00 C ATOM 442 O ALA A 28 -6.135 15.491 12.528 1.00 0.00 O ATOM 443 CB ALA A 28 -5.841 12.525 13.677 1.00 0.00 C ATOM 0 H ALA A 28 -5.879 11.337 11.514 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.531 13.348 12.661 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.869 13.255 14.486 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.383 11.628 13.978 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.805 12.266 13.458 1.00 0.00 H new ATOM 449 N PHE A 29 -4.810 14.301 11.150 1.00 0.00 N ATOM 450 CA PHE A 29 -4.062 15.463 10.685 1.00 0.00 C ATOM 451 C PHE A 29 -4.551 15.911 9.310 1.00 0.00 C ATOM 452 O PHE A 29 -4.433 17.083 8.951 1.00 0.00 O ATOM 453 CB PHE A 29 -2.566 15.144 10.631 1.00 0.00 C ATOM 454 CG PHE A 29 -1.940 14.978 11.986 1.00 0.00 C ATOM 455 CD1 PHE A 29 -1.952 16.018 12.901 1.00 0.00 C ATOM 456 CD2 PHE A 29 -1.339 13.782 12.345 1.00 0.00 C ATOM 457 CE1 PHE A 29 -1.377 15.869 14.150 1.00 0.00 C ATOM 458 CE2 PHE A 29 -0.762 13.626 13.591 1.00 0.00 C ATOM 459 CZ PHE A 29 -0.781 14.672 14.495 1.00 0.00 C ATOM 0 H PHE A 29 -4.514 13.416 10.737 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.227 16.277 11.391 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.418 14.230 10.057 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.051 15.943 10.097 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.416 16.957 12.636 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.321 12.962 11.642 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.394 16.687 14.854 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.297 12.689 13.858 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.330 14.553 15.469 1.00 0.00 H new ATOM 469 N GLY A 30 -5.100 14.972 8.544 1.00 0.00 N ATOM 470 CA GLY A 30 -5.598 15.296 7.219 1.00 0.00 C ATOM 471 C GLY A 30 -4.540 15.133 6.145 1.00 0.00 C ATOM 472 O GLY A 30 -3.914 16.108 5.729 1.00 0.00 O ATOM 0 H GLY A 30 -5.209 13.995 8.817 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.448 14.655 6.987 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.962 16.323 7.213 1.00 0.00 H new ATOM 476 N LEU A 31 -4.341 13.899 5.696 1.00 0.00 N ATOM 477 CA LEU A 31 -3.353 13.610 4.662 1.00 0.00 C ATOM 478 C LEU A 31 -3.929 12.672 3.605 1.00 0.00 C ATOM 479 O LEU A 31 -3.205 11.876 3.006 1.00 0.00 O ATOM 480 CB LEU A 31 -2.100 12.992 5.284 1.00 0.00 C ATOM 481 CG LEU A 31 -1.569 13.714 6.524 1.00 0.00 C ATOM 482 CD1 LEU A 31 -0.985 12.718 7.517 1.00 0.00 C ATOM 483 CD2 LEU A 31 -0.527 14.750 6.127 1.00 0.00 C ATOM 0 H LEU A 31 -4.851 13.082 6.032 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.084 14.549 4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.317 11.957 5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.313 12.969 4.531 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.400 14.227 7.007 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.613 13.252 8.392 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.758 12.014 7.824 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.165 12.175 7.048 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.158 15.256 7.019 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.302 14.256 5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.978 15.481 5.456 1.00 0.00 H new ATOM 495 N GLN A 32 -5.235 12.775 3.382 1.00 0.00 N ATOM 496 CA GLN A 32 -5.911 11.936 2.397 1.00 0.00 C ATOM 497 C GLN A 32 -5.642 12.415 0.970 1.00 0.00 C ATOM 498 O GLN A 32 -6.121 11.813 0.008 1.00 0.00 O ATOM 499 CB GLN A 32 -7.418 11.918 2.663 1.00 0.00 C ATOM 500 CG GLN A 32 -8.060 10.562 2.424 1.00 0.00 C ATOM 501 CD GLN A 32 -8.142 9.725 3.687 1.00 0.00 C ATOM 502 OE1 GLN A 32 -9.220 9.530 4.249 1.00 0.00 O ATOM 503 NE2 GLN A 32 -6.998 9.225 4.140 1.00 0.00 N ATOM 0 H GLN A 32 -5.847 13.430 3.869 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.513 10.926 2.495 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.600 12.221 3.694 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.901 12.657 2.024 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -9.063 10.705 2.021 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.488 10.021 1.670 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.127 9.412 3.643 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.990 8.654 4.985 1.00 0.00 H new ATOM 512 N ASP A 33 -4.878 13.496 0.832 1.00 0.00 N ATOM 513 CA ASP A 33 -4.557 14.039 -0.482 1.00 0.00 C ATOM 514 C ASP A 33 -3.431 13.246 -1.140 1.00 0.00 C ATOM 515 O ASP A 33 -3.302 13.234 -2.363 1.00 0.00 O ATOM 516 CB ASP A 33 -4.156 15.512 -0.363 1.00 0.00 C ATOM 517 CG ASP A 33 -5.353 16.440 -0.393 1.00 0.00 C ATOM 518 OD1 ASP A 33 -6.329 16.177 0.342 1.00 0.00 O ATOM 519 OD2 ASP A 33 -5.317 17.433 -1.151 1.00 0.00 O ATOM 0 H ASP A 33 -4.471 14.011 1.613 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.446 13.959 -1.107 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.606 15.662 0.566 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.480 15.769 -1.178 1.00 0.00 H new ATOM 524 N LYS A 34 -2.622 12.577 -0.323 1.00 0.00 N ATOM 525 CA LYS A 34 -1.512 11.778 -0.833 1.00 0.00 C ATOM 526 C LYS A 34 -1.824 10.289 -0.721 1.00 0.00 C ATOM 527 O LYS A 34 -1.733 9.552 -1.703 1.00 0.00 O ATOM 528 CB LYS A 34 -0.226 12.111 -0.076 1.00 0.00 C ATOM 529 CG LYS A 34 0.532 13.290 -0.663 1.00 0.00 C ATOM 530 CD LYS A 34 1.358 14.008 0.392 1.00 0.00 C ATOM 531 CE LYS A 34 0.708 15.316 0.814 1.00 0.00 C ATOM 532 NZ LYS A 34 1.162 16.458 -0.027 1.00 0.00 N ATOM 0 H LYS A 34 -2.714 12.572 0.693 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.370 12.020 -1.886 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.471 12.328 0.964 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.423 11.235 -0.075 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.186 12.941 -1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.173 13.990 -1.111 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.478 13.363 1.262 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.356 14.206 0.001 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.376 15.222 0.744 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.944 15.518 1.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.696 17.331 0.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.193 16.564 0.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.914 16.277 -1.021 1.00 0.00 H new ATOM 546 N ILE A 35 -2.201 9.854 0.476 1.00 0.00 N ATOM 547 CA ILE A 35 -2.538 8.454 0.707 1.00 0.00 C ATOM 548 C ILE A 35 -3.954 8.164 0.224 1.00 0.00 C ATOM 549 O ILE A 35 -4.923 8.691 0.769 1.00 0.00 O ATOM 550 CB ILE A 35 -2.427 8.083 2.198 1.00 0.00 C ATOM 551 CG1 ILE A 35 -1.088 8.555 2.766 1.00 0.00 C ATOM 552 CG2 ILE A 35 -2.588 6.582 2.384 1.00 0.00 C ATOM 553 CD1 ILE A 35 -1.021 8.509 4.276 1.00 0.00 C ATOM 0 H ILE A 35 -2.281 10.449 1.300 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.824 7.851 0.145 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.227 8.585 2.742 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.290 7.935 2.356 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.901 9.576 2.433 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.507 6.336 3.443 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.565 6.272 2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.807 6.061 1.830 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.043 8.858 4.608 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.796 9.151 4.694 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.176 7.485 4.616 1.00 0.00 H new ATOM 565 N PHE A 36 -4.067 7.340 -0.813 1.00 0.00 N ATOM 566 CA PHE A 36 -5.370 7.005 -1.375 1.00 0.00 C ATOM 567 C PHE A 36 -5.787 5.577 -1.040 1.00 0.00 C ATOM 568 O PHE A 36 -6.863 5.355 -0.483 1.00 0.00 O ATOM 569 CB PHE A 36 -5.356 7.196 -2.892 1.00 0.00 C ATOM 570 CG PHE A 36 -4.724 8.488 -3.327 1.00 0.00 C ATOM 571 CD1 PHE A 36 -5.325 9.701 -3.036 1.00 0.00 C ATOM 572 CD2 PHE A 36 -3.529 8.486 -4.025 1.00 0.00 C ATOM 573 CE1 PHE A 36 -4.744 10.891 -3.434 1.00 0.00 C ATOM 574 CE2 PHE A 36 -2.942 9.670 -4.426 1.00 0.00 C ATOM 575 CZ PHE A 36 -3.551 10.876 -4.130 1.00 0.00 C ATOM 0 H PHE A 36 -3.277 6.894 -1.279 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.099 7.679 -0.926 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.819 6.365 -3.350 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.380 7.158 -3.265 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.258 9.718 -2.492 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.050 7.547 -4.259 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.222 11.831 -3.201 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.009 9.654 -4.970 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.095 11.804 -4.442 1.00 0.00 H new ATOM 585 N GLN A 37 -4.951 4.607 -1.398 1.00 0.00 N ATOM 586 CA GLN A 37 -5.276 3.205 -1.143 1.00 0.00 C ATOM 587 C GLN A 37 -4.340 2.565 -0.121 1.00 0.00 C ATOM 588 O GLN A 37 -3.252 3.072 0.157 1.00 0.00 O ATOM 589 CB GLN A 37 -5.235 2.408 -2.447 1.00 0.00 C ATOM 590 CG GLN A 37 -5.923 3.103 -3.610 1.00 0.00 C ATOM 591 CD GLN A 37 -6.894 2.197 -4.340 1.00 0.00 C ATOM 592 OE1 GLN A 37 -6.504 1.742 -5.524 1.00 0.00 O flip ATOM 593 NE2 GLN A 37 -7.986 1.909 -3.845 1.00 0.00 N flip ATOM 0 H GLN A 37 -4.055 4.761 -1.860 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.283 3.183 -0.725 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.195 2.217 -2.713 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.706 1.438 -2.285 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.457 3.979 -3.241 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.169 3.461 -4.311 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.246 2.281 -2.932 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.629 1.299 -4.349 1.00 0.00 H new ATOM 602 N VAL A 38 -4.786 1.437 0.424 1.00 0.00 N ATOM 603 CA VAL A 38 -4.023 0.682 1.411 1.00 0.00 C ATOM 604 C VAL A 38 -4.535 -0.757 1.470 1.00 0.00 C ATOM 605 O VAL A 38 -5.291 -1.124 2.369 1.00 0.00 O ATOM 606 CB VAL A 38 -4.119 1.322 2.812 1.00 0.00 C ATOM 607 CG1 VAL A 38 -5.570 1.427 3.256 1.00 0.00 C ATOM 608 CG2 VAL A 38 -3.299 0.531 3.823 1.00 0.00 C ATOM 0 H VAL A 38 -5.688 1.021 0.193 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.977 0.692 1.105 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.707 2.330 2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.616 1.881 4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.123 2.044 2.548 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.012 0.431 3.292 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.381 0.999 4.804 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.675 -0.491 3.876 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.254 0.518 3.513 1.00 0.00 H new ATOM 618 N LEU A 39 -4.141 -1.557 0.484 1.00 0.00 N ATOM 619 CA LEU A 39 -4.580 -2.946 0.393 1.00 0.00 C ATOM 620 C LEU A 39 -3.653 -3.899 1.142 1.00 0.00 C ATOM 621 O LEU A 39 -2.548 -3.535 1.544 1.00 0.00 O ATOM 622 CB LEU A 39 -4.673 -3.364 -1.076 1.00 0.00 C ATOM 623 CG LEU A 39 -5.992 -3.015 -1.765 1.00 0.00 C ATOM 624 CD1 LEU A 39 -7.146 -3.765 -1.119 1.00 0.00 C ATOM 625 CD2 LEU A 39 -6.236 -1.512 -1.714 1.00 0.00 C ATOM 0 H LEU A 39 -3.515 -1.265 -0.267 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.561 -3.008 0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.858 -2.892 -1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.520 -4.441 -1.142 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.927 -3.319 -2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.077 -3.504 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.976 -4.838 -1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.214 -3.491 -0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.179 -1.279 -2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.281 -1.186 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.422 -0.994 -2.222 1.00 0.00 H new ATOM 637 N ILE A 40 -4.126 -5.132 1.311 1.00 0.00 N ATOM 638 CA ILE A 40 -3.373 -6.176 1.995 1.00 0.00 C ATOM 639 C ILE A 40 -3.849 -7.553 1.532 1.00 0.00 C ATOM 640 O ILE A 40 -4.562 -8.254 2.251 1.00 0.00 O ATOM 641 CB ILE A 40 -3.520 -6.066 3.528 1.00 0.00 C ATOM 642 CG1 ILE A 40 -2.701 -7.155 4.227 1.00 0.00 C ATOM 643 CG2 ILE A 40 -4.984 -6.155 3.930 1.00 0.00 C ATOM 644 CD1 ILE A 40 -1.940 -6.656 5.436 1.00 0.00 C ATOM 0 H ILE A 40 -5.042 -5.433 0.977 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.320 -6.047 1.743 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.136 -5.095 3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.369 -7.960 4.535 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.995 -7.582 3.514 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.069 -6.076 5.014 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.540 -5.343 3.462 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.394 -7.111 3.603 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.383 -7.480 5.881 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.247 -5.872 5.131 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.642 -6.256 6.168 1.00 0.00 H new ATOM 656 N PRO A 41 -3.470 -7.948 0.303 1.00 0.00 N ATOM 657 CA PRO A 41 -3.865 -9.231 -0.288 1.00 0.00 C ATOM 658 C PRO A 41 -3.796 -10.405 0.684 1.00 0.00 C ATOM 659 O PRO A 41 -2.772 -10.643 1.332 1.00 0.00 O ATOM 660 CB PRO A 41 -2.855 -9.408 -1.417 1.00 0.00 C ATOM 661 CG PRO A 41 -2.549 -8.020 -1.857 1.00 0.00 C ATOM 662 CD PRO A 41 -2.634 -7.157 -0.624 1.00 0.00 C ATOM 0 HA PRO A 41 -4.907 -9.219 -0.608 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.958 -9.923 -1.072 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.269 -10.002 -2.232 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.556 -7.964 -2.303 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.258 -7.687 -2.614 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.647 -6.961 -0.204 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.085 -6.189 -0.843 1.00 0.00 H new ATOM 670 N THR A 42 -4.902 -11.144 0.758 1.00 0.00 N ATOM 671 CA THR A 42 -5.004 -12.313 1.624 1.00 0.00 C ATOM 672 C THR A 42 -5.678 -13.465 0.885 1.00 0.00 C ATOM 673 O THR A 42 -6.359 -13.258 -0.118 1.00 0.00 O ATOM 674 CB THR A 42 -5.791 -11.981 2.898 1.00 0.00 C ATOM 675 OG1 THR A 42 -6.371 -13.148 3.452 1.00 0.00 O ATOM 676 CG2 THR A 42 -6.904 -10.977 2.678 1.00 0.00 C ATOM 0 H THR A 42 -5.747 -10.949 0.222 1.00 0.00 H new ATOM 0 HA THR A 42 -3.995 -12.613 1.906 1.00 0.00 H new ATOM 0 HB THR A 42 -5.059 -11.543 3.576 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.866 -12.913 4.264 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.417 -10.790 3.621 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.483 -10.044 2.303 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.613 -11.373 1.951 1.00 0.00 H new ATOM 948 N LYS A 59 -6.325 -15.740 4.735 1.00 0.00 N ATOM 949 CA LYS A 59 -4.937 -16.045 5.057 1.00 0.00 C ATOM 950 C LYS A 59 -4.007 -15.046 4.378 1.00 0.00 C ATOM 951 O LYS A 59 -3.713 -15.174 3.190 1.00 0.00 O ATOM 952 CB LYS A 59 -4.586 -17.465 4.608 1.00 0.00 C ATOM 953 CG LYS A 59 -3.539 -18.139 5.475 1.00 0.00 C ATOM 954 CD LYS A 59 -4.163 -19.149 6.424 1.00 0.00 C ATOM 955 CE LYS A 59 -3.250 -19.444 7.603 1.00 0.00 C ATOM 956 NZ LYS A 59 -3.407 -20.841 8.092 1.00 0.00 N ATOM 0 HA LYS A 59 -4.810 -15.974 6.137 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.492 -18.071 4.610 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.227 -17.433 3.579 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.808 -18.639 4.840 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.000 -17.385 6.049 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.117 -18.767 6.788 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.374 -20.073 5.886 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.214 -19.276 7.310 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.468 -18.749 8.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.767 -21.001 8.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.390 -20.994 8.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.174 -21.505 7.326 1.00 0.00 H new ATOM 970 N LYS A 60 -3.558 -14.047 5.134 1.00 0.00 N ATOM 971 CA LYS A 60 -2.672 -13.010 4.603 1.00 0.00 C ATOM 972 C LYS A 60 -1.662 -13.583 3.609 1.00 0.00 C ATOM 973 O LYS A 60 -0.937 -14.529 3.917 1.00 0.00 O ATOM 974 CB LYS A 60 -1.936 -12.308 5.745 1.00 0.00 C ATOM 975 CG LYS A 60 -1.739 -10.819 5.517 1.00 0.00 C ATOM 976 CD LYS A 60 -1.599 -10.067 6.831 1.00 0.00 C ATOM 977 CE LYS A 60 -2.947 -9.581 7.340 1.00 0.00 C ATOM 978 NZ LYS A 60 -2.842 -8.975 8.697 1.00 0.00 N ATOM 0 H LYS A 60 -3.793 -13.932 6.120 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.293 -12.288 4.072 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.494 -12.455 6.670 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.962 -12.778 5.882 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.850 -10.658 4.908 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.585 -10.421 4.957 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.140 -10.717 7.576 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.932 -9.216 6.695 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.354 -8.847 6.645 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.647 -10.416 7.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.782 -8.656 9.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.477 -9.683 9.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.194 -8.162 8.665 1.00 0.00 H new ATOM 992 N LEU A 61 -1.626 -12.999 2.415 1.00 0.00 N ATOM 993 CA LEU A 61 -0.713 -13.442 1.371 1.00 0.00 C ATOM 994 C LEU A 61 0.610 -12.695 1.464 1.00 0.00 C ATOM 995 O LEU A 61 1.672 -13.255 1.190 1.00 0.00 O ATOM 996 CB LEU A 61 -1.339 -13.228 -0.009 1.00 0.00 C ATOM 997 CG LEU A 61 -2.307 -14.323 -0.456 1.00 0.00 C ATOM 998 CD1 LEU A 61 -3.244 -13.800 -1.532 1.00 0.00 C ATOM 999 CD2 LEU A 61 -1.542 -15.537 -0.958 1.00 0.00 C ATOM 0 H LEU A 61 -2.222 -12.215 2.148 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.523 -14.506 1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.868 -12.275 -0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.540 -13.148 -0.746 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.906 -14.625 0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.926 -14.594 -1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.817 -12.961 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.662 -13.470 -2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.247 -16.307 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.918 -15.249 -1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.912 -15.926 -0.158 1.00 0.00 H new ATOM 1011 N PHE A 62 0.538 -11.427 1.854 1.00 0.00 N ATOM 1012 CA PHE A 62 1.736 -10.603 1.989 1.00 0.00 C ATOM 1013 C PHE A 62 1.943 -10.170 3.439 1.00 0.00 C ATOM 1014 O PHE A 62 1.595 -9.051 3.816 1.00 0.00 O ATOM 1015 CB PHE A 62 1.637 -9.371 1.087 1.00 0.00 C ATOM 1016 CG PHE A 62 1.571 -9.703 -0.377 1.00 0.00 C ATOM 1017 CD1 PHE A 62 2.624 -10.348 -1.003 1.00 0.00 C ATOM 1018 CD2 PHE A 62 0.453 -9.369 -1.125 1.00 0.00 C ATOM 1019 CE1 PHE A 62 2.564 -10.654 -2.351 1.00 0.00 C ATOM 1020 CE2 PHE A 62 0.388 -9.674 -2.471 1.00 0.00 C ATOM 1021 CZ PHE A 62 1.444 -10.317 -3.085 1.00 0.00 C ATOM 0 H PHE A 62 -0.333 -10.948 2.082 1.00 0.00 H new ATOM 0 HA PHE A 62 2.593 -11.203 1.683 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.750 -8.800 1.362 1.00 0.00 H new ATOM 0 HB3 PHE A 62 2.499 -8.729 1.267 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.502 -10.615 -0.433 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.376 -8.865 -0.651 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.392 -11.156 -2.829 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.489 -9.409 -3.043 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.394 -10.556 -4.137 1.00 0.00 H new ATOM 1031 N PRO A 63 2.517 -11.054 4.278 1.00 0.00 N ATOM 1032 CA PRO A 63 2.770 -10.755 5.692 1.00 0.00 C ATOM 1033 C PRO A 63 3.759 -9.609 5.867 1.00 0.00 C ATOM 1034 O PRO A 63 4.702 -9.465 5.088 1.00 0.00 O ATOM 1035 CB PRO A 63 3.363 -12.058 6.247 1.00 0.00 C ATOM 1036 CG PRO A 63 3.017 -13.106 5.245 1.00 0.00 C ATOM 1037 CD PRO A 63 2.965 -12.409 3.918 1.00 0.00 C ATOM 0 HA PRO A 63 1.862 -10.439 6.205 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.443 -11.976 6.374 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.944 -12.295 7.225 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.763 -13.901 5.239 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.059 -13.569 5.480 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.939 -12.396 3.429 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.271 -12.896 3.233 1.00 0.00 H new ATOM 1045 N GLY A 64 3.539 -8.793 6.895 1.00 0.00 N ATOM 1046 CA GLY A 64 4.421 -7.669 7.152 1.00 0.00 C ATOM 1047 C GLY A 64 4.623 -6.797 5.927 1.00 0.00 C ATOM 1048 O GLY A 64 5.634 -6.106 5.808 1.00 0.00 O ATOM 0 H GLY A 64 2.766 -8.891 7.554 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.008 -7.065 7.960 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.387 -8.040 7.493 1.00 0.00 H new ATOM 1052 N TYR A 65 3.656 -6.830 5.016 1.00 0.00 N ATOM 1053 CA TYR A 65 3.729 -6.038 3.793 1.00 0.00 C ATOM 1054 C TYR A 65 2.431 -5.272 3.568 1.00 0.00 C ATOM 1055 O TYR A 65 1.369 -5.869 3.393 1.00 0.00 O ATOM 1056 CB TYR A 65 4.015 -6.943 2.593 1.00 0.00 C ATOM 1057 CG TYR A 65 5.482 -7.261 2.410 1.00 0.00 C ATOM 1058 CD1 TYR A 65 6.403 -6.257 2.147 1.00 0.00 C ATOM 1059 CD2 TYR A 65 5.943 -8.568 2.498 1.00 0.00 C ATOM 1060 CE1 TYR A 65 7.745 -6.546 1.978 1.00 0.00 C ATOM 1061 CE2 TYR A 65 7.282 -8.866 2.331 1.00 0.00 C ATOM 1062 CZ TYR A 65 8.178 -7.851 2.071 1.00 0.00 C ATOM 1063 OH TYR A 65 9.513 -8.143 1.902 1.00 0.00 O ATOM 0 H TYR A 65 2.812 -7.397 5.101 1.00 0.00 H new ATOM 0 HA TYR A 65 4.542 -5.320 3.899 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.462 -7.875 2.711 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.640 -6.463 1.689 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.067 -5.233 2.073 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.243 -9.365 2.700 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.450 -5.753 1.774 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.624 -9.888 2.404 1.00 0.00 H new ATOM 0 HH TYR A 65 10.016 -7.312 1.772 1.00 0.00 H new ATOM 1073 N LEU A 66 2.523 -3.948 3.575 1.00 0.00 N ATOM 1074 CA LEU A 66 1.355 -3.101 3.372 1.00 0.00 C ATOM 1075 C LEU A 66 1.496 -2.271 2.102 1.00 0.00 C ATOM 1076 O LEU A 66 2.386 -1.426 1.996 1.00 0.00 O ATOM 1077 CB LEU A 66 1.155 -2.179 4.579 1.00 0.00 C ATOM 1078 CG LEU A 66 0.157 -2.686 5.622 1.00 0.00 C ATOM 1079 CD1 LEU A 66 0.234 -1.844 6.887 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -1.255 -2.672 5.056 1.00 0.00 C ATOM 0 H LEU A 66 3.394 -3.438 3.719 1.00 0.00 H new ATOM 0 HA LEU A 66 0.483 -3.746 3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.119 -2.027 5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.821 -1.205 4.222 1.00 0.00 H new ATOM 0 HG LEU A 66 0.416 -3.713 5.878 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.483 -2.219 7.618 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.240 -1.902 7.302 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.000 -0.807 6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.953 -3.035 5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.524 -1.654 4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.301 -3.316 4.178 1.00 0.00 H new ATOM 1092 N PHE A 67 0.608 -2.514 1.141 1.00 0.00 N ATOM 1093 CA PHE A 67 0.629 -1.784 -0.121 1.00 0.00 C ATOM 1094 C PHE A 67 -0.203 -0.514 -0.013 1.00 0.00 C ATOM 1095 O PHE A 67 -1.419 -0.571 0.164 1.00 0.00 O ATOM 1096 CB PHE A 67 0.095 -2.656 -1.258 1.00 0.00 C ATOM 1097 CG PHE A 67 0.787 -3.985 -1.383 1.00 0.00 C ATOM 1098 CD1 PHE A 67 2.124 -4.127 -1.038 1.00 0.00 C ATOM 1099 CD2 PHE A 67 0.100 -5.093 -1.850 1.00 0.00 C ATOM 1100 CE1 PHE A 67 2.757 -5.348 -1.156 1.00 0.00 C ATOM 1101 CE2 PHE A 67 0.728 -6.316 -1.970 1.00 0.00 C ATOM 1102 CZ PHE A 67 2.059 -6.444 -1.622 1.00 0.00 C ATOM 0 H PHE A 67 -0.134 -3.210 1.213 1.00 0.00 H new ATOM 0 HA PHE A 67 1.662 -1.515 -0.340 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -0.971 -2.825 -1.103 1.00 0.00 H new ATOM 0 HB3 PHE A 67 0.198 -2.114 -2.198 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.675 -3.273 -0.673 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.940 -4.999 -2.124 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.798 -5.446 -0.884 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.180 -7.172 -2.335 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.553 -7.400 -1.714 1.00 0.00 H new ATOM 1112 N ILE A 68 0.457 0.633 -0.114 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.228 1.915 -0.018 1.00 0.00 C ATOM 1114 C ILE A 68 -0.100 2.713 -1.308 1.00 0.00 C ATOM 1115 O ILE A 68 0.994 3.142 -1.678 1.00 0.00 O ATOM 1116 CB ILE A 68 0.320 2.763 1.147 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.573 1.889 2.379 1.00 0.00 C ATOM 1118 CG2 ILE A 68 -0.644 3.893 1.478 1.00 0.00 C ATOM 1119 CD1 ILE A 68 2.040 1.736 2.716 1.00 0.00 C ATOM 0 H ILE A 68 1.464 0.701 -0.262 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.279 1.691 0.164 1.00 0.00 H new ATOM 0 HB ILE A 68 1.270 3.199 0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.054 2.321 3.235 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.142 0.902 2.210 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.244 4.483 2.302 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.771 4.531 0.603 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.609 3.476 1.766 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.147 1.105 3.599 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.560 1.276 1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.471 2.717 2.917 1.00 0.00 H new ATOM 1131 N GLN A 69 -1.224 2.924 -1.985 1.00 0.00 N ATOM 1132 CA GLN A 69 -1.231 3.690 -3.223 1.00 0.00 C ATOM 1133 C GLN A 69 -1.200 5.178 -2.907 1.00 0.00 C ATOM 1134 O GLN A 69 -2.179 5.894 -3.122 1.00 0.00 O ATOM 1135 CB GLN A 69 -2.469 3.352 -4.057 1.00 0.00 C ATOM 1136 CG GLN A 69 -2.318 3.688 -5.532 1.00 0.00 C ATOM 1137 CD GLN A 69 -3.645 3.994 -6.198 1.00 0.00 C ATOM 1138 OE1 GLN A 69 -4.344 4.931 -5.813 1.00 0.00 O ATOM 1139 NE2 GLN A 69 -3.997 3.204 -7.205 1.00 0.00 N ATOM 0 H GLN A 69 -2.139 2.576 -1.697 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.346 3.429 -3.803 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.686 2.289 -3.955 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.326 3.892 -3.655 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.655 4.547 -5.639 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.842 2.852 -6.045 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.386 2.439 -7.490 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.878 3.362 -7.693 1.00 0.00 H new ATOM 1148 N MET A 70 -0.068 5.629 -2.375 1.00 0.00 N ATOM 1149 CA MET A 70 0.111 7.029 -2.007 1.00 0.00 C ATOM 1150 C MET A 70 0.709 7.832 -3.159 1.00 0.00 C ATOM 1151 O MET A 70 0.787 7.355 -4.290 1.00 0.00 O ATOM 1152 CB MET A 70 0.999 7.141 -0.763 1.00 0.00 C ATOM 1153 CG MET A 70 2.444 6.734 -0.999 1.00 0.00 C ATOM 1154 SD MET A 70 3.592 7.577 0.105 1.00 0.00 S ATOM 1155 CE MET A 70 4.138 6.216 1.133 1.00 0.00 C ATOM 0 H MET A 70 0.744 5.040 -2.188 1.00 0.00 H new ATOM 0 HA MET A 70 -0.870 7.446 -1.781 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.976 8.170 -0.403 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.581 6.518 0.027 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.541 5.657 -0.864 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.714 6.951 -2.032 1.00 0.00 H new ATOM 0 HE1 MET A 70 4.287 6.568 2.154 1.00 0.00 H new ATOM 0 HE2 MET A 70 3.383 5.430 1.127 1.00 0.00 H new ATOM 0 HE3 MET A 70 5.076 5.820 0.745 1.00 0.00 H new ATOM 1165 N ASP A 71 1.143 9.052 -2.856 1.00 0.00 N ATOM 1166 CA ASP A 71 1.747 9.924 -3.853 1.00 0.00 C ATOM 1167 C ASP A 71 2.899 10.718 -3.240 1.00 0.00 C ATOM 1168 O ASP A 71 2.679 11.648 -2.465 1.00 0.00 O ATOM 1169 CB ASP A 71 0.701 10.881 -4.427 1.00 0.00 C ATOM 1170 CG ASP A 71 1.259 11.747 -5.541 1.00 0.00 C ATOM 1171 OD1 ASP A 71 1.768 11.183 -6.532 1.00 0.00 O ATOM 1172 OD2 ASP A 71 1.184 12.987 -5.422 1.00 0.00 O ATOM 0 H ASP A 71 1.086 9.459 -1.922 1.00 0.00 H new ATOM 0 HA ASP A 71 2.138 9.304 -4.660 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.144 10.306 -4.806 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.321 11.520 -3.630 1.00 0.00 H new ATOM 1177 N LEU A 72 4.125 10.341 -3.587 1.00 0.00 N ATOM 1178 CA LEU A 72 5.308 11.015 -3.062 1.00 0.00 C ATOM 1179 C LEU A 72 5.584 12.321 -3.807 1.00 0.00 C ATOM 1180 O LEU A 72 6.526 13.044 -3.475 1.00 0.00 O ATOM 1181 CB LEU A 72 6.527 10.094 -3.152 1.00 0.00 C ATOM 1182 CG LEU A 72 6.652 9.076 -2.016 1.00 0.00 C ATOM 1183 CD1 LEU A 72 7.765 8.082 -2.311 1.00 0.00 C ATOM 1184 CD2 LEU A 72 6.902 9.782 -0.691 1.00 0.00 C ATOM 0 H LEU A 72 4.326 9.574 -4.228 1.00 0.00 H new ATOM 0 HA LEU A 72 5.116 11.257 -2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.488 9.556 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.427 10.708 -3.170 1.00 0.00 H new ATOM 0 HG LEU A 72 5.713 8.528 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.840 7.366 -1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.544 7.552 -3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.710 8.614 -2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.988 9.042 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.826 10.357 -0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.071 10.453 -0.474 1.00 0.00 H new ATOM 1245 N GLU A 77 11.584 13.627 -2.950 1.00 0.00 N ATOM 1246 CA GLU A 77 11.374 14.075 -1.579 1.00 0.00 C ATOM 1247 C GLU A 77 10.022 13.596 -1.050 1.00 0.00 C ATOM 1248 O GLU A 77 8.982 13.870 -1.651 1.00 0.00 O ATOM 1249 CB GLU A 77 11.449 15.602 -1.505 1.00 0.00 C ATOM 1250 CG GLU A 77 12.864 16.146 -1.587 1.00 0.00 C ATOM 1251 CD GLU A 77 13.691 15.810 -0.361 1.00 0.00 C ATOM 1252 OE1 GLU A 77 14.028 14.621 -0.181 1.00 0.00 O ATOM 1253 OE2 GLU A 77 13.999 16.735 0.419 1.00 0.00 O ATOM 0 HA GLU A 77 12.160 13.646 -0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.858 16.026 -2.317 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.994 15.935 -0.572 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.354 15.742 -2.473 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.826 17.228 -1.710 1.00 0.00 H new ATOM 1260 N PRO A 78 10.014 12.871 0.083 1.00 0.00 N ATOM 1261 CA PRO A 78 8.775 12.360 0.680 1.00 0.00 C ATOM 1262 C PRO A 78 7.928 13.470 1.291 1.00 0.00 C ATOM 1263 O PRO A 78 8.431 14.553 1.596 1.00 0.00 O ATOM 1264 CB PRO A 78 9.272 11.406 1.769 1.00 0.00 C ATOM 1265 CG PRO A 78 10.621 11.920 2.134 1.00 0.00 C ATOM 1266 CD PRO A 78 11.203 12.493 0.871 1.00 0.00 C ATOM 0 HA PRO A 78 8.131 11.884 -0.060 1.00 0.00 H new ATOM 0 HB2 PRO A 78 8.603 11.404 2.629 1.00 0.00 H new ATOM 0 HB3 PRO A 78 9.324 10.380 1.403 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.551 12.681 2.911 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.250 11.121 2.526 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.838 13.354 1.077 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.817 11.762 0.345 1.00 0.00 H new ATOM 1274 N ASN A 79 6.640 13.197 1.464 1.00 0.00 N ATOM 1275 CA ASN A 79 5.721 14.173 2.037 1.00 0.00 C ATOM 1276 C ASN A 79 5.655 14.037 3.555 1.00 0.00 C ATOM 1277 O ASN A 79 6.322 13.186 4.142 1.00 0.00 O ATOM 1278 CB ASN A 79 4.326 14.004 1.436 1.00 0.00 C ATOM 1279 CG ASN A 79 3.806 12.587 1.575 1.00 0.00 C ATOM 1280 OD1 ASN A 79 3.775 12.028 2.671 1.00 0.00 O ATOM 1281 ND2 ASN A 79 3.393 11.997 0.459 1.00 0.00 N ATOM 0 H ASN A 79 6.208 12.307 1.215 1.00 0.00 H new ATOM 0 HA ASN A 79 6.094 15.169 1.798 1.00 0.00 H new ATOM 0 HB2 ASN A 79 3.636 14.691 1.926 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.352 14.277 0.381 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.032 11.043 0.490 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.436 12.498 -0.429 1.00 0.00 H new ATOM 1288 N GLU A 80 4.843 14.882 4.183 1.00 0.00 N ATOM 1289 CA GLU A 80 4.686 14.856 5.633 1.00 0.00 C ATOM 1290 C GLU A 80 4.118 13.518 6.095 1.00 0.00 C ATOM 1291 O GLU A 80 4.438 13.040 7.184 1.00 0.00 O ATOM 1292 CB GLU A 80 3.774 15.995 6.088 1.00 0.00 C ATOM 1293 CG GLU A 80 2.407 15.985 5.424 1.00 0.00 C ATOM 1294 CD GLU A 80 1.538 17.147 5.860 1.00 0.00 C ATOM 1295 OE1 GLU A 80 1.382 17.347 7.084 1.00 0.00 O ATOM 1296 OE2 GLU A 80 1.012 17.859 4.979 1.00 0.00 O ATOM 0 H GLU A 80 4.284 15.593 3.711 1.00 0.00 H new ATOM 0 HA GLU A 80 5.670 14.987 6.083 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.644 15.935 7.169 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.263 16.946 5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.533 16.016 4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.900 15.049 5.659 1.00 0.00 H new ATOM 1303 N ALA A 81 3.275 12.917 5.260 1.00 0.00 N ATOM 1304 CA ALA A 81 2.664 11.633 5.581 1.00 0.00 C ATOM 1305 C ALA A 81 3.727 10.579 5.871 1.00 0.00 C ATOM 1306 O ALA A 81 3.513 9.673 6.677 1.00 0.00 O ATOM 1307 CB ALA A 81 1.762 11.177 4.444 1.00 0.00 C ATOM 0 H ALA A 81 3.000 13.300 4.355 1.00 0.00 H new ATOM 0 HA ALA A 81 2.059 11.760 6.479 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.313 10.217 4.698 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.975 11.915 4.285 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.350 11.072 3.532 1.00 0.00 H new ATOM 1313 N TRP A 82 4.872 10.706 5.210 1.00 0.00 N ATOM 1314 CA TRP A 82 5.969 9.765 5.398 1.00 0.00 C ATOM 1315 C TRP A 82 6.502 9.830 6.825 1.00 0.00 C ATOM 1316 O TRP A 82 6.685 8.804 7.478 1.00 0.00 O ATOM 1317 CB TRP A 82 7.098 10.058 4.407 1.00 0.00 C ATOM 1318 CG TRP A 82 8.069 8.929 4.268 1.00 0.00 C ATOM 1319 CD1 TRP A 82 9.429 8.999 4.367 1.00 0.00 C ATOM 1320 CD2 TRP A 82 7.756 7.558 4.006 1.00 0.00 C ATOM 1321 NE1 TRP A 82 9.980 7.754 4.183 1.00 0.00 N ATOM 1322 CE2 TRP A 82 8.974 6.853 3.958 1.00 0.00 C ATOM 1323 CE3 TRP A 82 6.563 6.856 3.807 1.00 0.00 C ATOM 1324 CZ2 TRP A 82 9.031 5.482 3.721 1.00 0.00 C ATOM 1325 CZ3 TRP A 82 6.622 5.496 3.570 1.00 0.00 C ATOM 1326 CH2 TRP A 82 7.848 4.822 3.530 1.00 0.00 C ATOM 0 H TRP A 82 5.064 11.451 4.540 1.00 0.00 H new ATOM 0 HA TRP A 82 5.587 8.761 5.216 1.00 0.00 H new ATOM 0 HB2 TRP A 82 6.667 10.280 3.431 1.00 0.00 H new ATOM 0 HB3 TRP A 82 7.633 10.951 4.730 1.00 0.00 H new ATOM 0 HD1 TRP A 82 9.990 9.901 4.562 1.00 0.00 H new ATOM 0 HE1 TRP A 82 10.976 7.536 4.210 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.612 7.368 3.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 9.975 4.959 3.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 5.707 4.944 3.413 1.00 0.00 H new ATOM 0 HH2 TRP A 82 7.860 3.758 3.344 1.00 0.00 H new ATOM 1337 N GLU A 83 6.746 11.046 7.303 1.00 0.00 N ATOM 1338 CA GLU A 83 7.256 11.249 8.656 1.00 0.00 C ATOM 1339 C GLU A 83 6.323 10.620 9.686 1.00 0.00 C ATOM 1340 O GLU A 83 6.763 10.181 10.750 1.00 0.00 O ATOM 1341 CB GLU A 83 7.424 12.743 8.941 1.00 0.00 C ATOM 1342 CG GLU A 83 8.875 13.173 9.091 1.00 0.00 C ATOM 1343 CD GLU A 83 9.020 14.481 9.845 1.00 0.00 C ATOM 1344 OE1 GLU A 83 8.122 14.803 10.651 1.00 0.00 O ATOM 1345 OE2 GLU A 83 10.030 15.181 9.630 1.00 0.00 O ATOM 0 H GLU A 83 6.599 11.906 6.774 1.00 0.00 H new ATOM 0 HA GLU A 83 8.229 10.763 8.731 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.966 13.313 8.132 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.883 12.994 9.853 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.429 12.393 9.613 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.324 13.276 8.103 1.00 0.00 H new ATOM 1352 N VAL A 84 5.035 10.578 9.364 1.00 0.00 N ATOM 1353 CA VAL A 84 4.040 10.002 10.261 1.00 0.00 C ATOM 1354 C VAL A 84 4.032 8.481 10.163 1.00 0.00 C ATOM 1355 O VAL A 84 4.178 7.783 11.167 1.00 0.00 O ATOM 1356 CB VAL A 84 2.629 10.532 9.950 1.00 0.00 C ATOM 1357 CG1 VAL A 84 1.640 10.076 11.012 1.00 0.00 C ATOM 1358 CG2 VAL A 84 2.641 12.049 9.838 1.00 0.00 C ATOM 0 H VAL A 84 4.655 10.936 8.488 1.00 0.00 H new ATOM 0 HA VAL A 84 4.315 10.299 11.273 1.00 0.00 H new ATOM 0 HB VAL A 84 2.311 10.122 8.991 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.648 10.461 10.775 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.610 8.987 11.038 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.952 10.453 11.986 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.635 12.406 9.618 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.981 12.481 10.779 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.316 12.349 9.036 1.00 0.00 H new ATOM 1368 N VAL A 85 3.862 7.972 8.946 1.00 0.00 N ATOM 1369 CA VAL A 85 3.835 6.531 8.715 1.00 0.00 C ATOM 1370 C VAL A 85 5.110 5.869 9.227 1.00 0.00 C ATOM 1371 O VAL A 85 5.075 4.758 9.758 1.00 0.00 O ATOM 1372 CB VAL A 85 3.666 6.205 7.218 1.00 0.00 C ATOM 1373 CG1 VAL A 85 3.467 4.712 7.014 1.00 0.00 C ATOM 1374 CG2 VAL A 85 2.505 6.994 6.627 1.00 0.00 C ATOM 0 H VAL A 85 3.741 8.536 8.105 1.00 0.00 H new ATOM 0 HA VAL A 85 2.979 6.138 9.264 1.00 0.00 H new ATOM 0 HB VAL A 85 4.577 6.499 6.696 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.350 4.503 5.951 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.334 4.174 7.396 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.574 4.388 7.548 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.401 6.751 5.570 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.585 6.735 7.151 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.697 8.061 6.737 1.00 0.00 H new ATOM 1384 N ARG A 86 6.234 6.558 9.063 1.00 0.00 N ATOM 1385 CA ARG A 86 7.521 6.039 9.509 1.00 0.00 C ATOM 1386 C ARG A 86 7.552 5.870 11.027 1.00 0.00 C ATOM 1387 O ARG A 86 8.371 5.121 11.559 1.00 0.00 O ATOM 1388 CB ARG A 86 8.649 6.973 9.067 1.00 0.00 C ATOM 1389 CG ARG A 86 10.036 6.381 9.253 1.00 0.00 C ATOM 1390 CD ARG A 86 11.118 7.350 8.804 1.00 0.00 C ATOM 1391 NE ARG A 86 12.428 6.708 8.720 1.00 0.00 N ATOM 1392 CZ ARG A 86 13.576 7.375 8.634 1.00 0.00 C ATOM 1393 NH1 ARG A 86 13.582 8.701 8.618 1.00 0.00 N ATOM 1394 NH2 ARG A 86 14.723 6.713 8.563 1.00 0.00 N ATOM 0 H ARG A 86 6.280 7.478 8.624 1.00 0.00 H new ATOM 0 HA ARG A 86 7.664 5.060 9.053 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.509 7.226 8.016 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.581 7.903 9.631 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.187 6.126 10.302 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.117 5.454 8.685 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.854 7.763 7.830 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.168 8.186 9.502 1.00 0.00 H new ATOM 0 HE ARG A 86 12.464 5.689 8.728 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.703 9.216 8.672 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.466 9.206 8.552 1.00 0.00 H new ATOM 0 HH21 ARG A 86 14.725 5.693 8.574 1.00 0.00 H new ATOM 0 HH22 ARG A 86 15.603 7.224 8.497 1.00 0.00 H new ATOM 1408 N GLY A 87 6.660 6.575 11.720 1.00 0.00 N ATOM 1409 CA GLY A 87 6.612 6.487 13.167 1.00 0.00 C ATOM 1410 C GLY A 87 5.414 5.705 13.672 1.00 0.00 C ATOM 1411 O GLY A 87 5.392 5.274 14.826 1.00 0.00 O ATOM 0 H GLY A 87 5.972 7.203 11.305 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.526 6.015 13.528 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.586 7.493 13.586 1.00 0.00 H new ATOM 1415 N THR A 88 4.415 5.519 12.814 1.00 0.00 N ATOM 1416 CA THR A 88 3.213 4.782 13.191 1.00 0.00 C ATOM 1417 C THR A 88 3.562 3.384 13.700 1.00 0.00 C ATOM 1418 O THR A 88 4.457 2.728 13.166 1.00 0.00 O ATOM 1419 CB THR A 88 2.257 4.677 12.001 1.00 0.00 C ATOM 1420 OG1 THR A 88 2.933 4.188 10.857 1.00 0.00 O ATOM 1421 CG2 THR A 88 1.619 5.996 11.628 1.00 0.00 C ATOM 0 H THR A 88 4.414 5.867 11.855 1.00 0.00 H new ATOM 0 HA THR A 88 2.724 5.330 13.996 1.00 0.00 H new ATOM 0 HB THR A 88 1.473 3.990 12.320 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.896 4.343 10.955 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.953 5.850 10.777 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.048 6.376 12.475 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.395 6.714 11.363 1.00 0.00 H new ATOM 1429 N PRO A 89 2.859 2.907 14.744 1.00 0.00 N ATOM 1430 CA PRO A 89 3.105 1.579 15.318 1.00 0.00 C ATOM 1431 C PRO A 89 3.016 0.473 14.274 1.00 0.00 C ATOM 1432 O PRO A 89 1.931 -0.023 13.973 1.00 0.00 O ATOM 1433 CB PRO A 89 1.989 1.422 16.356 1.00 0.00 C ATOM 1434 CG PRO A 89 1.587 2.814 16.699 1.00 0.00 C ATOM 1435 CD PRO A 89 1.774 3.618 15.443 1.00 0.00 C ATOM 0 HA PRO A 89 4.108 1.499 15.737 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.150 0.857 15.951 1.00 0.00 H new ATOM 0 HB3 PRO A 89 2.341 0.884 17.236 1.00 0.00 H new ATOM 0 HG2 PRO A 89 0.551 2.850 17.035 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.199 3.209 17.510 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.863 3.649 14.846 1.00 0.00 H new ATOM 0 HD3 PRO A 89 2.046 4.650 15.663 1.00 0.00 H new ATOM 1443 N GLY A 90 4.164 0.089 13.724 1.00 0.00 N ATOM 1444 CA GLY A 90 4.190 -0.958 12.719 1.00 0.00 C ATOM 1445 C GLY A 90 5.480 -0.971 11.924 1.00 0.00 C ATOM 1446 O GLY A 90 5.923 -2.023 11.465 1.00 0.00 O ATOM 0 H GLY A 90 5.075 0.484 13.956 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.057 -1.925 13.204 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.349 -0.824 12.038 1.00 0.00 H new ATOM 1450 N ILE A 91 6.085 0.200 11.761 1.00 0.00 N ATOM 1451 CA ILE A 91 7.332 0.320 11.014 1.00 0.00 C ATOM 1452 C ILE A 91 8.525 -0.092 11.872 1.00 0.00 C ATOM 1453 O ILE A 91 8.663 0.347 13.015 1.00 0.00 O ATOM 1454 CB ILE A 91 7.542 1.758 10.499 1.00 0.00 C ATOM 1455 CG1 ILE A 91 6.377 2.175 9.600 1.00 0.00 C ATOM 1456 CG2 ILE A 91 8.862 1.872 9.745 1.00 0.00 C ATOM 1457 CD1 ILE A 91 6.173 1.257 8.415 1.00 0.00 C ATOM 0 H ILE A 91 5.732 1.080 12.136 1.00 0.00 H new ATOM 0 HA ILE A 91 7.259 -0.351 10.158 1.00 0.00 H new ATOM 0 HB ILE A 91 7.579 2.429 11.357 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.462 2.200 10.192 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.551 3.189 9.239 1.00 0.00 H new ATOM 0 HG21 ILE A 91 8.991 2.894 9.390 1.00 0.00 H new ATOM 0 HG22 ILE A 91 9.685 1.613 10.411 1.00 0.00 H new ATOM 0 HG23 ILE A 91 8.855 1.191 8.894 1.00 0.00 H new ATOM 0 HD11 ILE A 91 5.331 1.612 7.821 1.00 0.00 H new ATOM 0 HD12 ILE A 91 7.073 1.250 7.801 1.00 0.00 H new ATOM 0 HD13 ILE A 91 5.967 0.247 8.769 1.00 0.00 H new ATOM 1567 N ARG A 100 14.795 2.826 1.791 1.00 0.00 N ATOM 1568 CA ARG A 100 13.710 3.519 1.103 1.00 0.00 C ATOM 1569 C ARG A 100 12.588 2.550 0.741 1.00 0.00 C ATOM 1570 O ARG A 100 12.787 1.335 0.720 1.00 0.00 O ATOM 1571 CB ARG A 100 14.235 4.203 -0.161 1.00 0.00 C ATOM 1572 CG ARG A 100 14.885 5.552 0.104 1.00 0.00 C ATOM 1573 CD ARG A 100 13.854 6.597 0.501 1.00 0.00 C ATOM 1574 NE ARG A 100 14.433 7.644 1.341 1.00 0.00 N ATOM 1575 CZ ARG A 100 15.149 8.661 0.870 1.00 0.00 C ATOM 1576 NH1 ARG A 100 15.381 8.773 -0.433 1.00 0.00 N ATOM 1577 NH2 ARG A 100 15.635 9.571 1.703 1.00 0.00 N ATOM 0 HA ARG A 100 13.309 4.275 1.778 1.00 0.00 H new ATOM 0 HB2 ARG A 100 14.960 3.548 -0.644 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.410 4.337 -0.861 1.00 0.00 H new ATOM 0 HG2 ARG A 100 15.626 5.451 0.897 1.00 0.00 H new ATOM 0 HG3 ARG A 100 15.416 5.883 -0.789 1.00 0.00 H new ATOM 0 HD2 ARG A 100 13.428 7.046 -0.396 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.035 6.115 1.035 1.00 0.00 H new ATOM 0 HE ARG A 100 14.279 7.591 2.348 1.00 0.00 H new ATOM 0 HH11 ARG A 100 15.009 8.077 -1.079 1.00 0.00 H new ATOM 0 HH12 ARG A 100 15.931 9.555 -0.788 1.00 0.00 H new ATOM 0 HH21 ARG A 100 15.460 9.491 2.705 1.00 0.00 H new ATOM 0 HH22 ARG A 100 16.184 10.351 1.342 1.00 0.00 H new ATOM 1591 N PRO A 101 11.385 3.080 0.450 1.00 0.00 N ATOM 1592 CA PRO A 101 10.224 2.259 0.088 1.00 0.00 C ATOM 1593 C PRO A 101 10.504 1.349 -1.103 1.00 0.00 C ATOM 1594 O PRO A 101 11.658 1.138 -1.479 1.00 0.00 O ATOM 1595 CB PRO A 101 9.153 3.292 -0.277 1.00 0.00 C ATOM 1596 CG PRO A 101 9.565 4.536 0.432 1.00 0.00 C ATOM 1597 CD PRO A 101 11.066 4.518 0.454 1.00 0.00 C ATOM 0 HA PRO A 101 9.935 1.591 0.899 1.00 0.00 H new ATOM 0 HB2 PRO A 101 9.106 3.448 -1.355 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.163 2.965 0.041 1.00 0.00 H new ATOM 0 HG2 PRO A 101 9.192 5.421 -0.083 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.160 4.562 1.443 1.00 0.00 H new ATOM 0 HD2 PRO A 101 11.488 5.026 -0.413 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.462 5.016 1.339 1.00 0.00 H new ATOM 1605 N VAL A 102 9.440 0.810 -1.690 1.00 0.00 N ATOM 1606 CA VAL A 102 9.569 -0.079 -2.839 1.00 0.00 C ATOM 1607 C VAL A 102 8.267 -0.141 -3.634 1.00 0.00 C ATOM 1608 O VAL A 102 7.380 -0.939 -3.326 1.00 0.00 O ATOM 1609 CB VAL A 102 9.959 -1.505 -2.406 1.00 0.00 C ATOM 1610 CG1 VAL A 102 11.430 -1.564 -2.025 1.00 0.00 C ATOM 1611 CG2 VAL A 102 9.084 -1.973 -1.254 1.00 0.00 C ATOM 0 H VAL A 102 8.479 0.973 -1.389 1.00 0.00 H new ATOM 0 HA VAL A 102 10.359 0.331 -3.468 1.00 0.00 H new ATOM 0 HB VAL A 102 9.798 -2.177 -3.249 1.00 0.00 H new ATOM 0 HG11 VAL A 102 11.687 -2.579 -1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 102 12.040 -1.276 -2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.619 -0.880 -1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 102 9.375 -2.982 -0.963 1.00 0.00 H new ATOM 0 HG22 VAL A 102 9.209 -1.300 -0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 102 8.040 -1.973 -1.567 1.00 0.00 H new ATOM 1621 N PRO A 103 8.132 0.705 -4.672 1.00 0.00 N ATOM 1622 CA PRO A 103 6.928 0.740 -5.509 1.00 0.00 C ATOM 1623 C PRO A 103 6.785 -0.517 -6.365 1.00 0.00 C ATOM 1624 O PRO A 103 7.703 -0.887 -7.097 1.00 0.00 O ATOM 1625 CB PRO A 103 7.144 1.969 -6.395 1.00 0.00 C ATOM 1626 CG PRO A 103 8.620 2.150 -6.443 1.00 0.00 C ATOM 1627 CD PRO A 103 9.139 1.691 -5.109 1.00 0.00 C ATOM 0 HA PRO A 103 6.017 0.786 -4.912 1.00 0.00 H new ATOM 0 HB2 PRO A 103 6.732 1.815 -7.392 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.651 2.848 -5.979 1.00 0.00 H new ATOM 0 HG2 PRO A 103 9.058 1.567 -7.253 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.879 3.193 -6.624 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.129 1.243 -5.195 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.224 2.518 -4.404 1.00 0.00 H new ATOM 1635 N LEU A 104 5.631 -1.165 -6.265 1.00 0.00 N ATOM 1636 CA LEU A 104 5.368 -2.381 -7.030 1.00 0.00 C ATOM 1637 C LEU A 104 5.053 -2.053 -8.485 1.00 0.00 C ATOM 1638 O LEU A 104 4.581 -0.959 -8.799 1.00 0.00 O ATOM 1639 CB LEU A 104 4.207 -3.159 -6.406 1.00 0.00 C ATOM 1640 CG LEU A 104 4.388 -3.524 -4.931 1.00 0.00 C ATOM 1641 CD1 LEU A 104 3.811 -2.437 -4.038 1.00 0.00 C ATOM 1642 CD2 LEU A 104 3.738 -4.866 -4.631 1.00 0.00 C ATOM 0 H LEU A 104 4.862 -0.871 -5.663 1.00 0.00 H new ATOM 0 HA LEU A 104 6.266 -2.998 -7.004 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.297 -2.568 -6.509 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.057 -4.076 -6.975 1.00 0.00 H new ATOM 0 HG LEU A 104 5.455 -3.606 -4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.949 -2.714 -2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.323 -1.495 -4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.747 -2.322 -4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.876 -5.110 -3.578 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.672 -4.812 -4.854 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.199 -5.639 -5.246 1.00 0.00 H new ATOM 1654 N SER A 105 5.316 -3.008 -9.371 1.00 0.00 N ATOM 1655 CA SER A 105 5.060 -2.822 -10.796 1.00 0.00 C ATOM 1656 C SER A 105 3.594 -3.092 -11.126 1.00 0.00 C ATOM 1657 O SER A 105 2.900 -3.787 -10.384 1.00 0.00 O ATOM 1658 CB SER A 105 5.959 -3.744 -11.622 1.00 0.00 C ATOM 1659 OG SER A 105 7.235 -3.163 -11.830 1.00 0.00 O ATOM 0 H SER A 105 5.706 -3.919 -9.128 1.00 0.00 H new ATOM 0 HA SER A 105 5.285 -1.786 -11.048 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.071 -4.700 -11.111 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.489 -3.949 -12.584 1.00 0.00 H new ATOM 0 HG SER A 105 7.790 -3.773 -12.359 1.00 0.00 H new ATOM 1665 N PRO A 106 3.101 -2.544 -12.250 1.00 0.00 N ATOM 1666 CA PRO A 106 1.710 -2.727 -12.678 1.00 0.00 C ATOM 1667 C PRO A 106 1.349 -4.198 -12.857 1.00 0.00 C ATOM 1668 O PRO A 106 0.198 -4.592 -12.673 1.00 0.00 O ATOM 1669 CB PRO A 106 1.635 -1.988 -14.022 1.00 0.00 C ATOM 1670 CG PRO A 106 3.051 -1.814 -14.454 1.00 0.00 C ATOM 1671 CD PRO A 106 3.856 -1.705 -13.194 1.00 0.00 C ATOM 0 HA PRO A 106 1.008 -2.347 -11.936 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.068 -2.561 -14.755 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.135 -1.025 -13.914 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.382 -2.660 -15.057 1.00 0.00 H new ATOM 0 HG3 PRO A 106 3.165 -0.921 -15.068 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.874 -2.068 -13.332 1.00 0.00 H new ATOM 0 HD3 PRO A 106 3.929 -0.674 -12.849 1.00 0.00 H new ATOM 1679 N ASP A 107 2.340 -5.007 -13.217 1.00 0.00 N ATOM 1680 CA ASP A 107 2.125 -6.436 -13.419 1.00 0.00 C ATOM 1681 C ASP A 107 1.875 -7.141 -12.091 1.00 0.00 C ATOM 1682 O ASP A 107 1.178 -8.154 -12.036 1.00 0.00 O ATOM 1683 CB ASP A 107 3.330 -7.059 -14.127 1.00 0.00 C ATOM 1684 CG ASP A 107 3.093 -7.249 -15.612 1.00 0.00 C ATOM 1685 OD1 ASP A 107 2.112 -7.931 -15.975 1.00 0.00 O ATOM 1686 OD2 ASP A 107 3.889 -6.714 -16.414 1.00 0.00 O ATOM 0 H ASP A 107 3.299 -4.698 -13.375 1.00 0.00 H new ATOM 0 HA ASP A 107 1.242 -6.562 -14.046 1.00 0.00 H new ATOM 0 HB2 ASP A 107 4.203 -6.423 -13.980 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.557 -8.023 -13.672 1.00 0.00 H new ATOM 1691 N GLU A 108 2.450 -6.601 -11.021 1.00 0.00 N ATOM 1692 CA GLU A 108 2.290 -7.182 -9.692 1.00 0.00 C ATOM 1693 C GLU A 108 1.148 -6.505 -8.938 1.00 0.00 C ATOM 1694 O GLU A 108 0.436 -7.147 -8.167 1.00 0.00 O ATOM 1695 CB GLU A 108 3.589 -7.049 -8.896 1.00 0.00 C ATOM 1696 CG GLU A 108 4.634 -8.092 -9.260 1.00 0.00 C ATOM 1697 CD GLU A 108 5.904 -7.478 -9.816 1.00 0.00 C ATOM 1698 OE1 GLU A 108 5.900 -7.078 -10.999 1.00 0.00 O ATOM 1699 OE2 GLU A 108 6.901 -7.398 -9.069 1.00 0.00 O ATOM 0 H GLU A 108 3.030 -5.763 -11.048 1.00 0.00 H new ATOM 0 HA GLU A 108 2.050 -8.239 -9.810 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.006 -6.056 -9.060 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.364 -7.128 -7.832 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.877 -8.681 -8.376 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.215 -8.779 -9.995 1.00 0.00 H new ATOM 1706 N VAL A 109 0.983 -5.206 -9.166 1.00 0.00 N ATOM 1707 CA VAL A 109 -0.071 -4.444 -8.508 1.00 0.00 C ATOM 1708 C VAL A 109 -1.449 -4.860 -9.012 1.00 0.00 C ATOM 1709 O VAL A 109 -2.445 -4.740 -8.298 1.00 0.00 O ATOM 1710 CB VAL A 109 0.112 -2.929 -8.725 1.00 0.00 C ATOM 1711 CG1 VAL A 109 -0.886 -2.144 -7.885 1.00 0.00 C ATOM 1712 CG2 VAL A 109 1.538 -2.508 -8.401 1.00 0.00 C ATOM 0 H VAL A 109 1.565 -4.660 -9.801 1.00 0.00 H new ATOM 0 HA VAL A 109 0.000 -4.660 -7.442 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.077 -2.708 -9.775 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.741 -1.077 -8.051 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.900 -2.422 -8.171 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.732 -2.371 -6.830 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.646 -1.435 -8.561 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.759 -2.744 -7.360 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.232 -3.043 -9.050 1.00 0.00 H new ATOM 1722 N ARG A 110 -1.502 -5.355 -10.245 1.00 0.00 N ATOM 1723 CA ARG A 110 -2.763 -5.789 -10.837 1.00 0.00 C ATOM 1724 C ARG A 110 -3.228 -7.101 -10.215 1.00 0.00 C ATOM 1725 O ARG A 110 -4.423 -7.310 -10.005 1.00 0.00 O ATOM 1726 CB ARG A 110 -2.612 -5.951 -12.351 1.00 0.00 C ATOM 1727 CG ARG A 110 -3.923 -6.236 -13.065 1.00 0.00 C ATOM 1728 CD ARG A 110 -4.912 -5.096 -12.890 1.00 0.00 C ATOM 1729 NE ARG A 110 -4.420 -3.848 -13.468 1.00 0.00 N ATOM 1730 CZ ARG A 110 -5.193 -2.800 -13.739 1.00 0.00 C ATOM 1731 NH1 ARG A 110 -6.496 -2.843 -13.481 1.00 0.00 N ATOM 1732 NH2 ARG A 110 -4.665 -1.704 -14.267 1.00 0.00 N ATOM 0 H ARG A 110 -0.690 -5.465 -10.852 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.514 -5.025 -10.636 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -2.173 -5.043 -12.763 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.913 -6.763 -12.553 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.733 -6.395 -14.127 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.357 -7.158 -12.677 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -5.859 -5.363 -13.358 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -5.112 -4.949 -11.828 1.00 0.00 H new ATOM 0 HE ARG A 110 -3.424 -3.776 -13.676 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -6.908 -3.682 -13.073 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -7.084 -2.037 -13.691 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.665 -1.664 -14.466 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.259 -0.901 -14.474 1.00 0.00 H new ATOM 1746 N HIS A 111 -2.278 -7.980 -9.919 1.00 0.00 N ATOM 1747 CA HIS A 111 -2.592 -9.269 -9.316 1.00 0.00 C ATOM 1748 C HIS A 111 -3.022 -9.093 -7.865 1.00 0.00 C ATOM 1749 O HIS A 111 -4.000 -9.693 -7.420 1.00 0.00 O ATOM 1750 CB HIS A 111 -1.382 -10.204 -9.399 1.00 0.00 C ATOM 1751 CG HIS A 111 -1.589 -11.369 -10.316 1.00 0.00 C ATOM 1752 ND1 HIS A 111 -2.048 -11.237 -11.609 1.00 0.00 N ATOM 1753 CD2 HIS A 111 -1.392 -12.695 -10.123 1.00 0.00 C ATOM 1754 CE1 HIS A 111 -2.127 -12.431 -12.171 1.00 0.00 C ATOM 1755 NE2 HIS A 111 -1.736 -13.332 -11.290 1.00 0.00 N ATOM 0 H HIS A 111 -1.284 -7.823 -10.087 1.00 0.00 H new ATOM 0 HA HIS A 111 -3.419 -9.714 -9.870 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.516 -9.635 -9.737 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -1.150 -10.575 -8.400 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -1.031 -13.164 -9.219 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -2.456 -12.634 -13.180 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -1.696 -14.339 -11.450 1.00 0.00 H new ATOM 1764 N ILE A 112 -2.287 -8.263 -7.132 1.00 0.00 N ATOM 1765 CA ILE A 112 -2.599 -8.006 -5.733 1.00 0.00 C ATOM 1766 C ILE A 112 -3.912 -7.239 -5.598 1.00 0.00 C ATOM 1767 O ILE A 112 -4.570 -7.295 -4.559 1.00 0.00 O ATOM 1768 CB ILE A 112 -1.473 -7.214 -5.040 1.00 0.00 C ATOM 1769 CG1 ILE A 112 -1.280 -5.854 -5.712 1.00 0.00 C ATOM 1770 CG2 ILE A 112 -0.176 -8.009 -5.064 1.00 0.00 C ATOM 1771 CD1 ILE A 112 -2.241 -4.795 -5.221 1.00 0.00 C ATOM 0 H ILE A 112 -1.473 -7.758 -7.484 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.697 -8.976 -5.245 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.758 -7.045 -4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.259 -5.514 -5.539 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.399 -5.970 -6.789 1.00 0.00 H new ATOM 0 HG21 ILE A 112 0.610 -7.437 -4.571 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -0.319 -8.955 -4.541 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.111 -8.205 -6.097 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -2.046 -3.857 -5.741 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -3.265 -5.113 -5.418 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -2.106 -4.650 -4.149 1.00 0.00 H new ATOM 1783 N LEU A 113 -4.293 -6.531 -6.660 1.00 0.00 N ATOM 1784 CA LEU A 113 -5.530 -5.758 -6.661 1.00 0.00 C ATOM 1785 C LEU A 113 -6.743 -6.681 -6.737 1.00 0.00 C ATOM 1786 O LEU A 113 -7.810 -6.364 -6.211 1.00 0.00 O ATOM 1787 CB LEU A 113 -5.540 -4.783 -7.843 1.00 0.00 C ATOM 1788 CG LEU A 113 -5.531 -3.299 -7.459 1.00 0.00 C ATOM 1789 CD1 LEU A 113 -4.410 -2.560 -8.178 1.00 0.00 C ATOM 1790 CD2 LEU A 113 -6.878 -2.662 -7.767 1.00 0.00 C ATOM 0 H LEU A 113 -3.762 -6.478 -7.529 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.583 -5.193 -5.731 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.671 -4.986 -8.469 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.424 -4.980 -8.450 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.351 -3.225 -6.387 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.424 -1.509 -7.890 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.451 -2.999 -7.904 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.552 -2.643 -9.256 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -6.854 -1.608 -7.488 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -7.087 -2.751 -8.833 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.659 -3.170 -7.201 1.00 0.00 H new ATOM 1802 N GLU A 114 -6.573 -7.820 -7.399 1.00 0.00 N ATOM 1803 CA GLU A 114 -7.655 -8.787 -7.551 1.00 0.00 C ATOM 1804 C GLU A 114 -7.847 -9.605 -6.278 1.00 0.00 C ATOM 1805 O GLU A 114 -8.951 -9.684 -5.739 1.00 0.00 O ATOM 1806 CB GLU A 114 -7.372 -9.718 -8.730 1.00 0.00 C ATOM 1807 CG GLU A 114 -8.519 -10.663 -9.050 1.00 0.00 C ATOM 1808 CD GLU A 114 -8.044 -12.007 -9.559 1.00 0.00 C ATOM 1809 OE1 GLU A 114 -6.984 -12.052 -10.219 1.00 0.00 O ATOM 1810 OE2 GLU A 114 -8.731 -13.018 -9.299 1.00 0.00 O ATOM 0 H GLU A 114 -5.696 -8.097 -7.839 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.574 -8.233 -7.743 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.151 -9.117 -9.612 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -6.479 -10.304 -8.513 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.123 -10.811 -8.155 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -9.165 -10.203 -9.798 1.00 0.00 H new ATOM 1817 N VAL A 115 -6.768 -10.215 -5.810 1.00 0.00 N ATOM 1818 CA VAL A 115 -6.812 -11.034 -4.604 1.00 0.00 C ATOM 1819 C VAL A 115 -7.302 -10.228 -3.404 1.00 0.00 C ATOM 1820 O VAL A 115 -8.029 -10.744 -2.555 1.00 0.00 O ATOM 1821 CB VAL A 115 -5.431 -11.629 -4.274 1.00 0.00 C ATOM 1822 CG1 VAL A 115 -5.541 -12.638 -3.140 1.00 0.00 C ATOM 1823 CG2 VAL A 115 -4.815 -12.270 -5.509 1.00 0.00 C ATOM 0 H VAL A 115 -5.848 -10.159 -6.247 1.00 0.00 H new ATOM 0 HA VAL A 115 -7.512 -11.845 -4.804 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.777 -10.820 -3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.555 -13.048 -2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.935 -12.145 -2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.212 -13.445 -3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -3.839 -12.685 -5.255 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.466 -13.067 -5.868 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.698 -11.518 -6.289 1.00 0.00 H new ATOM 1833 N SER A 116 -6.900 -8.964 -3.339 1.00 0.00 N ATOM 1834 CA SER A 116 -7.299 -8.089 -2.241 1.00 0.00 C ATOM 1835 C SER A 116 -8.819 -8.025 -2.120 1.00 0.00 C ATOM 1836 O SER A 116 -9.391 -8.463 -1.121 1.00 0.00 O ATOM 1837 CB SER A 116 -6.731 -6.684 -2.450 1.00 0.00 C ATOM 1838 OG SER A 116 -5.640 -6.440 -1.578 1.00 0.00 O ATOM 0 H SER A 116 -6.298 -8.521 -4.033 1.00 0.00 H new ATOM 0 HA SER A 116 -6.897 -8.502 -1.315 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.407 -6.570 -3.484 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.512 -5.943 -2.277 1.00 0.00 H new ATOM 0 HG SER A 116 -5.936 -6.536 -0.649 1.00 0.00 H new ATOM 1844 N GLY A 117 -9.465 -7.475 -3.142 1.00 0.00 N ATOM 1845 CA GLY A 117 -10.913 -7.363 -3.132 1.00 0.00 C ATOM 1846 C GLY A 117 -11.398 -6.068 -3.751 1.00 0.00 C ATOM 1847 O GLY A 117 -12.302 -5.420 -3.225 1.00 0.00 O ATOM 0 H GLY A 117 -9.012 -7.104 -3.978 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.343 -8.205 -3.674 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -11.272 -7.428 -2.105 1.00 0.00 H new ATOM 1851 N LEU A 118 -10.791 -5.688 -4.872 1.00 0.00 N ATOM 1852 CA LEU A 118 -11.165 -4.460 -5.566 1.00 0.00 C ATOM 1853 C LEU A 118 -11.753 -4.768 -6.939 1.00 0.00 C ATOM 1854 O LEU A 118 -12.645 -4.066 -7.414 1.00 0.00 O ATOM 1855 CB LEU A 118 -9.948 -3.544 -5.716 1.00 0.00 C ATOM 1856 CG LEU A 118 -8.969 -3.565 -4.539 1.00 0.00 C ATOM 1857 CD1 LEU A 118 -7.683 -2.838 -4.903 1.00 0.00 C ATOM 1858 CD2 LEU A 118 -9.605 -2.944 -3.306 1.00 0.00 C ATOM 0 H LEU A 118 -10.039 -6.212 -5.319 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.924 -3.953 -4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -9.410 -3.826 -6.621 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -10.298 -2.522 -5.859 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.724 -4.603 -4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -6.999 -2.863 -4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.218 -3.327 -5.759 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.910 -1.802 -5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -8.895 -2.967 -2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -9.879 -1.911 -3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.497 -3.508 -3.034 1.00 0.00 H new ATOM 1870 N LEU A 119 -11.247 -5.822 -7.572 1.00 0.00 N ATOM 1871 CA LEU A 119 -11.723 -6.223 -8.891 1.00 0.00 C ATOM 1872 C LEU A 119 -12.798 -7.299 -8.778 1.00 0.00 C ATOM 1873 O LEU A 119 -12.811 -8.263 -9.544 1.00 0.00 O ATOM 1874 CB LEU A 119 -10.556 -6.737 -9.738 1.00 0.00 C ATOM 1875 CG LEU A 119 -10.880 -6.964 -11.218 1.00 0.00 C ATOM 1876 CD1 LEU A 119 -9.873 -6.246 -12.104 1.00 0.00 C ATOM 1877 CD2 LEU A 119 -10.910 -8.451 -11.538 1.00 0.00 C ATOM 0 H LEU A 119 -10.508 -6.414 -7.193 1.00 0.00 H new ATOM 0 HA LEU A 119 -12.160 -5.350 -9.375 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.734 -6.025 -9.667 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -10.203 -7.676 -9.311 1.00 0.00 H new ATOM 0 HG LEU A 119 -11.868 -6.550 -11.419 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.121 -6.420 -13.151 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -9.903 -5.176 -11.897 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.872 -6.627 -11.900 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -11.142 -8.591 -12.594 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.937 -8.890 -11.319 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -11.673 -8.938 -10.931 1.00 0.00 H new ATOM 1889 N GLY A 120 -13.703 -7.125 -7.820 1.00 0.00 N ATOM 1890 CA GLY A 120 -14.771 -8.088 -7.627 1.00 0.00 C ATOM 1891 C GLY A 120 -15.886 -7.549 -6.751 1.00 0.00 C ATOM 1892 O GLY A 120 -16.195 -6.344 -6.858 1.00 0.00 O ATOM 1893 OXT GLY A 120 -16.451 -8.333 -5.958 1.00 0.00 O ATOM 0 H GLY A 120 -13.716 -6.335 -7.175 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -15.180 -8.372 -8.597 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -14.363 -8.993 -7.176 1.00 0.00 H new