USER MOD reduce.3.24.130724 H: found=0, std=0, add=1074, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1074 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 31 HIS : +bothHN:sc= 1.48 K(o=2.6,f=-3.7!) USER MOD Set 1.2: A 149 SER OG : rot 25:sc= 1.1 USER MOD Set 2.1: A 130 ASN : amide:sc= 2.3 K(o=4.3,f=-5.3!) USER MOD Set 2.2: A 135 THR OG1 : rot -63:sc= 1.97 USER MOD Set 3.1: A 95 SER OG : rot -130:sc= 1.3 USER MOD Set 3.2: A 128 SER OG : rot -85:sc= 0.966 USER MOD Set 4.1: A 87 TYR OH : rot 157:sc= 1.91 USER MOD Set 4.2: A 112 GLN : amide:sc= 0.764 K(o=2.7,f=0.93) USER MOD Set 5.1: A 48 GLN : amide:sc= 0.0401 X(o=0.2,f=0.33) USER MOD Set 5.2: A 82 GLN : amide:sc= 0.157 X(o=0.2,f=0.33) USER MOD Set 6.1: A 10 THR OG1 : rot 98:sc= 0.448 USER MOD Set 6.2: A 15 SER OG : rot 180:sc= 0.257 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 27 THR OG1 : rot 89:sc= 1.27 USER MOD Single : A 29 GLN : amide:sc= 1.08 K(o=1.1,f=-0.35) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -1:sc= 0.635 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot -159:sc=0.000962 USER MOD Single : A 50 LYS NZ :NH3+ -164:sc= 1.24 (180deg=1.16) USER MOD Single : A 51 TYR OH : rot -131:sc= 0.709 USER MOD Single : A 56 THR OG1 : rot 170:sc= 0 USER MOD Single : A 57 SER OG : rot -60:sc= 0.977 USER MOD Single : A 58 THR OG1 : rot 73:sc= 0.602 USER MOD Single : A 59 THR OG1 : rot 170:sc= 0 USER MOD Single : A 67 SER OG : rot 151:sc= 1.24 USER MOD Single : A 73 GLN : amide:sc= 0.352 X(o=0.35,f=-0.039) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 61:sc= 1.24 USER MOD Single : A 84 ASN : amide:sc= 0.0694 K(o=0.069,f=-2.5!) USER MOD Single : A 96 SER OG : rot 86:sc= 1.21 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 CYS SG : rot 87:sc= 0.58 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 169:sc= 0.906 (180deg=0.82) USER MOD Single : A 106 GLN : amide:sc= 1.11 K(o=1.1,f=-2.2) USER MOD Single : A 114 GLN : amide:sc= 1.1 K(o=1.1,f=-0.3) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= 0.841 K(o=0.84,f=-0.047) USER MOD Single : A 122 MET CE :methyl 179:sc= -0.322 (180deg=-0.37) USER MOD Single : A 137 SER OG : rot -80:sc= 0.881 USER MOD Single : A 138 ASN : amide:sc= 1.11 K(o=1.1,f=-0.5) USER MOD Single : A 143 HIS : no HD1:sc= -0.0961 X(o=-0.096,f=0) USER MOD Single : A 146 THR OG1 : rot -45:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 4.718 0.330 -1.055 1.00 0.00 N ATOM 21 CA ALA A 2 5.238 1.699 -1.078 1.00 0.00 C ATOM 22 C ALA A 2 5.065 2.332 -2.479 1.00 0.00 C ATOM 23 O ALA A 2 4.502 1.712 -3.383 1.00 0.00 O ATOM 24 CB ALA A 2 6.709 1.640 -0.643 1.00 0.00 C ATOM 0 HA ALA A 2 4.682 2.337 -0.392 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.131 2.645 -0.648 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.775 1.224 0.362 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.268 1.009 -1.334 1.00 0.00 H new ATOM 30 N GLU A 3 5.553 3.561 -2.669 1.00 0.00 N ATOM 31 CA GLU A 3 5.428 4.325 -3.922 1.00 0.00 C ATOM 32 C GLU A 3 6.732 5.095 -4.224 1.00 0.00 C ATOM 33 O GLU A 3 7.192 5.870 -3.381 1.00 0.00 O ATOM 34 CB GLU A 3 4.211 5.258 -3.795 1.00 0.00 C ATOM 35 CG GLU A 3 3.953 6.083 -5.061 1.00 0.00 C ATOM 36 CD GLU A 3 2.627 6.862 -4.964 1.00 0.00 C ATOM 37 OE1 GLU A 3 1.539 6.248 -5.085 1.00 0.00 O1- ATOM 38 OE2 GLU A 3 2.668 8.102 -4.768 1.00 0.00 O ATOM 0 H GLU A 3 6.058 4.067 -1.942 1.00 0.00 H new ATOM 0 HA GLU A 3 5.270 3.654 -4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.326 4.663 -3.569 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.364 5.933 -2.953 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.776 6.781 -5.216 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.926 5.423 -5.928 1.00 0.00 H new ATOM 45 N ILE A 4 7.327 4.873 -5.410 1.00 0.00 N ATOM 46 CA ILE A 4 8.676 5.352 -5.776 1.00 0.00 C ATOM 47 C ILE A 4 8.685 6.194 -7.056 1.00 0.00 C ATOM 48 O ILE A 4 8.100 5.814 -8.073 1.00 0.00 O ATOM 49 CB ILE A 4 9.697 4.193 -6.001 1.00 0.00 C ATOM 50 CG1 ILE A 4 9.454 2.893 -5.206 1.00 0.00 C ATOM 51 CG2 ILE A 4 11.129 4.705 -5.764 1.00 0.00 C ATOM 52 CD1 ILE A 4 9.582 3.011 -3.692 1.00 0.00 C ATOM 0 H ILE A 4 6.876 4.345 -6.157 1.00 0.00 H new ATOM 0 HA ILE A 4 8.972 5.957 -4.919 1.00 0.00 H new ATOM 0 HB ILE A 4 9.545 3.896 -7.039 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.454 2.527 -5.440 1.00 0.00 H new ATOM 0 HG13 ILE A 4 10.159 2.139 -5.554 1.00 0.00 H new ATOM 0 HG21 ILE A 4 11.837 3.892 -5.922 1.00 0.00 H new ATOM 0 HG22 ILE A 4 11.346 5.515 -6.460 1.00 0.00 H new ATOM 0 HG23 ILE A 4 11.220 5.071 -4.741 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.391 2.040 -3.234 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.589 3.341 -3.437 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.857 3.736 -3.321 1.00 0.00 H new ATOM 64 N GLY A 5 9.428 7.299 -7.029 1.00 0.00 N ATOM 65 CA GLY A 5 9.754 8.092 -8.213 1.00 0.00 C ATOM 66 C GLY A 5 11.155 7.681 -8.686 1.00 0.00 C ATOM 67 O GLY A 5 12.078 7.645 -7.872 1.00 0.00 O ATOM 0 H GLY A 5 9.827 7.675 -6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 5 9.020 7.921 -9.001 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.728 9.156 -7.978 1.00 0.00 H new ATOM 71 N ILE A 6 11.312 7.322 -9.964 1.00 0.00 N ATOM 72 CA ILE A 6 12.536 6.712 -10.515 1.00 0.00 C ATOM 73 C ILE A 6 13.114 7.651 -11.576 1.00 0.00 C ATOM 74 O ILE A 6 12.747 7.621 -12.751 1.00 0.00 O ATOM 75 CB ILE A 6 12.288 5.277 -11.041 1.00 0.00 C ATOM 76 CG1 ILE A 6 11.646 4.396 -9.946 1.00 0.00 C ATOM 77 CG2 ILE A 6 13.618 4.660 -11.521 1.00 0.00 C ATOM 78 CD1 ILE A 6 11.382 2.951 -10.378 1.00 0.00 C ATOM 0 H ILE A 6 10.579 7.448 -10.662 1.00 0.00 H new ATOM 0 HA ILE A 6 13.273 6.591 -9.721 1.00 0.00 H new ATOM 0 HB ILE A 6 11.596 5.326 -11.882 1.00 0.00 H new ATOM 0 HG12 ILE A 6 12.298 4.389 -9.073 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.704 4.849 -9.637 1.00 0.00 H new ATOM 0 HG21 ILE A 6 13.438 3.650 -11.890 1.00 0.00 H new ATOM 0 HG22 ILE A 6 14.034 5.271 -12.322 1.00 0.00 H new ATOM 0 HG23 ILE A 6 14.323 4.623 -10.690 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.931 2.401 -9.552 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.704 2.944 -11.232 1.00 0.00 H new ATOM 0 HD13 ILE A 6 12.323 2.477 -10.658 1.00 0.00 H new ATOM 90 N PHE A 7 13.999 8.533 -11.131 1.00 0.00 N ATOM 91 CA PHE A 7 14.505 9.652 -11.920 1.00 0.00 C ATOM 92 C PHE A 7 15.779 9.274 -12.675 1.00 0.00 C ATOM 93 O PHE A 7 16.665 8.607 -12.129 1.00 0.00 O ATOM 94 CB PHE A 7 14.735 10.845 -10.988 1.00 0.00 C ATOM 95 CG PHE A 7 13.493 11.160 -10.181 1.00 0.00 C ATOM 96 CD1 PHE A 7 12.479 11.968 -10.723 1.00 0.00 C ATOM 97 CD2 PHE A 7 13.312 10.562 -8.922 1.00 0.00 C ATOM 98 CE1 PHE A 7 11.294 12.176 -9.998 1.00 0.00 C ATOM 99 CE2 PHE A 7 12.151 10.809 -8.179 1.00 0.00 C ATOM 100 CZ PHE A 7 11.129 11.604 -8.726 1.00 0.00 C ATOM 0 H PHE A 7 14.395 8.491 -10.192 1.00 0.00 H new ATOM 0 HA PHE A 7 13.769 9.923 -12.677 1.00 0.00 H new ATOM 0 HB2 PHE A 7 15.564 10.628 -10.314 1.00 0.00 H new ATOM 0 HB3 PHE A 7 15.021 11.718 -11.575 1.00 0.00 H new ATOM 0 HD1 PHE A 7 12.610 12.427 -11.692 1.00 0.00 H new ATOM 0 HD2 PHE A 7 14.074 9.907 -8.525 1.00 0.00 H new ATOM 0 HE1 PHE A 7 10.505 12.780 -10.421 1.00 0.00 H new ATOM 0 HE2 PHE A 7 12.041 10.390 -7.190 1.00 0.00 H new ATOM 0 HZ PHE A 7 10.219 11.775 -8.170 1.00 0.00 H new ATOM 110 N VAL A 8 15.866 9.715 -13.932 1.00 0.00 N ATOM 111 CA VAL A 8 16.903 9.270 -14.866 1.00 0.00 C ATOM 112 C VAL A 8 17.713 10.446 -15.402 1.00 0.00 C ATOM 113 O VAL A 8 17.184 11.523 -15.679 1.00 0.00 O ATOM 114 CB VAL A 8 16.292 8.446 -16.015 1.00 0.00 C ATOM 115 CG1 VAL A 8 17.353 7.820 -16.930 1.00 0.00 C ATOM 116 CG2 VAL A 8 15.424 7.303 -15.479 1.00 0.00 C ATOM 0 H VAL A 8 15.217 10.393 -14.332 1.00 0.00 H new ATOM 0 HA VAL A 8 17.588 8.625 -14.317 1.00 0.00 H new ATOM 0 HB VAL A 8 15.694 9.155 -16.587 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.862 7.252 -17.720 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.961 8.608 -17.374 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.990 7.155 -16.347 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.007 6.740 -16.314 1.00 0.00 H new ATOM 0 HG22 VAL A 8 16.033 6.641 -14.864 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.613 7.713 -14.877 1.00 0.00 H new ATOM 126 N GLY A 9 19.012 10.198 -15.582 1.00 0.00 N ATOM 127 CA GLY A 9 19.998 11.162 -16.072 1.00 0.00 C ATOM 128 C GLY A 9 20.919 10.486 -17.077 1.00 0.00 C ATOM 129 O GLY A 9 21.912 9.861 -16.708 1.00 0.00 O ATOM 0 H GLY A 9 19.421 9.285 -15.383 1.00 0.00 H new ATOM 0 HA2 GLY A 9 19.493 12.008 -16.538 1.00 0.00 H new ATOM 0 HA3 GLY A 9 20.580 11.557 -15.239 1.00 0.00 H new ATOM 133 N THR A 10 20.546 10.534 -18.356 1.00 0.00 N ATOM 134 CA THR A 10 21.185 9.756 -19.436 1.00 0.00 C ATOM 135 C THR A 10 21.465 10.585 -20.694 1.00 0.00 C ATOM 136 O THR A 10 20.945 11.690 -20.854 1.00 0.00 O ATOM 137 CB THR A 10 20.323 8.517 -19.724 1.00 0.00 C ATOM 138 OG1 THR A 10 21.069 7.582 -20.463 1.00 0.00 O ATOM 139 CG2 THR A 10 19.061 8.791 -20.520 1.00 0.00 C ATOM 0 H THR A 10 19.780 11.122 -18.684 1.00 0.00 H new ATOM 0 HA THR A 10 22.172 9.438 -19.099 1.00 0.00 H new ATOM 0 HB THR A 10 20.027 8.150 -18.741 1.00 0.00 H new ATOM 0 HG1 THR A 10 21.433 6.903 -19.858 1.00 0.00 H new ATOM 0 HG21 THR A 10 18.518 7.858 -20.674 1.00 0.00 H new ATOM 0 HG22 THR A 10 18.430 9.492 -19.973 1.00 0.00 H new ATOM 0 HG23 THR A 10 19.326 9.220 -21.486 1.00 0.00 H new ATOM 147 N MET A 11 22.295 10.030 -21.578 1.00 0.00 N ATOM 148 CA MET A 11 22.795 10.656 -22.811 1.00 0.00 C ATOM 149 C MET A 11 22.419 9.817 -24.048 1.00 0.00 C ATOM 150 O MET A 11 22.123 10.377 -25.107 1.00 0.00 O ATOM 151 CB MET A 11 24.322 10.804 -22.667 1.00 0.00 C ATOM 152 CG MET A 11 24.970 11.664 -23.757 1.00 0.00 C ATOM 153 SD MET A 11 24.608 13.435 -23.636 1.00 0.00 S ATOM 154 CE MET A 11 25.564 14.025 -25.062 1.00 0.00 C ATOM 0 H MET A 11 22.657 9.085 -21.451 1.00 0.00 H new ATOM 0 HA MET A 11 22.339 11.635 -22.956 1.00 0.00 H new ATOM 0 HB2 MET A 11 24.544 11.241 -21.694 1.00 0.00 H new ATOM 0 HB3 MET A 11 24.776 9.813 -22.683 1.00 0.00 H new ATOM 0 HG2 MET A 11 26.050 11.524 -23.717 1.00 0.00 H new ATOM 0 HG3 MET A 11 24.637 11.304 -24.731 1.00 0.00 H new ATOM 0 HE1 MET A 11 25.460 15.107 -25.147 1.00 0.00 H new ATOM 0 HE2 MET A 11 26.615 13.771 -24.925 1.00 0.00 H new ATOM 0 HE3 MET A 11 25.192 13.552 -25.971 1.00 0.00 H new ATOM 164 N TYR A 12 22.350 8.487 -23.887 1.00 0.00 N ATOM 165 CA TYR A 12 22.043 7.511 -24.944 1.00 0.00 C ATOM 166 C TYR A 12 21.016 6.436 -24.523 1.00 0.00 C ATOM 167 O TYR A 12 20.610 5.626 -25.360 1.00 0.00 O ATOM 168 CB TYR A 12 23.353 6.848 -25.402 1.00 0.00 C ATOM 169 CG TYR A 12 24.489 7.807 -25.730 1.00 0.00 C ATOM 170 CD1 TYR A 12 24.510 8.500 -26.956 1.00 0.00 C ATOM 171 CD2 TYR A 12 25.517 8.011 -24.792 1.00 0.00 C ATOM 172 CE1 TYR A 12 25.556 9.401 -27.243 1.00 0.00 C ATOM 173 CE2 TYR A 12 26.568 8.906 -25.073 1.00 0.00 C ATOM 174 CZ TYR A 12 26.587 9.605 -26.299 1.00 0.00 C ATOM 175 OH TYR A 12 27.600 10.479 -26.561 1.00 0.00 O ATOM 0 H TYR A 12 22.513 8.045 -22.982 1.00 0.00 H new ATOM 0 HA TYR A 12 21.576 8.058 -25.763 1.00 0.00 H new ATOM 0 HB2 TYR A 12 23.689 6.167 -24.620 1.00 0.00 H new ATOM 0 HB3 TYR A 12 23.145 6.242 -26.284 1.00 0.00 H new ATOM 0 HD1 TYR A 12 23.723 8.341 -27.678 1.00 0.00 H new ATOM 0 HD2 TYR A 12 25.501 7.479 -23.852 1.00 0.00 H new ATOM 0 HE1 TYR A 12 25.569 9.934 -28.182 1.00 0.00 H new ATOM 0 HE2 TYR A 12 27.358 9.057 -24.352 1.00 0.00 H new ATOM 0 HH TYR A 12 28.221 10.496 -25.803 1.00 0.00 H new ATOM 185 N GLY A 13 20.582 6.403 -23.248 1.00 0.00 N ATOM 186 CA GLY A 13 19.520 5.502 -22.761 1.00 0.00 C ATOM 187 C GLY A 13 20.002 4.262 -21.993 1.00 0.00 C ATOM 188 O GLY A 13 19.187 3.472 -21.519 1.00 0.00 O ATOM 0 H GLY A 13 20.963 7.007 -22.520 1.00 0.00 H new ATOM 0 HA2 GLY A 13 18.853 6.072 -22.114 1.00 0.00 H new ATOM 0 HA3 GLY A 13 18.929 5.171 -23.615 1.00 0.00 H new ATOM 192 N ASN A 14 21.318 4.085 -21.834 1.00 0.00 N ATOM 193 CA ASN A 14 21.907 2.906 -21.174 1.00 0.00 C ATOM 194 C ASN A 14 21.465 2.762 -19.703 1.00 0.00 C ATOM 195 O ASN A 14 21.113 1.673 -19.252 1.00 0.00 O ATOM 196 CB ASN A 14 23.441 2.993 -21.302 1.00 0.00 C ATOM 197 CG ASN A 14 23.910 2.768 -22.735 1.00 0.00 C ATOM 198 OD1 ASN A 14 23.641 1.742 -23.345 1.00 0.00 O ATOM 199 ND2 ASN A 14 24.609 3.714 -23.327 1.00 0.00 N ATOM 0 H ASN A 14 22.012 4.758 -22.160 1.00 0.00 H new ATOM 0 HA ASN A 14 21.543 2.007 -21.672 1.00 0.00 H new ATOM 0 HB2 ASN A 14 23.778 3.972 -20.960 1.00 0.00 H new ATOM 0 HB3 ASN A 14 23.902 2.251 -20.649 1.00 0.00 H new ATOM 0 HD21 ASN A 14 24.923 3.589 -24.289 1.00 0.00 H new ATOM 0 HD22 ASN A 14 24.836 4.571 -22.823 1.00 0.00 H new ATOM 206 N SER A 15 21.429 3.880 -18.966 1.00 0.00 N ATOM 207 CA SER A 15 20.892 3.961 -17.600 1.00 0.00 C ATOM 208 C SER A 15 19.356 3.958 -17.561 1.00 0.00 C ATOM 209 O SER A 15 18.766 3.361 -16.665 1.00 0.00 O ATOM 210 CB SER A 15 21.474 5.200 -16.914 1.00 0.00 C ATOM 211 OG SER A 15 21.451 6.300 -17.807 1.00 0.00 O ATOM 0 H SER A 15 21.780 4.774 -19.310 1.00 0.00 H new ATOM 0 HA SER A 15 21.195 3.066 -17.057 1.00 0.00 H new ATOM 0 HB2 SER A 15 20.898 5.435 -16.019 1.00 0.00 H new ATOM 0 HB3 SER A 15 22.497 5.002 -16.593 1.00 0.00 H new ATOM 0 HG SER A 15 21.823 7.090 -17.362 1.00 0.00 H new ATOM 217 N LEU A 16 18.677 4.527 -18.563 1.00 0.00 N ATOM 218 CA LEU A 16 17.211 4.466 -18.682 1.00 0.00 C ATOM 219 C LEU A 16 16.678 3.023 -18.758 1.00 0.00 C ATOM 220 O LEU A 16 15.681 2.710 -18.112 1.00 0.00 O ATOM 221 CB LEU A 16 16.780 5.299 -19.901 1.00 0.00 C ATOM 222 CG LEU A 16 15.273 5.282 -20.228 1.00 0.00 C ATOM 223 CD1 LEU A 16 14.433 5.906 -19.117 1.00 0.00 C ATOM 224 CD2 LEU A 16 15.051 6.082 -21.512 1.00 0.00 C ATOM 0 H LEU A 16 19.127 5.045 -19.318 1.00 0.00 H new ATOM 0 HA LEU A 16 16.772 4.887 -17.777 1.00 0.00 H new ATOM 0 HB2 LEU A 16 17.085 6.333 -19.737 1.00 0.00 H new ATOM 0 HB3 LEU A 16 17.326 4.940 -20.774 1.00 0.00 H new ATOM 0 HG LEU A 16 14.963 4.243 -20.338 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.379 5.871 -19.394 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.584 5.351 -18.191 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.735 6.943 -18.971 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.990 6.083 -21.762 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.390 7.108 -21.365 1.00 0.00 H new ATOM 0 HD23 LEU A 16 15.615 5.627 -22.326 1.00 0.00 H new ATOM 236 N LEU A 17 17.369 2.122 -19.466 1.00 0.00 N ATOM 237 CA LEU A 17 17.034 0.689 -19.490 1.00 0.00 C ATOM 238 C LEU A 17 16.995 0.088 -18.072 1.00 0.00 C ATOM 239 O LEU A 17 16.090 -0.678 -17.740 1.00 0.00 O ATOM 240 CB LEU A 17 18.034 -0.021 -20.424 1.00 0.00 C ATOM 241 CG LEU A 17 17.808 -1.539 -20.615 1.00 0.00 C ATOM 242 CD1 LEU A 17 18.397 -1.976 -21.958 1.00 0.00 C ATOM 243 CD2 LEU A 17 18.486 -2.400 -19.543 1.00 0.00 C ATOM 0 H LEU A 17 18.177 2.364 -20.040 1.00 0.00 H new ATOM 0 HA LEU A 17 16.027 0.544 -19.881 1.00 0.00 H new ATOM 0 HB2 LEU A 17 17.995 0.460 -21.401 1.00 0.00 H new ATOM 0 HB3 LEU A 17 19.040 0.132 -20.033 1.00 0.00 H new ATOM 0 HG LEU A 17 16.730 -1.688 -20.554 1.00 0.00 H new ATOM 0 HD11 LEU A 17 18.238 -3.046 -22.094 1.00 0.00 H new ATOM 0 HD12 LEU A 17 17.907 -1.431 -22.765 1.00 0.00 H new ATOM 0 HD13 LEU A 17 19.466 -1.763 -21.973 1.00 0.00 H new ATOM 0 HD21 LEU A 17 18.285 -3.453 -19.741 1.00 0.00 H new ATOM 0 HD22 LEU A 17 19.562 -2.226 -19.564 1.00 0.00 H new ATOM 0 HD23 LEU A 17 18.094 -2.134 -18.561 1.00 0.00 H new ATOM 255 N VAL A 18 17.948 0.467 -17.212 1.00 0.00 N ATOM 256 CA VAL A 18 17.975 0.044 -15.803 1.00 0.00 C ATOM 257 C VAL A 18 16.820 0.650 -14.993 1.00 0.00 C ATOM 258 O VAL A 18 16.261 -0.029 -14.134 1.00 0.00 O ATOM 259 CB VAL A 18 19.338 0.353 -15.157 1.00 0.00 C ATOM 260 CG1 VAL A 18 19.336 0.020 -13.666 1.00 0.00 C ATOM 261 CG2 VAL A 18 20.448 -0.461 -15.831 1.00 0.00 C ATOM 0 H VAL A 18 18.724 1.076 -17.472 1.00 0.00 H new ATOM 0 HA VAL A 18 17.835 -1.037 -15.790 1.00 0.00 H new ATOM 0 HB VAL A 18 19.520 1.420 -15.288 1.00 0.00 H new ATOM 0 HG11 VAL A 18 20.313 0.250 -13.241 1.00 0.00 H new ATOM 0 HG12 VAL A 18 18.572 0.612 -13.162 1.00 0.00 H new ATOM 0 HG13 VAL A 18 19.121 -1.040 -13.530 1.00 0.00 H new ATOM 0 HG21 VAL A 18 21.404 -0.230 -15.362 1.00 0.00 H new ATOM 0 HG22 VAL A 18 20.237 -1.525 -15.721 1.00 0.00 H new ATOM 0 HG23 VAL A 18 20.493 -0.208 -16.890 1.00 0.00 H new ATOM 271 N ALA A 19 16.402 1.888 -15.278 1.00 0.00 N ATOM 272 CA ALA A 19 15.207 2.466 -14.659 1.00 0.00 C ATOM 273 C ALA A 19 13.914 1.725 -15.057 1.00 0.00 C ATOM 274 O ALA A 19 13.066 1.462 -14.204 1.00 0.00 O ATOM 275 CB ALA A 19 15.133 3.953 -15.011 1.00 0.00 C ATOM 0 H ALA A 19 16.875 2.509 -15.935 1.00 0.00 H new ATOM 0 HA ALA A 19 15.291 2.351 -13.578 1.00 0.00 H new ATOM 0 HB1 ALA A 19 14.246 4.391 -14.554 1.00 0.00 H new ATOM 0 HB2 ALA A 19 16.022 4.460 -14.637 1.00 0.00 H new ATOM 0 HB3 ALA A 19 15.078 4.068 -16.093 1.00 0.00 H new ATOM 281 N GLU A 20 13.779 1.329 -16.326 1.00 0.00 N ATOM 282 CA GLU A 20 12.676 0.476 -16.794 1.00 0.00 C ATOM 283 C GLU A 20 12.675 -0.910 -16.111 1.00 0.00 C ATOM 284 O GLU A 20 11.616 -1.385 -15.695 1.00 0.00 O ATOM 285 CB GLU A 20 12.729 0.338 -18.325 1.00 0.00 C ATOM 286 CG GLU A 20 12.384 1.645 -19.047 1.00 0.00 C ATOM 287 CD GLU A 20 12.325 1.425 -20.572 1.00 0.00 C ATOM 288 OE1 GLU A 20 13.382 1.462 -21.247 1.00 0.00 O ATOM 289 OE2 GLU A 20 11.210 1.219 -21.115 1.00 0.00 O1- ATOM 0 H GLU A 20 14.433 1.591 -17.063 1.00 0.00 H new ATOM 0 HA GLU A 20 11.741 0.961 -16.514 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.727 0.015 -18.623 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.035 -0.441 -18.640 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.425 2.021 -18.691 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.130 2.404 -18.812 1.00 0.00 H new ATOM 296 N GLU A 21 13.846 -1.535 -15.922 1.00 0.00 N ATOM 297 CA GLU A 21 13.992 -2.744 -15.092 1.00 0.00 C ATOM 298 C GLU A 21 13.558 -2.497 -13.637 1.00 0.00 C ATOM 299 O GLU A 21 12.795 -3.290 -13.081 1.00 0.00 O ATOM 300 CB GLU A 21 15.454 -3.235 -15.106 1.00 0.00 C ATOM 301 CG GLU A 21 15.765 -4.200 -16.253 1.00 0.00 C ATOM 302 CD GLU A 21 15.180 -5.597 -15.972 1.00 0.00 C ATOM 303 OE1 GLU A 21 15.751 -6.336 -15.132 1.00 0.00 O1- ATOM 304 OE2 GLU A 21 14.145 -5.956 -16.585 1.00 0.00 O ATOM 0 H GLU A 21 14.721 -1.218 -16.340 1.00 0.00 H new ATOM 0 HA GLU A 21 13.341 -3.505 -15.521 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.117 -2.373 -15.177 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.672 -3.728 -14.158 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.353 -3.810 -17.184 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.844 -4.274 -16.388 1.00 0.00 H new ATOM 311 N ALA A 22 14.006 -1.394 -13.024 1.00 0.00 N ATOM 312 CA ALA A 22 13.670 -1.053 -11.646 1.00 0.00 C ATOM 313 C ALA A 22 12.156 -0.893 -11.437 1.00 0.00 C ATOM 314 O ALA A 22 11.598 -1.470 -10.505 1.00 0.00 O ATOM 315 CB ALA A 22 14.432 0.214 -11.232 1.00 0.00 C ATOM 0 H ALA A 22 14.615 -0.713 -13.477 1.00 0.00 H new ATOM 0 HA ALA A 22 13.977 -1.880 -11.005 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.181 0.469 -10.202 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.504 0.036 -11.311 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.152 1.038 -11.889 1.00 0.00 H new ATOM 321 N GLU A 23 11.474 -0.166 -12.327 1.00 0.00 N ATOM 322 CA GLU A 23 10.012 -0.027 -12.307 1.00 0.00 C ATOM 323 C GLU A 23 9.304 -1.389 -12.358 1.00 0.00 C ATOM 324 O GLU A 23 8.424 -1.646 -11.534 1.00 0.00 O ATOM 325 CB GLU A 23 9.578 0.880 -13.471 1.00 0.00 C ATOM 326 CG GLU A 23 8.089 1.252 -13.439 1.00 0.00 C ATOM 327 CD GLU A 23 7.678 2.033 -14.703 1.00 0.00 C ATOM 328 OE1 GLU A 23 7.398 1.389 -15.745 1.00 0.00 O1- ATOM 329 OE2 GLU A 23 7.612 3.284 -14.652 1.00 0.00 O ATOM 0 H GLU A 23 11.922 0.346 -13.087 1.00 0.00 H new ATOM 0 HA GLU A 23 9.716 0.433 -11.364 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.172 1.793 -13.450 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.798 0.378 -14.413 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.488 0.347 -13.357 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.881 1.854 -12.554 1.00 0.00 H new ATOM 336 N ALA A 24 9.716 -2.285 -13.263 1.00 0.00 N ATOM 337 CA ALA A 24 9.159 -3.631 -13.374 1.00 0.00 C ATOM 338 C ALA A 24 9.379 -4.472 -12.099 1.00 0.00 C ATOM 339 O ALA A 24 8.433 -5.083 -11.597 1.00 0.00 O ATOM 340 CB ALA A 24 9.761 -4.306 -14.612 1.00 0.00 C ATOM 0 H ALA A 24 10.451 -2.091 -13.943 1.00 0.00 H new ATOM 0 HA ALA A 24 8.077 -3.556 -13.486 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.356 -5.313 -14.711 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.511 -3.726 -15.500 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.845 -4.360 -14.506 1.00 0.00 H new ATOM 346 N ILE A 25 10.589 -4.465 -11.528 1.00 0.00 N ATOM 347 CA ILE A 25 10.923 -5.154 -10.275 1.00 0.00 C ATOM 348 C ILE A 25 10.091 -4.639 -9.094 1.00 0.00 C ATOM 349 O ILE A 25 9.522 -5.437 -8.354 1.00 0.00 O ATOM 350 CB ILE A 25 12.435 -4.992 -10.008 1.00 0.00 C ATOM 351 CG1 ILE A 25 13.248 -5.795 -11.049 1.00 0.00 C ATOM 352 CG2 ILE A 25 12.799 -5.445 -8.585 1.00 0.00 C ATOM 353 CD1 ILE A 25 14.701 -5.325 -11.153 1.00 0.00 C ATOM 0 H ILE A 25 11.382 -3.968 -11.934 1.00 0.00 H new ATOM 0 HA ILE A 25 10.680 -6.211 -10.379 1.00 0.00 H new ATOM 0 HB ILE A 25 12.684 -3.935 -10.099 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.230 -6.852 -10.781 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.771 -5.705 -12.025 1.00 0.00 H new ATOM 0 HG21 ILE A 25 13.870 -5.319 -8.426 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.251 -4.843 -7.860 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.534 -6.495 -8.458 1.00 0.00 H new ATOM 0 HD11 ILE A 25 15.225 -5.924 -11.898 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.724 -4.276 -11.449 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.191 -5.440 -10.186 1.00 0.00 H new ATOM 365 N LEU A 26 9.980 -3.319 -8.922 1.00 0.00 N ATOM 366 CA LEU A 26 9.276 -2.713 -7.790 1.00 0.00 C ATOM 367 C LEU A 26 7.773 -2.986 -7.909 1.00 0.00 C ATOM 368 O LEU A 26 7.132 -3.372 -6.933 1.00 0.00 O ATOM 369 CB LEU A 26 9.612 -1.209 -7.742 1.00 0.00 C ATOM 370 CG LEU A 26 11.053 -0.941 -7.258 1.00 0.00 C ATOM 371 CD1 LEU A 26 11.526 0.440 -7.698 1.00 0.00 C ATOM 372 CD2 LEU A 26 11.164 -1.030 -5.736 1.00 0.00 C ATOM 0 H LEU A 26 10.378 -2.638 -9.568 1.00 0.00 H new ATOM 0 HA LEU A 26 9.601 -3.154 -6.848 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.479 -0.778 -8.735 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.910 -0.704 -7.079 1.00 0.00 H new ATOM 0 HG LEU A 26 11.681 -1.710 -7.707 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.544 0.606 -7.345 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.505 0.502 -8.786 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.868 1.201 -7.278 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.193 -0.835 -5.434 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.506 -0.291 -5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.872 -2.028 -5.408 1.00 0.00 H new ATOM 384 N THR A 27 7.247 -2.909 -9.134 1.00 0.00 N ATOM 385 CA THR A 27 5.892 -3.341 -9.489 1.00 0.00 C ATOM 386 C THR A 27 5.642 -4.808 -9.110 1.00 0.00 C ATOM 387 O THR A 27 4.669 -5.104 -8.415 1.00 0.00 O ATOM 388 CB THR A 27 5.660 -3.109 -10.991 1.00 0.00 C ATOM 389 OG1 THR A 27 5.766 -1.738 -11.307 1.00 0.00 O ATOM 390 CG2 THR A 27 4.292 -3.567 -11.463 1.00 0.00 C ATOM 0 H THR A 27 7.766 -2.534 -9.928 1.00 0.00 H new ATOM 0 HA THR A 27 5.179 -2.746 -8.919 1.00 0.00 H new ATOM 0 HB THR A 27 6.427 -3.699 -11.493 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.697 -1.524 -11.525 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.193 -3.375 -12.531 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.181 -4.635 -11.274 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.519 -3.021 -10.923 1.00 0.00 H new ATOM 398 N ALA A 28 6.536 -5.727 -9.502 1.00 0.00 N ATOM 399 CA ALA A 28 6.431 -7.156 -9.188 1.00 0.00 C ATOM 400 C ALA A 28 6.518 -7.463 -7.676 1.00 0.00 C ATOM 401 O ALA A 28 5.832 -8.361 -7.187 1.00 0.00 O ATOM 402 CB ALA A 28 7.519 -7.905 -9.967 1.00 0.00 C ATOM 0 H ALA A 28 7.362 -5.494 -10.053 1.00 0.00 H new ATOM 0 HA ALA A 28 5.441 -7.496 -9.491 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.457 -8.971 -9.746 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.375 -7.747 -11.036 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.500 -7.530 -9.674 1.00 0.00 H new ATOM 408 N GLN A 29 7.315 -6.695 -6.922 1.00 0.00 N ATOM 409 CA GLN A 29 7.433 -6.799 -5.458 1.00 0.00 C ATOM 410 C GLN A 29 6.261 -6.163 -4.681 1.00 0.00 C ATOM 411 O GLN A 29 6.199 -6.306 -3.458 1.00 0.00 O ATOM 412 CB GLN A 29 8.779 -6.201 -5.012 1.00 0.00 C ATOM 413 CG GLN A 29 9.946 -7.099 -5.446 1.00 0.00 C ATOM 414 CD GLN A 29 11.288 -6.642 -4.883 1.00 0.00 C ATOM 415 OE1 GLN A 29 11.694 -5.494 -5.005 1.00 0.00 O ATOM 416 NE2 GLN A 29 12.031 -7.518 -4.237 1.00 0.00 N ATOM 0 H GLN A 29 7.909 -5.968 -7.319 1.00 0.00 H new ATOM 0 HA GLN A 29 7.390 -7.860 -5.213 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.900 -5.207 -5.442 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.788 -6.083 -3.928 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.751 -8.121 -5.122 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.001 -7.114 -6.535 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.707 -8.479 -4.127 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.930 -7.235 -3.847 1.00 0.00 H new ATOM 425 N GLY A 30 5.323 -5.491 -5.360 1.00 0.00 N ATOM 426 CA GLY A 30 4.097 -4.961 -4.749 1.00 0.00 C ATOM 427 C GLY A 30 4.142 -3.464 -4.420 1.00 0.00 C ATOM 428 O GLY A 30 3.417 -3.017 -3.530 1.00 0.00 O ATOM 0 H GLY A 30 5.394 -5.298 -6.359 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.261 -5.146 -5.424 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.895 -5.515 -3.832 1.00 0.00 H new ATOM 432 N HIS A 31 4.986 -2.689 -5.111 1.00 0.00 N ATOM 433 CA HIS A 31 5.119 -1.233 -4.940 1.00 0.00 C ATOM 434 C HIS A 31 4.706 -0.480 -6.212 1.00 0.00 C ATOM 435 O HIS A 31 4.965 -0.936 -7.328 1.00 0.00 O ATOM 436 CB HIS A 31 6.574 -0.880 -4.599 1.00 0.00 C ATOM 437 CG HIS A 31 7.147 -1.624 -3.422 1.00 0.00 C ATOM 438 ND1 HIS A 31 6.580 -1.699 -2.148 1.00 0.00 N ATOM 439 CD2 HIS A 31 8.339 -2.287 -3.423 1.00 0.00 C ATOM 440 CE1 HIS A 31 7.461 -2.388 -1.402 1.00 0.00 C ATOM 441 NE2 HIS A 31 8.523 -2.751 -2.140 1.00 0.00 N ATOM 0 H HIS A 31 5.612 -3.064 -5.823 1.00 0.00 H new ATOM 0 HA HIS A 31 4.458 -0.931 -4.128 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.195 -1.078 -5.473 1.00 0.00 H new ATOM 0 HB3 HIS A 31 6.636 0.190 -4.399 1.00 0.00 H new ATOM 0 HD1 HIS A 31 5.685 -1.312 -1.847 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.005 -2.421 -4.262 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.333 -2.618 -0.355 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.329 -3.280 -1.807 1.00 0.00 H new ATOM 449 N LYS A 32 4.109 0.706 -6.058 1.00 0.00 N ATOM 450 CA LYS A 32 3.855 1.633 -7.173 1.00 0.00 C ATOM 451 C LYS A 32 5.179 2.291 -7.587 1.00 0.00 C ATOM 452 O LYS A 32 5.969 2.690 -6.734 1.00 0.00 O ATOM 453 CB LYS A 32 2.797 2.658 -6.724 1.00 0.00 C ATOM 454 CG LYS A 32 2.349 3.651 -7.803 1.00 0.00 C ATOM 455 CD LYS A 32 1.599 2.972 -8.961 1.00 0.00 C ATOM 456 CE LYS A 32 0.963 4.052 -9.840 1.00 0.00 C ATOM 457 NZ LYS A 32 0.170 3.471 -10.960 1.00 0.00 N1+ ATOM 0 H LYS A 32 3.786 1.054 -5.155 1.00 0.00 H new ATOM 0 HA LYS A 32 3.465 1.112 -8.047 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.921 2.118 -6.364 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.195 3.220 -5.879 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.705 4.406 -7.351 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.222 4.171 -8.197 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.285 2.363 -9.549 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.832 2.302 -8.572 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.317 4.682 -9.228 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.744 4.695 -10.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.242 4.238 -11.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.790 2.890 -11.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.593 2.878 -10.574 1.00 0.00 H new ATOM 471 N ALA A 33 5.425 2.434 -8.886 1.00 0.00 N ATOM 472 CA ALA A 33 6.650 3.043 -9.408 1.00 0.00 C ATOM 473 C ALA A 33 6.388 3.861 -10.687 1.00 0.00 C ATOM 474 O ALA A 33 5.374 3.674 -11.365 1.00 0.00 O ATOM 475 CB ALA A 33 7.681 1.926 -9.623 1.00 0.00 C ATOM 0 H ALA A 33 4.777 2.129 -9.613 1.00 0.00 H new ATOM 0 HA ALA A 33 7.043 3.761 -8.688 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.605 2.354 -10.012 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.883 1.429 -8.674 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.288 1.201 -10.336 1.00 0.00 H new ATOM 481 N THR A 34 7.285 4.793 -11.023 1.00 0.00 N ATOM 482 CA THR A 34 7.209 5.602 -12.257 1.00 0.00 C ATOM 483 C THR A 34 8.597 6.087 -12.673 1.00 0.00 C ATOM 484 O THR A 34 9.254 6.800 -11.912 1.00 0.00 O ATOM 485 CB THR A 34 6.285 6.819 -12.066 1.00 0.00 C ATOM 486 OG1 THR A 34 4.981 6.383 -11.743 1.00 0.00 O ATOM 487 CG2 THR A 34 6.152 7.673 -13.328 1.00 0.00 C ATOM 0 H THR A 34 8.095 5.014 -10.444 1.00 0.00 H new ATOM 0 HA THR A 34 6.799 4.964 -13.040 1.00 0.00 H new ATOM 0 HB THR A 34 6.737 7.414 -11.273 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.959 5.403 -11.726 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.488 8.515 -13.130 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.134 8.046 -13.620 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.739 7.068 -14.135 1.00 0.00 H new ATOM 495 N VAL A 35 9.046 5.712 -13.874 1.00 0.00 N ATOM 496 CA VAL A 35 10.255 6.256 -14.511 1.00 0.00 C ATOM 497 C VAL A 35 10.010 7.681 -15.027 1.00 0.00 C ATOM 498 O VAL A 35 8.971 7.955 -15.636 1.00 0.00 O ATOM 499 CB VAL A 35 10.726 5.363 -15.680 1.00 0.00 C ATOM 500 CG1 VAL A 35 11.971 5.910 -16.391 1.00 0.00 C ATOM 501 CG2 VAL A 35 11.101 3.967 -15.183 1.00 0.00 C ATOM 0 H VAL A 35 8.573 5.010 -14.443 1.00 0.00 H new ATOM 0 HA VAL A 35 11.035 6.279 -13.750 1.00 0.00 H new ATOM 0 HB VAL A 35 9.885 5.339 -16.372 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.252 5.238 -17.202 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.753 6.898 -16.797 1.00 0.00 H new ATOM 0 HG13 VAL A 35 12.794 5.983 -15.680 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.429 3.357 -16.025 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.908 4.045 -14.455 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.233 3.502 -14.715 1.00 0.00 H new ATOM 511 N PHE A 36 11.007 8.555 -14.863 1.00 0.00 N ATOM 512 CA PHE A 36 11.044 9.905 -15.433 1.00 0.00 C ATOM 513 C PHE A 36 12.354 10.103 -16.211 1.00 0.00 C ATOM 514 O PHE A 36 13.435 10.141 -15.622 1.00 0.00 O ATOM 515 CB PHE A 36 10.887 10.956 -14.324 1.00 0.00 C ATOM 516 CG PHE A 36 9.623 10.841 -13.492 1.00 0.00 C ATOM 517 CD1 PHE A 36 8.419 11.404 -13.960 1.00 0.00 C ATOM 518 CD2 PHE A 36 9.652 10.198 -12.239 1.00 0.00 C ATOM 519 CE1 PHE A 36 7.252 11.328 -13.178 1.00 0.00 C ATOM 520 CE2 PHE A 36 8.485 10.126 -11.454 1.00 0.00 C ATOM 521 CZ PHE A 36 7.288 10.691 -11.923 1.00 0.00 C ATOM 0 H PHE A 36 11.837 8.336 -14.312 1.00 0.00 H new ATOM 0 HA PHE A 36 10.212 10.029 -16.126 1.00 0.00 H new ATOM 0 HB2 PHE A 36 11.747 10.888 -13.658 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.913 11.946 -14.779 1.00 0.00 H new ATOM 0 HD1 PHE A 36 8.392 11.895 -14.921 1.00 0.00 H new ATOM 0 HD2 PHE A 36 10.571 9.759 -11.880 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.330 11.758 -13.540 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.511 9.636 -10.492 1.00 0.00 H new ATOM 0 HZ PHE A 36 6.394 10.637 -11.320 1.00 0.00 H new ATOM 531 N GLU A 37 12.259 10.195 -17.540 1.00 0.00 N ATOM 532 CA GLU A 37 13.398 10.196 -18.475 1.00 0.00 C ATOM 533 C GLU A 37 13.993 11.589 -18.780 1.00 0.00 C ATOM 534 O GLU A 37 15.131 11.681 -19.249 1.00 0.00 O ATOM 535 CB GLU A 37 13.017 9.461 -19.778 1.00 0.00 C ATOM 536 CG GLU A 37 11.922 10.113 -20.642 1.00 0.00 C ATOM 537 CD GLU A 37 10.503 9.762 -20.154 1.00 0.00 C ATOM 538 OE1 GLU A 37 10.006 10.410 -19.200 1.00 0.00 O ATOM 539 OE2 GLU A 37 9.876 8.834 -20.724 1.00 0.00 O1- ATOM 0 H GLU A 37 11.360 10.274 -18.015 1.00 0.00 H new ATOM 0 HA GLU A 37 14.197 9.661 -17.962 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.915 9.359 -20.387 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.691 8.454 -19.518 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.050 11.195 -20.630 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.038 9.789 -21.676 1.00 0.00 H new ATOM 546 N ASP A 38 13.253 12.666 -18.496 1.00 0.00 N ATOM 547 CA ASP A 38 13.681 14.070 -18.655 1.00 0.00 C ATOM 548 C ASP A 38 13.078 14.957 -17.529 1.00 0.00 C ATOM 549 O ASP A 38 12.310 15.887 -17.808 1.00 0.00 O ATOM 550 CB ASP A 38 13.303 14.531 -20.076 1.00 0.00 C ATOM 551 CG ASP A 38 13.791 15.950 -20.413 1.00 0.00 C ATOM 552 OD1 ASP A 38 14.962 16.283 -20.110 1.00 0.00 O ATOM 553 OD2 ASP A 38 13.021 16.720 -21.041 1.00 0.00 O1- ATOM 0 H ASP A 38 12.302 12.586 -18.135 1.00 0.00 H new ATOM 0 HA ASP A 38 14.762 14.165 -18.549 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.721 13.831 -20.799 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.219 14.493 -20.185 1.00 0.00 H new ATOM 558 N PRO A 39 13.323 14.627 -16.242 1.00 0.00 N ATOM 559 CA PRO A 39 12.645 15.239 -15.098 1.00 0.00 C ATOM 560 C PRO A 39 13.077 16.679 -14.775 1.00 0.00 C ATOM 561 O PRO A 39 14.171 17.139 -15.119 1.00 0.00 O ATOM 562 CB PRO A 39 12.966 14.323 -13.912 1.00 0.00 C ATOM 563 CG PRO A 39 14.351 13.776 -14.262 1.00 0.00 C ATOM 564 CD PRO A 39 14.264 13.614 -15.773 1.00 0.00 C ATOM 0 HA PRO A 39 11.582 15.327 -15.324 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.975 14.871 -12.970 1.00 0.00 H new ATOM 0 HB3 PRO A 39 12.231 13.524 -13.809 1.00 0.00 H new ATOM 0 HG2 PRO A 39 15.145 14.464 -13.972 1.00 0.00 H new ATOM 0 HG3 PRO A 39 14.552 12.828 -13.762 1.00 0.00 H new ATOM 0 HD2 PRO A 39 15.242 13.749 -16.235 1.00 0.00 H new ATOM 0 HD3 PRO A 39 13.922 12.614 -16.037 1.00 0.00 H new ATOM 572 N GLU A 40 12.225 17.352 -14.001 1.00 0.00 N ATOM 573 CA GLU A 40 12.449 18.652 -13.354 1.00 0.00 C ATOM 574 C GLU A 40 11.921 18.608 -11.900 1.00 0.00 C ATOM 575 O GLU A 40 11.323 17.615 -11.479 1.00 0.00 O ATOM 576 CB GLU A 40 11.762 19.776 -14.159 1.00 0.00 C ATOM 577 CG GLU A 40 12.358 19.975 -15.558 1.00 0.00 C ATOM 578 CD GLU A 40 11.752 21.213 -16.240 1.00 0.00 C ATOM 579 OE1 GLU A 40 12.308 22.329 -16.087 1.00 0.00 O ATOM 580 OE2 GLU A 40 10.719 21.086 -16.943 1.00 0.00 O1- ATOM 0 H GLU A 40 11.298 16.982 -13.794 1.00 0.00 H new ATOM 0 HA GLU A 40 13.518 18.863 -13.329 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.700 19.548 -14.254 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.839 20.710 -13.603 1.00 0.00 H new ATOM 0 HG2 GLU A 40 13.440 20.088 -15.484 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.171 19.091 -16.167 1.00 0.00 H new ATOM 587 N LEU A 41 12.127 19.675 -11.111 1.00 0.00 N ATOM 588 CA LEU A 41 11.728 19.731 -9.689 1.00 0.00 C ATOM 589 C LEU A 41 10.254 19.320 -9.474 1.00 0.00 C ATOM 590 O LEU A 41 9.951 18.540 -8.575 1.00 0.00 O ATOM 591 CB LEU A 41 12.018 21.155 -9.160 1.00 0.00 C ATOM 592 CG LEU A 41 12.283 21.294 -7.646 1.00 0.00 C ATOM 593 CD1 LEU A 41 12.403 22.779 -7.309 1.00 0.00 C ATOM 594 CD2 LEU A 41 11.195 20.725 -6.738 1.00 0.00 C ATOM 0 H LEU A 41 12.577 20.529 -11.440 1.00 0.00 H new ATOM 0 HA LEU A 41 12.312 19.005 -9.123 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.884 21.546 -9.694 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.171 21.792 -9.417 1.00 0.00 H new ATOM 0 HG LEU A 41 13.191 20.720 -7.459 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.591 22.896 -6.242 1.00 0.00 H new ATOM 0 HD12 LEU A 41 13.228 23.214 -7.872 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.476 23.288 -7.572 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.477 20.873 -5.696 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.253 21.236 -6.935 1.00 0.00 H new ATOM 0 HD23 LEU A 41 11.078 19.659 -6.935 1.00 0.00 H new ATOM 606 N SER A 42 9.355 19.758 -10.359 1.00 0.00 N ATOM 607 CA SER A 42 7.919 19.421 -10.360 1.00 0.00 C ATOM 608 C SER A 42 7.595 17.917 -10.457 1.00 0.00 C ATOM 609 O SER A 42 6.461 17.527 -10.176 1.00 0.00 O ATOM 610 CB SER A 42 7.218 20.147 -11.519 1.00 0.00 C ATOM 611 OG SER A 42 7.500 21.541 -11.508 1.00 0.00 O ATOM 0 H SER A 42 9.611 20.381 -11.125 1.00 0.00 H new ATOM 0 HA SER A 42 7.553 19.748 -9.387 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.541 19.717 -12.467 1.00 0.00 H new ATOM 0 HB3 SER A 42 6.141 19.992 -11.449 1.00 0.00 H new ATOM 0 HG SER A 42 7.041 21.974 -12.258 1.00 0.00 H new ATOM 617 N ASP A 43 8.560 17.069 -10.828 1.00 0.00 N ATOM 618 CA ASP A 43 8.433 15.603 -10.861 1.00 0.00 C ATOM 619 C ASP A 43 8.994 14.930 -9.592 1.00 0.00 C ATOM 620 O ASP A 43 8.522 13.862 -9.200 1.00 0.00 O ATOM 621 CB ASP A 43 9.162 15.038 -12.090 1.00 0.00 C ATOM 622 CG ASP A 43 8.647 15.647 -13.405 1.00 0.00 C ATOM 623 OD1 ASP A 43 7.459 15.427 -13.753 1.00 0.00 O1- ATOM 624 OD2 ASP A 43 9.437 16.329 -14.102 1.00 0.00 O ATOM 0 H ASP A 43 9.481 17.392 -11.124 1.00 0.00 H new ATOM 0 HA ASP A 43 7.367 15.382 -10.913 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.231 15.231 -11.997 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.035 13.956 -12.119 1.00 0.00 H new ATOM 629 N TRP A 44 9.969 15.567 -8.928 1.00 0.00 N ATOM 630 CA TRP A 44 10.569 15.123 -7.660 1.00 0.00 C ATOM 631 C TRP A 44 9.724 15.535 -6.440 1.00 0.00 C ATOM 632 O TRP A 44 9.532 14.754 -5.504 1.00 0.00 O ATOM 633 CB TRP A 44 11.993 15.700 -7.597 1.00 0.00 C ATOM 634 CG TRP A 44 12.836 15.310 -6.429 1.00 0.00 C ATOM 635 CD1 TRP A 44 12.926 15.972 -5.257 1.00 0.00 C ATOM 636 CD2 TRP A 44 13.764 14.189 -6.329 1.00 0.00 C ATOM 637 NE1 TRP A 44 13.799 15.307 -4.414 1.00 0.00 N ATOM 638 CE2 TRP A 44 14.315 14.178 -5.016 1.00 0.00 C ATOM 639 CE3 TRP A 44 14.196 13.181 -7.216 1.00 0.00 C ATOM 640 CZ2 TRP A 44 15.182 13.166 -4.587 1.00 0.00 C ATOM 641 CZ3 TRP A 44 15.096 12.182 -6.800 1.00 0.00 C ATOM 642 CH2 TRP A 44 15.579 12.165 -5.485 1.00 0.00 C ATOM 0 H TRP A 44 10.377 16.437 -9.271 1.00 0.00 H new ATOM 0 HA TRP A 44 10.604 14.034 -7.627 1.00 0.00 H new ATOM 0 HB2 TRP A 44 12.518 15.405 -8.506 1.00 0.00 H new ATOM 0 HB3 TRP A 44 11.918 16.787 -7.611 1.00 0.00 H new ATOM 0 HD1 TRP A 44 12.397 16.882 -5.014 1.00 0.00 H new ATOM 0 HE1 TRP A 44 14.031 15.612 -3.469 1.00 0.00 H new ATOM 0 HE3 TRP A 44 13.830 13.176 -8.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 15.543 13.156 -3.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 15.416 11.424 -7.499 1.00 0.00 H new ATOM 0 HH2 TRP A 44 16.254 11.385 -5.165 1.00 0.00 H new ATOM 653 N LEU A 45 9.166 16.750 -6.470 1.00 0.00 N ATOM 654 CA LEU A 45 8.308 17.327 -5.430 1.00 0.00 C ATOM 655 C LEU A 45 7.158 16.402 -4.960 1.00 0.00 C ATOM 656 O LEU A 45 6.999 16.258 -3.744 1.00 0.00 O ATOM 657 CB LEU A 45 7.846 18.719 -5.914 1.00 0.00 C ATOM 658 CG LEU A 45 6.944 19.560 -4.987 1.00 0.00 C ATOM 659 CD1 LEU A 45 5.498 19.070 -4.878 1.00 0.00 C ATOM 660 CD2 LEU A 45 7.549 19.725 -3.592 1.00 0.00 C ATOM 0 H LEU A 45 9.307 17.386 -7.255 1.00 0.00 H new ATOM 0 HA LEU A 45 8.889 17.441 -4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.738 19.307 -6.131 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.317 18.583 -6.857 1.00 0.00 H new ATOM 0 HG LEU A 45 6.898 20.532 -5.478 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.942 19.723 -4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.034 19.084 -5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.487 18.053 -4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.880 20.324 -2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.684 18.744 -3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.514 20.225 -3.671 1.00 0.00 H new ATOM 672 N PRO A 46 6.386 15.719 -5.833 1.00 0.00 N ATOM 673 CA PRO A 46 5.300 14.821 -5.416 1.00 0.00 C ATOM 674 C PRO A 46 5.678 13.659 -4.470 1.00 0.00 C ATOM 675 O PRO A 46 4.780 13.000 -3.943 1.00 0.00 O ATOM 676 CB PRO A 46 4.690 14.270 -6.713 1.00 0.00 C ATOM 677 CG PRO A 46 5.006 15.345 -7.746 1.00 0.00 C ATOM 678 CD PRO A 46 6.367 15.854 -7.281 1.00 0.00 C ATOM 0 HA PRO A 46 4.611 15.408 -4.809 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.129 13.311 -6.986 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.616 14.112 -6.615 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.048 14.938 -8.756 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.256 16.136 -7.752 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.173 15.277 -7.735 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.514 16.893 -7.576 1.00 0.00 H new ATOM 686 N TYR A 47 6.973 13.391 -4.249 1.00 0.00 N ATOM 687 CA TYR A 47 7.476 12.242 -3.479 1.00 0.00 C ATOM 688 C TYR A 47 8.206 12.610 -2.176 1.00 0.00 C ATOM 689 O TYR A 47 8.715 11.717 -1.499 1.00 0.00 O ATOM 690 CB TYR A 47 8.394 11.401 -4.376 1.00 0.00 C ATOM 691 CG TYR A 47 7.712 10.765 -5.569 1.00 0.00 C ATOM 692 CD1 TYR A 47 7.130 9.486 -5.445 1.00 0.00 C ATOM 693 CD2 TYR A 47 7.696 11.433 -6.810 1.00 0.00 C ATOM 694 CE1 TYR A 47 6.547 8.874 -6.574 1.00 0.00 C ATOM 695 CE2 TYR A 47 7.109 10.826 -7.934 1.00 0.00 C ATOM 696 CZ TYR A 47 6.536 9.541 -7.819 1.00 0.00 C ATOM 697 OH TYR A 47 5.988 8.949 -8.915 1.00 0.00 O ATOM 0 H TYR A 47 7.721 13.983 -4.610 1.00 0.00 H new ATOM 0 HA TYR A 47 6.599 11.676 -3.166 1.00 0.00 H new ATOM 0 HB2 TYR A 47 9.206 12.034 -4.735 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.846 10.614 -3.772 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.131 8.979 -4.492 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.136 12.415 -6.898 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.107 7.891 -6.486 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.096 11.341 -8.883 1.00 0.00 H new ATOM 0 HH TYR A 47 6.340 9.372 -9.726 1.00 0.00 H new ATOM 707 N GLN A 48 8.270 13.888 -1.775 1.00 0.00 N ATOM 708 CA GLN A 48 9.056 14.298 -0.594 1.00 0.00 C ATOM 709 C GLN A 48 8.554 13.701 0.743 1.00 0.00 C ATOM 710 O GLN A 48 9.342 13.548 1.675 1.00 0.00 O ATOM 711 CB GLN A 48 9.168 15.829 -0.504 1.00 0.00 C ATOM 712 CG GLN A 48 9.789 16.498 -1.743 1.00 0.00 C ATOM 713 CD GLN A 48 11.114 15.883 -2.188 1.00 0.00 C ATOM 714 OE1 GLN A 48 12.186 16.250 -1.732 1.00 0.00 O ATOM 715 NE2 GLN A 48 11.097 14.936 -3.101 1.00 0.00 N ATOM 0 H GLN A 48 7.791 14.655 -2.246 1.00 0.00 H new ATOM 0 HA GLN A 48 10.049 13.877 -0.749 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.173 16.244 -0.343 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.766 16.086 0.370 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.079 16.440 -2.568 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.945 17.556 -1.531 1.00 0.00 H new ATOM 0 HE21 GLN A 48 10.209 14.619 -3.491 1.00 0.00 H new ATOM 0 HE22 GLN A 48 11.972 14.518 -3.419 1.00 0.00 H new ATOM 724 N ASP A 49 7.277 13.306 0.823 1.00 0.00 N ATOM 725 CA ASP A 49 6.681 12.595 1.974 1.00 0.00 C ATOM 726 C ASP A 49 6.729 11.051 1.840 1.00 0.00 C ATOM 727 O ASP A 49 6.188 10.333 2.685 1.00 0.00 O ATOM 728 CB ASP A 49 5.231 13.078 2.154 1.00 0.00 C ATOM 729 CG ASP A 49 5.160 14.566 2.537 1.00 0.00 C ATOM 730 OD1 ASP A 49 5.484 14.910 3.701 1.00 0.00 O ATOM 731 OD2 ASP A 49 4.758 15.394 1.685 1.00 0.00 O1- ATOM 0 H ASP A 49 6.608 13.474 0.072 1.00 0.00 H new ATOM 0 HA ASP A 49 7.279 12.831 2.854 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.678 12.915 1.229 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.744 12.482 2.926 1.00 0.00 H new ATOM 736 N LYS A 50 7.362 10.535 0.776 1.00 0.00 N ATOM 737 CA LYS A 50 7.365 9.128 0.328 1.00 0.00 C ATOM 738 C LYS A 50 8.811 8.669 0.062 1.00 0.00 C ATOM 739 O LYS A 50 9.710 9.016 0.834 1.00 0.00 O ATOM 740 CB LYS A 50 6.388 8.980 -0.861 1.00 0.00 C ATOM 741 CG LYS A 50 4.926 9.187 -0.413 1.00 0.00 C ATOM 742 CD LYS A 50 3.905 9.159 -1.557 1.00 0.00 C ATOM 743 CE LYS A 50 4.062 10.388 -2.464 1.00 0.00 C ATOM 744 NZ LYS A 50 2.947 10.506 -3.441 1.00 0.00 N1+ ATOM 0 H LYS A 50 7.924 11.126 0.163 1.00 0.00 H new ATOM 0 HA LYS A 50 6.997 8.452 1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.640 9.706 -1.634 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.498 7.990 -1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.666 8.413 0.309 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.849 10.144 0.104 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.036 8.250 -2.144 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.895 9.131 -1.148 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.103 11.288 -1.851 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.009 10.324 -3.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.216 11.168 -4.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.747 9.573 -3.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.097 10.860 -2.957 1.00 0.00 H new ATOM 758 N TYR A 51 9.047 7.877 -0.984 1.00 0.00 N ATOM 759 CA TYR A 51 10.369 7.375 -1.368 1.00 0.00 C ATOM 760 C TYR A 51 10.687 7.702 -2.832 1.00 0.00 C ATOM 761 O TYR A 51 9.797 7.922 -3.658 1.00 0.00 O ATOM 762 CB TYR A 51 10.433 5.855 -1.169 1.00 0.00 C ATOM 763 CG TYR A 51 10.236 5.307 0.229 1.00 0.00 C ATOM 764 CD1 TYR A 51 11.350 5.193 1.078 1.00 0.00 C ATOM 765 CD2 TYR A 51 9.004 4.742 0.610 1.00 0.00 C ATOM 766 CE1 TYR A 51 11.245 4.521 2.309 1.00 0.00 C ATOM 767 CE2 TYR A 51 8.902 4.026 1.822 1.00 0.00 C ATOM 768 CZ TYR A 51 10.024 3.919 2.674 1.00 0.00 C ATOM 769 OH TYR A 51 9.950 3.193 3.820 1.00 0.00 O ATOM 0 H TYR A 51 8.304 7.557 -1.606 1.00 0.00 H new ATOM 0 HA TYR A 51 11.106 7.866 -0.733 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.679 5.403 -1.813 1.00 0.00 H new ATOM 0 HB3 TYR A 51 11.404 5.513 -1.527 1.00 0.00 H new ATOM 0 HD1 TYR A 51 12.295 5.625 0.783 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.138 4.856 -0.025 1.00 0.00 H new ATOM 0 HE1 TYR A 51 12.096 4.467 2.972 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.967 3.560 2.098 1.00 0.00 H new ATOM 0 HH TYR A 51 9.523 2.331 3.634 1.00 0.00 H new ATOM 779 N VAL A 52 11.978 7.698 -3.156 1.00 0.00 N ATOM 780 CA VAL A 52 12.522 8.018 -4.487 1.00 0.00 C ATOM 781 C VAL A 52 13.753 7.162 -4.795 1.00 0.00 C ATOM 782 O VAL A 52 14.268 6.479 -3.914 1.00 0.00 O ATOM 783 CB VAL A 52 12.876 9.515 -4.604 1.00 0.00 C ATOM 784 CG1 VAL A 52 11.648 10.422 -4.502 1.00 0.00 C ATOM 785 CG2 VAL A 52 13.922 9.968 -3.586 1.00 0.00 C ATOM 0 H VAL A 52 12.705 7.465 -2.480 1.00 0.00 H new ATOM 0 HA VAL A 52 11.746 7.792 -5.219 1.00 0.00 H new ATOM 0 HB VAL A 52 13.305 9.615 -5.601 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.957 11.464 -4.591 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.950 10.181 -5.304 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.161 10.269 -3.539 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.126 11.030 -3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.546 9.797 -2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 52 14.841 9.400 -3.732 1.00 0.00 H new ATOM 795 N LEU A 53 14.224 7.166 -6.041 1.00 0.00 N ATOM 796 CA LEU A 53 15.425 6.441 -6.465 1.00 0.00 C ATOM 797 C LEU A 53 15.983 7.043 -7.763 1.00 0.00 C ATOM 798 O LEU A 53 15.250 7.584 -8.593 1.00 0.00 O ATOM 799 CB LEU A 53 15.081 4.932 -6.496 1.00 0.00 C ATOM 800 CG LEU A 53 15.581 4.041 -7.647 1.00 0.00 C ATOM 801 CD1 LEU A 53 17.051 3.632 -7.508 1.00 0.00 C ATOM 802 CD2 LEU A 53 14.784 2.736 -7.682 1.00 0.00 C ATOM 0 H LEU A 53 13.776 7.681 -6.798 1.00 0.00 H new ATOM 0 HA LEU A 53 16.252 6.548 -5.763 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.453 4.498 -5.568 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.994 4.849 -6.473 1.00 0.00 H new ATOM 0 HG LEU A 53 15.455 4.640 -8.549 1.00 0.00 H new ATOM 0 HD11 LEU A 53 17.336 3.005 -8.353 1.00 0.00 H new ATOM 0 HD12 LEU A 53 17.677 4.524 -7.491 1.00 0.00 H new ATOM 0 HD13 LEU A 53 17.188 3.075 -6.581 1.00 0.00 H new ATOM 0 HD21 LEU A 53 15.144 2.111 -8.499 1.00 0.00 H new ATOM 0 HD22 LEU A 53 14.911 2.207 -6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.728 2.959 -7.834 1.00 0.00 H new ATOM 814 N VAL A 54 17.300 6.950 -7.916 1.00 0.00 N ATOM 815 CA VAL A 54 18.077 7.632 -8.955 1.00 0.00 C ATOM 816 C VAL A 54 18.781 6.609 -9.849 1.00 0.00 C ATOM 817 O VAL A 54 19.397 5.674 -9.340 1.00 0.00 O ATOM 818 CB VAL A 54 19.135 8.524 -8.282 1.00 0.00 C ATOM 819 CG1 VAL A 54 19.896 9.380 -9.302 1.00 0.00 C ATOM 820 CG2 VAL A 54 18.541 9.459 -7.215 1.00 0.00 C ATOM 0 H VAL A 54 17.879 6.379 -7.301 1.00 0.00 H new ATOM 0 HA VAL A 54 17.405 8.235 -9.566 1.00 0.00 H new ATOM 0 HB VAL A 54 19.820 7.828 -7.797 1.00 0.00 H new ATOM 0 HG11 VAL A 54 20.633 9.994 -8.784 1.00 0.00 H new ATOM 0 HG12 VAL A 54 20.402 8.731 -10.016 1.00 0.00 H new ATOM 0 HG13 VAL A 54 19.194 10.024 -9.832 1.00 0.00 H new ATOM 0 HG21 VAL A 54 19.336 10.062 -6.777 1.00 0.00 H new ATOM 0 HG22 VAL A 54 17.801 10.113 -7.676 1.00 0.00 H new ATOM 0 HG23 VAL A 54 18.064 8.865 -6.435 1.00 0.00 H new ATOM 830 N VAL A 55 18.737 6.803 -11.168 1.00 0.00 N ATOM 831 CA VAL A 55 19.414 5.961 -12.174 1.00 0.00 C ATOM 832 C VAL A 55 20.084 6.899 -13.189 1.00 0.00 C ATOM 833 O VAL A 55 19.485 7.296 -14.186 1.00 0.00 O ATOM 834 CB VAL A 55 18.442 4.947 -12.813 1.00 0.00 C ATOM 835 CG1 VAL A 55 19.235 3.898 -13.598 1.00 0.00 C ATOM 836 CG2 VAL A 55 17.599 4.178 -11.783 1.00 0.00 C ATOM 0 H VAL A 55 18.215 7.573 -11.586 1.00 0.00 H new ATOM 0 HA VAL A 55 20.183 5.343 -11.710 1.00 0.00 H new ATOM 0 HB VAL A 55 17.777 5.533 -13.447 1.00 0.00 H new ATOM 0 HG11 VAL A 55 18.546 3.183 -14.048 1.00 0.00 H new ATOM 0 HG12 VAL A 55 19.812 4.389 -14.382 1.00 0.00 H new ATOM 0 HG13 VAL A 55 19.912 3.374 -12.924 1.00 0.00 H new ATOM 0 HG21 VAL A 55 16.938 3.483 -12.300 1.00 0.00 H new ATOM 0 HG22 VAL A 55 18.258 3.623 -11.115 1.00 0.00 H new ATOM 0 HG23 VAL A 55 17.003 4.882 -11.203 1.00 0.00 H new ATOM 846 N THR A 56 21.344 7.267 -12.941 1.00 0.00 N ATOM 847 CA THR A 56 22.037 8.360 -13.667 1.00 0.00 C ATOM 848 C THR A 56 23.455 7.999 -14.134 1.00 0.00 C ATOM 849 O THR A 56 24.002 6.961 -13.776 1.00 0.00 O ATOM 850 CB THR A 56 21.993 9.608 -12.748 1.00 0.00 C ATOM 851 OG1 THR A 56 20.646 10.001 -12.639 1.00 0.00 O ATOM 852 CG2 THR A 56 22.730 10.864 -13.204 1.00 0.00 C ATOM 0 H THR A 56 21.923 6.820 -12.230 1.00 0.00 H new ATOM 0 HA THR A 56 21.521 8.561 -14.606 1.00 0.00 H new ATOM 0 HB THR A 56 22.492 9.275 -11.838 1.00 0.00 H new ATOM 0 HG1 THR A 56 20.560 10.684 -11.942 1.00 0.00 H new ATOM 0 HG21 THR A 56 22.607 11.649 -12.458 1.00 0.00 H new ATOM 0 HG22 THR A 56 23.790 10.640 -13.324 1.00 0.00 H new ATOM 0 HG23 THR A 56 22.320 11.201 -14.156 1.00 0.00 H new ATOM 860 N SER A 57 24.041 8.839 -14.993 1.00 0.00 N ATOM 861 CA SER A 57 25.315 8.589 -15.685 1.00 0.00 C ATOM 862 C SER A 57 26.199 9.842 -15.811 1.00 0.00 C ATOM 863 O SER A 57 25.881 10.875 -15.229 1.00 0.00 O ATOM 864 CB SER A 57 25.000 7.953 -17.045 1.00 0.00 C ATOM 865 OG SER A 57 24.275 8.866 -17.850 1.00 0.00 O ATOM 0 H SER A 57 23.631 9.741 -15.235 1.00 0.00 H new ATOM 0 HA SER A 57 25.913 7.903 -15.085 1.00 0.00 H new ATOM 0 HB2 SER A 57 25.925 7.669 -17.546 1.00 0.00 H new ATOM 0 HB3 SER A 57 24.421 7.040 -16.904 1.00 0.00 H new ATOM 0 HG SER A 57 23.439 9.107 -17.399 1.00 0.00 H new ATOM 871 N THR A 58 27.330 9.749 -16.527 1.00 0.00 N ATOM 872 CA THR A 58 28.370 10.804 -16.600 1.00 0.00 C ATOM 873 C THR A 58 28.769 11.078 -18.059 1.00 0.00 C ATOM 874 O THR A 58 28.974 10.139 -18.820 1.00 0.00 O ATOM 875 CB THR A 58 29.608 10.373 -15.793 1.00 0.00 C ATOM 876 OG1 THR A 58 29.233 9.880 -14.527 1.00 0.00 O ATOM 877 CG2 THR A 58 30.572 11.518 -15.512 1.00 0.00 C ATOM 0 H THR A 58 27.558 8.926 -17.084 1.00 0.00 H new ATOM 0 HA THR A 58 27.961 11.721 -16.176 1.00 0.00 H new ATOM 0 HB THR A 58 30.092 9.618 -16.412 1.00 0.00 H new ATOM 0 HG1 THR A 58 28.820 8.997 -14.629 1.00 0.00 H new ATOM 0 HG21 THR A 58 31.422 11.146 -14.940 1.00 0.00 H new ATOM 0 HG22 THR A 58 30.924 11.937 -16.455 1.00 0.00 H new ATOM 0 HG23 THR A 58 30.061 12.292 -14.940 1.00 0.00 H new ATOM 885 N THR A 59 28.895 12.347 -18.456 1.00 0.00 N ATOM 886 CA THR A 59 29.135 12.812 -19.832 1.00 0.00 C ATOM 887 C THR A 59 29.850 14.177 -19.808 1.00 0.00 C ATOM 888 O THR A 59 30.337 14.603 -18.761 1.00 0.00 O ATOM 889 CB THR A 59 27.792 12.836 -20.595 1.00 0.00 C ATOM 890 OG1 THR A 59 27.993 13.037 -21.968 1.00 0.00 O ATOM 891 CG2 THR A 59 26.846 13.953 -20.172 1.00 0.00 C ATOM 0 H THR A 59 28.830 13.121 -17.795 1.00 0.00 H new ATOM 0 HA THR A 59 29.798 12.130 -20.364 1.00 0.00 H new ATOM 0 HB THR A 59 27.351 11.867 -20.361 1.00 0.00 H new ATOM 0 HG1 THR A 59 27.151 12.888 -22.447 1.00 0.00 H new ATOM 0 HG21 THR A 59 25.929 13.895 -20.758 1.00 0.00 H new ATOM 0 HG22 THR A 59 26.608 13.847 -19.114 1.00 0.00 H new ATOM 0 HG23 THR A 59 27.324 14.918 -20.341 1.00 0.00 H new ATOM 930 N ASP A 63 30.528 15.130 -15.983 1.00 0.00 N ATOM 931 CA ASP A 63 29.384 15.667 -15.237 1.00 0.00 C ATOM 932 C ASP A 63 28.033 15.031 -15.624 1.00 0.00 C ATOM 933 O ASP A 63 27.944 14.209 -16.539 1.00 0.00 O ATOM 934 CB ASP A 63 29.348 17.177 -15.528 1.00 0.00 C ATOM 935 CG ASP A 63 30.449 17.931 -14.762 1.00 0.00 C ATOM 936 OD1 ASP A 63 30.302 18.106 -13.527 1.00 0.00 O ATOM 937 OD2 ASP A 63 31.438 18.374 -15.392 1.00 0.00 O1- ATOM 0 HA ASP A 63 29.517 15.440 -14.179 1.00 0.00 H new ATOM 0 HB2 ASP A 63 29.470 17.344 -16.598 1.00 0.00 H new ATOM 0 HB3 ASP A 63 28.373 17.578 -15.252 1.00 0.00 H new ATOM 942 N LEU A 64 26.967 15.431 -14.922 1.00 0.00 N ATOM 943 CA LEU A 64 25.573 15.101 -15.241 1.00 0.00 C ATOM 944 C LEU A 64 25.169 15.480 -16.692 1.00 0.00 C ATOM 945 O LEU A 64 25.483 16.592 -17.131 1.00 0.00 O ATOM 946 CB LEU A 64 24.657 15.869 -14.267 1.00 0.00 C ATOM 947 CG LEU A 64 24.700 15.396 -12.803 1.00 0.00 C ATOM 948 CD1 LEU A 64 23.916 16.365 -11.926 1.00 0.00 C ATOM 949 CD2 LEU A 64 24.064 14.020 -12.644 1.00 0.00 C ATOM 0 H LEU A 64 27.053 16.013 -14.089 1.00 0.00 H new ATOM 0 HA LEU A 64 25.466 14.020 -15.146 1.00 0.00 H new ATOM 0 HB2 LEU A 64 24.928 16.924 -14.297 1.00 0.00 H new ATOM 0 HB3 LEU A 64 23.630 15.793 -14.625 1.00 0.00 H new ATOM 0 HG LEU A 64 25.748 15.352 -12.507 1.00 0.00 H new ATOM 0 HD11 LEU A 64 23.949 16.027 -10.890 1.00 0.00 H new ATOM 0 HD12 LEU A 64 24.358 17.359 -11.997 1.00 0.00 H new ATOM 0 HD13 LEU A 64 22.880 16.403 -12.262 1.00 0.00 H new ATOM 0 HD21 LEU A 64 24.111 13.716 -11.598 1.00 0.00 H new ATOM 0 HD22 LEU A 64 23.023 14.061 -12.963 1.00 0.00 H new ATOM 0 HD23 LEU A 64 24.603 13.297 -13.257 1.00 0.00 H new ATOM 961 N PRO A 65 24.440 14.610 -17.427 1.00 0.00 N ATOM 962 CA PRO A 65 23.823 14.953 -18.710 1.00 0.00 C ATOM 963 C PRO A 65 22.767 16.050 -18.550 1.00 0.00 C ATOM 964 O PRO A 65 22.061 16.106 -17.540 1.00 0.00 O ATOM 965 CB PRO A 65 23.171 13.661 -19.231 1.00 0.00 C ATOM 966 CG PRO A 65 23.845 12.553 -18.425 1.00 0.00 C ATOM 967 CD PRO A 65 24.124 13.234 -17.091 1.00 0.00 C ATOM 0 HA PRO A 65 24.570 15.339 -19.403 1.00 0.00 H new ATOM 0 HB2 PRO A 65 22.092 13.668 -19.075 1.00 0.00 H new ATOM 0 HB3 PRO A 65 23.337 13.534 -20.301 1.00 0.00 H new ATOM 0 HG2 PRO A 65 23.197 11.685 -18.309 1.00 0.00 H new ATOM 0 HG3 PRO A 65 24.761 12.205 -18.902 1.00 0.00 H new ATOM 0 HD2 PRO A 65 23.258 13.178 -16.431 1.00 0.00 H new ATOM 0 HD3 PRO A 65 24.953 12.755 -16.570 1.00 0.00 H new ATOM 975 N ASP A 66 22.564 16.872 -19.578 1.00 0.00 N ATOM 976 CA ASP A 66 21.552 17.935 -19.540 1.00 0.00 C ATOM 977 C ASP A 66 20.108 17.427 -19.340 1.00 0.00 C ATOM 978 O ASP A 66 19.249 18.181 -18.881 1.00 0.00 O ATOM 979 CB ASP A 66 21.675 18.851 -20.764 1.00 0.00 C ATOM 980 CG ASP A 66 21.184 18.189 -22.061 1.00 0.00 C ATOM 981 OD1 ASP A 66 21.971 17.453 -22.699 1.00 0.00 O1- ATOM 982 OD2 ASP A 66 20.014 18.420 -22.455 1.00 0.00 O ATOM 0 H ASP A 66 23.087 16.825 -20.452 1.00 0.00 H new ATOM 0 HA ASP A 66 21.765 18.522 -18.646 1.00 0.00 H new ATOM 0 HB2 ASP A 66 21.103 19.762 -20.588 1.00 0.00 H new ATOM 0 HB3 ASP A 66 22.717 19.148 -20.886 1.00 0.00 H new ATOM 987 N SER A 67 19.866 16.132 -19.577 1.00 0.00 N ATOM 988 CA SER A 67 18.629 15.403 -19.252 1.00 0.00 C ATOM 989 C SER A 67 18.234 15.442 -17.762 1.00 0.00 C ATOM 990 O SER A 67 17.087 15.140 -17.437 1.00 0.00 O ATOM 991 CB SER A 67 18.779 13.931 -19.674 1.00 0.00 C ATOM 992 OG SER A 67 19.261 13.814 -21.005 1.00 0.00 O ATOM 0 H SER A 67 20.561 15.532 -20.023 1.00 0.00 H new ATOM 0 HA SER A 67 17.836 15.911 -19.801 1.00 0.00 H new ATOM 0 HB2 SER A 67 19.463 13.425 -18.993 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.816 13.428 -19.590 1.00 0.00 H new ATOM 0 HG SER A 67 19.774 12.984 -21.095 1.00 0.00 H new ATOM 998 N ILE A 68 19.162 15.789 -16.850 1.00 0.00 N ATOM 999 CA ILE A 68 18.918 15.870 -15.392 1.00 0.00 C ATOM 1000 C ILE A 68 19.522 17.114 -14.719 1.00 0.00 C ATOM 1001 O ILE A 68 19.161 17.422 -13.587 1.00 0.00 O ATOM 1002 CB ILE A 68 19.373 14.557 -14.716 1.00 0.00 C ATOM 1003 CG1 ILE A 68 18.758 14.371 -13.314 1.00 0.00 C ATOM 1004 CG2 ILE A 68 20.907 14.447 -14.694 1.00 0.00 C ATOM 1005 CD1 ILE A 68 19.002 12.992 -12.691 1.00 0.00 C ATOM 0 H ILE A 68 20.120 16.026 -17.108 1.00 0.00 H new ATOM 0 HA ILE A 68 17.844 15.990 -15.254 1.00 0.00 H new ATOM 0 HB ILE A 68 18.993 13.735 -15.323 1.00 0.00 H new ATOM 0 HG12 ILE A 68 19.164 15.133 -12.649 1.00 0.00 H new ATOM 0 HG13 ILE A 68 17.683 14.542 -13.377 1.00 0.00 H new ATOM 0 HG21 ILE A 68 21.198 13.513 -14.213 1.00 0.00 H new ATOM 0 HG22 ILE A 68 21.288 14.463 -15.715 1.00 0.00 H new ATOM 0 HG23 ILE A 68 21.324 15.287 -14.139 1.00 0.00 H new ATOM 0 HD11 ILE A 68 18.535 12.950 -11.707 1.00 0.00 H new ATOM 0 HD12 ILE A 68 18.571 12.222 -13.331 1.00 0.00 H new ATOM 0 HD13 ILE A 68 20.074 12.822 -12.592 1.00 0.00 H new ATOM 1017 N VAL A 69 20.369 17.894 -15.404 1.00 0.00 N ATOM 1018 CA VAL A 69 20.867 19.194 -14.901 1.00 0.00 C ATOM 1019 C VAL A 69 19.759 20.103 -14.332 1.00 0.00 C ATOM 1020 O VAL A 69 19.955 20.588 -13.219 1.00 0.00 O ATOM 1021 CB VAL A 69 21.728 19.917 -15.960 1.00 0.00 C ATOM 1022 CG1 VAL A 69 22.067 21.371 -15.598 1.00 0.00 C ATOM 1023 CG2 VAL A 69 23.066 19.186 -16.134 1.00 0.00 C ATOM 0 H VAL A 69 20.732 17.646 -16.324 1.00 0.00 H new ATOM 0 HA VAL A 69 21.510 18.962 -14.052 1.00 0.00 H new ATOM 0 HB VAL A 69 21.126 19.915 -16.869 1.00 0.00 H new ATOM 0 HG11 VAL A 69 22.673 21.811 -16.390 1.00 0.00 H new ATOM 0 HG12 VAL A 69 21.146 21.942 -15.486 1.00 0.00 H new ATOM 0 HG13 VAL A 69 22.623 21.392 -14.661 1.00 0.00 H new ATOM 0 HG21 VAL A 69 23.668 19.702 -16.882 1.00 0.00 H new ATOM 0 HG22 VAL A 69 23.600 19.174 -15.184 1.00 0.00 H new ATOM 0 HG23 VAL A 69 22.882 18.162 -16.459 1.00 0.00 H new ATOM 1033 N PRO A 70 18.582 20.302 -14.965 1.00 0.00 N ATOM 1034 CA PRO A 70 17.533 21.146 -14.381 1.00 0.00 C ATOM 1035 C PRO A 70 16.892 20.553 -13.112 1.00 0.00 C ATOM 1036 O PRO A 70 16.467 21.310 -12.239 1.00 0.00 O ATOM 1037 CB PRO A 70 16.512 21.362 -15.504 1.00 0.00 C ATOM 1038 CG PRO A 70 16.674 20.132 -16.391 1.00 0.00 C ATOM 1039 CD PRO A 70 18.172 19.851 -16.292 1.00 0.00 C ATOM 0 HA PRO A 70 17.955 22.087 -14.029 1.00 0.00 H new ATOM 0 HB2 PRO A 70 15.498 21.441 -15.112 1.00 0.00 H new ATOM 0 HB3 PRO A 70 16.713 22.281 -16.055 1.00 0.00 H new ATOM 0 HG2 PRO A 70 16.079 19.292 -16.033 1.00 0.00 H new ATOM 0 HG3 PRO A 70 16.364 20.328 -17.418 1.00 0.00 H new ATOM 0 HD2 PRO A 70 18.379 18.789 -16.424 1.00 0.00 H new ATOM 0 HD3 PRO A 70 18.720 20.381 -17.071 1.00 0.00 H new ATOM 1047 N LEU A 71 16.869 19.220 -12.956 1.00 0.00 N ATOM 1048 CA LEU A 71 16.449 18.572 -11.706 1.00 0.00 C ATOM 1049 C LEU A 71 17.478 18.817 -10.593 1.00 0.00 C ATOM 1050 O LEU A 71 17.127 19.226 -9.488 1.00 0.00 O ATOM 1051 CB LEU A 71 16.226 17.057 -11.947 1.00 0.00 C ATOM 1052 CG LEU A 71 15.788 16.311 -10.674 1.00 0.00 C ATOM 1053 CD1 LEU A 71 14.458 16.833 -10.144 1.00 0.00 C ATOM 1054 CD2 LEU A 71 15.623 14.813 -10.923 1.00 0.00 C ATOM 0 H LEU A 71 17.140 18.565 -13.689 1.00 0.00 H new ATOM 0 HA LEU A 71 15.506 19.010 -11.379 1.00 0.00 H new ATOM 0 HB2 LEU A 71 15.469 16.924 -12.720 1.00 0.00 H new ATOM 0 HB3 LEU A 71 17.148 16.614 -12.324 1.00 0.00 H new ATOM 0 HG LEU A 71 16.579 16.485 -9.944 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.183 16.281 -9.245 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.552 17.892 -9.905 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.686 16.699 -10.902 1.00 0.00 H new ATOM 0 HD21 LEU A 71 15.313 14.323 -10.000 1.00 0.00 H new ATOM 0 HD22 LEU A 71 14.866 14.653 -11.691 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.572 14.393 -11.256 1.00 0.00 H new ATOM 1066 N PHE A 72 18.755 18.615 -10.915 1.00 0.00 N ATOM 1067 CA PHE A 72 19.891 18.849 -10.030 1.00 0.00 C ATOM 1068 C PHE A 72 19.973 20.315 -9.554 1.00 0.00 C ATOM 1069 O PHE A 72 20.046 20.566 -8.352 1.00 0.00 O ATOM 1070 CB PHE A 72 21.129 18.339 -10.786 1.00 0.00 C ATOM 1071 CG PHE A 72 22.463 18.907 -10.360 1.00 0.00 C ATOM 1072 CD1 PHE A 72 23.125 18.400 -9.228 1.00 0.00 C ATOM 1073 CD2 PHE A 72 23.072 19.901 -11.146 1.00 0.00 C ATOM 1074 CE1 PHE A 72 24.397 18.891 -8.878 1.00 0.00 C ATOM 1075 CE2 PHE A 72 24.351 20.382 -10.806 1.00 0.00 C ATOM 1076 CZ PHE A 72 25.011 19.880 -9.669 1.00 0.00 C ATOM 0 H PHE A 72 19.035 18.271 -11.834 1.00 0.00 H new ATOM 0 HA PHE A 72 19.796 18.305 -9.090 1.00 0.00 H new ATOM 0 HB2 PHE A 72 21.171 17.255 -10.680 1.00 0.00 H new ATOM 0 HB3 PHE A 72 20.992 18.550 -11.846 1.00 0.00 H new ATOM 0 HD1 PHE A 72 22.658 17.634 -8.627 1.00 0.00 H new ATOM 0 HD2 PHE A 72 22.559 20.296 -12.011 1.00 0.00 H new ATOM 0 HE1 PHE A 72 24.902 18.509 -8.003 1.00 0.00 H new ATOM 0 HE2 PHE A 72 24.825 21.136 -11.417 1.00 0.00 H new ATOM 0 HZ PHE A 72 25.989 20.254 -9.403 1.00 0.00 H new ATOM 1086 N GLN A 73 19.851 21.291 -10.462 1.00 0.00 N ATOM 1087 CA GLN A 73 19.742 22.714 -10.103 1.00 0.00 C ATOM 1088 C GLN A 73 18.514 22.996 -9.226 1.00 0.00 C ATOM 1089 O GLN A 73 18.642 23.624 -8.178 1.00 0.00 O ATOM 1090 CB GLN A 73 19.695 23.583 -11.374 1.00 0.00 C ATOM 1091 CG GLN A 73 20.991 23.591 -12.199 1.00 0.00 C ATOM 1092 CD GLN A 73 22.172 24.187 -11.441 1.00 0.00 C ATOM 1093 OE1 GLN A 73 22.393 25.391 -11.414 1.00 0.00 O ATOM 1094 NE2 GLN A 73 22.977 23.367 -10.795 1.00 0.00 N ATOM 0 H GLN A 73 19.825 21.118 -11.467 1.00 0.00 H new ATOM 0 HA GLN A 73 20.627 22.970 -9.521 1.00 0.00 H new ATOM 0 HB2 GLN A 73 18.880 23.232 -12.007 1.00 0.00 H new ATOM 0 HB3 GLN A 73 19.457 24.607 -11.088 1.00 0.00 H new ATOM 0 HG2 GLN A 73 21.234 22.571 -12.496 1.00 0.00 H new ATOM 0 HG3 GLN A 73 20.829 24.159 -13.115 1.00 0.00 H new ATOM 0 HE21 GLN A 73 22.802 22.362 -10.811 1.00 0.00 H new ATOM 0 HE22 GLN A 73 23.775 23.737 -10.279 1.00 0.00 H new ATOM 1103 N GLY A 74 17.333 22.509 -9.618 1.00 0.00 N ATOM 1104 CA GLY A 74 16.060 22.802 -8.954 1.00 0.00 C ATOM 1105 C GLY A 74 15.987 22.282 -7.522 1.00 0.00 C ATOM 1106 O GLY A 74 15.595 23.024 -6.622 1.00 0.00 O ATOM 0 H GLY A 74 17.233 21.888 -10.421 1.00 0.00 H new ATOM 0 HA2 GLY A 74 15.902 23.880 -8.949 1.00 0.00 H new ATOM 0 HA3 GLY A 74 15.248 22.363 -9.533 1.00 0.00 H new ATOM 1110 N ILE A 75 16.424 21.041 -7.270 1.00 0.00 N ATOM 1111 CA ILE A 75 16.502 20.487 -5.914 1.00 0.00 C ATOM 1112 C ILE A 75 17.478 21.304 -5.055 1.00 0.00 C ATOM 1113 O ILE A 75 17.146 21.655 -3.919 1.00 0.00 O ATOM 1114 CB ILE A 75 16.907 19.000 -5.990 1.00 0.00 C ATOM 1115 CG1 ILE A 75 15.752 18.142 -6.558 1.00 0.00 C ATOM 1116 CG2 ILE A 75 17.349 18.451 -4.617 1.00 0.00 C ATOM 1117 CD1 ILE A 75 16.179 16.711 -6.913 1.00 0.00 C ATOM 0 H ILE A 75 16.732 20.396 -7.998 1.00 0.00 H new ATOM 0 HA ILE A 75 15.525 20.549 -5.435 1.00 0.00 H new ATOM 0 HB ILE A 75 17.760 18.937 -6.665 1.00 0.00 H new ATOM 0 HG12 ILE A 75 14.944 18.102 -5.827 1.00 0.00 H new ATOM 0 HG13 ILE A 75 15.352 18.626 -7.449 1.00 0.00 H new ATOM 0 HG21 ILE A 75 17.625 17.401 -4.717 1.00 0.00 H new ATOM 0 HG22 ILE A 75 18.207 19.019 -4.257 1.00 0.00 H new ATOM 0 HG23 ILE A 75 16.528 18.544 -3.906 1.00 0.00 H new ATOM 0 HD11 ILE A 75 15.323 16.163 -7.306 1.00 0.00 H new ATOM 0 HD12 ILE A 75 16.966 16.742 -7.666 1.00 0.00 H new ATOM 0 HD13 ILE A 75 16.552 16.210 -6.019 1.00 0.00 H new ATOM 1129 N LYS A 76 18.667 21.632 -5.583 1.00 0.00 N ATOM 1130 CA LYS A 76 19.695 22.379 -4.840 1.00 0.00 C ATOM 1131 C LYS A 76 19.215 23.779 -4.436 1.00 0.00 C ATOM 1132 O LYS A 76 19.366 24.188 -3.285 1.00 0.00 O ATOM 1133 CB LYS A 76 20.983 22.463 -5.678 1.00 0.00 C ATOM 1134 CG LYS A 76 22.167 22.904 -4.804 1.00 0.00 C ATOM 1135 CD LYS A 76 23.511 22.793 -5.533 1.00 0.00 C ATOM 1136 CE LYS A 76 23.668 23.836 -6.650 1.00 0.00 C ATOM 1137 NZ LYS A 76 25.076 23.904 -7.136 1.00 0.00 N1+ ATOM 0 H LYS A 76 18.943 21.388 -6.534 1.00 0.00 H new ATOM 0 HA LYS A 76 19.900 21.839 -3.916 1.00 0.00 H new ATOM 0 HB2 LYS A 76 21.196 21.492 -6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.845 23.169 -6.497 1.00 0.00 H new ATOM 0 HG2 LYS A 76 22.015 23.935 -4.486 1.00 0.00 H new ATOM 0 HG3 LYS A 76 22.196 22.293 -3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 76 24.321 22.913 -4.813 1.00 0.00 H new ATOM 0 HD3 LYS A 76 23.608 21.794 -5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 76 23.007 23.585 -7.480 1.00 0.00 H new ATOM 0 HE3 LYS A 76 23.361 24.815 -6.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 25.149 24.617 -7.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 25.703 24.167 -6.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 25.360 22.976 -7.509 1.00 0.00 H new ATOM 1151 N ASP A 77 18.623 24.494 -5.387 1.00 0.00 N ATOM 1152 CA ASP A 77 18.210 25.893 -5.263 1.00 0.00 C ATOM 1153 C ASP A 77 16.868 26.096 -4.537 1.00 0.00 C ATOM 1154 O ASP A 77 16.742 27.045 -3.758 1.00 0.00 O ATOM 1155 CB ASP A 77 18.119 26.460 -6.687 1.00 0.00 C ATOM 1156 CG ASP A 77 17.448 27.843 -6.739 1.00 0.00 C ATOM 1157 OD1 ASP A 77 18.157 28.873 -6.619 1.00 0.00 O1- ATOM 1158 OD2 ASP A 77 16.205 27.890 -6.909 1.00 0.00 O ATOM 0 H ASP A 77 18.408 24.101 -6.303 1.00 0.00 H new ATOM 0 HA ASP A 77 18.948 26.410 -4.649 1.00 0.00 H new ATOM 0 HB2 ASP A 77 19.122 26.532 -7.109 1.00 0.00 H new ATOM 0 HB3 ASP A 77 17.559 25.766 -7.314 1.00 0.00 H new ATOM 1163 N SER A 78 15.891 25.201 -4.751 1.00 0.00 N ATOM 1164 CA SER A 78 14.501 25.418 -4.305 1.00 0.00 C ATOM 1165 C SER A 78 13.903 24.370 -3.343 1.00 0.00 C ATOM 1166 O SER A 78 12.708 24.442 -3.052 1.00 0.00 O ATOM 1167 CB SER A 78 13.619 25.671 -5.542 1.00 0.00 C ATOM 1168 OG SER A 78 13.777 26.998 -6.029 1.00 0.00 O ATOM 0 H SER A 78 16.037 24.314 -5.233 1.00 0.00 H new ATOM 0 HA SER A 78 14.525 26.299 -3.664 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.878 24.960 -6.327 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.574 25.497 -5.287 1.00 0.00 H new ATOM 0 HG SER A 78 14.709 27.139 -6.297 1.00 0.00 H new ATOM 1174 N LEU A 79 14.703 23.443 -2.786 1.00 0.00 N ATOM 1175 CA LEU A 79 14.266 22.550 -1.685 1.00 0.00 C ATOM 1176 C LEU A 79 15.139 22.699 -0.424 1.00 0.00 C ATOM 1177 O LEU A 79 14.600 22.863 0.671 1.00 0.00 O ATOM 1178 CB LEU A 79 14.198 21.081 -2.146 1.00 0.00 C ATOM 1179 CG LEU A 79 13.102 20.777 -3.186 1.00 0.00 C ATOM 1180 CD1 LEU A 79 13.192 19.309 -3.594 1.00 0.00 C ATOM 1181 CD2 LEU A 79 11.688 21.010 -2.646 1.00 0.00 C ATOM 0 H LEU A 79 15.667 23.288 -3.081 1.00 0.00 H new ATOM 0 HA LEU A 79 13.259 22.864 -1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 79 15.164 20.802 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.036 20.449 -1.273 1.00 0.00 H new ATOM 0 HG LEU A 79 13.271 21.453 -4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.419 19.088 -4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 79 14.172 19.111 -4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 79 13.049 18.678 -2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.959 20.779 -3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.517 20.364 -1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.580 22.052 -2.345 1.00 0.00 H new ATOM 1193 N GLY A 80 16.472 22.696 -0.563 1.00 0.00 N ATOM 1194 CA GLY A 80 17.448 23.039 0.488 1.00 0.00 C ATOM 1195 C GLY A 80 17.626 22.060 1.667 1.00 0.00 C ATOM 1196 O GLY A 80 18.746 21.910 2.158 1.00 0.00 O ATOM 0 H GLY A 80 16.920 22.445 -1.444 1.00 0.00 H new ATOM 0 HA2 GLY A 80 18.420 23.165 0.011 1.00 0.00 H new ATOM 0 HA3 GLY A 80 17.167 24.008 0.900 1.00 0.00 H new ATOM 1200 N PHE A 81 16.567 21.384 2.127 1.00 0.00 N ATOM 1201 CA PHE A 81 16.573 20.505 3.308 1.00 0.00 C ATOM 1202 C PHE A 81 15.429 19.474 3.251 1.00 0.00 C ATOM 1203 O PHE A 81 14.305 19.815 2.873 1.00 0.00 O ATOM 1204 CB PHE A 81 16.440 21.391 4.559 1.00 0.00 C ATOM 1205 CG PHE A 81 16.509 20.675 5.896 1.00 0.00 C ATOM 1206 CD1 PHE A 81 17.631 19.890 6.230 1.00 0.00 C ATOM 1207 CD2 PHE A 81 15.478 20.850 6.841 1.00 0.00 C ATOM 1208 CE1 PHE A 81 17.715 19.280 7.495 1.00 0.00 C ATOM 1209 CE2 PHE A 81 15.569 20.248 8.108 1.00 0.00 C ATOM 1210 CZ PHE A 81 16.687 19.461 8.437 1.00 0.00 C ATOM 0 H PHE A 81 15.653 21.433 1.676 1.00 0.00 H new ATOM 0 HA PHE A 81 17.505 19.941 3.337 1.00 0.00 H new ATOM 0 HB2 PHE A 81 17.228 22.143 4.532 1.00 0.00 H new ATOM 0 HB3 PHE A 81 15.490 21.923 4.503 1.00 0.00 H new ATOM 0 HD1 PHE A 81 18.428 19.756 5.513 1.00 0.00 H new ATOM 0 HD2 PHE A 81 14.615 21.449 6.591 1.00 0.00 H new ATOM 0 HE1 PHE A 81 18.572 18.671 7.743 1.00 0.00 H new ATOM 0 HE2 PHE A 81 14.779 20.390 8.830 1.00 0.00 H new ATOM 0 HZ PHE A 81 16.756 18.997 9.410 1.00 0.00 H new ATOM 1220 N GLN A 82 15.713 18.214 3.613 1.00 0.00 N ATOM 1221 CA GLN A 82 14.782 17.083 3.494 1.00 0.00 C ATOM 1222 C GLN A 82 15.138 15.892 4.426 1.00 0.00 C ATOM 1223 O GLN A 82 15.442 14.799 3.950 1.00 0.00 O ATOM 1224 CB GLN A 82 14.690 16.659 2.009 1.00 0.00 C ATOM 1225 CG GLN A 82 13.287 16.132 1.671 1.00 0.00 C ATOM 1226 CD GLN A 82 12.235 17.245 1.676 1.00 0.00 C ATOM 1227 OE1 GLN A 82 11.610 17.546 2.685 1.00 0.00 O ATOM 1228 NE2 GLN A 82 11.996 17.899 0.560 1.00 0.00 N ATOM 0 H GLN A 82 16.616 17.948 4.005 1.00 0.00 H new ATOM 0 HA GLN A 82 13.801 17.414 3.835 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.926 17.509 1.369 1.00 0.00 H new ATOM 0 HB3 GLN A 82 15.432 15.888 1.801 1.00 0.00 H new ATOM 0 HG2 GLN A 82 13.306 15.656 0.690 1.00 0.00 H new ATOM 0 HG3 GLN A 82 13.005 15.365 2.392 1.00 0.00 H new ATOM 0 HE21 GLN A 82 12.507 17.661 -0.290 1.00 0.00 H new ATOM 0 HE22 GLN A 82 11.299 18.644 0.545 1.00 0.00 H new ATOM 1237 N PRO A 83 15.100 16.059 5.766 1.00 0.00 N ATOM 1238 CA PRO A 83 15.623 15.086 6.742 1.00 0.00 C ATOM 1239 C PRO A 83 14.955 13.695 6.763 1.00 0.00 C ATOM 1240 O PRO A 83 15.510 12.758 7.342 1.00 0.00 O ATOM 1241 CB PRO A 83 15.486 15.777 8.106 1.00 0.00 C ATOM 1242 CG PRO A 83 14.341 16.767 7.902 1.00 0.00 C ATOM 1243 CD PRO A 83 14.539 17.211 6.455 1.00 0.00 C ATOM 0 HA PRO A 83 16.648 14.842 6.462 1.00 0.00 H new ATOM 0 HB2 PRO A 83 15.259 15.061 8.896 1.00 0.00 H new ATOM 0 HB3 PRO A 83 16.407 16.285 8.391 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.368 16.299 8.053 1.00 0.00 H new ATOM 0 HG3 PRO A 83 14.402 17.606 8.595 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.594 17.515 6.005 1.00 0.00 H new ATOM 0 HD3 PRO A 83 15.210 18.068 6.396 1.00 0.00 H new ATOM 1251 N ASN A 84 13.780 13.541 6.145 1.00 0.00 N ATOM 1252 CA ASN A 84 12.912 12.358 6.241 1.00 0.00 C ATOM 1253 C ASN A 84 12.622 11.666 4.886 1.00 0.00 C ATOM 1254 O ASN A 84 11.933 10.643 4.856 1.00 0.00 O ATOM 1255 CB ASN A 84 11.622 12.779 6.975 1.00 0.00 C ATOM 1256 CG ASN A 84 10.786 13.827 6.244 1.00 0.00 C ATOM 1257 OD1 ASN A 84 11.187 14.425 5.254 1.00 0.00 O ATOM 1258 ND2 ASN A 84 9.597 14.098 6.729 1.00 0.00 N ATOM 0 H ASN A 84 13.390 14.264 5.540 1.00 0.00 H new ATOM 0 HA ASN A 84 13.439 11.590 6.807 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.008 11.894 7.139 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.889 13.168 7.958 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.012 14.804 6.281 1.00 0.00 H new ATOM 0 HD22 ASN A 84 9.258 13.603 7.554 1.00 0.00 H new ATOM 1265 N LEU A 85 13.156 12.185 3.773 1.00 0.00 N ATOM 1266 CA LEU A 85 13.131 11.521 2.465 1.00 0.00 C ATOM 1267 C LEU A 85 14.120 10.343 2.466 1.00 0.00 C ATOM 1268 O LEU A 85 15.217 10.449 3.012 1.00 0.00 O ATOM 1269 CB LEU A 85 13.456 12.553 1.373 1.00 0.00 C ATOM 1270 CG LEU A 85 13.461 12.013 -0.069 1.00 0.00 C ATOM 1271 CD1 LEU A 85 12.112 11.414 -0.470 1.00 0.00 C ATOM 1272 CD2 LEU A 85 13.774 13.157 -1.028 1.00 0.00 C ATOM 0 H LEU A 85 13.624 13.091 3.756 1.00 0.00 H new ATOM 0 HA LEU A 85 12.141 11.114 2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 85 12.730 13.364 1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.435 12.984 1.584 1.00 0.00 H new ATOM 0 HG LEU A 85 14.215 11.227 -0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.167 11.047 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 85 11.867 10.588 0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 85 11.339 12.179 -0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 85 13.779 12.783 -2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 85 13.015 13.933 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 85 14.752 13.575 -0.789 1.00 0.00 H new ATOM 1284 N ARG A 86 13.746 9.233 1.818 1.00 0.00 N ATOM 1285 CA ARG A 86 14.515 7.983 1.755 1.00 0.00 C ATOM 1286 C ARG A 86 14.632 7.476 0.324 1.00 0.00 C ATOM 1287 O ARG A 86 13.665 7.542 -0.438 1.00 0.00 O ATOM 1288 CB ARG A 86 13.857 6.932 2.656 1.00 0.00 C ATOM 1289 CG ARG A 86 14.170 7.181 4.138 1.00 0.00 C ATOM 1290 CD ARG A 86 13.117 6.535 5.046 1.00 0.00 C ATOM 1291 NE ARG A 86 11.771 7.102 4.794 1.00 0.00 N ATOM 1292 CZ ARG A 86 10.644 6.765 5.394 1.00 0.00 C ATOM 1293 NH1 ARG A 86 10.599 5.849 6.320 1.00 0.00 N1+ ATOM 1294 NH2 ARG A 86 9.527 7.347 5.063 1.00 0.00 N ATOM 0 H ARG A 86 12.867 9.178 1.304 1.00 0.00 H new ATOM 0 HA ARG A 86 15.527 8.177 2.112 1.00 0.00 H new ATOM 0 HB2 ARG A 86 12.778 6.946 2.504 1.00 0.00 H new ATOM 0 HB3 ARG A 86 14.206 5.939 2.372 1.00 0.00 H new ATOM 0 HG2 ARG A 86 15.155 6.779 4.376 1.00 0.00 H new ATOM 0 HG3 ARG A 86 14.209 8.254 4.328 1.00 0.00 H new ATOM 0 HD2 ARG A 86 13.098 5.458 4.877 1.00 0.00 H new ATOM 0 HD3 ARG A 86 13.390 6.689 6.090 1.00 0.00 H new ATOM 0 HE ARG A 86 11.709 7.829 4.082 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.452 5.367 6.602 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.710 5.614 6.762 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.521 8.065 4.339 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.658 7.085 5.528 1.00 0.00 H new ATOM 1308 N TYR A 87 15.819 6.986 -0.032 1.00 0.00 N ATOM 1309 CA TYR A 87 16.140 6.663 -1.421 1.00 0.00 C ATOM 1310 C TYR A 87 17.228 5.594 -1.621 1.00 0.00 C ATOM 1311 O TYR A 87 17.641 4.904 -0.685 1.00 0.00 O ATOM 1312 CB TYR A 87 16.443 7.980 -2.166 1.00 0.00 C ATOM 1313 CG TYR A 87 17.771 8.629 -1.858 1.00 0.00 C ATOM 1314 CD1 TYR A 87 17.916 9.444 -0.720 1.00 0.00 C ATOM 1315 CD2 TYR A 87 18.853 8.430 -2.734 1.00 0.00 C ATOM 1316 CE1 TYR A 87 19.168 10.007 -0.410 1.00 0.00 C ATOM 1317 CE2 TYR A 87 20.098 9.009 -2.430 1.00 0.00 C ATOM 1318 CZ TYR A 87 20.267 9.779 -1.261 1.00 0.00 C ATOM 1319 OH TYR A 87 21.487 10.282 -0.944 1.00 0.00 O ATOM 0 H TYR A 87 16.577 6.804 0.626 1.00 0.00 H new ATOM 0 HA TYR A 87 15.265 6.177 -1.853 1.00 0.00 H new ATOM 0 HB2 TYR A 87 16.397 7.786 -3.238 1.00 0.00 H new ATOM 0 HB3 TYR A 87 15.651 8.693 -1.937 1.00 0.00 H new ATOM 0 HD1 TYR A 87 17.065 9.638 -0.084 1.00 0.00 H new ATOM 0 HD2 TYR A 87 18.729 7.839 -3.630 1.00 0.00 H new ATOM 0 HE1 TYR A 87 19.286 10.612 0.477 1.00 0.00 H new ATOM 0 HE2 TYR A 87 20.933 8.862 -3.099 1.00 0.00 H new ATOM 0 HH TYR A 87 22.184 9.757 -1.390 1.00 0.00 H new ATOM 1329 N GLY A 88 17.648 5.434 -2.878 1.00 0.00 N ATOM 1330 CA GLY A 88 18.731 4.575 -3.354 1.00 0.00 C ATOM 1331 C GLY A 88 19.242 5.081 -4.710 1.00 0.00 C ATOM 1332 O GLY A 88 18.564 5.872 -5.371 1.00 0.00 O ATOM 0 H GLY A 88 17.206 5.940 -3.646 1.00 0.00 H new ATOM 0 HA2 GLY A 88 19.545 4.566 -2.629 1.00 0.00 H new ATOM 0 HA3 GLY A 88 18.377 3.548 -3.449 1.00 0.00 H new ATOM 1336 N VAL A 89 20.446 4.666 -5.120 1.00 0.00 N ATOM 1337 CA VAL A 89 21.116 5.210 -6.320 1.00 0.00 C ATOM 1338 C VAL A 89 21.822 4.124 -7.116 1.00 0.00 C ATOM 1339 O VAL A 89 22.585 3.320 -6.581 1.00 0.00 O ATOM 1340 CB VAL A 89 22.168 6.293 -5.975 1.00 0.00 C ATOM 1341 CG1 VAL A 89 22.786 6.940 -7.226 1.00 0.00 C ATOM 1342 CG2 VAL A 89 21.565 7.419 -5.137 1.00 0.00 C ATOM 0 H VAL A 89 20.986 3.948 -4.637 1.00 0.00 H new ATOM 0 HA VAL A 89 20.316 5.654 -6.912 1.00 0.00 H new ATOM 0 HB VAL A 89 22.940 5.766 -5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 89 23.516 7.691 -6.924 1.00 0.00 H new ATOM 0 HG12 VAL A 89 23.279 6.175 -7.825 1.00 0.00 H new ATOM 0 HG13 VAL A 89 22.001 7.413 -7.816 1.00 0.00 H new ATOM 0 HG21 VAL A 89 22.334 8.159 -4.915 1.00 0.00 H new ATOM 0 HG22 VAL A 89 20.755 7.892 -5.692 1.00 0.00 H new ATOM 0 HG23 VAL A 89 21.175 7.010 -4.205 1.00 0.00 H new ATOM 1352 N ILE A 90 21.635 4.188 -8.427 1.00 0.00 N ATOM 1353 CA ILE A 90 22.368 3.415 -9.417 1.00 0.00 C ATOM 1354 C ILE A 90 23.080 4.429 -10.313 1.00 0.00 C ATOM 1355 O ILE A 90 22.463 5.357 -10.842 1.00 0.00 O ATOM 1356 CB ILE A 90 21.408 2.507 -10.205 1.00 0.00 C ATOM 1357 CG1 ILE A 90 20.718 1.504 -9.251 1.00 0.00 C ATOM 1358 CG2 ILE A 90 22.191 1.821 -11.340 1.00 0.00 C ATOM 1359 CD1 ILE A 90 19.786 0.514 -9.950 1.00 0.00 C ATOM 0 H ILE A 90 20.940 4.806 -8.846 1.00 0.00 H new ATOM 0 HA ILE A 90 23.098 2.749 -8.957 1.00 0.00 H new ATOM 0 HB ILE A 90 20.610 3.093 -10.661 1.00 0.00 H new ATOM 0 HG12 ILE A 90 21.484 0.946 -8.712 1.00 0.00 H new ATOM 0 HG13 ILE A 90 20.147 2.061 -8.508 1.00 0.00 H new ATOM 0 HG21 ILE A 90 21.520 1.174 -11.906 1.00 0.00 H new ATOM 0 HG22 ILE A 90 22.609 2.578 -12.003 1.00 0.00 H new ATOM 0 HG23 ILE A 90 22.998 1.224 -10.916 1.00 0.00 H new ATOM 0 HD11 ILE A 90 19.343 -0.153 -9.210 1.00 0.00 H new ATOM 0 HD12 ILE A 90 18.996 1.060 -10.466 1.00 0.00 H new ATOM 0 HD13 ILE A 90 20.354 -0.072 -10.673 1.00 0.00 H new ATOM 1371 N ALA A 91 24.381 4.237 -10.494 1.00 0.00 N ATOM 1372 CA ALA A 91 25.225 5.055 -11.344 1.00 0.00 C ATOM 1373 C ALA A 91 25.904 4.186 -12.412 1.00 0.00 C ATOM 1374 O ALA A 91 26.235 3.021 -12.176 1.00 0.00 O ATOM 1375 CB ALA A 91 26.226 5.811 -10.468 1.00 0.00 C ATOM 0 H ALA A 91 24.891 3.481 -10.036 1.00 0.00 H new ATOM 0 HA ALA A 91 24.628 5.792 -11.881 1.00 0.00 H new ATOM 0 HB1 ALA A 91 26.866 6.429 -11.097 1.00 0.00 H new ATOM 0 HB2 ALA A 91 25.687 6.445 -9.764 1.00 0.00 H new ATOM 0 HB3 ALA A 91 26.839 5.098 -9.917 1.00 0.00 H new ATOM 1381 N LEU A 92 26.085 4.757 -13.601 1.00 0.00 N ATOM 1382 CA LEU A 92 26.548 4.039 -14.787 1.00 0.00 C ATOM 1383 C LEU A 92 27.483 4.922 -15.614 1.00 0.00 C ATOM 1384 O LEU A 92 27.227 6.110 -15.801 1.00 0.00 O ATOM 1385 CB LEU A 92 25.282 3.572 -15.540 1.00 0.00 C ATOM 1386 CG LEU A 92 25.510 2.838 -16.876 1.00 0.00 C ATOM 1387 CD1 LEU A 92 24.364 1.860 -17.138 1.00 0.00 C ATOM 1388 CD2 LEU A 92 25.510 3.810 -18.056 1.00 0.00 C ATOM 0 H LEU A 92 25.911 5.748 -13.770 1.00 0.00 H new ATOM 0 HA LEU A 92 27.147 3.163 -14.539 1.00 0.00 H new ATOM 0 HB2 LEU A 92 24.716 2.914 -14.881 1.00 0.00 H new ATOM 0 HB3 LEU A 92 24.657 4.444 -15.732 1.00 0.00 H new ATOM 0 HG LEU A 92 26.472 2.332 -16.794 1.00 0.00 H new ATOM 0 HD11 LEU A 92 24.534 1.346 -18.084 1.00 0.00 H new ATOM 0 HD12 LEU A 92 24.318 1.129 -16.331 1.00 0.00 H new ATOM 0 HD13 LEU A 92 23.423 2.407 -17.186 1.00 0.00 H new ATOM 0 HD21 LEU A 92 25.673 3.258 -18.982 1.00 0.00 H new ATOM 0 HD22 LEU A 92 24.550 4.324 -18.104 1.00 0.00 H new ATOM 0 HD23 LEU A 92 26.307 4.542 -17.924 1.00 0.00 H new ATOM 1400 N GLY A 93 28.551 4.339 -16.140 1.00 0.00 N ATOM 1401 CA GLY A 93 29.506 5.042 -16.987 1.00 0.00 C ATOM 1402 C GLY A 93 30.598 4.110 -17.502 1.00 0.00 C ATOM 1403 O GLY A 93 30.344 2.930 -17.735 1.00 0.00 O ATOM 0 H GLY A 93 28.781 3.357 -15.990 1.00 0.00 H new ATOM 0 HA2 GLY A 93 28.982 5.490 -17.831 1.00 0.00 H new ATOM 0 HA3 GLY A 93 29.960 5.858 -16.424 1.00 0.00 H new ATOM 1407 N ASP A 94 31.812 4.626 -17.679 1.00 0.00 N ATOM 1408 CA ASP A 94 32.954 3.873 -18.208 1.00 0.00 C ATOM 1409 C ASP A 94 34.237 4.217 -17.432 1.00 0.00 C ATOM 1410 O ASP A 94 34.602 5.390 -17.301 1.00 0.00 O ATOM 1411 CB ASP A 94 33.078 4.179 -19.704 1.00 0.00 C ATOM 1412 CG ASP A 94 34.070 3.251 -20.411 1.00 0.00 C ATOM 1413 OD1 ASP A 94 35.236 3.179 -19.964 1.00 0.00 O ATOM 1414 OD2 ASP A 94 33.691 2.621 -21.428 1.00 0.00 O1- ATOM 0 H ASP A 94 32.037 5.596 -17.456 1.00 0.00 H new ATOM 0 HA ASP A 94 32.798 2.802 -18.081 1.00 0.00 H new ATOM 0 HB2 ASP A 94 32.099 4.085 -20.173 1.00 0.00 H new ATOM 0 HB3 ASP A 94 33.396 5.213 -19.835 1.00 0.00 H new ATOM 1419 N SER A 95 34.911 3.202 -16.877 1.00 0.00 N ATOM 1420 CA SER A 95 36.120 3.379 -16.050 1.00 0.00 C ATOM 1421 C SER A 95 37.373 3.838 -16.818 1.00 0.00 C ATOM 1422 O SER A 95 38.400 4.127 -16.196 1.00 0.00 O ATOM 1423 CB SER A 95 36.425 2.108 -15.247 1.00 0.00 C ATOM 1424 OG SER A 95 36.770 1.027 -16.084 1.00 0.00 O ATOM 0 H SER A 95 34.634 2.227 -16.988 1.00 0.00 H new ATOM 0 HA SER A 95 35.876 4.199 -15.374 1.00 0.00 H new ATOM 0 HB2 SER A 95 37.242 2.305 -14.553 1.00 0.00 H new ATOM 0 HB3 SER A 95 35.555 1.840 -14.648 1.00 0.00 H new ATOM 0 HG SER A 95 36.238 0.241 -15.840 1.00 0.00 H new ATOM 1430 N SER A 96 37.303 3.973 -18.149 1.00 0.00 N ATOM 1431 CA SER A 96 38.379 4.520 -19.005 1.00 0.00 C ATOM 1432 C SER A 96 38.645 6.027 -18.806 1.00 0.00 C ATOM 1433 O SER A 96 39.536 6.586 -19.452 1.00 0.00 O ATOM 1434 CB SER A 96 38.085 4.279 -20.497 1.00 0.00 C ATOM 1435 OG SER A 96 37.669 2.951 -20.738 1.00 0.00 O ATOM 0 H SER A 96 36.476 3.699 -18.680 1.00 0.00 H new ATOM 0 HA SER A 96 39.273 3.980 -18.691 1.00 0.00 H new ATOM 0 HB2 SER A 96 37.311 4.970 -20.832 1.00 0.00 H new ATOM 0 HB3 SER A 96 38.979 4.493 -21.083 1.00 0.00 H new ATOM 0 HG SER A 96 36.702 2.880 -20.594 1.00 0.00 H new ATOM 1441 N TYR A 97 37.891 6.689 -17.920 1.00 0.00 N ATOM 1442 CA TYR A 97 37.897 8.137 -17.693 1.00 0.00 C ATOM 1443 C TYR A 97 38.069 8.487 -16.207 1.00 0.00 C ATOM 1444 O TYR A 97 37.721 7.717 -15.309 1.00 0.00 O ATOM 1445 CB TYR A 97 36.578 8.719 -18.222 1.00 0.00 C ATOM 1446 CG TYR A 97 36.300 8.514 -19.699 1.00 0.00 C ATOM 1447 CD1 TYR A 97 36.744 9.460 -20.642 1.00 0.00 C ATOM 1448 CD2 TYR A 97 35.558 7.395 -20.130 1.00 0.00 C ATOM 1449 CE1 TYR A 97 36.447 9.294 -22.007 1.00 0.00 C ATOM 1450 CE2 TYR A 97 35.261 7.218 -21.494 1.00 0.00 C ATOM 1451 CZ TYR A 97 35.703 8.173 -22.438 1.00 0.00 C ATOM 1452 OH TYR A 97 35.424 8.019 -23.759 1.00 0.00 O ATOM 0 H TYR A 97 37.229 6.205 -17.313 1.00 0.00 H new ATOM 0 HA TYR A 97 38.747 8.568 -18.222 1.00 0.00 H new ATOM 0 HB2 TYR A 97 35.758 8.279 -17.655 1.00 0.00 H new ATOM 0 HB3 TYR A 97 36.569 9.790 -18.017 1.00 0.00 H new ATOM 0 HD1 TYR A 97 37.315 10.317 -20.316 1.00 0.00 H new ATOM 0 HD2 TYR A 97 35.215 6.669 -19.408 1.00 0.00 H new ATOM 0 HE1 TYR A 97 36.788 10.024 -22.726 1.00 0.00 H new ATOM 0 HE2 TYR A 97 34.697 6.356 -21.819 1.00 0.00 H new ATOM 0 HH TYR A 97 34.906 7.198 -23.890 1.00 0.00 H new ATOM 1462 N VAL A 98 38.578 9.698 -15.962 1.00 0.00 N ATOM 1463 CA VAL A 98 39.033 10.175 -14.641 1.00 0.00 C ATOM 1464 C VAL A 98 37.914 10.589 -13.665 1.00 0.00 C ATOM 1465 O VAL A 98 38.206 10.991 -12.538 1.00 0.00 O ATOM 1466 CB VAL A 98 40.077 11.298 -14.808 1.00 0.00 C ATOM 1467 CG1 VAL A 98 41.295 10.824 -15.612 1.00 0.00 C ATOM 1468 CG2 VAL A 98 39.516 12.570 -15.461 1.00 0.00 C ATOM 0 H VAL A 98 38.691 10.398 -16.695 1.00 0.00 H new ATOM 0 HA VAL A 98 39.493 9.309 -14.165 1.00 0.00 H new ATOM 0 HB VAL A 98 40.377 11.551 -13.791 1.00 0.00 H new ATOM 0 HG11 VAL A 98 42.008 11.643 -15.709 1.00 0.00 H new ATOM 0 HG12 VAL A 98 41.769 9.989 -15.096 1.00 0.00 H new ATOM 0 HG13 VAL A 98 40.974 10.503 -16.603 1.00 0.00 H new ATOM 0 HG21 VAL A 98 40.307 13.315 -15.545 1.00 0.00 H new ATOM 0 HG22 VAL A 98 39.135 12.331 -16.454 1.00 0.00 H new ATOM 0 HG23 VAL A 98 38.707 12.968 -14.848 1.00 0.00 H new ATOM 1478 N ASN A 99 36.640 10.466 -14.062 1.00 0.00 N ATOM 1479 CA ASN A 99 35.460 10.826 -13.257 1.00 0.00 C ATOM 1480 C ASN A 99 34.498 9.630 -13.155 1.00 0.00 C ATOM 1481 O ASN A 99 33.307 9.765 -13.432 1.00 0.00 O ATOM 1482 CB ASN A 99 34.762 12.103 -13.805 1.00 0.00 C ATOM 1483 CG ASN A 99 35.686 13.084 -14.508 1.00 0.00 C ATOM 1484 OD1 ASN A 99 36.251 13.987 -13.910 1.00 0.00 O ATOM 1485 ND2 ASN A 99 35.856 12.936 -15.807 1.00 0.00 N ATOM 0 H ASN A 99 36.392 10.102 -14.982 1.00 0.00 H new ATOM 0 HA ASN A 99 35.791 11.069 -12.247 1.00 0.00 H new ATOM 0 HB2 ASN A 99 33.979 11.802 -14.500 1.00 0.00 H new ATOM 0 HB3 ASN A 99 34.273 12.616 -12.977 1.00 0.00 H new ATOM 0 HD21 ASN A 99 36.462 13.577 -16.318 1.00 0.00 H new ATOM 0 HD22 ASN A 99 35.381 12.180 -16.301 1.00 0.00 H new ATOM 1492 N PHE A 100 34.991 8.414 -12.895 1.00 0.00 N ATOM 1493 CA PHE A 100 34.159 7.197 -12.933 1.00 0.00 C ATOM 1494 C PHE A 100 32.882 7.321 -12.078 1.00 0.00 C ATOM 1495 O PHE A 100 32.940 7.497 -10.858 1.00 0.00 O ATOM 1496 CB PHE A 100 34.969 5.943 -12.579 1.00 0.00 C ATOM 1497 CG PHE A 100 34.130 4.678 -12.693 1.00 0.00 C ATOM 1498 CD1 PHE A 100 33.523 4.348 -13.919 1.00 0.00 C ATOM 1499 CD2 PHE A 100 33.889 3.877 -11.560 1.00 0.00 C ATOM 1500 CE1 PHE A 100 32.679 3.229 -14.014 1.00 0.00 C ATOM 1501 CE2 PHE A 100 33.035 2.764 -11.653 1.00 0.00 C ATOM 1502 CZ PHE A 100 32.425 2.444 -12.876 1.00 0.00 C ATOM 0 H PHE A 100 35.967 8.242 -12.654 1.00 0.00 H new ATOM 0 HA PHE A 100 33.824 7.085 -13.964 1.00 0.00 H new ATOM 0 HB2 PHE A 100 35.831 5.868 -13.241 1.00 0.00 H new ATOM 0 HB3 PHE A 100 35.354 6.034 -11.563 1.00 0.00 H new ATOM 0 HD1 PHE A 100 33.707 4.958 -14.791 1.00 0.00 H new ATOM 0 HD2 PHE A 100 34.361 4.118 -10.619 1.00 0.00 H new ATOM 0 HE1 PHE A 100 32.226 2.972 -14.960 1.00 0.00 H new ATOM 0 HE2 PHE A 100 32.848 2.154 -10.782 1.00 0.00 H new ATOM 0 HZ PHE A 100 31.761 1.595 -12.943 1.00 0.00 H new ATOM 1512 N CYS A 101 31.727 7.271 -12.750 1.00 0.00 N ATOM 1513 CA CYS A 101 30.385 7.539 -12.217 1.00 0.00 C ATOM 1514 C CYS A 101 30.198 8.862 -11.440 1.00 0.00 C ATOM 1515 O CYS A 101 29.310 8.961 -10.593 1.00 0.00 O ATOM 1516 CB CYS A 101 29.914 6.296 -11.442 1.00 0.00 C ATOM 1517 SG CYS A 101 29.705 4.874 -12.557 1.00 0.00 S ATOM 0 H CYS A 101 31.701 7.028 -13.740 1.00 0.00 H new ATOM 0 HA CYS A 101 29.736 7.718 -13.075 1.00 0.00 H new ATOM 0 HB2 CYS A 101 30.639 6.051 -10.666 1.00 0.00 H new ATOM 0 HB3 CYS A 101 28.970 6.511 -10.941 1.00 0.00 H new ATOM 0 HG CYS A 101 30.837 4.246 -12.676 1.00 0.00 H new ATOM 1523 N ASN A 102 30.995 9.898 -11.729 1.00 0.00 N ATOM 1524 CA ASN A 102 30.922 11.192 -11.034 1.00 0.00 C ATOM 1525 C ASN A 102 29.547 11.870 -11.144 1.00 0.00 C ATOM 1526 O ASN A 102 29.117 12.505 -10.189 1.00 0.00 O ATOM 1527 CB ASN A 102 32.043 12.105 -11.542 1.00 0.00 C ATOM 1528 CG ASN A 102 32.118 13.416 -10.768 1.00 0.00 C ATOM 1529 OD1 ASN A 102 32.245 13.439 -9.552 1.00 0.00 O ATOM 1530 ND2 ASN A 102 32.058 14.547 -11.433 1.00 0.00 N ATOM 0 H ASN A 102 31.712 9.864 -12.454 1.00 0.00 H new ATOM 0 HA ASN A 102 31.060 11.001 -9.970 1.00 0.00 H new ATOM 0 HB2 ASN A 102 32.997 11.584 -11.462 1.00 0.00 H new ATOM 0 HB3 ASN A 102 31.884 12.318 -12.599 1.00 0.00 H new ATOM 0 HD21 ASN A 102 32.117 15.435 -10.935 1.00 0.00 H new ATOM 0 HD22 ASN A 102 31.952 14.537 -12.447 1.00 0.00 H new ATOM 1537 N GLY A 103 28.814 11.681 -12.247 1.00 0.00 N ATOM 1538 CA GLY A 103 27.454 12.212 -12.383 1.00 0.00 C ATOM 1539 C GLY A 103 26.480 11.609 -11.362 1.00 0.00 C ATOM 1540 O GLY A 103 25.802 12.332 -10.636 1.00 0.00 O ATOM 0 H GLY A 103 29.142 11.162 -13.061 1.00 0.00 H new ATOM 0 HA2 GLY A 103 27.477 13.295 -12.262 1.00 0.00 H new ATOM 0 HA3 GLY A 103 27.089 12.012 -13.390 1.00 0.00 H new ATOM 1544 N GLY A 104 26.479 10.280 -11.201 1.00 0.00 N ATOM 1545 CA GLY A 104 25.685 9.617 -10.155 1.00 0.00 C ATOM 1546 C GLY A 104 26.090 10.052 -8.742 1.00 0.00 C ATOM 1547 O GLY A 104 25.228 10.356 -7.916 1.00 0.00 O ATOM 0 H GLY A 104 27.020 9.640 -11.782 1.00 0.00 H new ATOM 0 HA2 GLY A 104 24.629 9.838 -10.311 1.00 0.00 H new ATOM 0 HA3 GLY A 104 25.801 8.537 -10.246 1.00 0.00 H new ATOM 1551 N LYS A 105 27.400 10.180 -8.487 1.00 0.00 N ATOM 1552 CA LYS A 105 27.945 10.691 -7.214 1.00 0.00 C ATOM 1553 C LYS A 105 27.526 12.140 -6.920 1.00 0.00 C ATOM 1554 O LYS A 105 27.137 12.434 -5.792 1.00 0.00 O ATOM 1555 CB LYS A 105 29.477 10.540 -7.211 1.00 0.00 C ATOM 1556 CG LYS A 105 29.915 9.066 -7.145 1.00 0.00 C ATOM 1557 CD LYS A 105 31.387 8.892 -7.553 1.00 0.00 C ATOM 1558 CE LYS A 105 31.815 7.422 -7.436 1.00 0.00 C ATOM 1559 NZ LYS A 105 33.191 7.209 -7.972 1.00 0.00 N1+ ATOM 0 H LYS A 105 28.121 9.930 -9.164 1.00 0.00 H new ATOM 0 HA LYS A 105 27.520 10.091 -6.409 1.00 0.00 H new ATOM 0 HB2 LYS A 105 29.888 10.999 -8.110 1.00 0.00 H new ATOM 0 HB3 LYS A 105 29.892 11.079 -6.359 1.00 0.00 H new ATOM 0 HG2 LYS A 105 29.771 8.688 -6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 105 29.282 8.468 -7.801 1.00 0.00 H new ATOM 0 HD2 LYS A 105 31.528 9.236 -8.578 1.00 0.00 H new ATOM 0 HD3 LYS A 105 32.021 9.512 -6.918 1.00 0.00 H new ATOM 0 HE2 LYS A 105 31.779 7.113 -6.391 1.00 0.00 H new ATOM 0 HE3 LYS A 105 31.110 6.792 -7.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 33.521 6.258 -7.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 33.178 7.300 -9.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 33.834 7.921 -7.570 1.00 0.00 H new ATOM 1573 N GLN A 106 27.515 13.022 -7.925 1.00 0.00 N ATOM 1574 CA GLN A 106 26.969 14.386 -7.820 1.00 0.00 C ATOM 1575 C GLN A 106 25.482 14.373 -7.425 1.00 0.00 C ATOM 1576 O GLN A 106 25.074 15.149 -6.561 1.00 0.00 O ATOM 1577 CB GLN A 106 27.165 15.155 -9.142 1.00 0.00 C ATOM 1578 CG GLN A 106 28.615 15.627 -9.362 1.00 0.00 C ATOM 1579 CD GLN A 106 28.869 16.177 -10.776 1.00 0.00 C ATOM 1580 OE1 GLN A 106 28.330 15.723 -11.778 1.00 0.00 O ATOM 1581 NE2 GLN A 106 29.714 17.177 -10.917 1.00 0.00 N ATOM 0 H GLN A 106 27.890 12.809 -8.849 1.00 0.00 H new ATOM 0 HA GLN A 106 27.520 14.898 -7.031 1.00 0.00 H new ATOM 0 HB2 GLN A 106 26.868 14.516 -9.974 1.00 0.00 H new ATOM 0 HB3 GLN A 106 26.503 16.021 -9.153 1.00 0.00 H new ATOM 0 HG2 GLN A 106 28.853 16.400 -8.631 1.00 0.00 H new ATOM 0 HG3 GLN A 106 29.293 14.794 -9.177 1.00 0.00 H new ATOM 0 HE21 GLN A 106 30.176 17.573 -10.099 1.00 0.00 H new ATOM 0 HE22 GLN A 106 29.906 17.555 -11.845 1.00 0.00 H new ATOM 1590 N PHE A 107 24.673 13.474 -8.000 1.00 0.00 N ATOM 1591 CA PHE A 107 23.257 13.357 -7.632 1.00 0.00 C ATOM 1592 C PHE A 107 23.025 12.710 -6.247 1.00 0.00 C ATOM 1593 O PHE A 107 22.083 13.083 -5.556 1.00 0.00 O ATOM 1594 CB PHE A 107 22.461 12.663 -8.743 1.00 0.00 C ATOM 1595 CG PHE A 107 21.026 13.160 -8.795 1.00 0.00 C ATOM 1596 CD1 PHE A 107 20.071 12.649 -7.898 1.00 0.00 C ATOM 1597 CD2 PHE A 107 20.664 14.199 -9.675 1.00 0.00 C ATOM 1598 CE1 PHE A 107 18.759 13.152 -7.890 1.00 0.00 C ATOM 1599 CE2 PHE A 107 19.353 14.715 -9.658 1.00 0.00 C ATOM 1600 CZ PHE A 107 18.402 14.184 -8.768 1.00 0.00 C ATOM 0 H PHE A 107 24.975 12.818 -8.721 1.00 0.00 H new ATOM 0 HA PHE A 107 22.878 14.374 -7.530 1.00 0.00 H new ATOM 0 HB2 PHE A 107 22.944 12.842 -9.704 1.00 0.00 H new ATOM 0 HB3 PHE A 107 22.468 11.586 -8.578 1.00 0.00 H new ATOM 0 HD1 PHE A 107 20.348 11.864 -7.210 1.00 0.00 H new ATOM 0 HD2 PHE A 107 21.393 14.601 -10.364 1.00 0.00 H new ATOM 0 HE1 PHE A 107 18.027 12.744 -7.208 1.00 0.00 H new ATOM 0 HE2 PHE A 107 19.079 15.517 -10.327 1.00 0.00 H new ATOM 0 HZ PHE A 107 17.394 14.573 -8.761 1.00 0.00 H new ATOM 1610 N ASP A 108 23.885 11.800 -5.772 1.00 0.00 N ATOM 1611 CA ASP A 108 23.822 11.330 -4.376 1.00 0.00 C ATOM 1612 C ASP A 108 24.198 12.461 -3.395 1.00 0.00 C ATOM 1613 O ASP A 108 23.486 12.717 -2.417 1.00 0.00 O ATOM 1614 CB ASP A 108 24.723 10.102 -4.184 1.00 0.00 C ATOM 1615 CG ASP A 108 24.561 9.493 -2.783 1.00 0.00 C ATOM 1616 OD1 ASP A 108 23.413 9.205 -2.373 1.00 0.00 O ATOM 1617 OD2 ASP A 108 25.577 9.255 -2.092 1.00 0.00 O1- ATOM 0 H ASP A 108 24.628 11.375 -6.326 1.00 0.00 H new ATOM 0 HA ASP A 108 22.796 11.034 -4.157 1.00 0.00 H new ATOM 0 HB2 ASP A 108 24.482 9.352 -4.937 1.00 0.00 H new ATOM 0 HB3 ASP A 108 25.764 10.386 -4.339 1.00 0.00 H new ATOM 1622 N ALA A 109 25.273 13.202 -3.694 1.00 0.00 N ATOM 1623 CA ALA A 109 25.684 14.385 -2.936 1.00 0.00 C ATOM 1624 C ALA A 109 24.589 15.472 -2.863 1.00 0.00 C ATOM 1625 O ALA A 109 24.395 16.047 -1.792 1.00 0.00 O ATOM 1626 CB ALA A 109 26.985 14.934 -3.531 1.00 0.00 C ATOM 0 H ALA A 109 25.888 12.992 -4.480 1.00 0.00 H new ATOM 0 HA ALA A 109 25.853 14.080 -1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 109 27.297 15.816 -2.971 1.00 0.00 H new ATOM 0 HB2 ALA A 109 27.762 14.172 -3.471 1.00 0.00 H new ATOM 0 HB3 ALA A 109 26.822 15.205 -4.574 1.00 0.00 H new ATOM 1632 N LEU A 110 23.823 15.702 -3.940 1.00 0.00 N ATOM 1633 CA LEU A 110 22.670 16.622 -3.990 1.00 0.00 C ATOM 1634 C LEU A 110 21.667 16.391 -2.847 1.00 0.00 C ATOM 1635 O LEU A 110 21.028 17.335 -2.388 1.00 0.00 O ATOM 1636 CB LEU A 110 21.960 16.432 -5.347 1.00 0.00 C ATOM 1637 CG LEU A 110 20.742 17.330 -5.642 1.00 0.00 C ATOM 1638 CD1 LEU A 110 21.167 18.762 -5.922 1.00 0.00 C ATOM 1639 CD2 LEU A 110 19.976 16.754 -6.834 1.00 0.00 C ATOM 0 H LEU A 110 23.993 15.238 -4.832 1.00 0.00 H new ATOM 0 HA LEU A 110 23.045 17.639 -3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 110 22.695 16.591 -6.137 1.00 0.00 H new ATOM 0 HB3 LEU A 110 21.637 15.393 -5.416 1.00 0.00 H new ATOM 0 HG LEU A 110 20.096 17.349 -4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 110 20.286 19.370 -6.126 1.00 0.00 H new ATOM 0 HD12 LEU A 110 21.691 19.162 -5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.830 18.782 -6.787 1.00 0.00 H new ATOM 0 HD21 LEU A 110 19.112 17.383 -7.050 1.00 0.00 H new ATOM 0 HD22 LEU A 110 20.629 16.723 -7.706 1.00 0.00 H new ATOM 0 HD23 LEU A 110 19.639 15.745 -6.597 1.00 0.00 H new ATOM 1651 N LEU A 111 21.533 15.140 -2.393 1.00 0.00 N ATOM 1652 CA LEU A 111 20.527 14.712 -1.423 1.00 0.00 C ATOM 1653 C LEU A 111 21.120 14.567 -0.014 1.00 0.00 C ATOM 1654 O LEU A 111 20.487 14.972 0.963 1.00 0.00 O ATOM 1655 CB LEU A 111 19.897 13.404 -1.937 1.00 0.00 C ATOM 1656 CG LEU A 111 19.270 13.508 -3.342 1.00 0.00 C ATOM 1657 CD1 LEU A 111 18.736 12.144 -3.773 1.00 0.00 C ATOM 1658 CD2 LEU A 111 18.139 14.537 -3.401 1.00 0.00 C ATOM 0 H LEU A 111 22.139 14.379 -2.700 1.00 0.00 H new ATOM 0 HA LEU A 111 19.751 15.471 -1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 111 20.662 12.627 -1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 111 19.129 13.083 -1.233 1.00 0.00 H new ATOM 0 HG LEU A 111 20.055 13.840 -4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 111 18.294 12.224 -4.766 1.00 0.00 H new ATOM 0 HD12 LEU A 111 19.554 11.424 -3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 111 17.978 11.810 -3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 111 17.731 14.572 -4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 111 17.352 14.254 -2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 111 18.527 15.520 -3.132 1.00 0.00 H new ATOM 1670 N GLN A 112 22.366 14.096 0.110 1.00 0.00 N ATOM 1671 CA GLN A 112 23.102 14.118 1.382 1.00 0.00 C ATOM 1672 C GLN A 112 23.413 15.542 1.877 1.00 0.00 C ATOM 1673 O GLN A 112 23.372 15.788 3.081 1.00 0.00 O ATOM 1674 CB GLN A 112 24.387 13.277 1.281 1.00 0.00 C ATOM 1675 CG GLN A 112 24.089 11.781 1.111 1.00 0.00 C ATOM 1676 CD GLN A 112 23.196 11.246 2.225 1.00 0.00 C ATOM 1677 OE1 GLN A 112 23.518 11.286 3.404 1.00 0.00 O ATOM 1678 NE2 GLN A 112 22.009 10.798 1.891 1.00 0.00 N ATOM 0 H GLN A 112 22.892 13.690 -0.664 1.00 0.00 H new ATOM 0 HA GLN A 112 22.445 13.672 2.129 1.00 0.00 H new ATOM 0 HB2 GLN A 112 24.982 13.625 0.437 1.00 0.00 H new ATOM 0 HB3 GLN A 112 24.988 13.426 2.178 1.00 0.00 H new ATOM 0 HG2 GLN A 112 23.606 11.615 0.148 1.00 0.00 H new ATOM 0 HG3 GLN A 112 25.026 11.224 1.098 1.00 0.00 H new ATOM 0 HE21 GLN A 112 21.735 10.762 0.909 1.00 0.00 H new ATOM 0 HE22 GLN A 112 21.360 10.485 2.613 1.00 0.00 H new ATOM 1687 N GLU A 113 23.614 16.506 0.970 1.00 0.00 N ATOM 1688 CA GLU A 113 23.710 17.941 1.292 1.00 0.00 C ATOM 1689 C GLU A 113 22.401 18.509 1.889 1.00 0.00 C ATOM 1690 O GLU A 113 22.406 19.570 2.515 1.00 0.00 O ATOM 1691 CB GLU A 113 24.120 18.702 0.015 1.00 0.00 C ATOM 1692 CG GLU A 113 24.554 20.164 0.201 1.00 0.00 C ATOM 1693 CD GLU A 113 25.876 20.281 0.987 1.00 0.00 C ATOM 1694 OE1 GLU A 113 26.965 20.260 0.361 1.00 0.00 O1- ATOM 1695 OE2 GLU A 113 25.843 20.404 2.236 1.00 0.00 O ATOM 0 H GLU A 113 23.717 16.311 -0.026 1.00 0.00 H new ATOM 0 HA GLU A 113 24.466 18.073 2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 113 24.939 18.160 -0.458 1.00 0.00 H new ATOM 0 HB3 GLU A 113 23.281 18.681 -0.680 1.00 0.00 H new ATOM 0 HG2 GLU A 113 24.670 20.634 -0.775 1.00 0.00 H new ATOM 0 HG3 GLU A 113 23.771 20.710 0.726 1.00 0.00 H new ATOM 1702 N GLN A 114 21.285 17.774 1.754 1.00 0.00 N ATOM 1703 CA GLN A 114 19.960 18.148 2.268 1.00 0.00 C ATOM 1704 C GLN A 114 19.473 17.212 3.388 1.00 0.00 C ATOM 1705 O GLN A 114 18.361 17.375 3.883 1.00 0.00 O ATOM 1706 CB GLN A 114 18.959 18.233 1.100 1.00 0.00 C ATOM 1707 CG GLN A 114 19.434 19.250 0.049 1.00 0.00 C ATOM 1708 CD GLN A 114 18.382 19.638 -0.983 1.00 0.00 C ATOM 1709 OE1 GLN A 114 17.267 19.140 -1.039 1.00 0.00 O ATOM 1710 NE2 GLN A 114 18.709 20.590 -1.828 1.00 0.00 N ATOM 0 H GLN A 114 21.281 16.876 1.269 1.00 0.00 H new ATOM 0 HA GLN A 114 20.039 19.132 2.731 1.00 0.00 H new ATOM 0 HB2 GLN A 114 18.847 17.252 0.639 1.00 0.00 H new ATOM 0 HB3 GLN A 114 17.978 18.523 1.476 1.00 0.00 H new ATOM 0 HG2 GLN A 114 19.770 20.151 0.561 1.00 0.00 H new ATOM 0 HG3 GLN A 114 20.299 18.838 -0.471 1.00 0.00 H new ATOM 0 HE21 GLN A 114 19.637 21.011 -1.788 1.00 0.00 H new ATOM 0 HE22 GLN A 114 18.034 20.908 -2.524 1.00 0.00 H new ATOM 1719 N SER A 115 20.303 16.251 3.803 1.00 0.00 N ATOM 1720 CA SER A 115 20.097 15.346 4.945 1.00 0.00 C ATOM 1721 C SER A 115 19.065 14.239 4.685 1.00 0.00 C ATOM 1722 O SER A 115 18.602 13.591 5.629 1.00 0.00 O ATOM 1723 CB SER A 115 19.827 16.107 6.260 1.00 0.00 C ATOM 1724 OG SER A 115 20.865 17.043 6.520 1.00 0.00 O ATOM 0 H SER A 115 21.187 16.071 3.327 1.00 0.00 H new ATOM 0 HA SER A 115 21.047 14.826 5.070 1.00 0.00 H new ATOM 0 HB2 SER A 115 18.870 16.625 6.196 1.00 0.00 H new ATOM 0 HB3 SER A 115 19.752 15.400 7.086 1.00 0.00 H new ATOM 0 HG SER A 115 20.676 17.517 7.357 1.00 0.00 H new ATOM 1730 N ALA A 116 18.713 13.996 3.415 1.00 0.00 N ATOM 1731 CA ALA A 116 17.925 12.823 3.030 1.00 0.00 C ATOM 1732 C ALA A 116 18.708 11.536 3.372 1.00 0.00 C ATOM 1733 O ALA A 116 19.923 11.572 3.587 1.00 0.00 O ATOM 1734 CB ALA A 116 17.591 12.919 1.537 1.00 0.00 C ATOM 0 H ALA A 116 18.965 14.602 2.634 1.00 0.00 H new ATOM 0 HA ALA A 116 16.988 12.789 3.585 1.00 0.00 H new ATOM 0 HB1 ALA A 116 17.004 12.050 1.239 1.00 0.00 H new ATOM 0 HB2 ALA A 116 17.017 13.826 1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 116 18.514 12.949 0.959 1.00 0.00 H new ATOM 1740 N GLN A 117 18.045 10.382 3.391 1.00 0.00 N ATOM 1741 CA GLN A 117 18.605 9.130 3.889 1.00 0.00 C ATOM 1742 C GLN A 117 18.577 8.060 2.802 1.00 0.00 C ATOM 1743 O GLN A 117 17.714 8.064 1.931 1.00 0.00 O ATOM 1744 CB GLN A 117 17.841 8.692 5.154 1.00 0.00 C ATOM 1745 CG GLN A 117 17.885 9.739 6.288 1.00 0.00 C ATOM 1746 CD GLN A 117 17.152 9.271 7.546 1.00 0.00 C ATOM 1747 OE1 GLN A 117 17.315 8.154 8.022 1.00 0.00 O ATOM 1748 NE2 GLN A 117 16.314 10.095 8.139 1.00 0.00 N ATOM 0 H GLN A 117 17.086 10.290 3.055 1.00 0.00 H new ATOM 0 HA GLN A 117 19.650 9.278 4.160 1.00 0.00 H new ATOM 0 HB2 GLN A 117 16.802 8.494 4.892 1.00 0.00 H new ATOM 0 HB3 GLN A 117 18.262 7.755 5.518 1.00 0.00 H new ATOM 0 HG2 GLN A 117 18.924 9.957 6.537 1.00 0.00 H new ATOM 0 HG3 GLN A 117 17.439 10.669 5.937 1.00 0.00 H new ATOM 0 HE21 GLN A 117 16.163 11.030 7.759 1.00 0.00 H new ATOM 0 HE22 GLN A 117 15.815 9.799 8.978 1.00 0.00 H new ATOM 1757 N ARG A 118 19.518 7.120 2.839 1.00 0.00 N ATOM 1758 CA ARG A 118 19.679 6.113 1.790 1.00 0.00 C ATOM 1759 C ARG A 118 19.812 4.714 2.384 1.00 0.00 C ATOM 1760 O ARG A 118 20.828 4.365 2.980 1.00 0.00 O ATOM 1761 CB ARG A 118 20.830 6.547 0.858 1.00 0.00 C ATOM 1762 CG ARG A 118 21.163 5.481 -0.193 1.00 0.00 C ATOM 1763 CD ARG A 118 22.002 5.982 -1.378 1.00 0.00 C ATOM 1764 NE ARG A 118 23.229 6.723 -1.022 1.00 0.00 N ATOM 1765 CZ ARG A 118 24.337 6.261 -0.473 1.00 0.00 C ATOM 1766 NH1 ARG A 118 24.421 5.098 0.100 1.00 0.00 N1+ ATOM 1767 NH2 ARG A 118 25.420 6.976 -0.512 1.00 0.00 N ATOM 0 H ARG A 118 20.193 7.034 3.599 1.00 0.00 H new ATOM 0 HA ARG A 118 18.786 6.048 1.169 1.00 0.00 H new ATOM 0 HB2 ARG A 118 20.558 7.476 0.356 1.00 0.00 H new ATOM 0 HB3 ARG A 118 21.718 6.756 1.454 1.00 0.00 H new ATOM 0 HG2 ARG A 118 21.699 4.666 0.294 1.00 0.00 H new ATOM 0 HG3 ARG A 118 20.231 5.066 -0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 118 22.281 5.125 -1.991 1.00 0.00 H new ATOM 0 HD3 ARG A 118 21.377 6.626 -1.997 1.00 0.00 H new ATOM 0 HE ARG A 118 23.219 7.722 -1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 118 23.603 4.490 0.142 1.00 0.00 H new ATOM 0 HH12 ARG A 118 25.305 4.793 0.508 1.00 0.00 H new ATOM 0 HH21 ARG A 118 25.412 7.890 -0.965 1.00 0.00 H new ATOM 0 HH22 ARG A 118 26.279 6.624 -0.089 1.00 0.00 H new ATOM 1781 N VAL A 119 18.755 3.919 2.212 1.00 0.00 N ATOM 1782 CA VAL A 119 18.582 2.576 2.818 1.00 0.00 C ATOM 1783 C VAL A 119 19.304 1.468 2.010 1.00 0.00 C ATOM 1784 O VAL A 119 18.744 0.417 1.698 1.00 0.00 O ATOM 1785 CB VAL A 119 17.087 2.265 3.098 1.00 0.00 C ATOM 1786 CG1 VAL A 119 16.981 1.361 4.332 1.00 0.00 C ATOM 1787 CG2 VAL A 119 16.228 3.509 3.401 1.00 0.00 C ATOM 0 H VAL A 119 17.963 4.191 1.629 1.00 0.00 H new ATOM 0 HA VAL A 119 19.075 2.589 3.790 1.00 0.00 H new ATOM 0 HB VAL A 119 16.713 1.801 2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 119 15.933 1.140 4.532 1.00 0.00 H new ATOM 0 HG12 VAL A 119 17.519 0.431 4.149 1.00 0.00 H new ATOM 0 HG13 VAL A 119 17.416 1.868 5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 119 15.198 3.204 3.585 1.00 0.00 H new ATOM 0 HG22 VAL A 119 16.619 4.015 4.283 1.00 0.00 H new ATOM 0 HG23 VAL A 119 16.259 4.189 2.549 1.00 0.00 H new ATOM 1797 N GLY A 120 20.553 1.737 1.616 1.00 0.00 N ATOM 1798 CA GLY A 120 21.393 0.900 0.748 1.00 0.00 C ATOM 1799 C GLY A 120 22.687 1.615 0.338 1.00 0.00 C ATOM 1800 O GLY A 120 22.998 2.689 0.856 1.00 0.00 O ATOM 0 H GLY A 120 21.032 2.589 1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 120 21.639 -0.027 1.266 1.00 0.00 H new ATOM 0 HA3 GLY A 120 20.831 0.626 -0.145 1.00 0.00 H new ATOM 1804 N GLU A 121 23.435 1.068 -0.625 1.00 0.00 N ATOM 1805 CA GLU A 121 24.665 1.688 -1.153 1.00 0.00 C ATOM 1806 C GLU A 121 24.668 1.794 -2.684 1.00 0.00 C ATOM 1807 O GLU A 121 24.075 0.975 -3.392 1.00 0.00 O ATOM 1808 CB GLU A 121 25.918 0.954 -0.639 1.00 0.00 C ATOM 1809 CG GLU A 121 26.163 1.097 0.876 1.00 0.00 C ATOM 1810 CD GLU A 121 26.426 2.540 1.372 1.00 0.00 C ATOM 1811 OE1 GLU A 121 26.610 3.481 0.558 1.00 0.00 O1- ATOM 1812 OE2 GLU A 121 26.458 2.748 2.607 1.00 0.00 O ATOM 0 H GLU A 121 23.207 0.177 -1.066 1.00 0.00 H new ATOM 0 HA GLU A 121 24.688 2.710 -0.775 1.00 0.00 H new ATOM 0 HB2 GLU A 121 25.829 -0.105 -0.882 1.00 0.00 H new ATOM 0 HB3 GLU A 121 26.790 1.332 -1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 121 25.297 0.701 1.406 1.00 0.00 H new ATOM 0 HG3 GLU A 121 27.016 0.476 1.149 1.00 0.00 H new ATOM 1819 N MET A 122 25.318 2.852 -3.182 1.00 0.00 N ATOM 1820 CA MET A 122 25.284 3.269 -4.587 1.00 0.00 C ATOM 1821 C MET A 122 25.956 2.243 -5.508 1.00 0.00 C ATOM 1822 O MET A 122 27.127 1.900 -5.327 1.00 0.00 O ATOM 1823 CB MET A 122 25.922 4.662 -4.713 1.00 0.00 C ATOM 1824 CG MET A 122 25.988 5.175 -6.158 1.00 0.00 C ATOM 1825 SD MET A 122 26.222 6.970 -6.316 1.00 0.00 S ATOM 1826 CE MET A 122 27.524 7.285 -5.092 1.00 0.00 C ATOM 0 H MET A 122 25.898 3.458 -2.602 1.00 0.00 H new ATOM 0 HA MET A 122 24.246 3.325 -4.914 1.00 0.00 H new ATOM 0 HB2 MET A 122 25.353 5.370 -4.110 1.00 0.00 H new ATOM 0 HB3 MET A 122 26.930 4.630 -4.300 1.00 0.00 H new ATOM 0 HG2 MET A 122 26.805 4.669 -6.672 1.00 0.00 H new ATOM 0 HG3 MET A 122 25.068 4.896 -6.671 1.00 0.00 H new ATOM 0 HE1 MET A 122 27.778 8.345 -5.096 1.00 0.00 H new ATOM 0 HE2 MET A 122 27.169 7.000 -4.102 1.00 0.00 H new ATOM 0 HE3 MET A 122 28.408 6.699 -5.342 1.00 0.00 H new ATOM 1836 N LEU A 123 25.209 1.763 -6.502 1.00 0.00 N ATOM 1837 CA LEU A 123 25.677 0.774 -7.477 1.00 0.00 C ATOM 1838 C LEU A 123 26.490 1.464 -8.587 1.00 0.00 C ATOM 1839 O LEU A 123 26.081 2.526 -9.050 1.00 0.00 O ATOM 1840 CB LEU A 123 24.415 0.052 -7.997 1.00 0.00 C ATOM 1841 CG LEU A 123 24.562 -1.324 -8.666 1.00 0.00 C ATOM 1842 CD1 LEU A 123 25.038 -1.217 -10.108 1.00 0.00 C ATOM 1843 CD2 LEU A 123 25.481 -2.280 -7.905 1.00 0.00 C ATOM 0 H LEU A 123 24.244 2.055 -6.656 1.00 0.00 H new ATOM 0 HA LEU A 123 26.356 0.042 -7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 123 23.732 -0.063 -7.155 1.00 0.00 H new ATOM 0 HB3 LEU A 123 23.929 0.715 -8.713 1.00 0.00 H new ATOM 0 HG LEU A 123 23.556 -1.742 -8.648 1.00 0.00 H new ATOM 0 HD11 LEU A 123 25.126 -2.215 -10.537 1.00 0.00 H new ATOM 0 HD12 LEU A 123 24.320 -0.636 -10.686 1.00 0.00 H new ATOM 0 HD13 LEU A 123 26.009 -0.723 -10.135 1.00 0.00 H new ATOM 0 HD21 LEU A 123 25.537 -3.231 -8.436 1.00 0.00 H new ATOM 0 HD22 LEU A 123 26.478 -1.846 -7.833 1.00 0.00 H new ATOM 0 HD23 LEU A 123 25.084 -2.446 -6.904 1.00 0.00 H new ATOM 1855 N LEU A 124 27.615 0.875 -9.020 1.00 0.00 N ATOM 1856 CA LEU A 124 28.566 1.478 -9.973 1.00 0.00 C ATOM 1857 C LEU A 124 28.821 0.554 -11.187 1.00 0.00 C ATOM 1858 O LEU A 124 29.664 -0.345 -11.144 1.00 0.00 O ATOM 1859 CB LEU A 124 29.889 1.832 -9.255 1.00 0.00 C ATOM 1860 CG LEU A 124 29.803 2.722 -8.001 1.00 0.00 C ATOM 1861 CD1 LEU A 124 31.209 2.935 -7.434 1.00 0.00 C ATOM 1862 CD2 LEU A 124 29.212 4.101 -8.291 1.00 0.00 C ATOM 0 H LEU A 124 27.897 -0.055 -8.712 1.00 0.00 H new ATOM 0 HA LEU A 124 28.122 2.396 -10.358 1.00 0.00 H new ATOM 0 HB2 LEU A 124 30.378 0.900 -8.973 1.00 0.00 H new ATOM 0 HB3 LEU A 124 30.540 2.328 -9.975 1.00 0.00 H new ATOM 0 HG LEU A 124 29.150 2.207 -7.297 1.00 0.00 H new ATOM 0 HD11 LEU A 124 31.152 3.565 -6.546 1.00 0.00 H new ATOM 0 HD12 LEU A 124 31.644 1.972 -7.168 1.00 0.00 H new ATOM 0 HD13 LEU A 124 31.834 3.421 -8.184 1.00 0.00 H new ATOM 0 HD21 LEU A 124 29.177 4.683 -7.370 1.00 0.00 H new ATOM 0 HD22 LEU A 124 29.834 4.617 -9.022 1.00 0.00 H new ATOM 0 HD23 LEU A 124 28.203 3.988 -8.688 1.00 0.00 H new ATOM 1874 N ILE A 125 28.058 0.756 -12.264 1.00 0.00 N ATOM 1875 CA ILE A 125 28.127 -0.015 -13.525 1.00 0.00 C ATOM 1876 C ILE A 125 29.224 0.541 -14.462 1.00 0.00 C ATOM 1877 O ILE A 125 29.334 1.757 -14.640 1.00 0.00 O ATOM 1878 CB ILE A 125 26.745 -0.002 -14.229 1.00 0.00 C ATOM 1879 CG1 ILE A 125 25.631 -0.469 -13.265 1.00 0.00 C ATOM 1880 CG2 ILE A 125 26.787 -0.890 -15.482 1.00 0.00 C ATOM 1881 CD1 ILE A 125 24.206 -0.514 -13.825 1.00 0.00 C ATOM 0 H ILE A 125 27.346 1.486 -12.291 1.00 0.00 H new ATOM 0 HA ILE A 125 28.391 -1.045 -13.284 1.00 0.00 H new ATOM 0 HB ILE A 125 26.518 1.020 -14.531 1.00 0.00 H new ATOM 0 HG12 ILE A 125 25.887 -1.466 -12.908 1.00 0.00 H new ATOM 0 HG13 ILE A 125 25.634 0.191 -12.397 1.00 0.00 H new ATOM 0 HG21 ILE A 125 25.813 -0.876 -15.971 1.00 0.00 H new ATOM 0 HG22 ILE A 125 27.544 -0.513 -16.170 1.00 0.00 H new ATOM 0 HG23 ILE A 125 27.034 -1.912 -15.195 1.00 0.00 H new ATOM 0 HD11 ILE A 125 23.521 -0.857 -13.050 1.00 0.00 H new ATOM 0 HD12 ILE A 125 23.912 0.483 -14.153 1.00 0.00 H new ATOM 0 HD13 ILE A 125 24.169 -1.200 -14.671 1.00 0.00 H new ATOM 1893 N ASP A 126 29.979 -0.350 -15.118 1.00 0.00 N ATOM 1894 CA ASP A 126 31.101 -0.012 -16.012 1.00 0.00 C ATOM 1895 C ASP A 126 30.947 -0.643 -17.408 1.00 0.00 C ATOM 1896 O ASP A 126 31.176 -1.840 -17.610 1.00 0.00 O ATOM 1897 CB ASP A 126 32.415 -0.452 -15.354 1.00 0.00 C ATOM 1898 CG ASP A 126 33.666 -0.130 -16.187 1.00 0.00 C ATOM 1899 OD1 ASP A 126 33.597 0.572 -17.226 1.00 0.00 O ATOM 1900 OD2 ASP A 126 34.759 -0.577 -15.785 1.00 0.00 O1- ATOM 0 H ASP A 126 29.824 -1.355 -15.041 1.00 0.00 H new ATOM 0 HA ASP A 126 31.106 1.068 -16.162 1.00 0.00 H new ATOM 0 HB2 ASP A 126 32.503 0.032 -14.382 1.00 0.00 H new ATOM 0 HB3 ASP A 126 32.378 -1.526 -15.173 1.00 0.00 H new ATOM 1905 N ALA A 127 30.589 0.183 -18.390 1.00 0.00 N ATOM 1906 CA ALA A 127 30.435 -0.195 -19.792 1.00 0.00 C ATOM 1907 C ALA A 127 31.705 -0.804 -20.429 1.00 0.00 C ATOM 1908 O ALA A 127 31.587 -1.537 -21.415 1.00 0.00 O ATOM 1909 CB ALA A 127 29.969 1.043 -20.566 1.00 0.00 C ATOM 0 H ALA A 127 30.391 1.170 -18.224 1.00 0.00 H new ATOM 0 HA ALA A 127 29.695 -0.994 -19.843 1.00 0.00 H new ATOM 0 HB1 ALA A 127 29.846 0.789 -21.619 1.00 0.00 H new ATOM 0 HB2 ALA A 127 29.017 1.388 -20.162 1.00 0.00 H new ATOM 0 HB3 ALA A 127 30.712 1.834 -20.469 1.00 0.00 H new ATOM 1915 N SER A 128 32.903 -0.551 -19.881 1.00 0.00 N ATOM 1916 CA SER A 128 34.151 -1.176 -20.355 1.00 0.00 C ATOM 1917 C SER A 128 34.339 -2.626 -19.877 1.00 0.00 C ATOM 1918 O SER A 128 35.248 -3.318 -20.343 1.00 0.00 O ATOM 1919 CB SER A 128 35.369 -0.332 -19.963 1.00 0.00 C ATOM 1920 OG SER A 128 35.646 -0.402 -18.583 1.00 0.00 O ATOM 0 H SER A 128 33.036 0.090 -19.099 1.00 0.00 H new ATOM 0 HA SER A 128 34.065 -1.215 -21.441 1.00 0.00 H new ATOM 0 HB2 SER A 128 36.240 -0.672 -20.524 1.00 0.00 H new ATOM 0 HB3 SER A 128 35.194 0.707 -20.244 1.00 0.00 H new ATOM 0 HG SER A 128 35.101 0.258 -18.106 1.00 0.00 H new ATOM 1926 N GLU A 129 33.471 -3.103 -18.979 1.00 0.00 N ATOM 1927 CA GLU A 129 33.558 -4.416 -18.327 1.00 0.00 C ATOM 1928 C GLU A 129 32.262 -5.237 -18.483 1.00 0.00 C ATOM 1929 O GLU A 129 32.317 -6.469 -18.500 1.00 0.00 O ATOM 1930 CB GLU A 129 33.909 -4.184 -16.846 1.00 0.00 C ATOM 1931 CG GLU A 129 34.316 -5.441 -16.064 1.00 0.00 C ATOM 1932 CD GLU A 129 35.669 -6.009 -16.537 1.00 0.00 C ATOM 1933 OE1 GLU A 129 36.727 -5.592 -16.005 1.00 0.00 O1- ATOM 1934 OE2 GLU A 129 35.686 -6.896 -17.426 1.00 0.00 O ATOM 0 H GLU A 129 32.659 -2.567 -18.674 1.00 0.00 H new ATOM 0 HA GLU A 129 34.335 -5.009 -18.809 1.00 0.00 H new ATOM 0 HB2 GLU A 129 34.724 -3.462 -16.791 1.00 0.00 H new ATOM 0 HB3 GLU A 129 33.049 -3.731 -16.352 1.00 0.00 H new ATOM 0 HG2 GLU A 129 34.375 -5.203 -15.002 1.00 0.00 H new ATOM 0 HG3 GLU A 129 33.545 -6.203 -16.177 1.00 0.00 H new ATOM 1941 N ASN A 130 31.105 -4.579 -18.655 1.00 0.00 N ATOM 1942 CA ASN A 130 29.804 -5.237 -18.794 1.00 0.00 C ATOM 1943 C ASN A 130 28.874 -4.499 -19.795 1.00 0.00 C ATOM 1944 O ASN A 130 28.472 -3.362 -19.522 1.00 0.00 O ATOM 1945 CB ASN A 130 29.177 -5.342 -17.391 1.00 0.00 C ATOM 1946 CG ASN A 130 27.953 -6.244 -17.366 1.00 0.00 C ATOM 1947 OD1 ASN A 130 27.314 -6.512 -18.372 1.00 0.00 O ATOM 1948 ND2 ASN A 130 27.600 -6.753 -16.218 1.00 0.00 N ATOM 0 H ASN A 130 31.050 -3.562 -18.702 1.00 0.00 H new ATOM 0 HA ASN A 130 29.941 -6.233 -19.214 1.00 0.00 H new ATOM 0 HB2 ASN A 130 29.921 -5.725 -16.692 1.00 0.00 H new ATOM 0 HB3 ASN A 130 28.898 -4.346 -17.046 1.00 0.00 H new ATOM 0 HD21 ASN A 130 26.792 -7.373 -16.162 1.00 0.00 H new ATOM 0 HD22 ASN A 130 28.132 -6.531 -15.376 1.00 0.00 H new ATOM 1955 N PRO A 131 28.511 -5.116 -20.942 1.00 0.00 N ATOM 1956 CA PRO A 131 27.605 -4.534 -21.947 1.00 0.00 C ATOM 1957 C PRO A 131 26.101 -4.712 -21.635 1.00 0.00 C ATOM 1958 O PRO A 131 25.264 -4.245 -22.411 1.00 0.00 O ATOM 1959 CB PRO A 131 27.989 -5.237 -23.252 1.00 0.00 C ATOM 1960 CG PRO A 131 28.373 -6.639 -22.788 1.00 0.00 C ATOM 1961 CD PRO A 131 29.042 -6.383 -21.440 1.00 0.00 C ATOM 0 HA PRO A 131 27.724 -3.451 -21.983 1.00 0.00 H new ATOM 0 HB2 PRO A 131 27.159 -5.259 -23.958 1.00 0.00 H new ATOM 0 HB3 PRO A 131 28.818 -4.736 -23.751 1.00 0.00 H new ATOM 0 HG2 PRO A 131 27.500 -7.285 -22.689 1.00 0.00 H new ATOM 0 HG3 PRO A 131 29.051 -7.125 -23.489 1.00 0.00 H new ATOM 0 HD2 PRO A 131 28.829 -7.193 -20.742 1.00 0.00 H new ATOM 0 HD3 PRO A 131 30.125 -6.333 -21.549 1.00 0.00 H new ATOM 1969 N GLU A 132 25.729 -5.367 -20.528 1.00 0.00 N ATOM 1970 CA GLU A 132 24.345 -5.715 -20.149 1.00 0.00 C ATOM 1971 C GLU A 132 24.038 -5.185 -18.731 1.00 0.00 C ATOM 1972 O GLU A 132 24.022 -5.962 -17.770 1.00 0.00 O ATOM 1973 CB GLU A 132 24.123 -7.236 -20.263 1.00 0.00 C ATOM 1974 CG GLU A 132 24.190 -7.739 -21.710 1.00 0.00 C ATOM 1975 CD GLU A 132 23.919 -9.253 -21.781 1.00 0.00 C ATOM 1976 OE1 GLU A 132 22.735 -9.657 -21.902 1.00 0.00 O1- ATOM 1977 OE2 GLU A 132 24.884 -10.055 -21.731 1.00 0.00 O ATOM 0 H GLU A 132 26.411 -5.685 -19.839 1.00 0.00 H new ATOM 0 HA GLU A 132 23.648 -5.237 -20.837 1.00 0.00 H new ATOM 0 HB2 GLU A 132 24.875 -7.754 -19.668 1.00 0.00 H new ATOM 0 HB3 GLU A 132 23.151 -7.490 -19.840 1.00 0.00 H new ATOM 0 HG2 GLU A 132 23.459 -7.206 -22.318 1.00 0.00 H new ATOM 0 HG3 GLU A 132 25.172 -7.522 -22.129 1.00 0.00 H new ATOM 1984 N PRO A 133 23.791 -3.868 -18.565 1.00 0.00 N ATOM 1985 CA PRO A 133 23.710 -3.199 -17.256 1.00 0.00 C ATOM 1986 C PRO A 133 22.608 -3.704 -16.315 1.00 0.00 C ATOM 1987 O PRO A 133 22.703 -3.564 -15.094 1.00 0.00 O ATOM 1988 CB PRO A 133 23.588 -1.705 -17.587 1.00 0.00 C ATOM 1989 CG PRO A 133 22.925 -1.686 -18.957 1.00 0.00 C ATOM 1990 CD PRO A 133 23.558 -2.900 -19.632 1.00 0.00 C ATOM 0 HA PRO A 133 24.599 -3.426 -16.668 1.00 0.00 H new ATOM 0 HB2 PRO A 133 22.987 -1.179 -16.845 1.00 0.00 H new ATOM 0 HB3 PRO A 133 24.564 -1.220 -17.609 1.00 0.00 H new ATOM 0 HG2 PRO A 133 21.841 -1.777 -18.887 1.00 0.00 H new ATOM 0 HG3 PRO A 133 23.133 -0.763 -19.498 1.00 0.00 H new ATOM 0 HD2 PRO A 133 22.899 -3.311 -20.396 1.00 0.00 H new ATOM 0 HD3 PRO A 133 24.491 -2.631 -20.127 1.00 0.00 H new ATOM 1998 N GLU A 134 21.587 -4.370 -16.846 1.00 0.00 N ATOM 1999 CA GLU A 134 20.587 -5.084 -16.045 1.00 0.00 C ATOM 2000 C GLU A 134 21.184 -6.169 -15.140 1.00 0.00 C ATOM 2001 O GLU A 134 20.750 -6.328 -14.000 1.00 0.00 O ATOM 2002 CB GLU A 134 19.525 -5.669 -16.967 1.00 0.00 C ATOM 2003 CG GLU A 134 20.012 -6.741 -17.957 1.00 0.00 C ATOM 2004 CD GLU A 134 18.874 -7.176 -18.899 1.00 0.00 C ATOM 2005 OE1 GLU A 134 18.687 -6.539 -19.963 1.00 0.00 O ATOM 2006 OE2 GLU A 134 18.166 -8.165 -18.587 1.00 0.00 O1- ATOM 0 H GLU A 134 21.425 -4.432 -17.851 1.00 0.00 H new ATOM 0 HA GLU A 134 20.137 -4.356 -15.369 1.00 0.00 H new ATOM 0 HB2 GLU A 134 18.736 -6.102 -16.352 1.00 0.00 H new ATOM 0 HB3 GLU A 134 19.076 -4.854 -17.535 1.00 0.00 H new ATOM 0 HG2 GLU A 134 20.845 -6.350 -18.542 1.00 0.00 H new ATOM 0 HG3 GLU A 134 20.386 -7.605 -17.408 1.00 0.00 H new ATOM 2013 N THR A 135 22.238 -6.853 -15.591 1.00 0.00 N ATOM 2014 CA THR A 135 22.916 -7.925 -14.830 1.00 0.00 C ATOM 2015 C THR A 135 23.638 -7.433 -13.571 1.00 0.00 C ATOM 2016 O THR A 135 24.060 -8.236 -12.738 1.00 0.00 O ATOM 2017 CB THR A 135 23.925 -8.691 -15.695 1.00 0.00 C ATOM 2018 OG1 THR A 135 24.957 -7.861 -16.175 1.00 0.00 O ATOM 2019 CG2 THR A 135 23.235 -9.350 -16.888 1.00 0.00 C ATOM 0 H THR A 135 22.656 -6.682 -16.506 1.00 0.00 H new ATOM 0 HA THR A 135 22.106 -8.585 -14.520 1.00 0.00 H new ATOM 0 HB THR A 135 24.362 -9.452 -15.049 1.00 0.00 H new ATOM 0 HG1 THR A 135 24.578 -7.173 -16.761 1.00 0.00 H new ATOM 0 HG21 THR A 135 23.973 -9.886 -17.485 1.00 0.00 H new ATOM 0 HG22 THR A 135 22.480 -10.050 -16.530 1.00 0.00 H new ATOM 0 HG23 THR A 135 22.759 -8.585 -17.501 1.00 0.00 H new ATOM 2027 N GLU A 136 23.745 -6.113 -13.411 1.00 0.00 N ATOM 2028 CA GLU A 136 24.405 -5.459 -12.266 1.00 0.00 C ATOM 2029 C GLU A 136 23.398 -4.757 -11.342 1.00 0.00 C ATOM 2030 O GLU A 136 23.734 -4.385 -10.219 1.00 0.00 O ATOM 2031 CB GLU A 136 25.407 -4.412 -12.781 1.00 0.00 C ATOM 2032 CG GLU A 136 26.535 -4.942 -13.676 1.00 0.00 C ATOM 2033 CD GLU A 136 27.592 -5.813 -12.962 1.00 0.00 C ATOM 2034 OE1 GLU A 136 27.494 -6.079 -11.739 1.00 0.00 O1- ATOM 2035 OE2 GLU A 136 28.560 -6.230 -13.646 1.00 0.00 O ATOM 0 H GLU A 136 23.368 -5.448 -14.087 1.00 0.00 H new ATOM 0 HA GLU A 136 24.911 -6.237 -11.694 1.00 0.00 H new ATOM 0 HB2 GLU A 136 24.856 -3.653 -13.337 1.00 0.00 H new ATOM 0 HB3 GLU A 136 25.856 -3.914 -11.921 1.00 0.00 H new ATOM 0 HG2 GLU A 136 26.092 -5.526 -14.483 1.00 0.00 H new ATOM 0 HG3 GLU A 136 27.040 -4.093 -14.137 1.00 0.00 H new ATOM 2042 N SER A 137 22.150 -4.607 -11.795 1.00 0.00 N ATOM 2043 CA SER A 137 21.123 -3.771 -11.160 1.00 0.00 C ATOM 2044 C SER A 137 19.813 -4.494 -10.853 1.00 0.00 C ATOM 2045 O SER A 137 19.157 -4.152 -9.875 1.00 0.00 O ATOM 2046 CB SER A 137 20.850 -2.567 -12.061 1.00 0.00 C ATOM 2047 OG SER A 137 20.612 -2.985 -13.394 1.00 0.00 O ATOM 0 H SER A 137 21.815 -5.076 -12.637 1.00 0.00 H new ATOM 0 HA SER A 137 21.521 -3.470 -10.191 1.00 0.00 H new ATOM 0 HB2 SER A 137 19.987 -2.015 -11.688 1.00 0.00 H new ATOM 0 HB3 SER A 137 21.700 -1.886 -12.034 1.00 0.00 H new ATOM 0 HG SER A 137 21.467 -3.158 -13.840 1.00 0.00 H new ATOM 2053 N ASN A 138 19.443 -5.536 -11.601 1.00 0.00 N ATOM 2054 CA ASN A 138 18.267 -6.356 -11.303 1.00 0.00 C ATOM 2055 C ASN A 138 18.267 -6.926 -9.859 1.00 0.00 C ATOM 2056 O ASN A 138 17.320 -6.638 -9.122 1.00 0.00 O ATOM 2057 CB ASN A 138 18.158 -7.414 -12.409 1.00 0.00 C ATOM 2058 CG ASN A 138 16.973 -8.349 -12.238 1.00 0.00 C ATOM 2059 OD1 ASN A 138 16.959 -9.207 -11.366 1.00 0.00 O ATOM 2060 ND2 ASN A 138 15.955 -8.239 -13.062 1.00 0.00 N ATOM 0 H ASN A 138 19.952 -5.835 -12.433 1.00 0.00 H new ATOM 0 HA ASN A 138 17.365 -5.744 -11.310 1.00 0.00 H new ATOM 0 HB2 ASN A 138 18.079 -6.913 -13.374 1.00 0.00 H new ATOM 0 HB3 ASN A 138 19.075 -8.003 -12.430 1.00 0.00 H new ATOM 0 HD21 ASN A 138 15.157 -8.868 -12.973 1.00 0.00 H new ATOM 0 HD22 ASN A 138 15.963 -7.525 -13.790 1.00 0.00 H new ATOM 2067 N PRO A 139 19.326 -7.617 -9.375 1.00 0.00 N ATOM 2068 CA PRO A 139 19.372 -8.084 -7.987 1.00 0.00 C ATOM 2069 C PRO A 139 19.503 -6.932 -6.973 1.00 0.00 C ATOM 2070 O PRO A 139 18.988 -7.035 -5.860 1.00 0.00 O ATOM 2071 CB PRO A 139 20.563 -9.044 -7.910 1.00 0.00 C ATOM 2072 CG PRO A 139 21.491 -8.520 -9.002 1.00 0.00 C ATOM 2073 CD PRO A 139 20.515 -8.075 -10.087 1.00 0.00 C ATOM 0 HA PRO A 139 18.438 -8.578 -7.719 1.00 0.00 H new ATOM 0 HB2 PRO A 139 21.039 -9.021 -6.930 1.00 0.00 H new ATOM 0 HB3 PRO A 139 20.263 -10.076 -8.094 1.00 0.00 H new ATOM 0 HG2 PRO A 139 22.107 -7.693 -8.648 1.00 0.00 H new ATOM 0 HG3 PRO A 139 22.171 -9.293 -9.361 1.00 0.00 H new ATOM 0 HD2 PRO A 139 20.941 -7.277 -10.695 1.00 0.00 H new ATOM 0 HD3 PRO A 139 20.276 -8.897 -10.762 1.00 0.00 H new ATOM 2081 N TRP A 140 20.149 -5.818 -7.350 1.00 0.00 N ATOM 2082 CA TRP A 140 20.250 -4.620 -6.505 1.00 0.00 C ATOM 2083 C TRP A 140 18.868 -4.027 -6.192 1.00 0.00 C ATOM 2084 O TRP A 140 18.560 -3.792 -5.024 1.00 0.00 O ATOM 2085 CB TRP A 140 21.156 -3.578 -7.178 1.00 0.00 C ATOM 2086 CG TRP A 140 21.422 -2.346 -6.357 1.00 0.00 C ATOM 2087 CD1 TRP A 140 22.512 -2.126 -5.584 1.00 0.00 C ATOM 2088 CD2 TRP A 140 20.572 -1.171 -6.171 1.00 0.00 C ATOM 2089 NE1 TRP A 140 22.404 -0.892 -4.967 1.00 0.00 N ATOM 2090 CE2 TRP A 140 21.209 -0.279 -5.259 1.00 0.00 C ATOM 2091 CE3 TRP A 140 19.315 -0.772 -6.667 1.00 0.00 C ATOM 2092 CZ2 TRP A 140 20.628 0.928 -4.848 1.00 0.00 C ATOM 2093 CZ3 TRP A 140 18.709 0.430 -6.259 1.00 0.00 C ATOM 2094 CH2 TRP A 140 19.361 1.274 -5.345 1.00 0.00 C ATOM 0 H TRP A 140 20.617 -5.723 -8.251 1.00 0.00 H new ATOM 0 HA TRP A 140 20.695 -4.913 -5.554 1.00 0.00 H new ATOM 0 HB2 TRP A 140 22.109 -4.049 -7.420 1.00 0.00 H new ATOM 0 HB3 TRP A 140 20.701 -3.277 -8.121 1.00 0.00 H new ATOM 0 HD1 TRP A 140 23.340 -2.810 -5.467 1.00 0.00 H new ATOM 0 HE1 TRP A 140 23.124 -0.487 -4.368 1.00 0.00 H new ATOM 0 HE3 TRP A 140 18.804 -1.405 -7.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 21.146 1.581 -4.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 17.740 0.705 -6.649 1.00 0.00 H new ATOM 0 HH2 TRP A 140 18.887 2.190 -5.024 1.00 0.00 H new ATOM 2105 N VAL A 141 18.011 -3.837 -7.208 1.00 0.00 N ATOM 2106 CA VAL A 141 16.644 -3.323 -6.986 1.00 0.00 C ATOM 2107 C VAL A 141 15.798 -4.357 -6.241 1.00 0.00 C ATOM 2108 O VAL A 141 15.063 -3.984 -5.326 1.00 0.00 O ATOM 2109 CB VAL A 141 15.927 -2.892 -8.283 1.00 0.00 C ATOM 2110 CG1 VAL A 141 14.566 -2.251 -7.962 1.00 0.00 C ATOM 2111 CG2 VAL A 141 16.712 -1.851 -9.093 1.00 0.00 C ATOM 0 H VAL A 141 18.235 -4.029 -8.184 1.00 0.00 H new ATOM 0 HA VAL A 141 16.755 -2.425 -6.379 1.00 0.00 H new ATOM 0 HB VAL A 141 15.825 -3.806 -8.867 1.00 0.00 H new ATOM 0 HG11 VAL A 141 14.076 -1.954 -8.889 1.00 0.00 H new ATOM 0 HG12 VAL A 141 13.940 -2.971 -7.435 1.00 0.00 H new ATOM 0 HG13 VAL A 141 14.716 -1.373 -7.334 1.00 0.00 H new ATOM 0 HG21 VAL A 141 16.152 -1.592 -9.992 1.00 0.00 H new ATOM 0 HG22 VAL A 141 16.862 -0.957 -8.488 1.00 0.00 H new ATOM 0 HG23 VAL A 141 17.680 -2.264 -9.375 1.00 0.00 H new ATOM 2121 N GLU A 142 15.921 -5.652 -6.568 1.00 0.00 N ATOM 2122 CA GLU A 142 15.206 -6.705 -5.830 1.00 0.00 C ATOM 2123 C GLU A 142 15.577 -6.735 -4.335 1.00 0.00 C ATOM 2124 O GLU A 142 14.701 -6.956 -3.499 1.00 0.00 O ATOM 2125 CB GLU A 142 15.432 -8.089 -6.465 1.00 0.00 C ATOM 2126 CG GLU A 142 14.622 -8.305 -7.754 1.00 0.00 C ATOM 2127 CD GLU A 142 14.755 -9.736 -8.322 1.00 0.00 C ATOM 2128 OE1 GLU A 142 15.740 -10.456 -8.015 1.00 0.00 O1- ATOM 2129 OE2 GLU A 142 13.839 -10.169 -9.062 1.00 0.00 O ATOM 0 H GLU A 142 16.504 -5.994 -7.332 1.00 0.00 H new ATOM 0 HA GLU A 142 14.146 -6.459 -5.898 1.00 0.00 H new ATOM 0 HB2 GLU A 142 16.492 -8.211 -6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 142 15.165 -8.861 -5.743 1.00 0.00 H new ATOM 0 HG2 GLU A 142 13.571 -8.096 -7.555 1.00 0.00 H new ATOM 0 HG3 GLU A 142 14.952 -7.590 -8.507 1.00 0.00 H new ATOM 2136 N HIS A 143 16.840 -6.469 -3.975 1.00 0.00 N ATOM 2137 CA HIS A 143 17.261 -6.274 -2.583 1.00 0.00 C ATOM 2138 C HIS A 143 16.691 -4.979 -1.986 1.00 0.00 C ATOM 2139 O HIS A 143 15.946 -5.044 -1.006 1.00 0.00 O ATOM 2140 CB HIS A 143 18.796 -6.293 -2.499 1.00 0.00 C ATOM 2141 CG HIS A 143 19.309 -5.997 -1.110 1.00 0.00 C ATOM 2142 ND1 HIS A 143 19.465 -6.929 -0.081 1.00 0.00 N ATOM 2143 CD2 HIS A 143 19.655 -4.761 -0.643 1.00 0.00 C ATOM 2144 CE1 HIS A 143 19.905 -6.234 0.984 1.00 0.00 C ATOM 2145 NE2 HIS A 143 20.029 -4.930 0.673 1.00 0.00 N ATOM 0 H HIS A 143 17.603 -6.383 -4.647 1.00 0.00 H new ATOM 0 HA HIS A 143 16.861 -7.095 -1.989 1.00 0.00 H new ATOM 0 HB2 HIS A 143 19.161 -7.270 -2.816 1.00 0.00 H new ATOM 0 HB3 HIS A 143 19.203 -5.560 -3.196 1.00 0.00 H new ATOM 0 HD2 HIS A 143 19.639 -3.834 -1.196 1.00 0.00 H new ATOM 0 HE1 HIS A 143 20.127 -6.661 1.951 1.00 0.00 H new ATOM 0 HE2 HIS A 143 20.346 -4.193 1.303 1.00 0.00 H new ATOM 2153 N TRP A 144 17.002 -3.813 -2.573 1.00 0.00 N ATOM 2154 CA TRP A 144 16.602 -2.492 -2.064 1.00 0.00 C ATOM 2155 C TRP A 144 15.090 -2.401 -1.821 1.00 0.00 C ATOM 2156 O TRP A 144 14.680 -2.026 -0.725 1.00 0.00 O ATOM 2157 CB TRP A 144 17.104 -1.393 -3.019 1.00 0.00 C ATOM 2158 CG TRP A 144 16.755 0.021 -2.648 1.00 0.00 C ATOM 2159 CD1 TRP A 144 17.424 0.809 -1.769 1.00 0.00 C ATOM 2160 CD2 TRP A 144 15.654 0.847 -3.146 1.00 0.00 C ATOM 2161 NE1 TRP A 144 16.810 2.042 -1.670 1.00 0.00 N ATOM 2162 CE2 TRP A 144 15.705 2.115 -2.489 1.00 0.00 C ATOM 2163 CE3 TRP A 144 14.608 0.653 -4.078 1.00 0.00 C ATOM 2164 CZ2 TRP A 144 14.766 3.126 -2.726 1.00 0.00 C ATOM 2165 CZ3 TRP A 144 13.660 1.667 -4.326 1.00 0.00 C ATOM 2166 CH2 TRP A 144 13.740 2.899 -3.654 1.00 0.00 C ATOM 0 H TRP A 144 17.550 -3.761 -3.432 1.00 0.00 H new ATOM 0 HA TRP A 144 17.069 -2.341 -1.091 1.00 0.00 H new ATOM 0 HB2 TRP A 144 18.189 -1.470 -3.090 1.00 0.00 H new ATOM 0 HB3 TRP A 144 16.705 -1.595 -4.013 1.00 0.00 H new ATOM 0 HD1 TRP A 144 18.309 0.514 -1.225 1.00 0.00 H new ATOM 0 HE1 TRP A 144 17.133 2.800 -1.069 1.00 0.00 H new ATOM 0 HE3 TRP A 144 14.534 -0.285 -4.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 144 14.831 4.068 -2.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 144 12.866 1.496 -5.038 1.00 0.00 H new ATOM 0 HH2 TRP A 144 13.011 3.671 -3.853 1.00 0.00 H new ATOM 2177 N GLY A 145 14.274 -2.862 -2.775 1.00 0.00 N ATOM 2178 CA GLY A 145 12.816 -2.962 -2.692 1.00 0.00 C ATOM 2179 C GLY A 145 12.253 -3.638 -1.430 1.00 0.00 C ATOM 2180 O GLY A 145 11.123 -3.337 -1.043 1.00 0.00 O ATOM 0 H GLY A 145 14.633 -3.192 -3.671 1.00 0.00 H new ATOM 0 HA2 GLY A 145 12.399 -1.957 -2.757 1.00 0.00 H new ATOM 0 HA3 GLY A 145 12.460 -3.512 -3.563 1.00 0.00 H new ATOM 2184 N THR A 146 13.010 -4.509 -0.749 1.00 0.00 N ATOM 2185 CA THR A 146 12.563 -5.140 0.515 1.00 0.00 C ATOM 2186 C THR A 146 12.580 -4.196 1.732 1.00 0.00 C ATOM 2187 O THR A 146 11.860 -4.442 2.703 1.00 0.00 O ATOM 2188 CB THR A 146 13.366 -6.404 0.868 1.00 0.00 C ATOM 2189 OG1 THR A 146 14.722 -6.123 1.127 1.00 0.00 O ATOM 2190 CG2 THR A 146 13.311 -7.465 -0.229 1.00 0.00 C ATOM 0 H THR A 146 13.941 -4.798 -1.049 1.00 0.00 H new ATOM 0 HA THR A 146 11.527 -5.409 0.308 1.00 0.00 H new ATOM 0 HB THR A 146 12.889 -6.789 1.769 1.00 0.00 H new ATOM 0 HG1 THR A 146 15.066 -5.513 0.442 1.00 0.00 H new ATOM 0 HG21 THR A 146 13.895 -8.334 0.075 1.00 0.00 H new ATOM 0 HG22 THR A 146 12.276 -7.764 -0.395 1.00 0.00 H new ATOM 0 HG23 THR A 146 13.723 -7.056 -1.152 1.00 0.00 H new ATOM 2198 N LEU A 147 13.358 -3.103 1.694 1.00 0.00 N ATOM 2199 CA LEU A 147 13.462 -2.121 2.784 1.00 0.00 C ATOM 2200 C LEU A 147 12.265 -1.145 2.832 1.00 0.00 C ATOM 2201 O LEU A 147 11.986 -0.555 3.878 1.00 0.00 O ATOM 2202 CB LEU A 147 14.769 -1.309 2.624 1.00 0.00 C ATOM 2203 CG LEU A 147 16.105 -1.986 2.995 1.00 0.00 C ATOM 2204 CD1 LEU A 147 16.167 -2.354 4.481 1.00 0.00 C ATOM 2205 CD2 LEU A 147 16.446 -3.232 2.180 1.00 0.00 C ATOM 0 H LEU A 147 13.943 -2.873 0.890 1.00 0.00 H new ATOM 0 HA LEU A 147 13.463 -2.682 3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 147 14.836 -0.990 1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 147 14.675 -0.407 3.228 1.00 0.00 H new ATOM 0 HG LEU A 147 16.847 -1.225 2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 147 17.124 -2.828 4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 147 16.063 -1.452 5.084 1.00 0.00 H new ATOM 0 HD13 LEU A 147 15.358 -3.044 4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 147 17.402 -3.635 2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 147 15.667 -3.982 2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 147 16.512 -2.969 1.124 1.00 0.00 H new ATOM 2217 N LEU A 148 11.574 -0.962 1.701 1.00 0.00 N ATOM 2218 CA LEU A 148 10.546 0.069 1.482 1.00 0.00 C ATOM 2219 C LEU A 148 9.273 -0.089 2.347 1.00 0.00 C ATOM 2220 O LEU A 148 8.625 0.908 2.681 1.00 0.00 O ATOM 2221 CB LEU A 148 10.183 0.083 -0.017 1.00 0.00 C ATOM 2222 CG LEU A 148 11.179 0.776 -0.971 1.00 0.00 C ATOM 2223 CD1 LEU A 148 11.181 2.285 -0.776 1.00 0.00 C ATOM 2224 CD2 LEU A 148 12.617 0.312 -0.824 1.00 0.00 C ATOM 0 H LEU A 148 11.719 -1.549 0.880 1.00 0.00 H new ATOM 0 HA LEU A 148 10.977 1.019 1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 148 10.061 -0.949 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 148 9.214 0.570 -0.127 1.00 0.00 H new ATOM 0 HG LEU A 148 10.822 0.497 -1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 148 11.894 2.740 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 148 10.184 2.679 -0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 148 11.467 2.519 0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 148 13.247 0.850 -1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 148 12.961 0.509 0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 148 12.677 -0.757 -1.026 1.00 0.00 H new ATOM 2236 N SER A 149 8.921 -1.323 2.727 1.00 0.00 N ATOM 2237 CA SER A 149 7.821 -1.651 3.661 1.00 0.00 C ATOM 2238 C SER A 149 7.998 -3.039 4.290 1.00 0.00 C ATOM 2239 O SER A 149 8.238 -3.113 5.518 1.00 0.00 O ATOM 2240 CB SER A 149 6.456 -1.524 2.974 1.00 0.00 C ATOM 2241 OG SER A 149 6.356 -2.541 2.003 1.00 0.00 O ATOM 2242 OXT SER A 149 7.874 -4.043 3.548 1.00 0.00 O1- ATOM 0 H SER A 149 9.406 -2.153 2.385 1.00 0.00 H new ATOM 0 HA SER A 149 7.859 -0.924 4.472 1.00 0.00 H new ATOM 0 HB2 SER A 149 5.653 -1.616 3.705 1.00 0.00 H new ATOM 0 HB3 SER A 149 6.354 -0.543 2.509 1.00 0.00 H new ATOM 0 HG SER A 149 6.940 -3.288 2.250 1.00 0.00 H new