USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 811 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 35 THR OG1 : rot 180:sc= 0.84 USER MOD Set 1.2: A 81 SER OG : rot -160:sc= 1.04 USER MOD Set 2.1: A 24 THR OG1 : rot -115:sc= -0.661! USER MOD Set 2.2: A 59 HIS : no HD1:sc= 0.124 K(o=-0.54,f=-9.7!) USER MOD Set 3.1: A 4 MET CE :methyl -168:sc= -3.6! (180deg=-3.54) USER MOD Set 3.2: A 27 MET CE :methyl -177:sc= -5.08! (180deg=-3.76!) USER MOD Set 3.3: A 34 HIS : no HE2:sc= -6.86! C(o=-16!,f=-18!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -3.1 K(o=-3.1,f=-8.1!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -3.08 K(o=-3.1,f=-14!) USER MOD Single : A 12 THR OG1 : rot -40:sc= 0.837 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 80:sc= 1.21 USER MOD Single : A 18 TYR OH : rot -79:sc= 0.71 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.016) USER MOD Single : A 39 GLN : amide:sc= -2.85 X(o=-2.9,f=-2.7!) USER MOD Single : A 40 TYR OH : rot 15:sc= -0.782 USER MOD Single : A 42 LYS NZ :NH3+ -132:sc= 0.376 (180deg=-0.0686) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -160:sc= -0.0456 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.248 K(o=-0.25,f=-2.4!) USER MOD Single : A 57 ASN : amide:sc= -3.4! C(o=-3.4!,f=-1.8!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 163:sc= -3.31 (180deg=-3.66) USER MOD Single : A 69 SER OG : rot -56:sc=0.000117 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -173:sc= -2.81! USER MOD Single : A 80 THR OG1 : rot 22:sc= -0.0517! USER MOD Single : A 83 THR OG1 : rot 2:sc= 0.974 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -2.49! C(o=-2.5!,f=-2.4!) USER MOD Single : A 90 SER OG : rot 100:sc= -3.25 USER MOD Single : A 93 SER OG : rot 110:sc= -0.253 USER MOD Single : A 97 SER OG : rot -150:sc= 0 USER MOD Single : A 100 THR OG1 : rot -98:sc= 1.17 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.214 1.572 -8.722 1.00 0.00 N ATOM 2 CA MET A 1 13.781 2.383 -9.830 1.00 0.00 C ATOM 3 C MET A 1 12.686 2.875 -10.771 1.00 0.00 C ATOM 4 O MET A 1 12.297 2.177 -11.707 1.00 0.00 O ATOM 5 CB MET A 1 14.789 1.526 -10.598 1.00 0.00 C ATOM 6 CG MET A 1 16.057 2.275 -10.976 1.00 0.00 C ATOM 7 SD MET A 1 15.725 3.756 -11.949 1.00 0.00 S ATOM 8 CE MET A 1 16.692 4.970 -11.056 1.00 0.00 C ATOM 0 H1 MET A 1 13.982 1.251 -8.098 1.00 0.00 H new ATOM 0 H2 MET A 1 12.544 2.150 -8.176 1.00 0.00 H new ATOM 0 H3 MET A 1 12.719 0.746 -9.115 1.00 0.00 H new ATOM 0 HA MET A 1 14.274 3.260 -9.412 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.055 0.660 -9.991 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.316 1.147 -11.504 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.594 2.554 -10.069 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.711 1.612 -11.542 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.589 5.943 -11.537 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.335 5.035 -10.028 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.741 4.673 -11.058 1.00 0.00 H new ATOM 20 N ILE A 2 12.195 4.083 -10.515 1.00 0.00 N ATOM 21 CA ILE A 2 11.148 4.671 -11.339 1.00 0.00 C ATOM 22 C ILE A 2 11.685 5.855 -12.134 1.00 0.00 C ATOM 23 O ILE A 2 12.562 6.584 -11.669 1.00 0.00 O ATOM 24 CB ILE A 2 9.949 5.125 -10.482 1.00 0.00 C ATOM 25 CG1 ILE A 2 8.884 5.815 -11.352 1.00 0.00 C ATOM 26 CG2 ILE A 2 10.417 6.032 -9.351 1.00 0.00 C ATOM 27 CD1 ILE A 2 9.113 7.298 -11.573 1.00 0.00 C ATOM 0 H ILE A 2 12.506 4.673 -9.743 1.00 0.00 H new ATOM 0 HA ILE A 2 10.809 3.900 -12.031 1.00 0.00 H new ATOM 0 HB ILE A 2 9.487 4.244 -10.037 1.00 0.00 H new ATOM 0 HG12 ILE A 2 8.848 5.318 -12.321 1.00 0.00 H new ATOM 0 HG13 ILE A 2 7.908 5.677 -10.886 1.00 0.00 H new ATOM 0 HG21 ILE A 2 9.559 6.344 -8.756 1.00 0.00 H new ATOM 0 HG22 ILE A 2 11.120 5.491 -8.718 1.00 0.00 H new ATOM 0 HG23 ILE A 2 10.907 6.911 -9.769 1.00 0.00 H new ATOM 0 HD11 ILE A 2 8.315 7.700 -12.196 1.00 0.00 H new ATOM 0 HD12 ILE A 2 9.117 7.813 -10.612 1.00 0.00 H new ATOM 0 HD13 ILE A 2 10.072 7.448 -12.069 1.00 0.00 H new ATOM 39 N GLN A 3 11.153 6.040 -13.335 1.00 0.00 N ATOM 40 CA GLN A 3 11.578 7.134 -14.200 1.00 0.00 C ATOM 41 C GLN A 3 11.458 8.473 -13.482 1.00 0.00 C ATOM 42 O GLN A 3 12.413 8.944 -12.862 1.00 0.00 O ATOM 43 CB GLN A 3 10.755 7.138 -15.492 1.00 0.00 C ATOM 44 CG GLN A 3 11.382 6.324 -16.611 1.00 0.00 C ATOM 45 CD GLN A 3 11.911 7.187 -17.740 1.00 0.00 C ATOM 46 OE1 GLN A 3 11.860 6.802 -18.908 1.00 0.00 O ATOM 47 NE2 GLN A 3 12.425 8.362 -17.398 1.00 0.00 N ATOM 0 H GLN A 3 10.426 5.446 -13.733 1.00 0.00 H new ATOM 0 HA GLN A 3 12.627 6.983 -14.455 1.00 0.00 H new ATOM 0 HB2 GLN A 3 9.760 6.746 -15.281 1.00 0.00 H new ATOM 0 HB3 GLN A 3 10.627 8.167 -15.829 1.00 0.00 H new ATOM 0 HG2 GLN A 3 12.197 5.725 -16.205 1.00 0.00 H new ATOM 0 HG3 GLN A 3 10.642 5.629 -17.007 1.00 0.00 H new ATOM 0 HE21 GLN A 3 12.448 8.643 -16.418 1.00 0.00 H new ATOM 0 HE22 GLN A 3 12.797 8.984 -18.116 1.00 0.00 H new ATOM 56 N MET A 4 10.282 9.074 -13.561 1.00 0.00 N ATOM 57 CA MET A 4 10.026 10.353 -12.912 1.00 0.00 C ATOM 58 C MET A 4 8.675 10.332 -12.207 1.00 0.00 C ATOM 59 O MET A 4 7.816 9.511 -12.522 1.00 0.00 O ATOM 60 CB MET A 4 10.070 11.493 -13.933 1.00 0.00 C ATOM 61 CG MET A 4 11.195 12.485 -13.684 1.00 0.00 C ATOM 62 SD MET A 4 10.916 14.074 -14.488 1.00 0.00 S ATOM 63 CE MET A 4 9.776 14.852 -13.344 1.00 0.00 C ATOM 0 H MET A 4 9.484 8.695 -14.071 1.00 0.00 H new ATOM 0 HA MET A 4 10.806 10.521 -12.169 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.182 11.072 -14.932 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.118 12.023 -13.915 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.305 12.640 -12.611 1.00 0.00 H new ATOM 0 HG3 MET A 4 12.133 12.061 -14.043 1.00 0.00 H new ATOM 0 HE1 MET A 4 9.349 15.743 -13.805 1.00 0.00 H new ATOM 0 HE2 MET A 4 8.977 14.154 -13.095 1.00 0.00 H new ATOM 0 HE3 MET A 4 10.308 15.133 -12.435 1.00 0.00 H new ATOM 73 N ALA A 5 8.496 11.241 -11.256 1.00 0.00 N ATOM 74 CA ALA A 5 7.253 11.338 -10.505 1.00 0.00 C ATOM 75 C ALA A 5 6.297 12.318 -11.177 1.00 0.00 C ATOM 76 O ALA A 5 6.527 13.528 -11.164 1.00 0.00 O ATOM 77 CB ALA A 5 7.533 11.767 -9.074 1.00 0.00 C ATOM 0 H ALA A 5 9.202 11.926 -10.986 1.00 0.00 H new ATOM 0 HA ALA A 5 6.782 10.355 -10.488 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.594 11.835 -8.524 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.182 11.034 -8.595 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.024 12.740 -9.075 1.00 0.00 H new ATOM 83 N PRO A 6 5.215 11.812 -11.787 1.00 0.00 N ATOM 84 CA PRO A 6 4.234 12.650 -12.478 1.00 0.00 C ATOM 85 C PRO A 6 3.746 13.804 -11.608 1.00 0.00 C ATOM 86 O PRO A 6 3.809 13.737 -10.381 1.00 0.00 O ATOM 87 CB PRO A 6 3.096 11.679 -12.788 1.00 0.00 C ATOM 88 CG PRO A 6 3.757 10.347 -12.870 1.00 0.00 C ATOM 89 CD PRO A 6 4.869 10.383 -11.859 1.00 0.00 C ATOM 0 HA PRO A 6 4.651 13.127 -13.365 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.335 11.697 -12.008 1.00 0.00 H new ATOM 0 HB3 PRO A 6 2.600 11.935 -13.724 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.052 9.546 -12.649 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.144 10.163 -13.872 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.546 9.998 -10.892 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.719 9.779 -12.175 1.00 0.00 H new ATOM 97 N PRO A 7 3.257 14.890 -12.234 1.00 0.00 N ATOM 98 CA PRO A 7 2.766 16.065 -11.517 1.00 0.00 C ATOM 99 C PRO A 7 1.345 15.875 -10.992 1.00 0.00 C ATOM 100 O PRO A 7 0.886 14.748 -10.812 1.00 0.00 O ATOM 101 CB PRO A 7 2.806 17.182 -12.572 1.00 0.00 C ATOM 102 CG PRO A 7 3.333 16.557 -13.828 1.00 0.00 C ATOM 103 CD PRO A 7 3.147 15.076 -13.683 1.00 0.00 C ATOM 0 HA PRO A 7 3.369 16.279 -10.634 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.812 17.600 -12.733 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.447 18.001 -12.247 1.00 0.00 H new ATOM 0 HG2 PRO A 7 2.797 16.931 -14.701 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.385 16.803 -13.971 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.179 14.748 -14.063 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.909 14.515 -14.224 1.00 0.00 H new ATOM 111 N SER A 8 0.656 16.986 -10.744 1.00 0.00 N ATOM 112 CA SER A 8 -0.712 16.940 -10.235 1.00 0.00 C ATOM 113 C SER A 8 -1.722 17.234 -11.340 1.00 0.00 C ATOM 114 O SER A 8 -2.062 18.391 -11.591 1.00 0.00 O ATOM 115 CB SER A 8 -0.889 17.942 -9.093 1.00 0.00 C ATOM 116 OG SER A 8 0.167 17.836 -8.154 1.00 0.00 O ATOM 0 H SER A 8 1.022 17.927 -10.887 1.00 0.00 H new ATOM 0 HA SER A 8 -0.894 15.932 -9.861 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.922 18.955 -9.495 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.842 17.766 -8.595 1.00 0.00 H new ATOM 0 HG SER A 8 0.032 18.488 -7.435 1.00 0.00 H new ATOM 122 N LEU A 9 -2.204 16.181 -11.991 1.00 0.00 N ATOM 123 CA LEU A 9 -3.182 16.328 -13.063 1.00 0.00 C ATOM 124 C LEU A 9 -4.587 16.505 -12.496 1.00 0.00 C ATOM 125 O LEU A 9 -4.952 15.870 -11.508 1.00 0.00 O ATOM 126 CB LEU A 9 -3.147 15.107 -13.988 1.00 0.00 C ATOM 127 CG LEU A 9 -3.048 15.421 -15.484 1.00 0.00 C ATOM 128 CD1 LEU A 9 -3.424 14.198 -16.308 1.00 0.00 C ATOM 129 CD2 LEU A 9 -3.934 16.603 -15.850 1.00 0.00 C ATOM 0 H LEU A 9 -1.934 15.217 -11.795 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.923 17.218 -13.636 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.298 14.484 -13.708 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.047 14.516 -13.816 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.016 15.689 -15.709 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.349 14.437 -17.369 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.746 13.378 -16.072 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.447 13.902 -16.074 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.847 16.807 -16.917 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.971 16.369 -15.609 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.620 17.481 -15.286 1.00 0.00 H new ATOM 141 N ASN A 10 -5.371 17.370 -13.130 1.00 0.00 N ATOM 142 CA ASN A 10 -6.737 17.626 -12.688 1.00 0.00 C ATOM 143 C ASN A 10 -7.587 18.161 -13.837 1.00 0.00 C ATOM 144 O ASN A 10 -7.119 18.959 -14.648 1.00 0.00 O ATOM 145 CB ASN A 10 -6.740 18.616 -11.520 1.00 0.00 C ATOM 146 CG ASN A 10 -6.388 20.027 -11.947 1.00 0.00 C ATOM 147 OD1 ASN A 10 -5.674 20.232 -12.928 1.00 0.00 O ATOM 148 ND2 ASN A 10 -6.888 21.010 -11.207 1.00 0.00 N ATOM 0 H ASN A 10 -5.085 17.905 -13.950 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.170 16.684 -12.352 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.725 18.617 -11.053 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -6.029 18.282 -10.764 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -6.684 21.981 -11.444 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -7.476 20.794 -10.402 1.00 0.00 H new ATOM 155 N VAL A 11 -8.837 17.714 -13.900 1.00 0.00 N ATOM 156 CA VAL A 11 -9.752 18.147 -14.950 1.00 0.00 C ATOM 157 C VAL A 11 -10.567 19.355 -14.504 1.00 0.00 C ATOM 158 O VAL A 11 -11.179 19.344 -13.437 1.00 0.00 O ATOM 159 CB VAL A 11 -10.716 17.019 -15.362 1.00 0.00 C ATOM 160 CG1 VAL A 11 -11.611 17.469 -16.507 1.00 0.00 C ATOM 161 CG2 VAL A 11 -9.944 15.768 -15.743 1.00 0.00 C ATOM 0 H VAL A 11 -9.240 17.052 -13.236 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.138 18.420 -15.808 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.350 16.782 -14.508 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.284 16.658 -16.783 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -12.195 18.335 -16.194 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.996 17.738 -17.366 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.643 14.983 -16.031 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.282 15.990 -16.580 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.352 15.432 -14.892 1.00 0.00 H new ATOM 171 N THR A 12 -10.574 20.395 -15.330 1.00 0.00 N ATOM 172 CA THR A 12 -11.319 21.608 -15.021 1.00 0.00 C ATOM 173 C THR A 12 -12.371 21.884 -16.079 1.00 0.00 C ATOM 174 O THR A 12 -12.064 22.076 -17.256 1.00 0.00 O ATOM 175 CB THR A 12 -10.374 22.803 -14.894 1.00 0.00 C ATOM 176 OG1 THR A 12 -9.573 22.938 -16.055 1.00 0.00 O ATOM 177 CG2 THR A 12 -9.444 22.704 -13.705 1.00 0.00 C ATOM 0 H THR A 12 -10.072 20.422 -16.218 1.00 0.00 H new ATOM 0 HA THR A 12 -11.823 21.457 -14.066 1.00 0.00 H new ATOM 0 HB THR A 12 -11.022 23.669 -14.760 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.285 22.052 -16.358 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.800 23.583 -13.673 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.031 22.650 -12.788 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.830 21.808 -13.797 1.00 0.00 H new ATOM 185 N LYS A 13 -13.615 21.901 -15.635 1.00 0.00 N ATOM 186 CA LYS A 13 -14.747 22.153 -16.515 1.00 0.00 C ATOM 187 C LYS A 13 -15.359 23.519 -16.201 1.00 0.00 C ATOM 188 O LYS A 13 -15.715 23.802 -15.057 1.00 0.00 O ATOM 189 CB LYS A 13 -15.780 21.015 -16.368 1.00 0.00 C ATOM 190 CG LYS A 13 -17.237 21.448 -16.479 1.00 0.00 C ATOM 191 CD LYS A 13 -18.187 20.273 -16.311 1.00 0.00 C ATOM 192 CE LYS A 13 -19.498 20.708 -15.673 1.00 0.00 C ATOM 193 NZ LYS A 13 -19.446 20.630 -14.187 1.00 0.00 N ATOM 0 H LYS A 13 -13.870 21.742 -14.660 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.413 22.173 -17.552 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.581 20.263 -17.132 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.633 20.534 -15.401 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -17.452 22.201 -15.721 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.405 21.916 -17.449 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -18.386 19.821 -17.283 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.716 19.508 -15.694 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.727 21.730 -15.975 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -20.308 20.078 -16.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -20.358 20.935 -13.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -19.253 19.650 -13.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -18.690 21.251 -13.833 1.00 0.00 H new ATOM 207 N ASP A 14 -15.477 24.361 -17.223 1.00 0.00 N ATOM 208 CA ASP A 14 -16.044 25.693 -17.045 1.00 0.00 C ATOM 209 C ASP A 14 -16.969 26.064 -18.202 1.00 0.00 C ATOM 210 O ASP A 14 -16.917 27.181 -18.716 1.00 0.00 O ATOM 211 CB ASP A 14 -14.928 26.733 -16.916 1.00 0.00 C ATOM 212 CG ASP A 14 -14.298 26.736 -15.537 1.00 0.00 C ATOM 213 OD1 ASP A 14 -14.044 25.639 -14.997 1.00 0.00 O ATOM 214 OD2 ASP A 14 -14.058 27.837 -14.996 1.00 0.00 O ATOM 0 H ASP A 14 -15.189 24.146 -18.178 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.634 25.683 -16.128 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.160 26.532 -17.663 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.331 27.723 -17.131 1.00 0.00 H new ATOM 219 N GLY A 15 -17.823 25.125 -18.603 1.00 0.00 N ATOM 220 CA GLY A 15 -18.751 25.385 -19.688 1.00 0.00 C ATOM 221 C GLY A 15 -18.539 24.466 -20.876 1.00 0.00 C ATOM 222 O GLY A 15 -17.990 24.879 -21.897 1.00 0.00 O ATOM 0 H GLY A 15 -17.888 24.192 -18.196 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -19.771 25.269 -19.323 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -18.644 26.420 -20.012 1.00 0.00 H new ATOM 226 N ASP A 16 -18.978 23.218 -20.743 1.00 0.00 N ATOM 227 CA ASP A 16 -18.838 22.235 -21.814 1.00 0.00 C ATOM 228 C ASP A 16 -17.429 22.259 -22.401 1.00 0.00 C ATOM 229 O ASP A 16 -17.233 21.995 -23.588 1.00 0.00 O ATOM 230 CB ASP A 16 -19.869 22.500 -22.913 1.00 0.00 C ATOM 231 CG ASP A 16 -21.293 22.384 -22.406 1.00 0.00 C ATOM 232 OD1 ASP A 16 -21.505 21.695 -21.385 1.00 0.00 O ATOM 233 OD2 ASP A 16 -22.196 22.983 -23.027 1.00 0.00 O ATOM 0 H ASP A 16 -19.434 22.862 -19.903 1.00 0.00 H new ATOM 0 HA ASP A 16 -19.014 21.246 -21.390 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -19.712 23.498 -23.323 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -19.717 21.793 -23.729 1.00 0.00 H new ATOM 238 N SER A 17 -16.453 22.577 -21.559 1.00 0.00 N ATOM 239 CA SER A 17 -15.060 22.635 -21.983 1.00 0.00 C ATOM 240 C SER A 17 -14.151 22.031 -20.919 1.00 0.00 C ATOM 241 O SER A 17 -13.873 22.659 -19.898 1.00 0.00 O ATOM 242 CB SER A 17 -14.653 24.084 -22.263 1.00 0.00 C ATOM 243 OG SER A 17 -15.632 24.747 -23.043 1.00 0.00 O ATOM 0 H SER A 17 -16.602 22.799 -20.575 1.00 0.00 H new ATOM 0 HA SER A 17 -14.954 22.055 -22.900 1.00 0.00 H new ATOM 0 HB2 SER A 17 -14.514 24.614 -21.321 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.695 24.102 -22.784 1.00 0.00 H new ATOM 0 HG SER A 17 -16.374 25.028 -22.467 1.00 0.00 H new ATOM 249 N TYR A 18 -13.699 20.805 -21.161 1.00 0.00 N ATOM 250 CA TYR A 18 -12.829 20.115 -20.217 1.00 0.00 C ATOM 251 C TYR A 18 -11.359 20.324 -20.559 1.00 0.00 C ATOM 252 O TYR A 18 -10.913 20.003 -21.662 1.00 0.00 O ATOM 253 CB TYR A 18 -13.144 18.618 -20.199 1.00 0.00 C ATOM 254 CG TYR A 18 -14.504 18.289 -19.628 1.00 0.00 C ATOM 255 CD1 TYR A 18 -14.696 18.177 -18.257 1.00 0.00 C ATOM 256 CD2 TYR A 18 -15.595 18.092 -20.464 1.00 0.00 C ATOM 257 CE1 TYR A 18 -15.941 17.877 -17.735 1.00 0.00 C ATOM 258 CE2 TYR A 18 -16.841 17.792 -19.950 1.00 0.00 C ATOM 259 CZ TYR A 18 -17.009 17.686 -18.585 1.00 0.00 C ATOM 260 OH TYR A 18 -18.250 17.388 -18.069 1.00 0.00 O ATOM 0 H TYR A 18 -13.920 20.270 -22.001 1.00 0.00 H new ATOM 0 HA TYR A 18 -13.015 20.537 -19.229 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -13.084 18.231 -21.216 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.381 18.102 -19.616 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -13.861 18.326 -17.589 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -15.467 18.175 -21.533 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -16.076 17.793 -16.667 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -17.680 17.641 -20.613 1.00 0.00 H new ATOM 0 HH TYR A 18 -18.284 16.439 -17.825 1.00 0.00 H new ATOM 270 N SER A 19 -10.608 20.850 -19.599 1.00 0.00 N ATOM 271 CA SER A 19 -9.183 21.092 -19.782 1.00 0.00 C ATOM 272 C SER A 19 -8.408 20.591 -18.570 1.00 0.00 C ATOM 273 O SER A 19 -8.875 20.701 -17.437 1.00 0.00 O ATOM 274 CB SER A 19 -8.918 22.583 -19.999 1.00 0.00 C ATOM 275 OG SER A 19 -10.068 23.237 -20.508 1.00 0.00 O ATOM 0 H SER A 19 -10.965 21.118 -18.682 1.00 0.00 H new ATOM 0 HA SER A 19 -8.847 20.548 -20.665 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.621 23.044 -19.057 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.087 22.711 -20.692 1.00 0.00 H new ATOM 0 HG SER A 19 -9.873 24.189 -20.636 1.00 0.00 H new ATOM 281 N LEU A 20 -7.227 20.033 -18.811 1.00 0.00 N ATOM 282 CA LEU A 20 -6.404 19.512 -17.724 1.00 0.00 C ATOM 283 C LEU A 20 -5.428 20.571 -17.224 1.00 0.00 C ATOM 284 O LEU A 20 -4.985 21.433 -17.982 1.00 0.00 O ATOM 285 CB LEU A 20 -5.635 18.256 -18.161 1.00 0.00 C ATOM 286 CG LEU A 20 -5.885 17.778 -19.594 1.00 0.00 C ATOM 287 CD1 LEU A 20 -4.982 16.600 -19.925 1.00 0.00 C ATOM 288 CD2 LEU A 20 -7.346 17.404 -19.782 1.00 0.00 C ATOM 0 H LEU A 20 -6.820 19.930 -19.741 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.075 19.240 -16.909 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.569 18.449 -18.045 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.888 17.444 -17.479 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.650 18.593 -20.278 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.172 16.272 -20.947 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.939 16.903 -19.829 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.187 15.780 -19.237 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.506 17.066 -20.806 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.608 16.603 -19.091 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.973 18.274 -19.584 1.00 0.00 H new ATOM 300 N ARG A 21 -5.099 20.498 -15.938 1.00 0.00 N ATOM 301 CA ARG A 21 -4.176 21.449 -15.329 1.00 0.00 C ATOM 302 C ARG A 21 -3.139 20.732 -14.476 1.00 0.00 C ATOM 303 O ARG A 21 -3.298 20.594 -13.263 1.00 0.00 O ATOM 304 CB ARG A 21 -4.943 22.453 -14.479 1.00 0.00 C ATOM 305 CG ARG A 21 -4.688 23.900 -14.866 1.00 0.00 C ATOM 306 CD ARG A 21 -5.986 24.683 -14.977 1.00 0.00 C ATOM 307 NE ARG A 21 -6.391 25.254 -13.696 1.00 0.00 N ATOM 308 CZ ARG A 21 -7.594 25.767 -13.467 1.00 0.00 C ATOM 309 NH1 ARG A 21 -8.507 25.778 -14.430 1.00 0.00 N ATOM 310 NH2 ARG A 21 -7.887 26.270 -12.275 1.00 0.00 N ATOM 0 H ARG A 21 -5.458 19.790 -15.298 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.657 21.978 -16.128 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.010 22.246 -14.562 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.672 22.313 -13.433 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.042 24.368 -14.123 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.158 23.935 -15.818 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.866 25.482 -15.708 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.774 24.028 -15.347 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.712 25.259 -12.935 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.285 25.392 -15.348 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.431 26.172 -14.252 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.188 26.263 -11.533 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.812 26.664 -12.101 1.00 0.00 H new ATOM 324 N TRP A 22 -2.077 20.284 -15.123 1.00 0.00 N ATOM 325 CA TRP A 22 -1.001 19.579 -14.436 1.00 0.00 C ATOM 326 C TRP A 22 0.128 20.534 -14.067 1.00 0.00 C ATOM 327 O TRP A 22 0.822 21.056 -14.938 1.00 0.00 O ATOM 328 CB TRP A 22 -0.450 18.453 -15.313 1.00 0.00 C ATOM 329 CG TRP A 22 -0.007 18.919 -16.667 1.00 0.00 C ATOM 330 CD1 TRP A 22 1.250 19.303 -17.035 1.00 0.00 C ATOM 331 CD2 TRP A 22 -0.825 19.054 -17.832 1.00 0.00 C ATOM 332 NE1 TRP A 22 1.262 19.672 -18.359 1.00 0.00 N ATOM 333 CE2 TRP A 22 -0.001 19.526 -18.871 1.00 0.00 C ATOM 334 CE3 TRP A 22 -2.173 18.819 -18.097 1.00 0.00 C ATOM 335 CZ2 TRP A 22 -0.487 19.770 -20.152 1.00 0.00 C ATOM 336 CZ3 TRP A 22 -2.653 19.061 -19.370 1.00 0.00 C ATOM 337 CH2 TRP A 22 -1.815 19.529 -20.379 1.00 0.00 C ATOM 0 H TRP A 22 -1.934 20.395 -16.127 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.415 19.153 -13.522 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.392 17.985 -14.804 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.216 17.687 -15.433 1.00 0.00 H new ATOM 0 HD1 TRP A 22 2.110 19.315 -16.381 1.00 0.00 H new ATOM 0 HE1 TRP A 22 2.078 20.001 -18.876 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.830 18.454 -17.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.159 20.135 -20.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.696 18.884 -19.586 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -2.222 19.706 -21.363 1.00 0.00 H new ATOM 348 N GLU A 23 0.316 20.748 -12.770 1.00 0.00 N ATOM 349 CA GLU A 23 1.371 21.628 -12.292 1.00 0.00 C ATOM 350 C GLU A 23 2.706 20.894 -12.306 1.00 0.00 C ATOM 351 O GLU A 23 2.847 19.876 -12.980 1.00 0.00 O ATOM 352 CB GLU A 23 1.055 22.121 -10.878 1.00 0.00 C ATOM 353 CG GLU A 23 1.123 23.632 -10.732 1.00 0.00 C ATOM 354 CD GLU A 23 -0.250 24.275 -10.673 1.00 0.00 C ATOM 355 OE1 GLU A 23 -1.162 23.795 -11.377 1.00 0.00 O ATOM 356 OE2 GLU A 23 -0.413 25.257 -9.919 1.00 0.00 O ATOM 0 H GLU A 23 -0.248 20.324 -12.033 1.00 0.00 H new ATOM 0 HA GLU A 23 1.434 22.492 -12.954 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.058 21.782 -10.598 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.755 21.665 -10.178 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.676 23.881 -9.826 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.680 24.050 -11.571 1.00 0.00 H new ATOM 363 N THR A 24 3.683 21.407 -11.568 1.00 0.00 N ATOM 364 CA THR A 24 4.997 20.776 -11.511 1.00 0.00 C ATOM 365 C THR A 24 5.779 21.226 -10.285 1.00 0.00 C ATOM 366 O THR A 24 5.545 22.307 -9.744 1.00 0.00 O ATOM 367 CB THR A 24 5.807 21.097 -12.772 1.00 0.00 C ATOM 368 OG1 THR A 24 5.008 21.785 -13.719 1.00 0.00 O ATOM 369 CG2 THR A 24 6.371 19.866 -13.455 1.00 0.00 C ATOM 0 H THR A 24 3.592 22.252 -11.004 1.00 0.00 H new ATOM 0 HA THR A 24 4.835 19.700 -11.446 1.00 0.00 H new ATOM 0 HB THR A 24 6.638 21.715 -12.431 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.896 21.229 -14.518 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.933 20.166 -14.340 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.032 19.339 -12.767 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.554 19.207 -13.750 1.00 0.00 H new ATOM 377 N MET A 25 6.744 20.407 -9.884 1.00 0.00 N ATOM 378 CA MET A 25 7.604 20.735 -8.758 1.00 0.00 C ATOM 379 C MET A 25 8.701 21.695 -9.210 1.00 0.00 C ATOM 380 O MET A 25 9.559 22.088 -8.418 1.00 0.00 O ATOM 381 CB MET A 25 8.249 19.471 -8.183 1.00 0.00 C ATOM 382 CG MET A 25 7.367 18.723 -7.198 1.00 0.00 C ATOM 383 SD MET A 25 7.065 19.658 -5.687 1.00 0.00 S ATOM 384 CE MET A 25 5.296 19.909 -5.798 1.00 0.00 C ATOM 0 H MET A 25 6.949 19.510 -10.324 1.00 0.00 H new ATOM 0 HA MET A 25 6.994 21.204 -7.986 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.509 18.802 -9.003 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.180 19.744 -7.687 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.414 18.491 -7.673 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.837 17.773 -6.945 1.00 0.00 H new ATOM 0 HE1 MET A 25 4.954 20.475 -4.932 1.00 0.00 H new ATOM 0 HE2 MET A 25 5.063 20.462 -6.708 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.792 18.943 -5.822 1.00 0.00 H new ATOM 394 N LYS A 26 8.683 22.056 -10.499 1.00 0.00 N ATOM 395 CA LYS A 26 9.682 22.946 -11.060 1.00 0.00 C ATOM 396 C LYS A 26 11.020 22.221 -11.226 1.00 0.00 C ATOM 397 O LYS A 26 12.017 22.833 -11.601 1.00 0.00 O ATOM 398 CB LYS A 26 9.845 24.187 -10.184 1.00 0.00 C ATOM 399 CG LYS A 26 8.526 24.756 -9.679 1.00 0.00 C ATOM 400 CD LYS A 26 7.798 25.531 -10.765 1.00 0.00 C ATOM 401 CE LYS A 26 6.307 25.232 -10.758 1.00 0.00 C ATOM 402 NZ LYS A 26 5.497 26.442 -10.446 1.00 0.00 N ATOM 0 H LYS A 26 7.981 21.739 -11.167 1.00 0.00 H new ATOM 0 HA LYS A 26 9.344 23.264 -12.046 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.474 23.938 -9.329 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.369 24.956 -10.752 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.892 23.944 -9.323 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.714 25.411 -8.828 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.957 26.600 -10.620 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.217 25.276 -11.739 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.012 24.839 -11.731 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.096 24.455 -10.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.487 26.194 -10.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.760 26.803 -9.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.678 27.175 -11.162 1.00 0.00 H new ATOM 416 N MET A 27 11.020 20.905 -10.950 1.00 0.00 N ATOM 417 CA MET A 27 12.212 20.064 -11.068 1.00 0.00 C ATOM 418 C MET A 27 13.491 20.809 -10.708 1.00 0.00 C ATOM 419 O MET A 27 14.037 21.562 -11.515 1.00 0.00 O ATOM 420 CB MET A 27 12.318 19.491 -12.477 1.00 0.00 C ATOM 421 CG MET A 27 12.076 17.993 -12.530 1.00 0.00 C ATOM 422 SD MET A 27 10.430 17.534 -11.948 1.00 0.00 S ATOM 423 CE MET A 27 9.385 18.430 -13.096 1.00 0.00 C ATOM 0 H MET A 27 10.190 20.400 -10.639 1.00 0.00 H new ATOM 0 HA MET A 27 12.100 19.251 -10.351 1.00 0.00 H new ATOM 0 HB2 MET A 27 11.597 19.993 -13.122 1.00 0.00 H new ATOM 0 HB3 MET A 27 13.308 19.708 -12.877 1.00 0.00 H new ATOM 0 HG2 MET A 27 12.205 17.644 -13.554 1.00 0.00 H new ATOM 0 HG3 MET A 27 12.826 17.486 -11.923 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.339 18.285 -12.826 1.00 0.00 H new ATOM 0 HE2 MET A 27 9.626 19.492 -13.055 1.00 0.00 H new ATOM 0 HE3 MET A 27 9.553 18.059 -14.107 1.00 0.00 H new ATOM 433 N ARG A 28 13.971 20.581 -9.494 1.00 0.00 N ATOM 434 CA ARG A 28 15.191 21.220 -9.021 1.00 0.00 C ATOM 435 C ARG A 28 16.425 20.545 -9.620 1.00 0.00 C ATOM 436 O ARG A 28 17.312 20.097 -8.892 1.00 0.00 O ATOM 437 CB ARG A 28 15.255 21.172 -7.489 1.00 0.00 C ATOM 438 CG ARG A 28 13.891 21.178 -6.801 1.00 0.00 C ATOM 439 CD ARG A 28 13.642 19.881 -6.051 1.00 0.00 C ATOM 440 NE ARG A 28 12.769 20.076 -4.897 1.00 0.00 N ATOM 441 CZ ARG A 28 12.213 19.079 -4.216 1.00 0.00 C ATOM 442 NH1 ARG A 28 12.442 17.822 -4.569 1.00 0.00 N ATOM 443 NH2 ARG A 28 11.427 19.339 -3.179 1.00 0.00 N ATOM 0 H ARG A 28 13.533 19.957 -8.817 1.00 0.00 H new ATOM 0 HA ARG A 28 15.178 22.261 -9.343 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.797 20.275 -7.188 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.831 22.027 -7.134 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.835 22.017 -6.108 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.108 21.326 -7.544 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.193 19.152 -6.726 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.594 19.465 -5.720 1.00 0.00 H new ATOM 0 HE ARG A 28 12.575 21.031 -4.596 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.046 17.618 -5.365 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.014 17.059 -4.045 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.249 20.305 -2.904 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.001 18.573 -2.657 1.00 0.00 H new ATOM 457 N TYR A 29 16.475 20.473 -10.951 1.00 0.00 N ATOM 458 CA TYR A 29 17.595 19.849 -11.648 1.00 0.00 C ATOM 459 C TYR A 29 18.547 20.908 -12.194 1.00 0.00 C ATOM 460 O TYR A 29 19.616 21.146 -11.631 1.00 0.00 O ATOM 461 CB TYR A 29 17.079 18.973 -12.796 1.00 0.00 C ATOM 462 CG TYR A 29 16.368 17.708 -12.350 1.00 0.00 C ATOM 463 CD1 TYR A 29 16.070 17.478 -11.010 1.00 0.00 C ATOM 464 CD2 TYR A 29 15.990 16.744 -13.277 1.00 0.00 C ATOM 465 CE1 TYR A 29 15.420 16.326 -10.609 1.00 0.00 C ATOM 466 CE2 TYR A 29 15.339 15.591 -12.883 1.00 0.00 C ATOM 467 CZ TYR A 29 15.057 15.386 -11.550 1.00 0.00 C ATOM 468 OH TYR A 29 14.408 14.239 -11.154 1.00 0.00 O ATOM 0 H TYR A 29 15.750 20.841 -11.567 1.00 0.00 H new ATOM 0 HA TYR A 29 18.138 19.226 -10.937 1.00 0.00 H new ATOM 0 HB2 TYR A 29 16.396 19.562 -13.408 1.00 0.00 H new ATOM 0 HB3 TYR A 29 17.920 18.697 -13.432 1.00 0.00 H new ATOM 0 HD1 TYR A 29 16.352 18.213 -10.270 1.00 0.00 H new ATOM 0 HD2 TYR A 29 16.209 16.899 -14.323 1.00 0.00 H new ATOM 0 HE1 TYR A 29 15.198 16.163 -9.565 1.00 0.00 H new ATOM 0 HE2 TYR A 29 15.052 14.853 -13.617 1.00 0.00 H new ATOM 0 HH TYR A 29 14.221 13.681 -11.938 1.00 0.00 H new ATOM 478 N GLU A 30 18.152 21.541 -13.295 1.00 0.00 N ATOM 479 CA GLU A 30 18.973 22.573 -13.915 1.00 0.00 C ATOM 480 C GLU A 30 18.193 23.322 -14.991 1.00 0.00 C ATOM 481 O GLU A 30 18.468 23.181 -16.182 1.00 0.00 O ATOM 482 CB GLU A 30 20.237 21.958 -14.517 1.00 0.00 C ATOM 483 CG GLU A 30 21.280 22.988 -14.919 1.00 0.00 C ATOM 484 CD GLU A 30 22.662 22.387 -15.077 1.00 0.00 C ATOM 485 OE1 GLU A 30 22.988 21.932 -16.195 1.00 0.00 O ATOM 486 OE2 GLU A 30 23.420 22.370 -14.084 1.00 0.00 O ATOM 0 H GLU A 30 17.271 21.357 -13.774 1.00 0.00 H new ATOM 0 HA GLU A 30 19.258 23.285 -13.141 1.00 0.00 H new ATOM 0 HB2 GLU A 30 20.677 21.270 -13.794 1.00 0.00 H new ATOM 0 HB3 GLU A 30 19.963 21.369 -15.392 1.00 0.00 H new ATOM 0 HG2 GLU A 30 20.981 23.455 -15.858 1.00 0.00 H new ATOM 0 HG3 GLU A 30 21.315 23.777 -14.168 1.00 0.00 H new ATOM 493 N HIS A 31 17.224 24.125 -14.559 1.00 0.00 N ATOM 494 CA HIS A 31 16.404 24.908 -15.478 1.00 0.00 C ATOM 495 C HIS A 31 15.499 24.016 -16.321 1.00 0.00 C ATOM 496 O HIS A 31 14.327 23.821 -15.999 1.00 0.00 O ATOM 497 CB HIS A 31 17.295 25.778 -16.373 1.00 0.00 C ATOM 498 CG HIS A 31 18.170 26.721 -15.606 1.00 0.00 C ATOM 499 ND1 HIS A 31 18.023 28.093 -15.646 1.00 0.00 N ATOM 500 CD2 HIS A 31 19.210 26.482 -14.771 1.00 0.00 C ATOM 501 CE1 HIS A 31 18.936 28.655 -14.873 1.00 0.00 C ATOM 502 NE2 HIS A 31 19.668 27.700 -14.331 1.00 0.00 N ATOM 0 H HIS A 31 16.987 24.250 -13.575 1.00 0.00 H new ATOM 0 HA HIS A 31 15.760 25.557 -14.884 1.00 0.00 H new ATOM 0 HB2 HIS A 31 17.921 25.131 -16.987 1.00 0.00 H new ATOM 0 HB3 HIS A 31 16.665 26.351 -17.053 1.00 0.00 H new ATOM 0 HD2 HIS A 31 19.605 25.514 -14.501 1.00 0.00 H new ATOM 0 HE1 HIS A 31 19.062 29.716 -14.712 1.00 0.00 H new ATOM 0 HE2 HIS A 31 20.448 27.843 -13.689 1.00 0.00 H new ATOM 511 N ILE A 32 16.049 23.476 -17.398 1.00 0.00 N ATOM 512 CA ILE A 32 15.299 22.601 -18.295 1.00 0.00 C ATOM 513 C ILE A 32 14.038 23.285 -18.813 1.00 0.00 C ATOM 514 O ILE A 32 13.595 24.296 -18.267 1.00 0.00 O ATOM 515 CB ILE A 32 14.889 21.284 -17.604 1.00 0.00 C ATOM 516 CG1 ILE A 32 15.937 20.853 -16.578 1.00 0.00 C ATOM 517 CG2 ILE A 32 14.678 20.187 -18.637 1.00 0.00 C ATOM 518 CD1 ILE A 32 15.471 19.723 -15.689 1.00 0.00 C ATOM 0 H ILE A 32 17.019 23.628 -17.676 1.00 0.00 H new ATOM 0 HA ILE A 32 15.966 22.378 -19.128 1.00 0.00 H new ATOM 0 HB ILE A 32 13.950 21.456 -17.078 1.00 0.00 H new ATOM 0 HG12 ILE A 32 16.843 20.545 -17.101 1.00 0.00 H new ATOM 0 HG13 ILE A 32 16.202 21.709 -15.958 1.00 0.00 H new ATOM 0 HG21 ILE A 32 14.389 19.264 -18.134 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.890 20.485 -19.329 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.603 20.025 -19.190 1.00 0.00 H new ATOM 0 HD11 ILE A 32 16.261 19.465 -14.984 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.582 20.035 -15.140 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.233 18.853 -16.301 1.00 0.00 H new ATOM 530 N ASP A 33 13.458 22.715 -19.865 1.00 0.00 N ATOM 531 CA ASP A 33 12.238 23.251 -20.457 1.00 0.00 C ATOM 532 C ASP A 33 11.053 22.353 -20.115 1.00 0.00 C ATOM 533 O ASP A 33 9.939 22.827 -19.896 1.00 0.00 O ATOM 534 CB ASP A 33 12.389 23.368 -21.975 1.00 0.00 C ATOM 535 CG ASP A 33 11.686 24.590 -22.533 1.00 0.00 C ATOM 536 OD1 ASP A 33 11.040 25.315 -21.748 1.00 0.00 O ATOM 537 OD2 ASP A 33 11.783 24.823 -23.756 1.00 0.00 O ATOM 0 H ASP A 33 13.816 21.878 -20.326 1.00 0.00 H new ATOM 0 HA ASP A 33 12.059 24.245 -20.048 1.00 0.00 H new ATOM 0 HB2 ASP A 33 13.448 23.413 -22.230 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.986 22.473 -22.448 1.00 0.00 H new ATOM 542 N HIS A 34 11.316 21.052 -20.059 1.00 0.00 N ATOM 543 CA HIS A 34 10.296 20.064 -19.727 1.00 0.00 C ATOM 544 C HIS A 34 9.190 20.004 -20.775 1.00 0.00 C ATOM 545 O HIS A 34 8.736 21.029 -21.284 1.00 0.00 O ATOM 546 CB HIS A 34 9.699 20.354 -18.348 1.00 0.00 C ATOM 547 CG HIS A 34 10.437 19.679 -17.240 1.00 0.00 C ATOM 548 ND1 HIS A 34 11.393 20.310 -16.473 1.00 0.00 N ATOM 549 CD2 HIS A 34 10.367 18.411 -16.783 1.00 0.00 C ATOM 550 CE1 HIS A 34 11.880 19.454 -15.593 1.00 0.00 C ATOM 551 NE2 HIS A 34 11.272 18.295 -15.760 1.00 0.00 N ATOM 0 H HIS A 34 12.237 20.654 -20.241 1.00 0.00 H new ATOM 0 HA HIS A 34 10.785 19.090 -19.711 1.00 0.00 H new ATOM 0 HB2 HIS A 34 9.701 21.430 -18.176 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.658 20.031 -18.334 1.00 0.00 H new ATOM 0 HD1 HIS A 34 11.679 21.284 -16.570 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.718 17.632 -17.155 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.645 19.667 -14.861 1.00 0.00 H new ATOM 560 N THR A 35 8.754 18.783 -21.073 1.00 0.00 N ATOM 561 CA THR A 35 7.690 18.549 -22.041 1.00 0.00 C ATOM 562 C THR A 35 6.669 17.575 -21.464 1.00 0.00 C ATOM 563 O THR A 35 7.036 16.604 -20.801 1.00 0.00 O ATOM 564 CB THR A 35 8.264 17.994 -23.348 1.00 0.00 C ATOM 565 OG1 THR A 35 9.352 18.782 -23.793 1.00 0.00 O ATOM 566 CG2 THR A 35 7.249 17.936 -24.470 1.00 0.00 C ATOM 0 H THR A 35 9.127 17.932 -20.652 1.00 0.00 H new ATOM 0 HA THR A 35 7.199 19.498 -22.255 1.00 0.00 H new ATOM 0 HB THR A 35 8.583 16.978 -23.115 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.705 18.410 -24.628 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.720 17.534 -25.367 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.419 17.293 -24.177 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.876 18.939 -24.675 1.00 0.00 H new ATOM 574 N PHE A 36 5.390 17.841 -21.700 1.00 0.00 N ATOM 575 CA PHE A 36 4.330 16.983 -21.182 1.00 0.00 C ATOM 576 C PHE A 36 3.580 16.276 -22.308 1.00 0.00 C ATOM 577 O PHE A 36 3.356 16.849 -23.374 1.00 0.00 O ATOM 578 CB PHE A 36 3.351 17.803 -20.341 1.00 0.00 C ATOM 579 CG PHE A 36 4.013 18.573 -19.237 1.00 0.00 C ATOM 580 CD1 PHE A 36 4.482 19.858 -19.457 1.00 0.00 C ATOM 581 CD2 PHE A 36 4.171 18.010 -17.981 1.00 0.00 C ATOM 582 CE1 PHE A 36 5.097 20.567 -18.443 1.00 0.00 C ATOM 583 CE2 PHE A 36 4.783 18.714 -16.963 1.00 0.00 C ATOM 584 CZ PHE A 36 5.247 19.994 -17.195 1.00 0.00 C ATOM 0 H PHE A 36 5.062 18.639 -22.244 1.00 0.00 H new ATOM 0 HA PHE A 36 4.796 16.221 -20.557 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.820 18.498 -20.991 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.605 17.135 -19.911 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.366 20.310 -20.431 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.811 17.009 -17.796 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.460 21.568 -18.626 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.899 18.265 -15.988 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.727 20.547 -16.401 1.00 0.00 H new ATOM 594 N GLU A 37 3.190 15.028 -22.057 1.00 0.00 N ATOM 595 CA GLU A 37 2.458 14.240 -23.045 1.00 0.00 C ATOM 596 C GLU A 37 1.040 13.952 -22.558 1.00 0.00 C ATOM 597 O GLU A 37 0.844 13.191 -21.612 1.00 0.00 O ATOM 598 CB GLU A 37 3.192 12.926 -23.325 1.00 0.00 C ATOM 599 CG GLU A 37 3.721 12.816 -24.745 1.00 0.00 C ATOM 600 CD GLU A 37 3.815 11.379 -25.220 1.00 0.00 C ATOM 601 OE1 GLU A 37 4.578 10.601 -24.609 1.00 0.00 O ATOM 602 OE2 GLU A 37 3.128 11.033 -26.203 1.00 0.00 O ATOM 0 H GLU A 37 3.369 14.541 -21.179 1.00 0.00 H new ATOM 0 HA GLU A 37 2.399 14.816 -23.968 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.024 12.828 -22.628 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.515 12.093 -23.133 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.069 13.375 -25.416 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.707 13.278 -24.799 1.00 0.00 H new ATOM 609 N ILE A 38 0.056 14.566 -23.210 1.00 0.00 N ATOM 610 CA ILE A 38 -1.345 14.381 -22.842 1.00 0.00 C ATOM 611 C ILE A 38 -1.953 13.186 -23.577 1.00 0.00 C ATOM 612 O ILE A 38 -1.745 13.008 -24.777 1.00 0.00 O ATOM 613 CB ILE A 38 -2.173 15.662 -23.132 1.00 0.00 C ATOM 614 CG1 ILE A 38 -1.834 16.750 -22.112 1.00 0.00 C ATOM 615 CG2 ILE A 38 -3.674 15.382 -23.111 1.00 0.00 C ATOM 616 CD1 ILE A 38 -0.890 17.803 -22.642 1.00 0.00 C ATOM 0 H ILE A 38 0.204 15.197 -23.997 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.378 14.183 -21.771 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.910 16.005 -24.133 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.756 17.231 -21.787 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.389 16.285 -21.232 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.219 16.303 -23.318 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.916 14.638 -23.870 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.960 15.004 -22.129 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.695 18.541 -21.864 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.048 17.334 -22.941 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.341 18.295 -23.504 1.00 0.00 H new ATOM 628 N GLN A 39 -2.712 12.381 -22.842 1.00 0.00 N ATOM 629 CA GLN A 39 -3.365 11.208 -23.410 1.00 0.00 C ATOM 630 C GLN A 39 -4.726 10.985 -22.755 1.00 0.00 C ATOM 631 O GLN A 39 -4.809 10.479 -21.636 1.00 0.00 O ATOM 632 CB GLN A 39 -2.482 9.971 -23.228 1.00 0.00 C ATOM 633 CG GLN A 39 -3.014 8.734 -23.929 1.00 0.00 C ATOM 634 CD GLN A 39 -2.223 7.484 -23.594 1.00 0.00 C ATOM 635 OE1 GLN A 39 -2.782 6.483 -23.148 1.00 0.00 O ATOM 636 NE2 GLN A 39 -0.912 7.537 -23.808 1.00 0.00 N ATOM 0 H GLN A 39 -2.891 12.520 -21.847 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.517 11.378 -24.476 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.483 10.190 -23.605 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.382 9.760 -22.163 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.057 8.584 -23.650 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.992 8.895 -25.007 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.490 8.388 -24.179 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.328 6.727 -23.601 1.00 0.00 H new ATOM 645 N TYR A 40 -5.793 11.375 -23.453 1.00 0.00 N ATOM 646 CA TYR A 40 -7.144 11.220 -22.922 1.00 0.00 C ATOM 647 C TYR A 40 -7.916 10.128 -23.653 1.00 0.00 C ATOM 648 O TYR A 40 -8.196 10.239 -24.846 1.00 0.00 O ATOM 649 CB TYR A 40 -7.915 12.543 -22.996 1.00 0.00 C ATOM 650 CG TYR A 40 -7.964 13.163 -24.375 1.00 0.00 C ATOM 651 CD1 TYR A 40 -6.975 14.041 -24.802 1.00 0.00 C ATOM 652 CD2 TYR A 40 -9.010 12.882 -25.246 1.00 0.00 C ATOM 653 CE1 TYR A 40 -7.027 14.620 -26.056 1.00 0.00 C ATOM 654 CE2 TYR A 40 -9.067 13.453 -26.502 1.00 0.00 C ATOM 655 CZ TYR A 40 -8.075 14.322 -26.903 1.00 0.00 C ATOM 656 OH TYR A 40 -8.133 14.896 -28.154 1.00 0.00 O ATOM 0 H TYR A 40 -5.747 11.797 -24.380 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.046 10.924 -21.878 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -8.935 12.375 -22.651 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.459 13.254 -22.307 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -6.152 14.275 -24.143 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -9.792 12.205 -24.935 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -6.251 15.302 -26.371 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.885 13.220 -27.167 1.00 0.00 H new ATOM 0 HH TYR A 40 -7.262 15.287 -28.375 1.00 0.00 H new ATOM 666 N ARG A 41 -8.273 9.077 -22.917 1.00 0.00 N ATOM 667 CA ARG A 41 -9.031 7.970 -23.478 1.00 0.00 C ATOM 668 C ARG A 41 -10.450 7.982 -22.925 1.00 0.00 C ATOM 669 O ARG A 41 -10.938 9.023 -22.487 1.00 0.00 O ATOM 670 CB ARG A 41 -8.339 6.632 -23.182 1.00 0.00 C ATOM 671 CG ARG A 41 -8.540 6.110 -21.765 1.00 0.00 C ATOM 672 CD ARG A 41 -8.924 4.639 -21.767 1.00 0.00 C ATOM 673 NE ARG A 41 -9.768 4.289 -20.629 1.00 0.00 N ATOM 674 CZ ARG A 41 -9.880 3.055 -20.144 1.00 0.00 C ATOM 675 NH1 ARG A 41 -9.209 2.057 -20.703 1.00 0.00 N ATOM 676 NH2 ARG A 41 -10.666 2.818 -19.103 1.00 0.00 N ATOM 0 H ARG A 41 -8.047 8.973 -21.928 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.077 8.088 -24.561 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.707 5.885 -23.885 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.270 6.743 -23.365 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.624 6.248 -21.191 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.318 6.690 -21.268 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.449 4.403 -22.693 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.021 4.029 -21.749 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.302 5.033 -20.180 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.606 2.235 -21.506 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.296 1.112 -20.330 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.186 3.582 -18.672 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.750 1.871 -18.733 1.00 0.00 H new ATOM 690 N LYS A 42 -11.117 6.834 -22.946 1.00 0.00 N ATOM 691 CA LYS A 42 -12.483 6.757 -22.443 1.00 0.00 C ATOM 692 C LYS A 42 -12.723 5.486 -21.646 1.00 0.00 C ATOM 693 O LYS A 42 -12.061 4.469 -21.851 1.00 0.00 O ATOM 694 CB LYS A 42 -13.479 6.836 -23.597 1.00 0.00 C ATOM 695 CG LYS A 42 -13.110 7.873 -24.636 1.00 0.00 C ATOM 696 CD LYS A 42 -12.567 7.224 -25.898 1.00 0.00 C ATOM 697 CE LYS A 42 -12.410 8.239 -27.015 1.00 0.00 C ATOM 698 NZ LYS A 42 -12.822 7.685 -28.334 1.00 0.00 N ATOM 0 H LYS A 42 -10.741 5.955 -23.301 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.630 7.606 -21.775 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.547 5.860 -24.077 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.468 7.066 -23.200 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.987 8.472 -24.881 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.364 8.553 -24.225 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.603 6.761 -25.686 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.239 6.428 -26.219 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.009 9.122 -26.790 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.371 8.563 -27.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.091 7.896 -29.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.942 6.655 -28.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.722 8.117 -28.626 1.00 0.00 H new ATOM 712 N ASP A 43 -13.694 5.555 -20.743 1.00 0.00 N ATOM 713 CA ASP A 43 -14.054 4.415 -19.914 1.00 0.00 C ATOM 714 C ASP A 43 -14.443 3.222 -20.786 1.00 0.00 C ATOM 715 O ASP A 43 -14.401 2.076 -20.340 1.00 0.00 O ATOM 716 CB ASP A 43 -15.209 4.797 -18.983 1.00 0.00 C ATOM 717 CG ASP A 43 -15.786 3.608 -18.239 1.00 0.00 C ATOM 718 OD1 ASP A 43 -16.650 2.911 -18.812 1.00 0.00 O ATOM 719 OD2 ASP A 43 -15.375 3.374 -17.082 1.00 0.00 O ATOM 0 H ASP A 43 -14.248 6.394 -20.567 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.192 4.129 -19.311 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -14.858 5.535 -18.262 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -15.998 5.271 -19.567 1.00 0.00 H new ATOM 724 N THR A 44 -14.817 3.502 -22.034 1.00 0.00 N ATOM 725 CA THR A 44 -15.208 2.453 -22.968 1.00 0.00 C ATOM 726 C THR A 44 -14.019 2.014 -23.814 1.00 0.00 C ATOM 727 O THR A 44 -13.882 0.836 -24.146 1.00 0.00 O ATOM 728 CB THR A 44 -16.344 2.939 -23.874 1.00 0.00 C ATOM 729 OG1 THR A 44 -16.473 2.101 -25.008 1.00 0.00 O ATOM 730 CG2 THR A 44 -16.155 4.356 -24.370 1.00 0.00 C ATOM 0 H THR A 44 -14.857 4.446 -22.419 1.00 0.00 H new ATOM 0 HA THR A 44 -15.559 1.598 -22.390 1.00 0.00 H new ATOM 0 HB THR A 44 -17.239 2.907 -23.253 1.00 0.00 H new ATOM 0 HG1 THR A 44 -17.204 2.426 -25.574 1.00 0.00 H new ATOM 0 HG21 THR A 44 -16.996 4.634 -25.005 1.00 0.00 H new ATOM 0 HG22 THR A 44 -16.103 5.035 -23.519 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.230 4.421 -24.943 1.00 0.00 H new ATOM 738 N ALA A 45 -13.158 2.967 -24.159 1.00 0.00 N ATOM 739 CA ALA A 45 -11.979 2.673 -24.965 1.00 0.00 C ATOM 740 C ALA A 45 -10.863 2.081 -24.110 1.00 0.00 C ATOM 741 O ALA A 45 -10.861 2.224 -22.887 1.00 0.00 O ATOM 742 CB ALA A 45 -11.497 3.928 -25.673 1.00 0.00 C ATOM 0 H ALA A 45 -13.255 3.947 -23.893 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.257 1.932 -25.715 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.616 3.693 -26.271 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.287 4.305 -26.323 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.242 4.687 -24.934 1.00 0.00 H new ATOM 748 N THR A 46 -9.918 1.414 -24.763 1.00 0.00 N ATOM 749 CA THR A 46 -8.795 0.795 -24.067 1.00 0.00 C ATOM 750 C THR A 46 -7.503 1.567 -24.325 1.00 0.00 C ATOM 751 O THR A 46 -6.467 0.978 -24.638 1.00 0.00 O ATOM 752 CB THR A 46 -8.640 -0.659 -24.516 1.00 0.00 C ATOM 753 OG1 THR A 46 -9.694 -1.029 -25.387 1.00 0.00 O ATOM 754 CG2 THR A 46 -8.628 -1.644 -23.368 1.00 0.00 C ATOM 0 H THR A 46 -9.907 1.288 -25.775 1.00 0.00 H new ATOM 0 HA THR A 46 -8.998 0.819 -22.996 1.00 0.00 H new ATOM 0 HB THR A 46 -7.675 -0.703 -25.020 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.577 -1.961 -25.665 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.515 -2.656 -23.758 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.795 -1.417 -22.702 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.565 -1.570 -22.816 1.00 0.00 H new ATOM 762 N TRP A 47 -7.570 2.887 -24.193 1.00 0.00 N ATOM 763 CA TRP A 47 -6.405 3.739 -24.413 1.00 0.00 C ATOM 764 C TRP A 47 -5.900 3.620 -25.851 1.00 0.00 C ATOM 765 O TRP A 47 -4.765 3.996 -26.149 1.00 0.00 O ATOM 766 CB TRP A 47 -5.288 3.367 -23.438 1.00 0.00 C ATOM 767 CG TRP A 47 -5.646 3.618 -22.007 1.00 0.00 C ATOM 768 CD1 TRP A 47 -6.083 2.698 -21.098 1.00 0.00 C ATOM 769 CD2 TRP A 47 -5.602 4.874 -21.320 1.00 0.00 C ATOM 770 NE1 TRP A 47 -6.314 3.304 -19.888 1.00 0.00 N ATOM 771 CE2 TRP A 47 -6.026 4.640 -19.998 1.00 0.00 C ATOM 772 CE3 TRP A 47 -5.246 6.175 -21.692 1.00 0.00 C ATOM 773 CZ2 TRP A 47 -6.102 5.656 -19.050 1.00 0.00 C ATOM 774 CZ3 TRP A 47 -5.322 7.182 -20.749 1.00 0.00 C ATOM 775 CH2 TRP A 47 -5.748 6.917 -19.441 1.00 0.00 C ATOM 0 H TRP A 47 -8.418 3.391 -23.935 1.00 0.00 H new ATOM 0 HA TRP A 47 -6.705 4.772 -24.239 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -5.041 2.313 -23.564 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -4.393 3.937 -23.687 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.226 1.647 -21.301 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.646 2.836 -19.044 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -4.918 6.388 -22.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.429 5.455 -18.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.049 8.190 -21.025 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.798 7.726 -18.727 1.00 0.00 H new ATOM 786 N LYS A 48 -6.745 3.099 -26.738 1.00 0.00 N ATOM 787 CA LYS A 48 -6.377 2.936 -28.142 1.00 0.00 C ATOM 788 C LYS A 48 -6.803 4.152 -28.953 1.00 0.00 C ATOM 789 O LYS A 48 -6.020 4.702 -29.727 1.00 0.00 O ATOM 790 CB LYS A 48 -7.030 1.679 -28.721 1.00 0.00 C ATOM 791 CG LYS A 48 -6.961 0.476 -27.800 1.00 0.00 C ATOM 792 CD LYS A 48 -5.821 -0.447 -28.188 1.00 0.00 C ATOM 793 CE LYS A 48 -6.322 -1.653 -28.966 1.00 0.00 C ATOM 794 NZ LYS A 48 -5.582 -1.839 -30.246 1.00 0.00 N ATOM 0 H LYS A 48 -7.688 2.783 -26.510 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.293 2.835 -28.199 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.075 1.894 -28.946 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.545 1.431 -29.665 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.828 0.810 -26.771 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.904 -0.070 -27.839 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.097 0.101 -28.791 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.301 -0.782 -27.291 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.217 -2.548 -28.353 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.385 -1.533 -29.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.955 -2.672 -30.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.702 -0.996 -30.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.571 -1.980 -30.045 1.00 0.00 H new ATOM 808 N ASP A 49 -8.050 4.563 -28.769 1.00 0.00 N ATOM 809 CA ASP A 49 -8.589 5.714 -29.480 1.00 0.00 C ATOM 810 C ASP A 49 -8.138 7.022 -28.833 1.00 0.00 C ATOM 811 O ASP A 49 -8.231 8.088 -29.442 1.00 0.00 O ATOM 812 CB ASP A 49 -10.118 5.649 -29.510 1.00 0.00 C ATOM 813 CG ASP A 49 -10.633 4.481 -30.329 1.00 0.00 C ATOM 814 OD1 ASP A 49 -10.635 4.583 -31.574 1.00 0.00 O ATOM 815 OD2 ASP A 49 -11.035 3.464 -29.725 1.00 0.00 O ATOM 0 H ASP A 49 -8.709 4.115 -28.132 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.207 5.687 -30.501 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.495 5.568 -28.491 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.510 6.579 -29.922 1.00 0.00 H new ATOM 820 N SER A 50 -7.643 6.937 -27.599 1.00 0.00 N ATOM 821 CA SER A 50 -7.175 8.115 -26.879 1.00 0.00 C ATOM 822 C SER A 50 -6.237 8.947 -27.747 1.00 0.00 C ATOM 823 O SER A 50 -5.404 8.404 -28.474 1.00 0.00 O ATOM 824 CB SER A 50 -6.464 7.699 -25.592 1.00 0.00 C ATOM 825 OG SER A 50 -5.073 7.530 -25.807 1.00 0.00 O ATOM 0 H SER A 50 -7.557 6.064 -27.079 1.00 0.00 H new ATOM 0 HA SER A 50 -8.042 8.726 -26.627 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.627 8.454 -24.823 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.893 6.768 -25.221 1.00 0.00 H new ATOM 0 HG SER A 50 -4.697 6.975 -25.092 1.00 0.00 H new ATOM 831 N LYS A 51 -6.377 10.264 -27.670 1.00 0.00 N ATOM 832 CA LYS A 51 -5.544 11.167 -28.453 1.00 0.00 C ATOM 833 C LYS A 51 -4.251 11.500 -27.715 1.00 0.00 C ATOM 834 O LYS A 51 -4.271 11.906 -26.553 1.00 0.00 O ATOM 835 CB LYS A 51 -6.310 12.452 -28.765 1.00 0.00 C ATOM 836 CG LYS A 51 -6.654 12.611 -30.236 1.00 0.00 C ATOM 837 CD LYS A 51 -5.974 13.831 -30.837 1.00 0.00 C ATOM 838 CE LYS A 51 -6.177 13.895 -32.343 1.00 0.00 C ATOM 839 NZ LYS A 51 -5.258 14.876 -32.986 1.00 0.00 N ATOM 0 H LYS A 51 -7.060 10.731 -27.073 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.287 10.665 -29.386 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.230 12.468 -28.181 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.715 13.307 -28.445 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.349 11.718 -30.781 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.734 12.701 -30.351 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.372 14.735 -30.376 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.908 13.802 -30.613 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.013 12.907 -32.774 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.210 14.169 -32.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.428 14.890 -34.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.432 15.823 -32.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.272 14.600 -32.802 1.00 0.00 H new ATOM 853 N THR A 52 -3.126 11.330 -28.404 1.00 0.00 N ATOM 854 CA THR A 52 -1.821 11.619 -27.822 1.00 0.00 C ATOM 855 C THR A 52 -1.366 13.024 -28.200 1.00 0.00 C ATOM 856 O THR A 52 -0.876 13.254 -29.306 1.00 0.00 O ATOM 857 CB THR A 52 -0.790 10.588 -28.288 1.00 0.00 C ATOM 858 OG1 THR A 52 -1.188 9.280 -27.921 1.00 0.00 O ATOM 859 CG2 THR A 52 0.593 10.825 -27.718 1.00 0.00 C ATOM 0 H THR A 52 -3.093 10.993 -29.366 1.00 0.00 H new ATOM 0 HA THR A 52 -1.909 11.562 -26.737 1.00 0.00 H new ATOM 0 HB THR A 52 -0.742 10.696 -29.372 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.517 8.635 -28.229 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.275 10.059 -28.088 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.950 11.808 -28.025 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.551 10.778 -26.630 1.00 0.00 H new ATOM 867 N GLU A 53 -1.535 13.962 -27.276 1.00 0.00 N ATOM 868 CA GLU A 53 -1.147 15.347 -27.514 1.00 0.00 C ATOM 869 C GLU A 53 0.155 15.677 -26.793 1.00 0.00 C ATOM 870 O GLU A 53 0.429 15.155 -25.714 1.00 0.00 O ATOM 871 CB GLU A 53 -2.257 16.295 -27.054 1.00 0.00 C ATOM 872 CG GLU A 53 -2.872 17.104 -28.187 1.00 0.00 C ATOM 873 CD GLU A 53 -1.915 18.130 -28.759 1.00 0.00 C ATOM 874 OE1 GLU A 53 -0.919 17.724 -29.393 1.00 0.00 O ATOM 875 OE2 GLU A 53 -2.162 19.340 -28.574 1.00 0.00 O ATOM 0 H GLU A 53 -1.938 13.789 -26.355 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.990 15.477 -28.585 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.040 15.715 -26.565 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.854 16.979 -26.307 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.190 16.427 -28.980 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.766 17.610 -27.823 1.00 0.00 H new ATOM 882 N THR A 54 0.958 16.544 -27.400 1.00 0.00 N ATOM 883 CA THR A 54 2.233 16.938 -26.815 1.00 0.00 C ATOM 884 C THR A 54 2.355 18.456 -26.730 1.00 0.00 C ATOM 885 O THR A 54 2.006 19.172 -27.669 1.00 0.00 O ATOM 886 CB THR A 54 3.392 16.369 -27.635 1.00 0.00 C ATOM 887 OG1 THR A 54 3.066 15.088 -28.141 1.00 0.00 O ATOM 888 CG2 THR A 54 4.676 16.237 -26.844 1.00 0.00 C ATOM 0 H THR A 54 0.749 16.986 -28.295 1.00 0.00 H new ATOM 0 HA THR A 54 2.276 16.533 -25.804 1.00 0.00 H new ATOM 0 HB THR A 54 3.553 17.083 -28.442 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.819 14.742 -28.664 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.457 15.828 -27.484 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.982 17.218 -26.480 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.515 15.570 -25.997 1.00 0.00 H new ATOM 896 N LEU A 55 2.864 18.937 -25.602 1.00 0.00 N ATOM 897 CA LEU A 55 3.048 20.369 -25.386 1.00 0.00 C ATOM 898 C LEU A 55 4.354 20.629 -24.643 1.00 0.00 C ATOM 899 O LEU A 55 4.756 19.846 -23.782 1.00 0.00 O ATOM 900 CB LEU A 55 1.873 20.970 -24.598 1.00 0.00 C ATOM 901 CG LEU A 55 0.921 19.972 -23.954 1.00 0.00 C ATOM 902 CD1 LEU A 55 0.122 19.233 -25.011 1.00 0.00 C ATOM 903 CD2 LEU A 55 1.696 19.007 -23.079 1.00 0.00 C ATOM 0 H LEU A 55 3.158 18.354 -24.819 1.00 0.00 H new ATOM 0 HA LEU A 55 3.087 20.850 -26.363 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.277 21.613 -23.816 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.299 21.608 -25.270 1.00 0.00 H new ATOM 0 HG LEU A 55 0.214 20.514 -23.326 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.552 18.525 -24.529 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.459 19.948 -25.594 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.802 18.695 -25.671 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.007 18.296 -22.622 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.423 18.468 -23.687 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.216 19.561 -22.298 1.00 0.00 H new ATOM 915 N GLN A 56 5.015 21.730 -24.981 1.00 0.00 N ATOM 916 CA GLN A 56 6.276 22.086 -24.343 1.00 0.00 C ATOM 917 C GLN A 56 6.047 23.027 -23.165 1.00 0.00 C ATOM 918 O GLN A 56 5.376 24.050 -23.295 1.00 0.00 O ATOM 919 CB GLN A 56 7.219 22.737 -25.357 1.00 0.00 C ATOM 920 CG GLN A 56 8.524 21.982 -25.543 1.00 0.00 C ATOM 921 CD GLN A 56 8.583 21.237 -26.862 1.00 0.00 C ATOM 922 OE1 GLN A 56 7.584 21.129 -27.572 1.00 0.00 O ATOM 923 NE2 GLN A 56 9.758 20.718 -27.195 1.00 0.00 N ATOM 0 H GLN A 56 4.699 22.390 -25.692 1.00 0.00 H new ATOM 0 HA GLN A 56 6.734 21.171 -23.967 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.711 22.811 -26.319 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.440 23.754 -25.035 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.356 22.684 -25.489 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.650 21.274 -24.724 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.560 20.832 -26.575 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.859 20.205 -28.071 1.00 0.00 H new ATOM 932 N ASN A 57 6.615 22.674 -22.014 1.00 0.00 N ATOM 933 CA ASN A 57 6.482 23.483 -20.800 1.00 0.00 C ATOM 934 C ASN A 57 5.060 24.020 -20.637 1.00 0.00 C ATOM 935 O ASN A 57 4.862 25.178 -20.270 1.00 0.00 O ATOM 936 CB ASN A 57 7.485 24.645 -20.808 1.00 0.00 C ATOM 937 CG ASN A 57 7.838 25.117 -22.207 1.00 0.00 C ATOM 938 OD1 ASN A 57 7.309 26.118 -22.691 1.00 0.00 O ATOM 939 ND2 ASN A 57 8.740 24.396 -22.863 1.00 0.00 N ATOM 0 H ASN A 57 7.175 21.830 -21.894 1.00 0.00 H new ATOM 0 HA ASN A 57 6.699 22.834 -19.951 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.070 25.480 -20.243 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.395 24.335 -20.295 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.020 24.665 -23.806 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.153 23.573 -22.423 1.00 0.00 H new ATOM 946 N ALA A 58 4.077 23.166 -20.907 1.00 0.00 N ATOM 947 CA ALA A 58 2.675 23.550 -20.783 1.00 0.00 C ATOM 948 C ALA A 58 2.040 22.892 -19.564 1.00 0.00 C ATOM 949 O ALA A 58 2.387 21.766 -19.206 1.00 0.00 O ATOM 950 CB ALA A 58 1.909 23.180 -22.046 1.00 0.00 C ATOM 0 H ALA A 58 4.225 22.204 -21.213 1.00 0.00 H new ATOM 0 HA ALA A 58 2.627 24.631 -20.651 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.865 23.473 -21.937 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.344 23.698 -22.900 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.969 22.103 -22.206 1.00 0.00 H new ATOM 956 N HIS A 59 1.109 23.597 -18.931 1.00 0.00 N ATOM 957 CA HIS A 59 0.428 23.073 -17.750 1.00 0.00 C ATOM 958 C HIS A 59 -1.056 22.841 -18.027 1.00 0.00 C ATOM 959 O HIS A 59 -1.848 22.683 -17.097 1.00 0.00 O ATOM 960 CB HIS A 59 0.588 24.037 -16.574 1.00 0.00 C ATOM 961 CG HIS A 59 1.957 24.028 -15.965 1.00 0.00 C ATOM 962 ND1 HIS A 59 2.542 25.149 -15.416 1.00 0.00 N ATOM 963 CD2 HIS A 59 2.854 23.025 -15.812 1.00 0.00 C ATOM 964 CE1 HIS A 59 3.739 24.837 -14.954 1.00 0.00 C ATOM 965 NE2 HIS A 59 3.951 23.554 -15.180 1.00 0.00 N ATOM 0 H HIS A 59 0.808 24.530 -19.214 1.00 0.00 H new ATOM 0 HA HIS A 59 0.886 22.116 -17.498 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.357 25.048 -16.911 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.143 23.783 -15.806 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.729 22.000 -16.128 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.427 25.516 -14.473 1.00 0.00 H new ATOM 0 HE2 HIS A 59 4.794 23.039 -14.926 1.00 0.00 H new ATOM 974 N SER A 60 -1.431 22.821 -19.304 1.00 0.00 N ATOM 975 CA SER A 60 -2.823 22.608 -19.684 1.00 0.00 C ATOM 976 C SER A 60 -2.961 22.484 -21.197 1.00 0.00 C ATOM 977 O SER A 60 -2.178 23.058 -21.953 1.00 0.00 O ATOM 978 CB SER A 60 -3.693 23.760 -19.177 1.00 0.00 C ATOM 979 OG SER A 60 -3.420 24.956 -19.887 1.00 0.00 O ATOM 0 H SER A 60 -0.793 22.949 -20.089 1.00 0.00 H new ATOM 0 HA SER A 60 -3.159 21.677 -19.228 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.746 23.500 -19.287 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.512 23.915 -18.113 1.00 0.00 H new ATOM 0 HG SER A 60 -3.990 25.676 -19.546 1.00 0.00 H new ATOM 985 N MET A 61 -3.968 21.734 -21.633 1.00 0.00 N ATOM 986 CA MET A 61 -4.216 21.538 -23.052 1.00 0.00 C ATOM 987 C MET A 61 -5.617 22.035 -23.421 1.00 0.00 C ATOM 988 O MET A 61 -5.919 23.216 -23.245 1.00 0.00 O ATOM 989 CB MET A 61 -3.997 20.065 -23.424 1.00 0.00 C ATOM 990 CG MET A 61 -4.007 19.813 -24.920 1.00 0.00 C ATOM 991 SD MET A 61 -4.290 18.081 -25.326 1.00 0.00 S ATOM 992 CE MET A 61 -6.051 17.943 -25.028 1.00 0.00 C ATOM 0 H MET A 61 -4.626 21.252 -21.020 1.00 0.00 H new ATOM 0 HA MET A 61 -3.507 22.128 -23.633 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.044 19.732 -23.013 1.00 0.00 H new ATOM 0 HB3 MET A 61 -4.774 19.460 -22.956 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.783 20.423 -25.383 1.00 0.00 H new ATOM 0 HG3 MET A 61 -3.055 20.132 -25.345 1.00 0.00 H new ATOM 0 HE1 MET A 61 -6.432 17.043 -25.510 1.00 0.00 H new ATOM 0 HE2 MET A 61 -6.235 17.885 -23.955 1.00 0.00 H new ATOM 0 HE3 MET A 61 -6.559 18.817 -25.437 1.00 0.00 H new ATOM 1002 N ALA A 62 -6.468 21.155 -23.928 1.00 0.00 N ATOM 1003 CA ALA A 62 -7.817 21.535 -24.307 1.00 0.00 C ATOM 1004 C ALA A 62 -8.546 20.365 -24.952 1.00 0.00 C ATOM 1005 O ALA A 62 -8.763 20.354 -26.163 1.00 0.00 O ATOM 1006 CB ALA A 62 -7.790 22.728 -25.250 1.00 0.00 C ATOM 0 H ALA A 62 -6.246 20.172 -24.086 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.357 21.819 -23.404 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.810 22.999 -25.523 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.311 23.572 -24.755 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.230 22.469 -26.149 1.00 0.00 H new ATOM 1012 N LEU A 63 -8.922 19.379 -24.134 1.00 0.00 N ATOM 1013 CA LEU A 63 -9.632 18.194 -24.624 1.00 0.00 C ATOM 1014 C LEU A 63 -10.674 18.573 -25.674 1.00 0.00 C ATOM 1015 O LEU A 63 -11.783 18.990 -25.341 1.00 0.00 O ATOM 1016 CB LEU A 63 -10.307 17.460 -23.465 1.00 0.00 C ATOM 1017 CG LEU A 63 -9.358 16.934 -22.387 1.00 0.00 C ATOM 1018 CD1 LEU A 63 -10.047 16.912 -21.031 1.00 0.00 C ATOM 1019 CD2 LEU A 63 -8.856 15.548 -22.754 1.00 0.00 C ATOM 0 H LEU A 63 -8.747 19.377 -23.129 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.899 17.533 -25.088 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.024 18.134 -22.997 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.874 16.621 -23.868 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.502 17.606 -22.324 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.355 16.535 -20.278 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.358 17.922 -20.765 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.922 16.263 -21.078 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.182 15.188 -21.977 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.702 14.867 -22.845 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.323 15.594 -23.704 1.00 0.00 H new ATOM 1031 N PRO A 64 -10.318 18.452 -26.963 1.00 0.00 N ATOM 1032 CA PRO A 64 -11.201 18.799 -28.065 1.00 0.00 C ATOM 1033 C PRO A 64 -12.011 17.614 -28.579 1.00 0.00 C ATOM 1034 O PRO A 64 -13.242 17.651 -28.591 1.00 0.00 O ATOM 1035 CB PRO A 64 -10.217 19.281 -29.131 1.00 0.00 C ATOM 1036 CG PRO A 64 -8.922 18.577 -28.843 1.00 0.00 C ATOM 1037 CD PRO A 64 -9.016 17.984 -27.456 1.00 0.00 C ATOM 0 HA PRO A 64 -11.954 19.532 -27.776 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.577 19.042 -30.132 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -10.092 20.363 -29.087 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.740 17.796 -29.581 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.086 19.274 -28.904 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.966 16.895 -27.482 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.200 18.326 -26.819 1.00 0.00 H new ATOM 1045 N ALA A 65 -11.317 16.570 -29.014 1.00 0.00 N ATOM 1046 CA ALA A 65 -11.978 15.384 -29.544 1.00 0.00 C ATOM 1047 C ALA A 65 -12.452 14.449 -28.435 1.00 0.00 C ATOM 1048 O ALA A 65 -11.826 13.425 -28.165 1.00 0.00 O ATOM 1049 CB ALA A 65 -11.047 14.644 -30.493 1.00 0.00 C ATOM 0 H ALA A 65 -10.298 16.520 -29.010 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.861 15.718 -30.090 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.552 13.760 -30.882 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.774 15.300 -31.320 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.147 14.341 -29.958 1.00 0.00 H new ATOM 1055 N LEU A 66 -13.574 14.795 -27.809 1.00 0.00 N ATOM 1056 CA LEU A 66 -14.137 13.965 -26.749 1.00 0.00 C ATOM 1057 C LEU A 66 -15.504 13.429 -27.171 1.00 0.00 C ATOM 1058 O LEU A 66 -15.895 13.560 -28.331 1.00 0.00 O ATOM 1059 CB LEU A 66 -14.258 14.747 -25.434 1.00 0.00 C ATOM 1060 CG LEU A 66 -12.983 15.456 -24.940 1.00 0.00 C ATOM 1061 CD1 LEU A 66 -13.001 15.567 -23.419 1.00 0.00 C ATOM 1062 CD2 LEU A 66 -11.723 14.731 -25.403 1.00 0.00 C ATOM 0 H LEU A 66 -14.108 15.639 -28.016 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.460 13.127 -26.581 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.041 15.496 -25.552 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.590 14.059 -24.656 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.967 16.456 -25.373 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.095 16.070 -23.080 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.873 16.141 -23.106 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -13.047 14.570 -22.982 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.843 15.260 -25.036 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.724 13.713 -25.012 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.700 14.701 -26.492 1.00 0.00 H new ATOM 1074 N GLU A 67 -16.227 12.822 -26.235 1.00 0.00 N ATOM 1075 CA GLU A 67 -17.544 12.269 -26.539 1.00 0.00 C ATOM 1076 C GLU A 67 -18.552 12.584 -25.434 1.00 0.00 C ATOM 1077 O GLU A 67 -18.226 12.527 -24.248 1.00 0.00 O ATOM 1078 CB GLU A 67 -17.449 10.756 -26.740 1.00 0.00 C ATOM 1079 CG GLU A 67 -17.473 10.334 -28.200 1.00 0.00 C ATOM 1080 CD GLU A 67 -16.503 9.208 -28.498 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -15.278 9.445 -28.429 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -16.967 8.088 -28.799 1.00 0.00 O ATOM 0 H GLU A 67 -15.927 12.701 -25.268 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.895 12.735 -27.460 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.529 10.394 -26.281 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.277 10.276 -26.218 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.482 10.019 -28.467 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.231 11.192 -28.826 1.00 0.00 H new ATOM 1089 N PRO A 68 -19.799 12.919 -25.814 1.00 0.00 N ATOM 1090 CA PRO A 68 -20.860 13.243 -24.858 1.00 0.00 C ATOM 1091 C PRO A 68 -21.481 11.997 -24.232 1.00 0.00 C ATOM 1092 O PRO A 68 -21.608 10.960 -24.885 1.00 0.00 O ATOM 1093 CB PRO A 68 -21.885 13.976 -25.716 1.00 0.00 C ATOM 1094 CG PRO A 68 -21.724 13.391 -27.076 1.00 0.00 C ATOM 1095 CD PRO A 68 -20.271 13.013 -27.209 1.00 0.00 C ATOM 0 HA PRO A 68 -20.489 13.826 -24.015 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -22.897 13.828 -25.338 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -21.701 15.050 -25.722 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -22.365 12.518 -27.202 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -22.010 14.110 -27.844 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -20.151 12.066 -27.736 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -19.713 13.763 -27.770 1.00 0.00 H new ATOM 1103 N SER A 69 -21.868 12.106 -22.965 1.00 0.00 N ATOM 1104 CA SER A 69 -22.478 10.988 -22.252 1.00 0.00 C ATOM 1105 C SER A 69 -21.516 9.808 -22.166 1.00 0.00 C ATOM 1106 O SER A 69 -21.923 8.651 -22.270 1.00 0.00 O ATOM 1107 CB SER A 69 -23.773 10.556 -22.945 1.00 0.00 C ATOM 1108 OG SER A 69 -24.644 9.904 -22.038 1.00 0.00 O ATOM 0 H SER A 69 -21.770 12.957 -22.411 1.00 0.00 H new ATOM 0 HA SER A 69 -22.710 11.320 -21.240 1.00 0.00 H new ATOM 0 HB2 SER A 69 -24.271 11.428 -23.369 1.00 0.00 H new ATOM 0 HB3 SER A 69 -23.540 9.888 -23.774 1.00 0.00 H new ATOM 0 HG SER A 69 -24.180 9.145 -21.627 1.00 0.00 H new ATOM 1114 N THR A 70 -20.237 10.110 -21.976 1.00 0.00 N ATOM 1115 CA THR A 70 -19.212 9.078 -21.877 1.00 0.00 C ATOM 1116 C THR A 70 -18.094 9.519 -20.940 1.00 0.00 C ATOM 1117 O THR A 70 -17.806 10.709 -20.820 1.00 0.00 O ATOM 1118 CB THR A 70 -18.640 8.766 -23.262 1.00 0.00 C ATOM 1119 OG1 THR A 70 -19.633 8.200 -24.099 1.00 0.00 O ATOM 1120 CG2 THR A 70 -17.468 7.808 -23.228 1.00 0.00 C ATOM 0 H THR A 70 -19.885 11.063 -21.887 1.00 0.00 H new ATOM 0 HA THR A 70 -19.671 8.177 -21.470 1.00 0.00 H new ATOM 0 HB THR A 70 -18.293 9.723 -23.651 1.00 0.00 H new ATOM 0 HG1 THR A 70 -19.248 8.009 -24.980 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.113 7.631 -24.243 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.663 8.238 -22.632 1.00 0.00 H new ATOM 0 HG23 THR A 70 -17.783 6.863 -22.784 1.00 0.00 H new ATOM 1128 N ARG A 71 -17.462 8.555 -20.281 1.00 0.00 N ATOM 1129 CA ARG A 71 -16.372 8.852 -19.360 1.00 0.00 C ATOM 1130 C ARG A 71 -15.082 9.092 -20.130 1.00 0.00 C ATOM 1131 O ARG A 71 -14.944 8.660 -21.274 1.00 0.00 O ATOM 1132 CB ARG A 71 -16.178 7.703 -18.369 1.00 0.00 C ATOM 1133 CG ARG A 71 -16.634 8.034 -16.958 1.00 0.00 C ATOM 1134 CD ARG A 71 -16.701 6.790 -16.088 1.00 0.00 C ATOM 1135 NE ARG A 71 -15.851 6.902 -14.906 1.00 0.00 N ATOM 1136 CZ ARG A 71 -15.982 6.133 -13.830 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -16.921 5.198 -13.792 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -15.173 6.296 -12.792 1.00 0.00 N ATOM 0 H ARG A 71 -17.685 7.563 -20.367 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.629 9.754 -18.805 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -16.727 6.831 -18.724 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.124 7.428 -18.346 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.948 8.754 -16.512 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -17.615 8.508 -16.993 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -17.732 6.620 -15.778 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -16.396 5.922 -16.673 1.00 0.00 H new ATOM 0 HE ARG A 71 -15.116 7.609 -14.906 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -17.544 5.068 -14.589 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -17.021 4.608 -12.966 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -14.448 7.013 -12.818 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -15.276 5.704 -11.967 1.00 0.00 H new ATOM 1152 N TYR A 72 -14.138 9.785 -19.505 1.00 0.00 N ATOM 1153 CA TYR A 72 -12.866 10.075 -20.150 1.00 0.00 C ATOM 1154 C TYR A 72 -11.709 10.003 -19.164 1.00 0.00 C ATOM 1155 O TYR A 72 -11.697 10.691 -18.145 1.00 0.00 O ATOM 1156 CB TYR A 72 -12.908 11.446 -20.822 1.00 0.00 C ATOM 1157 CG TYR A 72 -13.193 11.365 -22.303 1.00 0.00 C ATOM 1158 CD1 TYR A 72 -14.457 11.023 -22.766 1.00 0.00 C ATOM 1159 CD2 TYR A 72 -12.196 11.610 -23.236 1.00 0.00 C ATOM 1160 CE1 TYR A 72 -14.718 10.924 -24.119 1.00 0.00 C ATOM 1161 CE2 TYR A 72 -12.451 11.519 -24.591 1.00 0.00 C ATOM 1162 CZ TYR A 72 -13.714 11.174 -25.027 1.00 0.00 C ATOM 1163 OH TYR A 72 -13.972 11.067 -26.373 1.00 0.00 O ATOM 0 H TYR A 72 -14.229 10.154 -18.558 1.00 0.00 H new ATOM 0 HA TYR A 72 -12.701 9.313 -20.912 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -13.673 12.057 -20.343 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -11.954 11.950 -20.668 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -15.249 10.831 -22.057 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -11.205 11.876 -22.898 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -15.705 10.652 -24.463 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -11.666 11.717 -25.305 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.137 11.173 -26.876 1.00 0.00 H new ATOM 1173 N TRP A 73 -10.735 9.161 -19.486 1.00 0.00 N ATOM 1174 CA TRP A 73 -9.561 8.984 -18.644 1.00 0.00 C ATOM 1175 C TRP A 73 -8.338 9.614 -19.302 1.00 0.00 C ATOM 1176 O TRP A 73 -7.936 9.215 -20.395 1.00 0.00 O ATOM 1177 CB TRP A 73 -9.318 7.496 -18.394 1.00 0.00 C ATOM 1178 CG TRP A 73 -10.415 6.840 -17.615 1.00 0.00 C ATOM 1179 CD1 TRP A 73 -11.661 6.503 -18.069 1.00 0.00 C ATOM 1180 CD2 TRP A 73 -10.366 6.445 -16.239 1.00 0.00 C ATOM 1181 NE1 TRP A 73 -12.384 5.918 -17.056 1.00 0.00 N ATOM 1182 CE2 TRP A 73 -11.612 5.871 -15.925 1.00 0.00 C ATOM 1183 CE3 TRP A 73 -9.388 6.519 -15.244 1.00 0.00 C ATOM 1184 CZ2 TRP A 73 -11.904 5.375 -14.657 1.00 0.00 C ATOM 1185 CZ3 TRP A 73 -9.679 6.027 -13.986 1.00 0.00 C ATOM 1186 CH2 TRP A 73 -10.928 5.460 -13.702 1.00 0.00 C ATOM 0 H TRP A 73 -10.736 8.587 -20.329 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.735 9.479 -17.689 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.207 6.987 -19.352 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -8.377 7.374 -17.857 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -12.023 6.671 -19.073 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -13.341 5.574 -17.134 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.422 6.953 -15.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -12.867 4.939 -14.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -8.931 6.081 -13.209 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -11.124 5.082 -12.709 1.00 0.00 H new ATOM 1197 N ALA A 74 -7.756 10.607 -18.638 1.00 0.00 N ATOM 1198 CA ALA A 74 -6.586 11.292 -19.173 1.00 0.00 C ATOM 1199 C ALA A 74 -5.376 11.132 -18.262 1.00 0.00 C ATOM 1200 O ALA A 74 -5.511 10.855 -17.071 1.00 0.00 O ATOM 1201 CB ALA A 74 -6.894 12.767 -19.397 1.00 0.00 C ATOM 0 H ALA A 74 -8.074 10.954 -17.733 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.340 10.832 -20.130 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.011 13.266 -19.797 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.717 12.863 -20.105 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.174 13.228 -18.450 1.00 0.00 H new ATOM 1207 N ARG A 75 -4.194 11.312 -18.840 1.00 0.00 N ATOM 1208 CA ARG A 75 -2.946 11.194 -18.098 1.00 0.00 C ATOM 1209 C ARG A 75 -1.897 12.131 -18.686 1.00 0.00 C ATOM 1210 O ARG A 75 -2.112 12.722 -19.749 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.447 9.748 -18.124 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.618 9.070 -19.473 1.00 0.00 C ATOM 1213 CD ARG A 75 -1.701 7.866 -19.610 1.00 0.00 C ATOM 1214 NE ARG A 75 -2.436 6.610 -19.745 1.00 0.00 N ATOM 1215 CZ ARG A 75 -2.870 5.893 -18.713 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -2.703 6.337 -17.474 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -3.479 4.735 -18.919 1.00 0.00 N ATOM 0 H ARG A 75 -4.075 11.542 -19.827 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.125 11.478 -17.061 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.392 9.731 -17.849 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.982 9.174 -17.368 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.654 8.755 -19.595 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.406 9.783 -20.270 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.058 8.001 -20.480 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.050 7.809 -18.738 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.627 6.264 -20.685 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.240 7.231 -17.311 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.037 5.784 -16.685 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.615 4.393 -19.870 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.812 4.186 -18.127 1.00 0.00 H new ATOM 1231 N VAL A 76 -0.765 12.275 -17.999 1.00 0.00 N ATOM 1232 CA VAL A 76 0.293 13.159 -18.475 1.00 0.00 C ATOM 1233 C VAL A 76 1.685 12.657 -18.094 1.00 0.00 C ATOM 1234 O VAL A 76 1.934 12.289 -16.945 1.00 0.00 O ATOM 1235 CB VAL A 76 0.108 14.590 -17.927 1.00 0.00 C ATOM 1236 CG1 VAL A 76 0.432 14.653 -16.440 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.968 15.572 -18.704 1.00 0.00 C ATOM 0 H VAL A 76 -0.560 11.797 -17.122 1.00 0.00 H new ATOM 0 HA VAL A 76 0.216 13.168 -19.562 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.938 14.869 -18.055 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.293 15.673 -16.080 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.232 13.982 -15.894 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.467 14.349 -16.280 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.825 16.576 -18.304 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.017 15.290 -18.611 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.680 15.555 -19.755 1.00 0.00 H new ATOM 1247 N ARG A 77 2.593 12.667 -19.067 1.00 0.00 N ATOM 1248 CA ARG A 77 3.970 12.236 -18.836 1.00 0.00 C ATOM 1249 C ARG A 77 4.888 13.445 -18.669 1.00 0.00 C ATOM 1250 O ARG A 77 4.848 14.377 -19.470 1.00 0.00 O ATOM 1251 CB ARG A 77 4.471 11.373 -19.997 1.00 0.00 C ATOM 1252 CG ARG A 77 3.795 10.017 -20.094 1.00 0.00 C ATOM 1253 CD ARG A 77 4.375 9.181 -21.225 1.00 0.00 C ATOM 1254 NE ARG A 77 4.754 7.842 -20.780 1.00 0.00 N ATOM 1255 CZ ARG A 77 5.535 7.025 -21.483 1.00 0.00 C ATOM 1256 NH1 ARG A 77 6.020 7.410 -22.656 1.00 0.00 N ATOM 1257 NH2 ARG A 77 5.832 5.821 -21.012 1.00 0.00 N ATOM 0 H ARG A 77 2.401 12.969 -20.022 1.00 0.00 H new ATOM 0 HA ARG A 77 3.986 11.643 -17.921 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.316 11.913 -20.931 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.546 11.225 -19.889 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.911 9.484 -19.150 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.725 10.154 -20.254 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.643 9.102 -22.029 1.00 0.00 H new ATOM 0 HD3 ARG A 77 5.248 9.686 -21.638 1.00 0.00 H new ATOM 0 HE ARG A 77 4.401 7.515 -19.881 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.795 8.335 -23.022 1.00 0.00 H new ATOM 0 HH12 ARG A 77 6.618 6.781 -23.192 1.00 0.00 H new ATOM 0 HH21 ARG A 77 5.462 5.521 -20.110 1.00 0.00 H new ATOM 0 HH22 ARG A 77 6.431 5.196 -21.552 1.00 0.00 H new ATOM 1271 N VAL A 78 5.716 13.421 -17.626 1.00 0.00 N ATOM 1272 CA VAL A 78 6.652 14.513 -17.359 1.00 0.00 C ATOM 1273 C VAL A 78 8.066 13.980 -17.139 1.00 0.00 C ATOM 1274 O VAL A 78 8.298 13.175 -16.237 1.00 0.00 O ATOM 1275 CB VAL A 78 6.235 15.330 -16.119 1.00 0.00 C ATOM 1276 CG1 VAL A 78 6.358 14.487 -14.856 1.00 0.00 C ATOM 1277 CG2 VAL A 78 7.075 16.596 -16.012 1.00 0.00 C ATOM 0 H VAL A 78 5.758 12.657 -16.951 1.00 0.00 H new ATOM 0 HA VAL A 78 6.634 15.161 -18.235 1.00 0.00 H new ATOM 0 HB VAL A 78 5.190 15.621 -16.229 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.060 15.081 -13.992 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.711 13.613 -14.937 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.392 14.163 -14.734 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.769 17.162 -15.132 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.128 16.328 -15.923 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.930 17.205 -16.904 1.00 0.00 H new ATOM 1287 N ARG A 79 9.011 14.429 -17.959 1.00 0.00 N ATOM 1288 CA ARG A 79 10.395 13.985 -17.831 1.00 0.00 C ATOM 1289 C ARG A 79 11.337 15.185 -17.635 1.00 0.00 C ATOM 1290 O ARG A 79 11.212 15.904 -16.648 1.00 0.00 O ATOM 1291 CB ARG A 79 10.790 13.130 -19.049 1.00 0.00 C ATOM 1292 CG ARG A 79 12.130 12.399 -18.920 1.00 0.00 C ATOM 1293 CD ARG A 79 12.523 12.133 -17.470 1.00 0.00 C ATOM 1294 NE ARG A 79 13.661 11.223 -17.366 1.00 0.00 N ATOM 1295 CZ ARG A 79 14.894 11.528 -17.761 1.00 0.00 C ATOM 1296 NH1 ARG A 79 15.164 12.734 -18.241 1.00 0.00 N ATOM 1297 NH2 ARG A 79 15.864 10.629 -17.661 1.00 0.00 N ATOM 0 H ARG A 79 8.846 15.095 -18.714 1.00 0.00 H new ATOM 0 HA ARG A 79 10.489 13.360 -16.943 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.007 12.393 -19.226 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.827 13.773 -19.928 1.00 0.00 H new ATOM 0 HG2 ARG A 79 12.074 11.451 -19.456 1.00 0.00 H new ATOM 0 HG3 ARG A 79 12.909 12.991 -19.400 1.00 0.00 H new ATOM 0 HD2 ARG A 79 12.769 13.077 -16.983 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.672 11.711 -16.936 1.00 0.00 H new ATOM 0 HE ARG A 79 13.500 10.298 -16.967 1.00 0.00 H new ATOM 0 HH11 ARG A 79 14.424 13.433 -18.309 1.00 0.00 H new ATOM 0 HH12 ARG A 79 16.111 12.963 -18.542 1.00 0.00 H new ATOM 0 HH21 ARG A 79 15.665 9.704 -17.281 1.00 0.00 H new ATOM 0 HH22 ARG A 79 16.809 10.863 -17.964 1.00 0.00 H new ATOM 1311 N THR A 80 12.270 15.410 -18.563 1.00 0.00 N ATOM 1312 CA THR A 80 13.198 16.529 -18.457 1.00 0.00 C ATOM 1313 C THR A 80 13.797 16.843 -19.819 1.00 0.00 C ATOM 1314 O THR A 80 14.732 16.175 -20.263 1.00 0.00 O ATOM 1315 CB THR A 80 14.317 16.219 -17.460 1.00 0.00 C ATOM 1316 OG1 THR A 80 15.200 15.243 -17.985 1.00 0.00 O ATOM 1317 CG2 THR A 80 13.818 15.714 -16.125 1.00 0.00 C ATOM 0 H THR A 80 12.400 14.831 -19.393 1.00 0.00 H new ATOM 0 HA THR A 80 12.644 17.396 -18.097 1.00 0.00 H new ATOM 0 HB THR A 80 14.825 17.170 -17.299 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.130 15.231 -18.962 1.00 0.00 H new ATOM 0 HG21 THR A 80 14.667 15.516 -15.471 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.176 16.467 -15.668 1.00 0.00 H new ATOM 0 HG23 THR A 80 13.251 14.795 -16.273 1.00 0.00 H new ATOM 1325 N SER A 81 13.259 17.858 -20.483 1.00 0.00 N ATOM 1326 CA SER A 81 13.752 18.245 -21.798 1.00 0.00 C ATOM 1327 C SER A 81 15.141 18.862 -21.691 1.00 0.00 C ATOM 1328 O SER A 81 15.340 20.031 -22.020 1.00 0.00 O ATOM 1329 CB SER A 81 12.792 19.227 -22.475 1.00 0.00 C ATOM 1330 OG SER A 81 11.452 18.769 -22.409 1.00 0.00 O ATOM 0 H SER A 81 12.486 18.425 -20.135 1.00 0.00 H new ATOM 0 HA SER A 81 13.814 17.345 -22.410 1.00 0.00 H new ATOM 0 HB2 SER A 81 12.869 20.203 -21.995 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.081 19.361 -23.517 1.00 0.00 H new ATOM 0 HG SER A 81 10.919 19.217 -23.099 1.00 0.00 H new ATOM 1336 N ARG A 82 16.102 18.065 -21.233 1.00 0.00 N ATOM 1337 CA ARG A 82 17.472 18.531 -21.089 1.00 0.00 C ATOM 1338 C ARG A 82 18.136 18.648 -22.454 1.00 0.00 C ATOM 1339 O ARG A 82 18.169 17.688 -23.224 1.00 0.00 O ATOM 1340 CB ARG A 82 18.267 17.576 -20.195 1.00 0.00 C ATOM 1341 CG ARG A 82 18.095 17.851 -18.708 1.00 0.00 C ATOM 1342 CD ARG A 82 18.751 16.774 -17.859 1.00 0.00 C ATOM 1343 NE ARG A 82 19.988 16.278 -18.456 1.00 0.00 N ATOM 1344 CZ ARG A 82 21.153 16.913 -18.374 1.00 0.00 C ATOM 1345 NH1 ARG A 82 21.238 18.063 -17.719 1.00 0.00 N ATOM 1346 NH2 ARG A 82 22.233 16.399 -18.946 1.00 0.00 N ATOM 0 H ARG A 82 15.955 17.094 -20.956 1.00 0.00 H new ATOM 0 HA ARG A 82 17.457 19.516 -20.622 1.00 0.00 H new ATOM 0 HB2 ARG A 82 17.958 16.552 -20.405 1.00 0.00 H new ATOM 0 HB3 ARG A 82 19.324 17.648 -20.450 1.00 0.00 H new ATOM 0 HG2 ARG A 82 18.528 18.821 -18.465 1.00 0.00 H new ATOM 0 HG3 ARG A 82 17.033 17.907 -18.468 1.00 0.00 H new ATOM 0 HD2 ARG A 82 18.963 17.174 -16.868 1.00 0.00 H new ATOM 0 HD3 ARG A 82 18.056 15.945 -17.726 1.00 0.00 H new ATOM 0 HE ARG A 82 19.956 15.394 -18.965 1.00 0.00 H new ATOM 0 HH11 ARG A 82 20.409 18.461 -17.278 1.00 0.00 H new ATOM 0 HH12 ARG A 82 22.132 18.549 -17.657 1.00 0.00 H new ATOM 0 HH21 ARG A 82 22.171 15.515 -19.450 1.00 0.00 H new ATOM 0 HH22 ARG A 82 23.126 16.888 -18.882 1.00 0.00 H new ATOM 1360 N THR A 83 18.657 19.831 -22.753 1.00 0.00 N ATOM 1361 CA THR A 83 19.315 20.078 -24.033 1.00 0.00 C ATOM 1362 C THR A 83 20.300 18.964 -24.365 1.00 0.00 C ATOM 1363 O THR A 83 21.366 18.859 -23.758 1.00 0.00 O ATOM 1364 CB THR A 83 20.028 21.426 -24.006 1.00 0.00 C ATOM 1365 OG1 THR A 83 21.236 21.344 -23.269 1.00 0.00 O ATOM 1366 CG2 THR A 83 19.186 22.522 -23.393 1.00 0.00 C ATOM 0 H THR A 83 18.638 20.636 -22.127 1.00 0.00 H new ATOM 0 HA THR A 83 18.552 20.097 -24.811 1.00 0.00 H new ATOM 0 HB THR A 83 20.226 21.675 -25.049 1.00 0.00 H new ATOM 0 HG1 THR A 83 21.370 20.423 -22.961 1.00 0.00 H new ATOM 0 HG21 THR A 83 19.745 23.458 -23.401 1.00 0.00 H new ATOM 0 HG22 THR A 83 18.269 22.642 -23.970 1.00 0.00 H new ATOM 0 HG23 THR A 83 18.936 22.257 -22.366 1.00 0.00 H new ATOM 1374 N GLY A 84 19.930 18.132 -25.330 1.00 0.00 N ATOM 1375 CA GLY A 84 20.783 17.030 -25.726 1.00 0.00 C ATOM 1376 C GLY A 84 20.250 15.689 -25.260 1.00 0.00 C ATOM 1377 O GLY A 84 20.694 14.642 -25.732 1.00 0.00 O ATOM 0 H GLY A 84 19.053 18.201 -25.846 1.00 0.00 H new ATOM 0 HA2 GLY A 84 20.880 17.022 -26.812 1.00 0.00 H new ATOM 0 HA3 GLY A 84 21.782 17.183 -25.317 1.00 0.00 H new ATOM 1381 N TYR A 85 19.300 15.716 -24.327 1.00 0.00 N ATOM 1382 CA TYR A 85 18.717 14.486 -23.800 1.00 0.00 C ATOM 1383 C TYR A 85 17.864 13.785 -24.860 1.00 0.00 C ATOM 1384 O TYR A 85 17.608 14.345 -25.924 1.00 0.00 O ATOM 1385 CB TYR A 85 17.891 14.788 -22.530 1.00 0.00 C ATOM 1386 CG TYR A 85 16.385 14.853 -22.732 1.00 0.00 C ATOM 1387 CD1 TYR A 85 15.836 15.578 -23.783 1.00 0.00 C ATOM 1388 CD2 TYR A 85 15.521 14.181 -21.877 1.00 0.00 C ATOM 1389 CE1 TYR A 85 14.467 15.634 -23.974 1.00 0.00 C ATOM 1390 CE2 TYR A 85 14.152 14.230 -22.062 1.00 0.00 C ATOM 1391 CZ TYR A 85 13.631 14.957 -23.112 1.00 0.00 C ATOM 1392 OH TYR A 85 12.269 15.009 -23.299 1.00 0.00 O ATOM 0 H TYR A 85 18.920 16.572 -23.923 1.00 0.00 H new ATOM 0 HA TYR A 85 19.526 13.808 -23.529 1.00 0.00 H new ATOM 0 HB2 TYR A 85 18.108 14.022 -21.785 1.00 0.00 H new ATOM 0 HB3 TYR A 85 18.227 15.739 -22.116 1.00 0.00 H new ATOM 0 HD1 TYR A 85 16.489 16.106 -24.462 1.00 0.00 H new ATOM 0 HD2 TYR A 85 15.926 13.611 -21.054 1.00 0.00 H new ATOM 0 HE1 TYR A 85 14.056 16.205 -24.793 1.00 0.00 H new ATOM 0 HE2 TYR A 85 13.494 13.702 -21.388 1.00 0.00 H new ATOM 0 HH TYR A 85 11.823 14.478 -22.607 1.00 0.00 H new ATOM 1402 N ASN A 86 17.417 12.566 -24.529 1.00 0.00 N ATOM 1403 CA ASN A 86 16.567 11.744 -25.399 1.00 0.00 C ATOM 1404 C ASN A 86 16.808 10.259 -25.143 1.00 0.00 C ATOM 1405 O ASN A 86 17.869 9.867 -24.657 1.00 0.00 O ATOM 1406 CB ASN A 86 16.783 12.051 -26.885 1.00 0.00 C ATOM 1407 CG ASN A 86 15.800 13.085 -27.392 1.00 0.00 C ATOM 1408 OD1 ASN A 86 16.180 14.039 -28.071 1.00 0.00 O ATOM 1409 ND2 ASN A 86 14.526 12.902 -27.063 1.00 0.00 N ATOM 0 H ASN A 86 17.638 12.119 -23.640 1.00 0.00 H new ATOM 0 HA ASN A 86 15.535 11.994 -25.153 1.00 0.00 H new ATOM 0 HB2 ASN A 86 17.801 12.410 -27.038 1.00 0.00 H new ATOM 0 HB3 ASN A 86 16.678 11.134 -27.465 1.00 0.00 H new ATOM 0 HD21 ASN A 86 13.818 13.567 -27.375 1.00 0.00 H new ATOM 0 HD22 ASN A 86 14.256 12.097 -26.498 1.00 0.00 H new ATOM 1416 N GLY A 87 15.812 9.442 -25.470 1.00 0.00 N ATOM 1417 CA GLY A 87 15.925 8.009 -25.267 1.00 0.00 C ATOM 1418 C GLY A 87 15.197 7.540 -24.020 1.00 0.00 C ATOM 1419 O GLY A 87 15.441 6.436 -23.531 1.00 0.00 O ATOM 0 H GLY A 87 14.926 9.748 -25.873 1.00 0.00 H new ATOM 0 HA2 GLY A 87 15.522 7.489 -26.136 1.00 0.00 H new ATOM 0 HA3 GLY A 87 16.978 7.738 -25.193 1.00 0.00 H new ATOM 1423 N ILE A 88 14.302 8.377 -23.503 1.00 0.00 N ATOM 1424 CA ILE A 88 13.540 8.041 -22.308 1.00 0.00 C ATOM 1425 C ILE A 88 12.209 8.775 -22.289 1.00 0.00 C ATOM 1426 O ILE A 88 11.790 9.325 -23.293 1.00 0.00 O ATOM 1427 CB ILE A 88 14.330 8.386 -21.026 1.00 0.00 C ATOM 1428 CG1 ILE A 88 14.290 9.897 -20.760 1.00 0.00 C ATOM 1429 CG2 ILE A 88 15.767 7.903 -21.143 1.00 0.00 C ATOM 1430 CD1 ILE A 88 14.730 10.728 -21.945 1.00 0.00 C ATOM 0 H ILE A 88 14.088 9.294 -23.895 1.00 0.00 H new ATOM 0 HA ILE A 88 13.358 6.967 -22.333 1.00 0.00 H new ATOM 0 HB ILE A 88 13.862 7.877 -20.184 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.275 10.183 -20.482 1.00 0.00 H new ATOM 0 HG13 ILE A 88 14.930 10.125 -19.908 1.00 0.00 H new ATOM 0 HG21 ILE A 88 16.310 8.154 -20.232 1.00 0.00 H new ATOM 0 HG22 ILE A 88 15.777 6.822 -21.286 1.00 0.00 H new ATOM 0 HG23 ILE A 88 16.245 8.386 -21.995 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.677 11.786 -21.687 1.00 0.00 H new ATOM 0 HD12 ILE A 88 15.755 10.470 -22.210 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.075 10.528 -22.793 1.00 0.00 H new ATOM 1442 N TRP A 89 11.563 8.793 -21.124 1.00 0.00 N ATOM 1443 CA TRP A 89 10.284 9.478 -20.957 1.00 0.00 C ATOM 1444 C TRP A 89 9.604 9.044 -19.661 1.00 0.00 C ATOM 1445 O TRP A 89 9.719 7.893 -19.243 1.00 0.00 O ATOM 1446 CB TRP A 89 9.361 9.218 -22.150 1.00 0.00 C ATOM 1447 CG TRP A 89 9.122 10.438 -22.990 1.00 0.00 C ATOM 1448 CD1 TRP A 89 9.734 10.755 -24.169 1.00 0.00 C ATOM 1449 CD2 TRP A 89 8.207 11.504 -22.716 1.00 0.00 C ATOM 1450 NE1 TRP A 89 9.261 11.956 -24.639 1.00 0.00 N ATOM 1451 CE2 TRP A 89 8.320 12.434 -23.767 1.00 0.00 C ATOM 1452 CE3 TRP A 89 7.304 11.761 -21.683 1.00 0.00 C ATOM 1453 CZ2 TRP A 89 7.562 13.601 -23.813 1.00 0.00 C ATOM 1454 CZ3 TRP A 89 6.551 12.920 -21.731 1.00 0.00 C ATOM 1455 CH2 TRP A 89 6.684 13.828 -22.789 1.00 0.00 C ATOM 0 H TRP A 89 11.907 8.338 -20.278 1.00 0.00 H new ATOM 0 HA TRP A 89 10.484 10.548 -20.905 1.00 0.00 H new ATOM 0 HB2 TRP A 89 9.795 8.435 -22.773 1.00 0.00 H new ATOM 0 HB3 TRP A 89 8.405 8.842 -21.786 1.00 0.00 H new ATOM 0 HD1 TRP A 89 10.481 10.150 -24.660 1.00 0.00 H new ATOM 0 HE1 TRP A 89 9.562 12.417 -25.498 1.00 0.00 H new ATOM 0 HE3 TRP A 89 7.195 11.068 -20.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 7.664 14.302 -24.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.848 13.129 -20.938 1.00 0.00 H new ATOM 0 HH2 TRP A 89 6.082 14.725 -22.796 1.00 0.00 H new ATOM 1466 N SER A 90 8.903 9.979 -19.030 1.00 0.00 N ATOM 1467 CA SER A 90 8.207 9.709 -17.777 1.00 0.00 C ATOM 1468 C SER A 90 7.383 8.428 -17.861 1.00 0.00 C ATOM 1469 O SER A 90 7.174 7.880 -18.943 1.00 0.00 O ATOM 1470 CB SER A 90 7.305 10.892 -17.417 1.00 0.00 C ATOM 1471 OG SER A 90 5.947 10.634 -17.739 1.00 0.00 O ATOM 0 H SER A 90 8.801 10.936 -19.368 1.00 0.00 H new ATOM 0 HA SER A 90 8.956 9.573 -16.997 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.392 11.105 -16.352 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.642 11.782 -17.949 1.00 0.00 H new ATOM 0 HG SER A 90 5.464 10.367 -16.929 1.00 0.00 H new ATOM 1477 N GLU A 91 6.904 7.969 -16.710 1.00 0.00 N ATOM 1478 CA GLU A 91 6.088 6.765 -16.648 1.00 0.00 C ATOM 1479 C GLU A 91 4.668 7.071 -17.105 1.00 0.00 C ATOM 1480 O GLU A 91 4.281 6.730 -18.221 1.00 0.00 O ATOM 1481 CB GLU A 91 6.072 6.205 -15.225 1.00 0.00 C ATOM 1482 CG GLU A 91 7.230 5.266 -14.929 1.00 0.00 C ATOM 1483 CD GLU A 91 6.827 4.104 -14.044 1.00 0.00 C ATOM 1484 OE1 GLU A 91 6.009 4.314 -13.123 1.00 0.00 O ATOM 1485 OE2 GLU A 91 7.330 2.983 -14.269 1.00 0.00 O ATOM 0 H GLU A 91 7.068 8.414 -15.807 1.00 0.00 H new ATOM 0 HA GLU A 91 6.520 6.017 -17.312 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.096 7.033 -14.517 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.134 5.674 -15.063 1.00 0.00 H new ATOM 0 HG2 GLU A 91 7.630 4.882 -15.867 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.032 5.825 -14.446 1.00 0.00 H new ATOM 1492 N TRP A 92 3.901 7.727 -16.235 1.00 0.00 N ATOM 1493 CA TRP A 92 2.519 8.099 -16.537 1.00 0.00 C ATOM 1494 C TRP A 92 1.793 8.541 -15.270 1.00 0.00 C ATOM 1495 O TRP A 92 1.693 7.782 -14.306 1.00 0.00 O ATOM 1496 CB TRP A 92 1.767 6.931 -17.182 1.00 0.00 C ATOM 1497 CG TRP A 92 1.692 7.019 -18.677 1.00 0.00 C ATOM 1498 CD1 TRP A 92 2.059 6.054 -19.569 1.00 0.00 C ATOM 1499 CD2 TRP A 92 1.226 8.129 -19.455 1.00 0.00 C ATOM 1500 NE1 TRP A 92 1.847 6.491 -20.854 1.00 0.00 N ATOM 1501 CE2 TRP A 92 1.335 7.761 -20.811 1.00 0.00 C ATOM 1502 CE3 TRP A 92 0.723 9.396 -19.140 1.00 0.00 C ATOM 1503 CZ2 TRP A 92 0.962 8.615 -21.846 1.00 0.00 C ATOM 1504 CZ3 TRP A 92 0.352 10.242 -20.171 1.00 0.00 C ATOM 1505 CH2 TRP A 92 0.473 9.847 -21.509 1.00 0.00 C ATOM 0 H TRP A 92 4.216 8.014 -15.308 1.00 0.00 H new ATOM 0 HA TRP A 92 2.544 8.931 -17.241 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.257 5.997 -16.905 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.756 6.893 -16.777 1.00 0.00 H new ATOM 0 HD1 TRP A 92 2.458 5.086 -19.303 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.039 5.957 -21.702 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.626 9.708 -18.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.056 8.315 -22.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.037 11.223 -19.940 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.174 10.529 -22.291 1.00 0.00 H new ATOM 1516 N SER A 93 1.290 9.771 -15.277 1.00 0.00 N ATOM 1517 CA SER A 93 0.575 10.308 -14.125 1.00 0.00 C ATOM 1518 C SER A 93 -0.705 9.521 -13.862 1.00 0.00 C ATOM 1519 O SER A 93 -1.196 8.804 -14.735 1.00 0.00 O ATOM 1520 CB SER A 93 0.246 11.786 -14.345 1.00 0.00 C ATOM 1521 OG SER A 93 -0.974 11.937 -15.049 1.00 0.00 O ATOM 0 H SER A 93 1.364 10.413 -16.066 1.00 0.00 H new ATOM 0 HA SER A 93 1.221 10.214 -13.252 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.180 12.294 -13.383 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.053 12.262 -14.902 1.00 0.00 H new ATOM 0 HG SER A 93 -1.656 12.300 -14.447 1.00 0.00 H new ATOM 1527 N GLU A 94 -1.241 9.656 -12.653 1.00 0.00 N ATOM 1528 CA GLU A 94 -2.462 8.955 -12.275 1.00 0.00 C ATOM 1529 C GLU A 94 -3.575 9.216 -13.284 1.00 0.00 C ATOM 1530 O GLU A 94 -3.828 10.359 -13.667 1.00 0.00 O ATOM 1531 CB GLU A 94 -2.911 9.382 -10.877 1.00 0.00 C ATOM 1532 CG GLU A 94 -3.091 10.882 -10.728 1.00 0.00 C ATOM 1533 CD GLU A 94 -1.916 11.543 -10.034 1.00 0.00 C ATOM 1534 OE1 GLU A 94 -1.386 10.952 -9.070 1.00 0.00 O ATOM 1535 OE2 GLU A 94 -1.527 12.653 -10.454 1.00 0.00 O ATOM 0 H GLU A 94 -0.848 10.245 -11.918 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.249 7.886 -12.267 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.852 8.886 -10.640 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.177 9.038 -10.148 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.224 11.328 -11.714 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.001 11.081 -10.162 1.00 0.00 H new ATOM 1542 N ALA A 95 -4.231 8.145 -13.714 1.00 0.00 N ATOM 1543 CA ALA A 95 -5.314 8.245 -14.682 1.00 0.00 C ATOM 1544 C ALA A 95 -6.531 8.942 -14.085 1.00 0.00 C ATOM 1545 O ALA A 95 -7.248 8.369 -13.265 1.00 0.00 O ATOM 1546 CB ALA A 95 -5.692 6.862 -15.187 1.00 0.00 C ATOM 0 H ALA A 95 -4.030 7.194 -13.405 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.963 8.848 -15.520 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.503 6.948 -15.910 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.828 6.400 -15.664 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -6.017 6.245 -14.349 1.00 0.00 H new ATOM 1552 N ARG A 96 -6.759 10.182 -14.505 1.00 0.00 N ATOM 1553 CA ARG A 96 -7.890 10.959 -14.017 1.00 0.00 C ATOM 1554 C ARG A 96 -9.130 10.710 -14.871 1.00 0.00 C ATOM 1555 O ARG A 96 -9.083 10.819 -16.096 1.00 0.00 O ATOM 1556 CB ARG A 96 -7.546 12.449 -14.021 1.00 0.00 C ATOM 1557 CG ARG A 96 -7.100 12.973 -12.667 1.00 0.00 C ATOM 1558 CD ARG A 96 -6.040 12.082 -12.041 1.00 0.00 C ATOM 1559 NE ARG A 96 -4.993 12.858 -11.383 1.00 0.00 N ATOM 1560 CZ ARG A 96 -5.112 13.371 -10.163 1.00 0.00 C ATOM 1561 NH1 ARG A 96 -6.230 13.193 -9.472 1.00 0.00 N ATOM 1562 NH2 ARG A 96 -4.113 14.066 -9.635 1.00 0.00 N ATOM 0 H ARG A 96 -6.174 10.670 -15.183 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.105 10.643 -12.996 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.755 12.629 -14.749 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.418 13.014 -14.351 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.706 13.983 -12.779 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.960 13.038 -12.001 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.508 11.416 -11.316 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.595 11.452 -12.811 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.121 13.015 -11.888 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -7.001 12.661 -9.877 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.319 13.588 -8.536 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.253 14.207 -10.166 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.205 14.460 -8.699 1.00 0.00 H new ATOM 1576 N SER A 97 -10.238 10.372 -14.216 1.00 0.00 N ATOM 1577 CA SER A 97 -11.488 10.106 -14.919 1.00 0.00 C ATOM 1578 C SER A 97 -12.515 11.201 -14.647 1.00 0.00 C ATOM 1579 O SER A 97 -12.708 11.615 -13.504 1.00 0.00 O ATOM 1580 CB SER A 97 -12.054 8.746 -14.502 1.00 0.00 C ATOM 1581 OG SER A 97 -12.671 8.817 -13.228 1.00 0.00 O ATOM 0 H SER A 97 -10.295 10.276 -13.202 1.00 0.00 H new ATOM 0 HA SER A 97 -11.275 10.093 -15.988 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.780 8.409 -15.242 1.00 0.00 H new ATOM 0 HB3 SER A 97 -11.253 8.007 -14.481 1.00 0.00 H new ATOM 0 HG SER A 97 -12.595 7.949 -12.779 1.00 0.00 H new ATOM 1587 N TRP A 98 -13.171 11.665 -15.707 1.00 0.00 N ATOM 1588 CA TRP A 98 -14.180 12.710 -15.584 1.00 0.00 C ATOM 1589 C TRP A 98 -15.309 12.494 -16.589 1.00 0.00 C ATOM 1590 O TRP A 98 -15.095 11.940 -17.668 1.00 0.00 O ATOM 1591 CB TRP A 98 -13.542 14.089 -15.782 1.00 0.00 C ATOM 1592 CG TRP A 98 -13.225 14.407 -17.211 1.00 0.00 C ATOM 1593 CD1 TRP A 98 -13.986 15.143 -18.069 1.00 0.00 C ATOM 1594 CD2 TRP A 98 -12.071 13.995 -17.949 1.00 0.00 C ATOM 1595 NE1 TRP A 98 -13.373 15.218 -19.296 1.00 0.00 N ATOM 1596 CE2 TRP A 98 -12.196 14.519 -19.245 1.00 0.00 C ATOM 1597 CE3 TRP A 98 -10.943 13.235 -17.641 1.00 0.00 C ATOM 1598 CZ2 TRP A 98 -11.233 14.302 -20.225 1.00 0.00 C ATOM 1599 CZ3 TRP A 98 -9.991 13.022 -18.616 1.00 0.00 C ATOM 1600 CH2 TRP A 98 -10.144 13.557 -19.896 1.00 0.00 C ATOM 0 H TRP A 98 -13.021 11.333 -16.660 1.00 0.00 H new ATOM 0 HA TRP A 98 -14.605 12.662 -14.581 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -14.216 14.851 -15.391 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -12.625 14.143 -15.195 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -14.932 15.600 -17.821 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -13.735 15.713 -20.111 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -10.817 12.819 -16.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -11.347 14.713 -21.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -9.115 12.433 -18.386 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -9.382 13.376 -20.640 1.00 0.00 H new ATOM 1611 N ASP A 99 -16.510 12.933 -16.227 1.00 0.00 N ATOM 1612 CA ASP A 99 -17.671 12.783 -17.098 1.00 0.00 C ATOM 1613 C ASP A 99 -17.712 13.889 -18.146 1.00 0.00 C ATOM 1614 O ASP A 99 -17.085 14.936 -17.985 1.00 0.00 O ATOM 1615 CB ASP A 99 -18.960 12.799 -16.273 1.00 0.00 C ATOM 1616 CG ASP A 99 -20.086 12.037 -16.945 1.00 0.00 C ATOM 1617 OD1 ASP A 99 -20.791 12.636 -17.784 1.00 0.00 O ATOM 1618 OD2 ASP A 99 -20.264 10.841 -16.630 1.00 0.00 O ATOM 0 H ASP A 99 -16.705 13.395 -15.339 1.00 0.00 H new ATOM 0 HA ASP A 99 -17.587 11.825 -17.610 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -18.766 12.365 -15.292 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -19.270 13.831 -16.109 1.00 0.00 H new ATOM 1623 N THR A 100 -18.455 13.649 -19.219 1.00 0.00 N ATOM 1624 CA THR A 100 -18.582 14.623 -20.298 1.00 0.00 C ATOM 1625 C THR A 100 -19.998 15.196 -20.373 1.00 0.00 C ATOM 1626 O THR A 100 -20.348 15.875 -21.337 1.00 0.00 O ATOM 1627 CB THR A 100 -18.218 13.977 -21.630 1.00 0.00 C ATOM 1628 OG1 THR A 100 -18.823 12.701 -21.752 1.00 0.00 O ATOM 1629 CG2 THR A 100 -16.729 13.802 -21.821 1.00 0.00 C ATOM 0 H THR A 100 -18.980 12.787 -19.366 1.00 0.00 H new ATOM 0 HA THR A 100 -17.895 15.443 -20.088 1.00 0.00 H new ATOM 0 HB THR A 100 -18.587 14.661 -22.394 1.00 0.00 H new ATOM 0 HG1 THR A 100 -18.177 12.007 -21.503 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.538 13.337 -22.788 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.240 14.776 -21.784 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.333 13.167 -21.029 1.00 0.00 H new ATOM 1637 N GLU A 101 -20.805 14.915 -19.355 1.00 0.00 N ATOM 1638 CA GLU A 101 -22.182 15.398 -19.304 1.00 0.00 C ATOM 1639 C GLU A 101 -22.907 15.122 -20.618 1.00 0.00 C ATOM 1640 O GLU A 101 -22.349 14.515 -21.531 1.00 0.00 O ATOM 1641 CB GLU A 101 -22.215 16.897 -18.985 1.00 0.00 C ATOM 1642 CG GLU A 101 -21.770 17.783 -20.138 1.00 0.00 C ATOM 1643 CD GLU A 101 -22.241 19.216 -19.983 1.00 0.00 C ATOM 1644 OE1 GLU A 101 -23.414 19.493 -20.309 1.00 0.00 O ATOM 1645 OE2 GLU A 101 -21.436 20.060 -19.536 1.00 0.00 O ATOM 0 H GLU A 101 -20.528 14.353 -18.550 1.00 0.00 H new ATOM 0 HA GLU A 101 -22.698 14.859 -18.509 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -23.229 17.175 -18.697 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -21.575 17.089 -18.124 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -20.682 17.767 -20.206 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -22.154 17.377 -21.074 1.00 0.00 H new ATOM 1652 N SER A 102 -24.156 15.571 -20.703 1.00 0.00 N ATOM 1653 CA SER A 102 -24.960 15.370 -21.903 1.00 0.00 C ATOM 1654 C SER A 102 -25.470 16.700 -22.445 1.00 0.00 C ATOM 1655 O SER A 102 -24.640 17.497 -22.934 1.00 0.00 O ATOM 1656 CB SER A 102 -26.138 14.441 -21.601 1.00 0.00 C ATOM 1657 OG SER A 102 -25.841 13.574 -20.520 1.00 0.00 O ATOM 1658 OXT SER A 102 -26.695 16.938 -22.376 1.00 0.00 O ATOM 0 H SER A 102 -24.632 16.076 -19.956 1.00 0.00 H new ATOM 0 HA SER A 102 -24.328 14.909 -22.662 1.00 0.00 H new ATOM 0 HB2 SER A 102 -27.021 15.034 -21.363 1.00 0.00 H new ATOM 0 HB3 SER A 102 -26.378 13.853 -22.487 1.00 0.00 H new ATOM 0 HG SER A 102 -26.610 12.992 -20.346 1.00 0.00 H new TER 1664 SER A 102