USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 908 hydrogens (13 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 NoAdj-H: A 118 ALY H2 : A 118 ALY N : A 117 ALA C :(H bumps) USER MOD Set 1.1: A 116 ASN : amide:sc= -8.09! C(o=-18!,f=-25!) USER MOD Set 1.2: A 119 HIS : no HE2:sc= -9.99! C(o=-18!,f=-18!) USER MOD Set 2.1: A 73 SER OG : rot 140:sc= -0.0226 USER MOD Set 2.2: A 101 THR OG1 : rot 123:sc= -0.747 USER MOD Set 3.1: A 62 SER OG : rot 147:sc= 0.862 USER MOD Set 3.2: A 70 ASN : amide:sc= 0.548 K(o=1.4,f=0.021) USER MOD Set 4.1: A 5 TYR OH : rot 56:sc= -2.74! USER MOD Set 4.2: A 57 TYR OH : rot -42:sc= 0.301 USER MOD Set 5.1: A 7 ASN : amide:sc= -0.572 K(o=-1.2,f=-4.2!) USER MOD Set 5.2: A 10 THR OG1 : rot 45:sc= -0.645 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 52:sc= -0.5 USER MOD Single : A 14 GLN : amide:sc= -0.0222 X(o=-0.022,f=-0.12) USER MOD Single : A 18 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 37 TYR OH : rot 1:sc= 0.839 USER MOD Single : A 39 THR OG1 : rot -72:sc= 0.0138 USER MOD Single : A 40 MET CE :methyl -151:sc= -12.3! (180deg=-13.7!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN :FLIP amide:sc= -0.71 F(o=-2.1!,f=-0.71) USER MOD Single : A 76 LYS NZ :NH3+ 167:sc= 0.318 (180deg=0.237) USER MOD Single : A 82 MET CE :methyl -167:sc= 0 (180deg=-0.117) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0505 K(o=-0.05,f=-2!) USER MOD Single : A 86 GLN : amide:sc= -0.665 X(o=-0.67,f=-0.19) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 147:sc= 0.138 (180deg=-0.0125) USER MOD Single : A 115 TYR OH : rot -59:sc= 1.34 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= -1.12 K(o=-1.1,f=-4.5!) USER MOD Single : A 125 ASN : amide:sc=-0.00791 X(o=-0.0079,f=-0.0079) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -20.149 -14.853 12.879 1.00 3.92 N ATOM 2 CA PRO A 1 -18.726 -14.987 12.463 1.00 3.44 C ATOM 3 C PRO A 1 -17.939 -13.731 12.845 1.00 3.50 C ATOM 4 O PRO A 1 -17.385 -13.054 12.001 1.00 4.94 O ATOM 5 CB PRO A 1 -18.799 -15.136 10.948 1.00 2.00 C ATOM 6 CG PRO A 1 -20.084 -14.480 10.562 1.00 4.99 C ATOM 7 CD PRO A 1 -21.028 -14.644 11.723 1.00 3.38 C ATOM 0 H2 PRO A 1 -20.244 -14.070 13.526 1.00 3.92 H new ATOM 0 H3 PRO A 1 -20.439 -15.692 13.381 1.00 3.92 H new ATOM 0 HA PRO A 1 -18.221 -15.825 12.943 1.00 3.44 H new ATOM 0 HB2 PRO A 1 -17.949 -14.657 10.462 1.00 2.00 H new ATOM 0 HB3 PRO A 1 -18.786 -16.185 10.653 1.00 2.00 H new ATOM 0 HG2 PRO A 1 -19.927 -13.425 10.339 1.00 4.99 H new ATOM 0 HG3 PRO A 1 -20.496 -14.938 9.663 1.00 4.99 H new ATOM 0 HD2 PRO A 1 -21.654 -13.762 11.854 1.00 3.38 H new ATOM 0 HD3 PRO A 1 -21.698 -15.491 11.574 1.00 3.38 H new ATOM 17 N THR A 2 -17.886 -13.413 14.109 1.00 3.08 N ATOM 18 CA THR A 2 -17.136 -12.198 14.537 1.00 2.08 C ATOM 19 C THR A 2 -15.978 -12.578 15.464 1.00 2.52 C ATOM 20 O THR A 2 -16.118 -13.399 16.349 1.00 2.28 O ATOM 21 CB THR A 2 -18.158 -11.342 15.285 1.00 3.47 C ATOM 22 OG1 THR A 2 -19.204 -10.973 14.397 1.00 3.73 O ATOM 23 CG2 THR A 2 -17.474 -10.085 15.823 1.00 3.09 C ATOM 0 H THR A 2 -18.328 -13.940 14.862 1.00 3.08 H new ATOM 0 HA THR A 2 -16.700 -11.670 13.689 1.00 2.08 H new ATOM 0 HB THR A 2 -18.572 -11.911 16.117 1.00 3.47 H new ATOM 0 HG1 THR A 2 -19.861 -10.426 14.875 1.00 3.73 H new ATOM 0 HG21 THR A 2 -18.202 -9.474 16.356 1.00 3.09 H new ATOM 0 HG22 THR A 2 -16.672 -10.370 16.504 1.00 3.09 H new ATOM 0 HG23 THR A 2 -17.059 -9.513 14.993 1.00 3.09 H new ATOM 31 N VAL A 3 -14.836 -11.980 15.266 1.00 10.00 N ATOM 32 CA VAL A 3 -13.664 -12.294 16.132 1.00 10.00 C ATOM 33 C VAL A 3 -12.861 -11.018 16.396 1.00 10.00 C ATOM 34 O VAL A 3 -13.025 -10.021 15.722 1.00 10.00 O ATOM 35 CB VAL A 3 -12.836 -13.299 15.328 1.00 10.00 C ATOM 36 CG1 VAL A 3 -11.417 -13.370 15.898 1.00 10.00 C ATOM 37 CG2 VAL A 3 -13.489 -14.681 15.414 1.00 10.00 C ATOM 0 H VAL A 3 -14.663 -11.285 14.540 1.00 10.00 H new ATOM 0 HA VAL A 3 -13.954 -12.697 17.102 1.00 10.00 H new ATOM 0 HB VAL A 3 -12.792 -12.980 14.287 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -10.830 -14.086 15.324 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -10.951 -12.387 15.837 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -11.459 -13.688 16.940 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -12.900 -15.398 14.842 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -13.534 -14.998 16.456 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -14.498 -14.632 15.006 1.00 10.00 H new ATOM 47 N GLU A 4 -11.993 -11.038 17.370 1.00 10.00 N ATOM 48 CA GLU A 4 -11.184 -9.822 17.670 1.00 10.00 C ATOM 49 C GLU A 4 -9.704 -10.192 17.786 1.00 10.00 C ATOM 50 O GLU A 4 -9.290 -10.845 18.723 1.00 10.00 O ATOM 51 CB GLU A 4 -11.716 -9.311 19.009 1.00 50.00 C ATOM 52 CG GLU A 4 -11.564 -7.790 19.073 1.00 50.00 C ATOM 53 CD GLU A 4 -12.850 -7.172 19.625 1.00 50.00 C ATOM 54 OE1 GLU A 4 -13.282 -7.599 20.683 1.00 50.00 O ATOM 55 OE2 GLU A 4 -13.381 -6.282 18.981 1.00 50.00 O ATOM 0 H GLU A 4 -11.809 -11.842 17.970 1.00 10.00 H new ATOM 0 HA GLU A 4 -11.264 -9.068 16.887 1.00 10.00 H new ATOM 0 HB2 GLU A 4 -12.764 -9.587 19.125 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -11.171 -9.776 19.830 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -10.719 -7.525 19.708 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -11.354 -7.393 18.080 1.00 50.00 H new ATOM 62 N TYR A 5 -8.902 -9.786 16.839 1.00 10.00 N ATOM 63 CA TYR A 5 -7.451 -10.125 16.901 1.00 10.00 C ATOM 64 C TYR A 5 -6.687 -9.074 17.711 1.00 10.00 C ATOM 65 O TYR A 5 -7.000 -7.899 17.680 1.00 10.00 O ATOM 66 CB TYR A 5 -6.978 -10.137 15.446 1.00 10.00 C ATOM 67 CG TYR A 5 -7.099 -8.752 14.856 1.00 10.00 C ATOM 68 CD1 TYR A 5 -6.082 -7.810 15.061 1.00 10.00 C ATOM 69 CD2 TYR A 5 -8.226 -8.412 14.098 1.00 10.00 C ATOM 70 CE1 TYR A 5 -6.193 -6.529 14.506 1.00 50.00 C ATOM 71 CE2 TYR A 5 -8.337 -7.131 13.545 1.00 50.00 C ATOM 72 CZ TYR A 5 -7.321 -6.190 13.748 1.00 50.00 C ATOM 73 OH TYR A 5 -7.430 -4.928 13.201 1.00 50.00 O ATOM 0 H TYR A 5 -9.187 -9.237 16.028 1.00 10.00 H new ATOM 0 HA TYR A 5 -7.277 -11.083 17.391 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -5.943 -10.475 15.393 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -7.574 -10.842 14.866 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -5.213 -8.072 15.647 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -9.010 -9.138 13.940 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -5.409 -5.803 14.662 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -9.207 -6.869 12.961 1.00 50.00 H new ATOM 0 HH TYR A 5 -6.646 -4.745 12.642 1.00 50.00 H new ATOM 83 N LEU A 6 -5.684 -9.494 18.436 1.00 10.00 N ATOM 84 CA LEU A 6 -4.890 -8.531 19.253 1.00 10.00 C ATOM 85 C LEU A 6 -3.392 -8.786 19.060 1.00 10.00 C ATOM 86 O LEU A 6 -2.959 -9.912 18.915 1.00 10.00 O ATOM 87 CB LEU A 6 -5.294 -8.816 20.700 1.00 12.50 C ATOM 88 CG LEU A 6 -5.662 -7.506 21.400 1.00 12.50 C ATOM 89 CD1 LEU A 6 -5.808 -7.755 22.903 1.00 50.00 C ATOM 90 CD2 LEU A 6 -4.561 -6.472 21.161 1.00 50.00 C ATOM 0 H LEU A 6 -5.380 -10.466 18.497 1.00 10.00 H new ATOM 0 HA LEU A 6 -5.078 -7.495 18.970 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -6.141 -9.502 20.723 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -4.474 -9.304 21.227 1.00 12.50 H new ATOM 0 HG LEU A 6 -6.604 -7.133 20.999 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -6.070 -6.822 23.403 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -6.593 -8.492 23.075 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -4.865 -8.128 23.303 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -4.824 -5.539 21.660 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -3.618 -6.845 21.562 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -4.455 -6.294 20.091 1.00 50.00 H new ATOM 102 N ASN A 7 -2.597 -7.750 19.057 1.00 10.00 N ATOM 103 CA ASN A 7 -1.128 -7.937 18.874 1.00 10.00 C ATOM 104 C ASN A 7 -0.492 -8.444 20.171 1.00 10.00 C ATOM 105 O ASN A 7 -0.383 -7.720 21.141 1.00 10.00 O ATOM 106 CB ASN A 7 -0.593 -6.546 18.532 1.00 10.00 C ATOM 107 CG ASN A 7 0.911 -6.624 18.261 1.00 10.00 C ATOM 108 OD1 ASN A 7 1.642 -5.703 18.564 1.00 12.50 O ATOM 109 ND2 ASN A 7 1.408 -7.691 17.698 1.00 12.50 N ATOM 0 H ASN A 7 -2.900 -6.783 19.173 1.00 10.00 H new ATOM 0 HA ASN A 7 -0.900 -8.668 18.099 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -1.110 -6.152 17.657 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -0.789 -5.858 19.355 1.00 10.00 H new ATOM 0 HD21 ASN A 7 2.409 -7.751 17.513 1.00 12.50 H new ATOM 0 HD22 ASN A 7 0.795 -8.465 17.443 1.00 12.50 H new ATOM 116 N TYR A 8 -0.063 -9.677 20.198 1.00 50.00 N ATOM 117 CA TYR A 8 0.572 -10.208 21.437 1.00 50.00 C ATOM 118 C TYR A 8 1.765 -9.331 21.815 1.00 50.00 C ATOM 119 O TYR A 8 2.044 -9.108 22.977 1.00 50.00 O ATOM 120 CB TYR A 8 1.036 -11.620 21.081 1.00 50.00 C ATOM 121 CG TYR A 8 1.968 -12.122 22.159 1.00 50.00 C ATOM 122 CD1 TYR A 8 3.309 -11.722 22.165 1.00 50.00 C ATOM 123 CD2 TYR A 8 1.489 -12.981 23.155 1.00 50.00 C ATOM 124 CE1 TYR A 8 4.173 -12.182 23.167 1.00 50.00 C ATOM 125 CE2 TYR A 8 2.352 -13.441 24.157 1.00 50.00 C ATOM 126 CZ TYR A 8 3.694 -13.042 24.163 1.00 50.00 C ATOM 127 OH TYR A 8 4.544 -13.494 25.151 1.00 50.00 O ATOM 0 H TYR A 8 -0.124 -10.335 19.421 1.00 50.00 H new ATOM 0 HA TYR A 8 -0.112 -10.215 22.286 1.00 50.00 H new ATOM 0 HB2 TYR A 8 0.178 -12.285 20.987 1.00 50.00 H new ATOM 0 HB3 TYR A 8 1.544 -11.617 20.117 1.00 50.00 H new ATOM 0 HD1 TYR A 8 3.678 -11.058 21.397 1.00 50.00 H new ATOM 0 HD2 TYR A 8 0.454 -13.289 23.151 1.00 50.00 H new ATOM 0 HE1 TYR A 8 5.208 -11.874 23.171 1.00 50.00 H new ATOM 0 HE2 TYR A 8 1.982 -14.104 24.925 1.00 50.00 H new ATOM 0 HH TYR A 8 5.005 -12.732 25.560 1.00 50.00 H new ATOM 137 N GLU A 9 2.465 -8.824 20.838 1.00 25.00 N ATOM 138 CA GLU A 9 3.637 -7.952 21.133 1.00 25.00 C ATOM 139 C GLU A 9 3.171 -6.688 21.857 1.00 25.00 C ATOM 140 O GLU A 9 3.811 -6.213 22.775 1.00 25.00 O ATOM 141 CB GLU A 9 4.222 -7.602 19.765 1.00 50.00 C ATOM 142 CG GLU A 9 5.748 -7.545 19.862 1.00 50.00 C ATOM 143 CD GLU A 9 6.171 -6.209 20.476 1.00 50.00 C ATOM 144 OE1 GLU A 9 5.363 -5.295 20.471 1.00 50.00 O ATOM 145 OE2 GLU A 9 7.296 -6.124 20.941 1.00 50.00 O ATOM 0 H GLU A 9 2.276 -8.976 19.847 1.00 25.00 H new ATOM 0 HA GLU A 9 4.371 -8.439 21.775 1.00 25.00 H new ATOM 0 HB2 GLU A 9 3.921 -8.347 19.028 1.00 50.00 H new ATOM 0 HB3 GLU A 9 3.832 -6.642 19.426 1.00 50.00 H new ATOM 0 HG2 GLU A 9 6.115 -8.370 20.472 1.00 50.00 H new ATOM 0 HG3 GLU A 9 6.190 -7.659 18.872 1.00 50.00 H new ATOM 152 N THR A 10 2.056 -6.142 21.453 1.00 50.00 N ATOM 153 CA THR A 10 1.543 -4.912 22.120 1.00 50.00 C ATOM 154 C THR A 10 1.237 -5.207 23.589 1.00 50.00 C ATOM 155 O THR A 10 1.458 -4.387 24.457 1.00 50.00 O ATOM 156 CB THR A 10 0.261 -4.556 21.367 1.00 50.00 C ATOM 157 OG1 THR A 10 0.579 -4.224 20.023 1.00 50.00 O ATOM 158 CG2 THR A 10 -0.415 -3.363 22.043 1.00 50.00 C ATOM 0 H THR A 10 1.478 -6.495 20.690 1.00 50.00 H new ATOM 0 HA THR A 10 2.265 -4.096 22.099 1.00 50.00 H new ATOM 0 HB THR A 10 -0.417 -5.410 21.380 1.00 50.00 H new ATOM 0 HG1 THR A 10 1.209 -4.883 19.664 1.00 50.00 H new ATOM 0 HG21 THR A 10 -1.329 -3.110 21.505 1.00 50.00 H new ATOM 0 HG22 THR A 10 -0.660 -3.619 23.074 1.00 50.00 H new ATOM 0 HG23 THR A 10 0.261 -2.508 22.032 1.00 50.00 H new ATOM 166 N LEU A 11 0.733 -6.377 23.872 1.00 50.00 N ATOM 167 CA LEU A 11 0.416 -6.730 25.285 1.00 50.00 C ATOM 168 C LEU A 11 1.696 -6.716 26.122 1.00 50.00 C ATOM 169 O LEU A 11 1.711 -6.255 27.246 1.00 50.00 O ATOM 170 CB LEU A 11 -0.168 -8.141 25.217 1.00 50.00 C ATOM 171 CG LEU A 11 -0.288 -8.713 26.631 1.00 50.00 C ATOM 172 CD1 LEU A 11 -1.056 -7.730 27.517 1.00 50.00 C ATOM 173 CD2 LEU A 11 -1.037 -10.045 26.579 1.00 50.00 C ATOM 0 H LEU A 11 0.527 -7.103 23.186 1.00 50.00 H new ATOM 0 HA LEU A 11 -0.277 -6.027 25.747 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -1.147 -8.118 24.738 1.00 50.00 H new ATOM 0 HB3 LEU A 11 0.470 -8.781 24.607 1.00 50.00 H new ATOM 0 HG LEU A 11 0.708 -8.871 27.044 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -1.141 -8.138 28.524 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -0.522 -6.780 27.554 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -2.052 -7.570 27.105 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -1.123 -10.454 27.586 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -2.033 -9.887 26.165 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -0.490 -10.746 25.949 1.00 50.00 H new ATOM 185 N ASP A 12 2.774 -7.213 25.578 1.00 50.00 N ATOM 186 CA ASP A 12 4.056 -7.223 26.338 1.00 50.00 C ATOM 187 C ASP A 12 4.677 -5.824 26.329 1.00 50.00 C ATOM 188 O ASP A 12 4.952 -5.248 27.363 1.00 50.00 O ATOM 189 CB ASP A 12 4.953 -8.213 25.594 1.00 50.00 C ATOM 190 CG ASP A 12 4.966 -9.551 26.336 1.00 50.00 C ATOM 191 OD1 ASP A 12 4.499 -9.584 27.463 1.00 50.00 O ATOM 192 OD2 ASP A 12 5.441 -10.518 25.766 1.00 50.00 O ATOM 0 H ASP A 12 2.822 -7.612 24.641 1.00 50.00 H new ATOM 0 HA ASP A 12 3.918 -7.507 27.381 1.00 50.00 H new ATOM 0 HB2 ASP A 12 4.590 -8.354 24.576 1.00 50.00 H new ATOM 0 HB3 ASP A 12 5.966 -7.817 25.520 1.00 50.00 H new ATOM 197 N ASP A 13 4.895 -5.272 25.167 1.00 50.00 N ATOM 198 CA ASP A 13 5.494 -3.909 25.090 1.00 50.00 C ATOM 199 C ASP A 13 4.805 -2.978 26.090 1.00 50.00 C ATOM 200 O ASP A 13 5.442 -2.365 26.923 1.00 50.00 O ATOM 201 CB ASP A 13 5.236 -3.442 23.657 1.00 50.00 C ATOM 202 CG ASP A 13 6.153 -2.261 23.331 1.00 50.00 C ATOM 203 OD1 ASP A 13 7.267 -2.503 22.897 1.00 50.00 O ATOM 204 OD2 ASP A 13 5.726 -1.134 23.521 1.00 50.00 O ATOM 0 H ASP A 13 4.684 -5.705 24.268 1.00 50.00 H new ATOM 0 HA ASP A 13 6.557 -3.909 25.332 1.00 50.00 H new ATOM 0 HB2 ASP A 13 5.416 -4.259 22.959 1.00 50.00 H new ATOM 0 HB3 ASP A 13 4.193 -3.149 23.541 1.00 50.00 H new ATOM 209 N GLN A 14 3.507 -2.870 26.014 1.00 50.00 N ATOM 210 CA GLN A 14 2.776 -1.982 26.961 1.00 50.00 C ATOM 211 C GLN A 14 2.842 -2.556 28.379 1.00 50.00 C ATOM 212 O GLN A 14 2.705 -1.846 29.354 1.00 50.00 O ATOM 213 CB GLN A 14 1.333 -1.966 26.454 1.00 50.00 C ATOM 214 CG GLN A 14 1.318 -1.586 24.972 1.00 50.00 C ATOM 215 CD GLN A 14 0.924 -0.115 24.827 1.00 50.00 C ATOM 216 OE1 GLN A 14 1.606 0.761 25.321 1.00 50.00 O ATOM 217 NE2 GLN A 14 -0.158 0.197 24.166 1.00 50.00 N ATOM 0 H GLN A 14 2.921 -3.358 25.337 1.00 50.00 H new ATOM 0 HA GLN A 14 3.203 -0.980 27.004 1.00 50.00 H new ATOM 0 HB2 GLN A 14 0.876 -2.946 26.594 1.00 50.00 H new ATOM 0 HB3 GLN A 14 0.742 -1.253 27.029 1.00 50.00 H new ATOM 0 HG2 GLN A 14 2.301 -1.755 24.532 1.00 50.00 H new ATOM 0 HG3 GLN A 14 0.613 -2.217 24.431 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -0.731 -0.537 23.751 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -0.430 1.175 24.065 1.00 50.00 H new ATOM 226 N GLY A 15 3.053 -3.838 28.499 1.00 50.00 N ATOM 227 CA GLY A 15 3.129 -4.457 29.852 1.00 50.00 C ATOM 228 C GLY A 15 1.723 -4.559 30.445 1.00 50.00 C ATOM 229 O GLY A 15 1.528 -4.413 31.636 1.00 50.00 O ATOM 0 H GLY A 15 3.176 -4.483 27.719 1.00 50.00 H new ATOM 0 HA2 GLY A 15 3.580 -5.447 29.786 1.00 50.00 H new ATOM 0 HA3 GLY A 15 3.767 -3.859 30.502 1.00 50.00 H new ATOM 233 N TRP A 16 0.739 -4.809 29.625 1.00 50.00 N ATOM 234 CA TRP A 16 -0.654 -4.920 30.144 1.00 50.00 C ATOM 235 C TRP A 16 -0.935 -6.351 30.606 1.00 50.00 C ATOM 236 O TRP A 16 -0.044 -7.172 30.696 1.00 50.00 O ATOM 237 CB TRP A 16 -1.548 -4.554 28.959 1.00 50.00 C ATOM 238 CG TRP A 16 -2.184 -3.224 29.207 1.00 50.00 C ATOM 239 CD1 TRP A 16 -3.515 -2.981 29.178 1.00 50.00 C ATOM 240 CD2 TRP A 16 -1.543 -1.953 29.521 1.00 50.00 C ATOM 241 NE1 TRP A 16 -3.732 -1.644 29.456 1.00 50.00 N ATOM 242 CE2 TRP A 16 -2.547 -0.968 29.674 1.00 50.00 C ATOM 243 CE3 TRP A 16 -0.202 -1.564 29.688 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -2.232 0.356 29.980 1.00 50.00 C ATOM 245 CZ3 TRP A 16 0.119 -0.232 29.996 1.00 50.00 C ATOM 246 CH2 TRP A 16 -0.894 0.726 30.142 1.00 50.00 C ATOM 0 H TRP A 16 0.839 -4.941 28.619 1.00 50.00 H new ATOM 0 HA TRP A 16 -0.827 -4.271 31.002 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -0.960 -4.522 28.042 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -2.315 -5.316 28.820 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -4.283 -3.712 28.971 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -4.654 -1.210 29.495 1.00 50.00 H new ATOM 0 HE3 TRP A 16 0.586 -2.294 29.579 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -3.016 1.090 30.091 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 1.152 0.056 30.121 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -0.641 1.749 30.379 1.00 50.00 H new ATOM 257 N ASP A 17 -2.169 -6.655 30.902 1.00 50.00 N ATOM 258 CA ASP A 17 -2.509 -8.033 31.360 1.00 50.00 C ATOM 259 C ASP A 17 -3.131 -8.835 30.213 1.00 50.00 C ATOM 260 O ASP A 17 -3.453 -8.299 29.171 1.00 50.00 O ATOM 261 CB ASP A 17 -3.523 -7.836 32.486 1.00 50.00 C ATOM 262 CG ASP A 17 -2.783 -7.599 33.804 1.00 50.00 C ATOM 263 OD1 ASP A 17 -1.564 -7.558 33.777 1.00 50.00 O ATOM 264 OD2 ASP A 17 -3.447 -7.463 34.818 1.00 50.00 O ATOM 0 H ASP A 17 -2.957 -6.009 30.847 1.00 50.00 H new ATOM 0 HA ASP A 17 -1.630 -8.585 31.693 1.00 50.00 H new ATOM 0 HB2 ASP A 17 -4.170 -6.988 32.263 1.00 50.00 H new ATOM 0 HB3 ASP A 17 -4.165 -8.713 32.570 1.00 50.00 H new ATOM 269 N MET A 18 -3.300 -10.116 30.396 1.00 50.00 N ATOM 270 CA MET A 18 -3.900 -10.952 29.316 1.00 50.00 C ATOM 271 C MET A 18 -5.409 -10.704 29.227 1.00 50.00 C ATOM 272 O MET A 18 -5.966 -10.588 28.153 1.00 50.00 O ATOM 273 CB MET A 18 -3.620 -12.395 29.734 1.00 50.00 C ATOM 274 CG MET A 18 -2.920 -13.133 28.591 1.00 50.00 C ATOM 275 SD MET A 18 -2.982 -14.916 28.896 1.00 50.00 S ATOM 276 CE MET A 18 -4.538 -15.240 28.031 1.00 50.00 C ATOM 0 H MET A 18 -3.049 -10.620 31.246 1.00 50.00 H new ATOM 0 HA MET A 18 -3.483 -10.720 28.336 1.00 50.00 H new ATOM 0 HB2 MET A 18 -2.996 -12.411 30.627 1.00 50.00 H new ATOM 0 HB3 MET A 18 -4.553 -12.898 29.988 1.00 50.00 H new ATOM 0 HG2 MET A 18 -3.403 -12.899 27.643 1.00 50.00 H new ATOM 0 HG3 MET A 18 -1.884 -12.803 28.511 1.00 50.00 H new ATOM 0 HE1 MET A 18 -4.775 -16.302 28.094 1.00 50.00 H new ATOM 0 HE2 MET A 18 -5.338 -14.662 28.493 1.00 50.00 H new ATOM 0 HE3 MET A 18 -4.439 -14.951 26.985 1.00 50.00 H new ATOM 286 N ASP A 19 -6.075 -10.624 30.346 1.00 50.00 N ATOM 287 CA ASP A 19 -7.547 -10.388 30.321 1.00 50.00 C ATOM 288 C ASP A 19 -7.957 -9.465 31.472 1.00 50.00 C ATOM 289 O ASP A 19 -9.124 -9.321 31.778 1.00 50.00 O ATOM 290 CB ASP A 19 -8.170 -11.773 30.498 1.00 50.00 C ATOM 291 CG ASP A 19 -7.737 -12.358 31.844 1.00 50.00 C ATOM 292 OD1 ASP A 19 -6.569 -12.681 31.979 1.00 50.00 O ATOM 293 OD2 ASP A 19 -8.581 -12.471 32.718 1.00 50.00 O ATOM 0 H ASP A 19 -5.665 -10.712 31.276 1.00 50.00 H new ATOM 0 HA ASP A 19 -7.872 -9.907 29.399 1.00 50.00 H new ATOM 0 HB2 ASP A 19 -9.257 -11.703 30.452 1.00 50.00 H new ATOM 0 HB3 ASP A 19 -7.858 -12.430 29.686 1.00 50.00 H new ATOM 298 N ASP A 20 -7.008 -8.841 32.114 1.00 50.00 N ATOM 299 CA ASP A 20 -7.349 -7.932 33.245 1.00 50.00 C ATOM 300 C ASP A 20 -7.832 -6.579 32.714 1.00 50.00 C ATOM 301 O ASP A 20 -8.927 -6.141 33.007 1.00 50.00 O ATOM 302 CB ASP A 20 -6.046 -7.769 34.028 1.00 50.00 C ATOM 303 CG ASP A 20 -6.365 -7.527 35.505 1.00 50.00 C ATOM 304 OD1 ASP A 20 -7.334 -8.093 35.982 1.00 50.00 O ATOM 305 OD2 ASP A 20 -5.633 -6.780 36.134 1.00 50.00 O ATOM 0 H ASP A 20 -6.013 -8.921 31.905 1.00 50.00 H new ATOM 0 HA ASP A 20 -8.151 -8.330 33.867 1.00 50.00 H new ATOM 0 HB2 ASP A 20 -5.430 -8.662 33.920 1.00 50.00 H new ATOM 0 HB3 ASP A 20 -5.471 -6.934 33.628 1.00 50.00 H new ATOM 310 N ASP A 21 -7.024 -5.913 31.935 1.00 50.00 N ATOM 311 CA ASP A 21 -7.440 -4.589 31.388 1.00 50.00 C ATOM 312 C ASP A 21 -8.369 -4.779 30.187 1.00 50.00 C ATOM 313 O ASP A 21 -8.749 -3.832 29.528 1.00 50.00 O ATOM 314 CB ASP A 21 -6.139 -3.910 30.957 1.00 50.00 C ATOM 315 CG ASP A 21 -6.005 -2.563 31.671 1.00 50.00 C ATOM 316 OD1 ASP A 21 -6.200 -2.531 32.875 1.00 50.00 O ATOM 317 OD2 ASP A 21 -5.708 -1.588 31.001 1.00 50.00 O ATOM 0 H ASP A 21 -6.095 -6.227 31.654 1.00 50.00 H new ATOM 0 HA ASP A 21 -7.987 -3.995 32.120 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -5.287 -4.547 31.197 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -6.133 -3.763 29.877 1.00 50.00 H new ATOM 322 N ASP A 22 -8.738 -5.996 29.898 1.00 50.00 N ATOM 323 CA ASP A 22 -9.641 -6.244 28.739 1.00 50.00 C ATOM 324 C ASP A 22 -9.075 -5.580 27.483 1.00 50.00 C ATOM 325 O ASP A 22 -9.759 -4.859 26.784 1.00 50.00 O ATOM 326 CB ASP A 22 -10.976 -5.609 29.130 1.00 50.00 C ATOM 327 CG ASP A 22 -12.088 -6.655 29.025 1.00 50.00 C ATOM 328 OD1 ASP A 22 -11.832 -7.709 28.467 1.00 50.00 O ATOM 329 OD2 ASP A 22 -13.176 -6.384 29.505 1.00 50.00 O ATOM 0 H ASP A 22 -8.454 -6.829 30.414 1.00 50.00 H new ATOM 0 HA ASP A 22 -9.749 -7.306 28.517 1.00 50.00 H new ATOM 0 HB2 ASP A 22 -10.922 -5.221 30.147 1.00 50.00 H new ATOM 0 HB3 ASP A 22 -11.194 -4.764 28.477 1.00 50.00 H new ATOM 334 N LEU A 23 -7.827 -5.820 27.196 1.00 50.00 N ATOM 335 CA LEU A 23 -7.202 -5.208 25.988 1.00 50.00 C ATOM 336 C LEU A 23 -8.168 -5.259 24.799 1.00 50.00 C ATOM 337 O LEU A 23 -8.300 -4.309 24.054 1.00 50.00 O ATOM 338 CB LEU A 23 -5.965 -6.061 25.707 1.00 50.00 C ATOM 339 CG LEU A 23 -4.778 -5.520 26.507 1.00 50.00 C ATOM 340 CD1 LEU A 23 -4.512 -6.434 27.705 1.00 50.00 C ATOM 341 CD2 LEU A 23 -3.537 -5.476 25.612 1.00 50.00 C ATOM 0 H LEU A 23 -7.209 -6.416 27.747 1.00 50.00 H new ATOM 0 HA LEU A 23 -6.951 -4.159 26.145 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -6.157 -7.099 25.978 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -5.735 -6.047 24.642 1.00 50.00 H new ATOM 0 HG LEU A 23 -5.006 -4.515 26.861 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -3.667 -6.049 28.275 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -5.396 -6.465 28.342 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -4.284 -7.440 27.352 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -2.691 -5.091 26.181 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -3.308 -6.481 25.258 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -3.727 -4.825 24.759 1.00 50.00 H new ATOM 353 N PHE A 24 -8.841 -6.362 24.614 1.00 50.00 N ATOM 354 CA PHE A 24 -9.794 -6.469 23.471 1.00 50.00 C ATOM 355 C PHE A 24 -10.830 -5.345 23.543 1.00 50.00 C ATOM 356 O PHE A 24 -11.466 -5.010 22.564 1.00 50.00 O ATOM 357 CB PHE A 24 -10.466 -7.832 23.640 1.00 50.00 C ATOM 358 CG PHE A 24 -9.548 -8.912 23.119 1.00 50.00 C ATOM 359 CD1 PHE A 24 -9.212 -8.951 21.761 1.00 50.00 C ATOM 360 CD2 PHE A 24 -9.030 -9.873 23.996 1.00 50.00 C ATOM 361 CE1 PHE A 24 -8.360 -9.951 21.279 1.00 50.00 C ATOM 362 CE2 PHE A 24 -8.176 -10.873 23.514 1.00 50.00 C ATOM 363 CZ PHE A 24 -7.841 -10.912 22.155 1.00 50.00 C ATOM 0 H PHE A 24 -8.773 -7.192 25.203 1.00 50.00 H new ATOM 0 HA PHE A 24 -9.295 -6.380 22.506 1.00 50.00 H new ATOM 0 HB2 PHE A 24 -10.694 -8.009 24.691 1.00 50.00 H new ATOM 0 HB3 PHE A 24 -11.413 -7.852 23.100 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -9.610 -8.209 21.085 1.00 50.00 H new ATOM 0 HD2 PHE A 24 -9.289 -9.843 25.044 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -8.103 -9.982 20.231 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -7.776 -11.614 24.190 1.00 50.00 H new ATOM 0 HZ PHE A 24 -7.183 -11.683 21.783 1.00 50.00 H new ATOM 373 N GLU A 25 -11.001 -4.760 24.695 1.00 50.00 N ATOM 374 CA GLU A 25 -11.994 -3.656 24.831 1.00 50.00 C ATOM 375 C GLU A 25 -11.273 -2.315 25.002 1.00 50.00 C ATOM 376 O GLU A 25 -11.568 -1.351 24.324 1.00 50.00 O ATOM 377 CB GLU A 25 -12.799 -3.997 26.085 1.00 50.00 C ATOM 378 CG GLU A 25 -14.148 -3.277 26.036 1.00 50.00 C ATOM 379 CD GLU A 25 -13.952 -1.800 26.383 1.00 50.00 C ATOM 380 OE1 GLU A 25 -13.561 -1.052 25.502 1.00 50.00 O ATOM 381 OE2 GLU A 25 -14.197 -1.441 27.523 1.00 50.00 O ATOM 0 H GLU A 25 -10.497 -4.998 25.549 1.00 50.00 H new ATOM 0 HA GLU A 25 -12.632 -3.564 23.952 1.00 50.00 H new ATOM 0 HB2 GLU A 25 -12.952 -5.074 26.150 1.00 50.00 H new ATOM 0 HB3 GLU A 25 -12.248 -3.699 26.977 1.00 50.00 H new ATOM 0 HG2 GLU A 25 -14.587 -3.373 25.043 1.00 50.00 H new ATOM 0 HG3 GLU A 25 -14.843 -3.737 26.738 1.00 50.00 H new ATOM 388 N LYS A 26 -10.329 -2.248 25.901 1.00 50.00 N ATOM 389 CA LYS A 26 -9.592 -0.969 26.112 1.00 50.00 C ATOM 390 C LYS A 26 -8.745 -0.638 24.880 1.00 50.00 C ATOM 391 O LYS A 26 -8.395 0.501 24.644 1.00 50.00 O ATOM 392 CB LYS A 26 -8.696 -1.222 27.324 1.00 50.00 C ATOM 393 CG LYS A 26 -8.211 0.115 27.888 1.00 50.00 C ATOM 394 CD LYS A 26 -8.204 0.050 29.417 1.00 50.00 C ATOM 395 CE LYS A 26 -7.200 1.066 29.967 1.00 50.00 C ATOM 396 NZ LYS A 26 -7.792 1.527 31.254 1.00 50.00 N ATOM 0 H LYS A 26 -10.036 -3.022 26.498 1.00 50.00 H new ATOM 0 HA LYS A 26 -10.265 -0.127 26.272 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -9.246 -1.773 28.087 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -7.844 -1.838 27.037 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -7.210 0.336 27.518 1.00 50.00 H new ATOM 0 HG3 LYS A 26 -8.861 0.922 27.550 1.00 50.00 H new ATOM 0 HD2 LYS A 26 -9.200 0.261 29.805 1.00 50.00 H new ATOM 0 HD3 LYS A 26 -7.939 -0.954 29.748 1.00 50.00 H new ATOM 0 HE2 LYS A 26 -6.222 0.611 30.122 1.00 50.00 H new ATOM 0 HE3 LYS A 26 -7.059 1.897 29.276 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 -7.162 2.227 31.695 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 -8.720 1.961 31.074 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 -7.908 0.715 31.893 1.00 50.00 H new ATOM 410 N ALA A 27 -8.416 -1.625 24.093 1.00 50.00 N ATOM 411 CA ALA A 27 -7.594 -1.366 22.877 1.00 50.00 C ATOM 412 C ALA A 27 -8.341 -0.424 21.930 1.00 50.00 C ATOM 413 O ALA A 27 -7.757 0.447 21.316 1.00 50.00 O ATOM 414 CB ALA A 27 -7.401 -2.736 22.228 1.00 50.00 C ATOM 0 H ALA A 27 -8.681 -2.599 24.239 1.00 50.00 H new ATOM 0 HA ALA A 27 -6.642 -0.892 23.114 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -6.803 -2.629 21.323 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -6.889 -3.400 22.925 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -8.373 -3.158 21.973 1.00 50.00 H new ATOM 420 N ALA A 28 -9.628 -0.593 21.808 1.00 50.00 N ATOM 421 CA ALA A 28 -10.413 0.293 20.902 1.00 50.00 C ATOM 422 C ALA A 28 -10.233 1.755 21.315 1.00 50.00 C ATOM 423 O ALA A 28 -10.422 2.661 20.527 1.00 50.00 O ATOM 424 CB ALA A 28 -11.867 -0.143 21.083 1.00 50.00 C ATOM 0 H ALA A 28 -10.171 -1.306 22.296 1.00 50.00 H new ATOM 0 HA ALA A 28 -10.093 0.214 19.863 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -12.511 0.464 20.447 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -11.969 -1.192 20.807 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -12.159 -0.012 22.125 1.00 50.00 H new ATOM 430 N ASP A 29 -9.869 1.993 22.545 1.00 50.00 N ATOM 431 CA ASP A 29 -9.675 3.396 23.008 1.00 50.00 C ATOM 432 C ASP A 29 -8.221 3.824 22.796 1.00 50.00 C ATOM 433 O ASP A 29 -7.883 4.986 22.899 1.00 50.00 O ATOM 434 CB ASP A 29 -10.017 3.373 24.497 1.00 50.00 C ATOM 435 CG ASP A 29 -11.536 3.437 24.671 1.00 50.00 C ATOM 436 OD1 ASP A 29 -12.227 3.449 23.666 1.00 50.00 O ATOM 437 OD2 ASP A 29 -11.981 3.474 25.806 1.00 50.00 O ATOM 0 H ASP A 29 -9.697 1.276 23.250 1.00 50.00 H new ATOM 0 HA ASP A 29 -10.297 4.103 22.459 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -9.625 2.466 24.957 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -9.546 4.216 25.003 1.00 50.00 H new ATOM 442 N ALA A 30 -7.359 2.891 22.497 1.00 50.00 N ATOM 443 CA ALA A 30 -5.928 3.242 22.275 1.00 50.00 C ATOM 444 C ALA A 30 -5.703 3.620 20.809 1.00 50.00 C ATOM 445 O ALA A 30 -4.769 4.320 20.474 1.00 50.00 O ATOM 446 CB ALA A 30 -5.150 1.973 22.628 1.00 50.00 C ATOM 0 H ALA A 30 -7.584 1.901 22.397 1.00 50.00 H new ATOM 0 HA ALA A 30 -5.611 4.094 22.877 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -4.083 2.150 22.490 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -5.342 1.706 23.667 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -5.470 1.158 21.979 1.00 50.00 H new ATOM 452 N GLY A 31 -6.556 3.162 19.934 1.00 50.00 N ATOM 453 CA GLY A 31 -6.394 3.493 18.491 1.00 50.00 C ATOM 454 C GLY A 31 -5.051 2.955 17.992 1.00 50.00 C ATOM 455 O GLY A 31 -4.429 3.526 17.119 1.00 50.00 O ATOM 0 H GLY A 31 -7.358 2.573 20.157 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -7.210 3.058 17.913 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -6.442 4.572 18.347 1.00 50.00 H new ATOM 459 N LEU A 32 -4.600 1.860 18.540 1.00 50.00 N ATOM 460 CA LEU A 32 -3.298 1.285 18.095 1.00 50.00 C ATOM 461 C LEU A 32 -3.346 0.964 16.600 1.00 50.00 C ATOM 462 O LEU A 32 -4.292 1.297 15.913 1.00 50.00 O ATOM 463 CB LEU A 32 -3.132 0.003 18.909 1.00 50.00 C ATOM 464 CG LEU A 32 -2.428 0.323 20.229 1.00 50.00 C ATOM 465 CD1 LEU A 32 -2.604 -0.848 21.198 1.00 50.00 C ATOM 466 CD2 LEU A 32 -0.938 0.552 19.970 1.00 50.00 C ATOM 0 H LEU A 32 -5.076 1.339 19.276 1.00 50.00 H new ATOM 0 HA LEU A 32 -2.469 1.976 18.247 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -4.106 -0.445 19.104 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -2.553 -0.727 18.343 1.00 50.00 H new ATOM 0 HG LEU A 32 -2.863 1.223 20.664 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -2.103 -0.620 22.139 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -3.666 -1.011 21.383 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -2.169 -1.748 20.764 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -0.436 0.780 20.910 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -0.502 -0.347 19.535 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -0.813 1.387 19.280 1.00 50.00 H new ATOM 478 N ASP A 33 -2.334 0.317 16.092 1.00 50.00 N ATOM 479 CA ASP A 33 -2.322 -0.029 14.642 1.00 50.00 C ATOM 480 C ASP A 33 -3.412 -1.060 14.336 1.00 50.00 C ATOM 481 O ASP A 33 -3.643 -1.979 15.098 1.00 50.00 O ATOM 482 CB ASP A 33 -0.935 -0.621 14.388 1.00 50.00 C ATOM 483 CG ASP A 33 0.012 0.484 13.915 1.00 50.00 C ATOM 484 OD1 ASP A 33 0.369 1.320 14.729 1.00 50.00 O ATOM 485 OD2 ASP A 33 0.364 0.475 12.747 1.00 50.00 O ATOM 0 H ASP A 33 -1.515 0.013 16.618 1.00 50.00 H new ATOM 0 HA ASP A 33 -2.517 0.836 14.008 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -0.551 -1.079 15.300 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -0.996 -1.409 13.637 1.00 50.00 H new ATOM 490 N GLY A 34 -4.084 -0.916 13.227 1.00 50.00 N ATOM 491 CA GLY A 34 -5.156 -1.887 12.874 1.00 50.00 C ATOM 492 C GLY A 34 -4.548 -3.283 12.725 1.00 50.00 C ATOM 493 O GLY A 34 -5.215 -4.283 12.899 1.00 50.00 O ATOM 0 H GLY A 34 -3.936 -0.167 12.550 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -5.925 -1.894 13.647 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -5.641 -1.588 11.945 1.00 50.00 H new ATOM 497 N GLU A 35 -3.286 -3.359 12.405 1.00 50.00 N ATOM 498 CA GLU A 35 -2.636 -4.692 12.246 1.00 50.00 C ATOM 499 C GLU A 35 -2.355 -5.312 13.617 1.00 50.00 C ATOM 500 O GLU A 35 -1.778 -6.376 13.721 1.00 50.00 O ATOM 501 CB GLU A 35 -1.327 -4.408 11.509 1.00 50.00 C ATOM 502 CG GLU A 35 -1.542 -4.577 10.004 1.00 50.00 C ATOM 503 CD GLU A 35 -2.212 -3.323 9.440 1.00 50.00 C ATOM 504 OE1 GLU A 35 -1.584 -2.277 9.465 1.00 50.00 O ATOM 505 OE2 GLU A 35 -3.342 -3.429 8.992 1.00 50.00 O ATOM 0 H GLU A 35 -2.676 -2.557 12.247 1.00 50.00 H new ATOM 0 HA GLU A 35 -3.267 -5.396 11.703 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -0.987 -3.396 11.727 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -0.548 -5.088 11.854 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -0.587 -4.747 9.506 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -2.163 -5.452 9.811 1.00 50.00 H new ATOM 512 N ASP A 36 -2.755 -4.655 14.671 1.00 50.00 N ATOM 513 CA ASP A 36 -2.507 -5.208 16.033 1.00 50.00 C ATOM 514 C ASP A 36 -3.834 -5.522 16.728 1.00 50.00 C ATOM 515 O ASP A 36 -4.006 -6.576 17.309 1.00 50.00 O ATOM 516 CB ASP A 36 -1.761 -4.098 16.775 1.00 50.00 C ATOM 517 CG ASP A 36 -0.410 -3.850 16.099 1.00 50.00 C ATOM 518 OD1 ASP A 36 0.002 -4.691 15.318 1.00 50.00 O ATOM 519 OD2 ASP A 36 0.188 -2.823 16.374 1.00 50.00 O ATOM 0 H ASP A 36 -3.243 -3.759 14.648 1.00 50.00 H new ATOM 0 HA ASP A 36 -1.938 -6.137 16.006 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -2.354 -3.183 16.774 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -1.612 -4.380 17.817 1.00 50.00 H new ATOM 524 N TYR A 37 -4.772 -4.617 16.677 1.00 12.50 N ATOM 525 CA TYR A 37 -6.084 -4.870 17.340 1.00 12.50 C ATOM 526 C TYR A 37 -7.237 -4.512 16.397 1.00 12.50 C ATOM 527 O TYR A 37 -7.194 -3.519 15.699 1.00 12.50 O ATOM 528 CB TYR A 37 -6.090 -3.956 18.568 1.00 12.50 C ATOM 529 CG TYR A 37 -7.501 -3.825 19.094 1.00 12.50 C ATOM 530 CD1 TYR A 37 -8.051 -4.841 19.885 1.00 50.00 C ATOM 531 CD2 TYR A 37 -8.259 -2.689 18.787 1.00 50.00 C ATOM 532 CE1 TYR A 37 -9.359 -4.720 20.369 1.00 50.00 C ATOM 533 CE2 TYR A 37 -9.567 -2.568 19.271 1.00 50.00 C ATOM 534 CZ TYR A 37 -10.117 -3.583 20.062 1.00 12.50 C ATOM 535 OH TYR A 37 -11.407 -3.463 20.539 1.00 50.00 O ATOM 0 H TYR A 37 -4.688 -3.716 16.207 1.00 12.50 H new ATOM 0 HA TYR A 37 -6.213 -5.918 17.610 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -5.439 -4.364 19.341 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -5.696 -2.974 18.305 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -7.466 -5.718 20.122 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -7.835 -1.906 18.177 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -9.784 -5.503 20.979 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -10.152 -1.691 19.034 1.00 50.00 H new ATOM 0 HH TYR A 37 -11.629 -4.247 21.083 1.00 50.00 H new ATOM 545 N GLY A 38 -8.269 -5.311 16.378 1.00 10.00 N ATOM 546 CA GLY A 38 -9.425 -5.011 15.486 1.00 10.00 C ATOM 547 C GLY A 38 -10.389 -6.197 15.479 1.00 10.00 C ATOM 548 O GLY A 38 -10.062 -7.280 15.921 1.00 10.00 O ATOM 0 H GLY A 38 -8.362 -6.157 16.940 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -9.939 -4.114 15.830 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -9.074 -4.809 14.474 1.00 10.00 H new ATOM 552 N THR A 39 -11.578 -5.999 14.978 1.00 10.00 N ATOM 553 CA THR A 39 -12.567 -7.113 14.940 1.00 10.00 C ATOM 554 C THR A 39 -12.433 -7.890 13.628 1.00 10.00 C ATOM 555 O THR A 39 -12.689 -7.372 12.559 1.00 10.00 O ATOM 556 CB THR A 39 -13.933 -6.430 15.024 1.00 50.00 C ATOM 557 OG1 THR A 39 -13.831 -5.271 15.840 1.00 50.00 O ATOM 558 CG2 THR A 39 -14.954 -7.395 15.629 1.00 50.00 C ATOM 0 H THR A 39 -11.907 -5.113 14.593 1.00 10.00 H new ATOM 0 HA THR A 39 -12.419 -7.828 15.749 1.00 10.00 H new ATOM 0 HB THR A 39 -14.258 -6.144 14.024 1.00 50.00 H new ATOM 0 HG1 THR A 39 -13.731 -5.539 16.777 1.00 50.00 H new ATOM 0 HG21 THR A 39 -15.926 -6.906 15.688 1.00 50.00 H new ATOM 0 HG22 THR A 39 -15.032 -8.283 15.002 1.00 50.00 H new ATOM 0 HG23 THR A 39 -14.632 -7.685 16.629 1.00 50.00 H new ATOM 566 N MET A 40 -12.030 -9.127 13.701 1.00 10.00 N ATOM 567 CA MET A 40 -11.876 -9.935 12.459 1.00 10.00 C ATOM 568 C MET A 40 -13.183 -10.659 12.125 1.00 10.00 C ATOM 569 O MET A 40 -13.700 -11.424 12.915 1.00 10.00 O ATOM 570 CB MET A 40 -10.771 -10.941 12.780 1.00 10.00 C ATOM 571 CG MET A 40 -9.747 -10.950 11.644 1.00 10.00 C ATOM 572 SD MET A 40 -10.457 -11.779 10.200 1.00 12.50 S ATOM 573 CE MET A 40 -9.518 -13.319 10.340 1.00 50.00 C ATOM 0 H MET A 40 -11.800 -9.614 14.567 1.00 10.00 H new ATOM 0 HA MET A 40 -11.631 -9.318 11.594 1.00 10.00 H new ATOM 0 HB2 MET A 40 -10.286 -10.677 13.720 1.00 10.00 H new ATOM 0 HB3 MET A 40 -11.196 -11.936 12.909 1.00 10.00 H new ATOM 0 HG2 MET A 40 -9.463 -9.929 11.388 1.00 10.00 H new ATOM 0 HG3 MET A 40 -8.839 -11.463 11.962 1.00 10.00 H new ATOM 0 HE1 MET A 40 -9.384 -13.755 9.350 1.00 50.00 H new ATOM 0 HE2 MET A 40 -8.543 -13.112 10.780 1.00 50.00 H new ATOM 0 HE3 MET A 40 -10.061 -14.020 10.974 1.00 50.00 H new ATOM 583 N GLU A 41 -13.719 -10.426 10.958 1.00 10.00 N ATOM 584 CA GLU A 41 -14.989 -11.105 10.571 1.00 10.00 C ATOM 585 C GLU A 41 -14.690 -12.291 9.651 1.00 10.00 C ATOM 586 O GLU A 41 -14.188 -12.129 8.557 1.00 10.00 O ATOM 587 CB GLU A 41 -15.799 -10.041 9.830 1.00 10.00 C ATOM 588 CG GLU A 41 -17.010 -9.640 10.674 1.00 10.00 C ATOM 589 CD GLU A 41 -17.937 -8.749 9.846 1.00 12.50 C ATOM 590 OE1 GLU A 41 -17.440 -8.072 8.961 1.00 12.50 O ATOM 591 OE2 GLU A 41 -19.128 -8.759 10.110 1.00 12.50 O ATOM 0 H GLU A 41 -13.333 -9.795 10.256 1.00 10.00 H new ATOM 0 HA GLU A 41 -15.528 -11.498 11.433 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -15.177 -9.169 9.631 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -16.127 -10.426 8.864 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -17.545 -10.529 11.007 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -16.683 -9.111 11.569 1.00 10.00 H new ATOM 598 N VAL A 42 -14.990 -13.483 10.088 1.00 10.00 N ATOM 599 CA VAL A 42 -14.717 -14.678 9.238 1.00 10.00 C ATOM 600 C VAL A 42 -15.918 -15.626 9.252 1.00 10.00 C ATOM 601 O VAL A 42 -16.396 -16.022 10.296 1.00 10.00 O ATOM 602 CB VAL A 42 -13.500 -15.344 9.879 1.00 10.00 C ATOM 603 CG1 VAL A 42 -13.122 -16.593 9.080 1.00 10.00 C ATOM 604 CG2 VAL A 42 -12.325 -14.364 9.881 1.00 10.00 C ATOM 0 H VAL A 42 -15.412 -13.682 10.995 1.00 10.00 H new ATOM 0 HA VAL A 42 -14.538 -14.413 8.196 1.00 10.00 H new ATOM 0 HB VAL A 42 -13.738 -15.627 10.904 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -12.254 -17.068 9.537 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -13.959 -17.291 9.078 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -12.883 -16.311 8.055 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -11.456 -14.838 10.338 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -12.086 -14.080 8.856 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -12.594 -13.474 10.450 1.00 10.00 H new ATOM 614 N ALA A 43 -16.408 -15.994 8.099 1.00 10.00 N ATOM 615 CA ALA A 43 -17.579 -16.918 8.047 1.00 10.00 C ATOM 616 C ALA A 43 -17.126 -18.363 8.273 1.00 10.00 C ATOM 617 O ALA A 43 -15.949 -18.663 8.271 1.00 10.00 O ATOM 618 CB ALA A 43 -18.151 -16.751 6.639 1.00 50.00 C ATOM 0 H ALA A 43 -16.049 -15.696 7.192 1.00 10.00 H new ATOM 0 HA ALA A 43 -18.316 -16.693 8.818 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -19.019 -17.400 6.520 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -18.450 -15.714 6.488 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -17.393 -17.021 5.904 1.00 50.00 H new ATOM 624 N GLU A 44 -18.054 -19.261 8.465 1.00 10.00 N ATOM 625 CA GLU A 44 -17.677 -20.686 8.689 1.00 10.00 C ATOM 626 C GLU A 44 -17.087 -21.283 7.409 1.00 10.00 C ATOM 627 O GLU A 44 -17.710 -21.282 6.366 1.00 10.00 O ATOM 628 CB GLU A 44 -18.984 -21.390 9.057 1.00 10.00 C ATOM 629 CG GLU A 44 -18.671 -22.746 9.694 1.00 10.00 C ATOM 630 CD GLU A 44 -17.808 -22.537 10.940 1.00 25.00 C ATOM 631 OE1 GLU A 44 -18.332 -22.040 11.923 1.00 25.00 O ATOM 632 OE2 GLU A 44 -16.638 -22.879 10.890 1.00 25.00 O ATOM 0 H GLU A 44 -19.056 -19.070 8.476 1.00 10.00 H new ATOM 0 HA GLU A 44 -16.923 -20.796 9.468 1.00 10.00 H new ATOM 0 HB2 GLU A 44 -19.558 -20.775 9.750 1.00 10.00 H new ATOM 0 HB3 GLU A 44 -19.599 -21.527 8.167 1.00 10.00 H new ATOM 0 HG2 GLU A 44 -19.596 -23.257 9.961 1.00 10.00 H new ATOM 0 HG3 GLU A 44 -18.150 -23.384 8.980 1.00 10.00 H new ATOM 639 N GLY A 45 -15.888 -21.792 7.481 1.00 10.00 N ATOM 640 CA GLY A 45 -15.256 -22.387 6.270 1.00 10.00 C ATOM 641 C GLY A 45 -14.200 -21.425 5.721 1.00 10.00 C ATOM 642 O GLY A 45 -13.537 -21.709 4.744 1.00 10.00 O ATOM 0 H GLY A 45 -15.318 -21.822 8.327 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -14.797 -23.344 6.519 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -16.013 -22.584 5.511 1.00 10.00 H new ATOM 646 N GLU A 46 -14.038 -20.287 6.343 1.00 10.00 N ATOM 647 CA GLU A 46 -13.024 -19.309 5.855 1.00 10.00 C ATOM 648 C GLU A 46 -11.811 -19.298 6.789 1.00 10.00 C ATOM 649 O GLU A 46 -11.945 -19.227 7.995 1.00 10.00 O ATOM 650 CB GLU A 46 -13.735 -17.955 5.882 1.00 10.00 C ATOM 651 CG GLU A 46 -14.825 -17.928 4.808 1.00 10.00 C ATOM 652 CD GLU A 46 -14.416 -16.968 3.688 1.00 10.00 C ATOM 653 OE1 GLU A 46 -13.294 -16.491 3.723 1.00 10.00 O ATOM 654 OE2 GLU A 46 -15.233 -16.726 2.815 1.00 10.00 O ATOM 0 H GLU A 46 -14.563 -19.994 7.166 1.00 10.00 H new ATOM 0 HA GLU A 46 -12.656 -19.556 4.859 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -14.174 -17.783 6.865 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -13.018 -17.153 5.708 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -14.978 -18.929 4.405 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -15.772 -17.612 5.244 1.00 10.00 H new ATOM 661 N TYR A 47 -10.628 -19.369 6.243 1.00 10.00 N ATOM 662 CA TYR A 47 -9.409 -19.365 7.103 1.00 10.00 C ATOM 663 C TYR A 47 -9.188 -17.975 7.705 1.00 10.00 C ATOM 664 O TYR A 47 -9.303 -16.969 7.033 1.00 10.00 O ATOM 665 CB TYR A 47 -8.262 -19.735 6.163 1.00 10.00 C ATOM 666 CG TYR A 47 -8.257 -21.229 5.949 1.00 10.00 C ATOM 667 CD1 TYR A 47 -8.351 -22.092 7.047 1.00 10.00 C ATOM 668 CD2 TYR A 47 -8.162 -21.752 4.654 1.00 10.00 C ATOM 669 CE1 TYR A 47 -8.351 -23.478 6.851 1.00 10.00 C ATOM 670 CE2 TYR A 47 -8.161 -23.138 4.457 1.00 10.00 C ATOM 671 CZ TYR A 47 -8.255 -24.001 5.556 1.00 10.00 C ATOM 672 OH TYR A 47 -8.256 -25.367 5.362 1.00 10.00 O ATOM 0 H TYR A 47 -10.452 -19.430 5.240 1.00 10.00 H new ATOM 0 HA TYR A 47 -9.490 -20.060 7.939 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -8.377 -19.220 5.209 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -7.311 -19.413 6.587 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -8.424 -21.688 8.046 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -8.089 -21.086 3.807 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -8.425 -24.144 7.698 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -8.088 -23.542 3.458 1.00 10.00 H new ATOM 0 HH TYR A 47 -8.184 -25.561 4.404 1.00 10.00 H new ATOM 682 N ILE A 48 -8.873 -17.912 8.971 1.00 10.00 N ATOM 683 CA ILE A 48 -8.646 -16.588 9.619 1.00 10.00 C ATOM 684 C ILE A 48 -7.588 -15.792 8.849 1.00 10.00 C ATOM 685 O ILE A 48 -7.884 -14.803 8.209 1.00 10.00 O ATOM 686 CB ILE A 48 -8.147 -16.916 11.026 1.00 10.00 C ATOM 687 CG1 ILE A 48 -9.197 -17.754 11.760 1.00 10.00 C ATOM 688 CG2 ILE A 48 -7.904 -15.617 11.796 1.00 10.00 C ATOM 689 CD1 ILE A 48 -8.503 -18.682 12.758 1.00 10.00 C ATOM 0 H ILE A 48 -8.763 -18.720 9.584 1.00 10.00 H new ATOM 0 HA ILE A 48 -9.550 -15.979 9.636 1.00 10.00 H new ATOM 0 HB ILE A 48 -7.216 -17.479 10.958 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -9.899 -17.102 12.281 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -9.776 -18.339 11.045 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -7.548 -15.850 12.800 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -7.156 -15.020 11.275 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -8.835 -15.054 11.863 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -9.251 -19.279 13.281 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -7.819 -19.343 12.225 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -7.944 -18.087 13.480 1.00 10.00 H new ATOM 701 N LEU A 49 -6.355 -16.216 8.910 1.00 10.00 N ATOM 702 CA LEU A 49 -5.274 -15.485 8.187 1.00 10.00 C ATOM 703 C LEU A 49 -5.743 -15.082 6.785 1.00 10.00 C ATOM 704 O LEU A 49 -5.256 -14.130 6.208 1.00 10.00 O ATOM 705 CB LEU A 49 -4.116 -16.480 8.100 1.00 10.00 C ATOM 706 CG LEU A 49 -3.083 -15.975 7.091 1.00 10.00 C ATOM 707 CD1 LEU A 49 -1.675 -16.249 7.623 1.00 10.00 C ATOM 708 CD2 LEU A 49 -3.273 -16.703 5.759 1.00 10.00 C ATOM 0 H LEU A 49 -6.049 -17.038 9.430 1.00 10.00 H new ATOM 0 HA LEU A 49 -4.988 -14.566 8.697 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -3.654 -16.602 9.079 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -4.486 -17.460 7.798 1.00 10.00 H new ATOM 0 HG LEU A 49 -3.215 -14.903 6.942 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -0.938 -15.889 6.905 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -1.538 -15.732 8.573 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -1.544 -17.321 7.771 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -2.537 -16.343 5.040 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -3.141 -17.775 5.908 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -4.276 -16.510 5.379 1.00 10.00 H new ATOM 720 N GLU A 50 -6.680 -15.801 6.230 1.00 10.00 N ATOM 721 CA GLU A 50 -7.174 -15.459 4.864 1.00 10.00 C ATOM 722 C GLU A 50 -8.172 -14.297 4.931 1.00 10.00 C ATOM 723 O GLU A 50 -8.036 -13.308 4.237 1.00 10.00 O ATOM 724 CB GLU A 50 -7.865 -16.730 4.367 1.00 10.00 C ATOM 725 CG GLU A 50 -6.866 -17.585 3.587 1.00 10.00 C ATOM 726 CD GLU A 50 -6.723 -17.037 2.165 1.00 50.00 C ATOM 727 OE1 GLU A 50 -7.424 -16.091 1.843 1.00 50.00 O ATOM 728 OE2 GLU A 50 -5.916 -17.572 1.423 1.00 50.00 O ATOM 0 H GLU A 50 -7.125 -16.610 6.662 1.00 10.00 H new ATOM 0 HA GLU A 50 -6.368 -15.143 4.202 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -8.261 -17.295 5.211 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.712 -16.471 3.731 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -5.898 -17.580 4.089 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -7.204 -18.621 3.556 1.00 10.00 H new ATOM 735 N ALA A 51 -9.178 -14.413 5.754 1.00 10.00 N ATOM 736 CA ALA A 51 -10.189 -13.322 5.859 1.00 10.00 C ATOM 737 C ALA A 51 -9.539 -12.023 6.340 1.00 10.00 C ATOM 738 O ALA A 51 -9.884 -10.945 5.901 1.00 10.00 O ATOM 739 CB ALA A 51 -11.208 -13.823 6.883 1.00 12.50 C ATOM 0 H ALA A 51 -9.344 -15.217 6.359 1.00 10.00 H new ATOM 0 HA ALA A 51 -10.649 -13.100 4.896 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -11.988 -13.073 7.017 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -11.654 -14.752 6.528 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -10.709 -14.001 7.836 1.00 12.50 H new ATOM 745 N ALA A 52 -8.606 -12.118 7.241 1.00 10.00 N ATOM 746 CA ALA A 52 -7.938 -10.885 7.753 1.00 10.00 C ATOM 747 C ALA A 52 -6.921 -10.373 6.735 1.00 10.00 C ATOM 748 O ALA A 52 -6.705 -9.185 6.600 1.00 10.00 O ATOM 749 CB ALA A 52 -7.241 -11.315 9.044 1.00 10.00 C ATOM 0 H ALA A 52 -8.275 -12.993 7.647 1.00 10.00 H new ATOM 0 HA ALA A 52 -8.646 -10.075 7.926 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -6.726 -10.460 9.481 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -7.982 -11.692 9.749 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -6.518 -12.100 8.823 1.00 10.00 H new ATOM 755 N GLU A 53 -6.297 -11.260 6.015 1.00 10.00 N ATOM 756 CA GLU A 53 -5.296 -10.825 5.001 1.00 10.00 C ATOM 757 C GLU A 53 -5.988 -10.029 3.893 1.00 10.00 C ATOM 758 O GLU A 53 -5.400 -9.164 3.275 1.00 10.00 O ATOM 759 CB GLU A 53 -4.705 -12.121 4.446 1.00 10.00 C ATOM 760 CG GLU A 53 -3.772 -11.797 3.278 1.00 10.00 C ATOM 761 CD GLU A 53 -2.450 -12.545 3.461 1.00 10.00 C ATOM 762 OE1 GLU A 53 -2.492 -13.755 3.611 1.00 10.00 O ATOM 763 OE2 GLU A 53 -1.417 -11.895 3.448 1.00 10.00 O ATOM 0 H GLU A 53 -6.436 -12.268 6.084 1.00 10.00 H new ATOM 0 HA GLU A 53 -4.527 -10.179 5.425 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -4.157 -12.647 5.228 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -5.504 -12.785 4.114 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -4.238 -12.085 2.335 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -3.591 -10.723 3.230 1.00 10.00 H new ATOM 770 N ALA A 54 -7.235 -10.315 3.643 1.00 10.00 N ATOM 771 CA ALA A 54 -7.972 -9.575 2.579 1.00 10.00 C ATOM 772 C ALA A 54 -8.347 -8.175 3.075 1.00 10.00 C ATOM 773 O ALA A 54 -8.813 -7.344 2.322 1.00 10.00 O ATOM 774 CB ALA A 54 -9.228 -10.406 2.316 1.00 50.00 C ATOM 0 H ALA A 54 -7.777 -11.029 4.129 1.00 10.00 H new ATOM 0 HA ALA A 54 -7.375 -9.444 1.676 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -9.826 -9.926 1.542 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -8.941 -11.405 1.986 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -9.813 -10.481 3.233 1.00 50.00 H new ATOM 780 N GLN A 55 -8.148 -7.909 4.338 1.00 10.00 N ATOM 781 CA GLN A 55 -8.495 -6.564 4.880 1.00 10.00 C ATOM 782 C GLN A 55 -7.229 -5.722 5.069 1.00 10.00 C ATOM 783 O GLN A 55 -7.267 -4.509 5.012 1.00 10.00 O ATOM 784 CB GLN A 55 -9.164 -6.841 6.226 1.00 10.00 C ATOM 785 CG GLN A 55 -10.305 -7.841 6.031 1.00 10.00 C ATOM 786 CD GLN A 55 -11.209 -7.369 4.890 1.00 10.00 C ATOM 787 OE1 GLN A 55 -11.353 -6.090 4.675 1.00 10.00 O flip ATOM 788 NE2 GLN A 55 -11.791 -8.172 4.189 1.00 10.00 N flip ATOM 0 H GLN A 55 -7.761 -8.564 5.017 1.00 10.00 H new ATOM 0 HA GLN A 55 -9.146 -6.004 4.209 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -8.435 -7.238 6.932 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.547 -5.914 6.652 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -9.902 -8.829 5.805 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -10.882 -7.935 6.951 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -11.678 -9.172 4.357 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -12.392 -7.847 3.432 1.00 10.00 H new ATOM 797 N GLY A 56 -6.106 -6.352 5.290 1.00 10.00 N ATOM 798 CA GLY A 56 -4.845 -5.577 5.476 1.00 10.00 C ATOM 799 C GLY A 56 -4.097 -6.085 6.713 1.00 10.00 C ATOM 800 O GLY A 56 -3.060 -5.565 7.076 1.00 10.00 O ATOM 0 H GLY A 56 -6.007 -7.365 5.350 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -4.214 -5.676 4.593 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -5.073 -4.517 5.588 1.00 10.00 H new ATOM 804 N TYR A 57 -4.609 -7.093 7.365 1.00 10.00 N ATOM 805 CA TYR A 57 -3.920 -7.624 8.577 1.00 10.00 C ATOM 806 C TYR A 57 -2.714 -8.477 8.172 1.00 10.00 C ATOM 807 O TYR A 57 -2.676 -9.044 7.098 1.00 10.00 O ATOM 808 CB TYR A 57 -4.970 -8.479 9.284 1.00 10.00 C ATOM 809 CG TYR A 57 -6.108 -7.602 9.739 1.00 10.00 C ATOM 810 CD1 TYR A 57 -5.842 -6.369 10.344 1.00 10.00 C ATOM 811 CD2 TYR A 57 -7.430 -8.023 9.556 1.00 10.00 C ATOM 812 CE1 TYR A 57 -6.898 -5.555 10.766 1.00 12.50 C ATOM 813 CE2 TYR A 57 -8.487 -7.209 9.978 1.00 12.50 C ATOM 814 CZ TYR A 57 -8.222 -5.975 10.584 1.00 12.50 C ATOM 815 OH TYR A 57 -9.264 -5.172 10.999 1.00 12.50 O ATOM 0 H TYR A 57 -5.473 -7.572 7.112 1.00 10.00 H new ATOM 0 HA TYR A 57 -3.542 -6.829 9.219 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -5.339 -9.252 8.610 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -4.525 -8.988 10.139 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -4.821 -6.046 10.485 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -7.634 -8.975 9.089 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -6.693 -4.603 11.232 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -9.508 -7.533 9.836 1.00 12.50 H new ATOM 0 HH TYR A 57 -9.054 -4.791 11.877 1.00 12.50 H new ATOM 825 N ASP A 58 -1.727 -8.573 9.024 1.00 10.00 N ATOM 826 CA ASP A 58 -0.524 -9.388 8.686 1.00 10.00 C ATOM 827 C ASP A 58 -0.330 -10.508 9.714 1.00 10.00 C ATOM 828 O ASP A 58 -0.459 -10.300 10.904 1.00 10.00 O ATOM 829 CB ASP A 58 0.648 -8.405 8.741 1.00 10.00 C ATOM 830 CG ASP A 58 0.954 -8.057 10.199 1.00 10.00 C ATOM 831 OD1 ASP A 58 1.758 -8.752 10.797 1.00 10.00 O ATOM 832 OD2 ASP A 58 0.380 -7.100 10.692 1.00 10.00 O ATOM 0 H ASP A 58 -1.702 -8.122 9.939 1.00 10.00 H new ATOM 0 HA ASP A 58 -0.614 -9.866 7.711 1.00 10.00 H new ATOM 0 HB2 ASP A 58 1.527 -8.844 8.269 1.00 10.00 H new ATOM 0 HB3 ASP A 58 0.404 -7.501 8.184 1.00 10.00 H new ATOM 837 N TRP A 59 -0.016 -11.693 9.264 1.00 10.00 N ATOM 838 CA TRP A 59 0.192 -12.824 10.216 1.00 10.00 C ATOM 839 C TRP A 59 1.441 -13.616 9.828 1.00 10.00 C ATOM 840 O TRP A 59 1.782 -13.705 8.665 1.00 10.00 O ATOM 841 CB TRP A 59 -1.048 -13.709 10.073 1.00 10.00 C ATOM 842 CG TRP A 59 -2.280 -12.871 10.165 1.00 10.00 C ATOM 843 CD1 TRP A 59 -2.676 -11.974 9.236 1.00 10.00 C ATOM 844 CD2 TRP A 59 -3.283 -12.841 11.220 1.00 10.00 C ATOM 845 NE1 TRP A 59 -3.857 -11.392 9.654 1.00 50.00 N ATOM 846 CE2 TRP A 59 -4.272 -11.892 10.872 1.00 50.00 C ATOM 847 CE3 TRP A 59 -3.430 -13.536 12.433 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -5.367 -11.640 11.697 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -4.532 -13.286 13.267 1.00 50.00 C ATOM 850 CH2 TRP A 59 -5.499 -12.339 12.900 1.00 50.00 C ATOM 0 H TRP A 59 0.106 -11.928 8.279 1.00 10.00 H new ATOM 0 HA TRP A 59 0.330 -12.472 11.238 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -1.024 -14.233 9.118 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -1.055 -14.470 10.854 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -2.155 -11.749 8.317 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -4.361 -10.679 9.127 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -2.691 -14.267 12.726 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -6.108 -10.910 11.408 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -4.635 -13.826 14.196 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -6.344 -12.150 13.546 1.00 50.00 H new ATOM 861 N PRO A 60 2.074 -14.181 10.818 1.00 10.00 N ATOM 862 CA PRO A 60 3.287 -14.992 10.573 1.00 10.00 C ATOM 863 C PRO A 60 2.891 -16.325 9.934 1.00 10.00 C ATOM 864 O PRO A 60 1.919 -16.943 10.322 1.00 10.00 O ATOM 865 CB PRO A 60 3.870 -15.198 11.968 1.00 10.00 C ATOM 866 CG PRO A 60 2.708 -15.054 12.900 1.00 10.00 C ATOM 867 CD PRO A 60 1.723 -14.120 12.242 1.00 10.00 C ATOM 0 HA PRO A 60 4.000 -14.523 9.895 1.00 10.00 H new ATOM 0 HB2 PRO A 60 4.331 -16.181 12.062 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.643 -14.461 12.185 1.00 10.00 H new ATOM 0 HG2 PRO A 60 2.248 -16.023 13.095 1.00 10.00 H new ATOM 0 HG3 PRO A 60 3.033 -14.656 13.861 1.00 10.00 H new ATOM 0 HD2 PRO A 60 0.695 -14.438 12.414 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.812 -13.106 12.632 1.00 10.00 H new ATOM 875 N PHE A 61 3.625 -16.772 8.953 1.00 10.00 N ATOM 876 CA PHE A 61 3.273 -18.061 8.293 1.00 10.00 C ATOM 877 C PHE A 61 4.491 -18.640 7.573 1.00 10.00 C ATOM 878 O PHE A 61 5.345 -17.919 7.096 1.00 10.00 O ATOM 879 CB PHE A 61 2.178 -17.702 7.288 1.00 10.00 C ATOM 880 CG PHE A 61 2.766 -16.847 6.190 1.00 10.00 C ATOM 881 CD1 PHE A 61 3.547 -17.434 5.187 1.00 10.00 C ATOM 882 CD2 PHE A 61 2.530 -15.467 6.176 1.00 10.00 C ATOM 883 CE1 PHE A 61 4.091 -16.641 4.169 1.00 10.00 C ATOM 884 CE2 PHE A 61 3.074 -14.675 5.158 1.00 10.00 C ATOM 885 CZ PHE A 61 3.855 -15.261 4.155 1.00 10.00 C ATOM 0 H PHE A 61 4.451 -16.303 8.581 1.00 10.00 H new ATOM 0 HA PHE A 61 2.942 -18.814 9.009 1.00 10.00 H new ATOM 0 HB2 PHE A 61 1.745 -18.609 6.866 1.00 10.00 H new ATOM 0 HB3 PHE A 61 1.371 -17.167 7.788 1.00 10.00 H new ATOM 0 HD1 PHE A 61 3.730 -18.498 5.198 1.00 10.00 H new ATOM 0 HD2 PHE A 61 1.929 -15.014 6.950 1.00 10.00 H new ATOM 0 HE1 PHE A 61 4.693 -17.094 3.395 1.00 10.00 H new ATOM 0 HE2 PHE A 61 2.891 -13.611 5.146 1.00 10.00 H new ATOM 0 HZ PHE A 61 4.275 -14.649 3.371 1.00 10.00 H new ATOM 895 N SER A 62 4.578 -19.938 7.496 1.00 10.00 N ATOM 896 CA SER A 62 5.742 -20.568 6.813 1.00 10.00 C ATOM 897 C SER A 62 5.302 -21.833 6.072 1.00 10.00 C ATOM 898 O SER A 62 5.479 -21.958 4.876 1.00 10.00 O ATOM 899 CB SER A 62 6.717 -20.918 7.937 1.00 10.00 C ATOM 900 OG SER A 62 7.399 -19.744 8.354 1.00 10.00 O ATOM 0 H SER A 62 3.893 -20.591 7.877 1.00 10.00 H new ATOM 0 HA SER A 62 6.192 -19.908 6.072 1.00 10.00 H new ATOM 0 HB2 SER A 62 6.178 -21.356 8.777 1.00 10.00 H new ATOM 0 HB3 SER A 62 7.433 -21.665 7.593 1.00 10.00 H new ATOM 0 HG SER A 62 7.590 -19.800 9.314 1.00 10.00 H new ATOM 906 N CYS A 63 4.744 -22.779 6.778 1.00 10.00 N ATOM 907 CA CYS A 63 4.310 -24.045 6.122 1.00 10.00 C ATOM 908 C CYS A 63 2.947 -23.864 5.416 1.00 10.00 C ATOM 909 O CYS A 63 2.728 -24.387 4.342 1.00 10.00 O ATOM 910 CB CYS A 63 4.267 -25.073 7.267 1.00 10.00 C ATOM 911 SG CYS A 63 2.637 -25.122 8.052 1.00 10.00 S ATOM 0 H CYS A 63 4.570 -22.729 7.782 1.00 10.00 H new ATOM 0 HA CYS A 63 4.984 -24.370 5.330 1.00 10.00 H new ATOM 0 HB2 CYS A 63 4.516 -26.061 6.880 1.00 10.00 H new ATOM 0 HB3 CYS A 63 5.023 -24.823 8.011 1.00 10.00 H new ATOM 916 N ARG A 64 2.047 -23.108 5.991 1.00 10.00 N ATOM 917 CA ARG A 64 0.718 -22.873 5.328 1.00 10.00 C ATOM 918 C ARG A 64 -0.046 -24.185 5.086 1.00 10.00 C ATOM 919 O ARG A 64 -0.819 -24.300 4.155 1.00 10.00 O ATOM 920 CB ARG A 64 1.064 -22.211 3.993 1.00 10.00 C ATOM 921 CG ARG A 64 2.051 -21.068 4.231 1.00 10.00 C ATOM 922 CD ARG A 64 1.848 -19.987 3.166 1.00 10.00 C ATOM 923 NE ARG A 64 0.588 -19.296 3.561 1.00 10.00 N ATOM 924 CZ ARG A 64 0.377 -18.062 3.190 1.00 10.00 C ATOM 925 NH1 ARG A 64 0.365 -17.755 1.922 1.00 10.00 N ATOM 926 NH2 ARG A 64 0.178 -17.136 4.088 1.00 10.00 N ATOM 0 H ARG A 64 2.170 -22.642 6.890 1.00 10.00 H new ATOM 0 HA ARG A 64 0.068 -22.261 5.953 1.00 10.00 H new ATOM 0 HB2 ARG A 64 1.498 -22.944 3.313 1.00 10.00 H new ATOM 0 HB3 ARG A 64 0.159 -21.831 3.518 1.00 10.00 H new ATOM 0 HG2 ARG A 64 1.902 -20.646 5.225 1.00 10.00 H new ATOM 0 HG3 ARG A 64 3.074 -21.443 4.193 1.00 10.00 H new ATOM 0 HD2 ARG A 64 2.689 -19.293 3.141 1.00 10.00 H new ATOM 0 HD3 ARG A 64 1.765 -20.423 2.170 1.00 10.00 H new ATOM 0 HE ARG A 64 -0.109 -19.787 4.121 1.00 10.00 H new ATOM 0 HH11 ARG A 64 0.520 -18.479 1.220 1.00 10.00 H new ATOM 0 HH12 ARG A 64 0.200 -16.791 1.632 1.00 10.00 H new ATOM 0 HH21 ARG A 64 0.187 -17.376 5.079 1.00 10.00 H new ATOM 0 HH22 ARG A 64 0.013 -16.172 3.799 1.00 10.00 H new ATOM 940 N ALA A 65 0.155 -25.162 5.918 1.00 10.00 N ATOM 941 CA ALA A 65 -0.559 -26.460 5.756 1.00 10.00 C ATOM 942 C ALA A 65 -1.019 -26.987 7.123 1.00 10.00 C ATOM 943 O ALA A 65 -1.580 -28.060 7.225 1.00 10.00 O ATOM 944 CB ALA A 65 0.471 -27.405 5.136 1.00 10.00 C ATOM 0 H ALA A 65 0.791 -25.119 6.714 1.00 10.00 H new ATOM 0 HA ALA A 65 -1.450 -26.366 5.136 1.00 10.00 H new ATOM 0 HB1 ALA A 65 0.020 -28.386 4.985 1.00 10.00 H new ATOM 0 HB2 ALA A 65 0.801 -27.005 4.177 1.00 10.00 H new ATOM 0 HB3 ALA A 65 1.327 -27.498 5.804 1.00 10.00 H new ATOM 950 N GLY A 66 -0.785 -26.245 8.177 1.00 10.00 N ATOM 951 CA GLY A 66 -1.211 -26.715 9.527 1.00 10.00 C ATOM 952 C GLY A 66 -0.234 -27.781 10.034 1.00 10.00 C ATOM 953 O GLY A 66 -0.627 -28.752 10.650 1.00 10.00 O ATOM 0 H GLY A 66 -0.319 -25.338 8.159 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -1.242 -25.876 10.222 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -2.220 -27.126 9.478 1.00 10.00 H new ATOM 957 N ALA A 67 1.036 -27.614 9.775 1.00 10.00 N ATOM 958 CA ALA A 67 2.033 -28.625 10.238 1.00 10.00 C ATOM 959 C ALA A 67 3.134 -27.962 11.078 1.00 10.00 C ATOM 960 O ALA A 67 4.093 -28.598 11.469 1.00 10.00 O ATOM 961 CB ALA A 67 2.621 -29.212 8.955 1.00 10.00 C ATOM 0 H ALA A 67 1.426 -26.822 9.264 1.00 10.00 H new ATOM 0 HA ALA A 67 1.577 -29.386 10.871 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.366 -29.967 9.208 1.00 10.00 H new ATOM 0 HB2 ALA A 67 1.826 -29.670 8.367 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.091 -28.419 8.374 1.00 10.00 H new ATOM 967 N CYS A 68 3.003 -26.694 11.365 1.00 10.00 N ATOM 968 CA CYS A 68 4.041 -26.003 12.189 1.00 10.00 C ATOM 969 C CYS A 68 3.370 -25.007 13.152 1.00 10.00 C ATOM 970 O CYS A 68 2.162 -24.972 13.269 1.00 10.00 O ATOM 971 CB CYS A 68 4.971 -25.312 11.173 1.00 10.00 C ATOM 972 SG CYS A 68 4.414 -23.628 10.799 1.00 10.00 S ATOM 0 H CYS A 68 2.224 -26.107 11.066 1.00 10.00 H new ATOM 0 HA CYS A 68 4.609 -26.686 12.820 1.00 10.00 H new ATOM 0 HB2 CYS A 68 5.986 -25.281 11.570 1.00 10.00 H new ATOM 0 HB3 CYS A 68 5.006 -25.897 10.254 1.00 10.00 H new ATOM 977 N ALA A 69 4.137 -24.216 13.859 1.00 10.00 N ATOM 978 CA ALA A 69 3.515 -23.255 14.825 1.00 10.00 C ATOM 979 C ALA A 69 3.969 -21.813 14.560 1.00 10.00 C ATOM 980 O ALA A 69 3.740 -20.928 15.362 1.00 10.00 O ATOM 981 CB ALA A 69 3.996 -23.719 16.199 1.00 25.00 C ATOM 0 H ALA A 69 5.156 -24.192 13.812 1.00 10.00 H new ATOM 0 HA ALA A 69 2.428 -23.249 14.738 1.00 10.00 H new ATOM 0 HB1 ALA A 69 3.584 -23.066 16.968 1.00 25.00 H new ATOM 0 HB2 ALA A 69 3.663 -24.742 16.375 1.00 25.00 H new ATOM 0 HB3 ALA A 69 5.085 -23.681 16.235 1.00 25.00 H new ATOM 987 N ASN A 70 4.603 -21.563 13.451 1.00 10.00 N ATOM 988 CA ASN A 70 5.060 -20.175 13.150 1.00 10.00 C ATOM 989 C ASN A 70 3.867 -19.212 13.163 1.00 10.00 C ATOM 990 O ASN A 70 3.968 -18.088 13.612 1.00 10.00 O ATOM 991 CB ASN A 70 5.669 -20.254 11.750 1.00 50.00 C ATOM 992 CG ASN A 70 7.179 -20.472 11.861 1.00 50.00 C ATOM 993 OD1 ASN A 70 7.948 -19.836 11.168 1.00 50.00 O ATOM 994 ND2 ASN A 70 7.639 -21.351 12.709 1.00 50.00 N ATOM 0 H ASN A 70 4.826 -22.258 12.738 1.00 10.00 H new ATOM 0 HA ASN A 70 5.775 -19.806 13.885 1.00 10.00 H new ATOM 0 HB2 ASN A 70 5.213 -21.070 11.189 1.00 50.00 H new ATOM 0 HB3 ASN A 70 5.463 -19.336 11.200 1.00 50.00 H new ATOM 0 HD21 ASN A 70 8.644 -21.504 12.790 1.00 50.00 H new ATOM 0 HD22 ASN A 70 6.993 -21.885 13.291 1.00 50.00 H new ATOM 1001 N CYS A 71 2.737 -19.649 12.677 1.00 10.00 N ATOM 1002 CA CYS A 71 1.534 -18.766 12.665 1.00 10.00 C ATOM 1003 C CYS A 71 0.780 -18.896 13.994 1.00 10.00 C ATOM 1004 O CYS A 71 -0.352 -18.475 14.127 1.00 10.00 O ATOM 1005 CB CYS A 71 0.681 -19.284 11.504 1.00 10.00 C ATOM 1006 SG CYS A 71 -0.017 -20.896 11.940 1.00 10.00 S ATOM 0 H CYS A 71 2.594 -20.581 12.287 1.00 10.00 H new ATOM 0 HA CYS A 71 1.786 -17.712 12.544 1.00 10.00 H new ATOM 0 HB2 CYS A 71 -0.119 -18.577 11.283 1.00 10.00 H new ATOM 0 HB3 CYS A 71 1.288 -19.370 10.603 1.00 10.00 H new ATOM 1011 N ALA A 72 1.405 -19.494 14.972 1.00 10.00 N ATOM 1012 CA ALA A 72 0.746 -19.682 16.299 1.00 10.00 C ATOM 1013 C ALA A 72 0.025 -18.408 16.759 1.00 10.00 C ATOM 1014 O ALA A 72 0.404 -17.301 16.426 1.00 10.00 O ATOM 1015 CB ALA A 72 1.888 -20.020 17.256 1.00 10.00 C ATOM 0 H ALA A 72 2.353 -19.864 14.909 1.00 10.00 H new ATOM 0 HA ALA A 72 -0.016 -20.461 16.259 1.00 10.00 H new ATOM 0 HB1 ALA A 72 1.489 -20.174 18.259 1.00 10.00 H new ATOM 0 HB2 ALA A 72 2.387 -20.929 16.920 1.00 10.00 H new ATOM 0 HB3 ALA A 72 2.604 -19.198 17.273 1.00 10.00 H new ATOM 1021 N SER A 73 -1.011 -18.573 17.540 1.00 10.00 N ATOM 1022 CA SER A 73 -1.778 -17.402 18.059 1.00 10.00 C ATOM 1023 C SER A 73 -2.140 -17.642 19.525 1.00 10.00 C ATOM 1024 O SER A 73 -1.562 -18.483 20.182 1.00 10.00 O ATOM 1025 CB SER A 73 -3.040 -17.340 17.197 1.00 50.00 C ATOM 1026 OG SER A 73 -2.686 -17.470 15.828 1.00 50.00 O ATOM 0 H SER A 73 -1.362 -19.481 17.844 1.00 10.00 H new ATOM 0 HA SER A 73 -1.212 -16.472 18.010 1.00 10.00 H new ATOM 0 HB2 SER A 73 -3.728 -18.136 17.483 1.00 50.00 H new ATOM 0 HB3 SER A 73 -3.559 -16.396 17.361 1.00 50.00 H new ATOM 0 HG SER A 73 -3.343 -18.037 15.373 1.00 50.00 H new ATOM 1032 N ILE A 74 -3.086 -16.913 20.045 1.00 10.00 N ATOM 1033 CA ILE A 74 -3.481 -17.112 21.472 1.00 10.00 C ATOM 1034 C ILE A 74 -4.973 -16.819 21.659 1.00 10.00 C ATOM 1035 O ILE A 74 -5.349 -15.813 22.228 1.00 10.00 O ATOM 1036 CB ILE A 74 -2.641 -16.115 22.272 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -1.156 -16.460 22.133 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -3.040 -16.186 23.748 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -0.889 -17.836 22.748 1.00 10.00 C ATOM 0 H ILE A 74 -3.604 -16.189 19.547 1.00 10.00 H new ATOM 0 HA ILE A 74 -3.312 -18.138 21.798 1.00 10.00 H new ATOM 0 HB ILE A 74 -2.815 -15.109 21.890 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -0.869 -16.458 21.082 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -0.548 -15.704 22.630 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -2.443 -15.476 24.321 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -4.096 -15.938 23.852 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -2.865 -17.194 24.124 1.00 50.00 H new ATOM 0 HD11 ILE A 74 0.169 -18.080 22.648 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -1.160 -17.822 23.804 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -1.485 -18.588 22.231 1.00 10.00 H new ATOM 1051 N VAL A 75 -5.828 -17.690 21.191 1.00 10.00 N ATOM 1052 CA VAL A 75 -7.294 -17.450 21.353 1.00 10.00 C ATOM 1053 C VAL A 75 -7.605 -17.078 22.807 1.00 10.00 C ATOM 1054 O VAL A 75 -7.459 -17.879 23.707 1.00 10.00 O ATOM 1055 CB VAL A 75 -7.962 -18.775 20.976 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -7.553 -19.861 21.971 1.00 50.00 C ATOM 1057 CG2 VAL A 75 -9.482 -18.603 21.003 1.00 50.00 C ATOM 0 H VAL A 75 -5.578 -18.552 20.707 1.00 10.00 H new ATOM 0 HA VAL A 75 -7.652 -16.630 20.731 1.00 10.00 H new ATOM 0 HB VAL A 75 -7.645 -19.068 19.975 1.00 50.00 H new ATOM 0 HG11 VAL A 75 -8.031 -20.802 21.699 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -6.470 -19.984 21.950 1.00 50.00 H new ATOM 0 HG13 VAL A 75 -7.866 -19.572 22.974 1.00 50.00 H new ATOM 0 HG21 VAL A 75 -9.960 -19.545 20.735 1.00 50.00 H new ATOM 0 HG22 VAL A 75 -9.797 -18.308 22.004 1.00 50.00 H new ATOM 0 HG23 VAL A 75 -9.774 -17.832 20.289 1.00 50.00 H new ATOM 1067 N LYS A 76 -8.030 -15.865 23.047 1.00 10.00 N ATOM 1068 CA LYS A 76 -8.340 -15.451 24.446 1.00 10.00 C ATOM 1069 C LYS A 76 -9.758 -15.885 24.830 1.00 10.00 C ATOM 1070 O LYS A 76 -10.143 -15.828 25.980 1.00 10.00 O ATOM 1071 CB LYS A 76 -8.228 -13.927 24.443 1.00 25.00 C ATOM 1072 CG LYS A 76 -8.650 -13.383 25.810 1.00 25.00 C ATOM 1073 CD LYS A 76 -9.994 -12.664 25.679 1.00 50.00 C ATOM 1074 CE LYS A 76 -10.209 -11.756 26.893 1.00 50.00 C ATOM 1075 NZ LYS A 76 -11.636 -11.333 26.810 1.00 50.00 N ATOM 0 H LYS A 76 -8.175 -15.146 22.338 1.00 10.00 H new ATOM 0 HA LYS A 76 -7.664 -15.909 25.169 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -7.204 -13.627 24.220 1.00 25.00 H new ATOM 0 HB3 LYS A 76 -8.860 -13.506 23.661 1.00 25.00 H new ATOM 0 HG2 LYS A 76 -8.730 -14.198 26.529 1.00 25.00 H new ATOM 0 HG3 LYS A 76 -7.893 -12.696 26.190 1.00 25.00 H new ATOM 0 HD2 LYS A 76 -10.015 -12.074 24.762 1.00 50.00 H new ATOM 0 HD3 LYS A 76 -10.802 -13.392 25.608 1.00 50.00 H new ATOM 0 HE2 LYS A 76 -10.008 -12.287 27.824 1.00 50.00 H new ATOM 0 HE3 LYS A 76 -9.540 -10.896 26.866 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 -11.921 -10.896 27.709 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 -11.750 -10.645 26.039 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 -12.234 -12.163 26.624 1.00 50.00 H new ATOM 1089 N GLU A 77 -10.536 -16.319 23.876 1.00 10.00 N ATOM 1090 CA GLU A 77 -11.928 -16.756 24.191 1.00 10.00 C ATOM 1091 C GLU A 77 -12.622 -17.259 22.922 1.00 10.00 C ATOM 1092 O GLU A 77 -12.145 -17.059 21.822 1.00 10.00 O ATOM 1093 CB GLU A 77 -12.625 -15.505 24.728 1.00 10.00 C ATOM 1094 CG GLU A 77 -13.622 -15.904 25.819 1.00 10.00 C ATOM 1095 CD GLU A 77 -14.040 -14.660 26.607 1.00 25.00 C ATOM 1096 OE1 GLU A 77 -13.716 -13.568 26.169 1.00 25.00 O ATOM 1097 OE2 GLU A 77 -14.679 -14.821 27.634 1.00 25.00 O ATOM 0 H GLU A 77 -10.270 -16.390 22.894 1.00 10.00 H new ATOM 0 HA GLU A 77 -11.953 -17.574 24.911 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -11.888 -14.810 25.131 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -13.142 -14.989 23.919 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -14.497 -16.376 25.372 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -13.171 -16.637 26.488 1.00 10.00 H new ATOM 1104 N GLY A 78 -13.742 -17.911 23.065 1.00 10.00 N ATOM 1105 CA GLY A 78 -14.462 -18.428 21.867 1.00 10.00 C ATOM 1106 C GLY A 78 -13.927 -19.817 21.512 1.00 10.00 C ATOM 1107 O GLY A 78 -13.290 -20.470 22.314 1.00 10.00 O ATOM 0 H GLY A 78 -14.190 -18.108 23.960 1.00 10.00 H new ATOM 0 HA2 GLY A 78 -15.532 -18.479 22.066 1.00 10.00 H new ATOM 0 HA3 GLY A 78 -14.326 -17.748 21.026 1.00 10.00 H new ATOM 1111 N GLU A 79 -14.178 -20.273 20.316 1.00 10.00 N ATOM 1112 CA GLU A 79 -13.680 -21.620 19.913 1.00 10.00 C ATOM 1113 C GLU A 79 -13.324 -21.627 18.425 1.00 10.00 C ATOM 1114 O GLU A 79 -13.977 -20.995 17.617 1.00 10.00 O ATOM 1115 CB GLU A 79 -14.841 -22.573 20.192 1.00 25.00 C ATOM 1116 CG GLU A 79 -14.541 -23.937 19.566 1.00 25.00 C ATOM 1117 CD GLU A 79 -15.727 -24.875 19.795 1.00 50.00 C ATOM 1118 OE1 GLU A 79 -16.776 -24.623 19.225 1.00 50.00 O ATOM 1119 OE2 GLU A 79 -15.567 -25.829 20.539 1.00 50.00 O ATOM 0 H GLU A 79 -14.706 -19.773 19.601 1.00 10.00 H new ATOM 0 HA GLU A 79 -12.780 -21.907 20.456 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -14.989 -22.678 21.267 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -15.766 -22.167 19.781 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -14.353 -23.825 18.498 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -13.638 -24.361 20.006 1.00 25.00 H new ATOM 1126 N ILE A 80 -12.295 -22.337 18.056 1.00 10.00 N ATOM 1127 CA ILE A 80 -11.898 -22.385 16.620 1.00 10.00 C ATOM 1128 C ILE A 80 -11.843 -23.835 16.135 1.00 10.00 C ATOM 1129 O ILE A 80 -11.498 -24.735 16.875 1.00 10.00 O ATOM 1130 CB ILE A 80 -10.509 -21.747 16.571 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -10.630 -20.241 16.812 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -9.883 -21.996 15.198 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -9.289 -19.692 17.304 1.00 50.00 C ATOM 0 H ILE A 80 -11.711 -22.887 18.686 1.00 10.00 H new ATOM 0 HA ILE A 80 -12.607 -21.864 15.977 1.00 10.00 H new ATOM 0 HB ILE A 80 -9.879 -22.188 17.343 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -10.925 -19.737 15.891 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -11.409 -20.041 17.548 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -8.893 -21.542 15.162 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -9.796 -23.069 15.027 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -10.513 -21.555 14.426 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -9.376 -18.619 17.475 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -9.013 -20.187 18.235 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -8.522 -19.878 16.552 1.00 50.00 H new ATOM 1145 N ASP A 81 -12.182 -24.069 14.897 1.00 10.00 N ATOM 1146 CA ASP A 81 -12.151 -25.461 14.365 1.00 10.00 C ATOM 1147 C ASP A 81 -10.826 -25.726 13.645 1.00 10.00 C ATOM 1148 O ASP A 81 -10.362 -24.921 12.862 1.00 10.00 O ATOM 1149 CB ASP A 81 -13.319 -25.534 13.381 1.00 10.00 C ATOM 1150 CG ASP A 81 -13.515 -26.982 12.928 1.00 10.00 C ATOM 1151 OD1 ASP A 81 -13.565 -27.849 13.785 1.00 10.00 O ATOM 1152 OD2 ASP A 81 -13.611 -27.200 11.731 1.00 10.00 O ATOM 0 H ASP A 81 -12.479 -23.356 14.231 1.00 10.00 H new ATOM 0 HA ASP A 81 -12.235 -26.206 15.156 1.00 10.00 H new ATOM 0 HB2 ASP A 81 -14.229 -25.163 13.852 1.00 10.00 H new ATOM 0 HB3 ASP A 81 -13.123 -24.896 12.520 1.00 10.00 H new ATOM 1157 N MET A 82 -10.214 -26.850 13.902 1.00 12.50 N ATOM 1158 CA MET A 82 -8.921 -27.166 13.229 1.00 12.50 C ATOM 1159 C MET A 82 -9.125 -28.277 12.196 1.00 12.50 C ATOM 1160 O MET A 82 -10.218 -28.773 12.012 1.00 12.50 O ATOM 1161 CB MET A 82 -7.994 -27.637 14.350 1.00 12.50 C ATOM 1162 CG MET A 82 -6.808 -26.677 14.468 1.00 12.50 C ATOM 1163 SD MET A 82 -6.888 -25.810 16.055 1.00 12.50 S ATOM 1164 CE MET A 82 -5.629 -26.786 16.914 1.00 50.00 C ATOM 0 H MET A 82 -10.553 -27.563 14.548 1.00 12.50 H new ATOM 0 HA MET A 82 -8.510 -26.308 12.697 1.00 12.50 H new ATOM 0 HB2 MET A 82 -8.538 -27.677 15.294 1.00 12.50 H new ATOM 0 HB3 MET A 82 -7.639 -28.647 14.143 1.00 12.50 H new ATOM 0 HG2 MET A 82 -5.871 -27.228 14.390 1.00 12.50 H new ATOM 0 HG3 MET A 82 -6.825 -25.959 13.648 1.00 12.50 H new ATOM 0 HE1 MET A 82 -5.673 -26.577 17.983 1.00 50.00 H new ATOM 0 HE2 MET A 82 -5.813 -27.847 16.744 1.00 50.00 H new ATOM 0 HE3 MET A 82 -4.642 -26.523 16.533 1.00 50.00 H new ATOM 1174 N ASP A 83 -8.082 -28.672 11.519 1.00 50.00 N ATOM 1175 CA ASP A 83 -8.223 -29.750 10.498 1.00 50.00 C ATOM 1176 C ASP A 83 -7.800 -31.098 11.086 1.00 50.00 C ATOM 1177 O ASP A 83 -7.469 -31.203 12.251 1.00 50.00 O ATOM 1178 CB ASP A 83 -7.288 -29.345 9.359 1.00 50.00 C ATOM 1179 CG ASP A 83 -5.835 -29.532 9.801 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -5.592 -29.513 10.996 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -4.990 -29.692 8.935 1.00 50.00 O ATOM 0 H ASP A 83 -7.140 -28.296 11.628 1.00 50.00 H new ATOM 0 HA ASP A 83 -9.253 -29.862 10.159 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -7.491 -29.950 8.475 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -7.464 -28.306 9.082 1.00 50.00 H new ATOM 1186 N MET A 84 -7.807 -32.131 10.288 1.00 50.00 N ATOM 1187 CA MET A 84 -7.405 -33.472 10.800 1.00 50.00 C ATOM 1188 C MET A 84 -5.904 -33.498 11.101 1.00 50.00 C ATOM 1189 O MET A 84 -5.124 -34.071 10.366 1.00 50.00 O ATOM 1190 CB MET A 84 -7.743 -34.444 9.668 1.00 50.00 C ATOM 1191 CG MET A 84 -8.201 -35.778 10.262 1.00 50.00 C ATOM 1192 SD MET A 84 -7.714 -37.129 9.159 1.00 50.00 S ATOM 1193 CE MET A 84 -9.330 -37.940 9.066 1.00 50.00 C ATOM 0 H MET A 84 -8.074 -32.104 9.304 1.00 50.00 H new ATOM 0 HA MET A 84 -7.917 -33.730 11.727 1.00 50.00 H new ATOM 0 HB2 MET A 84 -8.527 -34.026 9.037 1.00 50.00 H new ATOM 0 HB3 MET A 84 -6.871 -34.597 9.033 1.00 50.00 H new ATOM 0 HG2 MET A 84 -7.757 -35.921 11.247 1.00 50.00 H new ATOM 0 HG3 MET A 84 -9.283 -35.776 10.397 1.00 50.00 H new ATOM 0 HE1 MET A 84 -9.260 -38.817 8.423 1.00 50.00 H new ATOM 0 HE2 MET A 84 -9.642 -38.246 10.065 1.00 50.00 H new ATOM 0 HE3 MET A 84 -10.062 -37.246 8.654 1.00 50.00 H new ATOM 1203 N GLN A 85 -5.495 -32.884 12.177 1.00 16.66 N ATOM 1204 CA GLN A 85 -4.046 -32.876 12.528 1.00 16.66 C ATOM 1205 C GLN A 85 -3.838 -32.234 13.902 1.00 16.66 C ATOM 1206 O GLN A 85 -4.722 -31.598 14.440 1.00 16.66 O ATOM 1207 CB GLN A 85 -3.374 -32.039 11.438 1.00 16.66 C ATOM 1208 CG GLN A 85 -2.152 -32.790 10.903 1.00 16.66 C ATOM 1209 CD GLN A 85 -1.775 -32.238 9.527 1.00 16.66 C ATOM 1210 OE1 GLN A 85 -2.392 -31.311 9.041 1.00 16.66 O ATOM 1211 NE2 GLN A 85 -0.780 -32.773 8.873 1.00 16.66 N ATOM 0 H GLN A 85 -6.102 -32.387 12.829 1.00 16.66 H new ATOM 0 HA GLN A 85 -3.631 -33.882 12.581 1.00 16.66 H new ATOM 0 HB2 GLN A 85 -4.077 -31.843 10.629 1.00 16.66 H new ATOM 0 HB3 GLN A 85 -3.073 -31.072 11.840 1.00 16.66 H new ATOM 0 HG2 GLN A 85 -1.315 -32.681 11.592 1.00 16.66 H new ATOM 0 HG3 GLN A 85 -2.369 -33.856 10.832 1.00 16.66 H new ATOM 0 HE21 GLN A 85 -0.262 -33.551 9.280 1.00 16.66 H new ATOM 0 HE22 GLN A 85 -0.521 -32.413 7.955 1.00 16.66 H new ATOM 1220 N GLN A 86 -2.676 -32.395 14.473 1.00 16.66 N ATOM 1221 CA GLN A 86 -2.417 -31.793 15.812 1.00 16.66 C ATOM 1222 C GLN A 86 -0.912 -31.721 16.081 1.00 16.66 C ATOM 1223 O GLN A 86 -0.362 -32.529 16.803 1.00 16.66 O ATOM 1224 CB GLN A 86 -3.093 -32.734 16.809 1.00 16.66 C ATOM 1225 CG GLN A 86 -3.226 -32.031 18.161 1.00 16.66 C ATOM 1226 CD GLN A 86 -4.597 -32.341 18.765 1.00 50.00 C ATOM 1227 OE1 GLN A 86 -4.703 -32.648 19.936 1.00 50.00 O ATOM 1228 NE2 GLN A 86 -5.659 -32.273 18.009 1.00 50.00 N ATOM 0 H GLN A 86 -1.896 -32.916 14.072 1.00 16.66 H new ATOM 0 HA GLN A 86 -2.801 -30.776 15.885 1.00 16.66 H new ATOM 0 HB2 GLN A 86 -4.076 -33.027 16.441 1.00 16.66 H new ATOM 0 HB3 GLN A 86 -2.508 -33.648 16.918 1.00 16.66 H new ATOM 0 HG2 GLN A 86 -2.436 -32.363 18.835 1.00 16.66 H new ATOM 0 HG3 GLN A 86 -3.107 -30.955 18.036 1.00 16.66 H new ATOM 0 HE21 GLN A 86 -5.570 -32.015 17.026 1.00 50.00 H new ATOM 0 HE22 GLN A 86 -6.578 -32.478 18.401 1.00 50.00 H new ATOM 1237 N ILE A 87 -0.242 -30.758 15.510 1.00 12.50 N ATOM 1238 CA ILE A 87 1.226 -30.637 15.740 1.00 12.50 C ATOM 1239 C ILE A 87 1.492 -29.861 17.032 1.00 12.50 C ATOM 1240 O ILE A 87 2.520 -30.015 17.661 1.00 12.50 O ATOM 1241 CB ILE A 87 1.757 -29.869 14.530 1.00 50.00 C ATOM 1242 CG1 ILE A 87 1.316 -28.406 14.619 1.00 50.00 C ATOM 1243 CG2 ILE A 87 1.203 -30.492 13.247 1.00 50.00 C ATOM 1244 CD1 ILE A 87 2.484 -27.551 15.115 1.00 50.00 C ATOM 0 H ILE A 87 -0.646 -30.051 14.896 1.00 12.50 H new ATOM 0 HA ILE A 87 1.711 -31.608 15.846 1.00 12.50 H new ATOM 0 HB ILE A 87 2.846 -29.919 14.518 1.00 50.00 H new ATOM 0 HG12 ILE A 87 0.984 -28.055 13.642 1.00 50.00 H new ATOM 0 HG13 ILE A 87 0.468 -28.311 15.297 1.00 50.00 H new ATOM 0 HG21 ILE A 87 1.581 -29.945 12.384 1.00 50.00 H new ATOM 0 HG22 ILE A 87 1.518 -31.533 13.183 1.00 50.00 H new ATOM 0 HG23 ILE A 87 0.114 -30.442 13.259 1.00 50.00 H new ATOM 0 HD11 ILE A 87 2.171 -26.509 15.179 1.00 50.00 H new ATOM 0 HD12 ILE A 87 2.796 -27.897 16.101 1.00 50.00 H new ATOM 0 HD13 ILE A 87 3.319 -27.637 14.420 1.00 50.00 H new ATOM 1256 N LEU A 88 0.569 -29.031 17.434 1.00 12.50 N ATOM 1257 CA LEU A 88 0.764 -28.250 18.688 1.00 12.50 C ATOM 1258 C LEU A 88 0.480 -29.135 19.904 1.00 12.50 C ATOM 1259 O LEU A 88 -0.110 -30.191 19.788 1.00 12.50 O ATOM 1260 CB LEU A 88 -0.247 -27.107 18.605 1.00 12.50 C ATOM 1261 CG LEU A 88 0.261 -26.048 17.624 1.00 12.50 C ATOM 1262 CD1 LEU A 88 -0.788 -24.945 17.477 1.00 12.50 C ATOM 1263 CD2 LEU A 88 1.564 -25.445 18.154 1.00 12.50 C ATOM 0 H LEU A 88 -0.312 -28.860 16.948 1.00 12.50 H new ATOM 0 HA LEU A 88 1.784 -27.880 18.794 1.00 12.50 H new ATOM 0 HB2 LEU A 88 -1.215 -27.486 18.278 1.00 12.50 H new ATOM 0 HB3 LEU A 88 -0.394 -26.665 19.590 1.00 12.50 H new ATOM 0 HG LEU A 88 0.442 -26.509 16.653 1.00 12.50 H new ATOM 0 HD11 LEU A 88 -0.427 -24.190 16.778 1.00 12.50 H new ATOM 0 HD12 LEU A 88 -1.716 -25.374 17.100 1.00 12.50 H new ATOM 0 HD13 LEU A 88 -0.969 -24.484 18.448 1.00 12.50 H new ATOM 0 HD21 LEU A 88 1.926 -24.691 17.456 1.00 12.50 H new ATOM 0 HD22 LEU A 88 1.383 -24.984 19.125 1.00 12.50 H new ATOM 0 HD23 LEU A 88 2.312 -26.231 18.260 1.00 12.50 H new ATOM 1275 N SER A 89 0.895 -28.719 21.068 1.00 12.50 N ATOM 1276 CA SER A 89 0.647 -29.545 22.285 1.00 12.50 C ATOM 1277 C SER A 89 -0.610 -29.063 23.012 1.00 12.50 C ATOM 1278 O SER A 89 -0.798 -27.882 23.230 1.00 12.50 O ATOM 1279 CB SER A 89 1.885 -29.341 23.158 1.00 12.50 C ATOM 1280 OG SER A 89 2.279 -30.585 23.718 1.00 12.50 O ATOM 0 H SER A 89 1.394 -27.845 21.230 1.00 12.50 H new ATOM 0 HA SER A 89 0.485 -30.595 22.044 1.00 12.50 H new ATOM 0 HB2 SER A 89 2.698 -28.924 22.563 1.00 12.50 H new ATOM 0 HB3 SER A 89 1.670 -28.625 23.951 1.00 12.50 H new ATOM 0 HG SER A 89 3.074 -30.455 24.276 1.00 12.50 H new ATOM 1286 N ASP A 90 -1.472 -29.967 23.393 1.00 10.00 N ATOM 1287 CA ASP A 90 -2.712 -29.556 24.109 1.00 10.00 C ATOM 1288 C ASP A 90 -2.372 -28.508 25.168 1.00 10.00 C ATOM 1289 O ASP A 90 -3.143 -27.608 25.440 1.00 10.00 O ATOM 1290 CB ASP A 90 -3.236 -30.834 24.766 1.00 10.00 C ATOM 1291 CG ASP A 90 -2.199 -31.357 25.761 1.00 10.00 C ATOM 1292 OD1 ASP A 90 -1.337 -32.114 25.345 1.00 10.00 O ATOM 1293 OD2 ASP A 90 -2.283 -30.992 26.922 1.00 10.00 O ATOM 0 H ASP A 90 -1.371 -30.970 23.239 1.00 10.00 H new ATOM 0 HA ASP A 90 -3.452 -29.114 23.442 1.00 10.00 H new ATOM 0 HB2 ASP A 90 -4.177 -30.633 25.277 1.00 10.00 H new ATOM 0 HB3 ASP A 90 -3.440 -31.589 24.007 1.00 10.00 H new ATOM 1298 N GLU A 91 -1.216 -28.614 25.760 1.00 12.50 N ATOM 1299 CA GLU A 91 -0.814 -27.622 26.794 1.00 12.50 C ATOM 1300 C GLU A 91 -0.853 -26.217 26.194 1.00 12.50 C ATOM 1301 O GLU A 91 -1.238 -25.262 26.840 1.00 12.50 O ATOM 1302 CB GLU A 91 0.615 -28.008 27.176 1.00 12.50 C ATOM 1303 CG GLU A 91 0.774 -27.945 28.696 1.00 12.50 C ATOM 1304 CD GLU A 91 2.234 -27.642 29.041 1.00 50.00 C ATOM 1305 OE1 GLU A 91 2.802 -26.767 28.409 1.00 50.00 O ATOM 1306 OE2 GLU A 91 2.758 -28.292 29.930 1.00 50.00 O ATOM 0 H GLU A 91 -0.531 -29.346 25.572 1.00 12.50 H new ATOM 0 HA GLU A 91 -1.475 -27.622 27.661 1.00 12.50 H new ATOM 0 HB2 GLU A 91 0.839 -29.013 26.818 1.00 12.50 H new ATOM 0 HB3 GLU A 91 1.325 -27.333 26.698 1.00 12.50 H new ATOM 0 HG2 GLU A 91 0.123 -27.174 29.109 1.00 12.50 H new ATOM 0 HG3 GLU A 91 0.472 -28.891 29.144 1.00 12.50 H new ATOM 1313 N GLU A 92 -0.467 -26.089 24.956 1.00 10.00 N ATOM 1314 CA GLU A 92 -0.490 -24.751 24.302 1.00 10.00 C ATOM 1315 C GLU A 92 -1.932 -24.368 23.965 1.00 10.00 C ATOM 1316 O GLU A 92 -2.295 -23.209 23.959 1.00 10.00 O ATOM 1317 CB GLU A 92 0.335 -24.916 23.025 1.00 50.00 C ATOM 1318 CG GLU A 92 1.824 -24.824 23.364 1.00 50.00 C ATOM 1319 CD GLU A 92 2.648 -25.344 22.185 1.00 50.00 C ATOM 1320 OE1 GLU A 92 2.365 -26.439 21.727 1.00 50.00 O ATOM 1321 OE2 GLU A 92 3.549 -24.639 21.760 1.00 50.00 O ATOM 0 H GLU A 92 -0.136 -26.854 24.368 1.00 10.00 H new ATOM 0 HA GLU A 92 -0.087 -23.966 24.942 1.00 10.00 H new ATOM 0 HB2 GLU A 92 0.116 -25.877 22.559 1.00 50.00 H new ATOM 0 HB3 GLU A 92 0.067 -24.144 22.304 1.00 50.00 H new ATOM 0 HG2 GLU A 92 2.095 -23.791 23.583 1.00 50.00 H new ATOM 0 HG3 GLU A 92 2.041 -25.407 24.259 1.00 50.00 H new ATOM 1328 N VAL A 93 -2.757 -25.340 23.688 1.00 10.00 N ATOM 1329 CA VAL A 93 -4.179 -25.044 23.355 1.00 10.00 C ATOM 1330 C VAL A 93 -4.976 -24.787 24.636 1.00 10.00 C ATOM 1331 O VAL A 93 -6.077 -24.274 24.602 1.00 10.00 O ATOM 1332 CB VAL A 93 -4.688 -26.301 22.648 1.00 10.00 C ATOM 1333 CG1 VAL A 93 -6.152 -26.105 22.246 1.00 10.00 C ATOM 1334 CG2 VAL A 93 -3.845 -26.559 21.398 1.00 10.00 C ATOM 0 H VAL A 93 -2.507 -26.329 23.678 1.00 10.00 H new ATOM 0 HA VAL A 93 -4.284 -24.156 22.732 1.00 10.00 H new ATOM 0 HB VAL A 93 -4.609 -27.154 23.322 1.00 10.00 H new ATOM 0 HG11 VAL A 93 -6.514 -27.001 21.742 1.00 10.00 H new ATOM 0 HG12 VAL A 93 -6.753 -25.922 23.137 1.00 10.00 H new ATOM 0 HG13 VAL A 93 -6.233 -25.252 21.572 1.00 10.00 H new ATOM 0 HG21 VAL A 93 -4.207 -27.455 20.893 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -3.923 -25.706 20.724 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -2.803 -26.700 21.685 1.00 10.00 H new ATOM 1344 N GLU A 94 -4.428 -25.142 25.767 1.00 12.50 N ATOM 1345 CA GLU A 94 -5.156 -24.920 27.049 1.00 12.50 C ATOM 1346 C GLU A 94 -4.371 -23.959 27.948 1.00 12.50 C ATOM 1347 O GLU A 94 -4.941 -23.192 28.698 1.00 12.50 O ATOM 1348 CB GLU A 94 -5.248 -26.303 27.694 1.00 12.50 C ATOM 1349 CG GLU A 94 -5.919 -26.184 29.064 1.00 12.50 C ATOM 1350 CD GLU A 94 -5.166 -27.046 30.079 1.00 12.50 C ATOM 1351 OE1 GLU A 94 -4.009 -26.753 30.332 1.00 12.50 O ATOM 1352 OE2 GLU A 94 -5.759 -27.985 30.585 1.00 12.50 O ATOM 0 H GLU A 94 -3.509 -25.575 25.858 1.00 12.50 H new ATOM 0 HA GLU A 94 -6.139 -24.474 26.894 1.00 12.50 H new ATOM 0 HB2 GLU A 94 -5.819 -26.977 27.055 1.00 12.50 H new ATOM 0 HB3 GLU A 94 -4.252 -26.733 27.801 1.00 12.50 H new ATOM 0 HG2 GLU A 94 -5.925 -25.143 29.388 1.00 12.50 H new ATOM 0 HG3 GLU A 94 -6.959 -26.504 29.000 1.00 12.50 H new ATOM 1359 N GLU A 95 -3.068 -23.998 27.883 1.00 12.50 N ATOM 1360 CA GLU A 95 -2.252 -23.089 28.741 1.00 12.50 C ATOM 1361 C GLU A 95 -1.847 -21.831 27.964 1.00 12.50 C ATOM 1362 O GLU A 95 -1.550 -20.805 28.544 1.00 12.50 O ATOM 1363 CB GLU A 95 -1.015 -23.906 29.117 1.00 25.00 C ATOM 1364 CG GLU A 95 -0.453 -23.399 30.447 1.00 25.00 C ATOM 1365 CD GLU A 95 0.709 -22.440 30.177 1.00 50.00 C ATOM 1366 OE1 GLU A 95 1.404 -22.646 29.196 1.00 50.00 O ATOM 1367 OE2 GLU A 95 0.883 -21.518 30.957 1.00 50.00 O ATOM 0 H GLU A 95 -2.533 -24.618 27.275 1.00 12.50 H new ATOM 0 HA GLU A 95 -2.804 -22.751 29.618 1.00 12.50 H new ATOM 0 HB2 GLU A 95 -1.274 -24.962 29.198 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -0.260 -23.823 28.336 1.00 25.00 H new ATOM 0 HG2 GLU A 95 -1.233 -22.891 31.014 1.00 25.00 H new ATOM 0 HG3 GLU A 95 -0.113 -24.238 31.054 1.00 25.00 H new ATOM 1374 N LYS A 96 -1.829 -21.898 26.661 1.00 25.00 N ATOM 1375 CA LYS A 96 -1.438 -20.700 25.862 1.00 25.00 C ATOM 1376 C LYS A 96 -2.540 -20.343 24.859 1.00 25.00 C ATOM 1377 O LYS A 96 -2.511 -19.301 24.237 1.00 25.00 O ATOM 1378 CB LYS A 96 -0.157 -21.111 25.136 1.00 25.00 C ATOM 1379 CG LYS A 96 0.982 -21.234 26.151 1.00 25.00 C ATOM 1380 CD LYS A 96 2.306 -21.445 25.414 1.00 25.00 C ATOM 1381 CE LYS A 96 3.315 -22.100 26.360 1.00 25.00 C ATOM 1382 NZ LYS A 96 4.648 -21.803 25.763 1.00 25.00 N ATOM 0 H LYS A 96 -2.067 -22.727 26.116 1.00 25.00 H new ATOM 0 HA LYS A 96 -1.288 -19.819 26.486 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -0.305 -22.061 24.622 1.00 25.00 H new ATOM 0 HB3 LYS A 96 0.096 -20.373 24.375 1.00 25.00 H new ATOM 0 HG2 LYS A 96 1.035 -20.334 26.764 1.00 25.00 H new ATOM 0 HG3 LYS A 96 0.793 -22.069 26.826 1.00 25.00 H new ATOM 0 HD2 LYS A 96 2.151 -22.074 24.538 1.00 25.00 H new ATOM 0 HD3 LYS A 96 2.692 -20.490 25.057 1.00 25.00 H new ATOM 0 HE2 LYS A 96 3.234 -21.693 27.368 1.00 25.00 H new ATOM 0 HE3 LYS A 96 3.146 -23.174 26.436 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 5.394 -22.220 26.355 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 4.698 -22.208 24.807 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 4.783 -20.773 25.710 1.00 25.00 H new ATOM 1396 N ASP A 97 -3.514 -21.197 24.701 1.00 10.00 N ATOM 1397 CA ASP A 97 -4.619 -20.899 23.740 1.00 10.00 C ATOM 1398 C ASP A 97 -4.053 -20.704 22.333 1.00 10.00 C ATOM 1399 O ASP A 97 -4.462 -19.820 21.608 1.00 10.00 O ATOM 1400 CB ASP A 97 -5.263 -19.590 24.226 1.00 50.00 C ATOM 1401 CG ASP A 97 -5.109 -19.444 25.745 1.00 50.00 C ATOM 1402 OD1 ASP A 97 -5.545 -20.337 26.453 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -4.559 -18.442 26.171 1.00 50.00 O ATOM 0 H ASP A 97 -3.594 -22.087 25.193 1.00 10.00 H new ATOM 0 HA ASP A 97 -5.341 -21.714 23.699 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -4.798 -18.741 23.725 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -6.320 -19.577 23.959 1.00 50.00 H new ATOM 1408 N VAL A 98 -3.110 -21.513 21.941 1.00 10.00 N ATOM 1409 CA VAL A 98 -2.521 -21.352 20.582 1.00 10.00 C ATOM 1410 C VAL A 98 -3.304 -22.171 19.552 1.00 10.00 C ATOM 1411 O VAL A 98 -3.857 -23.209 19.856 1.00 10.00 O ATOM 1412 CB VAL A 98 -1.089 -21.869 20.707 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -0.284 -21.438 19.481 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -0.448 -21.288 21.969 1.00 50.00 C ATOM 0 H VAL A 98 -2.723 -22.275 22.498 1.00 10.00 H new ATOM 0 HA VAL A 98 -2.553 -20.317 20.243 1.00 10.00 H new ATOM 0 HB VAL A 98 -1.098 -22.957 20.771 1.00 50.00 H new ATOM 0 HG11 VAL A 98 0.738 -21.806 19.569 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -0.742 -21.850 18.582 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -0.273 -20.350 19.417 1.00 50.00 H new ATOM 0 HG21 VAL A 98 0.574 -21.656 22.060 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -0.438 -20.200 21.904 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -1.023 -21.594 22.843 1.00 50.00 H new ATOM 1424 N ARG A 99 -3.351 -21.707 18.332 1.00 10.00 N ATOM 1425 CA ARG A 99 -4.094 -22.451 17.275 1.00 10.00 C ATOM 1426 C ARG A 99 -3.457 -22.200 15.905 1.00 10.00 C ATOM 1427 O ARG A 99 -2.515 -21.444 15.777 1.00 10.00 O ATOM 1428 CB ARG A 99 -5.513 -21.882 17.315 1.00 50.00 C ATOM 1429 CG ARG A 99 -6.472 -22.935 17.872 1.00 50.00 C ATOM 1430 CD ARG A 99 -7.255 -22.341 19.044 1.00 50.00 C ATOM 1431 NE ARG A 99 -8.476 -23.186 19.158 1.00 50.00 N ATOM 1432 CZ ARG A 99 -9.145 -23.218 20.278 1.00 50.00 C ATOM 1433 NH1 ARG A 99 -10.184 -22.446 20.441 1.00 50.00 N ATOM 1434 NH2 ARG A 99 -8.773 -24.023 21.236 1.00 50.00 N ATOM 0 H ARG A 99 -2.906 -20.843 18.022 1.00 10.00 H new ATOM 0 HA ARG A 99 -4.080 -23.528 17.441 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -5.539 -20.987 17.936 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -5.825 -21.585 16.314 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -7.158 -23.266 17.093 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -5.915 -23.813 18.200 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -6.670 -22.367 19.963 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -7.512 -21.298 18.859 1.00 50.00 H new ATOM 0 HE ARG A 99 -8.789 -23.740 18.361 1.00 50.00 H new ATOM 0 HH11 ARG A 99 -10.474 -21.817 19.693 1.00 50.00 H new ATOM 0 HH12 ARG A 99 -10.706 -22.472 21.317 1.00 50.00 H new ATOM 0 HH21 ARG A 99 -7.960 -24.626 21.109 1.00 50.00 H new ATOM 0 HH22 ARG A 99 -9.295 -24.049 22.112 1.00 50.00 H new ATOM 1448 N LEU A 100 -3.967 -22.827 14.880 1.00 10.00 N ATOM 1449 CA LEU A 100 -3.394 -22.622 13.519 1.00 10.00 C ATOM 1450 C LEU A 100 -4.200 -21.561 12.765 1.00 10.00 C ATOM 1451 O LEU A 100 -5.320 -21.791 12.356 1.00 10.00 O ATOM 1452 CB LEU A 100 -3.514 -23.982 12.831 1.00 10.00 C ATOM 1453 CG LEU A 100 -2.882 -25.056 13.720 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -3.812 -26.268 13.796 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -1.537 -25.482 13.129 1.00 10.00 C ATOM 0 H LEU A 100 -4.756 -23.472 14.926 1.00 10.00 H new ATOM 0 HA LEU A 100 -2.362 -22.273 13.550 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -4.562 -24.217 12.646 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -3.017 -23.957 11.861 1.00 10.00 H new ATOM 0 HG LEU A 100 -2.728 -24.653 14.721 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -3.362 -27.033 14.429 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -4.770 -25.965 14.218 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -3.967 -26.671 12.795 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -1.087 -26.247 13.762 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -1.691 -25.884 12.128 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -0.873 -24.619 13.075 1.00 10.00 H new ATOM 1467 N THR A 101 -3.639 -20.396 12.587 1.00 10.00 N ATOM 1468 CA THR A 101 -4.373 -19.314 11.869 1.00 10.00 C ATOM 1469 C THR A 101 -4.331 -19.543 10.354 1.00 10.00 C ATOM 1470 O THR A 101 -5.187 -19.082 9.626 1.00 10.00 O ATOM 1471 CB THR A 101 -3.639 -18.019 12.233 1.00 10.00 C ATOM 1472 OG1 THR A 101 -2.518 -18.319 13.056 1.00 10.00 O ATOM 1473 CG2 THR A 101 -4.589 -17.086 12.985 1.00 10.00 C ATOM 0 H THR A 101 -2.704 -20.146 12.908 1.00 10.00 H new ATOM 0 HA THR A 101 -5.425 -19.283 12.153 1.00 10.00 H new ATOM 0 HB THR A 101 -3.297 -17.531 11.321 1.00 10.00 H new ATOM 0 HG1 THR A 101 -1.703 -17.967 12.640 1.00 10.00 H new ATOM 0 HG21 THR A 101 -4.066 -16.165 13.243 1.00 10.00 H new ATOM 0 HG22 THR A 101 -5.445 -16.852 12.352 1.00 10.00 H new ATOM 0 HG23 THR A 101 -4.934 -17.575 13.896 1.00 10.00 H new ATOM 1481 N CYS A 102 -3.343 -20.247 9.870 1.00 10.00 N ATOM 1482 CA CYS A 102 -3.259 -20.492 8.400 1.00 10.00 C ATOM 1483 C CYS A 102 -4.291 -21.541 7.975 1.00 10.00 C ATOM 1484 O CYS A 102 -4.783 -21.527 6.864 1.00 10.00 O ATOM 1485 CB CYS A 102 -1.838 -21.005 8.159 1.00 10.00 C ATOM 1486 SG CYS A 102 -1.567 -22.515 9.118 1.00 10.00 S ATOM 0 H CYS A 102 -2.594 -20.661 10.425 1.00 10.00 H new ATOM 0 HA CYS A 102 -3.468 -19.592 7.822 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -1.688 -21.204 7.098 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -1.112 -20.244 8.447 1.00 10.00 H new ATOM 1491 N ILE A 103 -4.622 -22.452 8.848 1.00 10.00 N ATOM 1492 CA ILE A 103 -5.622 -23.500 8.491 1.00 10.00 C ATOM 1493 C ILE A 103 -6.639 -23.671 9.622 1.00 10.00 C ATOM 1494 O ILE A 103 -7.123 -24.756 9.874 1.00 10.00 O ATOM 1495 CB ILE A 103 -4.805 -24.779 8.307 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -4.136 -25.153 9.632 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -3.732 -24.550 7.241 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -4.696 -26.487 10.127 1.00 50.00 C ATOM 0 H ILE A 103 -4.244 -22.517 9.793 1.00 10.00 H new ATOM 0 HA ILE A 103 -6.186 -23.243 7.595 1.00 10.00 H new ATOM 0 HB ILE A 103 -5.464 -25.588 7.992 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -3.057 -25.226 9.499 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -4.313 -24.374 10.374 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -3.149 -25.462 7.110 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -4.208 -24.284 6.297 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -3.073 -23.741 7.556 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -4.220 -26.754 11.071 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -5.772 -26.397 10.276 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -4.496 -27.262 9.388 1.00 50.00 H new ATOM 1510 N GLY A 104 -6.965 -22.610 10.310 1.00 10.00 N ATOM 1511 CA GLY A 104 -7.945 -22.722 11.426 1.00 10.00 C ATOM 1512 C GLY A 104 -9.145 -21.809 11.160 1.00 10.00 C ATOM 1513 O GLY A 104 -8.999 -20.683 10.725 1.00 10.00 O ATOM 0 H GLY A 104 -6.596 -21.673 10.147 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -8.278 -23.755 11.527 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -7.470 -22.447 12.368 1.00 10.00 H new ATOM 1517 N SER A 105 -10.330 -22.288 11.425 1.00 10.00 N ATOM 1518 CA SER A 105 -11.544 -21.453 11.197 1.00 10.00 C ATOM 1519 C SER A 105 -12.341 -21.328 12.498 1.00 10.00 C ATOM 1520 O SER A 105 -12.362 -22.239 13.302 1.00 10.00 O ATOM 1521 CB SER A 105 -12.354 -22.207 10.141 1.00 10.00 C ATOM 1522 OG SER A 105 -13.387 -22.947 10.776 1.00 10.00 O ATOM 0 H SER A 105 -10.510 -23.223 11.790 1.00 10.00 H new ATOM 0 HA SER A 105 -11.298 -20.442 10.872 1.00 10.00 H new ATOM 0 HB2 SER A 105 -12.782 -21.505 9.426 1.00 10.00 H new ATOM 0 HB3 SER A 105 -11.704 -22.878 9.579 1.00 10.00 H new ATOM 0 HG SER A 105 -13.907 -23.429 10.100 1.00 10.00 H new ATOM 1528 N PRO A 106 -12.970 -20.197 12.664 1.00 10.00 N ATOM 1529 CA PRO A 106 -13.777 -19.946 13.883 1.00 10.00 C ATOM 1530 C PRO A 106 -15.058 -20.784 13.860 1.00 10.00 C ATOM 1531 O PRO A 106 -15.784 -20.800 12.886 1.00 10.00 O ATOM 1532 CB PRO A 106 -14.097 -18.457 13.800 1.00 10.00 C ATOM 1533 CG PRO A 106 -14.012 -18.125 12.344 1.00 10.00 C ATOM 1534 CD PRO A 106 -12.992 -19.056 11.740 1.00 10.00 C ATOM 0 HA PRO A 106 -13.258 -20.214 14.803 1.00 10.00 H new ATOM 0 HB2 PRO A 106 -15.090 -18.244 14.196 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -13.388 -17.868 14.382 1.00 10.00 H new ATOM 0 HG2 PRO A 106 -14.982 -18.250 11.862 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -13.717 -17.085 12.202 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -13.276 -19.362 10.733 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -12.013 -18.583 11.665 1.00 10.00 H new ATOM 1542 N ALA A 107 -15.340 -21.481 14.927 1.00 10.00 N ATOM 1543 CA ALA A 107 -16.574 -22.318 14.968 1.00 10.00 C ATOM 1544 C ALA A 107 -17.641 -21.641 15.833 1.00 10.00 C ATOM 1545 O ALA A 107 -18.771 -22.082 15.901 1.00 10.00 O ATOM 1546 CB ALA A 107 -16.135 -23.642 15.594 1.00 50.00 C ATOM 0 H ALA A 107 -14.770 -21.507 15.772 1.00 10.00 H new ATOM 0 HA ALA A 107 -17.010 -22.461 13.979 1.00 10.00 H new ATOM 0 HB1 ALA A 107 -16.990 -24.315 15.659 1.00 50.00 H new ATOM 0 HB2 ALA A 107 -15.361 -24.098 14.976 1.00 50.00 H new ATOM 0 HB3 ALA A 107 -15.741 -23.459 16.593 1.00 50.00 H new ATOM 1552 N ALA A 108 -17.290 -20.571 16.493 1.00 10.00 N ATOM 1553 CA ALA A 108 -18.283 -19.863 17.351 1.00 10.00 C ATOM 1554 C ALA A 108 -18.608 -18.492 16.753 1.00 10.00 C ATOM 1555 O ALA A 108 -17.984 -18.054 15.807 1.00 10.00 O ATOM 1556 CB ALA A 108 -17.597 -19.707 18.709 1.00 50.00 C ATOM 0 H ALA A 108 -16.358 -20.156 16.475 1.00 10.00 H new ATOM 0 HA ALA A 108 -19.223 -20.408 17.432 1.00 10.00 H new ATOM 0 HB1 ALA A 108 -18.267 -19.193 19.398 1.00 50.00 H new ATOM 0 HB2 ALA A 108 -17.352 -20.691 19.108 1.00 50.00 H new ATOM 0 HB3 ALA A 108 -16.683 -19.126 18.590 1.00 50.00 H new ATOM 1562 N ASP A 109 -19.578 -17.809 17.296 1.00 50.00 N ATOM 1563 CA ASP A 109 -19.935 -16.467 16.755 1.00 50.00 C ATOM 1564 C ASP A 109 -18.891 -15.433 17.182 1.00 50.00 C ATOM 1565 O ASP A 109 -18.224 -14.834 16.361 1.00 50.00 O ATOM 1566 CB ASP A 109 -21.298 -16.142 17.366 1.00 50.00 C ATOM 1567 CG ASP A 109 -22.254 -17.316 17.136 1.00 50.00 C ATOM 1568 OD1 ASP A 109 -21.984 -18.109 16.249 1.00 50.00 O ATOM 1569 OD2 ASP A 109 -23.239 -17.400 17.850 1.00 50.00 O ATOM 0 H ASP A 109 -20.138 -18.121 18.089 1.00 50.00 H new ATOM 0 HA ASP A 109 -19.967 -16.454 15.666 1.00 50.00 H new ATOM 0 HB2 ASP A 109 -21.193 -15.949 18.434 1.00 50.00 H new ATOM 0 HB3 ASP A 109 -21.703 -15.236 16.916 1.00 50.00 H new ATOM 1574 N GLU A 110 -18.741 -15.221 18.461 1.00 10.00 N ATOM 1575 CA GLU A 110 -17.735 -14.229 18.940 1.00 10.00 C ATOM 1576 C GLU A 110 -16.518 -14.957 19.517 1.00 10.00 C ATOM 1577 O GLU A 110 -16.648 -15.852 20.328 1.00 10.00 O ATOM 1578 CB GLU A 110 -18.453 -13.434 20.031 1.00 10.00 C ATOM 1579 CG GLU A 110 -17.427 -12.637 20.841 1.00 10.00 C ATOM 1580 CD GLU A 110 -17.251 -13.276 22.221 1.00 50.00 C ATOM 1581 OE1 GLU A 110 -17.949 -14.236 22.502 1.00 50.00 O ATOM 1582 OE2 GLU A 110 -16.421 -12.793 22.973 1.00 50.00 O ATOM 0 H GLU A 110 -19.271 -15.691 19.195 1.00 10.00 H new ATOM 0 HA GLU A 110 -17.372 -13.584 18.140 1.00 10.00 H new ATOM 0 HB2 GLU A 110 -19.183 -12.759 19.584 1.00 10.00 H new ATOM 0 HB3 GLU A 110 -19.003 -14.110 20.686 1.00 10.00 H new ATOM 0 HG2 GLU A 110 -16.472 -12.615 20.315 1.00 10.00 H new ATOM 0 HG3 GLU A 110 -17.757 -11.603 20.947 1.00 10.00 H new ATOM 1589 N VAL A 111 -15.336 -14.587 19.104 1.00 10.00 N ATOM 1590 CA VAL A 111 -14.119 -15.271 19.631 1.00 10.00 C ATOM 1591 C VAL A 111 -12.978 -14.270 19.832 1.00 10.00 C ATOM 1592 O VAL A 111 -12.808 -13.341 19.067 1.00 10.00 O ATOM 1593 CB VAL A 111 -13.749 -16.292 18.557 1.00 12.50 C ATOM 1594 CG1 VAL A 111 -12.650 -17.216 19.086 1.00 12.50 C ATOM 1595 CG2 VAL A 111 -14.983 -17.120 18.196 1.00 12.50 C ATOM 0 H VAL A 111 -15.160 -13.844 18.428 1.00 10.00 H new ATOM 0 HA VAL A 111 -14.299 -15.736 20.600 1.00 10.00 H new ATOM 0 HB VAL A 111 -13.388 -15.772 17.670 1.00 12.50 H new ATOM 0 HG11 VAL A 111 -12.387 -17.944 18.319 1.00 12.50 H new ATOM 0 HG12 VAL A 111 -11.771 -16.625 19.343 1.00 12.50 H new ATOM 0 HG13 VAL A 111 -13.009 -17.737 19.973 1.00 12.50 H new ATOM 0 HG21 VAL A 111 -14.720 -17.849 17.430 1.00 12.50 H new ATOM 0 HG22 VAL A 111 -15.344 -17.640 19.083 1.00 12.50 H new ATOM 0 HG23 VAL A 111 -15.765 -16.462 17.818 1.00 12.50 H new ATOM 1605 N LYS A 112 -12.189 -14.461 20.855 1.00 10.00 N ATOM 1606 CA LYS A 112 -11.049 -13.533 21.108 1.00 10.00 C ATOM 1607 C LYS A 112 -9.726 -14.263 20.858 1.00 10.00 C ATOM 1608 O LYS A 112 -9.560 -15.406 21.233 1.00 10.00 O ATOM 1609 CB LYS A 112 -11.178 -13.137 22.580 1.00 25.00 C ATOM 1610 CG LYS A 112 -12.521 -12.439 22.808 1.00 25.00 C ATOM 1611 CD LYS A 112 -12.704 -11.328 21.771 1.00 25.00 C ATOM 1612 CE LYS A 112 -13.348 -10.110 22.437 1.00 25.00 C ATOM 1613 NZ LYS A 112 -14.656 -9.944 21.745 1.00 25.00 N ATOM 0 H LYS A 112 -12.285 -15.221 21.528 1.00 10.00 H new ATOM 0 HA LYS A 112 -11.065 -12.661 20.454 1.00 10.00 H new ATOM 0 HB2 LYS A 112 -11.104 -14.021 23.213 1.00 25.00 H new ATOM 0 HB3 LYS A 112 -10.360 -12.474 22.862 1.00 25.00 H new ATOM 0 HG2 LYS A 112 -13.335 -13.160 22.731 1.00 25.00 H new ATOM 0 HG3 LYS A 112 -12.559 -12.021 23.814 1.00 25.00 H new ATOM 0 HD2 LYS A 112 -11.740 -11.054 21.342 1.00 25.00 H new ATOM 0 HD3 LYS A 112 -13.329 -11.681 20.951 1.00 25.00 H new ATOM 0 HE2 LYS A 112 -13.484 -10.270 23.507 1.00 25.00 H new ATOM 0 HE3 LYS A 112 -12.726 -9.222 22.324 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 -15.359 -9.572 22.415 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 -14.548 -9.279 20.952 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 -14.977 -10.865 21.383 1.00 25.00 H new ATOM 1627 N ILE A 113 -8.787 -13.619 20.219 1.00 10.00 N ATOM 1628 CA ILE A 113 -7.482 -14.288 19.943 1.00 10.00 C ATOM 1629 C ILE A 113 -6.391 -13.256 19.648 1.00 10.00 C ATOM 1630 O ILE A 113 -6.631 -12.241 19.025 1.00 10.00 O ATOM 1631 CB ILE A 113 -7.741 -15.162 18.716 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -6.442 -15.850 18.295 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -8.251 -14.289 17.568 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -6.719 -17.325 17.998 1.00 10.00 C ATOM 0 H ILE A 113 -8.866 -12.661 19.877 1.00 10.00 H new ATOM 0 HA ILE A 113 -7.133 -14.868 20.797 1.00 10.00 H new ATOM 0 HB ILE A 113 -8.489 -15.917 18.959 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -6.029 -15.362 17.412 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -5.698 -15.761 19.086 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -8.436 -14.911 16.692 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -9.177 -13.799 17.867 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -7.503 -13.534 17.325 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -5.793 -17.816 17.698 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -7.113 -17.808 18.892 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -7.449 -17.403 17.192 1.00 10.00 H new ATOM 1646 N VAL A 114 -5.187 -13.518 20.080 1.00 10.00 N ATOM 1647 CA VAL A 114 -4.073 -12.565 19.812 1.00 10.00 C ATOM 1648 C VAL A 114 -3.283 -13.039 18.590 1.00 10.00 C ATOM 1649 O VAL A 114 -3.026 -14.218 18.429 1.00 10.00 O ATOM 1650 CB VAL A 114 -3.194 -12.602 21.066 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -2.314 -11.351 21.107 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -4.074 -12.644 22.319 1.00 50.00 C ATOM 0 H VAL A 114 -4.927 -14.352 20.607 1.00 10.00 H new ATOM 0 HA VAL A 114 -4.428 -11.556 19.605 1.00 10.00 H new ATOM 0 HB VAL A 114 -2.567 -13.493 21.037 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -1.688 -11.376 21.999 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -1.681 -11.322 20.220 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -2.945 -10.463 21.131 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -3.442 -12.670 23.207 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -4.706 -11.757 22.350 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -4.701 -13.535 22.294 1.00 50.00 H new ATOM 1662 N TYR A 115 -2.902 -12.139 17.724 1.00 10.00 N ATOM 1663 CA TYR A 115 -2.139 -12.554 16.511 1.00 10.00 C ATOM 1664 C TYR A 115 -0.637 -12.312 16.716 1.00 10.00 C ATOM 1665 O TYR A 115 -0.233 -11.522 17.546 1.00 10.00 O ATOM 1666 CB TYR A 115 -2.722 -11.702 15.367 1.00 50.00 C ATOM 1667 CG TYR A 115 -1.849 -10.501 15.071 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -1.735 -9.464 16.005 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -1.158 -10.428 13.856 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -0.927 -8.356 15.723 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -0.350 -9.320 13.575 1.00 50.00 C ATOM 1672 CZ TYR A 115 -0.235 -8.284 14.509 1.00 50.00 C ATOM 1673 OH TYR A 115 0.561 -7.191 14.232 1.00 50.00 O ATOM 0 H TYR A 115 -3.085 -11.139 17.803 1.00 10.00 H new ATOM 0 HA TYR A 115 -2.234 -13.617 16.291 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -2.819 -12.313 14.470 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -3.724 -11.368 15.635 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -2.270 -9.519 16.942 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -1.248 -11.227 13.135 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -0.838 -7.556 16.443 1.00 50.00 H new ATOM 0 HE2 TYR A 115 0.184 -9.265 12.638 1.00 50.00 H new ATOM 0 HH TYR A 115 0.018 -6.376 14.257 1.00 50.00 H new ATOM 1683 N ASN A 116 0.190 -12.996 15.966 1.00 10.00 N ATOM 1684 CA ASN A 116 1.668 -12.823 16.111 1.00 10.00 C ATOM 1685 C ASN A 116 2.152 -13.476 17.408 1.00 10.00 C ATOM 1686 O ASN A 116 2.789 -12.848 18.230 1.00 10.00 O ATOM 1687 CB ASN A 116 1.904 -11.311 16.148 1.00 10.00 C ATOM 1688 CG ASN A 116 3.273 -10.994 15.541 1.00 10.00 C ATOM 1689 OD1 ASN A 116 4.154 -11.831 15.530 1.00 10.00 O ATOM 1690 ND2 ASN A 116 3.490 -9.813 15.031 1.00 10.00 N ATOM 0 H ASN A 116 -0.096 -13.670 15.256 1.00 10.00 H new ATOM 0 HA ASN A 116 2.215 -13.293 15.294 1.00 10.00 H new ATOM 0 HB2 ASN A 116 1.120 -10.796 15.593 1.00 10.00 H new ATOM 0 HB3 ASN A 116 1.857 -10.950 17.175 1.00 10.00 H new ATOM 0 HD21 ASN A 116 4.399 -9.593 14.623 1.00 10.00 H new ATOM 0 HD22 ASN A 116 2.751 -9.110 15.040 1.00 10.00 H new ATOM 1697 N ALA A 117 1.856 -14.734 17.598 1.00 10.00 N ATOM 1698 CA ALA A 117 2.304 -15.425 18.844 1.00 10.00 C ATOM 1699 C ALA A 117 3.821 -15.618 18.823 1.00 10.00 C ATOM 1700 O ALA A 117 4.458 -15.717 19.854 1.00 10.00 O ATOM 1701 CB ALA A 117 1.589 -16.777 18.828 1.00 50.00 C ATOM 0 H ALA A 117 1.325 -15.312 16.947 1.00 10.00 H new ATOM 0 HA ALA A 117 2.069 -14.853 19.741 1.00 10.00 H new ATOM 0 HB1 ALA A 117 1.867 -17.346 19.715 1.00 50.00 H new ATOM 0 HB2 ALA A 117 0.511 -16.618 18.822 1.00 50.00 H new ATOM 0 HB3 ALA A 117 1.879 -17.331 17.935 1.00 50.00 H new HETATM 1707 OH ALY A 118 9.253 -11.285 16.293 1.00 0.00 O HETATM 1708 CH ALY A 118 8.541 -10.835 15.417 1.00 0.00 C HETATM 1709 CH3 ALY A 118 8.924 -9.562 14.659 1.00 0.00 C HETATM 1710 NZ ALY A 118 7.420 -11.417 15.087 1.00 50.00 N HETATM 1711 CE ALY A 118 7.573 -12.895 15.202 1.00 50.00 C HETATM 1712 CD ALY A 118 6.273 -13.470 14.634 1.00 12.50 C HETATM 1713 CG ALY A 118 5.506 -14.188 15.746 1.00 12.50 C HETATM 1714 CB ALY A 118 6.259 -15.458 16.148 1.00 12.50 C HETATM 1715 CA ALY A 118 5.885 -15.846 17.580 1.00 12.50 C HETATM 1716 N ALY A 118 4.407 -15.666 17.660 1.00 12.50 N HETATM 1717 C ALY A 118 6.576 -14.924 18.588 1.00 12.50 C HETATM 1718 O ALY A 118 7.674 -15.190 19.036 1.00 12.50 O HETATM 0 HH33 ALY A 118 9.012 -8.733 15.361 1.00 0.00 H new HETATM 0 HH32 ALY A 118 9.878 -9.712 14.154 1.00 0.00 H new HETATM 0 HH31 ALY A 118 8.155 -9.333 13.921 1.00 0.00 H new HETATM 0 HZ ALY A 118 6.570 -10.934 14.795 1.00 50.00 H new HETATM 0 HG3 ALY A 118 4.502 -14.440 15.405 1.00 12.50 H new HETATM 0 HG2 ALY A 118 5.394 -13.531 16.608 1.00 12.50 H new HETATM 0 HE3 ALY A 118 7.719 -13.198 16.239 1.00 50.00 H new HETATM 0 HE2 ALY A 118 8.439 -13.247 14.642 1.00 50.00 H new HETATM 0 HD3 ALY A 118 6.493 -14.164 13.823 1.00 12.50 H new HETATM 0 HD2 ALY A 118 5.662 -12.671 14.213 1.00 12.50 H new HETATM 0 HCA ALY A 118 6.193 -16.865 17.814 1.00 12.50 H new HETATM 0 HB3 ALY A 118 7.334 -15.294 16.074 1.00 12.50 H new HETATM 0 HB2 ALY A 118 6.013 -16.270 15.464 1.00 12.50 H new HETATM 0 H ALY A 118 3.888 -15.343 16.844 1.00 12.50 H new ATOM 1732 N HIS A 119 5.939 -13.844 18.950 1.00 50.00 N ATOM 1733 CA HIS A 119 6.555 -12.907 19.932 1.00 50.00 C ATOM 1734 C HIS A 119 6.737 -13.608 21.280 1.00 50.00 C ATOM 1735 O HIS A 119 7.547 -13.207 22.092 1.00 50.00 O ATOM 1736 CB HIS A 119 5.561 -11.753 20.058 1.00 50.00 C ATOM 1737 CG HIS A 119 5.690 -10.849 18.863 1.00 50.00 C ATOM 1738 ND1 HIS A 119 6.900 -10.283 18.492 1.00 50.00 N ATOM 1739 CD2 HIS A 119 4.771 -10.405 17.944 1.00 50.00 C ATOM 1740 CE1 HIS A 119 6.679 -9.537 17.394 1.00 50.00 C ATOM 1741 NE2 HIS A 119 5.398 -9.576 17.018 1.00 50.00 N ATOM 0 H HIS A 119 5.018 -13.570 18.608 1.00 50.00 H new ATOM 0 HA HIS A 119 7.539 -12.562 19.615 1.00 50.00 H new ATOM 0 HB2 HIS A 119 4.544 -12.140 20.127 1.00 50.00 H new ATOM 0 HB3 HIS A 119 5.751 -11.193 20.974 1.00 50.00 H new ATOM 0 HD1 HIS A 119 7.795 -10.409 18.965 1.00 50.00 H new ATOM 0 HD2 HIS A 119 3.722 -10.660 17.940 1.00 50.00 H new ATOM 0 HE1 HIS A 119 7.444 -8.975 16.879 1.00 50.00 H new ATOM 1749 N LEU A 120 5.990 -14.651 21.522 1.00 12.50 N ATOM 1750 CA LEU A 120 6.121 -15.380 22.818 1.00 12.50 C ATOM 1751 C LEU A 120 7.598 -15.513 23.203 1.00 12.50 C ATOM 1752 O LEU A 120 8.440 -15.809 22.379 1.00 12.50 O ATOM 1753 CB LEU A 120 5.506 -16.755 22.561 1.00 12.50 C ATOM 1754 CG LEU A 120 4.553 -17.108 23.705 1.00 12.50 C ATOM 1755 CD1 LEU A 120 3.113 -16.809 23.282 1.00 12.50 C ATOM 1756 CD2 LEU A 120 4.687 -18.594 24.042 1.00 12.50 C ATOM 0 H LEU A 120 5.295 -15.030 20.879 1.00 12.50 H new ATOM 0 HA LEU A 120 5.626 -14.860 23.638 1.00 12.50 H new ATOM 0 HB2 LEU A 120 4.969 -16.754 21.613 1.00 12.50 H new ATOM 0 HB3 LEU A 120 6.291 -17.507 22.482 1.00 12.50 H new ATOM 0 HG LEU A 120 4.805 -16.512 24.583 1.00 12.50 H new ATOM 0 HD11 LEU A 120 2.435 -17.061 24.097 1.00 12.50 H new ATOM 0 HD12 LEU A 120 3.016 -15.750 23.043 1.00 12.50 H new ATOM 0 HD13 LEU A 120 2.861 -17.403 22.404 1.00 12.50 H new ATOM 0 HD21 LEU A 120 4.008 -18.845 24.857 1.00 12.50 H new ATOM 0 HD22 LEU A 120 4.437 -19.190 23.164 1.00 12.50 H new ATOM 0 HD23 LEU A 120 5.712 -18.807 24.345 1.00 12.50 H new ATOM 1768 N ASP A 121 7.918 -15.289 24.448 1.00 50.00 N ATOM 1769 CA ASP A 121 9.341 -15.396 24.884 1.00 50.00 C ATOM 1770 C ASP A 121 9.851 -16.829 24.709 1.00 50.00 C ATOM 1771 O ASP A 121 11.040 -17.069 24.639 1.00 50.00 O ATOM 1772 CB ASP A 121 9.329 -15.011 26.363 1.00 50.00 C ATOM 1773 CG ASP A 121 8.933 -13.540 26.504 1.00 50.00 C ATOM 1774 OD1 ASP A 121 9.498 -12.724 25.795 1.00 50.00 O ATOM 1775 OD2 ASP A 121 8.071 -13.254 27.320 1.00 50.00 O ATOM 0 H ASP A 121 7.257 -15.037 25.182 1.00 50.00 H new ATOM 0 HA ASP A 121 9.999 -14.755 24.297 1.00 50.00 H new ATOM 0 HB2 ASP A 121 8.627 -15.642 26.908 1.00 50.00 H new ATOM 0 HB3 ASP A 121 10.313 -15.177 26.801 1.00 50.00 H new ATOM 1780 N TYR A 122 8.964 -17.784 24.641 1.00 16.66 N ATOM 1781 CA TYR A 122 9.406 -19.199 24.475 1.00 16.66 C ATOM 1782 C TYR A 122 9.992 -19.416 23.077 1.00 16.66 C ATOM 1783 O TYR A 122 10.840 -20.261 22.873 1.00 16.66 O ATOM 1784 CB TYR A 122 8.141 -20.036 24.662 1.00 16.66 C ATOM 1785 CG TYR A 122 8.496 -21.332 25.349 1.00 16.66 C ATOM 1786 CD1 TYR A 122 9.249 -22.299 24.671 1.00 16.66 C ATOM 1787 CD2 TYR A 122 8.076 -21.567 26.663 1.00 16.66 C ATOM 1788 CE1 TYR A 122 9.581 -23.500 25.308 1.00 16.66 C ATOM 1789 CE2 TYR A 122 8.408 -22.769 27.300 1.00 16.66 C ATOM 1790 CZ TYR A 122 9.160 -23.736 26.622 1.00 16.66 C ATOM 1791 OH TYR A 122 9.488 -24.921 27.249 1.00 16.66 O ATOM 0 H TYR A 122 7.955 -17.647 24.693 1.00 16.66 H new ATOM 0 HA TYR A 122 10.184 -19.471 25.188 1.00 16.66 H new ATOM 0 HB2 TYR A 122 7.411 -19.485 25.255 1.00 16.66 H new ATOM 0 HB3 TYR A 122 7.679 -20.238 23.696 1.00 16.66 H new ATOM 0 HD1 TYR A 122 9.573 -22.118 23.657 1.00 16.66 H new ATOM 0 HD2 TYR A 122 7.496 -20.821 27.186 1.00 16.66 H new ATOM 0 HE1 TYR A 122 10.162 -24.245 24.786 1.00 16.66 H new ATOM 0 HE2 TYR A 122 8.084 -22.950 28.314 1.00 16.66 H new ATOM 0 HH TYR A 122 9.119 -24.924 28.157 1.00 16.66 H new ATOM 1801 N LEU A 123 9.546 -18.661 22.112 1.00 50.00 N ATOM 1802 CA LEU A 123 10.077 -18.828 20.728 1.00 50.00 C ATOM 1803 C LEU A 123 11.182 -17.803 20.456 1.00 50.00 C ATOM 1804 O LEU A 123 12.138 -18.076 19.759 1.00 50.00 O ATOM 1805 CB LEU A 123 8.879 -18.579 19.812 1.00 50.00 C ATOM 1806 CG LEU A 123 8.217 -19.914 19.461 1.00 50.00 C ATOM 1807 CD1 LEU A 123 6.920 -19.652 18.693 1.00 50.00 C ATOM 1808 CD2 LEU A 123 9.166 -20.742 18.592 1.00 50.00 C ATOM 0 H LEU A 123 8.837 -17.936 22.221 1.00 50.00 H new ATOM 0 HA LEU A 123 10.514 -19.814 20.570 1.00 50.00 H new ATOM 0 HB2 LEU A 123 8.161 -17.924 20.305 1.00 50.00 H new ATOM 0 HB3 LEU A 123 9.202 -18.071 18.903 1.00 50.00 H new ATOM 0 HG LEU A 123 7.994 -20.461 20.377 1.00 50.00 H new ATOM 0 HD11 LEU A 123 6.447 -20.602 18.442 1.00 50.00 H new ATOM 0 HD12 LEU A 123 6.244 -19.062 19.312 1.00 50.00 H new ATOM 0 HD13 LEU A 123 7.144 -19.105 17.777 1.00 50.00 H new ATOM 0 HD21 LEU A 123 8.695 -21.692 18.342 1.00 50.00 H new ATOM 0 HD22 LEU A 123 9.390 -20.196 17.676 1.00 50.00 H new ATOM 0 HD23 LEU A 123 10.091 -20.928 19.138 1.00 50.00 H new ATOM 1820 N GLN A 124 11.056 -16.623 20.996 1.00 50.00 N ATOM 1821 CA GLN A 124 12.096 -15.579 20.764 1.00 50.00 C ATOM 1822 C GLN A 124 13.501 -16.183 20.869 1.00 50.00 C ATOM 1823 O GLN A 124 14.436 -15.713 20.251 1.00 50.00 O ATOM 1824 CB GLN A 124 11.875 -14.551 21.873 1.00 50.00 C ATOM 1825 CG GLN A 124 12.198 -13.154 21.342 1.00 50.00 C ATOM 1826 CD GLN A 124 11.099 -12.180 21.767 1.00 50.00 C ATOM 1827 OE1 GLN A 124 9.994 -12.586 22.069 1.00 50.00 O ATOM 1828 NE2 GLN A 124 11.356 -10.901 21.803 1.00 50.00 N ATOM 0 H GLN A 124 10.277 -16.335 21.589 1.00 50.00 H new ATOM 0 HA GLN A 124 12.018 -15.138 19.770 1.00 50.00 H new ATOM 0 HB2 GLN A 124 10.842 -14.590 22.220 1.00 50.00 H new ATOM 0 HB3 GLN A 124 12.508 -14.782 22.730 1.00 50.00 H new ATOM 0 HG2 GLN A 124 13.162 -12.821 21.726 1.00 50.00 H new ATOM 0 HG3 GLN A 124 12.279 -13.176 20.255 1.00 50.00 H new ATOM 0 HE21 GLN A 124 12.283 -10.560 21.550 1.00 50.00 H new ATOM 0 HE22 GLN A 124 10.630 -10.243 22.085 1.00 50.00 H new ATOM 1837 N ASN A 125 13.658 -17.214 21.651 1.00 50.00 N ATOM 1838 CA ASN A 125 15.006 -17.839 21.802 1.00 50.00 C ATOM 1839 C ASN A 125 15.467 -18.454 20.476 1.00 50.00 C ATOM 1840 O ASN A 125 16.638 -18.713 20.279 1.00 50.00 O ATOM 1841 CB ASN A 125 14.822 -18.926 22.861 1.00 50.00 C ATOM 1842 CG ASN A 125 16.168 -19.594 23.146 1.00 50.00 C ATOM 1843 OD1 ASN A 125 16.354 -20.760 22.858 1.00 50.00 O ATOM 1844 ND2 ASN A 125 17.122 -18.901 23.706 1.00 50.00 N ATOM 0 H ASN A 125 12.913 -17.652 22.193 1.00 50.00 H new ATOM 0 HA ASN A 125 15.764 -17.110 22.089 1.00 50.00 H new ATOM 0 HB2 ASN A 125 14.418 -18.492 23.776 1.00 50.00 H new ATOM 0 HB3 ASN A 125 14.102 -19.668 22.515 1.00 50.00 H new ATOM 0 HD21 ASN A 125 18.023 -19.338 23.901 1.00 50.00 H new ATOM 0 HD22 ASN A 125 16.967 -17.922 23.948 1.00 50.00 H new ATOM 1851 N ARG A 126 14.561 -18.692 19.569 1.00 50.00 N ATOM 1852 CA ARG A 126 14.957 -19.293 18.262 1.00 50.00 C ATOM 1853 C ARG A 126 15.820 -18.313 17.462 1.00 50.00 C ATOM 1854 O ARG A 126 16.504 -18.692 16.532 1.00 50.00 O ATOM 1855 CB ARG A 126 13.641 -19.564 17.532 1.00 50.00 C ATOM 1856 CG ARG A 126 13.422 -21.072 17.418 1.00 50.00 C ATOM 1857 CD ARG A 126 13.880 -21.549 16.038 1.00 50.00 C ATOM 1858 NE ARG A 126 14.501 -22.881 16.282 1.00 50.00 N ATOM 1859 CZ ARG A 126 14.094 -23.922 15.609 1.00 50.00 C ATOM 1860 NH1 ARG A 126 14.801 -24.369 14.608 1.00 50.00 N ATOM 1861 NH2 ARG A 126 12.979 -24.515 15.937 1.00 50.00 N ATOM 0 H ARG A 126 13.565 -18.497 19.674 1.00 50.00 H new ATOM 0 HA ARG A 126 15.547 -20.200 18.392 1.00 50.00 H new ATOM 0 HB2 ARG A 126 12.812 -19.105 18.072 1.00 50.00 H new ATOM 0 HB3 ARG A 126 13.664 -19.113 16.540 1.00 50.00 H new ATOM 0 HG2 ARG A 126 13.979 -21.591 18.198 1.00 50.00 H new ATOM 0 HG3 ARG A 126 12.369 -21.310 17.566 1.00 50.00 H new ATOM 0 HD2 ARG A 126 13.040 -21.625 15.347 1.00 50.00 H new ATOM 0 HD3 ARG A 126 14.595 -20.854 15.596 1.00 50.00 H new ATOM 0 HE ARG A 126 15.244 -22.979 16.974 1.00 50.00 H new ATOM 0 HH11 ARG A 126 15.672 -23.905 14.351 1.00 50.00 H new ATOM 0 HH12 ARG A 126 14.483 -25.183 14.082 1.00 50.00 H new ATOM 0 HH21 ARG A 126 12.426 -24.165 16.719 1.00 50.00 H new ATOM 0 HH22 ARG A 126 12.660 -25.329 15.411 1.00 50.00 H new ATOM 1875 N VAL A 127 15.792 -17.056 17.813 1.00 50.00 N ATOM 1876 CA VAL A 127 16.611 -16.056 17.067 1.00 50.00 C ATOM 1877 C VAL A 127 18.055 -16.548 16.935 1.00 50.00 C ATOM 1878 O VAL A 127 18.659 -16.993 17.890 1.00 50.00 O ATOM 1879 CB VAL A 127 16.551 -14.785 17.914 1.00 50.00 C ATOM 1880 CG1 VAL A 127 17.605 -13.793 17.420 1.00 50.00 C ATOM 1881 CG2 VAL A 127 15.161 -14.157 17.791 1.00 50.00 C ATOM 0 H VAL A 127 15.239 -16.678 18.582 1.00 50.00 H new ATOM 0 HA VAL A 127 16.240 -15.889 16.056 1.00 50.00 H new ATOM 0 HB VAL A 127 16.747 -15.033 18.957 1.00 50.00 H new ATOM 0 HG11 VAL A 127 17.563 -12.886 18.024 1.00 50.00 H new ATOM 0 HG12 VAL A 127 18.595 -14.241 17.507 1.00 50.00 H new ATOM 0 HG13 VAL A 127 17.410 -13.544 16.377 1.00 50.00 H new ATOM 0 HG21 VAL A 127 15.117 -13.250 18.395 1.00 50.00 H new ATOM 0 HG22 VAL A 127 14.965 -13.908 16.748 1.00 50.00 H new ATOM 0 HG23 VAL A 127 14.410 -14.864 18.143 1.00 50.00 H new ATOM 1891 N ILE A 128 18.613 -16.471 15.757 1.00 50.00 N ATOM 1892 CA ILE A 128 20.017 -16.935 15.565 1.00 50.00 C ATOM 1893 C ILE A 128 20.995 -15.784 15.817 1.00 50.00 C ATOM 1894 O ILE A 128 20.549 -14.742 16.267 1.00 50.00 O ATOM 1895 CB ILE A 128 20.089 -17.389 14.106 1.00 50.00 C ATOM 1896 CG1 ILE A 128 21.461 -18.007 13.829 1.00 50.00 C ATOM 1897 CG2 ILE A 128 19.878 -16.184 13.188 1.00 50.00 C ATOM 1898 CD1 ILE A 128 21.292 -19.258 12.963 1.00 50.00 C ATOM 1899 OXT ILE A 128 22.173 -15.965 15.556 1.00 50.00 O ATOM 0 H ILE A 128 18.158 -16.107 14.920 1.00 50.00 H new ATOM 0 HA ILE A 128 20.284 -17.735 16.255 1.00 50.00 H new ATOM 0 HB ILE A 128 19.313 -18.131 13.918 1.00 50.00 H new ATOM 0 HG12 ILE A 128 22.101 -17.285 13.322 1.00 50.00 H new ATOM 0 HG13 ILE A 128 21.952 -18.265 14.768 1.00 50.00 H new ATOM 0 HG21 ILE A 128 19.929 -16.506 12.148 1.00 50.00 H new ATOM 0 HG22 ILE A 128 18.900 -15.744 13.384 1.00 50.00 H new ATOM 0 HG23 ILE A 128 20.654 -15.442 13.377 1.00 50.00 H new ATOM 0 HD11 ILE A 128 22.269 -19.699 12.765 1.00 50.00 H new ATOM 0 HD12 ILE A 128 20.667 -19.981 13.487 1.00 50.00 H new ATOM 0 HD13 ILE A 128 20.819 -18.986 12.019 1.00 50.00 H new TER 1911 ILE A 128 HETATM 1912 FE1 FES A 130 2.502 -23.696 9.722 1.00 0.00 FE HETATM 1913 FE2 FES A 130 0.285 -22.322 10.290 1.00 0.00 FE HETATM 1914 S1 FES A 130 1.971 -21.646 8.959 1.00 0.00 S HETATM 1915 S2 FES A 130 0.859 -24.328 11.125 1.00 0.00 S