USER MOD reduce.3.24.130724 H: found=0, std=0, add=997, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 990 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 TYR OH : rot -15:sc= 1.15 USER MOD Set 1.2: A 83 HIS : no HD1:sc= 0.987 K(o=2.1,f=-5.3!) USER MOD Set 2.1: A 13 HIS : no HE2:sc= -3.16! C(o=-2.8!,f=-6.9!) USER MOD Set 2.2: A 79 LYS NZ :NH3+ -178:sc= 0.337 (180deg=0.262) USER MOD Set 3.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 22 HIS : no HD1:sc= -0.917 X(o=-0.92,f=-0.98) USER MOD Set 4.1: A 1 MET CE :methyl -162:sc= -0.163 (180deg=-0.652) USER MOD Set 4.2: A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -162:sc= 1.08 (180deg=0.842) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 20 MET CE :methyl 138:sc= -0.0108 (180deg=-0.634) USER MOD Single : A 27 MET CE :methyl -171:sc= -0.506 (180deg=-0.752) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0655 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -120:sc= 1.31 (180deg=-0.416) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 151:sc= 1.25 (180deg=1.14) USER MOD Single : A 71 TYR OH : rot -142:sc= 0.923 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 159:sc= 1.2 (180deg=0.536) USER MOD Single : A 78 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00784) USER MOD Single : A 85 LYS NZ :NH3+ -173:sc= 0.793 (180deg=0.623) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.595 USER MOD Single : A 92 ASN : amide:sc= -0.0629 K(o=-0.063,f=-2.7!) USER MOD Single : A 99 ASN :FLIP amide:sc= -0.0953 F(o=-1.9!,f=-0.095) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -161:sc= 1.24 (180deg=0.699) USER MOD Single : A 123 LYS NZ :NH3+ -179:sc= 1.27 (180deg=1.23) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.399 -19.410 1.381 1.00 0.00 N ATOM 2 CA MET A 1 -3.140 -18.276 1.917 1.00 52.33 C ATOM 3 C MET A 1 -2.536 -16.989 1.442 1.00 64.14 C ATOM 4 O MET A 1 -1.521 -16.535 1.965 1.00 3.31 O ATOM 5 CB MET A 1 -3.195 -18.296 3.448 1.00 24.20 C ATOM 6 CG MET A 1 -4.069 -19.385 4.034 1.00 32.55 C ATOM 7 SD MET A 1 -5.801 -19.239 3.525 1.00 14.11 S ATOM 8 CE MET A 1 -6.221 -17.627 4.197 1.00 22.43 C ATOM 0 H1 MET A 1 -2.828 -20.296 1.718 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.429 -19.384 0.342 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.410 -19.361 1.700 1.00 0.00 H new ATOM 0 HA MET A 1 -4.163 -18.354 1.550 1.00 52.33 H new ATOM 0 HB2 MET A 1 -2.182 -18.415 3.833 1.00 24.20 H new ATOM 0 HB3 MET A 1 -3.558 -17.330 3.798 1.00 24.20 H new ATOM 0 HG2 MET A 1 -3.685 -20.358 3.727 1.00 32.55 H new ATOM 0 HG3 MET A 1 -4.010 -19.347 5.122 1.00 32.55 H new ATOM 0 HE1 MET A 1 -7.305 -17.528 4.254 1.00 22.43 H new ATOM 0 HE2 MET A 1 -5.795 -17.527 5.195 1.00 22.43 H new ATOM 0 HE3 MET A 1 -5.819 -16.847 3.550 1.00 22.43 H new ATOM 17 N LYS A 2 -3.121 -16.426 0.426 1.00 71.24 N ATOM 18 CA LYS A 2 -2.660 -15.179 -0.106 1.00 22.43 C ATOM 19 C LYS A 2 -3.516 -14.051 0.411 1.00 51.41 C ATOM 20 O LYS A 2 -4.715 -14.219 0.652 1.00 43.21 O ATOM 21 CB LYS A 2 -2.666 -15.195 -1.642 1.00 12.24 C ATOM 22 CG LYS A 2 -1.651 -16.137 -2.289 1.00 53.34 C ATOM 23 CD LYS A 2 -0.219 -15.722 -1.970 1.00 25.42 C ATOM 24 CE LYS A 2 0.794 -16.582 -2.713 1.00 12.12 C ATOM 25 NZ LYS A 2 2.190 -16.158 -2.440 1.00 74.22 N ATOM 0 H LYS A 2 -3.930 -16.818 -0.056 1.00 71.24 H new ATOM 0 HA LYS A 2 -1.632 -15.026 0.222 1.00 22.43 H new ATOM 0 HB2 LYS A 2 -3.663 -15.473 -1.982 1.00 12.24 H new ATOM 0 HB3 LYS A 2 -2.478 -14.183 -2.000 1.00 12.24 H new ATOM 0 HG2 LYS A 2 -1.823 -17.155 -1.938 1.00 53.34 H new ATOM 0 HG3 LYS A 2 -1.797 -16.144 -3.369 1.00 53.34 H new ATOM 0 HD2 LYS A 2 -0.075 -14.675 -2.239 1.00 25.42 H new ATOM 0 HD3 LYS A 2 -0.047 -15.802 -0.897 1.00 25.42 H new ATOM 0 HE2 LYS A 2 0.668 -17.625 -2.421 1.00 12.12 H new ATOM 0 HE3 LYS A 2 0.601 -16.526 -3.784 1.00 12.12 H new ATOM 0 HZ1 LYS A 2 2.820 -16.544 -3.172 1.00 74.22 H new ATOM 0 HZ2 LYS A 2 2.245 -15.120 -2.449 1.00 74.22 H new ATOM 0 HZ3 LYS A 2 2.484 -16.513 -1.508 1.00 74.22 H new ATOM 39 N TYR A 3 -2.893 -12.944 0.659 1.00 44.40 N ATOM 40 CA TYR A 3 -3.564 -11.751 1.067 1.00 12.53 C ATOM 41 C TYR A 3 -3.378 -10.666 0.020 1.00 30.12 C ATOM 42 O TYR A 3 -2.299 -10.544 -0.601 1.00 4.24 O ATOM 43 CB TYR A 3 -3.117 -11.314 2.474 1.00 51.45 C ATOM 44 CG TYR A 3 -3.602 -12.274 3.551 1.00 61.23 C ATOM 45 CD1 TYR A 3 -3.092 -13.561 3.640 1.00 13.21 C ATOM 46 CD2 TYR A 3 -4.598 -11.910 4.442 1.00 53.45 C ATOM 47 CE1 TYR A 3 -3.547 -14.449 4.576 1.00 54.23 C ATOM 48 CE2 TYR A 3 -5.063 -12.803 5.387 1.00 73.44 C ATOM 49 CZ TYR A 3 -4.530 -14.071 5.445 1.00 74.41 C ATOM 50 OH TYR A 3 -4.987 -14.966 6.374 1.00 64.43 O ATOM 0 H TYR A 3 -1.881 -12.842 0.582 1.00 44.40 H new ATOM 0 HA TYR A 3 -4.633 -11.948 1.141 1.00 12.53 H new ATOM 0 HB2 TYR A 3 -2.029 -11.253 2.506 1.00 51.45 H new ATOM 0 HB3 TYR A 3 -3.498 -10.314 2.681 1.00 51.45 H new ATOM 0 HD1 TYR A 3 -2.317 -13.869 2.954 1.00 13.21 H new ATOM 0 HD2 TYR A 3 -5.016 -10.915 4.397 1.00 53.45 H new ATOM 0 HE1 TYR A 3 -3.131 -15.444 4.627 1.00 54.23 H new ATOM 0 HE2 TYR A 3 -5.840 -12.508 6.077 1.00 73.44 H new ATOM 0 HH TYR A 3 -5.685 -14.545 6.918 1.00 64.43 H new ATOM 60 N ASP A 4 -4.429 -9.938 -0.182 1.00 21.02 N ATOM 61 CA ASP A 4 -4.560 -8.925 -1.197 1.00 12.52 C ATOM 62 C ASP A 4 -4.637 -7.569 -0.561 1.00 42.31 C ATOM 63 O ASP A 4 -5.606 -7.236 0.102 1.00 43.52 O ATOM 64 CB ASP A 4 -5.817 -9.226 -2.022 1.00 13.23 C ATOM 65 CG ASP A 4 -6.093 -8.238 -3.123 1.00 13.54 C ATOM 66 OD1 ASP A 4 -5.364 -8.244 -4.120 1.00 3.04 O ATOM 67 OD2 ASP A 4 -7.104 -7.522 -3.036 1.00 23.40 O ATOM 0 H ASP A 4 -5.271 -10.035 0.386 1.00 21.02 H new ATOM 0 HA ASP A 4 -3.691 -8.930 -1.855 1.00 12.52 H new ATOM 0 HB2 ASP A 4 -5.720 -10.220 -2.459 1.00 13.23 H new ATOM 0 HB3 ASP A 4 -6.677 -9.255 -1.353 1.00 13.23 H new ATOM 72 N VAL A 5 -3.602 -6.818 -0.711 1.00 25.14 N ATOM 73 CA VAL A 5 -3.543 -5.512 -0.127 1.00 13.55 C ATOM 74 C VAL A 5 -4.126 -4.480 -1.095 1.00 43.54 C ATOM 75 O VAL A 5 -3.623 -4.288 -2.214 1.00 53.31 O ATOM 76 CB VAL A 5 -2.085 -5.120 0.331 1.00 22.31 C ATOM 77 CG1 VAL A 5 -1.062 -5.257 -0.794 1.00 44.34 C ATOM 78 CG2 VAL A 5 -2.053 -3.707 0.904 1.00 71.12 C ATOM 0 H VAL A 5 -2.772 -7.085 -1.239 1.00 25.14 H new ATOM 0 HA VAL A 5 -4.149 -5.525 0.779 1.00 13.55 H new ATOM 0 HB VAL A 5 -1.805 -5.826 1.113 1.00 22.31 H new ATOM 0 HG11 VAL A 5 -0.076 -4.975 -0.425 1.00 44.34 H new ATOM 0 HG12 VAL A 5 -1.038 -6.290 -1.140 1.00 44.34 H new ATOM 0 HG13 VAL A 5 -1.341 -4.604 -1.621 1.00 44.34 H new ATOM 0 HG21 VAL A 5 -1.036 -3.462 1.212 1.00 71.12 H new ATOM 0 HG22 VAL A 5 -2.382 -2.999 0.144 1.00 71.12 H new ATOM 0 HG23 VAL A 5 -2.717 -3.649 1.766 1.00 71.12 H new ATOM 88 N VAL A 6 -5.202 -3.874 -0.685 1.00 23.13 N ATOM 89 CA VAL A 6 -5.839 -2.847 -1.456 1.00 73.44 C ATOM 90 C VAL A 6 -5.542 -1.526 -0.783 1.00 73.04 C ATOM 91 O VAL A 6 -5.915 -1.311 0.379 1.00 51.53 O ATOM 92 CB VAL A 6 -7.381 -3.040 -1.533 1.00 71.22 C ATOM 93 CG1 VAL A 6 -8.041 -1.931 -2.350 1.00 53.40 C ATOM 94 CG2 VAL A 6 -7.734 -4.403 -2.099 1.00 31.53 C ATOM 0 H VAL A 6 -5.665 -4.080 0.200 1.00 23.13 H new ATOM 0 HA VAL A 6 -5.456 -2.883 -2.476 1.00 73.44 H new ATOM 0 HB VAL A 6 -7.768 -2.983 -0.516 1.00 71.22 H new ATOM 0 HG11 VAL A 6 -9.118 -2.096 -2.384 1.00 53.40 H new ATOM 0 HG12 VAL A 6 -7.836 -0.966 -1.886 1.00 53.40 H new ATOM 0 HG13 VAL A 6 -7.641 -1.938 -3.364 1.00 53.40 H new ATOM 0 HG21 VAL A 6 -8.818 -4.510 -2.141 1.00 31.53 H new ATOM 0 HG22 VAL A 6 -7.321 -4.498 -3.103 1.00 31.53 H new ATOM 0 HG23 VAL A 6 -7.317 -5.181 -1.460 1.00 31.53 H new ATOM 104 N ILE A 7 -4.855 -0.683 -1.464 1.00 15.40 N ATOM 105 CA ILE A 7 -4.498 0.596 -0.937 1.00 41.34 C ATOM 106 C ILE A 7 -5.039 1.707 -1.821 1.00 4.23 C ATOM 107 O ILE A 7 -4.682 1.822 -2.999 1.00 33.11 O ATOM 108 CB ILE A 7 -2.954 0.734 -0.733 1.00 13.23 C ATOM 109 CG1 ILE A 7 -2.577 2.176 -0.351 1.00 4.34 C ATOM 110 CG2 ILE A 7 -2.182 0.267 -1.960 1.00 43.03 C ATOM 111 CD1 ILE A 7 -1.095 2.403 -0.157 1.00 20.31 C ATOM 0 H ILE A 7 -4.519 -0.856 -2.411 1.00 15.40 H new ATOM 0 HA ILE A 7 -4.956 0.687 0.048 1.00 41.34 H new ATOM 0 HB ILE A 7 -2.671 0.082 0.094 1.00 13.23 H new ATOM 0 HG12 ILE A 7 -2.937 2.851 -1.128 1.00 4.34 H new ATOM 0 HG13 ILE A 7 -3.097 2.443 0.569 1.00 4.34 H new ATOM 0 HG21 ILE A 7 -1.113 0.378 -1.781 1.00 43.03 H new ATOM 0 HG22 ILE A 7 -2.410 -0.781 -2.157 1.00 43.03 H new ATOM 0 HG23 ILE A 7 -2.470 0.869 -2.822 1.00 43.03 H new ATOM 0 HD11 ILE A 7 -0.918 3.445 0.110 1.00 20.31 H new ATOM 0 HD12 ILE A 7 -0.729 1.757 0.641 1.00 20.31 H new ATOM 0 HD13 ILE A 7 -0.567 2.171 -1.082 1.00 20.31 H new ATOM 123 N ILE A 8 -5.924 2.486 -1.279 1.00 73.43 N ATOM 124 CA ILE A 8 -6.468 3.597 -2.000 1.00 65.44 C ATOM 125 C ILE A 8 -5.973 4.909 -1.402 1.00 42.41 C ATOM 126 O ILE A 8 -6.257 5.227 -0.238 1.00 43.33 O ATOM 127 CB ILE A 8 -8.039 3.565 -2.110 1.00 14.43 C ATOM 128 CG1 ILE A 8 -8.559 4.817 -2.860 1.00 22.13 C ATOM 129 CG2 ILE A 8 -8.713 3.409 -0.751 1.00 74.12 C ATOM 130 CD1 ILE A 8 -10.071 4.882 -3.013 1.00 5.41 C ATOM 0 H ILE A 8 -6.288 2.372 -0.333 1.00 73.43 H new ATOM 0 HA ILE A 8 -6.105 3.517 -3.025 1.00 65.44 H new ATOM 0 HB ILE A 8 -8.306 2.682 -2.690 1.00 14.43 H new ATOM 0 HG12 ILE A 8 -8.222 5.708 -2.330 1.00 22.13 H new ATOM 0 HG13 ILE A 8 -8.105 4.845 -3.851 1.00 22.13 H new ATOM 0 HG21 ILE A 8 -9.795 3.393 -0.881 1.00 74.12 H new ATOM 0 HG22 ILE A 8 -8.389 2.476 -0.289 1.00 74.12 H new ATOM 0 HG23 ILE A 8 -8.437 4.246 -0.110 1.00 74.12 H new ATOM 0 HD11 ILE A 8 -10.344 5.791 -3.549 1.00 5.41 H new ATOM 0 HD12 ILE A 8 -10.418 4.013 -3.572 1.00 5.41 H new ATOM 0 HD13 ILE A 8 -10.536 4.889 -2.027 1.00 5.41 H new ATOM 142 N PRO A 9 -5.119 5.617 -2.135 1.00 43.21 N ATOM 143 CA PRO A 9 -4.691 6.933 -1.756 1.00 21.31 C ATOM 144 C PRO A 9 -5.607 7.983 -2.380 1.00 34.45 C ATOM 145 O PRO A 9 -6.168 7.772 -3.460 1.00 64.30 O ATOM 146 CB PRO A 9 -3.280 7.018 -2.352 1.00 63.15 C ATOM 147 CG PRO A 9 -3.305 6.126 -3.561 1.00 21.05 C ATOM 148 CD PRO A 9 -4.466 5.167 -3.386 1.00 61.21 C ATOM 0 HA PRO A 9 -4.713 7.109 -0.681 1.00 21.31 H new ATOM 0 HB2 PRO A 9 -3.030 8.043 -2.625 1.00 63.15 H new ATOM 0 HB3 PRO A 9 -2.529 6.687 -1.634 1.00 63.15 H new ATOM 0 HG2 PRO A 9 -3.426 6.714 -4.471 1.00 21.05 H new ATOM 0 HG3 PRO A 9 -2.366 5.580 -3.656 1.00 21.05 H new ATOM 0 HD2 PRO A 9 -5.152 5.212 -4.232 1.00 61.21 H new ATOM 0 HD3 PRO A 9 -4.123 4.135 -3.308 1.00 61.21 H new ATOM 156 N GLU A 10 -5.801 9.056 -1.704 1.00 50.30 N ATOM 157 CA GLU A 10 -6.594 10.134 -2.205 1.00 51.24 C ATOM 158 C GLU A 10 -6.092 11.412 -1.628 1.00 20.23 C ATOM 159 O GLU A 10 -5.102 11.409 -0.903 1.00 10.24 O ATOM 160 CB GLU A 10 -8.098 9.872 -1.926 1.00 64.14 C ATOM 161 CG GLU A 10 -8.465 9.561 -0.472 1.00 5.13 C ATOM 162 CD GLU A 10 -8.730 10.783 0.385 1.00 35.41 C ATOM 163 OE1 GLU A 10 -7.773 11.469 0.795 1.00 53.34 O ATOM 164 OE2 GLU A 10 -9.916 11.053 0.659 1.00 1.20 O ATOM 0 H GLU A 10 -5.412 9.219 -0.775 1.00 50.30 H new ATOM 0 HA GLU A 10 -6.503 10.211 -3.288 1.00 51.24 H new ATOM 0 HB2 GLU A 10 -8.664 10.747 -2.244 1.00 64.14 H new ATOM 0 HB3 GLU A 10 -8.423 9.039 -2.549 1.00 64.14 H new ATOM 0 HG2 GLU A 10 -9.351 8.927 -0.462 1.00 5.13 H new ATOM 0 HG3 GLU A 10 -7.656 8.985 -0.022 1.00 5.13 H new ATOM 171 N SER A 11 -6.676 12.483 -2.021 1.00 53.35 N ATOM 172 CA SER A 11 -6.380 13.751 -1.438 1.00 11.11 C ATOM 173 C SER A 11 -7.668 14.357 -0.884 1.00 23.23 C ATOM 174 O SER A 11 -8.513 14.825 -1.656 1.00 23.10 O ATOM 175 CB SER A 11 -5.728 14.656 -2.468 1.00 14.32 C ATOM 176 OG SER A 11 -4.527 14.080 -2.940 1.00 32.00 O ATOM 0 H SER A 11 -7.378 12.512 -2.760 1.00 53.35 H new ATOM 0 HA SER A 11 -5.675 13.633 -0.615 1.00 11.11 H new ATOM 0 HB2 SER A 11 -6.411 14.821 -3.301 1.00 14.32 H new ATOM 0 HB3 SER A 11 -5.522 15.631 -2.026 1.00 14.32 H new ATOM 0 HG SER A 11 -4.119 14.674 -3.604 1.00 32.00 H new ATOM 182 N PHE A 12 -7.815 14.311 0.448 1.00 23.14 N ATOM 183 CA PHE A 12 -9.009 14.765 1.167 1.00 65.23 C ATOM 184 C PHE A 12 -9.506 16.160 0.785 1.00 4.41 C ATOM 185 O PHE A 12 -9.039 17.184 1.286 1.00 73.05 O ATOM 186 CB PHE A 12 -8.892 14.574 2.713 1.00 32.13 C ATOM 187 CG PHE A 12 -7.680 15.189 3.439 1.00 51.15 C ATOM 188 CD1 PHE A 12 -7.619 16.540 3.724 1.00 13.24 C ATOM 189 CD2 PHE A 12 -6.648 14.387 3.893 1.00 24.42 C ATOM 190 CE1 PHE A 12 -6.565 17.076 4.436 1.00 20.12 C ATOM 191 CE2 PHE A 12 -5.586 14.918 4.596 1.00 53.54 C ATOM 192 CZ PHE A 12 -5.547 16.263 4.871 1.00 22.30 C ATOM 0 H PHE A 12 -7.090 13.949 1.067 1.00 23.14 H new ATOM 0 HA PHE A 12 -9.796 14.096 0.819 1.00 65.23 H new ATOM 0 HB2 PHE A 12 -9.794 14.984 3.167 1.00 32.13 H new ATOM 0 HB3 PHE A 12 -8.892 13.503 2.916 1.00 32.13 H new ATOM 0 HD1 PHE A 12 -8.412 17.189 3.383 1.00 13.24 H new ATOM 0 HD2 PHE A 12 -6.674 13.326 3.693 1.00 24.42 H new ATOM 0 HE1 PHE A 12 -6.541 18.134 4.651 1.00 20.12 H new ATOM 0 HE2 PHE A 12 -4.785 14.275 4.930 1.00 53.54 H new ATOM 0 HZ PHE A 12 -4.720 16.679 5.427 1.00 22.30 H new ATOM 202 N HIS A 13 -10.456 16.191 -0.113 1.00 64.25 N ATOM 203 CA HIS A 13 -11.022 17.407 -0.608 1.00 74.31 C ATOM 204 C HIS A 13 -12.470 17.195 -0.897 1.00 43.43 C ATOM 205 O HIS A 13 -12.950 16.067 -0.887 1.00 41.43 O ATOM 206 CB HIS A 13 -10.297 17.900 -1.878 1.00 23.13 C ATOM 207 CG HIS A 13 -8.888 18.325 -1.638 1.00 2.14 C ATOM 208 ND1 HIS A 13 -7.819 17.494 -1.785 1.00 31.31 N ATOM 209 CD2 HIS A 13 -8.393 19.496 -1.187 1.00 35.13 C ATOM 210 CE1 HIS A 13 -6.731 18.150 -1.421 1.00 31.01 C ATOM 211 NE2 HIS A 13 -7.018 19.378 -1.051 1.00 31.41 N ATOM 0 H HIS A 13 -10.862 15.351 -0.526 1.00 64.25 H new ATOM 0 HA HIS A 13 -10.902 18.175 0.157 1.00 74.31 H new ATOM 0 HB2 HIS A 13 -10.305 17.104 -2.622 1.00 23.13 H new ATOM 0 HB3 HIS A 13 -10.853 18.737 -2.301 1.00 23.13 H new ATOM 0 HD1 HIS A 13 -7.852 16.531 -2.119 1.00 31.31 H new ATOM 0 HD2 HIS A 13 -8.973 20.381 -0.968 1.00 35.13 H new ATOM 0 HE1 HIS A 13 -5.735 17.731 -1.427 1.00 31.01 H new ATOM 219 N ARG A 14 -13.163 18.263 -1.139 1.00 4.12 N ATOM 220 CA ARG A 14 -14.543 18.225 -1.456 1.00 32.14 C ATOM 221 C ARG A 14 -14.689 19.188 -2.579 1.00 51.42 C ATOM 222 O ARG A 14 -13.941 20.176 -2.617 1.00 60.41 O ATOM 223 CB ARG A 14 -15.459 18.702 -0.290 1.00 1.41 C ATOM 224 CG ARG A 14 -15.176 18.140 1.118 1.00 53.12 C ATOM 225 CD ARG A 14 -13.997 18.856 1.782 1.00 64.23 C ATOM 226 NE ARG A 14 -14.208 20.316 1.824 1.00 13.40 N ATOM 227 CZ ARG A 14 -13.283 21.240 2.135 1.00 73.05 C ATOM 228 NH1 ARG A 14 -12.055 20.881 2.481 1.00 64.21 N ATOM 229 NH2 ARG A 14 -13.601 22.525 2.097 1.00 60.05 N ATOM 0 H ARG A 14 -12.769 19.204 -1.119 1.00 4.12 H new ATOM 0 HA ARG A 14 -14.843 17.202 -1.682 1.00 32.14 H new ATOM 0 HB2 ARG A 14 -15.396 19.789 -0.237 1.00 1.41 H new ATOM 0 HB3 ARG A 14 -16.488 18.455 -0.549 1.00 1.41 H new ATOM 0 HG2 ARG A 14 -16.065 18.248 1.739 1.00 53.12 H new ATOM 0 HG3 ARG A 14 -14.963 17.073 1.049 1.00 53.12 H new ATOM 0 HD2 ARG A 14 -13.863 18.477 2.795 1.00 64.23 H new ATOM 0 HD3 ARG A 14 -13.080 18.635 1.235 1.00 64.23 H new ATOM 0 HE ARG A 14 -15.142 20.655 1.596 1.00 13.40 H new ATOM 0 HH11 ARG A 14 -11.803 19.893 2.514 1.00 64.21 H new ATOM 0 HH12 ARG A 14 -11.362 21.592 2.715 1.00 64.21 H new ATOM 0 HH21 ARG A 14 -14.544 22.809 1.833 1.00 60.05 H new ATOM 0 HH22 ARG A 14 -12.903 23.230 2.332 1.00 60.05 H new ATOM 243 N PHE A 15 -15.593 18.930 -3.479 1.00 1.45 N ATOM 244 CA PHE A 15 -15.829 19.819 -4.580 1.00 1.32 C ATOM 245 C PHE A 15 -16.485 21.081 -4.070 1.00 44.22 C ATOM 246 O PHE A 15 -17.699 21.128 -3.857 1.00 22.12 O ATOM 247 CB PHE A 15 -16.691 19.164 -5.660 1.00 54.35 C ATOM 248 CG PHE A 15 -16.024 18.046 -6.409 1.00 23.44 C ATOM 249 CD1 PHE A 15 -15.285 18.321 -7.537 1.00 11.34 C ATOM 250 CD2 PHE A 15 -16.149 16.727 -6.000 1.00 4.32 C ATOM 251 CE1 PHE A 15 -14.679 17.318 -8.250 1.00 1.24 C ATOM 252 CE2 PHE A 15 -15.543 15.708 -6.712 1.00 5.24 C ATOM 253 CZ PHE A 15 -14.804 16.004 -7.842 1.00 65.12 C ATOM 0 H PHE A 15 -16.186 18.100 -3.471 1.00 1.45 H new ATOM 0 HA PHE A 15 -14.871 20.064 -5.038 1.00 1.32 H new ATOM 0 HB2 PHE A 15 -17.599 18.780 -5.196 1.00 54.35 H new ATOM 0 HB3 PHE A 15 -16.997 19.929 -6.374 1.00 54.35 H new ATOM 0 HD1 PHE A 15 -15.180 19.344 -7.866 1.00 11.34 H new ATOM 0 HD2 PHE A 15 -16.725 16.493 -5.117 1.00 4.32 H new ATOM 0 HE1 PHE A 15 -14.103 17.556 -9.132 1.00 1.24 H new ATOM 0 HE2 PHE A 15 -15.647 14.684 -6.386 1.00 5.24 H new ATOM 0 HZ PHE A 15 -14.327 15.213 -8.402 1.00 65.12 H new ATOM 263 N ASP A 16 -15.668 22.054 -3.783 1.00 64.32 N ATOM 264 CA ASP A 16 -16.126 23.315 -3.267 1.00 4.15 C ATOM 265 C ASP A 16 -16.774 24.134 -4.364 1.00 53.54 C ATOM 266 O ASP A 16 -17.982 24.062 -4.570 1.00 34.14 O ATOM 267 CB ASP A 16 -14.980 24.085 -2.578 1.00 64.13 C ATOM 268 CG ASP A 16 -15.425 25.395 -1.953 1.00 71.15 C ATOM 269 OD1 ASP A 16 -15.475 26.412 -2.652 1.00 3.41 O ATOM 270 OD2 ASP A 16 -15.708 25.434 -0.741 1.00 41.11 O ATOM 0 H ASP A 16 -14.657 21.995 -3.901 1.00 64.32 H new ATOM 0 HA ASP A 16 -16.883 23.121 -2.507 1.00 4.15 H new ATOM 0 HB2 ASP A 16 -14.540 23.453 -1.806 1.00 64.13 H new ATOM 0 HB3 ASP A 16 -14.197 24.287 -3.309 1.00 64.13 H new ATOM 275 N LYS A 17 -15.979 24.834 -5.107 1.00 33.14 N ATOM 276 CA LYS A 17 -16.480 25.658 -6.162 1.00 42.31 C ATOM 277 C LYS A 17 -16.145 25.027 -7.506 1.00 61.42 C ATOM 278 O LYS A 17 -17.029 24.687 -8.284 1.00 13.14 O ATOM 279 CB LYS A 17 -15.871 27.068 -6.018 1.00 53.24 C ATOM 280 CG LYS A 17 -16.207 28.051 -7.127 1.00 64.30 C ATOM 281 CD LYS A 17 -15.685 29.461 -6.814 1.00 62.25 C ATOM 282 CE LYS A 17 -14.174 29.493 -6.572 1.00 3.22 C ATOM 283 NZ LYS A 17 -13.678 30.866 -6.324 1.00 1.04 N ATOM 0 H LYS A 17 -14.965 24.852 -5.001 1.00 33.14 H new ATOM 0 HA LYS A 17 -17.565 25.745 -6.104 1.00 42.31 H new ATOM 0 HB2 LYS A 17 -16.203 27.491 -5.070 1.00 53.24 H new ATOM 0 HB3 LYS A 17 -14.787 26.971 -5.961 1.00 53.24 H new ATOM 0 HG2 LYS A 17 -15.775 27.703 -8.065 1.00 64.30 H new ATOM 0 HG3 LYS A 17 -17.287 28.086 -7.267 1.00 64.30 H new ATOM 0 HD2 LYS A 17 -15.930 30.126 -7.642 1.00 62.25 H new ATOM 0 HD3 LYS A 17 -16.198 29.846 -5.933 1.00 62.25 H new ATOM 0 HE2 LYS A 17 -13.931 28.861 -5.718 1.00 3.22 H new ATOM 0 HE3 LYS A 17 -13.660 29.073 -7.437 1.00 3.22 H new ATOM 0 HZ1 LYS A 17 -12.650 30.841 -6.165 1.00 1.04 H new ATOM 0 HZ2 LYS A 17 -13.886 31.465 -7.149 1.00 1.04 H new ATOM 0 HZ3 LYS A 17 -14.148 31.259 -5.484 1.00 1.04 H new ATOM 297 N HIS A 18 -14.881 24.850 -7.759 1.00 24.31 N ATOM 298 CA HIS A 18 -14.444 24.129 -8.936 1.00 51.53 C ATOM 299 C HIS A 18 -13.310 23.236 -8.539 1.00 42.03 C ATOM 300 O HIS A 18 -13.338 22.032 -8.737 1.00 73.24 O ATOM 301 CB HIS A 18 -14.020 25.092 -10.062 1.00 64.42 C ATOM 302 CG HIS A 18 -13.671 24.390 -11.342 1.00 14.42 C ATOM 303 ND1 HIS A 18 -12.417 24.396 -11.918 1.00 51.32 N ATOM 304 CD2 HIS A 18 -14.453 23.649 -12.158 1.00 15.51 C ATOM 305 CE1 HIS A 18 -12.478 23.676 -13.037 1.00 72.42 C ATOM 306 NE2 HIS A 18 -13.700 23.197 -13.232 1.00 50.11 N ATOM 0 H HIS A 18 -14.125 25.194 -7.167 1.00 24.31 H new ATOM 0 HA HIS A 18 -15.269 23.535 -9.328 1.00 51.53 H new ATOM 0 HB2 HIS A 18 -14.829 25.798 -10.251 1.00 64.42 H new ATOM 0 HB3 HIS A 18 -13.161 25.674 -9.729 1.00 64.42 H new ATOM 0 HD2 HIS A 18 -15.501 23.441 -11.999 1.00 15.51 H new ATOM 0 HE1 HIS A 18 -11.642 23.505 -13.699 1.00 72.42 H new ATOM 0 HE2 HIS A 18 -14.019 22.618 -14.009 1.00 50.11 H new ATOM 314 N ASN A 19 -12.354 23.869 -7.910 1.00 10.42 N ATOM 315 CA ASN A 19 -11.139 23.253 -7.446 1.00 53.41 C ATOM 316 C ASN A 19 -11.388 22.424 -6.222 1.00 0.21 C ATOM 317 O ASN A 19 -12.496 22.457 -5.649 1.00 44.14 O ATOM 318 CB ASN A 19 -10.097 24.334 -7.151 1.00 60.22 C ATOM 319 CG ASN A 19 -9.751 25.144 -8.377 1.00 0.34 C ATOM 320 OD1 ASN A 19 -10.423 26.119 -8.698 1.00 25.34 O ATOM 321 ND2 ASN A 19 -8.702 24.776 -9.050 1.00 43.22 N ATOM 0 H ASN A 19 -12.403 24.866 -7.699 1.00 10.42 H new ATOM 0 HA ASN A 19 -10.764 22.592 -8.227 1.00 53.41 H new ATOM 0 HB2 ASN A 19 -10.475 24.998 -6.374 1.00 60.22 H new ATOM 0 HB3 ASN A 19 -9.193 23.867 -6.759 1.00 60.22 H new ATOM 0 HD21 ASN A 19 -8.414 25.303 -9.874 1.00 43.22 H new ATOM 0 HD22 ASN A 19 -8.167 23.960 -8.754 1.00 43.22 H new ATOM 328 N MET A 20 -10.334 21.739 -5.797 1.00 53.42 N ATOM 329 CA MET A 20 -10.363 20.796 -4.698 1.00 74.21 C ATOM 330 C MET A 20 -11.060 19.544 -5.159 1.00 51.23 C ATOM 331 O MET A 20 -12.198 19.269 -4.821 1.00 62.12 O ATOM 332 CB MET A 20 -10.924 21.371 -3.358 1.00 74.50 C ATOM 333 CG MET A 20 -9.991 22.345 -2.622 1.00 4.42 C ATOM 334 SD MET A 20 -9.720 23.930 -3.460 1.00 30.41 S ATOM 335 CE MET A 20 -11.354 24.664 -3.369 1.00 71.44 C ATOM 0 H MET A 20 -9.412 21.830 -6.223 1.00 53.42 H new ATOM 0 HA MET A 20 -9.334 20.556 -4.432 1.00 74.21 H new ATOM 0 HB2 MET A 20 -11.865 21.881 -3.566 1.00 74.50 H new ATOM 0 HB3 MET A 20 -11.153 20.539 -2.692 1.00 74.50 H new ATOM 0 HG2 MET A 20 -10.403 22.541 -1.632 1.00 4.42 H new ATOM 0 HG3 MET A 20 -9.026 21.859 -2.475 1.00 4.42 H new ATOM 0 HE1 MET A 20 -11.265 25.721 -3.117 1.00 71.44 H new ATOM 0 HE2 MET A 20 -11.853 24.562 -4.333 1.00 71.44 H new ATOM 0 HE3 MET A 20 -11.939 24.156 -2.602 1.00 71.44 H new ATOM 345 N GLU A 21 -10.355 18.824 -5.995 1.00 1.41 N ATOM 346 CA GLU A 21 -10.865 17.699 -6.692 1.00 65.44 C ATOM 347 C GLU A 21 -9.740 16.697 -6.920 1.00 5.41 C ATOM 348 O GLU A 21 -8.968 16.849 -7.847 1.00 4.52 O ATOM 349 CB GLU A 21 -11.440 18.164 -8.069 1.00 43.13 C ATOM 350 CG GLU A 21 -10.488 19.079 -8.882 1.00 33.23 C ATOM 351 CD GLU A 21 -10.862 19.221 -10.336 1.00 34.52 C ATOM 352 OE1 GLU A 21 -10.686 18.254 -11.098 1.00 60.34 O ATOM 353 OE2 GLU A 21 -11.305 20.296 -10.763 1.00 23.31 O ATOM 0 H GLU A 21 -9.377 19.023 -6.208 1.00 1.41 H new ATOM 0 HA GLU A 21 -11.656 17.230 -6.108 1.00 65.44 H new ATOM 0 HB2 GLU A 21 -11.677 17.284 -8.666 1.00 43.13 H new ATOM 0 HB3 GLU A 21 -12.377 18.695 -7.898 1.00 43.13 H new ATOM 0 HG2 GLU A 21 -10.473 20.068 -8.424 1.00 33.23 H new ATOM 0 HG3 GLU A 21 -9.475 18.682 -8.816 1.00 33.23 H new ATOM 360 N HIS A 22 -9.569 15.739 -6.045 1.00 55.54 N ATOM 361 CA HIS A 22 -8.533 14.740 -6.309 1.00 34.11 C ATOM 362 C HIS A 22 -8.707 13.468 -5.522 1.00 53.54 C ATOM 363 O HIS A 22 -8.492 13.426 -4.318 1.00 20.42 O ATOM 364 CB HIS A 22 -7.141 15.314 -6.082 1.00 42.13 C ATOM 365 CG HIS A 22 -6.056 14.594 -6.799 1.00 14.51 C ATOM 366 ND1 HIS A 22 -5.814 14.753 -8.141 1.00 44.42 N ATOM 367 CD2 HIS A 22 -5.132 13.723 -6.355 1.00 20.53 C ATOM 368 CE1 HIS A 22 -4.779 13.993 -8.472 1.00 43.33 C ATOM 369 NE2 HIS A 22 -4.321 13.343 -7.428 1.00 14.30 N ATOM 0 H HIS A 22 -10.098 15.619 -5.181 1.00 55.54 H new ATOM 0 HA HIS A 22 -8.645 14.475 -7.360 1.00 34.11 H new ATOM 0 HB2 HIS A 22 -7.136 16.358 -6.395 1.00 42.13 H new ATOM 0 HB3 HIS A 22 -6.925 15.300 -5.014 1.00 42.13 H new ATOM 0 HD2 HIS A 22 -5.033 13.375 -5.337 1.00 20.53 H new ATOM 0 HE1 HIS A 22 -4.368 13.919 -9.468 1.00 43.33 H new ATOM 0 HE2 HIS A 22 -3.535 12.694 -7.404 1.00 14.30 H new ATOM 377 N ILE A 23 -9.101 12.450 -6.210 1.00 3.21 N ATOM 378 CA ILE A 23 -9.170 11.130 -5.670 1.00 73.11 C ATOM 379 C ILE A 23 -8.305 10.280 -6.581 1.00 10.10 C ATOM 380 O ILE A 23 -8.361 10.433 -7.809 1.00 62.11 O ATOM 381 CB ILE A 23 -10.636 10.573 -5.620 1.00 45.33 C ATOM 382 CG1 ILE A 23 -11.555 11.460 -4.737 1.00 10.41 C ATOM 383 CG2 ILE A 23 -10.669 9.123 -5.128 1.00 5.32 C ATOM 384 CD1 ILE A 23 -11.146 11.564 -3.275 1.00 62.25 C ATOM 0 H ILE A 23 -9.391 12.512 -7.186 1.00 3.21 H new ATOM 0 HA ILE A 23 -8.825 11.120 -4.636 1.00 73.11 H new ATOM 0 HB ILE A 23 -11.018 10.597 -6.641 1.00 45.33 H new ATOM 0 HG12 ILE A 23 -11.582 12.463 -5.162 1.00 10.41 H new ATOM 0 HG13 ILE A 23 -12.570 11.066 -4.786 1.00 10.41 H new ATOM 0 HG21 ILE A 23 -11.700 8.770 -5.106 1.00 5.32 H new ATOM 0 HG22 ILE A 23 -10.085 8.497 -5.802 1.00 5.32 H new ATOM 0 HG23 ILE A 23 -10.246 9.069 -4.125 1.00 5.32 H new ATOM 0 HD11 ILE A 23 -11.851 12.205 -2.745 1.00 62.25 H new ATOM 0 HD12 ILE A 23 -11.149 10.571 -2.825 1.00 62.25 H new ATOM 0 HD13 ILE A 23 -10.145 11.991 -3.207 1.00 62.25 H new ATOM 396 N CYS A 24 -7.514 9.430 -6.010 1.00 42.23 N ATOM 397 CA CYS A 24 -6.583 8.625 -6.770 1.00 13.43 C ATOM 398 C CYS A 24 -7.037 7.153 -6.808 1.00 5.32 C ATOM 399 O CYS A 24 -7.803 6.711 -5.940 1.00 71.14 O ATOM 400 CB CYS A 24 -5.194 8.747 -6.134 1.00 72.41 C ATOM 401 SG CYS A 24 -4.590 10.452 -6.027 1.00 42.44 S ATOM 0 H CYS A 24 -7.487 9.266 -5.004 1.00 42.23 H new ATOM 0 HA CYS A 24 -6.547 8.984 -7.799 1.00 13.43 H new ATOM 0 HB2 CYS A 24 -5.224 8.318 -5.133 1.00 72.41 H new ATOM 0 HB3 CYS A 24 -4.485 8.155 -6.714 1.00 72.41 H new ATOM 406 N PRO A 25 -6.636 6.398 -7.865 1.00 44.31 N ATOM 407 CA PRO A 25 -7.023 4.983 -8.043 1.00 12.13 C ATOM 408 C PRO A 25 -6.444 4.035 -6.964 1.00 12.12 C ATOM 409 O PRO A 25 -5.311 4.219 -6.511 1.00 63.04 O ATOM 410 CB PRO A 25 -6.438 4.609 -9.423 1.00 64.10 C ATOM 411 CG PRO A 25 -6.113 5.903 -10.080 1.00 1.53 C ATOM 412 CD PRO A 25 -5.784 6.862 -8.978 1.00 1.23 C ATOM 0 HA PRO A 25 -8.104 4.873 -7.962 1.00 12.13 H new ATOM 0 HB2 PRO A 25 -5.548 3.988 -9.317 1.00 64.10 H new ATOM 0 HB3 PRO A 25 -7.156 4.039 -10.012 1.00 64.10 H new ATOM 0 HG2 PRO A 25 -5.271 5.792 -10.763 1.00 1.53 H new ATOM 0 HG3 PRO A 25 -6.956 6.262 -10.670 1.00 1.53 H new ATOM 0 HD2 PRO A 25 -4.726 6.829 -8.717 1.00 1.23 H new ATOM 0 HD3 PRO A 25 -6.011 7.891 -9.258 1.00 1.23 H new ATOM 420 N PRO A 26 -7.223 3.013 -6.540 1.00 61.21 N ATOM 421 CA PRO A 26 -6.765 2.010 -5.570 1.00 11.32 C ATOM 422 C PRO A 26 -5.794 1.006 -6.198 1.00 5.53 C ATOM 423 O PRO A 26 -6.074 0.435 -7.262 1.00 1.22 O ATOM 424 CB PRO A 26 -8.054 1.269 -5.157 1.00 2.51 C ATOM 425 CG PRO A 26 -9.179 2.042 -5.760 1.00 60.25 C ATOM 426 CD PRO A 26 -8.611 2.762 -6.945 1.00 51.24 C ATOM 0 HA PRO A 26 -6.235 2.478 -4.740 1.00 11.32 H new ATOM 0 HB2 PRO A 26 -8.047 0.241 -5.520 1.00 2.51 H new ATOM 0 HB3 PRO A 26 -8.148 1.224 -4.072 1.00 2.51 H new ATOM 0 HG2 PRO A 26 -9.989 1.378 -6.061 1.00 60.25 H new ATOM 0 HG3 PRO A 26 -9.595 2.747 -5.040 1.00 60.25 H new ATOM 0 HD2 PRO A 26 -8.665 2.157 -7.850 1.00 51.24 H new ATOM 0 HD3 PRO A 26 -9.146 3.689 -7.149 1.00 51.24 H new ATOM 434 N MET A 27 -4.680 0.795 -5.546 1.00 64.52 N ATOM 435 CA MET A 27 -3.698 -0.173 -5.980 1.00 12.11 C ATOM 436 C MET A 27 -3.998 -1.484 -5.287 1.00 54.54 C ATOM 437 O MET A 27 -4.274 -1.497 -4.088 1.00 41.22 O ATOM 438 CB MET A 27 -2.278 0.313 -5.676 1.00 61.44 C ATOM 439 CG MET A 27 -1.180 -0.655 -6.090 1.00 52.14 C ATOM 440 SD MET A 27 0.473 -0.038 -5.734 1.00 44.11 S ATOM 441 CE MET A 27 0.512 1.453 -6.730 1.00 43.31 C ATOM 0 H MET A 27 -4.424 1.292 -4.693 1.00 64.52 H new ATOM 0 HA MET A 27 -3.754 -0.309 -7.060 1.00 12.11 H new ATOM 0 HB2 MET A 27 -2.117 1.265 -6.183 1.00 61.44 H new ATOM 0 HB3 MET A 27 -2.193 0.503 -4.606 1.00 61.44 H new ATOM 0 HG2 MET A 27 -1.326 -1.604 -5.574 1.00 52.14 H new ATOM 0 HG3 MET A 27 -1.264 -0.856 -7.158 1.00 52.14 H new ATOM 0 HE1 MET A 27 1.524 1.858 -6.739 1.00 43.31 H new ATOM 0 HE2 MET A 27 0.206 1.218 -7.749 1.00 43.31 H new ATOM 0 HE3 MET A 27 -0.170 2.191 -6.308 1.00 43.31 H new ATOM 451 N VAL A 28 -3.958 -2.567 -6.028 1.00 53.23 N ATOM 452 CA VAL A 28 -4.401 -3.865 -5.504 1.00 42.54 C ATOM 453 C VAL A 28 -3.354 -4.954 -5.788 1.00 10.41 C ATOM 454 O VAL A 28 -3.065 -5.255 -6.959 1.00 64.21 O ATOM 455 CB VAL A 28 -5.770 -4.265 -6.155 1.00 71.42 C ATOM 456 CG1 VAL A 28 -6.229 -5.622 -5.687 1.00 14.22 C ATOM 457 CG2 VAL A 28 -6.848 -3.232 -5.848 1.00 14.45 C ATOM 0 H VAL A 28 -3.627 -2.589 -6.993 1.00 53.23 H new ATOM 0 HA VAL A 28 -4.525 -3.775 -4.425 1.00 42.54 H new ATOM 0 HB VAL A 28 -5.609 -4.303 -7.232 1.00 71.42 H new ATOM 0 HG11 VAL A 28 -7.181 -5.867 -6.158 1.00 14.22 H new ATOM 0 HG12 VAL A 28 -5.486 -6.371 -5.959 1.00 14.22 H new ATOM 0 HG13 VAL A 28 -6.353 -5.611 -4.604 1.00 14.22 H new ATOM 0 HG21 VAL A 28 -7.786 -3.536 -6.312 1.00 14.45 H new ATOM 0 HG22 VAL A 28 -6.984 -3.158 -4.769 1.00 14.45 H new ATOM 0 HG23 VAL A 28 -6.545 -2.262 -6.243 1.00 14.45 H new ATOM 467 N ILE A 29 -2.778 -5.524 -4.733 1.00 14.51 N ATOM 468 CA ILE A 29 -1.743 -6.559 -4.866 1.00 61.44 C ATOM 469 C ILE A 29 -2.072 -7.791 -4.013 1.00 31.11 C ATOM 470 O ILE A 29 -1.933 -7.762 -2.779 1.00 71.43 O ATOM 471 CB ILE A 29 -0.319 -6.027 -4.466 1.00 43.14 C ATOM 472 CG1 ILE A 29 0.114 -4.865 -5.374 1.00 44.12 C ATOM 473 CG2 ILE A 29 0.735 -7.149 -4.502 1.00 2.33 C ATOM 474 CD1 ILE A 29 0.207 -5.237 -6.837 1.00 40.01 C ATOM 0 H ILE A 29 -3.009 -5.288 -3.768 1.00 14.51 H new ATOM 0 HA ILE A 29 -1.728 -6.839 -5.919 1.00 61.44 H new ATOM 0 HB ILE A 29 -0.390 -5.660 -3.442 1.00 43.14 H new ATOM 0 HG12 ILE A 29 -0.595 -4.044 -5.261 1.00 44.12 H new ATOM 0 HG13 ILE A 29 1.084 -4.497 -5.040 1.00 44.12 H new ATOM 0 HG21 ILE A 29 1.707 -6.744 -4.220 1.00 2.33 H new ATOM 0 HG22 ILE A 29 0.453 -7.936 -3.803 1.00 2.33 H new ATOM 0 HG23 ILE A 29 0.792 -7.562 -5.509 1.00 2.33 H new ATOM 0 HD11 ILE A 29 0.518 -4.367 -7.415 1.00 40.01 H new ATOM 0 HD12 ILE A 29 0.937 -6.036 -6.964 1.00 40.01 H new ATOM 0 HD13 ILE A 29 -0.767 -5.577 -7.189 1.00 40.01 H new ATOM 486 N GLY A 30 -2.488 -8.859 -4.655 1.00 23.33 N ATOM 487 CA GLY A 30 -2.779 -10.071 -3.935 1.00 13.40 C ATOM 488 C GLY A 30 -1.830 -11.153 -4.261 1.00 72.45 C ATOM 489 O GLY A 30 -2.112 -12.037 -5.071 1.00 61.44 O ATOM 0 H GLY A 30 -2.630 -8.911 -5.664 1.00 23.33 H new ATOM 0 HA2 GLY A 30 -2.747 -9.872 -2.864 1.00 13.40 H new ATOM 0 HA3 GLY A 30 -3.793 -10.396 -4.169 1.00 13.40 H new ATOM 493 N ASP A 31 -0.694 -11.089 -3.630 1.00 2.23 N ATOM 494 CA ASP A 31 0.350 -12.083 -3.838 1.00 31.13 C ATOM 495 C ASP A 31 1.149 -12.414 -2.566 1.00 35.33 C ATOM 496 O ASP A 31 1.990 -13.313 -2.551 1.00 51.10 O ATOM 497 CB ASP A 31 1.255 -11.643 -5.005 1.00 35.02 C ATOM 498 CG ASP A 31 2.505 -12.485 -5.214 1.00 32.02 C ATOM 499 OD1 ASP A 31 3.568 -12.167 -4.621 1.00 1.42 O ATOM 500 OD2 ASP A 31 2.452 -13.468 -5.987 1.00 31.34 O ATOM 0 H ASP A 31 -0.454 -10.358 -2.960 1.00 2.23 H new ATOM 0 HA ASP A 31 -0.136 -13.022 -4.103 1.00 31.13 H new ATOM 0 HB2 ASP A 31 0.669 -11.659 -5.924 1.00 35.02 H new ATOM 0 HB3 ASP A 31 1.557 -10.609 -4.838 1.00 35.02 H new ATOM 505 N ARG A 32 0.797 -11.818 -1.483 1.00 24.52 N ATOM 506 CA ARG A 32 1.604 -11.949 -0.294 1.00 44.13 C ATOM 507 C ARG A 32 0.879 -12.834 0.671 1.00 51.20 C ATOM 508 O ARG A 32 -0.302 -12.683 0.834 1.00 63.35 O ATOM 509 CB ARG A 32 1.828 -10.573 0.371 1.00 55.42 C ATOM 510 CG ARG A 32 2.503 -9.495 -0.489 1.00 32.33 C ATOM 511 CD ARG A 32 3.895 -9.908 -0.947 1.00 53.33 C ATOM 512 NE ARG A 32 4.623 -8.796 -1.592 1.00 44.32 N ATOM 513 CZ ARG A 32 5.619 -8.942 -2.483 1.00 14.33 C ATOM 514 NH1 ARG A 32 5.913 -10.146 -2.980 1.00 71.15 N ATOM 515 NH2 ARG A 32 6.287 -7.886 -2.889 1.00 63.35 N ATOM 0 H ARG A 32 -0.035 -11.237 -1.382 1.00 24.52 H new ATOM 0 HA ARG A 32 2.572 -12.370 -0.565 1.00 44.13 H new ATOM 0 HB2 ARG A 32 0.861 -10.191 0.698 1.00 55.42 H new ATOM 0 HB3 ARG A 32 2.432 -10.722 1.266 1.00 55.42 H new ATOM 0 HG2 ARG A 32 1.883 -9.288 -1.361 1.00 32.33 H new ATOM 0 HG3 ARG A 32 2.571 -8.568 0.081 1.00 32.33 H new ATOM 0 HD2 ARG A 32 4.466 -10.266 -0.090 1.00 53.33 H new ATOM 0 HD3 ARG A 32 3.814 -10.741 -1.646 1.00 53.33 H new ATOM 0 HE ARG A 32 4.349 -7.846 -1.342 1.00 44.32 H new ATOM 0 HH11 ARG A 32 5.380 -10.964 -2.684 1.00 71.15 H new ATOM 0 HH12 ARG A 32 6.670 -10.248 -3.656 1.00 71.15 H new ATOM 0 HH21 ARG A 32 6.049 -6.962 -2.528 1.00 63.35 H new ATOM 0 HH22 ARG A 32 7.044 -7.990 -3.565 1.00 63.35 H new ATOM 529 N SER A 33 1.551 -13.768 1.270 1.00 53.33 N ATOM 530 CA SER A 33 0.961 -14.548 2.306 1.00 61.23 C ATOM 531 C SER A 33 0.885 -13.676 3.551 1.00 3.22 C ATOM 532 O SER A 33 1.567 -12.654 3.610 1.00 21.31 O ATOM 533 CB SER A 33 1.809 -15.783 2.520 1.00 51.21 C ATOM 534 OG SER A 33 3.178 -15.431 2.484 1.00 32.05 O ATOM 0 H SER A 33 2.519 -14.008 1.054 1.00 53.33 H new ATOM 0 HA SER A 33 -0.046 -14.880 2.053 1.00 61.23 H new ATOM 0 HB2 SER A 33 1.566 -16.241 3.479 1.00 51.21 H new ATOM 0 HB3 SER A 33 1.593 -16.523 1.749 1.00 51.21 H new ATOM 0 HG SER A 33 3.725 -16.232 2.624 1.00 32.05 H new ATOM 540 N TYR A 34 0.104 -14.073 4.529 1.00 75.21 N ATOM 541 CA TYR A 34 -0.160 -13.242 5.721 1.00 12.50 C ATOM 542 C TYR A 34 1.104 -12.832 6.404 1.00 73.21 C ATOM 543 O TYR A 34 1.278 -11.680 6.752 1.00 31.01 O ATOM 544 CB TYR A 34 -1.030 -13.982 6.723 1.00 51.11 C ATOM 545 CG TYR A 34 -1.379 -13.185 7.977 1.00 34.15 C ATOM 546 CD1 TYR A 34 -2.436 -12.282 7.987 1.00 45.32 C ATOM 547 CD2 TYR A 34 -0.650 -13.347 9.150 1.00 44.00 C ATOM 548 CE1 TYR A 34 -2.752 -11.570 9.126 1.00 53.14 C ATOM 549 CE2 TYR A 34 -0.958 -12.638 10.287 1.00 43.41 C ATOM 550 CZ TYR A 34 -2.007 -11.752 10.272 1.00 53.52 C ATOM 551 OH TYR A 34 -2.325 -11.052 11.416 1.00 24.35 O ATOM 0 H TYR A 34 -0.373 -14.975 4.538 1.00 75.21 H new ATOM 0 HA TYR A 34 -0.679 -12.352 5.366 1.00 12.50 H new ATOM 0 HB2 TYR A 34 -1.955 -14.280 6.230 1.00 51.11 H new ATOM 0 HB3 TYR A 34 -0.518 -14.897 7.021 1.00 51.11 H new ATOM 0 HD1 TYR A 34 -3.019 -12.136 7.090 1.00 45.32 H new ATOM 0 HD2 TYR A 34 0.175 -14.044 9.168 1.00 44.00 H new ATOM 0 HE1 TYR A 34 -3.578 -10.874 9.120 1.00 53.14 H new ATOM 0 HE2 TYR A 34 -0.378 -12.777 11.187 1.00 43.41 H new ATOM 0 HH TYR A 34 -1.703 -11.297 12.133 1.00 24.35 H new ATOM 561 N ASP A 35 1.973 -13.772 6.565 1.00 10.10 N ATOM 562 CA ASP A 35 3.222 -13.536 7.284 1.00 13.32 C ATOM 563 C ASP A 35 4.101 -12.542 6.557 1.00 21.41 C ATOM 564 O ASP A 35 4.695 -11.657 7.170 1.00 3.15 O ATOM 565 CB ASP A 35 3.965 -14.835 7.557 1.00 14.40 C ATOM 566 CG ASP A 35 5.240 -14.635 8.331 1.00 43.21 C ATOM 567 OD1 ASP A 35 5.176 -14.469 9.558 1.00 0.22 O ATOM 568 OD2 ASP A 35 6.335 -14.658 7.726 1.00 1.42 O ATOM 0 H ASP A 35 1.859 -14.723 6.214 1.00 10.10 H new ATOM 0 HA ASP A 35 2.962 -13.100 8.249 1.00 13.32 H new ATOM 0 HB2 ASP A 35 3.313 -15.510 8.111 1.00 14.40 H new ATOM 0 HB3 ASP A 35 4.195 -15.321 6.609 1.00 14.40 H new ATOM 573 N ILE A 36 4.127 -12.644 5.250 1.00 52.23 N ATOM 574 CA ILE A 36 4.912 -11.734 4.459 1.00 43.54 C ATOM 575 C ILE A 36 4.213 -10.389 4.426 1.00 64.40 C ATOM 576 O ILE A 36 4.833 -9.357 4.631 1.00 21.22 O ATOM 577 CB ILE A 36 5.150 -12.257 3.005 1.00 35.22 C ATOM 578 CG1 ILE A 36 5.910 -13.601 3.006 1.00 51.14 C ATOM 579 CG2 ILE A 36 5.890 -11.223 2.146 1.00 61.45 C ATOM 580 CD1 ILE A 36 7.306 -13.542 3.600 1.00 74.12 C ATOM 0 H ILE A 36 3.615 -13.346 4.715 1.00 52.23 H new ATOM 0 HA ILE A 36 5.895 -11.642 4.921 1.00 43.54 H new ATOM 0 HB ILE A 36 4.168 -12.422 2.562 1.00 35.22 H new ATOM 0 HG12 ILE A 36 5.324 -14.333 3.562 1.00 51.14 H new ATOM 0 HG13 ILE A 36 5.982 -13.963 1.980 1.00 51.14 H new ATOM 0 HG21 ILE A 36 6.037 -11.622 1.142 1.00 61.45 H new ATOM 0 HG22 ILE A 36 5.300 -10.308 2.090 1.00 61.45 H new ATOM 0 HG23 ILE A 36 6.859 -11.003 2.595 1.00 61.45 H new ATOM 0 HD11 ILE A 36 7.762 -14.531 3.558 1.00 74.12 H new ATOM 0 HD12 ILE A 36 7.914 -12.838 3.032 1.00 74.12 H new ATOM 0 HD13 ILE A 36 7.246 -13.214 4.638 1.00 74.12 H new ATOM 592 N ALA A 37 2.908 -10.431 4.244 1.00 62.34 N ATOM 593 CA ALA A 37 2.094 -9.244 4.148 1.00 51.43 C ATOM 594 C ALA A 37 2.156 -8.443 5.416 1.00 63.22 C ATOM 595 O ALA A 37 2.339 -7.247 5.380 1.00 61.11 O ATOM 596 CB ALA A 37 0.650 -9.590 3.813 1.00 74.11 C ATOM 0 H ALA A 37 2.381 -11.300 4.158 1.00 62.34 H new ATOM 0 HA ALA A 37 2.497 -8.638 3.337 1.00 51.43 H new ATOM 0 HB1 ALA A 37 0.062 -8.674 3.748 1.00 74.11 H new ATOM 0 HB2 ALA A 37 0.614 -10.114 2.858 1.00 74.11 H new ATOM 0 HB3 ALA A 37 0.239 -10.230 4.594 1.00 74.11 H new ATOM 602 N MET A 38 2.079 -9.111 6.532 1.00 31.13 N ATOM 603 CA MET A 38 2.041 -8.435 7.795 1.00 15.34 C ATOM 604 C MET A 38 3.371 -7.775 8.094 1.00 34.53 C ATOM 605 O MET A 38 3.407 -6.642 8.583 1.00 3.15 O ATOM 606 CB MET A 38 1.624 -9.388 8.915 1.00 54.04 C ATOM 607 CG MET A 38 1.315 -8.707 10.231 1.00 53.11 C ATOM 608 SD MET A 38 -0.071 -7.558 10.089 1.00 61.34 S ATOM 609 CE MET A 38 -0.243 -7.025 11.786 1.00 1.34 C ATOM 0 H MET A 38 2.041 -10.129 6.591 1.00 31.13 H new ATOM 0 HA MET A 38 1.288 -7.649 7.737 1.00 15.34 H new ATOM 0 HB2 MET A 38 0.745 -9.946 8.593 1.00 54.04 H new ATOM 0 HB3 MET A 38 2.421 -10.114 9.074 1.00 54.04 H new ATOM 0 HG2 MET A 38 1.085 -9.461 10.984 1.00 53.11 H new ATOM 0 HG3 MET A 38 2.198 -8.169 10.577 1.00 53.11 H new ATOM 0 HE1 MET A 38 -1.062 -6.310 11.861 1.00 1.34 H new ATOM 0 HE2 MET A 38 -0.455 -7.887 12.418 1.00 1.34 H new ATOM 0 HE3 MET A 38 0.683 -6.553 12.115 1.00 1.34 H new ATOM 619 N GLU A 39 4.462 -8.423 7.742 1.00 43.13 N ATOM 620 CA GLU A 39 5.733 -7.844 8.035 1.00 1.51 C ATOM 621 C GLU A 39 6.177 -6.851 6.981 1.00 21.40 C ATOM 622 O GLU A 39 7.009 -5.983 7.254 1.00 25.23 O ATOM 623 CB GLU A 39 6.797 -8.878 8.376 1.00 1.03 C ATOM 624 CG GLU A 39 6.505 -9.612 9.683 1.00 2.45 C ATOM 625 CD GLU A 39 6.284 -8.655 10.847 1.00 4.12 C ATOM 626 OE1 GLU A 39 7.275 -8.106 11.393 1.00 21.52 O ATOM 627 OE2 GLU A 39 5.131 -8.433 11.239 1.00 74.22 O ATOM 0 H GLU A 39 4.485 -9.325 7.266 1.00 43.13 H new ATOM 0 HA GLU A 39 5.596 -7.265 8.948 1.00 1.51 H new ATOM 0 HB2 GLU A 39 6.868 -9.602 7.565 1.00 1.03 H new ATOM 0 HB3 GLU A 39 7.767 -8.386 8.449 1.00 1.03 H new ATOM 0 HG2 GLU A 39 5.621 -10.237 9.556 1.00 2.45 H new ATOM 0 HG3 GLU A 39 7.335 -10.278 9.916 1.00 2.45 H new ATOM 634 N ILE A 40 5.633 -6.945 5.783 1.00 51.42 N ATOM 635 CA ILE A 40 5.949 -5.955 4.797 1.00 32.42 C ATOM 636 C ILE A 40 5.069 -4.721 5.002 1.00 51.55 C ATOM 637 O ILE A 40 5.562 -3.603 4.970 1.00 51.53 O ATOM 638 CB ILE A 40 5.915 -6.463 3.303 1.00 73.25 C ATOM 639 CG1 ILE A 40 6.494 -5.389 2.375 1.00 12.23 C ATOM 640 CG2 ILE A 40 4.505 -6.831 2.855 1.00 41.53 C ATOM 641 CD1 ILE A 40 6.641 -5.821 0.928 1.00 2.12 C ATOM 0 H ILE A 40 4.990 -7.678 5.483 1.00 51.42 H new ATOM 0 HA ILE A 40 6.995 -5.691 4.956 1.00 32.42 H new ATOM 0 HB ILE A 40 6.523 -7.366 3.248 1.00 73.25 H new ATOM 0 HG12 ILE A 40 5.853 -4.508 2.415 1.00 12.23 H new ATOM 0 HG13 ILE A 40 7.472 -5.089 2.753 1.00 12.23 H new ATOM 0 HG21 ILE A 40 4.530 -7.175 1.821 1.00 41.53 H new ATOM 0 HG22 ILE A 40 4.116 -7.625 3.492 1.00 41.53 H new ATOM 0 HG23 ILE A 40 3.859 -5.956 2.931 1.00 41.53 H new ATOM 0 HD11 ILE A 40 7.057 -5.000 0.344 1.00 2.12 H new ATOM 0 HD12 ILE A 40 7.308 -6.682 0.871 1.00 2.12 H new ATOM 0 HD13 ILE A 40 5.664 -6.092 0.528 1.00 2.12 H new ATOM 653 N VAL A 41 3.782 -4.929 5.323 1.00 50.12 N ATOM 654 CA VAL A 41 2.871 -3.819 5.521 1.00 64.34 C ATOM 655 C VAL A 41 3.226 -3.062 6.785 1.00 71.24 C ATOM 656 O VAL A 41 3.171 -1.851 6.801 1.00 0.24 O ATOM 657 CB VAL A 41 1.365 -4.248 5.495 1.00 71.34 C ATOM 658 CG1 VAL A 41 0.439 -3.081 5.849 1.00 42.12 C ATOM 659 CG2 VAL A 41 1.005 -4.769 4.108 1.00 13.21 C ATOM 0 H VAL A 41 3.363 -5.851 5.447 1.00 50.12 H new ATOM 0 HA VAL A 41 2.994 -3.146 4.673 1.00 64.34 H new ATOM 0 HB VAL A 41 1.229 -5.031 6.241 1.00 71.34 H new ATOM 0 HG11 VAL A 41 -0.597 -3.417 5.820 1.00 42.12 H new ATOM 0 HG12 VAL A 41 0.676 -2.719 6.850 1.00 42.12 H new ATOM 0 HG13 VAL A 41 0.579 -2.274 5.129 1.00 42.12 H new ATOM 0 HG21 VAL A 41 -0.043 -5.067 4.092 1.00 13.21 H new ATOM 0 HG22 VAL A 41 1.170 -3.984 3.370 1.00 13.21 H new ATOM 0 HG23 VAL A 41 1.630 -5.629 3.869 1.00 13.21 H new ATOM 669 N ASN A 42 3.666 -3.780 7.819 1.00 71.25 N ATOM 670 CA ASN A 42 4.119 -3.121 9.052 1.00 65.10 C ATOM 671 C ASN A 42 5.353 -2.269 8.770 1.00 54.04 C ATOM 672 O ASN A 42 5.550 -1.216 9.373 1.00 44.54 O ATOM 673 CB ASN A 42 4.387 -4.136 10.183 1.00 24.12 C ATOM 674 CG ASN A 42 4.883 -3.483 11.473 1.00 24.21 C ATOM 675 OD1 ASN A 42 4.091 -3.020 12.295 1.00 44.51 O ATOM 676 ND2 ASN A 42 6.177 -3.505 11.695 1.00 25.24 N ATOM 0 H ASN A 42 3.720 -4.799 7.833 1.00 71.25 H new ATOM 0 HA ASN A 42 3.317 -2.469 9.398 1.00 65.10 H new ATOM 0 HB2 ASN A 42 3.471 -4.688 10.392 1.00 24.12 H new ATOM 0 HB3 ASN A 42 5.126 -4.862 9.843 1.00 24.12 H new ATOM 0 HD21 ASN A 42 6.551 -3.132 12.568 1.00 25.24 H new ATOM 0 HD22 ASN A 42 6.808 -3.895 10.995 1.00 25.24 H new ATOM 683 N GLY A 43 6.159 -2.717 7.819 1.00 42.34 N ATOM 684 CA GLY A 43 7.304 -1.953 7.407 1.00 52.22 C ATOM 685 C GLY A 43 6.877 -0.705 6.672 1.00 1.54 C ATOM 686 O GLY A 43 7.371 0.380 6.950 1.00 14.43 O ATOM 0 H GLY A 43 6.034 -3.602 7.327 1.00 42.34 H new ATOM 0 HA2 GLY A 43 7.899 -1.682 8.279 1.00 52.22 H new ATOM 0 HA3 GLY A 43 7.940 -2.560 6.763 1.00 52.22 H new ATOM 690 N VAL A 44 5.916 -0.864 5.762 1.00 51.24 N ATOM 691 CA VAL A 44 5.365 0.255 4.999 1.00 73.10 C ATOM 692 C VAL A 44 4.745 1.276 5.970 1.00 73.41 C ATOM 693 O VAL A 44 4.986 2.477 5.872 1.00 45.01 O ATOM 694 CB VAL A 44 4.270 -0.217 3.990 1.00 21.12 C ATOM 695 CG1 VAL A 44 3.703 0.956 3.203 1.00 71.14 C ATOM 696 CG2 VAL A 44 4.822 -1.263 3.036 1.00 12.44 C ATOM 0 H VAL A 44 5.500 -1.767 5.534 1.00 51.24 H new ATOM 0 HA VAL A 44 6.179 0.707 4.432 1.00 73.10 H new ATOM 0 HB VAL A 44 3.464 -0.665 4.571 1.00 21.12 H new ATOM 0 HG11 VAL A 44 2.943 0.596 2.509 1.00 71.14 H new ATOM 0 HG12 VAL A 44 3.255 1.673 3.891 1.00 71.14 H new ATOM 0 HG13 VAL A 44 4.504 1.441 2.644 1.00 71.14 H new ATOM 0 HG21 VAL A 44 4.039 -1.574 2.345 1.00 12.44 H new ATOM 0 HG22 VAL A 44 5.655 -0.840 2.474 1.00 12.44 H new ATOM 0 HG23 VAL A 44 5.169 -2.126 3.604 1.00 12.44 H new ATOM 706 N ASP A 45 3.995 0.749 6.927 1.00 61.45 N ATOM 707 CA ASP A 45 3.315 1.520 7.987 1.00 33.02 C ATOM 708 C ASP A 45 4.302 2.347 8.765 1.00 1.22 C ATOM 709 O ASP A 45 4.080 3.532 9.023 1.00 70.43 O ATOM 710 CB ASP A 45 2.574 0.538 8.930 1.00 22.15 C ATOM 711 CG ASP A 45 1.990 1.172 10.182 1.00 52.52 C ATOM 712 OD1 ASP A 45 0.979 1.885 10.099 1.00 32.55 O ATOM 713 OD2 ASP A 45 2.509 0.911 11.289 1.00 3.43 O ATOM 0 H ASP A 45 3.831 -0.255 7.000 1.00 61.45 H new ATOM 0 HA ASP A 45 2.598 2.201 7.529 1.00 33.02 H new ATOM 0 HB2 ASP A 45 1.768 0.060 8.373 1.00 22.15 H new ATOM 0 HB3 ASP A 45 3.266 -0.249 9.228 1.00 22.15 H new ATOM 718 N ARG A 46 5.418 1.740 9.084 1.00 62.25 N ATOM 719 CA ARG A 46 6.455 2.388 9.835 1.00 42.12 C ATOM 720 C ARG A 46 7.100 3.474 8.990 1.00 32.52 C ATOM 721 O ARG A 46 7.399 4.543 9.487 1.00 60.21 O ATOM 722 CB ARG A 46 7.491 1.360 10.291 1.00 4.23 C ATOM 723 CG ARG A 46 8.348 1.781 11.474 1.00 63.41 C ATOM 724 CD ARG A 46 7.494 1.932 12.724 1.00 33.44 C ATOM 725 NE ARG A 46 8.296 2.112 13.933 1.00 65.21 N ATOM 726 CZ ARG A 46 7.845 1.928 15.178 1.00 33.22 C ATOM 727 NH1 ARG A 46 6.559 1.658 15.393 1.00 63.02 N ATOM 728 NH2 ARG A 46 8.672 2.041 16.200 1.00 13.22 N ATOM 0 H ARG A 46 5.630 0.776 8.826 1.00 62.25 H new ATOM 0 HA ARG A 46 6.024 2.853 10.722 1.00 42.12 H new ATOM 0 HB2 ARG A 46 6.973 0.437 10.549 1.00 4.23 H new ATOM 0 HB3 ARG A 46 8.147 1.133 9.451 1.00 4.23 H new ATOM 0 HG2 ARG A 46 9.129 1.040 11.647 1.00 63.41 H new ATOM 0 HG3 ARG A 46 8.847 2.724 11.252 1.00 63.41 H new ATOM 0 HD2 ARG A 46 6.828 2.786 12.604 1.00 33.44 H new ATOM 0 HD3 ARG A 46 6.864 1.050 12.838 1.00 33.44 H new ATOM 0 HE ARG A 46 9.268 2.398 13.819 1.00 65.21 H new ATOM 0 HH11 ARG A 46 5.914 1.591 14.606 1.00 63.02 H new ATOM 0 HH12 ARG A 46 6.219 1.518 16.345 1.00 63.02 H new ATOM 0 HH21 ARG A 46 9.653 2.268 16.039 1.00 13.22 H new ATOM 0 HH22 ARG A 46 8.330 1.901 17.151 1.00 13.22 H new ATOM 742 N VAL A 47 7.270 3.201 7.707 1.00 22.43 N ATOM 743 CA VAL A 47 7.844 4.165 6.787 1.00 64.21 C ATOM 744 C VAL A 47 6.915 5.366 6.615 1.00 24.51 C ATOM 745 O VAL A 47 7.356 6.485 6.645 1.00 71.40 O ATOM 746 CB VAL A 47 8.199 3.538 5.397 1.00 73.41 C ATOM 747 CG1 VAL A 47 8.700 4.597 4.414 1.00 61.44 C ATOM 748 CG2 VAL A 47 9.256 2.460 5.560 1.00 34.41 C ATOM 0 H VAL A 47 7.016 2.311 7.278 1.00 22.43 H new ATOM 0 HA VAL A 47 8.782 4.502 7.229 1.00 64.21 H new ATOM 0 HB VAL A 47 7.286 3.099 4.993 1.00 73.41 H new ATOM 0 HG11 VAL A 47 8.937 4.125 3.460 1.00 61.44 H new ATOM 0 HG12 VAL A 47 7.926 5.350 4.264 1.00 61.44 H new ATOM 0 HG13 VAL A 47 9.595 5.072 4.816 1.00 61.44 H new ATOM 0 HG21 VAL A 47 9.493 2.033 4.586 1.00 34.41 H new ATOM 0 HG22 VAL A 47 10.156 2.896 5.994 1.00 34.41 H new ATOM 0 HG23 VAL A 47 8.879 1.677 6.217 1.00 34.41 H new ATOM 758 N ILE A 48 5.633 5.127 6.496 1.00 50.01 N ATOM 759 CA ILE A 48 4.667 6.208 6.321 1.00 61.12 C ATOM 760 C ILE A 48 4.594 7.068 7.579 1.00 43.52 C ATOM 761 O ILE A 48 4.605 8.289 7.515 1.00 30.33 O ATOM 762 CB ILE A 48 3.250 5.659 5.977 1.00 2.34 C ATOM 763 CG1 ILE A 48 3.273 4.853 4.674 1.00 34.04 C ATOM 764 CG2 ILE A 48 2.244 6.789 5.869 1.00 51.53 C ATOM 765 CD1 ILE A 48 1.932 4.240 4.313 1.00 33.10 C ATOM 0 H ILE A 48 5.223 4.193 6.516 1.00 50.01 H new ATOM 0 HA ILE A 48 5.009 6.819 5.485 1.00 61.12 H new ATOM 0 HB ILE A 48 2.947 4.997 6.789 1.00 2.34 H new ATOM 0 HG12 ILE A 48 3.596 5.503 3.861 1.00 34.04 H new ATOM 0 HG13 ILE A 48 4.014 4.059 4.761 1.00 34.04 H new ATOM 0 HG21 ILE A 48 1.263 6.381 5.628 1.00 51.53 H new ATOM 0 HG22 ILE A 48 2.192 7.322 6.818 1.00 51.53 H new ATOM 0 HG23 ILE A 48 2.553 7.478 5.083 1.00 51.53 H new ATOM 0 HD11 ILE A 48 2.025 3.685 3.380 1.00 33.10 H new ATOM 0 HD12 ILE A 48 1.615 3.564 5.107 1.00 33.10 H new ATOM 0 HD13 ILE A 48 1.191 5.030 4.193 1.00 33.10 H new ATOM 777 N LYS A 49 4.603 6.419 8.699 1.00 41.13 N ATOM 778 CA LYS A 49 4.446 7.069 9.976 1.00 3.32 C ATOM 779 C LYS A 49 5.767 7.744 10.408 1.00 23.54 C ATOM 780 O LYS A 49 5.806 8.486 11.387 1.00 71.32 O ATOM 781 CB LYS A 49 4.029 5.991 10.954 1.00 13.14 C ATOM 782 CG LYS A 49 3.250 6.422 12.184 1.00 15.02 C ATOM 783 CD LYS A 49 2.892 5.188 13.036 1.00 45.11 C ATOM 784 CE LYS A 49 2.265 4.082 12.174 1.00 71.31 C ATOM 785 NZ LYS A 49 1.877 2.884 12.941 1.00 14.25 N ATOM 0 H LYS A 49 4.721 5.408 8.761 1.00 41.13 H new ATOM 0 HA LYS A 49 3.697 7.859 9.933 1.00 3.32 H new ATOM 0 HB2 LYS A 49 3.426 5.261 10.413 1.00 13.14 H new ATOM 0 HB3 LYS A 49 4.929 5.475 11.290 1.00 13.14 H new ATOM 0 HG2 LYS A 49 3.842 7.123 12.773 1.00 15.02 H new ATOM 0 HG3 LYS A 49 2.341 6.945 11.885 1.00 15.02 H new ATOM 0 HD2 LYS A 49 3.789 4.808 13.525 1.00 45.11 H new ATOM 0 HD3 LYS A 49 2.197 5.476 13.825 1.00 45.11 H new ATOM 0 HE2 LYS A 49 1.385 4.481 11.670 1.00 71.31 H new ATOM 0 HE3 LYS A 49 2.973 3.792 11.398 1.00 71.31 H new ATOM 0 HZ1 LYS A 49 2.393 2.057 12.578 1.00 14.25 H new ATOM 0 HZ2 LYS A 49 2.109 3.024 13.945 1.00 14.25 H new ATOM 0 HZ3 LYS A 49 0.854 2.724 12.842 1.00 14.25 H new ATOM 799 N ALA A 50 6.844 7.431 9.698 1.00 43.13 N ATOM 800 CA ALA A 50 8.131 8.031 9.954 1.00 60.44 C ATOM 801 C ALA A 50 8.547 9.053 8.882 1.00 0.11 C ATOM 802 O ALA A 50 9.087 10.112 9.203 1.00 72.43 O ATOM 803 CB ALA A 50 9.199 6.967 10.089 1.00 2.12 C ATOM 0 H ALA A 50 6.842 6.756 8.933 1.00 43.13 H new ATOM 0 HA ALA A 50 8.030 8.575 10.893 1.00 60.44 H new ATOM 0 HB1 ALA A 50 10.162 7.440 10.282 1.00 2.12 H new ATOM 0 HB2 ALA A 50 8.949 6.303 10.917 1.00 2.12 H new ATOM 0 HB3 ALA A 50 9.257 6.390 9.166 1.00 2.12 H new ATOM 809 N SER A 51 8.313 8.738 7.625 1.00 53.21 N ATOM 810 CA SER A 51 8.744 9.563 6.523 1.00 22.52 C ATOM 811 C SER A 51 7.699 10.577 6.113 1.00 11.23 C ATOM 812 O SER A 51 7.946 11.428 5.254 1.00 15.03 O ATOM 813 CB SER A 51 9.131 8.674 5.347 1.00 43.45 C ATOM 814 OG SER A 51 10.134 7.754 5.749 1.00 64.44 O ATOM 0 H SER A 51 7.814 7.895 7.340 1.00 53.21 H new ATOM 0 HA SER A 51 9.612 10.135 6.852 1.00 22.52 H new ATOM 0 HB2 SER A 51 8.256 8.136 4.983 1.00 43.45 H new ATOM 0 HB3 SER A 51 9.495 9.286 4.522 1.00 43.45 H new ATOM 0 HG SER A 51 10.378 7.184 4.990 1.00 64.44 H new ATOM 820 N PHE A 52 6.532 10.485 6.703 1.00 73.13 N ATOM 821 CA PHE A 52 5.454 11.362 6.380 1.00 22.23 C ATOM 822 C PHE A 52 4.807 11.794 7.647 1.00 61.11 C ATOM 823 O PHE A 52 5.087 11.249 8.718 1.00 41.52 O ATOM 824 CB PHE A 52 4.388 10.681 5.472 1.00 32.04 C ATOM 825 CG PHE A 52 4.912 10.160 4.164 1.00 24.22 C ATOM 826 CD1 PHE A 52 5.771 9.085 4.141 1.00 23.35 C ATOM 827 CD2 PHE A 52 4.573 10.763 2.974 1.00 74.14 C ATOM 828 CE1 PHE A 52 6.292 8.613 2.981 1.00 71.30 C ATOM 829 CE2 PHE A 52 5.087 10.299 1.782 1.00 1.35 C ATOM 830 CZ PHE A 52 5.955 9.220 1.782 1.00 61.41 C ATOM 0 H PHE A 52 6.311 9.795 7.421 1.00 73.13 H new ATOM 0 HA PHE A 52 5.860 12.210 5.828 1.00 22.23 H new ATOM 0 HB2 PHE A 52 3.938 9.854 6.022 1.00 32.04 H new ATOM 0 HB3 PHE A 52 3.593 11.399 5.269 1.00 32.04 H new ATOM 0 HD1 PHE A 52 6.037 8.605 5.071 1.00 23.35 H new ATOM 0 HD2 PHE A 52 3.899 11.607 2.974 1.00 74.14 H new ATOM 0 HE1 PHE A 52 6.966 7.769 2.992 1.00 71.30 H new ATOM 0 HE2 PHE A 52 4.814 10.775 0.852 1.00 1.35 H new ATOM 0 HZ PHE A 52 6.367 8.854 0.853 1.00 61.41 H new ATOM 840 N ASN A 53 3.968 12.751 7.537 1.00 42.12 N ATOM 841 CA ASN A 53 3.208 13.220 8.643 1.00 73.44 C ATOM 842 C ASN A 53 1.893 12.516 8.554 1.00 71.13 C ATOM 843 O ASN A 53 1.064 12.850 7.695 1.00 11.53 O ATOM 844 CB ASN A 53 2.987 14.729 8.568 1.00 11.32 C ATOM 845 CG ASN A 53 2.420 15.308 9.851 1.00 41.52 C ATOM 846 OD1 ASN A 53 1.205 15.382 10.044 1.00 32.10 O ATOM 847 ND2 ASN A 53 3.287 15.733 10.728 1.00 23.22 N ATOM 0 H ASN A 53 3.782 13.243 6.663 1.00 42.12 H new ATOM 0 HA ASN A 53 3.727 13.022 9.581 1.00 73.44 H new ATOM 0 HB2 ASN A 53 3.934 15.219 8.342 1.00 11.32 H new ATOM 0 HB3 ASN A 53 2.309 14.951 7.744 1.00 11.32 H new ATOM 0 HD21 ASN A 53 2.966 16.142 11.606 1.00 23.22 H new ATOM 0 HD22 ASN A 53 4.286 15.657 10.536 1.00 23.22 H new ATOM 854 N ALA A 54 1.730 11.488 9.333 1.00 32.43 N ATOM 855 CA ALA A 54 0.557 10.714 9.244 1.00 33.41 C ATOM 856 C ALA A 54 -0.200 10.664 10.536 1.00 75.04 C ATOM 857 O ALA A 54 0.377 10.537 11.608 1.00 15.34 O ATOM 858 CB ALA A 54 0.888 9.303 8.785 1.00 32.02 C ATOM 0 H ALA A 54 2.403 11.177 10.033 1.00 32.43 H new ATOM 0 HA ALA A 54 -0.086 11.199 8.509 1.00 33.41 H new ATOM 0 HB1 ALA A 54 -0.029 8.717 8.721 1.00 32.02 H new ATOM 0 HB2 ALA A 54 1.363 9.341 7.805 1.00 32.02 H new ATOM 0 HB3 ALA A 54 1.567 8.838 9.500 1.00 32.02 H new ATOM 864 N SER A 55 -1.478 10.812 10.430 1.00 34.23 N ATOM 865 CA SER A 55 -2.355 10.524 11.507 1.00 14.24 C ATOM 866 C SER A 55 -2.888 9.140 11.178 1.00 60.44 C ATOM 867 O SER A 55 -3.652 8.971 10.221 1.00 53.52 O ATOM 868 CB SER A 55 -3.472 11.557 11.566 1.00 10.33 C ATOM 869 OG SER A 55 -2.922 12.870 11.501 1.00 10.24 O ATOM 0 H SER A 55 -1.944 11.140 9.584 1.00 34.23 H new ATOM 0 HA SER A 55 -1.870 10.555 12.483 1.00 14.24 H new ATOM 0 HB2 SER A 55 -4.166 11.403 10.740 1.00 10.33 H new ATOM 0 HB3 SER A 55 -4.042 11.437 12.487 1.00 10.33 H new ATOM 0 HG SER A 55 -3.646 13.530 11.538 1.00 10.24 H new ATOM 875 N VAL A 56 -2.430 8.164 11.889 1.00 13.25 N ATOM 876 CA VAL A 56 -2.711 6.797 11.551 1.00 43.10 C ATOM 877 C VAL A 56 -3.843 6.231 12.409 1.00 43.24 C ATOM 878 O VAL A 56 -3.772 6.206 13.637 1.00 12.23 O ATOM 879 CB VAL A 56 -1.410 5.934 11.652 1.00 45.42 C ATOM 880 CG1 VAL A 56 -0.745 6.066 13.005 1.00 43.20 C ATOM 881 CG2 VAL A 56 -1.684 4.482 11.328 1.00 42.15 C ATOM 0 H VAL A 56 -1.851 8.285 12.720 1.00 13.25 H new ATOM 0 HA VAL A 56 -3.055 6.761 10.517 1.00 43.10 H new ATOM 0 HB VAL A 56 -0.716 6.323 10.907 1.00 45.42 H new ATOM 0 HG11 VAL A 56 0.154 5.450 13.030 1.00 43.20 H new ATOM 0 HG12 VAL A 56 -0.476 7.108 13.178 1.00 43.20 H new ATOM 0 HG13 VAL A 56 -1.433 5.735 13.783 1.00 43.20 H new ATOM 0 HG21 VAL A 56 -0.759 3.911 11.408 1.00 42.15 H new ATOM 0 HG22 VAL A 56 -2.417 4.085 12.030 1.00 42.15 H new ATOM 0 HG23 VAL A 56 -2.073 4.403 10.313 1.00 42.15 H new ATOM 891 N GLU A 57 -4.875 5.786 11.747 1.00 31.52 N ATOM 892 CA GLU A 57 -6.065 5.284 12.387 1.00 33.03 C ATOM 893 C GLU A 57 -6.239 3.798 12.051 1.00 32.13 C ATOM 894 O GLU A 57 -6.031 3.379 10.912 1.00 4.51 O ATOM 895 CB GLU A 57 -7.281 6.098 11.900 1.00 75.02 C ATOM 896 CG GLU A 57 -8.599 5.771 12.593 1.00 72.52 C ATOM 897 CD GLU A 57 -9.779 6.569 12.050 1.00 11.44 C ATOM 898 OE1 GLU A 57 -9.583 7.595 11.361 1.00 33.34 O ATOM 899 OE2 GLU A 57 -10.942 6.195 12.323 1.00 41.41 O ATOM 0 H GLU A 57 -4.916 5.761 10.728 1.00 31.52 H new ATOM 0 HA GLU A 57 -5.981 5.387 13.469 1.00 33.03 H new ATOM 0 HB2 GLU A 57 -7.068 7.158 12.040 1.00 75.02 H new ATOM 0 HB3 GLU A 57 -7.402 5.936 10.829 1.00 75.02 H new ATOM 0 HG2 GLU A 57 -8.806 4.707 12.481 1.00 72.52 H new ATOM 0 HG3 GLU A 57 -8.498 5.965 13.661 1.00 72.52 H new ATOM 906 N GLU A 58 -6.569 3.016 13.039 1.00 74.12 N ATOM 907 CA GLU A 58 -6.809 1.600 12.866 1.00 20.41 C ATOM 908 C GLU A 58 -8.304 1.333 12.768 1.00 61.34 C ATOM 909 O GLU A 58 -9.101 1.926 13.517 1.00 10.13 O ATOM 910 CB GLU A 58 -6.155 0.799 14.005 1.00 41.42 C ATOM 911 CG GLU A 58 -6.469 1.316 15.403 1.00 34.44 C ATOM 912 CD GLU A 58 -5.797 0.511 16.486 1.00 5.03 C ATOM 913 OE1 GLU A 58 -4.583 0.729 16.748 1.00 14.43 O ATOM 914 OE2 GLU A 58 -6.464 -0.327 17.113 1.00 33.11 O ATOM 0 H GLU A 58 -6.682 3.341 13.999 1.00 74.12 H new ATOM 0 HA GLU A 58 -6.351 1.269 11.934 1.00 20.41 H new ATOM 0 HB2 GLU A 58 -6.479 -0.239 13.934 1.00 41.42 H new ATOM 0 HB3 GLU A 58 -5.074 0.806 13.863 1.00 41.42 H new ATOM 0 HG2 GLU A 58 -6.153 2.356 15.480 1.00 34.44 H new ATOM 0 HG3 GLU A 58 -7.548 1.298 15.559 1.00 34.44 H new ATOM 921 N LEU A 59 -8.685 0.487 11.832 1.00 64.41 N ATOM 922 CA LEU A 59 -10.081 0.175 11.574 1.00 23.15 C ATOM 923 C LEU A 59 -10.257 -1.293 11.237 1.00 43.21 C ATOM 924 O LEU A 59 -9.278 -2.052 11.131 1.00 3.41 O ATOM 925 CB LEU A 59 -10.612 1.018 10.394 1.00 44.34 C ATOM 926 CG LEU A 59 -10.693 2.532 10.587 1.00 63.21 C ATOM 927 CD1 LEU A 59 -11.033 3.206 9.271 1.00 63.23 C ATOM 928 CD2 LEU A 59 -11.749 2.871 11.620 1.00 55.44 C ATOM 0 H LEU A 59 -8.032 -0.008 11.224 1.00 64.41 H new ATOM 0 HA LEU A 59 -10.641 0.407 12.480 1.00 23.15 H new ATOM 0 HB2 LEU A 59 -9.978 0.823 9.529 1.00 44.34 H new ATOM 0 HB3 LEU A 59 -11.610 0.657 10.145 1.00 44.34 H new ATOM 0 HG LEU A 59 -9.725 2.892 10.935 1.00 63.21 H new ATOM 0 HD11 LEU A 59 -11.089 4.285 9.418 1.00 63.23 H new ATOM 0 HD12 LEU A 59 -10.261 2.979 8.536 1.00 63.23 H new ATOM 0 HD13 LEU A 59 -11.994 2.839 8.912 1.00 63.23 H new ATOM 0 HD21 LEU A 59 -11.798 3.952 11.749 1.00 55.44 H new ATOM 0 HD22 LEU A 59 -12.718 2.502 11.284 1.00 55.44 H new ATOM 0 HD23 LEU A 59 -11.492 2.403 12.570 1.00 55.44 H new ATOM 940 N GLU A 60 -11.497 -1.690 11.080 1.00 32.42 N ATOM 941 CA GLU A 60 -11.827 -3.008 10.620 1.00 61.21 C ATOM 942 C GLU A 60 -12.206 -2.871 9.164 1.00 1.51 C ATOM 943 O GLU A 60 -12.518 -1.752 8.704 1.00 72.33 O ATOM 944 CB GLU A 60 -12.992 -3.628 11.417 1.00 51.04 C ATOM 945 CG GLU A 60 -14.304 -2.855 11.343 1.00 15.21 C ATOM 946 CD GLU A 60 -15.449 -3.606 11.976 1.00 63.23 C ATOM 947 OE1 GLU A 60 -15.550 -3.612 13.219 1.00 34.21 O ATOM 948 OE2 GLU A 60 -16.262 -4.213 11.241 1.00 62.10 O ATOM 0 H GLU A 60 -12.307 -1.100 11.270 1.00 32.42 H new ATOM 0 HA GLU A 60 -10.975 -3.674 10.758 1.00 61.21 H new ATOM 0 HB2 GLU A 60 -13.163 -4.641 11.053 1.00 51.04 H new ATOM 0 HB3 GLU A 60 -12.694 -3.711 12.462 1.00 51.04 H new ATOM 0 HG2 GLU A 60 -14.184 -1.893 11.841 1.00 15.21 H new ATOM 0 HG3 GLU A 60 -14.542 -2.647 10.300 1.00 15.21 H new ATOM 955 N GLY A 61 -12.192 -3.940 8.452 1.00 61.41 N ATOM 956 CA GLY A 61 -12.486 -3.865 7.057 1.00 14.04 C ATOM 957 C GLY A 61 -13.755 -4.588 6.681 1.00 2.31 C ATOM 958 O GLY A 61 -14.358 -5.276 7.513 1.00 52.44 O ATOM 0 H GLY A 61 -11.982 -4.874 8.804 1.00 61.41 H new ATOM 0 HA2 GLY A 61 -12.571 -2.818 6.765 1.00 14.04 H new ATOM 0 HA3 GLY A 61 -11.654 -4.286 6.493 1.00 14.04 H new ATOM 962 N GLU A 62 -14.125 -4.470 5.431 1.00 54.15 N ATOM 963 CA GLU A 62 -15.343 -5.019 4.923 1.00 1.32 C ATOM 964 C GLU A 62 -15.118 -6.409 4.333 1.00 30.01 C ATOM 965 O GLU A 62 -14.162 -6.632 3.600 1.00 62.04 O ATOM 966 CB GLU A 62 -15.944 -4.082 3.858 1.00 3.44 C ATOM 967 CG GLU A 62 -15.040 -3.863 2.639 1.00 30.14 C ATOM 968 CD GLU A 62 -15.562 -2.870 1.634 1.00 20.11 C ATOM 969 OE1 GLU A 62 -16.781 -2.811 1.392 1.00 2.32 O ATOM 970 OE2 GLU A 62 -14.743 -2.164 1.009 1.00 74.02 O ATOM 0 H GLU A 62 -13.572 -3.978 4.729 1.00 54.15 H new ATOM 0 HA GLU A 62 -16.043 -5.113 5.753 1.00 1.32 H new ATOM 0 HB2 GLU A 62 -16.896 -4.493 3.522 1.00 3.44 H new ATOM 0 HB3 GLU A 62 -16.158 -3.117 4.317 1.00 3.44 H new ATOM 0 HG2 GLU A 62 -14.062 -3.528 2.985 1.00 30.14 H new ATOM 0 HG3 GLU A 62 -14.890 -4.820 2.139 1.00 30.14 H new ATOM 977 N ASP A 63 -15.992 -7.322 4.682 1.00 43.11 N ATOM 978 CA ASP A 63 -16.028 -8.701 4.136 1.00 70.20 C ATOM 979 C ASP A 63 -14.710 -9.473 4.202 1.00 21.23 C ATOM 980 O ASP A 63 -14.435 -10.187 5.174 1.00 11.01 O ATOM 981 CB ASP A 63 -16.574 -8.728 2.703 1.00 51.33 C ATOM 982 CG ASP A 63 -18.066 -8.610 2.605 1.00 4.45 C ATOM 983 OD1 ASP A 63 -18.699 -7.965 3.459 1.00 32.24 O ATOM 984 OD2 ASP A 63 -18.643 -9.167 1.655 1.00 44.03 O ATOM 0 H ASP A 63 -16.725 -7.145 5.369 1.00 43.11 H new ATOM 0 HA ASP A 63 -16.709 -9.224 4.808 1.00 70.20 H new ATOM 0 HB2 ASP A 63 -16.120 -7.913 2.139 1.00 51.33 H new ATOM 0 HB3 ASP A 63 -16.263 -9.658 2.226 1.00 51.33 H new ATOM 989 N CYS A 64 -13.914 -9.322 3.171 1.00 12.22 N ATOM 990 CA CYS A 64 -12.668 -10.029 3.023 1.00 15.13 C ATOM 991 C CYS A 64 -11.509 -9.278 3.649 1.00 53.34 C ATOM 992 O CYS A 64 -10.418 -9.833 3.783 1.00 23.05 O ATOM 993 CB CYS A 64 -12.357 -10.288 1.552 1.00 24.15 C ATOM 994 SG CYS A 64 -13.570 -11.320 0.674 1.00 31.45 S ATOM 0 H CYS A 64 -14.120 -8.691 2.397 1.00 12.22 H new ATOM 0 HA CYS A 64 -12.788 -10.979 3.545 1.00 15.13 H new ATOM 0 HB2 CYS A 64 -12.281 -9.329 1.039 1.00 24.15 H new ATOM 0 HB3 CYS A 64 -11.380 -10.765 1.482 1.00 24.15 H new ATOM 999 N ASP A 65 -11.718 -8.020 3.988 1.00 21.21 N ATOM 1000 CA ASP A 65 -10.683 -7.225 4.611 1.00 12.22 C ATOM 1001 C ASP A 65 -10.460 -7.766 6.001 1.00 21.32 C ATOM 1002 O ASP A 65 -11.409 -7.894 6.782 1.00 63.12 O ATOM 1003 CB ASP A 65 -11.091 -5.775 4.798 1.00 70.13 C ATOM 1004 CG ASP A 65 -11.571 -4.988 3.584 1.00 13.54 C ATOM 1005 OD1 ASP A 65 -11.553 -5.490 2.468 1.00 64.12 O ATOM 1006 OD2 ASP A 65 -12.007 -3.820 3.770 1.00 53.54 O ATOM 0 H ASP A 65 -12.599 -7.528 3.841 1.00 21.21 H new ATOM 0 HA ASP A 65 -9.805 -7.274 3.967 1.00 12.22 H new ATOM 0 HB2 ASP A 65 -11.885 -5.749 5.544 1.00 70.13 H new ATOM 0 HB3 ASP A 65 -10.238 -5.243 5.221 1.00 70.13 H new ATOM 1011 N VAL A 66 -9.254 -8.090 6.309 1.00 43.33 N ATOM 1012 CA VAL A 66 -8.925 -8.608 7.602 1.00 1.12 C ATOM 1013 C VAL A 66 -8.506 -7.480 8.538 1.00 64.30 C ATOM 1014 O VAL A 66 -8.799 -7.499 9.731 1.00 72.13 O ATOM 1015 CB VAL A 66 -7.836 -9.721 7.526 1.00 54.21 C ATOM 1016 CG1 VAL A 66 -7.519 -10.297 8.905 1.00 3.15 C ATOM 1017 CG2 VAL A 66 -8.283 -10.831 6.584 1.00 13.34 C ATOM 0 H VAL A 66 -8.461 -8.005 5.674 1.00 43.33 H new ATOM 0 HA VAL A 66 -9.821 -9.076 8.010 1.00 1.12 H new ATOM 0 HB VAL A 66 -6.924 -9.266 7.139 1.00 54.21 H new ATOM 0 HG11 VAL A 66 -6.756 -11.069 8.810 1.00 3.15 H new ATOM 0 HG12 VAL A 66 -7.153 -9.503 9.556 1.00 3.15 H new ATOM 0 HG13 VAL A 66 -8.422 -10.730 9.335 1.00 3.15 H new ATOM 0 HG21 VAL A 66 -7.514 -11.602 6.540 1.00 13.34 H new ATOM 0 HG22 VAL A 66 -9.213 -11.266 6.950 1.00 13.34 H new ATOM 0 HG23 VAL A 66 -8.443 -10.420 5.587 1.00 13.34 H new ATOM 1027 N LEU A 67 -7.907 -6.472 7.984 1.00 71.25 N ATOM 1028 CA LEU A 67 -7.406 -5.362 8.771 1.00 12.22 C ATOM 1029 C LEU A 67 -7.423 -4.136 7.911 1.00 60.00 C ATOM 1030 O LEU A 67 -7.227 -4.238 6.693 1.00 32.34 O ATOM 1031 CB LEU A 67 -5.975 -5.651 9.268 1.00 34.21 C ATOM 1032 CG LEU A 67 -5.314 -4.577 10.151 1.00 44.20 C ATOM 1033 CD1 LEU A 67 -6.082 -4.383 11.453 1.00 5.41 C ATOM 1034 CD2 LEU A 67 -3.862 -4.935 10.431 1.00 12.33 C ATOM 0 H LEU A 67 -7.747 -6.385 6.980 1.00 71.25 H new ATOM 0 HA LEU A 67 -8.036 -5.214 9.648 1.00 12.22 H new ATOM 0 HB2 LEU A 67 -5.993 -6.586 9.827 1.00 34.21 H new ATOM 0 HB3 LEU A 67 -5.340 -5.812 8.397 1.00 34.21 H new ATOM 0 HG LEU A 67 -5.339 -3.633 9.606 1.00 44.20 H new ATOM 0 HD11 LEU A 67 -5.591 -3.618 12.055 1.00 5.41 H new ATOM 0 HD12 LEU A 67 -7.102 -4.070 11.231 1.00 5.41 H new ATOM 0 HD13 LEU A 67 -6.103 -5.322 12.006 1.00 5.41 H new ATOM 0 HD21 LEU A 67 -3.411 -4.164 11.056 1.00 12.33 H new ATOM 0 HD22 LEU A 67 -3.817 -5.894 10.947 1.00 12.33 H new ATOM 0 HD23 LEU A 67 -3.316 -5.004 9.490 1.00 12.33 H new ATOM 1046 N TYR A 68 -7.697 -3.007 8.508 1.00 54.43 N ATOM 1047 CA TYR A 68 -7.765 -1.783 7.794 1.00 54.31 C ATOM 1048 C TYR A 68 -6.906 -0.757 8.535 1.00 2.54 C ATOM 1049 O TYR A 68 -7.110 -0.506 9.724 1.00 23.14 O ATOM 1050 CB TYR A 68 -9.225 -1.366 7.779 1.00 74.42 C ATOM 1051 CG TYR A 68 -9.643 -0.273 6.826 1.00 24.03 C ATOM 1052 CD1 TYR A 68 -9.077 0.999 6.850 1.00 32.01 C ATOM 1053 CD2 TYR A 68 -10.646 -0.522 5.910 1.00 72.41 C ATOM 1054 CE1 TYR A 68 -9.507 1.978 5.978 1.00 1.32 C ATOM 1055 CE2 TYR A 68 -11.085 0.446 5.055 1.00 74.42 C ATOM 1056 CZ TYR A 68 -10.518 1.687 5.086 1.00 10.31 C ATOM 1057 OH TYR A 68 -10.983 2.651 4.243 1.00 4.14 O ATOM 0 H TYR A 68 -7.878 -2.922 9.508 1.00 54.43 H new ATOM 0 HA TYR A 68 -7.397 -1.869 6.772 1.00 54.31 H new ATOM 0 HB2 TYR A 68 -9.822 -2.250 7.555 1.00 74.42 H new ATOM 0 HB3 TYR A 68 -9.491 -1.049 8.787 1.00 74.42 H new ATOM 0 HD1 TYR A 68 -8.293 1.222 7.559 1.00 32.01 H new ATOM 0 HD2 TYR A 68 -11.093 -1.505 5.870 1.00 72.41 H new ATOM 0 HE1 TYR A 68 -9.058 2.960 5.994 1.00 1.32 H new ATOM 0 HE2 TYR A 68 -11.879 0.231 4.355 1.00 74.42 H new ATOM 0 HH TYR A 68 -10.679 3.530 4.551 1.00 4.14 H new ATOM 1067 N ARG A 69 -5.950 -0.211 7.866 1.00 44.24 N ATOM 1068 CA ARG A 69 -5.100 0.794 8.431 1.00 34.31 C ATOM 1069 C ARG A 69 -5.253 2.053 7.580 1.00 74.44 C ATOM 1070 O ARG A 69 -5.005 2.045 6.377 1.00 34.10 O ATOM 1071 CB ARG A 69 -3.637 0.314 8.464 1.00 62.11 C ATOM 1072 CG ARG A 69 -2.683 1.263 9.183 1.00 2.52 C ATOM 1073 CD ARG A 69 -2.919 1.313 10.693 1.00 62.32 C ATOM 1074 NE ARG A 69 -2.483 0.086 11.388 1.00 10.22 N ATOM 1075 CZ ARG A 69 -2.472 -0.089 12.728 1.00 63.13 C ATOM 1076 NH1 ARG A 69 -2.870 0.887 13.549 1.00 45.34 N ATOM 1077 NH2 ARG A 69 -2.031 -1.231 13.241 1.00 52.03 N ATOM 0 H ARG A 69 -5.729 -0.449 6.899 1.00 44.24 H new ATOM 0 HA ARG A 69 -5.384 1.003 9.462 1.00 34.31 H new ATOM 0 HB2 ARG A 69 -3.597 -0.661 8.950 1.00 62.11 H new ATOM 0 HB3 ARG A 69 -3.289 0.174 7.441 1.00 62.11 H new ATOM 0 HG2 ARG A 69 -1.656 0.952 8.991 1.00 2.52 H new ATOM 0 HG3 ARG A 69 -2.795 2.265 8.769 1.00 2.52 H new ATOM 0 HD2 ARG A 69 -2.387 2.168 11.110 1.00 62.32 H new ATOM 0 HD3 ARG A 69 -3.980 1.474 10.884 1.00 62.32 H new ATOM 0 HE ARG A 69 -2.164 -0.692 10.811 1.00 10.22 H new ATOM 0 HH11 ARG A 69 -3.187 1.778 13.166 1.00 45.34 H new ATOM 0 HH12 ARG A 69 -2.857 0.741 14.558 1.00 45.34 H new ATOM 0 HH21 ARG A 69 -1.702 -1.974 12.624 1.00 52.03 H new ATOM 0 HH22 ARG A 69 -2.021 -1.366 14.252 1.00 52.03 H new ATOM 1091 N LYS A 70 -5.700 3.087 8.193 1.00 43.32 N ATOM 1092 CA LYS A 70 -5.986 4.337 7.542 1.00 44.32 C ATOM 1093 C LYS A 70 -4.944 5.366 7.954 1.00 52.42 C ATOM 1094 O LYS A 70 -4.579 5.444 9.114 1.00 73.51 O ATOM 1095 CB LYS A 70 -7.368 4.776 8.007 1.00 41.13 C ATOM 1096 CG LYS A 70 -7.809 6.149 7.567 1.00 55.33 C ATOM 1097 CD LYS A 70 -9.063 6.522 8.311 1.00 65.04 C ATOM 1098 CE LYS A 70 -9.462 7.951 8.077 1.00 42.22 C ATOM 1099 NZ LYS A 70 -10.542 8.340 8.995 1.00 22.14 N ATOM 0 H LYS A 70 -5.887 3.099 9.196 1.00 43.32 H new ATOM 0 HA LYS A 70 -5.961 4.236 6.457 1.00 44.32 H new ATOM 0 HB2 LYS A 70 -8.098 4.050 7.649 1.00 41.13 H new ATOM 0 HB3 LYS A 70 -7.391 4.740 9.096 1.00 41.13 H new ATOM 0 HG2 LYS A 70 -7.023 6.878 7.764 1.00 55.33 H new ATOM 0 HG3 LYS A 70 -7.991 6.160 6.492 1.00 55.33 H new ATOM 0 HD2 LYS A 70 -9.876 5.865 8.001 1.00 65.04 H new ATOM 0 HD3 LYS A 70 -8.911 6.360 9.378 1.00 65.04 H new ATOM 0 HE2 LYS A 70 -8.601 8.604 8.221 1.00 42.22 H new ATOM 0 HE3 LYS A 70 -9.790 8.079 7.045 1.00 42.22 H new ATOM 0 HZ1 LYS A 70 -10.483 9.360 9.188 1.00 22.14 H new ATOM 0 HZ2 LYS A 70 -11.462 8.123 8.561 1.00 22.14 H new ATOM 0 HZ3 LYS A 70 -10.447 7.813 9.886 1.00 22.14 H new ATOM 1113 N TYR A 71 -4.453 6.123 7.022 1.00 4.34 N ATOM 1114 CA TYR A 71 -3.479 7.134 7.306 1.00 11.41 C ATOM 1115 C TYR A 71 -3.960 8.457 6.764 1.00 41.50 C ATOM 1116 O TYR A 71 -4.397 8.526 5.635 1.00 12.23 O ATOM 1117 CB TYR A 71 -2.191 6.820 6.583 1.00 42.32 C ATOM 1118 CG TYR A 71 -1.577 5.485 6.847 1.00 22.22 C ATOM 1119 CD1 TYR A 71 -1.906 4.391 6.065 1.00 23.44 C ATOM 1120 CD2 TYR A 71 -0.658 5.316 7.859 1.00 62.53 C ATOM 1121 CE1 TYR A 71 -1.337 3.170 6.287 1.00 74.30 C ATOM 1122 CE2 TYR A 71 -0.081 4.102 8.085 1.00 52.21 C ATOM 1123 CZ TYR A 71 -0.425 3.028 7.294 1.00 64.10 C ATOM 1124 OH TYR A 71 0.141 1.816 7.514 1.00 74.41 O ATOM 0 H TYR A 71 -4.717 6.058 6.039 1.00 4.34 H new ATOM 0 HA TYR A 71 -3.327 7.172 8.385 1.00 11.41 H new ATOM 0 HB2 TYR A 71 -2.374 6.903 5.512 1.00 42.32 H new ATOM 0 HB3 TYR A 71 -1.461 7.587 6.842 1.00 42.32 H new ATOM 0 HD1 TYR A 71 -2.624 4.505 5.267 1.00 23.44 H new ATOM 0 HD2 TYR A 71 -0.391 6.157 8.482 1.00 62.53 H new ATOM 0 HE1 TYR A 71 -1.606 2.324 5.672 1.00 74.30 H new ATOM 0 HE2 TYR A 71 0.641 3.983 8.879 1.00 52.21 H new ATOM 0 HH TYR A 71 0.243 1.673 8.478 1.00 74.41 H new ATOM 1134 N THR A 72 -3.899 9.478 7.551 1.00 13.32 N ATOM 1135 CA THR A 72 -4.180 10.807 7.072 1.00 24.31 C ATOM 1136 C THR A 72 -2.826 11.507 6.897 1.00 41.43 C ATOM 1137 O THR A 72 -2.129 11.760 7.878 1.00 54.40 O ATOM 1138 CB THR A 72 -5.058 11.560 8.083 1.00 41.33 C ATOM 1139 OG1 THR A 72 -6.171 10.712 8.441 1.00 21.43 O ATOM 1140 CG2 THR A 72 -5.595 12.851 7.483 1.00 72.15 C ATOM 0 H THR A 72 -3.655 9.425 8.540 1.00 13.32 H new ATOM 0 HA THR A 72 -4.725 10.781 6.128 1.00 24.31 H new ATOM 0 HB THR A 72 -4.458 11.809 8.958 1.00 41.33 H new ATOM 0 HG1 THR A 72 -6.742 11.177 9.088 1.00 21.43 H new ATOM 0 HG21 THR A 72 -6.213 13.365 8.219 1.00 72.15 H new ATOM 0 HG22 THR A 72 -4.762 13.493 7.197 1.00 72.15 H new ATOM 0 HG23 THR A 72 -6.195 12.621 6.602 1.00 72.15 H new ATOM 1148 N LEU A 73 -2.440 11.733 5.662 1.00 1.20 N ATOM 1149 CA LEU A 73 -1.122 12.250 5.325 1.00 4.42 C ATOM 1150 C LEU A 73 -1.119 13.727 5.071 1.00 41.32 C ATOM 1151 O LEU A 73 -2.038 14.276 4.444 1.00 52.52 O ATOM 1152 CB LEU A 73 -0.534 11.578 4.061 1.00 31.22 C ATOM 1153 CG LEU A 73 -0.112 10.115 4.138 1.00 2.43 C ATOM 1154 CD1 LEU A 73 0.858 9.907 5.263 1.00 42.54 C ATOM 1155 CD2 LEU A 73 -1.294 9.189 4.260 1.00 13.04 C ATOM 0 H LEU A 73 -3.034 11.563 4.851 1.00 1.20 H new ATOM 0 HA LEU A 73 -0.514 12.022 6.201 1.00 4.42 H new ATOM 0 HB2 LEU A 73 -1.273 11.667 3.265 1.00 31.22 H new ATOM 0 HB3 LEU A 73 0.337 12.157 3.754 1.00 31.22 H new ATOM 0 HG LEU A 73 0.386 9.867 3.201 1.00 2.43 H new ATOM 0 HD11 LEU A 73 1.149 8.857 5.303 1.00 42.54 H new ATOM 0 HD12 LEU A 73 1.743 10.522 5.099 1.00 42.54 H new ATOM 0 HD13 LEU A 73 0.389 10.190 6.205 1.00 42.54 H new ATOM 0 HD21 LEU A 73 -0.945 8.158 4.312 1.00 13.04 H new ATOM 0 HD22 LEU A 73 -1.852 9.429 5.165 1.00 13.04 H new ATOM 0 HD23 LEU A 73 -1.942 9.310 3.392 1.00 13.04 H new ATOM 1167 N GLU A 74 -0.078 14.351 5.548 1.00 65.43 N ATOM 1168 CA GLU A 74 0.216 15.727 5.274 1.00 44.42 C ATOM 1169 C GLU A 74 1.700 15.850 4.958 1.00 0.13 C ATOM 1170 O GLU A 74 2.533 15.905 5.842 1.00 31.43 O ATOM 1171 CB GLU A 74 -0.151 16.635 6.447 1.00 44.15 C ATOM 1172 CG GLU A 74 -1.633 16.679 6.786 1.00 0.22 C ATOM 1173 CD GLU A 74 -1.915 17.682 7.854 1.00 50.14 C ATOM 1174 OE1 GLU A 74 -1.844 18.900 7.562 1.00 42.41 O ATOM 1175 OE2 GLU A 74 -2.150 17.305 9.014 1.00 30.04 O ATOM 0 H GLU A 74 0.608 13.902 6.155 1.00 65.43 H new ATOM 0 HA GLU A 74 -0.384 16.050 4.423 1.00 44.42 H new ATOM 0 HB2 GLU A 74 0.398 16.305 7.329 1.00 44.15 H new ATOM 0 HB3 GLU A 74 0.185 17.647 6.223 1.00 44.15 H new ATOM 0 HG2 GLU A 74 -2.206 16.926 5.892 1.00 0.22 H new ATOM 0 HG3 GLU A 74 -1.963 15.693 7.114 1.00 0.22 H new ATOM 1182 N LYS A 75 2.022 15.839 3.707 1.00 2.55 N ATOM 1183 CA LYS A 75 3.385 15.967 3.263 1.00 51.21 C ATOM 1184 C LYS A 75 3.615 17.455 3.030 1.00 52.12 C ATOM 1185 O LYS A 75 3.501 17.935 1.900 1.00 65.21 O ATOM 1186 CB LYS A 75 3.603 15.151 1.963 1.00 52.30 C ATOM 1187 CG LYS A 75 5.037 15.097 1.384 1.00 44.44 C ATOM 1188 CD LYS A 75 5.884 13.926 1.927 1.00 62.33 C ATOM 1189 CE LYS A 75 6.384 14.103 3.358 1.00 72.00 C ATOM 1190 NZ LYS A 75 7.424 15.151 3.470 1.00 24.00 N ATOM 0 H LYS A 75 1.345 15.740 2.950 1.00 2.55 H new ATOM 0 HA LYS A 75 4.090 15.578 3.998 1.00 51.21 H new ATOM 0 HB2 LYS A 75 3.277 14.128 2.150 1.00 52.30 H new ATOM 0 HB3 LYS A 75 2.946 15.560 1.195 1.00 52.30 H new ATOM 0 HG2 LYS A 75 4.978 15.018 0.298 1.00 44.44 H new ATOM 0 HG3 LYS A 75 5.545 16.035 1.608 1.00 44.44 H new ATOM 0 HD2 LYS A 75 5.291 13.013 1.875 1.00 62.33 H new ATOM 0 HD3 LYS A 75 6.744 13.785 1.272 1.00 62.33 H new ATOM 0 HE2 LYS A 75 5.544 14.359 4.004 1.00 72.00 H new ATOM 0 HE3 LYS A 75 6.786 13.156 3.718 1.00 72.00 H new ATOM 0 HZ1 LYS A 75 7.477 15.484 4.454 1.00 24.00 H new ATOM 0 HZ2 LYS A 75 8.345 14.758 3.188 1.00 24.00 H new ATOM 0 HZ3 LYS A 75 7.182 15.948 2.847 1.00 24.00 H new ATOM 1204 N GLU A 76 3.783 18.175 4.148 1.00 53.11 N ATOM 1205 CA GLU A 76 3.937 19.648 4.219 1.00 15.11 C ATOM 1206 C GLU A 76 3.208 20.446 3.112 1.00 50.34 C ATOM 1207 O GLU A 76 3.818 20.886 2.129 1.00 41.41 O ATOM 1208 CB GLU A 76 5.390 20.159 4.483 1.00 75.41 C ATOM 1209 CG GLU A 76 6.489 19.793 3.464 1.00 22.34 C ATOM 1210 CD GLU A 76 6.934 18.355 3.526 1.00 11.01 C ATOM 1211 OE1 GLU A 76 7.480 17.938 4.576 1.00 73.34 O ATOM 1212 OE2 GLU A 76 6.788 17.616 2.523 1.00 74.41 O ATOM 0 H GLU A 76 3.818 17.736 5.068 1.00 53.11 H new ATOM 0 HA GLU A 76 3.391 19.880 5.134 1.00 15.11 H new ATOM 0 HB2 GLU A 76 5.352 21.246 4.556 1.00 75.41 H new ATOM 0 HB3 GLU A 76 5.702 19.785 5.458 1.00 75.41 H new ATOM 0 HG2 GLU A 76 6.123 20.005 2.460 1.00 22.34 H new ATOM 0 HG3 GLU A 76 7.353 20.437 3.631 1.00 22.34 H new ATOM 1219 N GLY A 77 1.901 20.584 3.256 1.00 41.32 N ATOM 1220 CA GLY A 77 1.103 21.307 2.275 1.00 50.24 C ATOM 1221 C GLY A 77 0.370 20.377 1.327 1.00 52.53 C ATOM 1222 O GLY A 77 -0.673 20.732 0.766 1.00 34.30 O ATOM 0 H GLY A 77 1.369 20.207 4.040 1.00 41.32 H new ATOM 0 HA2 GLY A 77 0.380 21.938 2.792 1.00 50.24 H new ATOM 0 HA3 GLY A 77 1.751 21.970 1.701 1.00 50.24 H new ATOM 1226 N LYS A 78 0.877 19.180 1.178 1.00 54.24 N ATOM 1227 CA LYS A 78 0.235 18.191 0.365 1.00 41.12 C ATOM 1228 C LYS A 78 -0.528 17.323 1.325 1.00 44.20 C ATOM 1229 O LYS A 78 -0.057 17.090 2.428 1.00 11.15 O ATOM 1230 CB LYS A 78 1.258 17.377 -0.414 1.00 4.32 C ATOM 1231 CG LYS A 78 2.155 18.191 -1.343 1.00 52.32 C ATOM 1232 CD LYS A 78 3.185 17.295 -2.022 1.00 63.23 C ATOM 1233 CE LYS A 78 4.041 18.053 -3.037 1.00 62.13 C ATOM 1234 NZ LYS A 78 4.847 19.133 -2.428 1.00 74.43 N ATOM 0 H LYS A 78 1.743 18.869 1.617 1.00 54.24 H new ATOM 0 HA LYS A 78 -0.421 18.643 -0.379 1.00 41.12 H new ATOM 0 HB2 LYS A 78 1.887 16.838 0.294 1.00 4.32 H new ATOM 0 HB3 LYS A 78 0.731 16.629 -1.006 1.00 4.32 H new ATOM 0 HG2 LYS A 78 1.547 18.691 -2.097 1.00 52.32 H new ATOM 0 HG3 LYS A 78 2.662 18.971 -0.775 1.00 52.32 H new ATOM 0 HD2 LYS A 78 3.832 16.852 -1.265 1.00 63.23 H new ATOM 0 HD3 LYS A 78 2.673 16.474 -2.524 1.00 63.23 H new ATOM 0 HE2 LYS A 78 4.707 17.350 -3.538 1.00 62.13 H new ATOM 0 HE3 LYS A 78 3.393 18.480 -3.803 1.00 62.13 H new ATOM 0 HZ1 LYS A 78 5.430 19.586 -3.160 1.00 74.43 H new ATOM 0 HZ2 LYS A 78 4.215 19.840 -2.002 1.00 74.43 H new ATOM 0 HZ3 LYS A 78 5.464 18.733 -1.693 1.00 74.43 H new ATOM 1248 N LYS A 79 -1.666 16.850 0.946 1.00 23.11 N ATOM 1249 CA LYS A 79 -2.539 16.223 1.895 1.00 3.24 C ATOM 1250 C LYS A 79 -3.293 15.084 1.231 1.00 34.13 C ATOM 1251 O LYS A 79 -3.514 15.126 0.020 1.00 73.45 O ATOM 1252 CB LYS A 79 -3.511 17.315 2.370 1.00 25.21 C ATOM 1253 CG LYS A 79 -4.484 17.785 1.281 1.00 42.31 C ATOM 1254 CD LYS A 79 -4.995 19.198 1.502 1.00 42.03 C ATOM 1255 CE LYS A 79 -3.936 20.246 1.135 1.00 32.04 C ATOM 1256 NZ LYS A 79 -3.543 20.191 -0.315 1.00 55.35 N ATOM 0 H LYS A 79 -2.019 16.882 -0.011 1.00 23.11 H new ATOM 0 HA LYS A 79 -1.987 15.800 2.734 1.00 3.24 H new ATOM 0 HB2 LYS A 79 -4.082 16.938 3.218 1.00 25.21 H new ATOM 0 HB3 LYS A 79 -2.937 18.170 2.727 1.00 25.21 H new ATOM 0 HG2 LYS A 79 -3.987 17.733 0.312 1.00 42.31 H new ATOM 0 HG3 LYS A 79 -5.332 17.101 1.241 1.00 42.31 H new ATOM 0 HD2 LYS A 79 -5.891 19.360 0.902 1.00 42.03 H new ATOM 0 HD3 LYS A 79 -5.284 19.322 2.546 1.00 42.03 H new ATOM 0 HE2 LYS A 79 -4.319 21.240 1.366 1.00 32.04 H new ATOM 0 HE3 LYS A 79 -3.051 20.094 1.753 1.00 32.04 H new ATOM 0 HZ1 LYS A 79 -2.802 20.896 -0.501 1.00 55.35 H new ATOM 0 HZ2 LYS A 79 -3.183 19.242 -0.541 1.00 55.35 H new ATOM 0 HZ3 LYS A 79 -4.373 20.397 -0.908 1.00 55.35 H new ATOM 1270 N GLY A 80 -3.643 14.079 1.993 1.00 65.30 N ATOM 1271 CA GLY A 80 -4.438 12.999 1.462 1.00 21.33 C ATOM 1272 C GLY A 80 -4.574 11.853 2.419 1.00 63.04 C ATOM 1273 O GLY A 80 -3.754 11.703 3.307 1.00 72.45 O ATOM 0 H GLY A 80 -3.392 13.985 2.977 1.00 65.30 H new ATOM 0 HA2 GLY A 80 -5.429 13.374 1.208 1.00 21.33 H new ATOM 0 HA3 GLY A 80 -3.986 12.642 0.537 1.00 21.33 H new ATOM 1277 N ILE A 81 -5.608 11.070 2.272 1.00 10.50 N ATOM 1278 CA ILE A 81 -5.814 9.929 3.121 1.00 12.54 C ATOM 1279 C ILE A 81 -5.438 8.677 2.346 1.00 63.41 C ATOM 1280 O ILE A 81 -5.692 8.564 1.150 1.00 45.13 O ATOM 1281 CB ILE A 81 -7.301 9.794 3.605 1.00 23.12 C ATOM 1282 CG1 ILE A 81 -7.818 11.123 4.160 1.00 51.05 C ATOM 1283 CG2 ILE A 81 -7.416 8.715 4.683 1.00 62.21 C ATOM 1284 CD1 ILE A 81 -9.257 11.085 4.642 1.00 13.14 C ATOM 0 H ILE A 81 -6.329 11.204 1.563 1.00 10.50 H new ATOM 0 HA ILE A 81 -5.192 10.058 4.007 1.00 12.54 H new ATOM 0 HB ILE A 81 -7.907 9.512 2.744 1.00 23.12 H new ATOM 0 HG12 ILE A 81 -7.179 11.430 4.988 1.00 51.05 H new ATOM 0 HG13 ILE A 81 -7.727 11.886 3.387 1.00 51.05 H new ATOM 0 HG21 ILE A 81 -8.453 8.634 5.008 1.00 62.21 H new ATOM 0 HG22 ILE A 81 -7.087 7.758 4.277 1.00 62.21 H new ATOM 0 HG23 ILE A 81 -6.789 8.982 5.534 1.00 62.21 H new ATOM 0 HD11 ILE A 81 -9.541 12.068 5.019 1.00 13.14 H new ATOM 0 HD12 ILE A 81 -9.911 10.811 3.814 1.00 13.14 H new ATOM 0 HD13 ILE A 81 -9.354 10.349 5.440 1.00 13.14 H new ATOM 1296 N VAL A 82 -4.793 7.780 3.006 1.00 74.21 N ATOM 1297 CA VAL A 82 -4.430 6.525 2.435 1.00 72.13 C ATOM 1298 C VAL A 82 -5.104 5.428 3.229 1.00 3.35 C ATOM 1299 O VAL A 82 -4.882 5.287 4.434 1.00 74.42 O ATOM 1300 CB VAL A 82 -2.888 6.335 2.400 1.00 1.12 C ATOM 1301 CG1 VAL A 82 -2.518 4.933 1.969 1.00 13.24 C ATOM 1302 CG2 VAL A 82 -2.270 7.337 1.439 1.00 12.22 C ATOM 0 H VAL A 82 -4.496 7.897 3.975 1.00 74.21 H new ATOM 0 HA VAL A 82 -4.765 6.487 1.399 1.00 72.13 H new ATOM 0 HB VAL A 82 -2.504 6.498 3.407 1.00 1.12 H new ATOM 0 HG11 VAL A 82 -1.433 4.831 1.954 1.00 13.24 H new ATOM 0 HG12 VAL A 82 -2.940 4.213 2.670 1.00 13.24 H new ATOM 0 HG13 VAL A 82 -2.914 4.743 0.971 1.00 13.24 H new ATOM 0 HG21 VAL A 82 -1.189 7.201 1.417 1.00 12.22 H new ATOM 0 HG22 VAL A 82 -2.676 7.181 0.440 1.00 12.22 H new ATOM 0 HG23 VAL A 82 -2.502 8.349 1.770 1.00 12.22 H new ATOM 1312 N HIS A 83 -5.966 4.713 2.580 1.00 74.12 N ATOM 1313 CA HIS A 83 -6.705 3.641 3.200 1.00 44.02 C ATOM 1314 C HIS A 83 -6.108 2.315 2.747 1.00 45.40 C ATOM 1315 O HIS A 83 -6.214 1.955 1.567 1.00 10.43 O ATOM 1316 CB HIS A 83 -8.184 3.695 2.767 1.00 65.42 C ATOM 1317 CG HIS A 83 -8.916 4.990 3.066 1.00 62.12 C ATOM 1318 ND1 HIS A 83 -9.884 5.109 4.033 1.00 13.01 N ATOM 1319 CD2 HIS A 83 -8.846 6.203 2.465 1.00 53.10 C ATOM 1320 CE1 HIS A 83 -10.361 6.352 4.000 1.00 61.52 C ATOM 1321 NE2 HIS A 83 -9.770 7.058 3.068 1.00 31.43 N ATOM 0 H HIS A 83 -6.185 4.852 1.594 1.00 74.12 H new ATOM 0 HA HIS A 83 -6.646 3.740 4.284 1.00 44.02 H new ATOM 0 HB2 HIS A 83 -8.235 3.511 1.694 1.00 65.42 H new ATOM 0 HB3 HIS A 83 -8.716 2.879 3.256 1.00 65.42 H new ATOM 0 HD2 HIS A 83 -8.184 6.465 1.653 1.00 53.10 H new ATOM 0 HE1 HIS A 83 -11.133 6.728 4.655 1.00 61.52 H new ATOM 0 HE2 HIS A 83 -9.949 8.034 2.831 1.00 31.43 H new ATOM 1329 N VAL A 84 -5.447 1.628 3.644 1.00 1.15 N ATOM 1330 CA VAL A 84 -4.853 0.343 3.339 1.00 31.31 C ATOM 1331 C VAL A 84 -5.681 -0.750 3.985 1.00 73.21 C ATOM 1332 O VAL A 84 -5.853 -0.765 5.194 1.00 62.34 O ATOM 1333 CB VAL A 84 -3.392 0.241 3.874 1.00 13.34 C ATOM 1334 CG1 VAL A 84 -2.766 -1.103 3.522 1.00 74.24 C ATOM 1335 CG2 VAL A 84 -2.535 1.371 3.340 1.00 11.32 C ATOM 0 H VAL A 84 -5.303 1.939 4.605 1.00 1.15 H new ATOM 0 HA VAL A 84 -4.832 0.231 2.255 1.00 31.31 H new ATOM 0 HB VAL A 84 -3.438 0.324 4.960 1.00 13.34 H new ATOM 0 HG11 VAL A 84 -1.748 -1.143 3.909 1.00 74.24 H new ATOM 0 HG12 VAL A 84 -3.354 -1.906 3.966 1.00 74.24 H new ATOM 0 HG13 VAL A 84 -2.747 -1.223 2.439 1.00 74.24 H new ATOM 0 HG21 VAL A 84 -1.522 1.274 3.730 1.00 11.32 H new ATOM 0 HG22 VAL A 84 -2.511 1.326 2.251 1.00 11.32 H new ATOM 0 HG23 VAL A 84 -2.955 2.326 3.655 1.00 11.32 H new ATOM 1345 N LYS A 85 -6.210 -1.627 3.204 1.00 3.13 N ATOM 1346 CA LYS A 85 -6.957 -2.735 3.730 1.00 50.01 C ATOM 1347 C LYS A 85 -6.321 -4.024 3.274 1.00 5.44 C ATOM 1348 O LYS A 85 -5.855 -4.127 2.132 1.00 32.45 O ATOM 1349 CB LYS A 85 -8.431 -2.655 3.321 1.00 63.41 C ATOM 1350 CG LYS A 85 -8.681 -2.576 1.816 1.00 52.34 C ATOM 1351 CD LYS A 85 -10.165 -2.604 1.500 1.00 5.32 C ATOM 1352 CE LYS A 85 -10.902 -1.394 2.059 1.00 41.21 C ATOM 1353 NZ LYS A 85 -12.344 -1.650 2.171 1.00 1.33 N ATOM 0 H LYS A 85 -6.142 -1.604 2.187 1.00 3.13 H new ATOM 0 HA LYS A 85 -6.933 -2.699 4.819 1.00 50.01 H new ATOM 0 HB2 LYS A 85 -8.949 -3.529 3.715 1.00 63.41 H new ATOM 0 HB3 LYS A 85 -8.877 -1.780 3.794 1.00 63.41 H new ATOM 0 HG2 LYS A 85 -8.240 -1.661 1.420 1.00 52.34 H new ATOM 0 HG3 LYS A 85 -8.186 -3.410 1.319 1.00 52.34 H new ATOM 0 HD2 LYS A 85 -10.303 -2.642 0.419 1.00 5.32 H new ATOM 0 HD3 LYS A 85 -10.604 -3.514 1.910 1.00 5.32 H new ATOM 0 HE2 LYS A 85 -10.498 -1.141 3.040 1.00 41.21 H new ATOM 0 HE3 LYS A 85 -10.733 -0.533 1.413 1.00 41.21 H new ATOM 0 HZ1 LYS A 85 -12.832 -0.772 2.441 1.00 1.33 H new ATOM 0 HZ2 LYS A 85 -12.710 -1.982 1.256 1.00 1.33 H new ATOM 0 HZ3 LYS A 85 -12.512 -2.377 2.896 1.00 1.33 H new ATOM 1367 N LEU A 86 -6.267 -4.993 4.145 1.00 1.22 N ATOM 1368 CA LEU A 86 -5.632 -6.235 3.811 1.00 20.03 C ATOM 1369 C LEU A 86 -6.711 -7.240 3.613 1.00 60.41 C ATOM 1370 O LEU A 86 -7.368 -7.615 4.560 1.00 23.03 O ATOM 1371 CB LEU A 86 -4.702 -6.695 4.944 1.00 10.32 C ATOM 1372 CG LEU A 86 -3.606 -5.715 5.374 1.00 42.32 C ATOM 1373 CD1 LEU A 86 -2.782 -6.300 6.510 1.00 40.43 C ATOM 1374 CD2 LEU A 86 -2.713 -5.360 4.201 1.00 75.52 C ATOM 0 H LEU A 86 -6.654 -4.946 5.088 1.00 1.22 H new ATOM 0 HA LEU A 86 -5.028 -6.118 2.912 1.00 20.03 H new ATOM 0 HB2 LEU A 86 -5.315 -6.924 5.816 1.00 10.32 H new ATOM 0 HB3 LEU A 86 -4.225 -7.626 4.636 1.00 10.32 H new ATOM 0 HG LEU A 86 -4.085 -4.803 5.729 1.00 42.32 H new ATOM 0 HD11 LEU A 86 -2.009 -5.590 6.802 1.00 40.43 H new ATOM 0 HD12 LEU A 86 -3.430 -6.502 7.363 1.00 40.43 H new ATOM 0 HD13 LEU A 86 -2.316 -7.229 6.181 1.00 40.43 H new ATOM 0 HD21 LEU A 86 -1.942 -4.663 4.529 1.00 75.52 H new ATOM 0 HD22 LEU A 86 -2.244 -6.265 3.814 1.00 75.52 H new ATOM 0 HD23 LEU A 86 -3.311 -4.897 3.416 1.00 75.52 H new ATOM 1386 N ARG A 87 -6.915 -7.645 2.419 1.00 70.25 N ATOM 1387 CA ARG A 87 -7.956 -8.568 2.114 1.00 14.31 C ATOM 1388 C ARG A 87 -7.436 -9.948 2.043 1.00 34.54 C ATOM 1389 O ARG A 87 -6.298 -10.181 1.731 1.00 25.45 O ATOM 1390 CB ARG A 87 -8.664 -8.215 0.814 1.00 70.31 C ATOM 1391 CG ARG A 87 -9.483 -6.968 0.909 1.00 41.54 C ATOM 1392 CD ARG A 87 -10.257 -6.699 -0.358 1.00 73.24 C ATOM 1393 NE ARG A 87 -11.262 -5.652 -0.144 1.00 72.22 N ATOM 1394 CZ ARG A 87 -11.838 -4.925 -1.101 1.00 64.43 C ATOM 1395 NH1 ARG A 87 -11.386 -4.992 -2.346 1.00 52.12 N ATOM 1396 NH2 ARG A 87 -12.851 -4.105 -0.808 1.00 24.05 N ATOM 0 H ARG A 87 -6.364 -7.348 1.614 1.00 70.25 H new ATOM 0 HA ARG A 87 -8.683 -8.504 2.924 1.00 14.31 H new ATOM 0 HB2 ARG A 87 -7.922 -8.095 0.025 1.00 70.31 H new ATOM 0 HB3 ARG A 87 -9.309 -9.044 0.522 1.00 70.31 H new ATOM 0 HG2 ARG A 87 -10.176 -7.053 1.746 1.00 41.54 H new ATOM 0 HG3 ARG A 87 -8.830 -6.121 1.121 1.00 41.54 H new ATOM 0 HD2 ARG A 87 -9.572 -6.395 -1.150 1.00 73.24 H new ATOM 0 HD3 ARG A 87 -10.745 -7.615 -0.692 1.00 73.24 H new ATOM 0 HE ARG A 87 -11.544 -5.465 0.818 1.00 72.22 H new ATOM 0 HH11 ARG A 87 -10.598 -5.600 -2.571 1.00 52.12 H new ATOM 0 HH12 ARG A 87 -11.826 -4.436 -3.079 1.00 52.12 H new ATOM 0 HH21 ARG A 87 -13.187 -4.033 0.152 1.00 24.05 H new ATOM 0 HH22 ARG A 87 -13.288 -3.551 -1.544 1.00 24.05 H new ATOM 1410 N LYS A 88 -8.251 -10.839 2.399 1.00 73.32 N ATOM 1411 CA LYS A 88 -7.948 -12.228 2.301 1.00 72.01 C ATOM 1412 C LYS A 88 -8.451 -12.745 0.945 1.00 25.44 C ATOM 1413 O LYS A 88 -9.655 -12.884 0.736 1.00 13.34 O ATOM 1414 CB LYS A 88 -8.652 -12.923 3.445 1.00 4.25 C ATOM 1415 CG LYS A 88 -8.479 -14.421 3.534 1.00 34.35 C ATOM 1416 CD LYS A 88 -9.330 -14.978 4.667 1.00 40.24 C ATOM 1417 CE LYS A 88 -10.804 -14.637 4.453 1.00 22.35 C ATOM 1418 NZ LYS A 88 -11.675 -15.169 5.502 1.00 43.41 N ATOM 0 H LYS A 88 -9.176 -10.640 2.779 1.00 73.32 H new ATOM 0 HA LYS A 88 -6.876 -12.418 2.362 1.00 72.01 H new ATOM 0 HB2 LYS A 88 -8.301 -12.483 4.379 1.00 4.25 H new ATOM 0 HB3 LYS A 88 -9.718 -12.707 3.371 1.00 4.25 H new ATOM 0 HG2 LYS A 88 -8.766 -14.885 2.591 1.00 34.35 H new ATOM 0 HG3 LYS A 88 -7.430 -14.665 3.703 1.00 34.35 H new ATOM 0 HD2 LYS A 88 -9.206 -16.059 4.724 1.00 40.24 H new ATOM 0 HD3 LYS A 88 -8.991 -14.568 5.618 1.00 40.24 H new ATOM 0 HE2 LYS A 88 -10.917 -13.554 4.410 1.00 22.35 H new ATOM 0 HE3 LYS A 88 -11.125 -15.030 3.488 1.00 22.35 H new ATOM 0 HZ1 LYS A 88 -12.661 -14.905 5.302 1.00 43.41 H new ATOM 0 HZ2 LYS A 88 -11.593 -16.205 5.529 1.00 43.41 H new ATOM 0 HZ3 LYS A 88 -11.391 -14.775 6.422 1.00 43.41 H new ATOM 1432 N ILE A 89 -7.539 -12.980 0.027 1.00 15.02 N ATOM 1433 CA ILE A 89 -7.891 -13.451 -1.304 1.00 23.02 C ATOM 1434 C ILE A 89 -7.875 -14.978 -1.322 1.00 44.42 C ATOM 1435 O ILE A 89 -6.838 -15.609 -1.141 1.00 44.21 O ATOM 1436 CB ILE A 89 -6.968 -12.817 -2.426 1.00 53.31 C ATOM 1437 CG1 ILE A 89 -7.211 -13.427 -3.822 1.00 30.42 C ATOM 1438 CG2 ILE A 89 -5.498 -12.867 -2.065 1.00 43.45 C ATOM 1439 CD1 ILE A 89 -6.304 -12.844 -4.912 1.00 25.22 C ATOM 0 H ILE A 89 -6.538 -12.853 0.176 1.00 15.02 H new ATOM 0 HA ILE A 89 -8.901 -13.117 -1.540 1.00 23.02 H new ATOM 0 HB ILE A 89 -7.260 -11.768 -2.478 1.00 53.31 H new ATOM 0 HG12 ILE A 89 -7.057 -14.505 -3.770 1.00 30.42 H new ATOM 0 HG13 ILE A 89 -8.252 -13.267 -4.103 1.00 30.42 H new ATOM 0 HG21 ILE A 89 -4.911 -12.420 -2.867 1.00 43.45 H new ATOM 0 HG22 ILE A 89 -5.331 -12.313 -1.141 1.00 43.45 H new ATOM 0 HG23 ILE A 89 -5.192 -13.904 -1.926 1.00 43.45 H new ATOM 0 HD11 ILE A 89 -6.530 -13.319 -5.866 1.00 25.22 H new ATOM 0 HD12 ILE A 89 -6.475 -11.770 -4.992 1.00 25.22 H new ATOM 0 HD13 ILE A 89 -5.261 -13.027 -4.654 1.00 25.22 H new ATOM 1451 N THR A 90 -9.039 -15.559 -1.478 1.00 74.43 N ATOM 1452 CA THR A 90 -9.192 -16.985 -1.443 1.00 42.51 C ATOM 1453 C THR A 90 -10.020 -17.446 -2.624 1.00 13.21 C ATOM 1454 O THR A 90 -10.276 -16.671 -3.540 1.00 14.33 O ATOM 1455 CB THR A 90 -9.848 -17.444 -0.116 1.00 11.41 C ATOM 1456 OG1 THR A 90 -11.023 -16.655 0.156 1.00 42.45 O ATOM 1457 CG2 THR A 90 -8.875 -17.347 1.052 1.00 4.44 C ATOM 0 H THR A 90 -9.909 -15.050 -1.633 1.00 74.43 H new ATOM 0 HA THR A 90 -8.202 -17.436 -1.503 1.00 42.51 H new ATOM 0 HB THR A 90 -10.132 -18.490 -0.230 1.00 11.41 H new ATOM 0 HG1 THR A 90 -11.431 -16.954 0.995 1.00 42.45 H new ATOM 0 HG21 THR A 90 -9.369 -17.677 1.966 1.00 4.44 H new ATOM 0 HG22 THR A 90 -8.010 -17.981 0.858 1.00 4.44 H new ATOM 0 HG23 THR A 90 -8.549 -16.314 1.169 1.00 4.44 H new ATOM 1465 N GLU A 91 -10.399 -18.697 -2.634 1.00 3.54 N ATOM 1466 CA GLU A 91 -11.259 -19.225 -3.666 1.00 13.11 C ATOM 1467 C GLU A 91 -12.710 -18.960 -3.283 1.00 4.04 C ATOM 1468 O GLU A 91 -13.629 -19.087 -4.095 1.00 14.33 O ATOM 1469 CB GLU A 91 -11.014 -20.737 -3.931 1.00 62.32 C ATOM 1470 CG GLU A 91 -11.291 -21.683 -2.746 1.00 35.51 C ATOM 1471 CD GLU A 91 -10.316 -21.535 -1.601 1.00 41.50 C ATOM 1472 OE1 GLU A 91 -10.452 -20.586 -0.809 1.00 22.22 O ATOM 1473 OE2 GLU A 91 -9.400 -22.371 -1.470 1.00 12.23 O ATOM 0 H GLU A 91 -10.122 -19.380 -1.929 1.00 3.54 H new ATOM 0 HA GLU A 91 -11.025 -18.716 -4.601 1.00 13.11 H new ATOM 0 HB2 GLU A 91 -11.638 -21.045 -4.770 1.00 62.32 H new ATOM 0 HB3 GLU A 91 -9.977 -20.868 -4.241 1.00 62.32 H new ATOM 0 HG2 GLU A 91 -12.300 -21.500 -2.377 1.00 35.51 H new ATOM 0 HG3 GLU A 91 -11.264 -22.713 -3.102 1.00 35.51 H new ATOM 1480 N ASN A 92 -12.897 -18.609 -2.036 1.00 33.43 N ATOM 1481 CA ASN A 92 -14.210 -18.247 -1.522 1.00 2.00 C ATOM 1482 C ASN A 92 -14.426 -16.764 -1.679 1.00 1.31 C ATOM 1483 O ASN A 92 -15.520 -16.322 -2.031 1.00 45.41 O ATOM 1484 CB ASN A 92 -14.415 -18.669 -0.050 1.00 10.33 C ATOM 1485 CG ASN A 92 -14.535 -20.175 0.147 1.00 50.53 C ATOM 1486 OD1 ASN A 92 -13.946 -20.973 -0.586 1.00 65.14 O ATOM 1487 ND2 ASN A 92 -15.305 -20.582 1.125 1.00 1.33 N ATOM 0 H ASN A 92 -12.150 -18.564 -1.343 1.00 33.43 H new ATOM 0 HA ASN A 92 -14.950 -18.793 -2.107 1.00 2.00 H new ATOM 0 HB2 ASN A 92 -13.579 -18.300 0.544 1.00 10.33 H new ATOM 0 HB3 ASN A 92 -15.315 -18.189 0.334 1.00 10.33 H new ATOM 0 HD21 ASN A 92 -15.429 -21.580 1.295 1.00 1.33 H new ATOM 0 HD22 ASN A 92 -15.781 -19.901 1.717 1.00 1.33 H new ATOM 1494 N CYS A 93 -13.390 -15.994 -1.429 1.00 5.10 N ATOM 1495 CA CYS A 93 -13.462 -14.577 -1.618 1.00 43.32 C ATOM 1496 C CYS A 93 -13.149 -14.238 -3.081 1.00 41.21 C ATOM 1497 O CYS A 93 -12.206 -14.776 -3.646 1.00 35.15 O ATOM 1498 CB CYS A 93 -12.501 -13.838 -0.679 1.00 65.04 C ATOM 1499 SG CYS A 93 -12.496 -12.021 -0.896 1.00 12.22 S ATOM 0 H CYS A 93 -12.489 -16.334 -1.094 1.00 5.10 H new ATOM 0 HA CYS A 93 -14.473 -14.248 -1.378 1.00 43.32 H new ATOM 0 HB2 CYS A 93 -12.768 -14.069 0.352 1.00 65.04 H new ATOM 0 HB3 CYS A 93 -11.491 -14.215 -0.839 1.00 65.04 H new ATOM 1504 N PRO A 94 -13.952 -13.399 -3.723 1.00 24.10 N ATOM 1505 CA PRO A 94 -13.726 -12.987 -5.104 1.00 43.52 C ATOM 1506 C PRO A 94 -12.615 -11.930 -5.212 1.00 2.51 C ATOM 1507 O PRO A 94 -12.748 -10.830 -4.659 1.00 64.22 O ATOM 1508 CB PRO A 94 -15.068 -12.376 -5.529 1.00 42.52 C ATOM 1509 CG PRO A 94 -15.996 -12.569 -4.375 1.00 1.21 C ATOM 1510 CD PRO A 94 -15.141 -12.778 -3.171 1.00 72.24 C ATOM 0 HA PRO A 94 -13.407 -13.822 -5.727 1.00 43.52 H new ATOM 0 HB2 PRO A 94 -14.957 -11.318 -5.767 1.00 42.52 H new ATOM 0 HB3 PRO A 94 -15.453 -12.865 -6.424 1.00 42.52 H new ATOM 0 HG2 PRO A 94 -16.640 -11.699 -4.246 1.00 1.21 H new ATOM 0 HG3 PRO A 94 -16.648 -13.427 -4.541 1.00 1.21 H new ATOM 0 HD2 PRO A 94 -14.911 -11.837 -2.671 1.00 72.24 H new ATOM 0 HD3 PRO A 94 -15.628 -13.419 -2.436 1.00 72.24 H new ATOM 1518 N PRO A 95 -11.499 -12.255 -5.911 1.00 43.52 N ATOM 1519 CA PRO A 95 -10.381 -11.337 -6.086 1.00 62.55 C ATOM 1520 C PRO A 95 -10.800 -10.078 -6.798 1.00 53.51 C ATOM 1521 O PRO A 95 -11.324 -10.113 -7.922 1.00 52.43 O ATOM 1522 CB PRO A 95 -9.392 -12.112 -6.964 1.00 3.31 C ATOM 1523 CG PRO A 95 -9.773 -13.532 -6.806 1.00 11.13 C ATOM 1524 CD PRO A 95 -11.251 -13.539 -6.560 1.00 75.23 C ATOM 0 HA PRO A 95 -9.966 -11.027 -5.127 1.00 62.55 H new ATOM 0 HB2 PRO A 95 -9.459 -11.799 -8.006 1.00 3.31 H new ATOM 0 HB3 PRO A 95 -8.364 -11.941 -6.646 1.00 3.31 H new ATOM 0 HG2 PRO A 95 -9.524 -14.104 -7.699 1.00 11.13 H new ATOM 0 HG3 PRO A 95 -9.237 -13.989 -5.974 1.00 11.13 H new ATOM 0 HD2 PRO A 95 -11.811 -13.633 -7.490 1.00 75.23 H new ATOM 0 HD3 PRO A 95 -11.547 -14.373 -5.924 1.00 75.23 H new ATOM 1532 N VAL A 96 -10.579 -8.988 -6.156 1.00 61.53 N ATOM 1533 CA VAL A 96 -10.888 -7.700 -6.700 1.00 41.32 C ATOM 1534 C VAL A 96 -9.672 -7.225 -7.478 1.00 4.22 C ATOM 1535 O VAL A 96 -8.552 -7.700 -7.250 1.00 5.00 O ATOM 1536 CB VAL A 96 -11.224 -6.681 -5.566 1.00 61.44 C ATOM 1537 CG1 VAL A 96 -11.761 -5.360 -6.113 1.00 33.43 C ATOM 1538 CG2 VAL A 96 -12.187 -7.282 -4.553 1.00 74.25 C ATOM 0 H VAL A 96 -10.172 -8.957 -5.221 1.00 61.53 H new ATOM 0 HA VAL A 96 -11.761 -7.772 -7.348 1.00 41.32 H new ATOM 0 HB VAL A 96 -10.287 -6.458 -5.056 1.00 61.44 H new ATOM 0 HG11 VAL A 96 -11.980 -4.685 -5.285 1.00 33.43 H new ATOM 0 HG12 VAL A 96 -11.014 -4.905 -6.764 1.00 33.43 H new ATOM 0 HG13 VAL A 96 -12.673 -5.545 -6.681 1.00 33.43 H new ATOM 0 HG21 VAL A 96 -12.402 -6.549 -3.776 1.00 74.25 H new ATOM 0 HG22 VAL A 96 -13.114 -7.562 -5.054 1.00 74.25 H new ATOM 0 HG23 VAL A 96 -11.736 -8.166 -4.103 1.00 74.25 H new ATOM 1548 N ASP A 97 -9.880 -6.335 -8.386 1.00 12.02 N ATOM 1549 CA ASP A 97 -8.811 -5.820 -9.203 1.00 30.35 C ATOM 1550 C ASP A 97 -8.759 -4.317 -9.038 1.00 23.41 C ATOM 1551 O ASP A 97 -9.739 -3.698 -8.580 1.00 54.25 O ATOM 1552 CB ASP A 97 -9.020 -6.216 -10.679 1.00 44.44 C ATOM 1553 CG ASP A 97 -7.863 -5.847 -11.588 1.00 62.41 C ATOM 1554 OD1 ASP A 97 -6.872 -6.597 -11.634 1.00 62.33 O ATOM 1555 OD2 ASP A 97 -7.933 -4.824 -12.277 1.00 72.24 O ATOM 0 H ASP A 97 -10.796 -5.936 -8.592 1.00 12.02 H new ATOM 0 HA ASP A 97 -7.860 -6.248 -8.886 1.00 30.35 H new ATOM 0 HB2 ASP A 97 -9.184 -7.292 -10.736 1.00 44.44 H new ATOM 0 HB3 ASP A 97 -9.926 -5.736 -11.048 1.00 44.44 H new ATOM 1560 N GLY A 98 -7.665 -3.752 -9.391 1.00 45.40 N ATOM 1561 CA GLY A 98 -7.414 -2.357 -9.274 1.00 61.14 C ATOM 1562 C GLY A 98 -6.131 -2.106 -9.920 1.00 54.22 C ATOM 1563 O GLY A 98 -5.655 -2.984 -10.639 1.00 44.34 O ATOM 0 H GLY A 98 -6.881 -4.270 -9.788 1.00 45.40 H new ATOM 0 HA2 GLY A 98 -8.207 -1.780 -9.750 1.00 61.14 H new ATOM 0 HA3 GLY A 98 -7.386 -2.055 -8.227 1.00 61.14 H new ATOM 1567 N ASN A 99 -5.569 -0.952 -9.697 1.00 13.44 N ATOM 1568 CA ASN A 99 -4.301 -0.597 -10.199 1.00 2.10 C ATOM 1569 C ASN A 99 -3.265 -1.629 -9.751 1.00 71.20 C ATOM 1570 O ASN A 99 -2.880 -1.680 -8.580 1.00 51.22 O ATOM 1571 CB ASN A 99 -3.923 0.786 -9.676 1.00 45.25 C ATOM 1572 CG ASN A 99 -2.778 1.363 -10.419 1.00 64.42 C ATOM 1573 OD1 ASN A 99 -2.759 1.128 -11.682 1.00 10.03 O flip ATOM 1574 ND2 ASN A 99 -1.933 2.070 -9.863 1.00 24.21 N flip ATOM 0 H ASN A 99 -6.007 -0.218 -9.141 1.00 13.44 H new ATOM 0 HA ASN A 99 -4.329 -0.574 -11.288 1.00 2.10 H new ATOM 0 HB2 ASN A 99 -4.782 1.452 -9.758 1.00 45.25 H new ATOM 0 HB3 ASN A 99 -3.672 0.718 -8.618 1.00 45.25 H new ATOM 0 HD21 ASN A 99 -1.985 2.231 -8.857 1.00 24.21 H new ATOM 0 HD22 ASN A 99 -1.183 2.493 -10.409 1.00 24.21 H new ATOM 1581 N ARG A 100 -2.891 -2.491 -10.647 1.00 13.05 N ATOM 1582 CA ARG A 100 -1.954 -3.522 -10.332 1.00 51.42 C ATOM 1583 C ARG A 100 -0.559 -3.036 -10.484 1.00 2.54 C ATOM 1584 O ARG A 100 -0.125 -2.695 -11.584 1.00 50.41 O ATOM 1585 CB ARG A 100 -2.143 -4.764 -11.183 1.00 51.11 C ATOM 1586 CG ARG A 100 -3.382 -5.576 -10.892 1.00 13.14 C ATOM 1587 CD ARG A 100 -3.322 -6.866 -11.677 1.00 73.13 C ATOM 1588 NE ARG A 100 -4.477 -7.735 -11.455 1.00 54.34 N ATOM 1589 CZ ARG A 100 -4.417 -9.070 -11.410 1.00 44.55 C ATOM 1590 NH1 ARG A 100 -3.258 -9.695 -11.637 1.00 70.54 N ATOM 1591 NH2 ARG A 100 -5.506 -9.779 -11.153 1.00 14.30 N ATOM 0 H ARG A 100 -3.225 -2.499 -11.611 1.00 13.05 H new ATOM 0 HA ARG A 100 -2.141 -3.793 -9.293 1.00 51.42 H new ATOM 0 HB2 ARG A 100 -2.166 -4.464 -12.231 1.00 51.11 H new ATOM 0 HB3 ARG A 100 -1.272 -5.406 -11.054 1.00 51.11 H new ATOM 0 HG2 ARG A 100 -3.451 -5.788 -9.825 1.00 13.14 H new ATOM 0 HG3 ARG A 100 -4.274 -5.012 -11.163 1.00 13.14 H new ATOM 0 HD2 ARG A 100 -3.251 -6.633 -12.739 1.00 73.13 H new ATOM 0 HD3 ARG A 100 -2.414 -7.405 -11.407 1.00 73.13 H new ATOM 0 HE ARG A 100 -5.388 -7.294 -11.326 1.00 54.34 H new ATOM 0 HH11 ARG A 100 -2.419 -9.154 -11.845 1.00 70.54 H new ATOM 0 HH12 ARG A 100 -3.212 -10.713 -11.603 1.00 70.54 H new ATOM 0 HH21 ARG A 100 -6.395 -9.307 -10.988 1.00 14.30 H new ATOM 0 HH22 ARG A 100 -5.456 -10.797 -11.120 1.00 14.30 H new ATOM 1605 N CYS A 101 0.133 -2.968 -9.397 1.00 42.42 N ATOM 1606 CA CYS A 101 1.511 -2.635 -9.443 1.00 23.25 C ATOM 1607 C CYS A 101 2.274 -3.895 -9.872 1.00 44.34 C ATOM 1608 O CYS A 101 1.875 -5.012 -9.505 1.00 15.21 O ATOM 1609 CB CYS A 101 2.005 -2.115 -8.075 1.00 53.25 C ATOM 1610 SG CYS A 101 3.788 -1.711 -8.006 1.00 2.43 S ATOM 0 H CYS A 101 -0.238 -3.140 -8.463 1.00 42.42 H new ATOM 0 HA CYS A 101 1.684 -1.830 -10.157 1.00 23.25 H new ATOM 0 HB2 CYS A 101 1.435 -1.224 -7.813 1.00 53.25 H new ATOM 0 HB3 CYS A 101 1.788 -2.867 -7.316 1.00 53.25 H new ATOM 1615 N SER A 102 3.289 -3.740 -10.692 1.00 25.41 N ATOM 1616 CA SER A 102 4.101 -4.858 -11.105 1.00 1.43 C ATOM 1617 C SER A 102 4.827 -5.414 -9.868 1.00 3.12 C ATOM 1618 O SER A 102 5.619 -4.697 -9.227 1.00 1.53 O ATOM 1619 CB SER A 102 5.090 -4.383 -12.166 1.00 3.21 C ATOM 1620 OG SER A 102 4.406 -3.666 -13.199 1.00 30.21 O ATOM 0 H SER A 102 3.572 -2.843 -11.087 1.00 25.41 H new ATOM 0 HA SER A 102 3.492 -5.651 -11.538 1.00 1.43 H new ATOM 0 HB2 SER A 102 5.845 -3.743 -11.709 1.00 3.21 H new ATOM 0 HB3 SER A 102 5.614 -5.238 -12.593 1.00 3.21 H new ATOM 0 HG SER A 102 5.052 -3.366 -13.872 1.00 30.21 H new ATOM 1626 N VAL A 103 4.534 -6.660 -9.525 1.00 31.03 N ATOM 1627 CA VAL A 103 5.028 -7.264 -8.294 1.00 74.31 C ATOM 1628 C VAL A 103 6.488 -7.639 -8.435 1.00 33.21 C ATOM 1629 O VAL A 103 6.929 -8.135 -9.479 1.00 62.14 O ATOM 1630 CB VAL A 103 4.231 -8.541 -7.900 1.00 34.34 C ATOM 1631 CG1 VAL A 103 4.565 -9.006 -6.481 1.00 13.23 C ATOM 1632 CG2 VAL A 103 2.736 -8.352 -8.073 1.00 32.32 C ATOM 0 H VAL A 103 3.950 -7.279 -10.088 1.00 31.03 H new ATOM 0 HA VAL A 103 4.899 -6.516 -7.511 1.00 74.31 H new ATOM 0 HB VAL A 103 4.544 -9.327 -8.587 1.00 34.34 H new ATOM 0 HG11 VAL A 103 3.987 -9.900 -6.246 1.00 13.23 H new ATOM 0 HG12 VAL A 103 5.629 -9.233 -6.414 1.00 13.23 H new ATOM 0 HG13 VAL A 103 4.317 -8.216 -5.772 1.00 13.23 H new ATOM 0 HG21 VAL A 103 2.218 -9.267 -7.787 1.00 32.32 H new ATOM 0 HG22 VAL A 103 2.398 -7.531 -7.441 1.00 32.32 H new ATOM 0 HG23 VAL A 103 2.517 -8.122 -9.116 1.00 32.32 H new ATOM 1642 N LEU A 104 7.207 -7.434 -7.391 1.00 30.24 N ATOM 1643 CA LEU A 104 8.609 -7.713 -7.324 1.00 14.45 C ATOM 1644 C LEU A 104 8.931 -7.768 -5.835 1.00 53.44 C ATOM 1645 O LEU A 104 8.006 -7.973 -5.032 1.00 71.13 O ATOM 1646 CB LEU A 104 9.396 -6.607 -8.067 1.00 72.31 C ATOM 1647 CG LEU A 104 10.838 -6.941 -8.481 1.00 34.14 C ATOM 1648 CD1 LEU A 104 10.871 -8.178 -9.363 1.00 33.34 C ATOM 1649 CD2 LEU A 104 11.455 -5.769 -9.217 1.00 63.13 C ATOM 0 H LEU A 104 6.828 -7.053 -6.524 1.00 30.24 H new ATOM 0 HA LEU A 104 8.888 -8.650 -7.806 1.00 14.45 H new ATOM 0 HB2 LEU A 104 8.839 -6.338 -8.964 1.00 72.31 H new ATOM 0 HB3 LEU A 104 9.422 -5.722 -7.431 1.00 72.31 H new ATOM 0 HG LEU A 104 11.415 -7.141 -7.578 1.00 34.14 H new ATOM 0 HD11 LEU A 104 11.901 -8.397 -9.645 1.00 33.34 H new ATOM 0 HD12 LEU A 104 10.456 -9.025 -8.817 1.00 33.34 H new ATOM 0 HD13 LEU A 104 10.279 -8.000 -10.261 1.00 33.34 H new ATOM 0 HD21 LEU A 104 12.476 -6.017 -9.505 1.00 63.13 H new ATOM 0 HD22 LEU A 104 10.869 -5.551 -10.110 1.00 63.13 H new ATOM 0 HD23 LEU A 104 11.464 -4.895 -8.566 1.00 63.13 H new ATOM 1661 N GLU A 105 10.164 -7.604 -5.446 1.00 2.31 N ATOM 1662 CA GLU A 105 10.491 -7.660 -4.051 1.00 12.24 C ATOM 1663 C GLU A 105 10.383 -6.305 -3.388 1.00 61.51 C ATOM 1664 O GLU A 105 10.244 -5.274 -4.076 1.00 3.01 O ATOM 1665 CB GLU A 105 11.842 -8.300 -3.803 1.00 25.00 C ATOM 1666 CG GLU A 105 11.909 -9.744 -4.242 1.00 5.33 C ATOM 1667 CD GLU A 105 13.140 -10.419 -3.740 1.00 3.54 C ATOM 1668 OE1 GLU A 105 13.139 -10.881 -2.583 1.00 4.14 O ATOM 1669 OE2 GLU A 105 14.145 -10.482 -4.470 1.00 1.34 O ATOM 0 H GLU A 105 10.953 -7.432 -6.070 1.00 2.31 H new ATOM 0 HA GLU A 105 9.746 -8.305 -3.585 1.00 12.24 H new ATOM 0 HB2 GLU A 105 12.608 -7.731 -4.330 1.00 25.00 H new ATOM 0 HB3 GLU A 105 12.075 -8.239 -2.740 1.00 25.00 H new ATOM 0 HG2 GLU A 105 11.029 -10.275 -3.879 1.00 5.33 H new ATOM 0 HG3 GLU A 105 11.885 -9.794 -5.331 1.00 5.33 H new ATOM 1676 N PHE A 106 10.536 -6.340 -2.063 1.00 1.04 N ATOM 1677 CA PHE A 106 10.310 -5.226 -1.124 1.00 20.52 C ATOM 1678 C PHE A 106 10.617 -3.842 -1.645 1.00 74.42 C ATOM 1679 O PHE A 106 9.737 -2.997 -1.696 1.00 3.20 O ATOM 1680 CB PHE A 106 11.045 -5.488 0.215 1.00 11.14 C ATOM 1681 CG PHE A 106 11.064 -4.316 1.188 1.00 2.33 C ATOM 1682 CD1 PHE A 106 9.935 -3.958 1.916 1.00 55.51 C ATOM 1683 CD2 PHE A 106 12.229 -3.583 1.379 1.00 73.42 C ATOM 1684 CE1 PHE A 106 9.970 -2.903 2.804 1.00 34.32 C ATOM 1685 CE2 PHE A 106 12.265 -2.524 2.263 1.00 72.01 C ATOM 1686 CZ PHE A 106 11.135 -2.185 2.976 1.00 2.33 C ATOM 0 H PHE A 106 10.837 -7.189 -1.585 1.00 1.04 H new ATOM 0 HA PHE A 106 9.231 -5.215 -0.971 1.00 20.52 H new ATOM 0 HB2 PHE A 106 10.576 -6.340 0.707 1.00 11.14 H new ATOM 0 HB3 PHE A 106 12.074 -5.773 -0.004 1.00 11.14 H new ATOM 0 HD1 PHE A 106 9.018 -4.513 1.785 1.00 55.51 H new ATOM 0 HD2 PHE A 106 13.119 -3.846 0.827 1.00 73.42 H new ATOM 0 HE1 PHE A 106 9.085 -2.639 3.364 1.00 34.32 H new ATOM 0 HE2 PHE A 106 13.177 -1.962 2.396 1.00 72.01 H new ATOM 0 HZ PHE A 106 11.162 -1.357 3.669 1.00 2.33 H new ATOM 1696 N GLU A 107 11.824 -3.617 -2.067 1.00 13.44 N ATOM 1697 CA GLU A 107 12.241 -2.269 -2.388 1.00 64.54 C ATOM 1698 C GLU A 107 11.546 -1.706 -3.634 1.00 41.32 C ATOM 1699 O GLU A 107 11.448 -0.488 -3.801 1.00 21.31 O ATOM 1700 CB GLU A 107 13.767 -2.129 -2.443 1.00 31.21 C ATOM 1701 CG GLU A 107 14.242 -0.683 -2.440 1.00 72.41 C ATOM 1702 CD GLU A 107 15.733 -0.552 -2.463 1.00 72.42 C ATOM 1703 OE1 GLU A 107 16.362 -0.605 -1.387 1.00 42.33 O ATOM 1704 OE2 GLU A 107 16.314 -0.384 -3.562 1.00 14.40 O ATOM 0 H GLU A 107 12.537 -4.334 -2.199 1.00 13.44 H new ATOM 0 HA GLU A 107 11.906 -1.644 -1.560 1.00 64.54 H new ATOM 0 HB2 GLU A 107 14.203 -2.649 -1.590 1.00 31.21 H new ATOM 0 HB3 GLU A 107 14.138 -2.624 -3.341 1.00 31.21 H new ATOM 0 HG2 GLU A 107 13.825 -0.169 -3.306 1.00 72.41 H new ATOM 0 HG3 GLU A 107 13.853 -0.181 -1.554 1.00 72.41 H new ATOM 1711 N ARG A 108 11.039 -2.559 -4.482 1.00 32.41 N ATOM 1712 CA ARG A 108 10.314 -2.082 -5.617 1.00 4.34 C ATOM 1713 C ARG A 108 8.848 -1.882 -5.281 1.00 3.51 C ATOM 1714 O ARG A 108 8.265 -0.850 -5.639 1.00 1.23 O ATOM 1715 CB ARG A 108 10.504 -2.963 -6.867 1.00 12.52 C ATOM 1716 CG ARG A 108 9.562 -2.622 -8.042 1.00 34.34 C ATOM 1717 CD ARG A 108 9.756 -1.201 -8.589 1.00 43.44 C ATOM 1718 NE ARG A 108 11.003 -1.039 -9.342 1.00 20.34 N ATOM 1719 CZ ARG A 108 11.219 -0.088 -10.264 1.00 51.01 C ATOM 1720 NH1 ARG A 108 10.323 0.877 -10.462 1.00 63.21 N ATOM 1721 NH2 ARG A 108 12.352 -0.085 -10.948 1.00 75.31 N ATOM 0 H ARG A 108 11.115 -3.573 -4.407 1.00 32.41 H new ATOM 0 HA ARG A 108 10.735 -1.110 -5.874 1.00 4.34 H new ATOM 0 HB2 ARG A 108 11.536 -2.871 -7.207 1.00 12.52 H new ATOM 0 HB3 ARG A 108 10.352 -4.006 -6.587 1.00 12.52 H new ATOM 0 HG2 ARG A 108 9.725 -3.338 -8.847 1.00 34.34 H new ATOM 0 HG3 ARG A 108 8.529 -2.739 -7.715 1.00 34.34 H new ATOM 0 HD2 ARG A 108 8.914 -0.948 -9.234 1.00 43.44 H new ATOM 0 HD3 ARG A 108 9.745 -0.494 -7.759 1.00 43.44 H new ATOM 0 HE ARG A 108 11.760 -1.695 -9.152 1.00 20.34 H new ATOM 0 HH11 ARG A 108 9.465 0.897 -9.911 1.00 63.21 H new ATOM 0 HH12 ARG A 108 10.495 1.596 -11.165 1.00 63.21 H new ATOM 0 HH21 ARG A 108 13.055 -0.803 -10.773 1.00 75.31 H new ATOM 0 HH22 ARG A 108 12.522 0.635 -11.650 1.00 75.31 H new ATOM 1735 N ASP A 109 8.255 -2.803 -4.557 1.00 53.33 N ATOM 1736 CA ASP A 109 6.840 -2.679 -4.302 1.00 43.13 C ATOM 1737 C ASP A 109 6.553 -1.666 -3.227 1.00 14.24 C ATOM 1738 O ASP A 109 5.544 -0.965 -3.301 1.00 44.24 O ATOM 1739 CB ASP A 109 6.084 -4.024 -4.116 1.00 54.34 C ATOM 1740 CG ASP A 109 6.479 -4.840 -2.915 1.00 43.04 C ATOM 1741 OD1 ASP A 109 7.662 -5.003 -2.678 1.00 55.12 O ATOM 1742 OD2 ASP A 109 5.583 -5.402 -2.237 1.00 60.04 O ATOM 0 H ASP A 109 8.711 -3.618 -4.147 1.00 53.33 H new ATOM 0 HA ASP A 109 6.414 -2.288 -5.226 1.00 43.13 H new ATOM 0 HB2 ASP A 109 5.017 -3.813 -4.052 1.00 54.34 H new ATOM 0 HB3 ASP A 109 6.236 -4.630 -5.009 1.00 54.34 H new ATOM 1747 N ILE A 110 7.476 -1.495 -2.276 1.00 41.13 N ATOM 1748 CA ILE A 110 7.282 -0.460 -1.279 1.00 53.30 C ATOM 1749 C ILE A 110 7.428 0.915 -1.925 1.00 1.23 C ATOM 1750 O ILE A 110 6.648 1.816 -1.640 1.00 70.13 O ATOM 1751 CB ILE A 110 8.190 -0.567 0.011 1.00 24.23 C ATOM 1752 CG1 ILE A 110 7.713 0.460 1.058 1.00 72.32 C ATOM 1753 CG2 ILE A 110 9.668 -0.317 -0.313 1.00 63.25 C ATOM 1754 CD1 ILE A 110 8.430 0.389 2.391 1.00 52.33 C ATOM 0 H ILE A 110 8.332 -2.042 -2.182 1.00 41.13 H new ATOM 0 HA ILE A 110 6.269 -0.611 -0.907 1.00 53.30 H new ATOM 0 HB ILE A 110 8.099 -1.580 0.404 1.00 24.23 H new ATOM 0 HG12 ILE A 110 7.838 1.462 0.647 1.00 72.32 H new ATOM 0 HG13 ILE A 110 6.646 0.316 1.227 1.00 72.32 H new ATOM 0 HG21 ILE A 110 10.259 -0.399 0.599 1.00 63.25 H new ATOM 0 HG22 ILE A 110 10.012 -1.056 -1.036 1.00 63.25 H new ATOM 0 HG23 ILE A 110 9.785 0.682 -0.732 1.00 63.25 H new ATOM 0 HD11 ILE A 110 8.027 1.148 3.062 1.00 52.33 H new ATOM 0 HD12 ILE A 110 8.284 -0.598 2.830 1.00 52.33 H new ATOM 0 HD13 ILE A 110 9.495 0.566 2.241 1.00 52.33 H new ATOM 1766 N GLU A 111 8.389 1.057 -2.862 1.00 53.13 N ATOM 1767 CA GLU A 111 8.584 2.328 -3.531 1.00 61.05 C ATOM 1768 C GLU A 111 7.368 2.634 -4.381 1.00 62.21 C ATOM 1769 O GLU A 111 6.939 3.768 -4.462 1.00 23.02 O ATOM 1770 CB GLU A 111 9.856 2.360 -4.389 1.00 41.43 C ATOM 1771 CG GLU A 111 10.099 3.727 -5.027 1.00 32.15 C ATOM 1772 CD GLU A 111 11.304 3.777 -5.919 1.00 64.32 C ATOM 1773 OE1 GLU A 111 11.187 3.450 -7.119 1.00 2.23 O ATOM 1774 OE2 GLU A 111 12.379 4.191 -5.456 1.00 44.24 O ATOM 0 H GLU A 111 9.023 0.314 -3.157 1.00 53.13 H new ATOM 0 HA GLU A 111 8.710 3.091 -2.763 1.00 61.05 H new ATOM 0 HB2 GLU A 111 10.714 2.094 -3.771 1.00 41.43 H new ATOM 0 HB3 GLU A 111 9.781 1.606 -5.172 1.00 41.43 H new ATOM 0 HG2 GLU A 111 9.219 4.008 -5.606 1.00 32.15 H new ATOM 0 HG3 GLU A 111 10.212 4.470 -4.238 1.00 32.15 H new ATOM 1781 N CYS A 112 6.806 1.602 -4.967 1.00 2.31 N ATOM 1782 CA CYS A 112 5.602 1.709 -5.772 1.00 51.11 C ATOM 1783 C CYS A 112 4.450 2.258 -4.912 1.00 13.33 C ATOM 1784 O CYS A 112 3.743 3.189 -5.321 1.00 13.01 O ATOM 1785 CB CYS A 112 5.271 0.331 -6.366 1.00 61.24 C ATOM 1786 SG CYS A 112 3.864 0.261 -7.522 1.00 50.22 S ATOM 0 H CYS A 112 7.173 0.653 -4.900 1.00 2.31 H new ATOM 0 HA CYS A 112 5.755 2.405 -6.596 1.00 51.11 H new ATOM 0 HB2 CYS A 112 6.156 -0.039 -6.883 1.00 61.24 H new ATOM 0 HB3 CYS A 112 5.072 -0.356 -5.544 1.00 61.24 H new ATOM 1791 N ILE A 113 4.308 1.712 -3.703 1.00 74.15 N ATOM 1792 CA ILE A 113 3.323 2.181 -2.729 1.00 23.35 C ATOM 1793 C ILE A 113 3.604 3.635 -2.366 1.00 30.04 C ATOM 1794 O ILE A 113 2.699 4.480 -2.378 1.00 52.02 O ATOM 1795 CB ILE A 113 3.350 1.308 -1.430 1.00 11.11 C ATOM 1796 CG1 ILE A 113 2.985 -0.161 -1.718 1.00 45.40 C ATOM 1797 CG2 ILE A 113 2.460 1.884 -0.334 1.00 63.44 C ATOM 1798 CD1 ILE A 113 1.598 -0.369 -2.288 1.00 1.50 C ATOM 0 H ILE A 113 4.874 0.931 -3.372 1.00 74.15 H new ATOM 0 HA ILE A 113 2.336 2.096 -3.183 1.00 23.35 H new ATOM 0 HB ILE A 113 4.377 1.330 -1.065 1.00 11.11 H new ATOM 0 HG12 ILE A 113 3.715 -0.572 -2.415 1.00 45.40 H new ATOM 0 HG13 ILE A 113 3.072 -0.731 -0.793 1.00 45.40 H new ATOM 0 HG21 ILE A 113 2.510 1.246 0.548 1.00 63.44 H new ATOM 0 HG22 ILE A 113 2.802 2.886 -0.077 1.00 63.44 H new ATOM 0 HG23 ILE A 113 1.431 1.932 -0.689 1.00 63.44 H new ATOM 0 HD11 ILE A 113 1.430 -1.432 -2.458 1.00 1.50 H new ATOM 0 HD12 ILE A 113 0.855 0.007 -1.585 1.00 1.50 H new ATOM 0 HD13 ILE A 113 1.508 0.168 -3.232 1.00 1.50 H new ATOM 1810 N VAL A 114 4.867 3.924 -2.100 1.00 5.24 N ATOM 1811 CA VAL A 114 5.295 5.257 -1.723 1.00 2.11 C ATOM 1812 C VAL A 114 4.992 6.240 -2.849 1.00 10.44 C ATOM 1813 O VAL A 114 4.455 7.299 -2.617 1.00 42.23 O ATOM 1814 CB VAL A 114 6.815 5.295 -1.333 1.00 2.44 C ATOM 1815 CG1 VAL A 114 7.291 6.713 -1.067 1.00 2.30 C ATOM 1816 CG2 VAL A 114 7.066 4.449 -0.093 1.00 64.33 C ATOM 0 H VAL A 114 5.623 3.240 -2.140 1.00 5.24 H new ATOM 0 HA VAL A 114 4.734 5.553 -0.837 1.00 2.11 H new ATOM 0 HB VAL A 114 7.374 4.892 -2.178 1.00 2.44 H new ATOM 0 HG11 VAL A 114 8.348 6.698 -0.800 1.00 2.30 H new ATOM 0 HG12 VAL A 114 7.152 7.318 -1.963 1.00 2.30 H new ATOM 0 HG13 VAL A 114 6.716 7.142 -0.247 1.00 2.30 H new ATOM 0 HG21 VAL A 114 8.125 4.486 0.164 1.00 64.33 H new ATOM 0 HG22 VAL A 114 6.477 4.837 0.738 1.00 64.33 H new ATOM 0 HG23 VAL A 114 6.777 3.417 -0.292 1.00 64.33 H new ATOM 1826 N LYS A 115 5.263 5.830 -4.069 1.00 24.54 N ATOM 1827 CA LYS A 115 5.028 6.659 -5.235 1.00 25.11 C ATOM 1828 C LYS A 115 3.564 6.888 -5.481 1.00 44.53 C ATOM 1829 O LYS A 115 3.185 7.938 -5.945 1.00 14.43 O ATOM 1830 CB LYS A 115 5.734 6.113 -6.477 1.00 34.45 C ATOM 1831 CG LYS A 115 7.237 6.295 -6.428 1.00 11.34 C ATOM 1832 CD LYS A 115 7.607 7.765 -6.554 1.00 53.34 C ATOM 1833 CE LYS A 115 9.056 8.005 -6.210 1.00 33.40 C ATOM 1834 NZ LYS A 115 9.321 7.742 -4.778 1.00 41.13 N ATOM 0 H LYS A 115 5.653 4.912 -4.283 1.00 24.54 H new ATOM 0 HA LYS A 115 5.468 7.633 -5.020 1.00 25.11 H new ATOM 0 HB2 LYS A 115 5.505 5.053 -6.583 1.00 34.45 H new ATOM 0 HB3 LYS A 115 5.341 6.614 -7.362 1.00 34.45 H new ATOM 0 HG2 LYS A 115 7.626 5.896 -5.491 1.00 11.34 H new ATOM 0 HG3 LYS A 115 7.703 5.728 -7.234 1.00 11.34 H new ATOM 0 HD2 LYS A 115 7.413 8.103 -7.572 1.00 53.34 H new ATOM 0 HD3 LYS A 115 6.973 8.358 -5.895 1.00 53.34 H new ATOM 0 HE2 LYS A 115 9.688 7.362 -6.823 1.00 33.40 H new ATOM 0 HE3 LYS A 115 9.322 9.035 -6.448 1.00 33.40 H new ATOM 0 HZ1 LYS A 115 10.208 8.208 -4.498 1.00 41.13 H new ATOM 0 HZ2 LYS A 115 8.537 8.116 -4.206 1.00 41.13 H new ATOM 0 HZ3 LYS A 115 9.404 6.717 -4.623 1.00 41.13 H new ATOM 1848 N ALA A 116 2.739 5.927 -5.147 1.00 71.11 N ATOM 1849 CA ALA A 116 1.314 6.108 -5.291 1.00 4.10 C ATOM 1850 C ALA A 116 0.821 7.144 -4.306 1.00 50.10 C ATOM 1851 O ALA A 116 -0.009 7.987 -4.637 1.00 14.35 O ATOM 1852 CB ALA A 116 0.561 4.800 -5.153 1.00 14.32 C ATOM 0 H ALA A 116 3.024 5.020 -4.777 1.00 71.11 H new ATOM 0 HA ALA A 116 1.117 6.471 -6.300 1.00 4.10 H new ATOM 0 HB1 ALA A 116 -0.508 4.981 -5.268 1.00 14.32 H new ATOM 0 HB2 ALA A 116 0.896 4.104 -5.923 1.00 14.32 H new ATOM 0 HB3 ALA A 116 0.753 4.372 -4.169 1.00 14.32 H new ATOM 1858 N ILE A 117 1.364 7.104 -3.116 1.00 1.50 N ATOM 1859 CA ILE A 117 1.027 8.082 -2.109 1.00 12.32 C ATOM 1860 C ILE A 117 1.600 9.448 -2.490 1.00 72.20 C ATOM 1861 O ILE A 117 0.877 10.455 -2.502 1.00 12.44 O ATOM 1862 CB ILE A 117 1.532 7.657 -0.703 1.00 4.51 C ATOM 1863 CG1 ILE A 117 0.935 6.295 -0.319 1.00 13.13 C ATOM 1864 CG2 ILE A 117 1.183 8.721 0.348 1.00 41.25 C ATOM 1865 CD1 ILE A 117 1.445 5.743 0.995 1.00 2.23 C ATOM 0 H ILE A 117 2.043 6.404 -2.819 1.00 1.50 H new ATOM 0 HA ILE A 117 -0.060 8.150 -2.061 1.00 12.32 H new ATOM 0 HB ILE A 117 2.618 7.565 -0.737 1.00 4.51 H new ATOM 0 HG12 ILE A 117 -0.150 6.389 -0.265 1.00 13.13 H new ATOM 0 HG13 ILE A 117 1.154 5.579 -1.111 1.00 13.13 H new ATOM 0 HG21 ILE A 117 1.547 8.401 1.324 1.00 41.25 H new ATOM 0 HG22 ILE A 117 1.653 9.667 0.078 1.00 41.25 H new ATOM 0 HG23 ILE A 117 0.102 8.851 0.389 1.00 41.25 H new ATOM 0 HD11 ILE A 117 0.974 4.780 1.192 1.00 2.23 H new ATOM 0 HD12 ILE A 117 2.526 5.614 0.941 1.00 2.23 H new ATOM 0 HD13 ILE A 117 1.202 6.437 1.800 1.00 2.23 H new ATOM 1877 N GLU A 118 2.860 9.464 -2.880 1.00 4.15 N ATOM 1878 CA GLU A 118 3.537 10.704 -3.209 1.00 14.11 C ATOM 1879 C GLU A 118 2.915 11.354 -4.415 1.00 52.10 C ATOM 1880 O GLU A 118 2.684 12.541 -4.410 1.00 13.10 O ATOM 1881 CB GLU A 118 5.053 10.529 -3.409 1.00 62.11 C ATOM 1882 CG GLU A 118 5.810 10.063 -2.171 1.00 54.11 C ATOM 1883 CD GLU A 118 7.306 9.946 -2.397 1.00 71.41 C ATOM 1884 OE1 GLU A 118 7.732 9.437 -3.463 1.00 11.11 O ATOM 1885 OE2 GLU A 118 8.095 10.377 -1.522 1.00 13.30 O ATOM 0 H GLU A 118 3.438 8.629 -2.977 1.00 4.15 H new ATOM 0 HA GLU A 118 3.409 11.360 -2.348 1.00 14.11 H new ATOM 0 HB2 GLU A 118 5.219 9.810 -4.211 1.00 62.11 H new ATOM 0 HB3 GLU A 118 5.474 11.479 -3.739 1.00 62.11 H new ATOM 0 HG2 GLU A 118 5.625 10.762 -1.355 1.00 54.11 H new ATOM 0 HG3 GLU A 118 5.419 9.095 -1.856 1.00 54.11 H new ATOM 1892 N GLU A 119 2.557 10.566 -5.411 1.00 44.32 N ATOM 1893 CA GLU A 119 1.986 11.124 -6.610 1.00 35.32 C ATOM 1894 C GLU A 119 0.557 11.521 -6.422 1.00 41.20 C ATOM 1895 O GLU A 119 0.027 12.278 -7.203 1.00 2.12 O ATOM 1896 CB GLU A 119 2.130 10.230 -7.822 1.00 22.41 C ATOM 1897 CG GLU A 119 3.540 10.133 -8.359 1.00 42.14 C ATOM 1898 CD GLU A 119 3.572 9.389 -9.654 1.00 34.42 C ATOM 1899 OE1 GLU A 119 2.806 9.774 -10.572 1.00 15.02 O ATOM 1900 OE2 GLU A 119 4.367 8.442 -9.798 1.00 65.34 O ATOM 0 H GLU A 119 2.652 9.550 -5.410 1.00 44.32 H new ATOM 0 HA GLU A 119 2.571 12.022 -6.808 1.00 35.32 H new ATOM 0 HB2 GLU A 119 1.782 9.230 -7.565 1.00 22.41 H new ATOM 0 HB3 GLU A 119 1.477 10.601 -8.612 1.00 22.41 H new ATOM 0 HG2 GLU A 119 3.948 11.134 -8.501 1.00 42.14 H new ATOM 0 HG3 GLU A 119 4.176 9.630 -7.631 1.00 42.14 H new ATOM 1907 N CYS A 120 -0.067 11.019 -5.408 1.00 72.44 N ATOM 1908 CA CYS A 120 -1.408 11.416 -5.142 1.00 51.51 C ATOM 1909 C CYS A 120 -1.374 12.777 -4.476 1.00 4.31 C ATOM 1910 O CYS A 120 -2.014 13.717 -4.919 1.00 53.52 O ATOM 1911 CB CYS A 120 -2.127 10.377 -4.281 1.00 1.43 C ATOM 1912 SG CYS A 120 -3.911 10.637 -4.128 1.00 20.51 S ATOM 0 H CYS A 120 0.326 10.340 -4.756 1.00 72.44 H new ATOM 0 HA CYS A 120 -1.972 11.485 -6.072 1.00 51.51 H new ATOM 0 HB2 CYS A 120 -1.951 9.388 -4.704 1.00 1.43 H new ATOM 0 HB3 CYS A 120 -1.685 10.380 -3.285 1.00 1.43 H new ATOM 1917 N LEU A 121 -0.529 12.897 -3.477 1.00 53.31 N ATOM 1918 CA LEU A 121 -0.399 14.130 -2.753 1.00 21.35 C ATOM 1919 C LEU A 121 0.250 15.230 -3.606 1.00 43.53 C ATOM 1920 O LEU A 121 -0.140 16.397 -3.528 1.00 2.43 O ATOM 1921 CB LEU A 121 0.367 13.914 -1.432 1.00 30.12 C ATOM 1922 CG LEU A 121 -0.447 13.408 -0.218 1.00 24.43 C ATOM 1923 CD1 LEU A 121 -1.066 12.038 -0.452 1.00 1.13 C ATOM 1924 CD2 LEU A 121 0.417 13.399 1.026 1.00 24.21 C ATOM 0 H LEU A 121 0.080 12.147 -3.150 1.00 53.31 H new ATOM 0 HA LEU A 121 -1.404 14.473 -2.507 1.00 21.35 H new ATOM 0 HB2 LEU A 121 1.171 13.202 -1.620 1.00 30.12 H new ATOM 0 HB3 LEU A 121 0.836 14.858 -1.155 1.00 30.12 H new ATOM 0 HG LEU A 121 -1.275 14.103 -0.077 1.00 24.43 H new ATOM 0 HD11 LEU A 121 -1.625 11.735 0.434 1.00 1.13 H new ATOM 0 HD12 LEU A 121 -1.740 12.084 -1.308 1.00 1.13 H new ATOM 0 HD13 LEU A 121 -0.278 11.312 -0.650 1.00 1.13 H new ATOM 0 HD21 LEU A 121 -0.168 13.041 1.873 1.00 24.21 H new ATOM 0 HD22 LEU A 121 1.271 12.740 0.871 1.00 24.21 H new ATOM 0 HD23 LEU A 121 0.771 14.410 1.231 1.00 24.21 H new ATOM 1936 N ALA A 122 1.210 14.842 -4.435 1.00 74.31 N ATOM 1937 CA ALA A 122 1.952 15.777 -5.260 1.00 65.34 C ATOM 1938 C ALA A 122 1.257 16.137 -6.567 1.00 73.54 C ATOM 1939 O ALA A 122 1.678 17.086 -7.240 1.00 21.33 O ATOM 1940 CB ALA A 122 3.366 15.290 -5.532 1.00 15.14 C ATOM 0 H ALA A 122 1.494 13.869 -4.552 1.00 74.31 H new ATOM 0 HA ALA A 122 1.999 16.693 -4.671 1.00 65.34 H new ATOM 0 HB1 ALA A 122 3.888 16.018 -6.153 1.00 15.14 H new ATOM 0 HB2 ALA A 122 3.897 15.170 -4.588 1.00 15.14 H new ATOM 0 HB3 ALA A 122 3.327 14.332 -6.051 1.00 15.14 H new ATOM 1946 N LYS A 123 0.223 15.398 -6.970 1.00 33.44 N ATOM 1947 CA LYS A 123 -0.472 15.755 -8.207 1.00 11.41 C ATOM 1948 C LYS A 123 -1.352 16.977 -8.001 1.00 63.24 C ATOM 1949 O LYS A 123 -1.832 17.586 -8.963 1.00 12.54 O ATOM 1950 CB LYS A 123 -1.271 14.592 -8.795 1.00 62.35 C ATOM 1951 CG LYS A 123 -0.750 14.059 -10.138 1.00 61.50 C ATOM 1952 CD LYS A 123 0.656 13.463 -10.043 1.00 21.41 C ATOM 1953 CE LYS A 123 1.114 12.931 -11.398 1.00 50.51 C ATOM 1954 NZ LYS A 123 2.461 12.314 -11.353 1.00 74.52 N ATOM 0 H LYS A 123 -0.141 14.580 -6.481 1.00 33.44 H new ATOM 0 HA LYS A 123 0.297 16.001 -8.939 1.00 11.41 H new ATOM 0 HB2 LYS A 123 -1.277 13.774 -8.074 1.00 62.35 H new ATOM 0 HB3 LYS A 123 -2.305 14.910 -8.924 1.00 62.35 H new ATOM 0 HG2 LYS A 123 -1.436 13.298 -10.511 1.00 61.50 H new ATOM 0 HG3 LYS A 123 -0.746 14.870 -10.867 1.00 61.50 H new ATOM 0 HD2 LYS A 123 1.354 14.222 -9.691 1.00 21.41 H new ATOM 0 HD3 LYS A 123 0.665 12.657 -9.309 1.00 21.41 H new ATOM 0 HE2 LYS A 123 0.395 12.194 -11.755 1.00 50.51 H new ATOM 0 HE3 LYS A 123 1.118 13.748 -12.120 1.00 50.51 H new ATOM 0 HZ1 LYS A 123 2.725 11.987 -12.304 1.00 74.52 H new ATOM 0 HZ2 LYS A 123 3.154 13.016 -11.024 1.00 74.52 H new ATOM 0 HZ3 LYS A 123 2.451 11.505 -10.699 1.00 74.52 H new ATOM 1968 N GLY A 124 -1.535 17.326 -6.752 1.00 51.12 N ATOM 1969 CA GLY A 124 -2.316 18.472 -6.395 1.00 30.15 C ATOM 1970 C GLY A 124 -3.778 18.150 -6.396 1.00 12.42 C ATOM 1971 O GLY A 124 -4.186 17.112 -6.893 1.00 55.34 O ATOM 0 H GLY A 124 -1.144 16.820 -5.957 1.00 51.12 H new ATOM 0 HA2 GLY A 124 -2.019 18.825 -5.407 1.00 30.15 H new ATOM 0 HA3 GLY A 124 -2.119 19.283 -7.096 1.00 30.15 H new ATOM 1975 N GLU A 125 -4.577 19.028 -5.883 1.00 1.15 N ATOM 1976 CA GLU A 125 -5.999 18.800 -5.818 1.00 52.33 C ATOM 1977 C GLU A 125 -6.700 19.176 -7.122 1.00 5.10 C ATOM 1978 O GLU A 125 -7.719 19.886 -7.125 1.00 13.54 O ATOM 1979 CB GLU A 125 -6.653 19.457 -4.576 1.00 51.24 C ATOM 1980 CG GLU A 125 -6.336 20.949 -4.319 1.00 41.41 C ATOM 1981 CD GLU A 125 -4.911 21.194 -3.837 1.00 0.40 C ATOM 1982 OE1 GLU A 125 -4.655 21.144 -2.608 1.00 32.45 O ATOM 1983 OE2 GLU A 125 -4.020 21.415 -4.691 1.00 32.44 O ATOM 0 H GLU A 125 -4.273 19.922 -5.497 1.00 1.15 H new ATOM 0 HA GLU A 125 -6.136 17.726 -5.692 1.00 52.33 H new ATOM 0 HB2 GLU A 125 -7.734 19.352 -4.668 1.00 51.24 H new ATOM 0 HB3 GLU A 125 -6.351 18.890 -3.695 1.00 51.24 H new ATOM 0 HG2 GLU A 125 -6.502 21.511 -5.238 1.00 41.41 H new ATOM 0 HG3 GLU A 125 -7.034 21.338 -3.577 1.00 41.41 H new