USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 966 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 99 SER OG : rot 74:sc= -2.77! USER MOD Set 1.2: A 106 THR OG1 : rot -120:sc= -1.48 USER MOD Set 2.1: A 92 THR OG1 : rot -150:sc= -0.394 USER MOD Set 2.2: A 94 GLN : amide:sc= -3.58! K(o=-4!,f=0.65) USER MOD Set 3.1: A 42 THR OG1 : rot 53:sc= -3.3! USER MOD Set 3.2: A 46 SER OG : rot -159:sc= -4.09! USER MOD Set 4.1: A 26 TYR OH : rot 45:sc= -0.173! USER MOD Set 4.2: A 41 ASN : amide:sc= -6.01! C(o=-6.2!,f=-13!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc=-0.00792 (180deg=-0.283) USER MOD Single : A 2 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.02) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 102:sc= -15.8! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -169:sc= -0.484 USER MOD Single : A 76 GLN : amide:sc= -6.19! C(o=-6.2!,f=-6.3!) USER MOD Single : A 77 GLN : amide:sc= -0.529 K(o=-0.53,f=-6.2!) USER MOD Single : A 82 ASN : amide:sc= -10! C(o=-10!,f=-10!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -150:sc= -5.7! USER MOD Single : A 85 MET CE :methyl 157:sc= -9.97! (180deg=-12.9!) USER MOD Single : A 89 SER OG : rot 69:sc= 1.05 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -1.36 K(o=-1.4,f=-7.9!) USER MOD Single : A 96 TYR OH : rot 180:sc=-0.00172 USER MOD Single : A 98 SER OG : rot -57:sc= -0.724 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 54:sc= 1.14 USER MOD Single : A 112 TYR OH : rot 60:sc= -1.11 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ -162:sc=-0.00721 (180deg=-0.453) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.122 -19.159 -19.706 1.00 0.00 N ATOM 2 CA MET A 1 -16.182 -19.835 -18.767 1.00 0.00 C ATOM 3 C MET A 1 -15.934 -18.933 -17.557 1.00 0.00 C ATOM 4 O MET A 1 -15.783 -17.733 -17.685 1.00 0.00 O ATOM 5 CB MET A 1 -14.856 -20.106 -19.482 1.00 0.00 C ATOM 6 CG MET A 1 -15.061 -21.187 -20.544 1.00 0.00 C ATOM 7 SD MET A 1 -13.497 -21.496 -21.400 1.00 0.00 S ATOM 8 CE MET A 1 -14.167 -22.504 -22.744 1.00 0.00 C ATOM 0 H1 MET A 1 -17.515 -19.859 -20.367 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.895 -18.719 -19.167 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.612 -18.426 -20.240 1.00 0.00 H new ATOM 0 HA MET A 1 -16.615 -20.778 -18.434 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.487 -19.191 -19.946 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.102 -20.426 -18.763 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.421 -22.105 -20.079 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.822 -20.871 -21.257 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.358 -22.811 -23.407 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.651 -23.388 -22.329 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.896 -21.922 -23.307 1.00 0.00 H new ATOM 20 N ASN A 2 -15.892 -19.500 -16.382 1.00 0.00 N ATOM 21 CA ASN A 2 -15.653 -18.674 -15.165 1.00 0.00 C ATOM 22 C ASN A 2 -14.469 -19.247 -14.384 1.00 0.00 C ATOM 23 O ASN A 2 -14.523 -19.400 -13.179 1.00 0.00 O ATOM 24 CB ASN A 2 -16.904 -18.693 -14.284 1.00 0.00 C ATOM 25 CG ASN A 2 -17.202 -17.276 -13.789 1.00 0.00 C ATOM 26 OD1 ASN A 2 -17.296 -17.043 -12.600 1.00 0.00 O ATOM 27 ND2 ASN A 2 -17.356 -16.315 -14.656 1.00 0.00 N ATOM 0 H ASN A 2 -16.013 -20.499 -16.213 1.00 0.00 H new ATOM 0 HA ASN A 2 -15.431 -17.648 -15.459 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -17.753 -19.078 -14.848 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -16.755 -19.362 -13.436 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -17.555 -15.367 -14.337 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -17.277 -16.511 -15.654 1.00 0.00 H new ATOM 34 N GLY A 3 -13.399 -19.566 -15.060 1.00 0.00 N ATOM 35 CA GLY A 3 -12.213 -20.128 -14.353 1.00 0.00 C ATOM 36 C GLY A 3 -11.783 -19.176 -13.236 1.00 0.00 C ATOM 37 O GLY A 3 -12.132 -19.355 -12.087 1.00 0.00 O ATOM 0 H GLY A 3 -13.295 -19.462 -16.069 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.454 -21.106 -13.938 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -11.393 -20.274 -15.056 1.00 0.00 H new ATOM 41 N GLU A 4 -11.028 -18.164 -13.565 1.00 0.00 N ATOM 42 CA GLU A 4 -10.577 -17.201 -12.520 1.00 0.00 C ATOM 43 C GLU A 4 -10.237 -15.861 -13.176 1.00 0.00 C ATOM 44 O GLU A 4 -9.224 -15.718 -13.830 1.00 0.00 O ATOM 45 CB GLU A 4 -9.334 -17.755 -11.819 1.00 0.00 C ATOM 46 CG GLU A 4 -8.275 -18.114 -12.863 1.00 0.00 C ATOM 47 CD GLU A 4 -7.284 -19.112 -12.262 1.00 0.00 C ATOM 48 OE1 GLU A 4 -7.611 -19.705 -11.248 1.00 0.00 O ATOM 49 OE2 GLU A 4 -6.213 -19.266 -12.827 1.00 0.00 O ATOM 0 H GLU A 4 -10.704 -17.962 -14.511 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.373 -17.057 -11.789 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.937 -17.017 -11.122 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.596 -18.636 -11.234 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.750 -18.543 -13.745 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.751 -17.216 -13.188 1.00 0.00 H new ATOM 56 N VAL A 5 -11.077 -14.877 -13.004 1.00 0.00 N ATOM 57 CA VAL A 5 -10.801 -13.547 -13.617 1.00 0.00 C ATOM 58 C VAL A 5 -11.243 -12.441 -12.658 1.00 0.00 C ATOM 59 O VAL A 5 -12.219 -11.756 -12.892 1.00 0.00 O ATOM 60 CB VAL A 5 -11.574 -13.422 -14.931 1.00 0.00 C ATOM 61 CG1 VAL A 5 -11.330 -12.039 -15.537 1.00 0.00 C ATOM 62 CG2 VAL A 5 -11.095 -14.498 -15.907 1.00 0.00 C ATOM 0 H VAL A 5 -11.942 -14.937 -12.466 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.733 -13.452 -13.813 1.00 0.00 H new ATOM 0 HB VAL A 5 -12.639 -13.552 -14.740 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -11.881 -11.950 -16.473 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.670 -11.272 -14.841 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.265 -11.908 -15.729 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.645 -14.410 -16.844 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.030 -14.368 -16.098 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -11.268 -15.484 -15.476 1.00 0.00 H new ATOM 72 N ALA A 6 -10.534 -12.262 -11.577 1.00 0.00 N ATOM 73 CA ALA A 6 -10.915 -11.200 -10.603 1.00 0.00 C ATOM 74 C ALA A 6 -12.194 -11.616 -9.867 1.00 0.00 C ATOM 75 O ALA A 6 -13.255 -11.082 -10.123 1.00 0.00 O ATOM 76 CB ALA A 6 -11.162 -9.887 -11.350 1.00 0.00 C ATOM 0 H ALA A 6 -9.708 -12.805 -11.326 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.109 -11.063 -9.882 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.441 -9.110 -10.638 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.253 -9.590 -11.874 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.968 -10.025 -12.071 1.00 0.00 H new ATOM 82 N PRO A 7 -12.050 -12.560 -8.970 1.00 0.00 N ATOM 83 CA PRO A 7 -13.173 -13.059 -8.191 1.00 0.00 C ATOM 84 C PRO A 7 -13.943 -11.891 -7.562 1.00 0.00 C ATOM 85 O PRO A 7 -13.485 -10.766 -7.589 1.00 0.00 O ATOM 86 CB PRO A 7 -12.533 -13.927 -7.112 1.00 0.00 C ATOM 87 CG PRO A 7 -11.178 -14.364 -7.752 1.00 0.00 C ATOM 88 CD PRO A 7 -10.753 -13.189 -8.679 1.00 0.00 C ATOM 0 HA PRO A 7 -13.889 -13.615 -8.796 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.379 -13.370 -6.188 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -13.157 -14.787 -6.866 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -10.425 -14.551 -6.986 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.292 -15.288 -8.318 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.067 -12.503 -8.183 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.255 -13.539 -9.583 1.00 0.00 H new ATOM 96 N PRO A 8 -15.093 -12.197 -7.014 1.00 0.00 N ATOM 97 CA PRO A 8 -15.934 -11.193 -6.378 1.00 0.00 C ATOM 98 C PRO A 8 -15.304 -10.731 -5.061 1.00 0.00 C ATOM 99 O PRO A 8 -14.228 -11.158 -4.693 1.00 0.00 O ATOM 100 CB PRO A 8 -17.256 -11.910 -6.123 1.00 0.00 C ATOM 101 CG PRO A 8 -16.846 -13.414 -6.043 1.00 0.00 C ATOM 102 CD PRO A 8 -15.626 -13.567 -6.995 1.00 0.00 C ATOM 0 HA PRO A 8 -16.061 -10.301 -6.992 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -17.724 -11.572 -5.198 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -17.971 -11.731 -6.926 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -16.585 -13.695 -5.023 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -17.667 -14.061 -6.351 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -14.898 -14.285 -6.616 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -15.921 -13.906 -7.988 1.00 0.00 H new ATOM 110 N LYS A 9 -15.965 -9.858 -4.349 1.00 0.00 N ATOM 111 CA LYS A 9 -15.401 -9.370 -3.060 1.00 0.00 C ATOM 112 C LYS A 9 -13.997 -8.810 -3.300 1.00 0.00 C ATOM 113 O LYS A 9 -13.045 -9.545 -3.466 1.00 0.00 O ATOM 114 CB LYS A 9 -15.324 -10.529 -2.063 1.00 0.00 C ATOM 115 CG LYS A 9 -16.446 -10.390 -1.032 1.00 0.00 C ATOM 116 CD LYS A 9 -16.123 -9.236 -0.079 1.00 0.00 C ATOM 117 CE LYS A 9 -17.422 -8.563 0.366 1.00 0.00 C ATOM 118 NZ LYS A 9 -17.510 -8.588 1.853 1.00 0.00 N ATOM 0 H LYS A 9 -16.870 -9.463 -4.605 1.00 0.00 H new ATOM 0 HA LYS A 9 -16.042 -8.587 -2.656 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -15.413 -11.480 -2.587 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.355 -10.530 -1.564 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -17.396 -10.206 -1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -16.557 -11.318 -0.472 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.578 -9.608 0.789 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.477 -8.511 -0.574 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -17.453 -7.534 0.006 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -18.279 -9.078 -0.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -18.393 -8.130 2.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -17.499 -9.574 2.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -16.699 -8.077 2.257 1.00 0.00 H new ATOM 132 N GLU A 10 -13.863 -7.512 -3.323 1.00 0.00 N ATOM 133 CA GLU A 10 -12.521 -6.906 -3.555 1.00 0.00 C ATOM 134 C GLU A 10 -11.959 -6.384 -2.232 1.00 0.00 C ATOM 135 O GLU A 10 -12.027 -5.207 -1.940 1.00 0.00 O ATOM 136 CB GLU A 10 -12.651 -5.745 -4.544 1.00 0.00 C ATOM 137 CG GLU A 10 -12.669 -6.290 -5.973 1.00 0.00 C ATOM 138 CD GLU A 10 -11.236 -6.541 -6.443 1.00 0.00 C ATOM 139 OE1 GLU A 10 -10.458 -7.058 -5.659 1.00 0.00 O ATOM 140 OE2 GLU A 10 -10.939 -6.210 -7.580 1.00 0.00 O ATOM 0 H GLU A 10 -14.624 -6.846 -3.191 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.849 -7.661 -3.963 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.565 -5.185 -4.346 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.819 -5.052 -4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.243 -7.216 -6.013 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.162 -5.580 -6.638 1.00 0.00 H new ATOM 147 N ASP A 11 -11.398 -7.247 -1.430 1.00 0.00 N ATOM 148 CA ASP A 11 -10.830 -6.791 -0.132 1.00 0.00 C ATOM 149 C ASP A 11 -9.408 -7.337 0.022 1.00 0.00 C ATOM 150 O ASP A 11 -9.141 -8.134 0.900 1.00 0.00 O ATOM 151 CB ASP A 11 -11.704 -7.297 1.018 1.00 0.00 C ATOM 152 CG ASP A 11 -12.887 -6.347 1.216 1.00 0.00 C ATOM 153 OD1 ASP A 11 -12.984 -5.389 0.467 1.00 0.00 O ATOM 154 OD2 ASP A 11 -13.676 -6.594 2.113 1.00 0.00 O ATOM 0 H ASP A 11 -11.309 -8.246 -1.618 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.804 -5.702 -0.110 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.064 -8.303 0.800 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.117 -7.360 1.934 1.00 0.00 H new ATOM 159 N PRO A 12 -8.538 -6.889 -0.847 1.00 0.00 N ATOM 160 CA PRO A 12 -7.148 -7.313 -0.838 1.00 0.00 C ATOM 161 C PRO A 12 -6.380 -6.574 0.265 1.00 0.00 C ATOM 162 O PRO A 12 -6.340 -7.003 1.401 1.00 0.00 O ATOM 163 CB PRO A 12 -6.628 -6.921 -2.215 1.00 0.00 C ATOM 164 CG PRO A 12 -7.540 -5.721 -2.631 1.00 0.00 C ATOM 165 CD PRO A 12 -8.898 -5.927 -1.898 1.00 0.00 C ATOM 0 HA PRO A 12 -7.030 -8.378 -0.641 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.578 -6.631 -2.178 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.706 -7.747 -2.922 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -7.086 -4.771 -2.348 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.681 -5.697 -3.712 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.283 -4.995 -1.483 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.666 -6.320 -2.565 1.00 0.00 H new ATOM 173 N VAL A 13 -5.777 -5.463 -0.062 1.00 0.00 N ATOM 174 CA VAL A 13 -5.020 -4.691 0.963 1.00 0.00 C ATOM 175 C VAL A 13 -5.316 -3.200 0.775 1.00 0.00 C ATOM 176 O VAL A 13 -4.438 -2.432 0.435 1.00 0.00 O ATOM 177 CB VAL A 13 -3.521 -4.942 0.790 1.00 0.00 C ATOM 178 CG1 VAL A 13 -2.734 -3.938 1.634 1.00 0.00 C ATOM 179 CG2 VAL A 13 -3.189 -6.364 1.250 1.00 0.00 C ATOM 0 H VAL A 13 -5.776 -5.056 -0.997 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.321 -5.006 1.962 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.251 -4.824 -0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.666 -4.117 1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.972 -2.925 1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.003 -4.056 2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.121 -6.546 1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.459 -6.479 2.300 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.750 -7.081 0.650 1.00 0.00 H new ATOM 189 N PRO A 14 -6.556 -2.841 0.994 1.00 0.00 N ATOM 190 CA PRO A 14 -7.000 -1.463 0.846 1.00 0.00 C ATOM 191 C PRO A 14 -6.064 -0.507 1.591 1.00 0.00 C ATOM 192 O PRO A 14 -5.727 -0.726 2.738 1.00 0.00 O ATOM 193 CB PRO A 14 -8.391 -1.444 1.472 1.00 0.00 C ATOM 194 CG PRO A 14 -8.880 -2.918 1.319 1.00 0.00 C ATOM 195 CD PRO A 14 -7.599 -3.794 1.408 1.00 0.00 C ATOM 0 HA PRO A 14 -7.005 -1.140 -0.195 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.356 -1.139 2.518 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.053 -0.746 0.959 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.589 -3.179 2.104 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.390 -3.065 0.367 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.431 -4.172 2.416 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.648 -4.659 0.747 1.00 0.00 H new ATOM 203 N LEU A 15 -5.654 0.567 0.960 1.00 0.00 N ATOM 204 CA LEU A 15 -4.762 1.533 1.659 1.00 0.00 C ATOM 205 C LEU A 15 -5.417 2.924 1.711 1.00 0.00 C ATOM 206 O LEU A 15 -4.783 3.909 1.394 1.00 0.00 O ATOM 207 CB LEU A 15 -3.421 1.632 0.926 1.00 0.00 C ATOM 208 CG LEU A 15 -2.807 0.237 0.791 1.00 0.00 C ATOM 209 CD1 LEU A 15 -2.386 0.000 -0.661 1.00 0.00 C ATOM 210 CD2 LEU A 15 -1.580 0.134 1.697 1.00 0.00 C ATOM 0 H LEU A 15 -5.898 0.811 0.000 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.596 1.177 2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.565 2.074 -0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.743 2.288 1.473 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.543 -0.513 1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.949 -0.994 -0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.259 0.076 -1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.650 0.749 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.141 -0.859 1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.847 0.885 1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.877 0.303 2.732 1.00 0.00 H new ATOM 222 N PRO A 16 -6.665 2.965 2.133 1.00 0.00 N ATOM 223 CA PRO A 16 -7.411 4.208 2.265 1.00 0.00 C ATOM 224 C PRO A 16 -6.524 5.360 2.763 1.00 0.00 C ATOM 225 O PRO A 16 -6.825 6.515 2.538 1.00 0.00 O ATOM 226 CB PRO A 16 -8.497 3.886 3.280 1.00 0.00 C ATOM 227 CG PRO A 16 -8.716 2.345 3.129 1.00 0.00 C ATOM 228 CD PRO A 16 -7.414 1.760 2.499 1.00 0.00 C ATOM 0 HA PRO A 16 -7.810 4.544 1.308 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.187 4.147 4.292 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.412 4.441 3.074 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.915 1.887 4.098 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.578 2.138 2.495 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.864 1.141 3.208 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.629 1.137 1.631 1.00 0.00 H new ATOM 236 N GLU A 17 -5.437 5.071 3.431 1.00 0.00 N ATOM 237 CA GLU A 17 -4.554 6.170 3.925 1.00 0.00 C ATOM 238 C GLU A 17 -3.718 6.749 2.771 1.00 0.00 C ATOM 239 O GLU A 17 -2.726 7.416 2.992 1.00 0.00 O ATOM 240 CB GLU A 17 -3.616 5.621 5.002 1.00 0.00 C ATOM 241 CG GLU A 17 -3.243 6.741 5.975 1.00 0.00 C ATOM 242 CD GLU A 17 -2.491 6.153 7.169 1.00 0.00 C ATOM 243 OE1 GLU A 17 -1.301 5.915 7.036 1.00 0.00 O ATOM 244 OE2 GLU A 17 -3.116 5.948 8.196 1.00 0.00 O ATOM 0 H GLU A 17 -5.124 4.127 3.655 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.177 6.962 4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.100 4.805 5.539 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.717 5.211 4.541 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.623 7.483 5.471 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.142 7.255 6.316 1.00 0.00 H new ATOM 251 N LEU A 18 -4.109 6.509 1.547 1.00 0.00 N ATOM 252 CA LEU A 18 -3.344 7.050 0.390 1.00 0.00 C ATOM 253 C LEU A 18 -4.336 7.401 -0.725 1.00 0.00 C ATOM 254 O LEU A 18 -4.690 6.557 -1.523 1.00 0.00 O ATOM 255 CB LEU A 18 -2.363 5.988 -0.111 1.00 0.00 C ATOM 256 CG LEU A 18 -1.059 6.661 -0.543 1.00 0.00 C ATOM 257 CD1 LEU A 18 0.098 6.127 0.304 1.00 0.00 C ATOM 258 CD2 LEU A 18 -0.795 6.350 -2.017 1.00 0.00 C ATOM 0 H LEU A 18 -4.931 5.958 1.300 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.787 7.938 0.688 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.166 5.260 0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.798 5.442 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.142 7.739 -0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.027 6.607 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.091 6.344 1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.183 5.049 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.134 6.828 -2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.711 5.272 -2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.619 6.729 -2.622 1.00 0.00 H new ATOM 270 N PRO A 19 -4.766 8.639 -0.737 1.00 0.00 N ATOM 271 CA PRO A 19 -5.725 9.113 -1.723 1.00 0.00 C ATOM 272 C PRO A 19 -5.316 8.681 -3.134 1.00 0.00 C ATOM 273 O PRO A 19 -4.157 8.455 -3.417 1.00 0.00 O ATOM 274 CB PRO A 19 -5.690 10.630 -1.588 1.00 0.00 C ATOM 275 CG PRO A 19 -5.232 10.854 -0.113 1.00 0.00 C ATOM 276 CD PRO A 19 -4.317 9.645 0.237 1.00 0.00 C ATOM 0 HA PRO A 19 -6.723 8.705 -1.560 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.995 11.080 -2.297 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.668 11.072 -1.776 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.692 11.795 -0.010 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.089 10.903 0.559 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.260 9.884 0.120 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.456 9.310 1.265 1.00 0.00 H new ATOM 284 N CYS A 20 -6.270 8.564 -4.019 1.00 0.00 N ATOM 285 CA CYS A 20 -5.954 8.145 -5.413 1.00 0.00 C ATOM 286 C CYS A 20 -6.014 9.361 -6.341 1.00 0.00 C ATOM 287 O CYS A 20 -5.002 9.931 -6.698 1.00 0.00 O ATOM 288 CB CYS A 20 -6.979 7.105 -5.871 1.00 0.00 C ATOM 289 SG CYS A 20 -6.122 5.595 -6.381 1.00 0.00 S ATOM 0 H CYS A 20 -7.257 8.741 -3.834 1.00 0.00 H new ATOM 0 HA CYS A 20 -4.953 7.715 -5.446 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.675 6.885 -5.062 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.567 7.499 -6.700 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.220 4.702 -5.442 1.00 0.00 H new ATOM 295 N GLU A 21 -7.192 9.762 -6.734 1.00 0.00 N ATOM 296 CA GLU A 21 -7.316 10.940 -7.638 1.00 0.00 C ATOM 297 C GLU A 21 -7.662 12.181 -6.815 1.00 0.00 C ATOM 298 O GLU A 21 -8.452 13.009 -7.223 1.00 0.00 O ATOM 299 CB GLU A 21 -8.426 10.683 -8.661 1.00 0.00 C ATOM 300 CG GLU A 21 -8.392 11.773 -9.734 1.00 0.00 C ATOM 301 CD GLU A 21 -9.774 11.901 -10.378 1.00 0.00 C ATOM 302 OE1 GLU A 21 -10.445 10.889 -10.496 1.00 0.00 O ATOM 303 OE2 GLU A 21 -10.137 13.007 -10.741 1.00 0.00 O ATOM 0 H GLU A 21 -8.074 9.325 -6.468 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.371 11.100 -8.157 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.294 9.703 -9.119 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.397 10.675 -8.166 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.096 12.724 -9.291 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.648 11.529 -10.492 1.00 0.00 H new ATOM 310 N LYS A 22 -7.076 12.318 -5.656 1.00 0.00 N ATOM 311 CA LYS A 22 -7.372 13.506 -4.808 1.00 0.00 C ATOM 312 C LYS A 22 -8.877 13.579 -4.545 1.00 0.00 C ATOM 313 O LYS A 22 -9.404 14.607 -4.170 1.00 0.00 O ATOM 314 CB LYS A 22 -6.920 14.776 -5.532 1.00 0.00 C ATOM 315 CG LYS A 22 -6.884 15.942 -4.543 1.00 0.00 C ATOM 316 CD LYS A 22 -5.735 15.738 -3.554 1.00 0.00 C ATOM 317 CE LYS A 22 -4.738 16.890 -3.686 1.00 0.00 C ATOM 318 NZ LYS A 22 -3.758 16.830 -2.565 1.00 0.00 N ATOM 0 H LYS A 22 -6.406 11.658 -5.261 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.839 13.419 -3.861 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.933 14.626 -5.970 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.602 15.002 -6.352 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.754 16.883 -5.078 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.831 16.008 -4.008 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.121 15.692 -2.536 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.237 14.788 -3.749 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.218 16.827 -4.642 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.265 17.844 -3.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.080 17.613 -2.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.262 16.910 -1.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.247 15.925 -2.598 1.00 0.00 H new ATOM 332 N SER A 23 -9.573 12.492 -4.738 1.00 0.00 N ATOM 333 CA SER A 23 -11.044 12.498 -4.497 1.00 0.00 C ATOM 334 C SER A 23 -11.375 11.543 -3.350 1.00 0.00 C ATOM 335 O SER A 23 -10.551 11.272 -2.499 1.00 0.00 O ATOM 336 CB SER A 23 -11.769 12.043 -5.765 1.00 0.00 C ATOM 337 OG SER A 23 -12.818 12.956 -6.058 1.00 0.00 O ATOM 0 H SER A 23 -9.187 11.601 -5.052 1.00 0.00 H new ATOM 0 HA SER A 23 -11.367 13.506 -4.236 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.070 11.994 -6.600 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.172 11.040 -5.627 1.00 0.00 H new ATOM 0 HG SER A 23 -13.284 12.669 -6.871 1.00 0.00 H new ATOM 343 N ASP A 24 -12.571 11.025 -3.323 1.00 0.00 N ATOM 344 CA ASP A 24 -12.947 10.082 -2.233 1.00 0.00 C ATOM 345 C ASP A 24 -12.348 8.707 -2.531 1.00 0.00 C ATOM 346 O ASP A 24 -12.544 7.761 -1.795 1.00 0.00 O ATOM 347 CB ASP A 24 -14.471 9.970 -2.155 1.00 0.00 C ATOM 348 CG ASP A 24 -14.900 9.847 -0.692 1.00 0.00 C ATOM 349 OD1 ASP A 24 -14.191 9.199 0.060 1.00 0.00 O ATOM 350 OD2 ASP A 24 -15.930 10.402 -0.349 1.00 0.00 O ATOM 0 H ASP A 24 -13.304 11.213 -4.007 1.00 0.00 H new ATOM 0 HA ASP A 24 -12.565 10.451 -1.281 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.934 10.846 -2.608 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.812 9.102 -2.719 1.00 0.00 H new ATOM 355 N ALA A 25 -11.618 8.590 -3.608 1.00 0.00 N ATOM 356 CA ALA A 25 -11.009 7.278 -3.954 1.00 0.00 C ATOM 357 C ALA A 25 -9.668 7.135 -3.232 1.00 0.00 C ATOM 358 O ALA A 25 -9.012 8.109 -2.922 1.00 0.00 O ATOM 359 CB ALA A 25 -10.783 7.209 -5.466 1.00 0.00 C ATOM 0 H ALA A 25 -11.419 9.347 -4.261 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.675 6.472 -3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.337 6.249 -5.724 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.737 7.316 -5.982 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.114 8.014 -5.771 1.00 0.00 H new ATOM 365 N TYR A 26 -9.255 5.928 -2.964 1.00 0.00 N ATOM 366 CA TYR A 26 -7.956 5.723 -2.266 1.00 0.00 C ATOM 367 C TYR A 26 -7.112 4.724 -3.061 1.00 0.00 C ATOM 368 O TYR A 26 -7.400 4.432 -4.204 1.00 0.00 O ATOM 369 CB TYR A 26 -8.207 5.187 -0.854 1.00 0.00 C ATOM 370 CG TYR A 26 -9.468 4.354 -0.835 1.00 0.00 C ATOM 371 CD1 TYR A 26 -10.719 4.974 -0.945 1.00 0.00 C ATOM 372 CD2 TYR A 26 -9.386 2.963 -0.698 1.00 0.00 C ATOM 373 CE1 TYR A 26 -11.886 4.202 -0.921 1.00 0.00 C ATOM 374 CE2 TYR A 26 -10.554 2.192 -0.674 1.00 0.00 C ATOM 375 CZ TYR A 26 -11.804 2.811 -0.786 1.00 0.00 C ATOM 376 OH TYR A 26 -12.955 2.051 -0.761 1.00 0.00 O ATOM 0 H TYR A 26 -9.761 5.074 -3.198 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.424 6.672 -2.194 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.359 4.585 -0.528 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.298 6.016 -0.152 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.783 6.047 -1.048 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.422 2.485 -0.611 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.851 4.680 -1.007 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -10.490 1.119 -0.569 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.564 2.356 -1.465 1.00 0.00 H new ATOM 386 N PHE A 27 -6.067 4.204 -2.476 1.00 0.00 N ATOM 387 CA PHE A 27 -5.214 3.238 -3.221 1.00 0.00 C ATOM 388 C PHE A 27 -5.336 1.837 -2.612 1.00 0.00 C ATOM 389 O PHE A 27 -4.568 1.449 -1.756 1.00 0.00 O ATOM 390 CB PHE A 27 -3.756 3.694 -3.159 1.00 0.00 C ATOM 391 CG PHE A 27 -3.340 4.212 -4.515 1.00 0.00 C ATOM 392 CD1 PHE A 27 -3.689 3.504 -5.671 1.00 0.00 C ATOM 393 CD2 PHE A 27 -2.610 5.402 -4.616 1.00 0.00 C ATOM 394 CE1 PHE A 27 -3.306 3.984 -6.928 1.00 0.00 C ATOM 395 CE2 PHE A 27 -2.226 5.882 -5.874 1.00 0.00 C ATOM 396 CZ PHE A 27 -2.574 5.172 -7.030 1.00 0.00 C ATOM 0 H PHE A 27 -5.770 4.405 -1.521 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.547 3.202 -4.258 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.638 4.474 -2.407 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.115 2.864 -2.861 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.254 2.587 -5.592 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.343 5.950 -3.724 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.575 3.437 -7.820 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.662 6.799 -5.953 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.277 5.542 -8.000 1.00 0.00 H new ATOM 406 N VAL A 28 -6.291 1.071 -3.055 1.00 0.00 N ATOM 407 CA VAL A 28 -6.451 -0.305 -2.516 1.00 0.00 C ATOM 408 C VAL A 28 -5.506 -1.250 -3.262 1.00 0.00 C ATOM 409 O VAL A 28 -5.665 -1.497 -4.442 1.00 0.00 O ATOM 410 CB VAL A 28 -7.897 -0.765 -2.709 1.00 0.00 C ATOM 411 CG1 VAL A 28 -8.010 -2.260 -2.402 1.00 0.00 C ATOM 412 CG2 VAL A 28 -8.811 0.018 -1.766 1.00 0.00 C ATOM 0 H VAL A 28 -6.969 1.339 -3.768 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.211 -0.313 -1.453 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.197 -0.585 -3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.042 -2.583 -2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.361 -2.820 -3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.708 -2.444 -1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.842 -0.309 -1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.508 -0.160 -0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.736 1.083 -1.987 1.00 0.00 H new ATOM 422 N LEU A 29 -4.520 -1.774 -2.587 1.00 0.00 N ATOM 423 CA LEU A 29 -3.562 -2.696 -3.262 1.00 0.00 C ATOM 424 C LEU A 29 -4.295 -3.960 -3.713 1.00 0.00 C ATOM 425 O LEU A 29 -5.123 -4.497 -3.005 1.00 0.00 O ATOM 426 CB LEU A 29 -2.441 -3.074 -2.290 1.00 0.00 C ATOM 427 CG LEU A 29 -1.637 -4.246 -2.861 1.00 0.00 C ATOM 428 CD1 LEU A 29 -0.177 -3.829 -3.038 1.00 0.00 C ATOM 429 CD2 LEU A 29 -1.712 -5.433 -1.898 1.00 0.00 C ATOM 0 H LEU A 29 -4.336 -1.604 -1.598 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.135 -2.197 -4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.787 -2.218 -2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.862 -3.346 -1.322 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.053 -4.532 -3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.393 -4.664 -3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.121 -2.984 -3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.239 -3.541 -2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.140 -6.267 -2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.297 -5.145 -0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.752 -5.734 -1.771 1.00 0.00 H new ATOM 441 N ARG A 30 -3.988 -4.440 -4.886 1.00 0.00 N ATOM 442 CA ARG A 30 -4.656 -5.671 -5.389 1.00 0.00 C ATOM 443 C ARG A 30 -3.599 -6.613 -5.966 1.00 0.00 C ATOM 444 O ARG A 30 -2.414 -6.414 -5.787 1.00 0.00 O ATOM 445 CB ARG A 30 -5.660 -5.298 -6.481 1.00 0.00 C ATOM 446 CG ARG A 30 -7.084 -5.482 -5.950 1.00 0.00 C ATOM 447 CD ARG A 30 -8.071 -5.458 -7.117 1.00 0.00 C ATOM 448 NE ARG A 30 -7.558 -6.319 -8.220 1.00 0.00 N ATOM 449 CZ ARG A 30 -8.128 -7.465 -8.472 1.00 0.00 C ATOM 450 NH1 ARG A 30 -9.304 -7.498 -9.038 1.00 0.00 N ATOM 451 NH2 ARG A 30 -7.523 -8.578 -8.160 1.00 0.00 N ATOM 0 H ARG A 30 -3.301 -4.031 -5.519 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.181 -6.165 -4.571 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.507 -4.265 -6.793 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.505 -5.922 -7.361 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.164 -6.427 -5.412 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.324 -4.690 -5.241 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.048 -5.813 -6.788 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.206 -4.436 -7.472 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.761 -6.012 -8.778 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.777 -6.628 -9.283 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.750 -8.394 -9.235 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.604 -8.552 -7.719 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.969 -9.474 -8.357 1.00 0.00 H new ATOM 465 N ASP A 31 -4.014 -7.634 -6.661 1.00 0.00 N ATOM 466 CA ASP A 31 -3.028 -8.583 -7.249 1.00 0.00 C ATOM 467 C ASP A 31 -3.569 -9.124 -8.573 1.00 0.00 C ATOM 468 O ASP A 31 -4.447 -9.963 -8.599 1.00 0.00 O ATOM 469 CB ASP A 31 -2.793 -9.744 -6.280 1.00 0.00 C ATOM 470 CG ASP A 31 -1.376 -9.660 -5.714 1.00 0.00 C ATOM 471 OD1 ASP A 31 -0.442 -9.698 -6.499 1.00 0.00 O ATOM 472 OD2 ASP A 31 -1.246 -9.558 -4.504 1.00 0.00 O ATOM 0 H ASP A 31 -4.993 -7.853 -6.848 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.086 -8.064 -7.426 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.522 -9.708 -5.470 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.934 -10.695 -6.794 1.00 0.00 H new ATOM 477 N GLY A 32 -3.053 -8.650 -9.673 1.00 0.00 N ATOM 478 CA GLY A 32 -3.540 -9.138 -10.994 1.00 0.00 C ATOM 479 C GLY A 32 -3.205 -8.109 -12.075 1.00 0.00 C ATOM 480 O GLY A 32 -4.078 -7.492 -12.653 1.00 0.00 O ATOM 0 H GLY A 32 -2.316 -7.946 -9.715 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.077 -10.095 -11.233 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.617 -9.305 -10.957 1.00 0.00 H new ATOM 484 N ALA A 33 -1.944 -7.919 -12.353 1.00 0.00 N ATOM 485 CA ALA A 33 -1.549 -6.930 -13.394 1.00 0.00 C ATOM 486 C ALA A 33 -0.024 -6.847 -13.458 1.00 0.00 C ATOM 487 O ALA A 33 0.564 -5.819 -13.188 1.00 0.00 O ATOM 488 CB ALA A 33 -2.120 -5.557 -13.039 1.00 0.00 C ATOM 0 H ALA A 33 -1.170 -8.407 -11.903 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.940 -7.244 -14.362 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.830 -4.834 -13.802 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.207 -5.617 -12.990 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.730 -5.240 -12.072 1.00 0.00 H new ATOM 494 N ALA A 34 0.624 -7.925 -13.807 1.00 0.00 N ATOM 495 CA ALA A 34 2.111 -7.910 -13.881 1.00 0.00 C ATOM 496 C ALA A 34 2.685 -7.839 -12.466 1.00 0.00 C ATOM 497 O ALA A 34 3.800 -7.402 -12.257 1.00 0.00 O ATOM 498 CB ALA A 34 2.571 -6.690 -14.682 1.00 0.00 C ATOM 0 H ALA A 34 0.187 -8.816 -14.044 1.00 0.00 H new ATOM 0 HA ALA A 34 2.462 -8.817 -14.373 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.660 -6.679 -14.736 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.158 -6.740 -15.690 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.223 -5.781 -14.192 1.00 0.00 H new ATOM 504 N GLY A 35 1.930 -8.264 -11.489 1.00 0.00 N ATOM 505 CA GLY A 35 2.431 -8.219 -10.087 1.00 0.00 C ATOM 506 C GLY A 35 1.510 -7.337 -9.243 1.00 0.00 C ATOM 507 O GLY A 35 0.927 -6.388 -9.729 1.00 0.00 O ATOM 0 H GLY A 35 0.989 -8.640 -11.602 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.469 -9.226 -9.671 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.448 -7.826 -10.066 1.00 0.00 H new ATOM 511 N VAL A 36 1.374 -7.642 -7.981 1.00 0.00 N ATOM 512 CA VAL A 36 0.492 -6.819 -7.106 1.00 0.00 C ATOM 513 C VAL A 36 0.744 -5.334 -7.388 1.00 0.00 C ATOM 514 O VAL A 36 1.699 -4.970 -8.047 1.00 0.00 O ATOM 515 CB VAL A 36 0.796 -7.144 -5.637 1.00 0.00 C ATOM 516 CG1 VAL A 36 2.287 -7.432 -5.479 1.00 0.00 C ATOM 517 CG2 VAL A 36 0.408 -5.966 -4.737 1.00 0.00 C ATOM 0 H VAL A 36 1.835 -8.425 -7.519 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.555 -7.044 -7.310 1.00 0.00 H new ATOM 0 HB VAL A 36 0.216 -8.019 -5.343 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.504 -7.663 -4.436 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.562 -8.282 -6.104 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.861 -6.557 -5.784 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.630 -6.213 -3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.976 -5.082 -5.029 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.658 -5.764 -4.842 1.00 0.00 H new ATOM 527 N PHE A 37 -0.108 -4.476 -6.899 1.00 0.00 N ATOM 528 CA PHE A 37 0.079 -3.019 -7.142 1.00 0.00 C ATOM 529 C PHE A 37 -0.944 -2.228 -6.326 1.00 0.00 C ATOM 530 O PHE A 37 -1.610 -2.761 -5.461 1.00 0.00 O ATOM 531 CB PHE A 37 -0.127 -2.726 -8.628 1.00 0.00 C ATOM 532 CG PHE A 37 -1.553 -3.051 -9.004 1.00 0.00 C ATOM 533 CD1 PHE A 37 -2.012 -4.370 -8.923 1.00 0.00 C ATOM 534 CD2 PHE A 37 -2.414 -2.033 -9.427 1.00 0.00 C ATOM 535 CE1 PHE A 37 -3.336 -4.672 -9.266 1.00 0.00 C ATOM 536 CE2 PHE A 37 -3.738 -2.335 -9.771 1.00 0.00 C ATOM 537 CZ PHE A 37 -4.198 -3.654 -9.690 1.00 0.00 C ATOM 0 H PHE A 37 -0.926 -4.722 -6.341 1.00 0.00 H new ATOM 0 HA PHE A 37 1.086 -2.727 -6.844 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.087 -1.678 -8.838 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.564 -3.319 -9.227 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.346 -5.155 -8.596 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.058 -1.015 -9.488 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.692 -5.690 -9.203 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.403 -1.550 -10.099 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.219 -3.887 -9.955 1.00 0.00 H new ATOM 547 N LEU A 38 -1.074 -0.961 -6.599 1.00 0.00 N ATOM 548 CA LEU A 38 -2.055 -0.129 -5.847 1.00 0.00 C ATOM 549 C LEU A 38 -3.068 0.471 -6.822 1.00 0.00 C ATOM 550 O LEU A 38 -2.835 1.506 -7.413 1.00 0.00 O ATOM 551 CB LEU A 38 -1.317 0.998 -5.121 1.00 0.00 C ATOM 552 CG LEU A 38 -0.101 0.425 -4.389 1.00 0.00 C ATOM 553 CD1 LEU A 38 0.477 1.487 -3.452 1.00 0.00 C ATOM 554 CD2 LEU A 38 -0.527 -0.797 -3.573 1.00 0.00 C ATOM 0 H LEU A 38 -0.542 -0.463 -7.313 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.576 -0.751 -5.119 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.000 1.758 -5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.985 1.486 -4.411 1.00 0.00 H new ATOM 0 HG LEU A 38 0.656 0.131 -5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.343 1.080 -2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.780 2.358 -4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.280 1.781 -2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.338 -1.206 -3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.284 -0.503 -2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.940 -1.554 -4.240 1.00 0.00 H new ATOM 566 N ALA A 39 -4.194 -0.168 -6.995 1.00 0.00 N ATOM 567 CA ALA A 39 -5.218 0.374 -7.931 1.00 0.00 C ATOM 568 C ALA A 39 -6.184 1.273 -7.161 1.00 0.00 C ATOM 569 O ALA A 39 -6.491 1.028 -6.009 1.00 0.00 O ATOM 570 CB ALA A 39 -5.999 -0.777 -8.570 1.00 0.00 C ATOM 0 H ALA A 39 -4.448 -1.039 -6.530 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.721 0.950 -8.712 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.746 -0.374 -9.254 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.313 -1.421 -9.121 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.494 -1.357 -7.791 1.00 0.00 H new ATOM 576 N ALA A 40 -6.672 2.306 -7.786 1.00 0.00 N ATOM 577 CA ALA A 40 -7.624 3.212 -7.088 1.00 0.00 C ATOM 578 C ALA A 40 -8.881 2.422 -6.719 1.00 0.00 C ATOM 579 O ALA A 40 -9.368 1.619 -7.489 1.00 0.00 O ATOM 580 CB ALA A 40 -7.997 4.370 -8.015 1.00 0.00 C ATOM 0 H ALA A 40 -6.453 2.562 -8.749 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.163 3.611 -6.185 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.694 5.034 -7.505 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.098 4.925 -8.284 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.465 3.977 -8.918 1.00 0.00 H new ATOM 586 N ASN A 41 -9.407 2.634 -5.544 1.00 0.00 N ATOM 587 CA ASN A 41 -10.628 1.887 -5.131 1.00 0.00 C ATOM 588 C ASN A 41 -11.826 2.369 -5.952 1.00 0.00 C ATOM 589 O ASN A 41 -12.905 1.817 -5.875 1.00 0.00 O ATOM 590 CB ASN A 41 -10.896 2.127 -3.643 1.00 0.00 C ATOM 591 CG ASN A 41 -12.297 1.627 -3.288 1.00 0.00 C ATOM 592 OD1 ASN A 41 -13.203 2.413 -3.092 1.00 0.00 O ATOM 593 ND2 ASN A 41 -12.515 0.344 -3.196 1.00 0.00 N ATOM 0 H ASN A 41 -9.045 3.291 -4.853 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.477 0.822 -5.304 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.150 1.609 -3.040 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.809 3.189 -3.414 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.446 0.001 -2.960 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.755 -0.316 -3.361 1.00 0.00 H new ATOM 600 N THR A 42 -11.646 3.394 -6.740 1.00 0.00 N ATOM 601 CA THR A 42 -12.776 3.906 -7.564 1.00 0.00 C ATOM 602 C THR A 42 -12.628 3.410 -9.005 1.00 0.00 C ATOM 603 O THR A 42 -13.409 3.758 -9.867 1.00 0.00 O ATOM 604 CB THR A 42 -12.768 5.436 -7.546 1.00 0.00 C ATOM 605 OG1 THR A 42 -11.450 5.903 -7.795 1.00 0.00 O ATOM 606 CG2 THR A 42 -13.240 5.935 -6.180 1.00 0.00 C ATOM 0 H THR A 42 -10.766 3.898 -6.848 1.00 0.00 H new ATOM 0 HA THR A 42 -13.718 3.543 -7.153 1.00 0.00 H new ATOM 0 HB THR A 42 -13.439 5.813 -8.318 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.107 5.493 -8.616 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.234 7.025 -6.169 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.252 5.576 -5.991 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.571 5.560 -5.405 1.00 0.00 H new ATOM 614 N PHE A 43 -11.633 2.600 -9.266 1.00 0.00 N ATOM 615 CA PHE A 43 -11.418 2.065 -10.646 1.00 0.00 C ATOM 616 C PHE A 43 -12.772 1.768 -11.304 1.00 0.00 C ATOM 617 O PHE A 43 -13.689 1.328 -10.640 1.00 0.00 O ATOM 618 CB PHE A 43 -10.603 0.770 -10.549 1.00 0.00 C ATOM 619 CG PHE A 43 -10.487 0.131 -11.912 1.00 0.00 C ATOM 620 CD1 PHE A 43 -11.576 -0.561 -12.457 1.00 0.00 C ATOM 621 CD2 PHE A 43 -9.292 0.233 -12.632 1.00 0.00 C ATOM 622 CE1 PHE A 43 -11.468 -1.151 -13.721 1.00 0.00 C ATOM 623 CE2 PHE A 43 -9.183 -0.358 -13.897 1.00 0.00 C ATOM 624 CZ PHE A 43 -10.271 -1.049 -14.441 1.00 0.00 C ATOM 0 H PHE A 43 -10.953 2.283 -8.575 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.884 2.800 -11.248 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.610 0.984 -10.153 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.082 0.080 -9.854 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -12.499 -0.639 -11.902 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.453 0.768 -12.212 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -12.307 -1.685 -14.141 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.260 -0.280 -14.452 1.00 0.00 H new ATOM 0 HZ PHE A 43 -10.188 -1.504 -15.417 1.00 0.00 H new ATOM 634 N PRO A 44 -12.859 2.009 -12.592 1.00 0.00 N ATOM 635 CA PRO A 44 -11.755 2.538 -13.387 1.00 0.00 C ATOM 636 C PRO A 44 -11.607 4.050 -13.181 1.00 0.00 C ATOM 637 O PRO A 44 -10.761 4.680 -13.781 1.00 0.00 O ATOM 638 CB PRO A 44 -12.159 2.246 -14.825 1.00 0.00 C ATOM 639 CG PRO A 44 -13.719 2.232 -14.770 1.00 0.00 C ATOM 640 CD PRO A 44 -14.096 1.744 -13.340 1.00 0.00 C ATOM 0 HA PRO A 44 -10.799 2.092 -13.112 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.788 3.010 -15.509 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.761 1.291 -15.168 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.125 3.225 -14.962 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -14.130 1.567 -15.530 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.945 2.292 -12.932 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.363 0.687 -13.326 1.00 0.00 H new ATOM 648 N LYS A 45 -12.427 4.633 -12.344 1.00 0.00 N ATOM 649 CA LYS A 45 -12.342 6.101 -12.099 1.00 0.00 C ATOM 650 C LYS A 45 -10.875 6.537 -12.078 1.00 0.00 C ATOM 651 O LYS A 45 -10.416 7.247 -12.951 1.00 0.00 O ATOM 652 CB LYS A 45 -12.996 6.423 -10.753 1.00 0.00 C ATOM 653 CG LYS A 45 -12.627 7.844 -10.336 1.00 0.00 C ATOM 654 CD LYS A 45 -13.453 8.252 -9.114 1.00 0.00 C ATOM 655 CE LYS A 45 -14.244 9.522 -9.434 1.00 0.00 C ATOM 656 NZ LYS A 45 -15.645 9.159 -9.790 1.00 0.00 N ATOM 0 H LYS A 45 -13.155 4.151 -11.818 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.860 6.636 -12.895 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.079 6.325 -10.830 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.664 5.712 -9.996 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.563 7.901 -10.104 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.811 8.535 -11.159 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.134 7.447 -8.837 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.798 8.424 -8.260 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.238 10.193 -8.575 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.775 10.057 -10.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.183 10.022 -10.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.641 8.535 -10.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.090 8.666 -8.989 1.00 0.00 H new ATOM 670 N SER A 46 -10.133 6.111 -11.095 1.00 0.00 N ATOM 671 CA SER A 46 -8.696 6.495 -11.031 1.00 0.00 C ATOM 672 C SER A 46 -7.844 5.319 -11.508 1.00 0.00 C ATOM 673 O SER A 46 -7.668 4.343 -10.807 1.00 0.00 O ATOM 674 CB SER A 46 -8.322 6.848 -9.591 1.00 0.00 C ATOM 675 OG SER A 46 -9.412 6.546 -8.733 1.00 0.00 O ATOM 0 H SER A 46 -10.459 5.515 -10.334 1.00 0.00 H new ATOM 0 HA SER A 46 -8.519 7.361 -11.669 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.438 6.288 -9.285 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.070 7.906 -9.518 1.00 0.00 H new ATOM 0 HG SER A 46 -9.325 7.057 -7.901 1.00 0.00 H new ATOM 681 N ARG A 47 -7.318 5.400 -12.699 1.00 0.00 N ATOM 682 CA ARG A 47 -6.484 4.281 -13.219 1.00 0.00 C ATOM 683 C ARG A 47 -5.025 4.511 -12.823 1.00 0.00 C ATOM 684 O ARG A 47 -4.120 4.321 -13.611 1.00 0.00 O ATOM 685 CB ARG A 47 -6.597 4.225 -14.744 1.00 0.00 C ATOM 686 CG ARG A 47 -7.441 3.015 -15.147 1.00 0.00 C ATOM 687 CD ARG A 47 -7.273 2.752 -16.645 1.00 0.00 C ATOM 688 NE ARG A 47 -7.206 1.284 -16.887 1.00 0.00 N ATOM 689 CZ ARG A 47 -6.214 0.780 -17.568 1.00 0.00 C ATOM 690 NH1 ARG A 47 -5.849 1.331 -18.693 1.00 0.00 N ATOM 691 NH2 ARG A 47 -5.587 -0.275 -17.125 1.00 0.00 N ATOM 0 H ARG A 47 -7.429 6.191 -13.333 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.833 3.339 -12.796 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.052 5.141 -15.120 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.605 4.156 -15.191 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.135 2.138 -14.576 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.490 3.196 -14.914 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.108 3.185 -17.197 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.366 3.233 -17.010 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.936 0.673 -16.520 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.339 2.156 -19.040 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.073 0.937 -19.226 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.872 -0.706 -16.246 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.811 -0.669 -17.658 1.00 0.00 H new ATOM 705 N GLU A 48 -4.792 4.916 -11.605 1.00 0.00 N ATOM 706 CA GLU A 48 -3.394 5.153 -11.153 1.00 0.00 C ATOM 707 C GLU A 48 -2.798 3.840 -10.643 1.00 0.00 C ATOM 708 O GLU A 48 -2.333 3.751 -9.525 1.00 0.00 O ATOM 709 CB GLU A 48 -3.390 6.190 -10.028 1.00 0.00 C ATOM 710 CG GLU A 48 -4.006 7.496 -10.536 1.00 0.00 C ATOM 711 CD GLU A 48 -5.026 8.009 -9.518 1.00 0.00 C ATOM 712 OE1 GLU A 48 -5.474 7.216 -8.706 1.00 0.00 O ATOM 713 OE2 GLU A 48 -5.344 9.185 -9.569 1.00 0.00 O ATOM 0 H GLU A 48 -5.511 5.093 -10.903 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.798 5.524 -11.987 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.955 5.817 -9.173 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.371 6.366 -9.684 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.226 8.241 -10.693 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.489 7.332 -11.499 1.00 0.00 H new ATOM 720 N THR A 49 -2.816 2.819 -11.455 1.00 0.00 N ATOM 721 CA THR A 49 -2.258 1.508 -11.018 1.00 0.00 C ATOM 722 C THR A 49 -0.771 1.438 -11.375 1.00 0.00 C ATOM 723 O THR A 49 -0.343 1.944 -12.393 1.00 0.00 O ATOM 724 CB THR A 49 -3.005 0.374 -11.725 1.00 0.00 C ATOM 725 OG1 THR A 49 -2.381 0.106 -12.973 1.00 0.00 O ATOM 726 CG2 THR A 49 -4.460 0.782 -11.957 1.00 0.00 C ATOM 0 H THR A 49 -3.193 2.836 -12.403 1.00 0.00 H new ATOM 0 HA THR A 49 -2.377 1.406 -9.939 1.00 0.00 H new ATOM 0 HB THR A 49 -2.978 -0.521 -11.104 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.856 -0.621 -13.427 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.989 -0.027 -12.460 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.938 0.987 -10.999 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.492 1.678 -12.577 1.00 0.00 H new ATOM 734 N ARG A 50 0.016 0.813 -10.543 1.00 0.00 N ATOM 735 CA ARG A 50 1.475 0.706 -10.827 1.00 0.00 C ATOM 736 C ARG A 50 2.214 0.330 -9.541 1.00 0.00 C ATOM 737 O ARG A 50 1.673 0.420 -8.456 1.00 0.00 O ATOM 738 CB ARG A 50 1.999 2.048 -11.341 1.00 0.00 C ATOM 739 CG ARG A 50 2.298 1.941 -12.837 1.00 0.00 C ATOM 740 CD ARG A 50 3.556 2.748 -13.166 1.00 0.00 C ATOM 741 NE ARG A 50 3.243 3.742 -14.231 1.00 0.00 N ATOM 742 CZ ARG A 50 3.985 4.807 -14.367 1.00 0.00 C ATOM 743 NH1 ARG A 50 5.208 4.699 -14.808 1.00 0.00 N ATOM 744 NH2 ARG A 50 3.504 5.981 -14.060 1.00 0.00 N ATOM 0 H ARG A 50 -0.289 0.371 -9.676 1.00 0.00 H new ATOM 0 HA ARG A 50 1.642 -0.060 -11.584 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.262 2.831 -11.162 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.901 2.330 -10.798 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.440 0.897 -13.116 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.453 2.314 -13.415 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.918 3.257 -12.273 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.352 2.082 -13.498 1.00 0.00 H new ATOM 0 HE ARG A 50 2.449 3.590 -14.853 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.585 3.782 -15.047 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.787 5.532 -14.914 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.548 6.066 -13.714 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.084 6.813 -14.166 1.00 0.00 H new ATOM 758 N ALA A 51 3.444 -0.090 -9.650 1.00 0.00 N ATOM 759 CA ALA A 51 4.208 -0.468 -8.428 1.00 0.00 C ATOM 760 C ALA A 51 4.329 0.752 -7.508 1.00 0.00 C ATOM 761 O ALA A 51 4.422 1.869 -7.976 1.00 0.00 O ATOM 762 CB ALA A 51 5.602 -0.947 -8.822 1.00 0.00 C ATOM 0 H ALA A 51 3.952 -0.188 -10.529 1.00 0.00 H new ATOM 0 HA ALA A 51 3.685 -1.270 -7.907 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.159 -1.223 -7.926 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.517 -1.814 -9.478 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.128 -0.147 -9.344 1.00 0.00 H new ATOM 768 N PRO A 52 4.311 0.501 -6.223 1.00 0.00 N ATOM 769 CA PRO A 52 4.401 1.559 -5.231 1.00 0.00 C ATOM 770 C PRO A 52 5.857 1.981 -5.001 1.00 0.00 C ATOM 771 O PRO A 52 6.764 1.171 -5.027 1.00 0.00 O ATOM 772 CB PRO A 52 3.842 0.925 -3.965 1.00 0.00 C ATOM 773 CG PRO A 52 4.154 -0.597 -4.144 1.00 0.00 C ATOM 774 CD PRO A 52 4.186 -0.860 -5.679 1.00 0.00 C ATOM 0 HA PRO A 52 3.864 2.456 -5.540 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.318 1.329 -3.071 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.772 1.105 -3.866 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.109 -0.855 -3.686 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.393 -1.209 -3.661 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.026 -1.492 -5.967 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.280 -1.356 -6.026 1.00 0.00 H new ATOM 782 N LEU A 53 6.081 3.245 -4.753 1.00 0.00 N ATOM 783 CA LEU A 53 7.466 3.725 -4.487 1.00 0.00 C ATOM 784 C LEU A 53 8.084 2.858 -3.388 1.00 0.00 C ATOM 785 O LEU A 53 7.402 2.413 -2.486 1.00 0.00 O ATOM 786 CB LEU A 53 7.414 5.175 -4.020 1.00 0.00 C ATOM 787 CG LEU A 53 8.435 5.991 -4.807 1.00 0.00 C ATOM 788 CD1 LEU A 53 9.790 5.287 -4.772 1.00 0.00 C ATOM 789 CD2 LEU A 53 7.974 6.131 -6.259 1.00 0.00 C ATOM 0 H LEU A 53 5.361 3.967 -4.724 1.00 0.00 H new ATOM 0 HA LEU A 53 8.066 3.658 -5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.414 5.582 -4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.628 5.234 -2.953 1.00 0.00 H new ATOM 0 HG LEU A 53 8.526 6.980 -4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.518 5.871 -5.335 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.123 5.190 -3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.697 4.297 -5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.705 6.714 -6.818 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.879 5.142 -6.708 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.009 6.636 -6.287 1.00 0.00 H new ATOM 801 N VAL A 54 9.364 2.614 -3.446 1.00 0.00 N ATOM 802 CA VAL A 54 10.004 1.776 -2.396 1.00 0.00 C ATOM 803 C VAL A 54 9.857 2.472 -1.042 1.00 0.00 C ATOM 804 O VAL A 54 9.621 1.842 -0.029 1.00 0.00 O ATOM 805 CB VAL A 54 11.486 1.586 -2.726 1.00 0.00 C ATOM 806 CG1 VAL A 54 12.074 0.496 -1.830 1.00 0.00 C ATOM 807 CG2 VAL A 54 11.632 1.165 -4.191 1.00 0.00 C ATOM 0 H VAL A 54 9.992 2.958 -4.173 1.00 0.00 H new ATOM 0 HA VAL A 54 9.521 0.800 -2.357 1.00 0.00 H new ATOM 0 HB VAL A 54 12.016 2.523 -2.558 1.00 0.00 H new ATOM 0 HG11 VAL A 54 13.130 0.361 -2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.970 0.789 -0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.542 -0.440 -1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.687 1.029 -4.427 1.00 0.00 H new ATOM 0 HG22 VAL A 54 11.100 0.228 -4.355 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.212 1.938 -4.835 1.00 0.00 H new ATOM 817 N GLU A 55 9.984 3.770 -1.019 1.00 0.00 N ATOM 818 CA GLU A 55 9.840 4.506 0.266 1.00 0.00 C ATOM 819 C GLU A 55 8.378 4.455 0.708 1.00 0.00 C ATOM 820 O GLU A 55 8.072 4.503 1.883 1.00 0.00 O ATOM 821 CB GLU A 55 10.267 5.963 0.075 1.00 0.00 C ATOM 822 CG GLU A 55 9.232 6.691 -0.784 1.00 0.00 C ATOM 823 CD GLU A 55 9.672 8.140 -0.996 1.00 0.00 C ATOM 824 OE1 GLU A 55 10.502 8.605 -0.232 1.00 0.00 O ATOM 825 OE2 GLU A 55 9.171 8.762 -1.918 1.00 0.00 O ATOM 0 H GLU A 55 10.181 4.351 -1.834 1.00 0.00 H new ATOM 0 HA GLU A 55 10.471 4.045 1.026 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.362 6.455 1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.246 6.006 -0.402 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.124 6.189 -1.745 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.257 6.663 -0.298 1.00 0.00 H new ATOM 832 N GLU A 56 7.471 4.345 -0.224 1.00 0.00 N ATOM 833 CA GLU A 56 6.031 4.275 0.148 1.00 0.00 C ATOM 834 C GLU A 56 5.765 2.923 0.807 1.00 0.00 C ATOM 835 O GLU A 56 5.012 2.816 1.755 1.00 0.00 O ATOM 836 CB GLU A 56 5.168 4.415 -1.108 1.00 0.00 C ATOM 837 CG GLU A 56 4.216 5.600 -0.945 1.00 0.00 C ATOM 838 CD GLU A 56 3.213 5.613 -2.101 1.00 0.00 C ATOM 839 OE1 GLU A 56 2.883 4.542 -2.585 1.00 0.00 O ATOM 840 OE2 GLU A 56 2.792 6.693 -2.482 1.00 0.00 O ATOM 0 H GLU A 56 7.665 4.301 -1.224 1.00 0.00 H new ATOM 0 HA GLU A 56 5.784 5.081 0.838 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.802 4.562 -1.983 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.600 3.500 -1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.689 5.528 0.007 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.779 6.533 -0.928 1.00 0.00 H new ATOM 847 N LEU A 57 6.390 1.891 0.312 1.00 0.00 N ATOM 848 CA LEU A 57 6.192 0.542 0.908 1.00 0.00 C ATOM 849 C LEU A 57 6.696 0.557 2.351 1.00 0.00 C ATOM 850 O LEU A 57 6.090 -0.011 3.238 1.00 0.00 O ATOM 851 CB LEU A 57 6.984 -0.489 0.100 1.00 0.00 C ATOM 852 CG LEU A 57 6.204 -1.802 0.034 1.00 0.00 C ATOM 853 CD1 LEU A 57 5.731 -2.189 1.435 1.00 0.00 C ATOM 854 CD2 LEU A 57 4.991 -1.626 -0.883 1.00 0.00 C ATOM 0 H LEU A 57 7.030 1.925 -0.481 1.00 0.00 H new ATOM 0 HA LEU A 57 5.134 0.280 0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.168 -0.113 -0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.958 -0.656 0.561 1.00 0.00 H new ATOM 0 HG LEU A 57 6.849 -2.588 -0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.175 -3.125 1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.594 -2.313 2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.086 -1.405 1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.433 -2.561 -0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.348 -0.840 -0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.327 -1.352 -1.883 1.00 0.00 H new ATOM 866 N TYR A 58 7.804 1.206 2.596 1.00 0.00 N ATOM 867 CA TYR A 58 8.344 1.259 3.983 1.00 0.00 C ATOM 868 C TYR A 58 7.440 2.142 4.848 1.00 0.00 C ATOM 869 O TYR A 58 7.242 1.887 6.018 1.00 0.00 O ATOM 870 CB TYR A 58 9.757 1.843 3.959 1.00 0.00 C ATOM 871 CG TYR A 58 10.452 1.532 5.263 1.00 0.00 C ATOM 872 CD1 TYR A 58 9.985 2.093 6.458 1.00 0.00 C ATOM 873 CD2 TYR A 58 11.565 0.681 5.278 1.00 0.00 C ATOM 874 CE1 TYR A 58 10.630 1.804 7.666 1.00 0.00 C ATOM 875 CE2 TYR A 58 12.209 0.392 6.486 1.00 0.00 C ATOM 876 CZ TYR A 58 11.742 0.954 7.680 1.00 0.00 C ATOM 877 OH TYR A 58 12.378 0.668 8.872 1.00 0.00 O ATOM 0 H TYR A 58 8.356 1.700 1.895 1.00 0.00 H new ATOM 0 HA TYR A 58 8.375 0.252 4.400 1.00 0.00 H new ATOM 0 HB2 TYR A 58 10.321 1.425 3.125 1.00 0.00 H new ATOM 0 HB3 TYR A 58 9.714 2.921 3.806 1.00 0.00 H new ATOM 0 HD1 TYR A 58 9.127 2.749 6.447 1.00 0.00 H new ATOM 0 HD2 TYR A 58 11.926 0.248 4.357 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.270 2.237 8.588 1.00 0.00 H new ATOM 0 HE2 TYR A 58 13.066 -0.265 6.497 1.00 0.00 H new ATOM 0 HH TYR A 58 13.130 0.062 8.705 1.00 0.00 H new ATOM 887 N ARG A 59 6.890 3.180 4.278 1.00 0.00 N ATOM 888 CA ARG A 59 6.000 4.079 5.065 1.00 0.00 C ATOM 889 C ARG A 59 4.713 3.335 5.425 1.00 0.00 C ATOM 890 O ARG A 59 4.024 3.681 6.364 1.00 0.00 O ATOM 891 CB ARG A 59 5.655 5.315 4.232 1.00 0.00 C ATOM 892 CG ARG A 59 4.710 6.219 5.025 1.00 0.00 C ATOM 893 CD ARG A 59 3.494 6.563 4.164 1.00 0.00 C ATOM 894 NE ARG A 59 2.308 6.773 5.041 1.00 0.00 N ATOM 895 CZ ARG A 59 2.082 7.948 5.564 1.00 0.00 C ATOM 896 NH1 ARG A 59 3.053 8.605 6.137 1.00 0.00 N ATOM 897 NH2 ARG A 59 0.885 8.465 5.512 1.00 0.00 N ATOM 0 H ARG A 59 7.019 3.444 3.301 1.00 0.00 H new ATOM 0 HA ARG A 59 6.512 4.386 5.977 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.564 5.858 3.975 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.187 5.015 3.294 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.392 5.718 5.939 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.227 7.131 5.324 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.691 7.462 3.580 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.298 5.759 3.455 1.00 0.00 H new ATOM 0 HE ARG A 59 1.672 5.999 5.233 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.989 8.201 6.176 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.876 9.523 6.545 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.127 7.951 5.063 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.708 9.383 5.920 1.00 0.00 H new ATOM 911 N PHE A 60 4.384 2.312 4.685 1.00 0.00 N ATOM 912 CA PHE A 60 3.143 1.545 4.985 1.00 0.00 C ATOM 913 C PHE A 60 3.517 0.225 5.658 1.00 0.00 C ATOM 914 O PHE A 60 2.828 -0.767 5.531 1.00 0.00 O ATOM 915 CB PHE A 60 2.388 1.262 3.685 1.00 0.00 C ATOM 916 CG PHE A 60 1.504 2.440 3.352 1.00 0.00 C ATOM 917 CD1 PHE A 60 2.076 3.649 2.937 1.00 0.00 C ATOM 918 CD2 PHE A 60 0.113 2.326 3.461 1.00 0.00 C ATOM 919 CE1 PHE A 60 1.258 4.742 2.630 1.00 0.00 C ATOM 920 CE2 PHE A 60 -0.706 3.420 3.154 1.00 0.00 C ATOM 921 CZ PHE A 60 -0.133 4.628 2.739 1.00 0.00 C ATOM 0 H PHE A 60 4.921 1.975 3.886 1.00 0.00 H new ATOM 0 HA PHE A 60 2.506 2.127 5.651 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.093 1.082 2.874 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.786 0.360 3.790 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.149 3.738 2.854 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.329 1.394 3.782 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.700 5.674 2.309 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.779 3.332 3.237 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.764 5.472 2.503 1.00 0.00 H new ATOM 931 N ARG A 61 4.609 0.206 6.373 1.00 0.00 N ATOM 932 CA ARG A 61 5.032 -1.049 7.056 1.00 0.00 C ATOM 933 C ARG A 61 4.001 -1.420 8.126 1.00 0.00 C ATOM 934 O ARG A 61 3.754 -2.580 8.388 1.00 0.00 O ATOM 935 CB ARG A 61 6.396 -0.836 7.715 1.00 0.00 C ATOM 936 CG ARG A 61 7.267 -2.076 7.498 1.00 0.00 C ATOM 937 CD ARG A 61 7.448 -2.812 8.827 1.00 0.00 C ATOM 938 NE ARG A 61 8.851 -2.646 9.299 1.00 0.00 N ATOM 939 CZ ARG A 61 9.139 -2.811 10.561 1.00 0.00 C ATOM 940 NH1 ARG A 61 9.235 -4.015 11.056 1.00 0.00 N ATOM 941 NH2 ARG A 61 9.332 -1.773 11.328 1.00 0.00 N ATOM 0 H ARG A 61 5.226 1.006 6.513 1.00 0.00 H new ATOM 0 HA ARG A 61 5.103 -1.854 6.325 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.883 0.042 7.292 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.271 -0.648 8.781 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.803 -2.736 6.765 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.238 -1.786 7.096 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.754 -2.419 9.570 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.217 -3.870 8.703 1.00 0.00 H new ATOM 0 HE ARG A 61 9.587 -2.403 8.636 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.085 -4.826 10.456 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.460 -4.144 12.042 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.258 -0.832 10.941 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.557 -1.903 12.314 1.00 0.00 H new ATOM 955 N ASP A 62 3.397 -0.442 8.747 1.00 0.00 N ATOM 956 CA ASP A 62 2.383 -0.741 9.799 1.00 0.00 C ATOM 957 C ASP A 62 1.205 -1.492 9.176 1.00 0.00 C ATOM 958 O ASP A 62 0.369 -2.040 9.866 1.00 0.00 O ATOM 959 CB ASP A 62 1.885 0.570 10.414 1.00 0.00 C ATOM 960 CG ASP A 62 2.929 1.101 11.399 1.00 0.00 C ATOM 961 OD1 ASP A 62 3.862 1.747 10.951 1.00 0.00 O ATOM 962 OD2 ASP A 62 2.777 0.853 12.583 1.00 0.00 O ATOM 0 H ASP A 62 3.562 0.549 8.571 1.00 0.00 H new ATOM 0 HA ASP A 62 2.836 -1.358 10.575 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.702 1.305 9.630 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.937 0.407 10.926 1.00 0.00 H new ATOM 967 N ARG A 63 1.136 -1.524 7.874 1.00 0.00 N ATOM 968 CA ARG A 63 0.016 -2.242 7.201 1.00 0.00 C ATOM 969 C ARG A 63 0.589 -3.315 6.271 1.00 0.00 C ATOM 970 O ARG A 63 -0.134 -4.106 5.700 1.00 0.00 O ATOM 971 CB ARG A 63 -0.808 -1.245 6.382 1.00 0.00 C ATOM 972 CG ARG A 63 -2.259 -1.264 6.867 1.00 0.00 C ATOM 973 CD ARG A 63 -2.984 -0.017 6.356 1.00 0.00 C ATOM 974 NE ARG A 63 -3.726 0.619 7.480 1.00 0.00 N ATOM 975 CZ ARG A 63 -4.317 1.769 7.305 1.00 0.00 C ATOM 976 NH1 ARG A 63 -4.752 2.105 6.121 1.00 0.00 N ATOM 977 NH2 ARG A 63 -4.473 2.583 8.313 1.00 0.00 N ATOM 0 H ARG A 63 1.808 -1.083 7.246 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.621 -2.711 7.951 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.392 -0.243 6.484 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.763 -1.502 5.324 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.762 -2.162 6.509 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.289 -1.295 7.956 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.267 0.687 5.935 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.674 -0.286 5.556 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.772 0.155 8.387 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.630 1.469 5.333 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.214 3.004 5.984 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.133 2.320 9.238 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.935 3.482 8.176 1.00 0.00 H new ATOM 991 N LEU A 64 1.886 -3.341 6.115 1.00 0.00 N ATOM 992 CA LEU A 64 2.519 -4.350 5.226 1.00 0.00 C ATOM 993 C LEU A 64 1.840 -5.715 5.403 1.00 0.00 C ATOM 994 O LEU A 64 1.745 -6.210 6.509 1.00 0.00 O ATOM 995 CB LEU A 64 3.994 -4.475 5.600 1.00 0.00 C ATOM 996 CG LEU A 64 4.774 -4.994 4.399 1.00 0.00 C ATOM 997 CD1 LEU A 64 6.258 -4.669 4.577 1.00 0.00 C ATOM 998 CD2 LEU A 64 4.591 -6.509 4.294 1.00 0.00 C ATOM 0 H LEU A 64 2.536 -2.700 6.570 1.00 0.00 H new ATOM 0 HA LEU A 64 2.413 -4.033 4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.386 -3.507 5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.111 -5.153 6.445 1.00 0.00 H new ATOM 0 HG LEU A 64 4.406 -4.519 3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.817 -5.040 3.718 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.387 -3.590 4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.629 -5.146 5.485 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.148 -6.884 3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.961 -6.984 5.202 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.533 -6.740 4.169 1.00 0.00 H new ATOM 1010 N PRO A 65 1.392 -6.289 4.307 1.00 0.00 N ATOM 1011 CA PRO A 65 0.741 -7.590 4.327 1.00 0.00 C ATOM 1012 C PRO A 65 1.793 -8.708 4.361 1.00 0.00 C ATOM 1013 O PRO A 65 1.766 -9.615 3.554 1.00 0.00 O ATOM 1014 CB PRO A 65 -0.029 -7.642 3.017 1.00 0.00 C ATOM 1015 CG PRO A 65 0.804 -6.722 2.068 1.00 0.00 C ATOM 1016 CD PRO A 65 1.490 -5.662 2.979 1.00 0.00 C ATOM 0 HA PRO A 65 0.101 -7.725 5.199 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.097 -8.659 2.632 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.049 -7.277 3.136 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.546 -7.301 1.518 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.162 -6.243 1.329 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.525 -5.483 2.688 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.978 -4.701 2.943 1.00 0.00 H new ATOM 1024 N GLU A 66 2.716 -8.651 5.284 1.00 0.00 N ATOM 1025 CA GLU A 66 3.763 -9.707 5.365 1.00 0.00 C ATOM 1026 C GLU A 66 4.500 -9.804 4.025 1.00 0.00 C ATOM 1027 O GLU A 66 5.511 -9.161 3.817 1.00 0.00 O ATOM 1028 CB GLU A 66 3.100 -11.043 5.695 1.00 0.00 C ATOM 1029 CG GLU A 66 4.077 -12.189 5.420 1.00 0.00 C ATOM 1030 CD GLU A 66 3.640 -13.431 6.198 1.00 0.00 C ATOM 1031 OE1 GLU A 66 2.670 -13.336 6.932 1.00 0.00 O ATOM 1032 OE2 GLU A 66 4.282 -14.458 6.047 1.00 0.00 O ATOM 0 H GLU A 66 2.789 -7.915 5.987 1.00 0.00 H new ATOM 0 HA GLU A 66 4.481 -9.456 6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.792 -11.058 6.741 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.198 -11.170 5.096 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.106 -12.407 4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.086 -11.899 5.714 1.00 0.00 H new ATOM 1039 N LYS A 67 4.004 -10.606 3.117 1.00 0.00 N ATOM 1040 CA LYS A 67 4.675 -10.749 1.791 1.00 0.00 C ATOM 1041 C LYS A 67 4.668 -9.401 1.066 1.00 0.00 C ATOM 1042 O LYS A 67 3.747 -9.078 0.342 1.00 0.00 O ATOM 1043 CB LYS A 67 3.925 -11.784 0.949 1.00 0.00 C ATOM 1044 CG LYS A 67 4.731 -12.100 -0.312 1.00 0.00 C ATOM 1045 CD LYS A 67 3.794 -12.634 -1.397 1.00 0.00 C ATOM 1046 CE LYS A 67 3.040 -11.467 -2.039 1.00 0.00 C ATOM 1047 NZ LYS A 67 1.573 -11.675 -1.874 1.00 0.00 N ATOM 0 H LYS A 67 3.162 -11.169 3.238 1.00 0.00 H new ATOM 0 HA LYS A 67 5.704 -11.076 1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.766 -12.693 1.529 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.941 -11.403 0.678 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.240 -11.203 -0.665 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.502 -12.837 -0.088 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.365 -13.172 -2.153 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.088 -13.344 -0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.340 -10.527 -1.576 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.292 -11.395 -3.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.059 -10.883 -2.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.294 -12.564 -2.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.341 -11.723 -0.861 1.00 0.00 H new ATOM 1061 N LEU A 68 5.690 -8.616 1.264 1.00 0.00 N ATOM 1062 CA LEU A 68 5.764 -7.280 0.608 1.00 0.00 C ATOM 1063 C LEU A 68 6.981 -6.535 1.153 1.00 0.00 C ATOM 1064 O LEU A 68 7.598 -5.738 0.475 1.00 0.00 O ATOM 1065 CB LEU A 68 4.506 -6.473 0.943 1.00 0.00 C ATOM 1066 CG LEU A 68 4.202 -5.461 -0.170 1.00 0.00 C ATOM 1067 CD1 LEU A 68 3.359 -4.328 0.412 1.00 0.00 C ATOM 1068 CD2 LEU A 68 5.504 -4.878 -0.731 1.00 0.00 C ATOM 0 H LEU A 68 6.486 -8.846 1.859 1.00 0.00 H new ATOM 0 HA LEU A 68 5.843 -7.406 -0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.659 -7.146 1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.644 -5.950 1.890 1.00 0.00 H new ATOM 0 HG LEU A 68 3.664 -5.963 -0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.136 -3.602 -0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.427 -4.733 0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.911 -3.839 1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.272 -4.162 -1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.051 -4.375 0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.116 -5.682 -1.140 1.00 0.00 H new ATOM 1080 N ARG A 69 7.321 -6.785 2.387 1.00 0.00 N ATOM 1081 CA ARG A 69 8.487 -6.095 3.003 1.00 0.00 C ATOM 1082 C ARG A 69 9.714 -6.233 2.097 1.00 0.00 C ATOM 1083 O ARG A 69 10.416 -5.275 1.842 1.00 0.00 O ATOM 1084 CB ARG A 69 8.779 -6.729 4.361 1.00 0.00 C ATOM 1085 CG ARG A 69 9.114 -5.636 5.377 1.00 0.00 C ATOM 1086 CD ARG A 69 8.279 -5.846 6.642 1.00 0.00 C ATOM 1087 NE ARG A 69 9.054 -5.390 7.829 1.00 0.00 N ATOM 1088 CZ ARG A 69 9.629 -6.264 8.610 1.00 0.00 C ATOM 1089 NH1 ARG A 69 8.937 -6.867 9.537 1.00 0.00 N ATOM 1090 NH2 ARG A 69 10.897 -6.536 8.461 1.00 0.00 N ATOM 0 H ARG A 69 6.837 -7.442 2.999 1.00 0.00 H new ATOM 0 HA ARG A 69 8.259 -5.037 3.130 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.915 -7.302 4.699 1.00 0.00 H new ATOM 0 HB3 ARG A 69 9.611 -7.428 4.276 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.176 -5.663 5.620 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.909 -4.653 4.952 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.344 -5.291 6.570 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.017 -6.899 6.748 1.00 0.00 H new ATOM 0 HE ARG A 69 9.136 -4.394 8.032 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.946 -6.656 9.652 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.387 -7.550 10.147 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.438 -6.066 7.735 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.347 -7.219 9.071 1.00 0.00 H new ATOM 1104 N TYR A 70 9.983 -7.415 1.611 1.00 0.00 N ATOM 1105 CA TYR A 70 11.168 -7.600 0.725 1.00 0.00 C ATOM 1106 C TYR A 70 11.219 -6.460 -0.295 1.00 0.00 C ATOM 1107 O TYR A 70 12.273 -5.933 -0.605 1.00 0.00 O ATOM 1108 CB TYR A 70 11.052 -8.940 -0.005 1.00 0.00 C ATOM 1109 CG TYR A 70 9.805 -8.947 -0.856 1.00 0.00 C ATOM 1110 CD1 TYR A 70 8.564 -9.236 -0.277 1.00 0.00 C ATOM 1111 CD2 TYR A 70 9.891 -8.666 -2.224 1.00 0.00 C ATOM 1112 CE1 TYR A 70 7.409 -9.243 -1.067 1.00 0.00 C ATOM 1113 CE2 TYR A 70 8.736 -8.674 -3.015 1.00 0.00 C ATOM 1114 CZ TYR A 70 7.495 -8.963 -2.436 1.00 0.00 C ATOM 1115 OH TYR A 70 6.355 -8.971 -3.214 1.00 0.00 O ATOM 0 H TYR A 70 9.436 -8.257 1.788 1.00 0.00 H new ATOM 0 HA TYR A 70 12.079 -7.593 1.323 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.931 -9.103 -0.629 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.017 -9.757 0.716 1.00 0.00 H new ATOM 0 HD1 TYR A 70 8.498 -9.453 0.779 1.00 0.00 H new ATOM 0 HD2 TYR A 70 10.849 -8.443 -2.670 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.451 -9.464 -0.620 1.00 0.00 H new ATOM 0 HE2 TYR A 70 8.803 -8.457 -4.071 1.00 0.00 H new ATOM 0 HH TYR A 70 6.605 -8.931 -4.161 1.00 0.00 H new ATOM 1125 N LEU A 71 10.086 -6.071 -0.812 1.00 0.00 N ATOM 1126 CA LEU A 71 10.055 -4.959 -1.803 1.00 0.00 C ATOM 1127 C LEU A 71 10.226 -3.630 -1.066 1.00 0.00 C ATOM 1128 O LEU A 71 10.860 -2.714 -1.552 1.00 0.00 O ATOM 1129 CB LEU A 71 8.710 -4.971 -2.535 1.00 0.00 C ATOM 1130 CG LEU A 71 8.889 -5.564 -3.932 1.00 0.00 C ATOM 1131 CD1 LEU A 71 7.646 -6.374 -4.306 1.00 0.00 C ATOM 1132 CD2 LEU A 71 9.075 -4.428 -4.938 1.00 0.00 C ATOM 0 H LEU A 71 9.177 -6.477 -0.590 1.00 0.00 H new ATOM 0 HA LEU A 71 10.861 -5.083 -2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.984 -5.556 -1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.315 -3.958 -2.607 1.00 0.00 H new ATOM 0 HG LEU A 71 9.763 -6.215 -3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.774 -6.797 -5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.506 -7.179 -3.585 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.772 -5.723 -4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.203 -4.844 -5.937 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.197 -3.782 -4.924 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.957 -3.847 -4.671 1.00 0.00 H new ATOM 1144 N ALA A 72 9.670 -3.521 0.110 1.00 0.00 N ATOM 1145 CA ALA A 72 9.804 -2.256 0.886 1.00 0.00 C ATOM 1146 C ALA A 72 11.227 -2.146 1.437 1.00 0.00 C ATOM 1147 O ALA A 72 11.608 -1.140 2.001 1.00 0.00 O ATOM 1148 CB ALA A 72 8.808 -2.261 2.047 1.00 0.00 C ATOM 0 H ALA A 72 9.128 -4.254 0.567 1.00 0.00 H new ATOM 0 HA ALA A 72 9.598 -1.407 0.235 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.906 -1.336 2.615 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.794 -2.341 1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.013 -3.110 2.699 1.00 0.00 H new ATOM 1154 N ASP A 73 12.018 -3.171 1.274 1.00 0.00 N ATOM 1155 CA ASP A 73 13.415 -3.122 1.787 1.00 0.00 C ATOM 1156 C ASP A 73 14.336 -2.616 0.678 1.00 0.00 C ATOM 1157 O ASP A 73 15.453 -2.202 0.922 1.00 0.00 O ATOM 1158 CB ASP A 73 13.853 -4.525 2.215 1.00 0.00 C ATOM 1159 CG ASP A 73 13.528 -4.732 3.695 1.00 0.00 C ATOM 1160 OD1 ASP A 73 13.852 -3.857 4.481 1.00 0.00 O ATOM 1161 OD2 ASP A 73 12.961 -5.763 4.018 1.00 0.00 O ATOM 0 H ASP A 73 11.757 -4.040 0.808 1.00 0.00 H new ATOM 0 HA ASP A 73 13.468 -2.451 2.645 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.344 -5.276 1.611 1.00 0.00 H new ATOM 0 HB3 ASP A 73 14.922 -4.651 2.046 1.00 0.00 H new ATOM 1166 N ALA A 74 13.874 -2.643 -0.543 1.00 0.00 N ATOM 1167 CA ALA A 74 14.717 -2.162 -1.670 1.00 0.00 C ATOM 1168 C ALA A 74 14.988 -0.663 -1.499 1.00 0.00 C ATOM 1169 O ALA A 74 14.370 -0.015 -0.678 1.00 0.00 O ATOM 1170 CB ALA A 74 13.985 -2.400 -2.992 1.00 0.00 C ATOM 0 H ALA A 74 12.948 -2.978 -0.807 1.00 0.00 H new ATOM 0 HA ALA A 74 15.662 -2.705 -1.676 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.602 -2.048 -3.818 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.790 -3.466 -3.113 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.040 -1.857 -2.988 1.00 0.00 H new ATOM 1176 N PRO A 75 15.908 -0.159 -2.282 1.00 0.00 N ATOM 1177 CA PRO A 75 16.274 1.249 -2.234 1.00 0.00 C ATOM 1178 C PRO A 75 15.135 2.125 -2.764 1.00 0.00 C ATOM 1179 O PRO A 75 14.416 1.751 -3.669 1.00 0.00 O ATOM 1180 CB PRO A 75 17.499 1.360 -3.137 1.00 0.00 C ATOM 1181 CG PRO A 75 17.378 0.127 -4.085 1.00 0.00 C ATOM 1182 CD PRO A 75 16.642 -0.968 -3.265 1.00 0.00 C ATOM 0 HA PRO A 75 16.475 1.587 -1.217 1.00 0.00 H new ATOM 0 HB2 PRO A 75 17.500 2.296 -3.696 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.424 1.332 -2.561 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.821 0.381 -4.987 1.00 0.00 H new ATOM 0 HG3 PRO A 75 18.361 -0.219 -4.404 1.00 0.00 H new ATOM 0 HD2 PRO A 75 15.973 -1.564 -3.886 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.337 -1.660 -2.789 1.00 0.00 H new ATOM 1190 N GLN A 76 14.975 3.295 -2.206 1.00 0.00 N ATOM 1191 CA GLN A 76 13.894 4.206 -2.672 1.00 0.00 C ATOM 1192 C GLN A 76 14.525 5.452 -3.298 1.00 0.00 C ATOM 1193 O GLN A 76 14.097 6.561 -3.060 1.00 0.00 O ATOM 1194 CB GLN A 76 13.022 4.617 -1.484 1.00 0.00 C ATOM 1195 CG GLN A 76 13.909 4.855 -0.260 1.00 0.00 C ATOM 1196 CD GLN A 76 13.050 5.350 0.906 1.00 0.00 C ATOM 1197 OE1 GLN A 76 12.832 6.536 1.055 1.00 0.00 O ATOM 1198 NE2 GLN A 76 12.547 4.485 1.744 1.00 0.00 N ATOM 0 H GLN A 76 15.549 3.659 -1.445 1.00 0.00 H new ATOM 0 HA GLN A 76 13.277 3.695 -3.411 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.464 5.522 -1.724 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.289 3.839 -1.270 1.00 0.00 H new ATOM 0 HG2 GLN A 76 14.420 3.933 0.017 1.00 0.00 H new ATOM 0 HG3 GLN A 76 14.680 5.589 -0.494 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.729 3.489 1.620 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.972 4.805 2.523 1.00 0.00 H new ATOM 1207 N GLN A 77 15.535 5.268 -4.105 1.00 0.00 N ATOM 1208 CA GLN A 77 16.205 6.428 -4.758 1.00 0.00 C ATOM 1209 C GLN A 77 17.593 5.995 -5.235 1.00 0.00 C ATOM 1210 O GLN A 77 18.263 5.211 -4.592 1.00 0.00 O ATOM 1211 CB GLN A 77 16.351 7.580 -3.759 1.00 0.00 C ATOM 1212 CG GLN A 77 16.795 7.030 -2.403 1.00 0.00 C ATOM 1213 CD GLN A 77 18.215 7.511 -2.097 1.00 0.00 C ATOM 1214 OE1 GLN A 77 18.720 8.404 -2.748 1.00 0.00 O ATOM 1215 NE2 GLN A 77 18.885 6.953 -1.126 1.00 0.00 N ATOM 0 H GLN A 77 15.927 4.356 -4.341 1.00 0.00 H new ATOM 0 HA GLN A 77 15.605 6.764 -5.604 1.00 0.00 H new ATOM 0 HB2 GLN A 77 17.080 8.303 -4.126 1.00 0.00 H new ATOM 0 HB3 GLN A 77 15.403 8.108 -3.656 1.00 0.00 H new ATOM 0 HG2 GLN A 77 16.111 7.362 -1.622 1.00 0.00 H new ATOM 0 HG3 GLN A 77 16.763 5.941 -2.412 1.00 0.00 H new ATOM 0 HE21 GLN A 77 18.462 6.203 -0.579 1.00 0.00 H new ATOM 0 HE22 GLN A 77 19.832 7.267 -0.914 1.00 0.00 H new ATOM 1224 N ASP A 78 18.035 6.496 -6.356 1.00 0.00 N ATOM 1225 CA ASP A 78 19.381 6.105 -6.862 1.00 0.00 C ATOM 1226 C ASP A 78 20.462 6.807 -6.017 1.00 0.00 C ATOM 1227 O ASP A 78 20.142 7.497 -5.069 1.00 0.00 O ATOM 1228 CB ASP A 78 19.488 6.482 -8.350 1.00 0.00 C ATOM 1229 CG ASP A 78 20.013 7.910 -8.509 1.00 0.00 C ATOM 1230 OD1 ASP A 78 19.369 8.814 -8.008 1.00 0.00 O ATOM 1231 OD2 ASP A 78 21.049 8.075 -9.131 1.00 0.00 O ATOM 0 H ASP A 78 17.524 7.157 -6.942 1.00 0.00 H new ATOM 0 HA ASP A 78 19.529 5.029 -6.773 1.00 0.00 H new ATOM 0 HB2 ASP A 78 20.154 5.786 -8.860 1.00 0.00 H new ATOM 0 HB3 ASP A 78 18.510 6.394 -8.824 1.00 0.00 H new ATOM 1236 N PRO A 79 21.706 6.591 -6.367 1.00 0.00 N ATOM 1237 CA PRO A 79 22.832 7.169 -5.637 1.00 0.00 C ATOM 1238 C PRO A 79 22.651 8.678 -5.427 1.00 0.00 C ATOM 1239 O PRO A 79 23.171 9.244 -4.487 1.00 0.00 O ATOM 1240 CB PRO A 79 24.041 6.886 -6.522 1.00 0.00 C ATOM 1241 CG PRO A 79 23.611 5.619 -7.322 1.00 0.00 C ATOM 1242 CD PRO A 79 22.075 5.756 -7.521 1.00 0.00 C ATOM 0 HA PRO A 79 22.933 6.743 -4.639 1.00 0.00 H new ATOM 0 HB2 PRO A 79 24.260 7.724 -7.183 1.00 0.00 H new ATOM 0 HB3 PRO A 79 24.938 6.703 -5.931 1.00 0.00 H new ATOM 0 HG2 PRO A 79 24.128 5.566 -8.280 1.00 0.00 H new ATOM 0 HG3 PRO A 79 23.856 4.708 -6.776 1.00 0.00 H new ATOM 0 HD2 PRO A 79 21.825 6.232 -8.469 1.00 0.00 H new ATOM 0 HD3 PRO A 79 21.571 4.790 -7.507 1.00 0.00 H new ATOM 1250 N GLU A 80 21.925 9.336 -6.288 1.00 0.00 N ATOM 1251 CA GLU A 80 21.728 10.804 -6.120 1.00 0.00 C ATOM 1252 C GLU A 80 20.488 11.054 -5.261 1.00 0.00 C ATOM 1253 O GLU A 80 20.580 11.491 -4.132 1.00 0.00 O ATOM 1254 CB GLU A 80 21.537 11.453 -7.492 1.00 0.00 C ATOM 1255 CG GLU A 80 21.615 12.975 -7.352 1.00 0.00 C ATOM 1256 CD GLU A 80 22.996 13.369 -6.825 1.00 0.00 C ATOM 1257 OE1 GLU A 80 23.914 13.443 -7.625 1.00 0.00 O ATOM 1258 OE2 GLU A 80 23.111 13.591 -5.631 1.00 0.00 O ATOM 0 H GLU A 80 21.461 8.923 -7.097 1.00 0.00 H new ATOM 0 HA GLU A 80 22.602 11.236 -5.633 1.00 0.00 H new ATOM 0 HB2 GLU A 80 22.303 11.101 -8.183 1.00 0.00 H new ATOM 0 HB3 GLU A 80 20.573 11.165 -7.912 1.00 0.00 H new ATOM 0 HG2 GLU A 80 21.433 13.449 -8.316 1.00 0.00 H new ATOM 0 HG3 GLU A 80 20.840 13.328 -6.672 1.00 0.00 H new ATOM 1265 N GLY A 81 19.329 10.777 -5.789 1.00 0.00 N ATOM 1266 CA GLY A 81 18.080 10.995 -5.006 1.00 0.00 C ATOM 1267 C GLY A 81 16.887 11.107 -5.956 1.00 0.00 C ATOM 1268 O GLY A 81 15.979 11.883 -5.738 1.00 0.00 O ATOM 0 H GLY A 81 19.192 10.409 -6.730 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.927 10.170 -4.311 1.00 0.00 H new ATOM 0 HA3 GLY A 81 18.168 11.903 -4.409 1.00 0.00 H new ATOM 1272 N ASN A 82 16.878 10.333 -7.009 1.00 0.00 N ATOM 1273 CA ASN A 82 15.737 10.394 -7.967 1.00 0.00 C ATOM 1274 C ASN A 82 14.607 9.500 -7.460 1.00 0.00 C ATOM 1275 O ASN A 82 13.661 9.218 -8.168 1.00 0.00 O ATOM 1276 CB ASN A 82 16.178 9.893 -9.348 1.00 0.00 C ATOM 1277 CG ASN A 82 17.691 10.052 -9.512 1.00 0.00 C ATOM 1278 OD1 ASN A 82 18.273 10.997 -9.018 1.00 0.00 O ATOM 1279 ND2 ASN A 82 18.355 9.156 -10.190 1.00 0.00 N ATOM 0 H ASN A 82 17.610 9.663 -7.246 1.00 0.00 H new ATOM 0 HA ASN A 82 15.398 11.427 -8.047 1.00 0.00 H new ATOM 0 HB2 ASN A 82 15.900 8.846 -9.468 1.00 0.00 H new ATOM 0 HB3 ASN A 82 15.660 10.452 -10.128 1.00 0.00 H new ATOM 0 HD21 ASN A 82 19.364 9.249 -10.306 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.865 8.363 -10.604 1.00 0.00 H new ATOM 1286 N LYS A 83 14.702 9.039 -6.242 1.00 0.00 N ATOM 1287 CA LYS A 83 13.642 8.152 -5.702 1.00 0.00 C ATOM 1288 C LYS A 83 13.556 6.906 -6.566 1.00 0.00 C ATOM 1289 O LYS A 83 13.814 6.939 -7.748 1.00 0.00 O ATOM 1290 CB LYS A 83 12.316 8.882 -5.710 1.00 0.00 C ATOM 1291 CG LYS A 83 12.290 9.836 -4.524 1.00 0.00 C ATOM 1292 CD LYS A 83 10.877 9.896 -3.951 1.00 0.00 C ATOM 1293 CE LYS A 83 10.307 11.304 -4.136 1.00 0.00 C ATOM 1294 NZ LYS A 83 9.968 11.881 -2.803 1.00 0.00 N ATOM 0 H LYS A 83 15.469 9.240 -5.601 1.00 0.00 H new ATOM 0 HA LYS A 83 13.881 7.868 -4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.191 9.432 -6.643 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.491 8.172 -5.645 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.990 9.501 -3.759 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.610 10.830 -4.836 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.240 9.166 -4.451 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.891 9.635 -2.893 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.033 11.938 -4.645 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.418 11.268 -4.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.580 12.838 -2.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.261 11.279 -2.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.826 11.928 -2.217 1.00 0.00 H new ATOM 1308 N THR A 84 13.219 5.801 -5.980 1.00 0.00 N ATOM 1309 CA THR A 84 13.141 4.544 -6.765 1.00 0.00 C ATOM 1310 C THR A 84 11.876 3.789 -6.374 1.00 0.00 C ATOM 1311 O THR A 84 11.631 3.531 -5.213 1.00 0.00 O ATOM 1312 CB THR A 84 14.375 3.695 -6.461 1.00 0.00 C ATOM 1313 OG1 THR A 84 15.513 4.538 -6.371 1.00 0.00 O ATOM 1314 CG2 THR A 84 14.597 2.680 -7.572 1.00 0.00 C ATOM 0 H THR A 84 12.993 5.711 -4.989 1.00 0.00 H new ATOM 0 HA THR A 84 13.108 4.765 -7.832 1.00 0.00 H new ATOM 0 HB THR A 84 14.222 3.170 -5.518 1.00 0.00 H new ATOM 0 HG1 THR A 84 16.311 4.042 -6.651 1.00 0.00 H new ATOM 0 HG21 THR A 84 15.479 2.080 -7.346 1.00 0.00 H new ATOM 0 HG22 THR A 84 13.726 2.030 -7.650 1.00 0.00 H new ATOM 0 HG23 THR A 84 14.746 3.202 -8.517 1.00 0.00 H new ATOM 1322 N MET A 85 11.065 3.440 -7.331 1.00 0.00 N ATOM 1323 CA MET A 85 9.808 2.711 -7.005 1.00 0.00 C ATOM 1324 C MET A 85 9.928 1.252 -7.439 1.00 0.00 C ATOM 1325 O MET A 85 10.977 0.797 -7.849 1.00 0.00 O ATOM 1326 CB MET A 85 8.620 3.383 -7.709 1.00 0.00 C ATOM 1327 CG MET A 85 8.527 2.907 -9.161 1.00 0.00 C ATOM 1328 SD MET A 85 7.004 3.537 -9.905 1.00 0.00 S ATOM 1329 CE MET A 85 6.129 1.954 -9.969 1.00 0.00 C ATOM 0 H MET A 85 11.216 3.627 -8.322 1.00 0.00 H new ATOM 0 HA MET A 85 9.641 2.743 -5.928 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.695 3.148 -7.182 1.00 0.00 H new ATOM 0 HB3 MET A 85 8.737 4.466 -7.681 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.392 3.256 -9.726 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.540 1.818 -9.199 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.054 2.133 -10.004 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.434 1.405 -10.860 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.370 1.369 -9.082 1.00 0.00 H new ATOM 1339 N VAL A 86 8.861 0.513 -7.339 1.00 0.00 N ATOM 1340 CA VAL A 86 8.912 -0.920 -7.731 1.00 0.00 C ATOM 1341 C VAL A 86 8.510 -1.084 -9.199 1.00 0.00 C ATOM 1342 O VAL A 86 7.859 -0.241 -9.781 1.00 0.00 O ATOM 1343 CB VAL A 86 7.945 -1.712 -6.849 1.00 0.00 C ATOM 1344 CG1 VAL A 86 7.925 -3.173 -7.297 1.00 0.00 C ATOM 1345 CG2 VAL A 86 8.406 -1.625 -5.393 1.00 0.00 C ATOM 0 H VAL A 86 7.955 0.840 -7.002 1.00 0.00 H new ATOM 0 HA VAL A 86 9.929 -1.291 -7.601 1.00 0.00 H new ATOM 0 HB VAL A 86 6.941 -1.296 -6.939 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.236 -3.737 -6.668 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.599 -3.231 -8.335 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.926 -3.595 -7.207 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.720 -2.188 -4.760 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.409 -2.043 -5.303 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.418 -0.582 -5.077 1.00 0.00 H new ATOM 1355 N ARG A 87 8.895 -2.179 -9.793 1.00 0.00 N ATOM 1356 CA ARG A 87 8.540 -2.444 -11.216 1.00 0.00 C ATOM 1357 C ARG A 87 8.346 -3.952 -11.379 1.00 0.00 C ATOM 1358 O ARG A 87 8.405 -4.695 -10.419 1.00 0.00 O ATOM 1359 CB ARG A 87 9.665 -1.979 -12.147 1.00 0.00 C ATOM 1360 CG ARG A 87 10.075 -0.547 -11.798 1.00 0.00 C ATOM 1361 CD ARG A 87 9.042 0.431 -12.360 1.00 0.00 C ATOM 1362 NE ARG A 87 9.730 1.666 -12.829 1.00 0.00 N ATOM 1363 CZ ARG A 87 9.506 2.120 -14.032 1.00 0.00 C ATOM 1364 NH1 ARG A 87 8.309 2.514 -14.368 1.00 0.00 N ATOM 1365 NH2 ARG A 87 10.480 2.182 -14.897 1.00 0.00 N ATOM 0 H ARG A 87 9.448 -2.911 -9.347 1.00 0.00 H new ATOM 0 HA ARG A 87 7.631 -1.901 -11.475 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.523 -2.645 -12.054 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.334 -2.029 -13.184 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.150 -0.432 -10.717 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.060 -0.329 -12.210 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.499 -0.031 -13.185 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.307 0.680 -11.594 1.00 0.00 H new ATOM 0 HE ARG A 87 10.376 2.157 -12.210 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.548 2.467 -13.691 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.134 2.869 -15.308 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.417 1.876 -14.633 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.305 2.537 -15.837 1.00 0.00 H new ATOM 1379 N PHE A 88 8.121 -4.420 -12.573 1.00 0.00 N ATOM 1380 CA PHE A 88 7.935 -5.886 -12.756 1.00 0.00 C ATOM 1381 C PHE A 88 8.506 -6.322 -14.104 1.00 0.00 C ATOM 1382 O PHE A 88 8.354 -5.651 -15.105 1.00 0.00 O ATOM 1383 CB PHE A 88 6.447 -6.231 -12.707 1.00 0.00 C ATOM 1384 CG PHE A 88 6.281 -7.725 -12.859 1.00 0.00 C ATOM 1385 CD1 PHE A 88 6.358 -8.312 -14.126 1.00 0.00 C ATOM 1386 CD2 PHE A 88 6.055 -8.521 -11.730 1.00 0.00 C ATOM 1387 CE1 PHE A 88 6.206 -9.697 -14.265 1.00 0.00 C ATOM 1388 CE2 PHE A 88 5.902 -9.905 -11.868 1.00 0.00 C ATOM 1389 CZ PHE A 88 5.979 -10.493 -13.136 1.00 0.00 C ATOM 0 H PHE A 88 8.058 -3.859 -13.422 1.00 0.00 H new ATOM 0 HA PHE A 88 8.458 -6.407 -11.954 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.015 -5.899 -11.763 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.914 -5.710 -13.503 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.535 -7.698 -14.996 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.999 -8.067 -10.752 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.264 -10.151 -15.243 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.725 -10.519 -10.997 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.863 -11.561 -13.243 1.00 0.00 H new ATOM 1399 N SER A 89 9.153 -7.453 -14.133 1.00 0.00 N ATOM 1400 CA SER A 89 9.725 -7.955 -15.410 1.00 0.00 C ATOM 1401 C SER A 89 9.083 -9.301 -15.742 1.00 0.00 C ATOM 1402 O SER A 89 8.948 -10.160 -14.892 1.00 0.00 O ATOM 1403 CB SER A 89 11.237 -8.132 -15.259 1.00 0.00 C ATOM 1404 OG SER A 89 11.879 -6.881 -15.468 1.00 0.00 O ATOM 0 H SER A 89 9.310 -8.053 -13.323 1.00 0.00 H new ATOM 0 HA SER A 89 9.527 -7.242 -16.211 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.473 -8.513 -14.265 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.602 -8.866 -15.977 1.00 0.00 H new ATOM 0 HG SER A 89 11.674 -6.279 -14.722 1.00 0.00 H new ATOM 1410 N ARG A 90 8.680 -9.493 -16.968 1.00 0.00 N ATOM 1411 CA ARG A 90 8.044 -10.784 -17.345 1.00 0.00 C ATOM 1412 C ARG A 90 9.126 -11.765 -17.792 1.00 0.00 C ATOM 1413 O ARG A 90 8.910 -12.959 -17.852 1.00 0.00 O ATOM 1414 CB ARG A 90 7.056 -10.554 -18.490 1.00 0.00 C ATOM 1415 CG ARG A 90 5.886 -9.702 -17.992 1.00 0.00 C ATOM 1416 CD ARG A 90 4.743 -9.761 -19.007 1.00 0.00 C ATOM 1417 NE ARG A 90 3.438 -9.749 -18.288 1.00 0.00 N ATOM 1418 CZ ARG A 90 2.344 -10.083 -18.916 1.00 0.00 C ATOM 1419 NH1 ARG A 90 2.296 -10.025 -20.218 1.00 0.00 N ATOM 1420 NH2 ARG A 90 1.297 -10.473 -18.241 1.00 0.00 N ATOM 0 H ARG A 90 8.764 -8.812 -17.723 1.00 0.00 H new ATOM 0 HA ARG A 90 7.510 -11.193 -16.487 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.555 -10.055 -19.321 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.690 -11.509 -18.866 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.545 -10.065 -17.023 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.208 -8.670 -17.851 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.803 -8.912 -19.688 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.828 -10.663 -19.614 1.00 0.00 H new ATOM 0 HE ARG A 90 3.400 -9.480 -17.305 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.114 -9.719 -20.745 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.441 -10.286 -20.709 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.334 -10.517 -17.223 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.442 -10.734 -18.732 1.00 0.00 H new ATOM 1434 N LYS A 91 10.294 -11.271 -18.098 1.00 0.00 N ATOM 1435 CA LYS A 91 11.392 -12.177 -18.529 1.00 0.00 C ATOM 1436 C LYS A 91 11.677 -13.177 -17.410 1.00 0.00 C ATOM 1437 O LYS A 91 12.171 -14.262 -17.642 1.00 0.00 O ATOM 1438 CB LYS A 91 12.651 -11.356 -18.811 1.00 0.00 C ATOM 1439 CG LYS A 91 12.588 -10.794 -20.232 1.00 0.00 C ATOM 1440 CD LYS A 91 11.463 -9.761 -20.324 1.00 0.00 C ATOM 1441 CE LYS A 91 11.723 -8.629 -19.329 1.00 0.00 C ATOM 1442 NZ LYS A 91 11.807 -7.334 -20.061 1.00 0.00 N ATOM 0 H LYS A 91 10.534 -10.280 -18.068 1.00 0.00 H new ATOM 0 HA LYS A 91 11.098 -12.708 -19.435 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.736 -10.542 -18.091 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.538 -11.979 -18.694 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.541 -10.334 -20.495 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.415 -11.600 -20.946 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.404 -9.362 -21.337 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.504 -10.233 -20.111 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.923 -8.590 -18.589 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.650 -8.813 -18.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.984 -6.564 -19.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.585 -7.375 -20.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.911 -7.158 -20.559 1.00 0.00 H new ATOM 1456 N THR A 92 11.371 -12.816 -16.193 1.00 0.00 N ATOM 1457 CA THR A 92 11.625 -13.743 -15.055 1.00 0.00 C ATOM 1458 C THR A 92 10.492 -13.623 -14.034 1.00 0.00 C ATOM 1459 O THR A 92 10.566 -14.159 -12.948 1.00 0.00 O ATOM 1460 CB THR A 92 12.951 -13.373 -14.389 1.00 0.00 C ATOM 1461 OG1 THR A 92 13.124 -11.964 -14.435 1.00 0.00 O ATOM 1462 CG2 THR A 92 14.103 -14.054 -15.128 1.00 0.00 C ATOM 0 H THR A 92 10.956 -11.919 -15.939 1.00 0.00 H new ATOM 0 HA THR A 92 11.673 -14.768 -15.423 1.00 0.00 H new ATOM 0 HB THR A 92 12.942 -13.705 -13.351 1.00 0.00 H new ATOM 0 HG1 THR A 92 14.080 -11.753 -14.472 1.00 0.00 H new ATOM 0 HG21 THR A 92 15.047 -13.789 -14.652 1.00 0.00 H new ATOM 0 HG22 THR A 92 13.969 -15.135 -15.093 1.00 0.00 H new ATOM 0 HG23 THR A 92 14.115 -13.724 -16.167 1.00 0.00 H new ATOM 1470 N LYS A 93 9.444 -12.923 -14.373 1.00 0.00 N ATOM 1471 CA LYS A 93 8.312 -12.770 -13.417 1.00 0.00 C ATOM 1472 C LYS A 93 8.860 -12.403 -12.037 1.00 0.00 C ATOM 1473 O LYS A 93 8.776 -13.174 -11.102 1.00 0.00 O ATOM 1474 CB LYS A 93 7.539 -14.088 -13.327 1.00 0.00 C ATOM 1475 CG LYS A 93 7.302 -14.640 -14.733 1.00 0.00 C ATOM 1476 CD LYS A 93 8.143 -15.903 -14.934 1.00 0.00 C ATOM 1477 CE LYS A 93 8.930 -15.790 -16.241 1.00 0.00 C ATOM 1478 NZ LYS A 93 9.756 -17.015 -16.431 1.00 0.00 N ATOM 0 H LYS A 93 9.323 -12.451 -15.269 1.00 0.00 H new ATOM 0 HA LYS A 93 7.644 -11.982 -13.765 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.098 -14.810 -12.732 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.586 -13.929 -12.822 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.245 -14.868 -14.872 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.568 -13.891 -15.479 1.00 0.00 H new ATOM 0 HD2 LYS A 93 8.827 -16.034 -14.096 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.498 -16.782 -14.960 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.246 -15.666 -17.080 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.569 -14.907 -16.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.291 -16.938 -17.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.418 -17.114 -15.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.136 -17.849 -16.471 1.00 0.00 H new ATOM 1492 N GLN A 94 9.425 -11.234 -11.900 1.00 0.00 N ATOM 1493 CA GLN A 94 9.979 -10.830 -10.575 1.00 0.00 C ATOM 1494 C GLN A 94 9.704 -9.344 -10.328 1.00 0.00 C ATOM 1495 O GLN A 94 9.054 -8.683 -11.114 1.00 0.00 O ATOM 1496 CB GLN A 94 11.489 -11.074 -10.556 1.00 0.00 C ATOM 1497 CG GLN A 94 11.760 -12.579 -10.530 1.00 0.00 C ATOM 1498 CD GLN A 94 13.226 -12.846 -10.885 1.00 0.00 C ATOM 1499 OE1 GLN A 94 13.876 -13.655 -10.254 1.00 0.00 O ATOM 1500 NE2 GLN A 94 13.776 -12.196 -11.874 1.00 0.00 N ATOM 0 H GLN A 94 9.527 -10.544 -12.644 1.00 0.00 H new ATOM 0 HA GLN A 94 9.502 -11.421 -9.793 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.952 -10.625 -11.435 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.935 -10.598 -9.683 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.536 -12.982 -9.542 1.00 0.00 H new ATOM 0 HG3 GLN A 94 11.106 -13.088 -11.238 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.230 -11.517 -12.404 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.752 -12.367 -12.117 1.00 0.00 H new ATOM 1509 N GLN A 95 10.197 -8.814 -9.240 1.00 0.00 N ATOM 1510 CA GLN A 95 9.969 -7.371 -8.940 1.00 0.00 C ATOM 1511 C GLN A 95 11.306 -6.627 -8.968 1.00 0.00 C ATOM 1512 O GLN A 95 12.242 -6.986 -8.283 1.00 0.00 O ATOM 1513 CB GLN A 95 9.341 -7.225 -7.551 1.00 0.00 C ATOM 1514 CG GLN A 95 8.303 -6.103 -7.578 1.00 0.00 C ATOM 1515 CD GLN A 95 7.066 -6.569 -8.345 1.00 0.00 C ATOM 1516 OE1 GLN A 95 7.108 -7.564 -9.042 1.00 0.00 O ATOM 1517 NE2 GLN A 95 5.958 -5.887 -8.245 1.00 0.00 N ATOM 0 H GLN A 95 10.748 -9.319 -8.546 1.00 0.00 H new ATOM 0 HA GLN A 95 9.298 -6.951 -9.689 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.872 -8.162 -7.252 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.112 -7.004 -6.813 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.029 -5.823 -6.561 1.00 0.00 H new ATOM 0 HG3 GLN A 95 8.724 -5.216 -8.051 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.924 -5.052 -7.660 1.00 0.00 H new ATOM 0 HE22 GLN A 95 5.126 -6.189 -8.752 1.00 0.00 H new ATOM 1526 N TYR A 96 11.400 -5.585 -9.749 1.00 0.00 N ATOM 1527 CA TYR A 96 12.673 -4.814 -9.813 1.00 0.00 C ATOM 1528 C TYR A 96 12.366 -3.325 -9.618 1.00 0.00 C ATOM 1529 O TYR A 96 11.437 -2.799 -10.191 1.00 0.00 O ATOM 1530 CB TYR A 96 13.347 -5.045 -11.172 1.00 0.00 C ATOM 1531 CG TYR A 96 12.691 -4.188 -12.232 1.00 0.00 C ATOM 1532 CD1 TYR A 96 13.025 -2.833 -12.339 1.00 0.00 C ATOM 1533 CD2 TYR A 96 11.755 -4.750 -13.108 1.00 0.00 C ATOM 1534 CE1 TYR A 96 12.422 -2.040 -13.321 1.00 0.00 C ATOM 1535 CE2 TYR A 96 11.151 -3.955 -14.090 1.00 0.00 C ATOM 1536 CZ TYR A 96 11.485 -2.600 -14.196 1.00 0.00 C ATOM 1537 OH TYR A 96 10.891 -1.817 -15.165 1.00 0.00 O ATOM 0 H TYR A 96 10.650 -5.235 -10.345 1.00 0.00 H new ATOM 0 HA TYR A 96 13.350 -5.147 -9.026 1.00 0.00 H new ATOM 0 HB2 TYR A 96 14.408 -4.805 -11.105 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.275 -6.097 -11.448 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.748 -2.400 -11.664 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.499 -5.796 -13.027 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.680 -0.995 -13.404 1.00 0.00 H new ATOM 0 HE2 TYR A 96 10.428 -4.387 -14.765 1.00 0.00 H new ATOM 0 HH TYR A 96 10.266 -2.362 -15.688 1.00 0.00 H new ATOM 1547 N VAL A 97 13.131 -2.640 -8.815 1.00 0.00 N ATOM 1548 CA VAL A 97 12.862 -1.188 -8.595 1.00 0.00 C ATOM 1549 C VAL A 97 13.623 -0.361 -9.628 1.00 0.00 C ATOM 1550 O VAL A 97 14.581 -0.815 -10.216 1.00 0.00 O ATOM 1551 CB VAL A 97 13.325 -0.786 -7.194 1.00 0.00 C ATOM 1552 CG1 VAL A 97 12.292 -1.238 -6.162 1.00 0.00 C ATOM 1553 CG2 VAL A 97 14.671 -1.448 -6.889 1.00 0.00 C ATOM 0 H VAL A 97 13.928 -3.019 -8.303 1.00 0.00 H new ATOM 0 HA VAL A 97 11.792 -1.005 -8.695 1.00 0.00 H new ATOM 0 HB VAL A 97 13.433 0.298 -7.148 1.00 0.00 H new ATOM 0 HG11 VAL A 97 12.624 -0.950 -5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.333 -0.765 -6.376 1.00 0.00 H new ATOM 0 HG13 VAL A 97 12.181 -2.321 -6.209 1.00 0.00 H new ATOM 0 HG21 VAL A 97 15.000 -1.161 -5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.563 -2.532 -6.938 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.410 -1.124 -7.622 1.00 0.00 H new ATOM 1563 N SER A 98 13.202 0.852 -9.852 1.00 0.00 N ATOM 1564 CA SER A 98 13.907 1.713 -10.841 1.00 0.00 C ATOM 1565 C SER A 98 13.751 3.181 -10.437 1.00 0.00 C ATOM 1566 O SER A 98 12.669 3.635 -10.119 1.00 0.00 O ATOM 1567 CB SER A 98 13.309 1.494 -12.231 1.00 0.00 C ATOM 1568 OG SER A 98 14.337 1.092 -13.125 1.00 0.00 O ATOM 0 H SER A 98 12.400 1.284 -9.393 1.00 0.00 H new ATOM 0 HA SER A 98 14.965 1.453 -10.862 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.530 0.733 -12.189 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.840 2.411 -12.587 1.00 0.00 H new ATOM 0 HG SER A 98 15.047 1.768 -13.133 1.00 0.00 H new ATOM 1574 N SER A 99 14.822 3.928 -10.447 1.00 0.00 N ATOM 1575 CA SER A 99 14.729 5.364 -10.065 1.00 0.00 C ATOM 1576 C SER A 99 13.780 6.080 -11.031 1.00 0.00 C ATOM 1577 O SER A 99 13.617 5.675 -12.165 1.00 0.00 O ATOM 1578 CB SER A 99 16.112 6.010 -10.149 1.00 0.00 C ATOM 1579 OG SER A 99 16.670 5.762 -11.432 1.00 0.00 O ATOM 0 H SER A 99 15.755 3.606 -10.703 1.00 0.00 H new ATOM 0 HA SER A 99 14.353 5.445 -9.045 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.036 7.083 -9.974 1.00 0.00 H new ATOM 0 HB3 SER A 99 16.762 5.606 -9.373 1.00 0.00 H new ATOM 0 HG SER A 99 16.220 6.322 -12.098 1.00 0.00 H new ATOM 1585 N GLU A 100 13.159 7.142 -10.599 1.00 0.00 N ATOM 1586 CA GLU A 100 12.230 7.879 -11.500 1.00 0.00 C ATOM 1587 C GLU A 100 12.212 9.358 -11.110 1.00 0.00 C ATOM 1588 O GLU A 100 12.004 9.704 -9.964 1.00 0.00 O ATOM 1589 CB GLU A 100 10.821 7.298 -11.369 1.00 0.00 C ATOM 1590 CG GLU A 100 10.621 6.201 -12.416 1.00 0.00 C ATOM 1591 CD GLU A 100 9.166 5.728 -12.389 1.00 0.00 C ATOM 1592 OE1 GLU A 100 8.542 5.854 -11.349 1.00 0.00 O ATOM 1593 OE2 GLU A 100 8.701 5.247 -13.410 1.00 0.00 O ATOM 0 H GLU A 100 13.255 7.531 -9.661 1.00 0.00 H new ATOM 0 HA GLU A 100 12.567 7.778 -12.532 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.676 6.891 -10.368 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.078 8.084 -11.504 1.00 0.00 H new ATOM 0 HG2 GLU A 100 10.873 6.579 -13.407 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.290 5.365 -12.214 1.00 0.00 H new ATOM 1600 N LYS A 101 12.429 10.235 -12.052 1.00 0.00 N ATOM 1601 CA LYS A 101 12.423 11.689 -11.730 1.00 0.00 C ATOM 1602 C LYS A 101 11.431 12.419 -12.635 1.00 0.00 C ATOM 1603 O LYS A 101 11.676 12.619 -13.807 1.00 0.00 O ATOM 1604 CB LYS A 101 13.813 12.261 -11.930 1.00 0.00 C ATOM 1605 CG LYS A 101 14.262 12.861 -10.604 1.00 0.00 C ATOM 1606 CD LYS A 101 14.960 14.189 -10.857 1.00 0.00 C ATOM 1607 CE LYS A 101 16.446 14.062 -10.521 1.00 0.00 C ATOM 1608 NZ LYS A 101 17.130 15.360 -10.791 1.00 0.00 N ATOM 0 H LYS A 101 12.610 10.007 -13.030 1.00 0.00 H new ATOM 0 HA LYS A 101 12.123 11.823 -10.691 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.505 11.482 -12.251 1.00 0.00 H new ATOM 0 HB3 LYS A 101 13.805 13.022 -12.711 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.402 13.009 -9.950 1.00 0.00 H new ATOM 0 HG3 LYS A 101 14.937 12.175 -10.093 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.837 14.483 -11.899 1.00 0.00 H new ATOM 0 HD3 LYS A 101 14.505 14.971 -10.249 1.00 0.00 H new ATOM 0 HE2 LYS A 101 16.571 13.784 -9.474 1.00 0.00 H new ATOM 0 HE3 LYS A 101 16.898 13.270 -11.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 18.141 15.274 -10.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 17.022 15.607 -11.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.705 16.105 -10.204 1.00 0.00 H new ATOM 1622 N ASP A 102 10.310 12.820 -12.101 1.00 0.00 N ATOM 1623 CA ASP A 102 9.302 13.537 -12.932 1.00 0.00 C ATOM 1624 C ASP A 102 8.705 12.571 -13.959 1.00 0.00 C ATOM 1625 O ASP A 102 7.962 12.965 -14.835 1.00 0.00 O ATOM 1626 CB ASP A 102 9.979 14.699 -13.661 1.00 0.00 C ATOM 1627 CG ASP A 102 8.987 15.853 -13.815 1.00 0.00 C ATOM 1628 OD1 ASP A 102 8.364 16.209 -12.828 1.00 0.00 O ATOM 1629 OD2 ASP A 102 8.868 16.363 -14.917 1.00 0.00 O ATOM 0 H ASP A 102 10.048 12.682 -11.125 1.00 0.00 H new ATOM 0 HA ASP A 102 8.509 13.920 -12.290 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.855 15.031 -13.104 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.329 14.373 -14.641 1.00 0.00 H new ATOM 1634 N GLY A 103 9.026 11.310 -13.858 1.00 0.00 N ATOM 1635 CA GLY A 103 8.478 10.323 -14.831 1.00 0.00 C ATOM 1636 C GLY A 103 9.424 10.215 -16.027 1.00 0.00 C ATOM 1637 O GLY A 103 9.048 9.761 -17.090 1.00 0.00 O ATOM 0 H GLY A 103 9.643 10.921 -13.145 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.364 9.350 -14.354 1.00 0.00 H new ATOM 0 HA3 GLY A 103 7.487 10.634 -15.163 1.00 0.00 H new ATOM 1641 N LYS A 104 10.649 10.631 -15.861 1.00 0.00 N ATOM 1642 CA LYS A 104 11.620 10.555 -16.987 1.00 0.00 C ATOM 1643 C LYS A 104 12.422 9.256 -16.885 1.00 0.00 C ATOM 1644 O LYS A 104 13.403 9.067 -17.577 1.00 0.00 O ATOM 1645 CB LYS A 104 12.575 11.752 -16.917 1.00 0.00 C ATOM 1646 CG LYS A 104 13.570 11.553 -15.771 1.00 0.00 C ATOM 1647 CD LYS A 104 14.441 12.803 -15.628 1.00 0.00 C ATOM 1648 CE LYS A 104 15.647 12.488 -14.742 1.00 0.00 C ATOM 1649 NZ LYS A 104 16.462 13.722 -14.554 1.00 0.00 N ATOM 0 H LYS A 104 11.019 11.020 -14.994 1.00 0.00 H new ATOM 0 HA LYS A 104 11.080 10.574 -17.934 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.110 11.858 -17.861 1.00 0.00 H new ATOM 0 HB3 LYS A 104 12.010 12.672 -16.765 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.036 11.361 -14.841 1.00 0.00 H new ATOM 0 HG3 LYS A 104 14.195 10.682 -15.965 1.00 0.00 H new ATOM 0 HD2 LYS A 104 14.776 13.140 -16.609 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.860 13.616 -15.193 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.313 12.109 -13.776 1.00 0.00 H new ATOM 0 HE3 LYS A 104 16.253 11.705 -15.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.282 13.508 -13.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 16.792 14.064 -15.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.881 14.456 -14.100 1.00 0.00 H new ATOM 1663 N ALA A 105 12.018 8.362 -16.026 1.00 0.00 N ATOM 1664 CA ALA A 105 12.766 7.081 -15.881 1.00 0.00 C ATOM 1665 C ALA A 105 14.264 7.382 -15.843 1.00 0.00 C ATOM 1666 O ALA A 105 14.976 7.171 -16.806 1.00 0.00 O ATOM 1667 CB ALA A 105 12.457 6.170 -17.070 1.00 0.00 C ATOM 0 H ALA A 105 11.204 8.462 -15.419 1.00 0.00 H new ATOM 0 HA ALA A 105 12.467 6.581 -14.960 1.00 0.00 H new ATOM 0 HB1 ALA A 105 13.005 5.234 -16.963 1.00 0.00 H new ATOM 0 HB2 ALA A 105 11.387 5.963 -17.102 1.00 0.00 H new ATOM 0 HB3 ALA A 105 12.759 6.663 -17.994 1.00 0.00 H new ATOM 1673 N THR A 106 14.746 7.882 -14.738 1.00 0.00 N ATOM 1674 CA THR A 106 16.195 8.209 -14.633 1.00 0.00 C ATOM 1675 C THR A 106 17.025 7.088 -15.262 1.00 0.00 C ATOM 1676 O THR A 106 17.986 7.336 -15.963 1.00 0.00 O ATOM 1677 CB THR A 106 16.568 8.367 -13.158 1.00 0.00 C ATOM 1678 OG1 THR A 106 15.646 7.642 -12.358 1.00 0.00 O ATOM 1679 CG2 THR A 106 16.521 9.848 -12.778 1.00 0.00 C ATOM 0 H THR A 106 14.196 8.078 -13.901 1.00 0.00 H new ATOM 0 HA THR A 106 16.400 9.140 -15.162 1.00 0.00 H new ATOM 0 HB THR A 106 17.574 7.981 -12.992 1.00 0.00 H new ATOM 0 HG1 THR A 106 15.193 8.256 -11.743 1.00 0.00 H new ATOM 0 HG21 THR A 106 16.787 9.963 -11.727 1.00 0.00 H new ATOM 0 HG22 THR A 106 17.228 10.404 -13.394 1.00 0.00 H new ATOM 0 HG23 THR A 106 15.515 10.234 -12.942 1.00 0.00 H new ATOM 1687 N GLY A 107 16.663 5.857 -15.024 1.00 0.00 N ATOM 1688 CA GLY A 107 17.435 4.729 -15.619 1.00 0.00 C ATOM 1689 C GLY A 107 17.775 3.703 -14.538 1.00 0.00 C ATOM 1690 O GLY A 107 17.735 2.511 -14.769 1.00 0.00 O ATOM 0 H GLY A 107 15.869 5.584 -14.445 1.00 0.00 H new ATOM 0 HA2 GLY A 107 16.853 4.257 -16.411 1.00 0.00 H new ATOM 0 HA3 GLY A 107 18.350 5.105 -16.077 1.00 0.00 H new ATOM 1694 N TRP A 108 18.112 4.151 -13.360 1.00 0.00 N ATOM 1695 CA TRP A 108 18.457 3.189 -12.274 1.00 0.00 C ATOM 1696 C TRP A 108 17.411 2.075 -12.233 1.00 0.00 C ATOM 1697 O TRP A 108 16.225 2.320 -12.341 1.00 0.00 O ATOM 1698 CB TRP A 108 18.479 3.918 -10.928 1.00 0.00 C ATOM 1699 CG TRP A 108 19.266 3.114 -9.945 1.00 0.00 C ATOM 1700 CD1 TRP A 108 20.609 3.160 -9.801 1.00 0.00 C ATOM 1701 CD2 TRP A 108 18.782 2.144 -8.971 1.00 0.00 C ATOM 1702 NE1 TRP A 108 20.983 2.281 -8.802 1.00 0.00 N ATOM 1703 CE2 TRP A 108 19.893 1.631 -8.260 1.00 0.00 C ATOM 1704 CE3 TRP A 108 17.501 1.662 -8.639 1.00 0.00 C ATOM 1705 CZ2 TRP A 108 19.739 0.676 -7.255 1.00 0.00 C ATOM 1706 CZ3 TRP A 108 17.345 0.702 -7.629 1.00 0.00 C ATOM 1707 CH2 TRP A 108 18.460 0.210 -6.939 1.00 0.00 C ATOM 0 H TRP A 108 18.164 5.137 -13.103 1.00 0.00 H new ATOM 0 HA TRP A 108 19.440 2.761 -12.468 1.00 0.00 H new ATOM 0 HB2 TRP A 108 18.922 4.907 -11.044 1.00 0.00 H new ATOM 0 HB3 TRP A 108 17.462 4.065 -10.564 1.00 0.00 H new ATOM 0 HD1 TRP A 108 21.281 3.782 -10.373 1.00 0.00 H new ATOM 0 HE1 TRP A 108 21.946 2.131 -8.502 1.00 0.00 H new ATOM 0 HE3 TRP A 108 16.634 2.034 -9.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 20.602 0.300 -6.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 16.358 0.339 -7.381 1.00 0.00 H new ATOM 0 HH2 TRP A 108 18.331 -0.530 -6.163 1.00 0.00 H new ATOM 1718 N SER A 109 17.838 0.851 -12.081 1.00 0.00 N ATOM 1719 CA SER A 109 16.862 -0.274 -12.036 1.00 0.00 C ATOM 1720 C SER A 109 17.474 -1.462 -11.288 1.00 0.00 C ATOM 1721 O SER A 109 18.229 -2.234 -11.845 1.00 0.00 O ATOM 1722 CB SER A 109 16.515 -0.702 -13.462 1.00 0.00 C ATOM 1723 OG SER A 109 17.690 -1.171 -14.111 1.00 0.00 O ATOM 0 H SER A 109 18.817 0.582 -11.986 1.00 0.00 H new ATOM 0 HA SER A 109 15.960 0.054 -11.519 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.758 -1.486 -13.445 1.00 0.00 H new ATOM 0 HB3 SER A 109 16.092 0.138 -14.013 1.00 0.00 H new ATOM 0 HG SER A 109 18.103 -1.876 -13.570 1.00 0.00 H new ATOM 1729 N ALA A 110 17.150 -1.620 -10.033 1.00 0.00 N ATOM 1730 CA ALA A 110 17.708 -2.764 -9.259 1.00 0.00 C ATOM 1731 C ALA A 110 16.781 -3.969 -9.404 1.00 0.00 C ATOM 1732 O ALA A 110 15.606 -3.829 -9.680 1.00 0.00 O ATOM 1733 CB ALA A 110 17.815 -2.384 -7.781 1.00 0.00 C ATOM 0 H ALA A 110 16.524 -1.007 -9.511 1.00 0.00 H new ATOM 0 HA ALA A 110 18.699 -3.011 -9.641 1.00 0.00 H new ATOM 0 HB1 ALA A 110 18.224 -3.223 -7.218 1.00 0.00 H new ATOM 0 HB2 ALA A 110 18.472 -1.521 -7.674 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.826 -2.137 -7.396 1.00 0.00 H new ATOM 1739 N PHE A 111 17.298 -5.152 -9.227 1.00 0.00 N ATOM 1740 CA PHE A 111 16.441 -6.361 -9.361 1.00 0.00 C ATOM 1741 C PHE A 111 16.451 -7.154 -8.056 1.00 0.00 C ATOM 1742 O PHE A 111 17.478 -7.351 -7.441 1.00 0.00 O ATOM 1743 CB PHE A 111 16.968 -7.245 -10.495 1.00 0.00 C ATOM 1744 CG PHE A 111 17.175 -6.413 -11.735 1.00 0.00 C ATOM 1745 CD1 PHE A 111 18.324 -5.625 -11.863 1.00 0.00 C ATOM 1746 CD2 PHE A 111 16.222 -6.435 -12.759 1.00 0.00 C ATOM 1747 CE1 PHE A 111 18.521 -4.857 -13.015 1.00 0.00 C ATOM 1748 CE2 PHE A 111 16.419 -5.667 -13.912 1.00 0.00 C ATOM 1749 CZ PHE A 111 17.569 -4.879 -14.039 1.00 0.00 C ATOM 0 H PHE A 111 18.275 -5.334 -8.996 1.00 0.00 H new ATOM 0 HA PHE A 111 15.421 -6.048 -9.586 1.00 0.00 H new ATOM 0 HB2 PHE A 111 17.907 -7.712 -10.198 1.00 0.00 H new ATOM 0 HB3 PHE A 111 16.262 -8.050 -10.699 1.00 0.00 H new ATOM 0 HD1 PHE A 111 19.059 -5.610 -11.072 1.00 0.00 H new ATOM 0 HD2 PHE A 111 15.336 -7.044 -12.660 1.00 0.00 H new ATOM 0 HE1 PHE A 111 19.407 -4.248 -13.114 1.00 0.00 H new ATOM 0 HE2 PHE A 111 15.684 -5.682 -14.703 1.00 0.00 H new ATOM 0 HZ PHE A 111 17.721 -4.287 -14.929 1.00 0.00 H new ATOM 1759 N TYR A 112 15.310 -7.618 -7.632 1.00 0.00 N ATOM 1760 CA TYR A 112 15.250 -8.405 -6.372 1.00 0.00 C ATOM 1761 C TYR A 112 15.524 -9.876 -6.683 1.00 0.00 C ATOM 1762 O TYR A 112 14.672 -10.581 -7.186 1.00 0.00 O ATOM 1763 CB TYR A 112 13.857 -8.267 -5.755 1.00 0.00 C ATOM 1764 CG TYR A 112 13.900 -8.708 -4.312 1.00 0.00 C ATOM 1765 CD1 TYR A 112 14.900 -8.221 -3.463 1.00 0.00 C ATOM 1766 CD2 TYR A 112 12.941 -9.603 -3.825 1.00 0.00 C ATOM 1767 CE1 TYR A 112 14.941 -8.626 -2.125 1.00 0.00 C ATOM 1768 CE2 TYR A 112 12.983 -10.009 -2.485 1.00 0.00 C ATOM 1769 CZ TYR A 112 13.983 -9.520 -1.636 1.00 0.00 C ATOM 1770 OH TYR A 112 14.023 -9.921 -0.317 1.00 0.00 O ATOM 0 H TYR A 112 14.416 -7.486 -8.105 1.00 0.00 H new ATOM 0 HA TYR A 112 15.998 -8.034 -5.671 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.519 -7.233 -5.820 1.00 0.00 H new ATOM 0 HB3 TYR A 112 13.140 -8.872 -6.310 1.00 0.00 H new ATOM 0 HD1 TYR A 112 15.641 -7.532 -3.841 1.00 0.00 H new ATOM 0 HD2 TYR A 112 12.170 -9.980 -4.481 1.00 0.00 H new ATOM 0 HE1 TYR A 112 15.712 -8.249 -1.470 1.00 0.00 H new ATOM 0 HE2 TYR A 112 12.244 -10.699 -2.107 1.00 0.00 H new ATOM 0 HH TYR A 112 13.936 -9.138 0.266 1.00 0.00 H new ATOM 1780 N VAL A 113 16.702 -10.352 -6.384 1.00 0.00 N ATOM 1781 CA VAL A 113 17.011 -11.775 -6.660 1.00 0.00 C ATOM 1782 C VAL A 113 16.620 -12.595 -5.430 1.00 0.00 C ATOM 1783 O VAL A 113 15.651 -12.292 -4.773 1.00 0.00 O ATOM 1784 CB VAL A 113 18.507 -11.934 -6.961 1.00 0.00 C ATOM 1785 CG1 VAL A 113 18.729 -13.214 -7.768 1.00 0.00 C ATOM 1786 CG2 VAL A 113 18.998 -10.736 -7.784 1.00 0.00 C ATOM 0 H VAL A 113 17.459 -9.815 -5.962 1.00 0.00 H new ATOM 0 HA VAL A 113 16.453 -12.125 -7.528 1.00 0.00 H new ATOM 0 HB VAL A 113 19.058 -11.985 -6.022 1.00 0.00 H new ATOM 0 HG11 VAL A 113 19.791 -13.329 -7.983 1.00 0.00 H new ATOM 0 HG12 VAL A 113 18.380 -14.072 -7.193 1.00 0.00 H new ATOM 0 HG13 VAL A 113 18.174 -13.155 -8.704 1.00 0.00 H new ATOM 0 HG21 VAL A 113 20.061 -10.852 -7.996 1.00 0.00 H new ATOM 0 HG22 VAL A 113 18.444 -10.687 -8.721 1.00 0.00 H new ATOM 0 HG23 VAL A 113 18.839 -9.817 -7.220 1.00 0.00 H new ATOM 1796 N ASP A 114 17.372 -13.598 -5.085 1.00 0.00 N ATOM 1797 CA ASP A 114 17.022 -14.400 -3.876 1.00 0.00 C ATOM 1798 C ASP A 114 17.250 -13.503 -2.680 1.00 0.00 C ATOM 1799 O ASP A 114 18.327 -13.473 -2.119 1.00 0.00 O ATOM 1800 CB ASP A 114 17.927 -15.632 -3.785 1.00 0.00 C ATOM 1801 CG ASP A 114 19.391 -15.197 -3.859 1.00 0.00 C ATOM 1802 OD1 ASP A 114 19.882 -15.024 -4.962 1.00 0.00 O ATOM 1803 OD2 ASP A 114 19.997 -15.043 -2.811 1.00 0.00 O ATOM 0 H ASP A 114 18.210 -13.899 -5.582 1.00 0.00 H new ATOM 0 HA ASP A 114 15.989 -14.745 -3.919 1.00 0.00 H new ATOM 0 HB2 ASP A 114 17.742 -16.164 -2.852 1.00 0.00 H new ATOM 0 HB3 ASP A 114 17.701 -16.323 -4.597 1.00 0.00 H new ATOM 1808 N GLY A 115 16.273 -12.711 -2.321 1.00 0.00 N ATOM 1809 CA GLY A 115 16.501 -11.757 -1.211 1.00 0.00 C ATOM 1810 C GLY A 115 17.809 -11.051 -1.549 1.00 0.00 C ATOM 1811 O GLY A 115 18.552 -10.624 -0.687 1.00 0.00 O ATOM 0 H GLY A 115 15.345 -12.687 -2.744 1.00 0.00 H new ATOM 0 HA2 GLY A 115 15.680 -11.045 -1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.570 -12.276 -0.255 1.00 0.00 H new ATOM 1815 N LYS A 116 18.113 -10.982 -2.829 1.00 0.00 N ATOM 1816 CA LYS A 116 19.396 -10.368 -3.258 1.00 0.00 C ATOM 1817 C LYS A 116 19.164 -9.222 -4.245 1.00 0.00 C ATOM 1818 O LYS A 116 19.366 -9.373 -5.431 1.00 0.00 O ATOM 1819 CB LYS A 116 20.255 -11.438 -3.936 1.00 0.00 C ATOM 1820 CG LYS A 116 21.461 -11.761 -3.052 1.00 0.00 C ATOM 1821 CD LYS A 116 20.983 -12.122 -1.643 1.00 0.00 C ATOM 1822 CE LYS A 116 21.548 -11.117 -0.639 1.00 0.00 C ATOM 1823 NZ LYS A 116 22.762 -11.690 0.009 1.00 0.00 N ATOM 0 H LYS A 116 17.523 -11.326 -3.586 1.00 0.00 H new ATOM 0 HA LYS A 116 19.897 -9.967 -2.377 1.00 0.00 H new ATOM 0 HB2 LYS A 116 19.665 -12.338 -4.107 1.00 0.00 H new ATOM 0 HB3 LYS A 116 20.590 -11.086 -4.912 1.00 0.00 H new ATOM 0 HG2 LYS A 116 22.026 -12.590 -3.479 1.00 0.00 H new ATOM 0 HG3 LYS A 116 22.134 -10.905 -3.010 1.00 0.00 H new ATOM 0 HD2 LYS A 116 19.894 -12.117 -1.605 1.00 0.00 H new ATOM 0 HD3 LYS A 116 21.306 -13.131 -1.385 1.00 0.00 H new ATOM 0 HE2 LYS A 116 21.798 -10.184 -1.144 1.00 0.00 H new ATOM 0 HE3 LYS A 116 20.798 -10.880 0.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 23.146 -11.006 0.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 22.509 -12.569 0.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 23.479 -11.895 -0.716 1.00 0.00 H new ATOM 1837 N TRP A 117 18.766 -8.071 -3.776 1.00 0.00 N ATOM 1838 CA TRP A 117 18.561 -6.937 -4.719 1.00 0.00 C ATOM 1839 C TRP A 117 19.828 -6.768 -5.562 1.00 0.00 C ATOM 1840 O TRP A 117 20.891 -7.234 -5.198 1.00 0.00 O ATOM 1841 CB TRP A 117 18.296 -5.654 -3.934 1.00 0.00 C ATOM 1842 CG TRP A 117 16.835 -5.548 -3.640 1.00 0.00 C ATOM 1843 CD1 TRP A 117 16.282 -5.670 -2.412 1.00 0.00 C ATOM 1844 CD2 TRP A 117 15.734 -5.304 -4.563 1.00 0.00 C ATOM 1845 NE1 TRP A 117 14.913 -5.519 -2.520 1.00 0.00 N ATOM 1846 CE2 TRP A 117 14.525 -5.288 -3.826 1.00 0.00 C ATOM 1847 CE3 TRP A 117 15.664 -5.096 -5.955 1.00 0.00 C ATOM 1848 CZ2 TRP A 117 13.294 -5.073 -4.445 1.00 0.00 C ATOM 1849 CZ3 TRP A 117 14.429 -4.879 -6.578 1.00 0.00 C ATOM 1850 CH2 TRP A 117 13.245 -4.866 -5.827 1.00 0.00 C ATOM 0 H TRP A 117 18.576 -7.869 -2.794 1.00 0.00 H new ATOM 0 HA TRP A 117 17.706 -7.141 -5.364 1.00 0.00 H new ATOM 0 HB2 TRP A 117 18.866 -5.658 -3.005 1.00 0.00 H new ATOM 0 HB3 TRP A 117 18.627 -4.788 -4.507 1.00 0.00 H new ATOM 0 HD1 TRP A 117 16.823 -5.855 -1.496 1.00 0.00 H new ATOM 0 HE1 TRP A 117 14.267 -5.572 -1.732 1.00 0.00 H new ATOM 0 HE3 TRP A 117 16.569 -5.104 -6.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 12.385 -5.066 -3.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 14.388 -4.720 -7.646 1.00 0.00 H new ATOM 0 HH2 TRP A 117 12.297 -4.696 -6.315 1.00 0.00 H new ATOM 1861 N VAL A 118 19.732 -6.114 -6.686 1.00 0.00 N ATOM 1862 CA VAL A 118 20.938 -5.930 -7.544 1.00 0.00 C ATOM 1863 C VAL A 118 20.814 -4.619 -8.322 1.00 0.00 C ATOM 1864 O VAL A 118 19.883 -3.862 -8.136 1.00 0.00 O ATOM 1865 CB VAL A 118 21.058 -7.098 -8.532 1.00 0.00 C ATOM 1866 CG1 VAL A 118 21.989 -8.162 -7.959 1.00 0.00 C ATOM 1867 CG2 VAL A 118 19.685 -7.721 -8.769 1.00 0.00 C ATOM 0 H VAL A 118 18.873 -5.699 -7.048 1.00 0.00 H new ATOM 0 HA VAL A 118 21.826 -5.900 -6.912 1.00 0.00 H new ATOM 0 HB VAL A 118 21.458 -6.723 -9.474 1.00 0.00 H new ATOM 0 HG11 VAL A 118 22.072 -8.990 -8.663 1.00 0.00 H new ATOM 0 HG12 VAL A 118 22.975 -7.730 -7.789 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.586 -8.528 -7.015 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.778 -8.549 -9.471 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.285 -8.089 -7.824 1.00 0.00 H new ATOM 0 HG23 VAL A 118 19.011 -6.970 -9.181 1.00 0.00 H new ATOM 1877 N GLU A 119 21.747 -4.345 -9.192 1.00 0.00 N ATOM 1878 CA GLU A 119 21.682 -3.083 -9.982 1.00 0.00 C ATOM 1879 C GLU A 119 22.113 -3.361 -11.424 1.00 0.00 C ATOM 1880 O GLU A 119 23.200 -3.845 -11.674 1.00 0.00 O ATOM 1881 CB GLU A 119 22.619 -2.044 -9.361 1.00 0.00 C ATOM 1882 CG GLU A 119 22.003 -1.509 -8.065 1.00 0.00 C ATOM 1883 CD GLU A 119 22.992 -0.563 -7.384 1.00 0.00 C ATOM 1884 OE1 GLU A 119 23.586 0.245 -8.080 1.00 0.00 O ATOM 1885 OE2 GLU A 119 23.139 -0.660 -6.176 1.00 0.00 O ATOM 0 H GLU A 119 22.551 -4.940 -9.390 1.00 0.00 H new ATOM 0 HA GLU A 119 20.661 -2.702 -9.975 1.00 0.00 H new ATOM 0 HB2 GLU A 119 23.591 -2.492 -9.156 1.00 0.00 H new ATOM 0 HB3 GLU A 119 22.787 -1.226 -10.061 1.00 0.00 H new ATOM 0 HG2 GLU A 119 21.072 -0.985 -8.281 1.00 0.00 H new ATOM 0 HG3 GLU A 119 21.756 -2.336 -7.399 1.00 0.00 H new ATOM 1892 N GLY A 120 21.272 -3.058 -12.374 1.00 0.00 N ATOM 1893 CA GLY A 120 21.635 -3.307 -13.798 1.00 0.00 C ATOM 1894 C GLY A 120 21.623 -1.985 -14.567 1.00 0.00 C ATOM 1895 O GLY A 120 20.668 -1.659 -15.245 1.00 0.00 O ATOM 0 H GLY A 120 20.349 -2.649 -12.226 1.00 0.00 H new ATOM 0 HA2 GLY A 120 22.622 -3.766 -13.858 1.00 0.00 H new ATOM 0 HA3 GLY A 120 20.930 -4.007 -14.247 1.00 0.00 H new ATOM 1899 N LYS A 121 22.676 -1.221 -14.470 1.00 0.00 N ATOM 1900 CA LYS A 121 22.725 0.078 -15.198 1.00 0.00 C ATOM 1901 C LYS A 121 22.201 -0.113 -16.622 1.00 0.00 C ATOM 1902 O LYS A 121 22.484 -1.102 -17.269 1.00 0.00 O ATOM 1903 CB LYS A 121 24.169 0.580 -15.249 1.00 0.00 C ATOM 1904 CG LYS A 121 24.207 2.070 -14.904 1.00 0.00 C ATOM 1905 CD LYS A 121 24.949 2.830 -16.005 1.00 0.00 C ATOM 1906 CE LYS A 121 25.340 4.218 -15.493 1.00 0.00 C ATOM 1907 NZ LYS A 121 24.148 4.880 -14.891 1.00 0.00 N ATOM 0 H LYS A 121 23.505 -1.440 -13.918 1.00 0.00 H new ATOM 0 HA LYS A 121 22.104 0.808 -14.678 1.00 0.00 H new ATOM 0 HB2 LYS A 121 24.785 0.018 -14.547 1.00 0.00 H new ATOM 0 HB3 LYS A 121 24.587 0.416 -16.242 1.00 0.00 H new ATOM 0 HG2 LYS A 121 23.193 2.456 -14.801 1.00 0.00 H new ATOM 0 HG3 LYS A 121 24.704 2.220 -13.946 1.00 0.00 H new ATOM 0 HD2 LYS A 121 25.839 2.278 -16.306 1.00 0.00 H new ATOM 0 HD3 LYS A 121 24.317 2.921 -16.888 1.00 0.00 H new ATOM 0 HE2 LYS A 121 26.135 4.133 -14.752 1.00 0.00 H new ATOM 0 HE3 LYS A 121 25.730 4.823 -16.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 24.317 5.904 -14.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 23.315 4.706 -15.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 23.979 4.493 -13.941 1.00 0.00 H new ATOM 1921 N LYS A 122 21.439 0.822 -17.116 1.00 0.00 N ATOM 1922 CA LYS A 122 20.898 0.693 -18.499 1.00 0.00 C ATOM 1923 C LYS A 122 19.888 1.812 -18.759 1.00 0.00 C ATOM 1924 O LYS A 122 19.867 2.316 -19.870 1.00 0.00 O ATOM 1925 CB LYS A 122 20.206 -0.664 -18.650 1.00 0.00 C ATOM 1926 CG LYS A 122 21.058 -1.575 -19.536 1.00 0.00 C ATOM 1927 CD LYS A 122 20.317 -1.852 -20.846 1.00 0.00 C ATOM 1928 CE LYS A 122 19.612 -3.207 -20.759 1.00 0.00 C ATOM 1929 NZ LYS A 122 18.301 -3.041 -20.072 1.00 0.00 N ATOM 1930 OXT LYS A 122 19.154 2.146 -17.843 1.00 0.00 O ATOM 0 H LYS A 122 21.167 1.672 -16.622 1.00 0.00 H new ATOM 0 HA LYS A 122 21.715 0.768 -19.217 1.00 0.00 H new ATOM 0 HB2 LYS A 122 20.062 -1.122 -17.671 1.00 0.00 H new ATOM 0 HB3 LYS A 122 19.217 -0.533 -19.089 1.00 0.00 H new ATOM 0 HG2 LYS A 122 22.019 -1.104 -19.742 1.00 0.00 H new ATOM 0 HG3 LYS A 122 21.266 -2.512 -19.019 1.00 0.00 H new ATOM 0 HD2 LYS A 122 19.589 -1.064 -21.038 1.00 0.00 H new ATOM 0 HD3 LYS A 122 21.018 -1.848 -21.680 1.00 0.00 H new ATOM 0 HE2 LYS A 122 19.462 -3.616 -21.758 1.00 0.00 H new ATOM 0 HE3 LYS A 122 20.233 -3.918 -20.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 17.821 -3.962 -20.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 18.456 -2.669 -19.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 17.709 -2.376 -20.610 1.00 0.00 H new TER 1944 LYS A 122