USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 926 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 44 CYS SG : rot 160:sc= -0.235 USER MOD Set 1.2: A 68 ASN : amide:sc= -6.83! C(o=-7.1!,f=-14!) USER MOD Set 2.1: A 25 TYR OH : rot 54:sc= 1.32 USER MOD Set 2.2: A 48 HIS : no HE2:sc= -2.8 K(o=-1.5,f=-4.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot -140:sc= 0.516 USER MOD Single : A 19 GLN : amide:sc= -0.0777 K(o=-0.078,f=-0.77) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 21 GLN : amide:sc= -0.494 K(o=-0.49,f=-2.1!) USER MOD Single : A 22 THR OG1 : rot -12:sc= 0.342 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.0757 K(o=-0.076,f=-1.8!) USER MOD Single : A 31 THR OG1 : rot 79:sc= 1.1 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0123 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -80:sc= 0.12 USER MOD Single : A 39 SER OG : rot 180:sc= -0.108 USER MOD Single : A 56 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.36) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -6.28! C(o=-6.3!,f=-5!) USER MOD Single : A 69 ASN : amide:sc= -3.94! C(o=-3.9!,f=-6.7!) USER MOD Single : A 70 GLN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 166:sc= -0.442 (180deg=-1.08) USER MOD Single : A 93 SER OG : rot 170:sc= -0.974 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ -150:sc= -0.53 (180deg=-1.7!) USER MOD Single : A 101 SER OG : rot -34:sc= 1.14 USER MOD Single : A 102 MET CE :methyl 177:sc= -2.95! (180deg=-3.25!) USER MOD Single : A 104 MET CE :methyl -149:sc= 0 (180deg=-0.0133) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.997 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.264 -17.250 -1.276 1.00 0.00 N ATOM 2 CA GLY A 1 -6.383 -18.303 -0.805 1.00 0.00 C ATOM 3 C GLY A 1 -7.101 -19.628 -0.638 1.00 0.00 C ATOM 4 O GLY A 1 -7.775 -20.097 -1.556 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.726 -16.365 -1.374 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.662 -17.517 -2.199 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.036 -17.112 -0.593 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.560 -18.426 -1.509 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.946 -18.007 0.149 1.00 0.00 H new ATOM 8 N SER A 2 -6.956 -20.234 0.536 1.00 0.00 N ATOM 9 CA SER A 2 -7.591 -21.516 0.818 1.00 0.00 C ATOM 10 C SER A 2 -7.697 -21.751 2.322 1.00 0.00 C ATOM 11 O SER A 2 -7.233 -20.939 3.122 1.00 0.00 O ATOM 12 CB SER A 2 -6.803 -22.654 0.167 1.00 0.00 C ATOM 13 OG SER A 2 -5.628 -22.947 0.903 1.00 0.00 O ATOM 0 H SER A 2 -6.404 -19.858 1.307 1.00 0.00 H new ATOM 0 HA SER A 2 -8.597 -21.495 0.399 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.428 -23.545 0.105 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.537 -22.379 -0.854 1.00 0.00 H new ATOM 0 HG SER A 2 -5.143 -23.679 0.467 1.00 0.00 H new ATOM 19 N SER A 3 -8.311 -22.868 2.698 1.00 0.00 N ATOM 20 CA SER A 3 -8.482 -23.209 4.106 1.00 0.00 C ATOM 21 C SER A 3 -7.190 -22.974 4.882 1.00 0.00 C ATOM 22 O SER A 3 -6.217 -23.711 4.727 1.00 0.00 O ATOM 23 CB SER A 3 -8.919 -24.668 4.249 1.00 0.00 C ATOM 24 OG SER A 3 -9.531 -24.896 5.507 1.00 0.00 O ATOM 0 H SER A 3 -8.698 -23.552 2.048 1.00 0.00 H new ATOM 0 HA SER A 3 -9.256 -22.563 4.520 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.616 -24.922 3.451 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.055 -25.322 4.138 1.00 0.00 H new ATOM 0 HG SER A 3 -9.803 -25.835 5.573 1.00 0.00 H new ATOM 30 N GLY A 4 -7.190 -21.942 5.720 1.00 0.00 N ATOM 31 CA GLY A 4 -6.013 -21.627 6.509 1.00 0.00 C ATOM 32 C GLY A 4 -5.548 -20.198 6.313 1.00 0.00 C ATOM 33 O GLY A 4 -4.939 -19.870 5.295 1.00 0.00 O ATOM 0 H GLY A 4 -7.984 -21.318 5.867 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.232 -21.793 7.564 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.206 -22.308 6.240 1.00 0.00 H new ATOM 37 N SER A 5 -5.838 -19.344 7.289 1.00 0.00 N ATOM 38 CA SER A 5 -5.451 -17.940 7.217 1.00 0.00 C ATOM 39 C SER A 5 -4.061 -17.728 7.809 1.00 0.00 C ATOM 40 O SER A 5 -3.902 -17.618 9.025 1.00 0.00 O ATOM 41 CB SER A 5 -6.470 -17.069 7.954 1.00 0.00 C ATOM 42 OG SER A 5 -7.675 -16.959 7.217 1.00 0.00 O ATOM 0 H SER A 5 -6.340 -19.600 8.139 1.00 0.00 H new ATOM 0 HA SER A 5 -5.428 -17.649 6.167 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.678 -17.498 8.934 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.051 -16.077 8.122 1.00 0.00 H new ATOM 0 HG SER A 5 -8.310 -16.399 7.710 1.00 0.00 H new ATOM 48 N SER A 6 -3.056 -17.672 6.941 1.00 0.00 N ATOM 49 CA SER A 6 -1.679 -17.478 7.377 1.00 0.00 C ATOM 50 C SER A 6 -0.852 -16.807 6.284 1.00 0.00 C ATOM 51 O SER A 6 -0.879 -17.223 5.126 1.00 0.00 O ATOM 52 CB SER A 6 -1.048 -18.819 7.758 1.00 0.00 C ATOM 53 OG SER A 6 -0.962 -19.679 6.635 1.00 0.00 O ATOM 0 H SER A 6 -3.170 -17.758 5.931 1.00 0.00 H new ATOM 0 HA SER A 6 -1.690 -16.828 8.252 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.053 -18.652 8.170 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.641 -19.294 8.540 1.00 0.00 H new ATOM 0 HG SER A 6 -0.554 -20.528 6.904 1.00 0.00 H new ATOM 59 N GLY A 7 -0.118 -15.765 6.661 1.00 0.00 N ATOM 60 CA GLY A 7 0.706 -15.051 5.703 1.00 0.00 C ATOM 61 C GLY A 7 0.277 -13.608 5.531 1.00 0.00 C ATOM 62 O GLY A 7 -0.369 -13.036 6.409 1.00 0.00 O ATOM 0 H GLY A 7 -0.079 -15.402 7.613 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.746 -15.081 6.029 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.659 -15.558 4.739 1.00 0.00 H new ATOM 66 N ASP A 8 0.640 -13.015 4.399 1.00 0.00 N ATOM 67 CA ASP A 8 0.289 -11.629 4.115 1.00 0.00 C ATOM 68 C ASP A 8 -0.796 -11.550 3.045 1.00 0.00 C ATOM 69 O ASP A 8 -0.636 -12.080 1.945 1.00 0.00 O ATOM 70 CB ASP A 8 1.525 -10.850 3.663 1.00 0.00 C ATOM 71 CG ASP A 8 2.338 -10.325 4.830 1.00 0.00 C ATOM 72 OD1 ASP A 8 1.892 -9.352 5.473 1.00 0.00 O ATOM 73 OD2 ASP A 8 3.420 -10.887 5.100 1.00 0.00 O ATOM 0 H ASP A 8 1.177 -13.473 3.663 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.097 -11.184 5.032 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.152 -11.495 3.048 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.215 -10.015 3.035 1.00 0.00 H new ATOM 78 N ILE A 9 -1.899 -10.887 3.376 1.00 0.00 N ATOM 79 CA ILE A 9 -3.010 -10.740 2.444 1.00 0.00 C ATOM 80 C ILE A 9 -2.948 -9.398 1.722 1.00 0.00 C ATOM 81 O ILE A 9 -2.335 -8.448 2.209 1.00 0.00 O ATOM 82 CB ILE A 9 -4.367 -10.862 3.161 1.00 0.00 C ATOM 83 CG1 ILE A 9 -4.472 -12.213 3.873 1.00 0.00 C ATOM 84 CG2 ILE A 9 -5.508 -10.689 2.170 1.00 0.00 C ATOM 85 CD1 ILE A 9 -4.504 -13.393 2.928 1.00 0.00 C ATOM 0 H ILE A 9 -2.047 -10.443 4.282 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.920 -11.546 1.716 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.439 -10.072 3.908 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.626 -12.324 4.551 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.374 -12.223 4.485 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.460 -10.778 2.693 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.440 -9.706 1.705 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.442 -11.459 1.402 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.579 -14.317 3.502 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.366 -13.306 2.266 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.590 -13.408 2.334 1.00 0.00 H new ATOM 97 N ARG A 10 -3.587 -9.328 0.559 1.00 0.00 N ATOM 98 CA ARG A 10 -3.606 -8.102 -0.229 1.00 0.00 C ATOM 99 C ARG A 10 -4.751 -7.192 0.206 1.00 0.00 C ATOM 100 O ARG A 10 -4.543 -6.124 0.782 1.00 0.00 O ATOM 101 CB ARG A 10 -3.738 -8.430 -1.718 1.00 0.00 C ATOM 102 CG ARG A 10 -2.410 -8.455 -2.457 1.00 0.00 C ATOM 103 CD ARG A 10 -1.787 -7.069 -2.529 1.00 0.00 C ATOM 104 NE ARG A 10 -2.260 -6.316 -3.687 1.00 0.00 N ATOM 105 CZ ARG A 10 -3.349 -5.555 -3.674 1.00 0.00 C ATOM 106 NH1 ARG A 10 -4.073 -5.447 -2.568 1.00 0.00 N ATOM 107 NH2 ARG A 10 -3.715 -4.900 -4.768 1.00 0.00 N ATOM 0 H ARG A 10 -4.098 -10.106 0.142 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.665 -7.578 -0.061 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.222 -9.401 -1.826 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.391 -7.694 -2.187 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.725 -9.137 -1.954 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.561 -8.840 -3.465 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.022 -6.518 -1.618 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.702 -7.161 -2.575 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.725 -6.378 -4.553 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.794 -5.949 -1.725 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.909 -4.862 -2.561 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.160 -4.980 -5.620 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.551 -4.316 -4.757 1.00 0.00 H new ATOM 121 N PRO A 11 -5.989 -7.624 -0.076 1.00 0.00 N ATOM 122 CA PRO A 11 -7.192 -6.863 0.278 1.00 0.00 C ATOM 123 C PRO A 11 -7.438 -6.835 1.782 1.00 0.00 C ATOM 124 O PRO A 11 -7.610 -5.769 2.373 1.00 0.00 O ATOM 125 CB PRO A 11 -8.314 -7.623 -0.434 1.00 0.00 C ATOM 126 CG PRO A 11 -7.798 -9.014 -0.577 1.00 0.00 C ATOM 127 CD PRO A 11 -6.311 -8.887 -0.761 1.00 0.00 C ATOM 0 HA PRO A 11 -7.114 -5.816 -0.016 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.237 -7.601 0.145 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.537 -7.182 -1.405 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.033 -9.610 0.305 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.256 -9.514 -1.431 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.778 -9.730 -0.321 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.038 -8.853 -1.816 1.00 0.00 H new ATOM 135 N SER A 12 -7.453 -8.013 2.397 1.00 0.00 N ATOM 136 CA SER A 12 -7.682 -8.123 3.833 1.00 0.00 C ATOM 137 C SER A 12 -6.789 -7.153 4.601 1.00 0.00 C ATOM 138 O SER A 12 -7.274 -6.294 5.337 1.00 0.00 O ATOM 139 CB SER A 12 -7.422 -9.555 4.304 1.00 0.00 C ATOM 140 OG SER A 12 -7.831 -9.732 5.649 1.00 0.00 O ATOM 0 H SER A 12 -7.309 -8.905 1.923 1.00 0.00 H new ATOM 0 HA SER A 12 -8.723 -7.866 4.031 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.958 -10.255 3.663 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.361 -9.785 4.210 1.00 0.00 H new ATOM 0 HG SER A 12 -7.656 -10.656 5.925 1.00 0.00 H new ATOM 146 N LYS A 13 -5.480 -7.298 4.425 1.00 0.00 N ATOM 147 CA LYS A 13 -4.517 -6.435 5.099 1.00 0.00 C ATOM 148 C LYS A 13 -4.743 -4.973 4.728 1.00 0.00 C ATOM 149 O LYS A 13 -4.858 -4.111 5.601 1.00 0.00 O ATOM 150 CB LYS A 13 -3.089 -6.850 4.737 1.00 0.00 C ATOM 151 CG LYS A 13 -2.685 -8.200 5.303 1.00 0.00 C ATOM 152 CD LYS A 13 -2.266 -8.091 6.760 1.00 0.00 C ATOM 153 CE LYS A 13 -0.863 -7.521 6.895 1.00 0.00 C ATOM 154 NZ LYS A 13 -0.467 -7.354 8.321 1.00 0.00 N ATOM 0 H LYS A 13 -5.061 -8.005 3.821 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.659 -6.544 6.174 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.992 -6.877 3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.396 -6.091 5.100 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.518 -8.897 5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.863 -8.610 4.717 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.971 -7.456 7.296 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.306 -9.076 7.226 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.153 -8.181 6.396 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.812 -6.557 6.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.495 -6.963 8.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.129 -6.704 8.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.490 -8.278 8.798 1.00 0.00 H new ATOM 168 N LEU A 14 -4.806 -4.700 3.430 1.00 0.00 N ATOM 169 CA LEU A 14 -5.020 -3.342 2.943 1.00 0.00 C ATOM 170 C LEU A 14 -6.093 -2.632 3.763 1.00 0.00 C ATOM 171 O LEU A 14 -5.920 -1.482 4.169 1.00 0.00 O ATOM 172 CB LEU A 14 -5.423 -3.365 1.467 1.00 0.00 C ATOM 173 CG LEU A 14 -5.912 -2.039 0.884 1.00 0.00 C ATOM 174 CD1 LEU A 14 -4.774 -1.031 0.823 1.00 0.00 C ATOM 175 CD2 LEU A 14 -6.512 -2.253 -0.498 1.00 0.00 C ATOM 0 H LEU A 14 -4.712 -5.401 2.695 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.084 -2.793 3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.567 -3.702 0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.210 -4.108 1.337 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.688 -1.641 1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.141 -0.093 0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.389 -0.855 1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.975 -1.421 0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.855 -1.299 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.757 -2.674 -1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.355 -2.940 -0.426 1.00 0.00 H new ATOM 187 N LEU A 15 -7.199 -3.325 4.006 1.00 0.00 N ATOM 188 CA LEU A 15 -8.300 -2.763 4.781 1.00 0.00 C ATOM 189 C LEU A 15 -7.820 -2.299 6.152 1.00 0.00 C ATOM 190 O LEU A 15 -8.094 -1.174 6.571 1.00 0.00 O ATOM 191 CB LEU A 15 -9.417 -3.795 4.941 1.00 0.00 C ATOM 192 CG LEU A 15 -10.552 -3.414 5.892 1.00 0.00 C ATOM 193 CD1 LEU A 15 -11.421 -2.328 5.278 1.00 0.00 C ATOM 194 CD2 LEU A 15 -11.389 -4.636 6.240 1.00 0.00 C ATOM 0 H LEU A 15 -7.358 -4.278 3.678 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.687 -1.899 4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.845 -3.993 3.958 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.975 -4.728 5.290 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.115 -3.024 6.811 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.223 -2.070 5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.814 -1.445 5.081 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.850 -2.690 4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.192 -4.346 6.918 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.816 -5.056 5.329 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.759 -5.383 6.723 1.00 0.00 H new ATOM 206 N THR A 16 -7.098 -3.173 6.847 1.00 0.00 N ATOM 207 CA THR A 16 -6.578 -2.853 8.171 1.00 0.00 C ATOM 208 C THR A 16 -5.908 -1.484 8.182 1.00 0.00 C ATOM 209 O THR A 16 -6.254 -0.620 8.988 1.00 0.00 O ATOM 210 CB THR A 16 -5.565 -3.912 8.647 1.00 0.00 C ATOM 211 OG1 THR A 16 -6.152 -5.216 8.579 1.00 0.00 O ATOM 212 CG2 THR A 16 -5.114 -3.626 10.072 1.00 0.00 C ATOM 0 H THR A 16 -6.860 -4.108 6.515 1.00 0.00 H new ATOM 0 HA THR A 16 -7.429 -2.843 8.852 1.00 0.00 H new ATOM 0 HB THR A 16 -4.695 -3.872 7.992 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.502 -5.884 8.881 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.399 -4.386 10.387 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.642 -2.644 10.114 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.977 -3.642 10.737 1.00 0.00 H new ATOM 220 N TRP A 17 -4.948 -1.293 7.284 1.00 0.00 N ATOM 221 CA TRP A 17 -4.230 -0.027 7.191 1.00 0.00 C ATOM 222 C TRP A 17 -5.201 1.145 7.102 1.00 0.00 C ATOM 223 O TRP A 17 -5.152 2.068 7.916 1.00 0.00 O ATOM 224 CB TRP A 17 -3.303 -0.031 5.975 1.00 0.00 C ATOM 225 CG TRP A 17 -2.513 1.234 5.825 1.00 0.00 C ATOM 226 CD1 TRP A 17 -1.391 1.586 6.520 1.00 0.00 C ATOM 227 CD2 TRP A 17 -2.787 2.314 4.927 1.00 0.00 C ATOM 228 NE1 TRP A 17 -0.951 2.821 6.107 1.00 0.00 N ATOM 229 CE2 TRP A 17 -1.789 3.288 5.130 1.00 0.00 C ATOM 230 CE3 TRP A 17 -3.776 2.553 3.969 1.00 0.00 C ATOM 231 CZ2 TRP A 17 -1.756 4.480 4.411 1.00 0.00 C ATOM 232 CZ3 TRP A 17 -3.741 3.736 3.256 1.00 0.00 C ATOM 233 CH2 TRP A 17 -2.736 4.687 3.479 1.00 0.00 C ATOM 0 H TRP A 17 -4.649 -1.998 6.610 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.632 0.090 8.095 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.615 -0.873 6.054 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -3.897 -0.189 5.075 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -0.919 0.983 7.282 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -0.133 3.310 6.470 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.554 1.826 3.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.984 5.215 4.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -4.501 3.931 2.514 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -2.735 5.601 2.904 1.00 0.00 H new ATOM 244 N CYS A 18 -6.083 1.102 6.110 1.00 0.00 N ATOM 245 CA CYS A 18 -7.066 2.162 5.915 1.00 0.00 C ATOM 246 C CYS A 18 -7.839 2.431 7.202 1.00 0.00 C ATOM 247 O CYS A 18 -7.974 3.578 7.627 1.00 0.00 O ATOM 248 CB CYS A 18 -8.036 1.786 4.793 1.00 0.00 C ATOM 249 SG CYS A 18 -7.286 1.758 3.148 1.00 0.00 S ATOM 0 H CYS A 18 -6.138 0.345 5.428 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.533 3.071 5.636 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.457 0.803 5.005 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.865 2.494 4.791 1.00 0.00 H new ATOM 0 HG CYS A 18 -8.115 2.265 2.285 1.00 0.00 H new ATOM 255 N GLN A 19 -8.344 1.366 7.816 1.00 0.00 N ATOM 256 CA GLN A 19 -9.105 1.489 9.054 1.00 0.00 C ATOM 257 C GLN A 19 -8.328 2.288 10.094 1.00 0.00 C ATOM 258 O GLN A 19 -8.850 3.237 10.678 1.00 0.00 O ATOM 259 CB GLN A 19 -9.446 0.104 9.607 1.00 0.00 C ATOM 260 CG GLN A 19 -10.696 -0.506 8.994 1.00 0.00 C ATOM 261 CD GLN A 19 -10.961 -1.915 9.488 1.00 0.00 C ATOM 262 OE1 GLN A 19 -10.310 -2.391 10.418 1.00 0.00 O ATOM 263 NE2 GLN A 19 -11.921 -2.589 8.866 1.00 0.00 N ATOM 0 H GLN A 19 -8.240 0.410 7.477 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.030 2.021 8.831 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.603 -0.565 9.433 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.579 0.176 10.686 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.555 0.124 9.227 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.595 -0.519 7.909 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.435 -2.154 8.100 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.145 -3.541 9.155 1.00 0.00 H new ATOM 272 N GLN A 20 -7.078 1.896 10.321 1.00 0.00 N ATOM 273 CA GLN A 20 -6.229 2.576 11.293 1.00 0.00 C ATOM 274 C GLN A 20 -6.218 4.081 11.046 1.00 0.00 C ATOM 275 O GLN A 20 -6.503 4.869 11.948 1.00 0.00 O ATOM 276 CB GLN A 20 -4.804 2.026 11.229 1.00 0.00 C ATOM 277 CG GLN A 20 -4.662 0.634 11.824 1.00 0.00 C ATOM 278 CD GLN A 20 -3.247 0.337 12.283 1.00 0.00 C ATOM 279 OE1 GLN A 20 -2.673 1.077 13.083 1.00 0.00 O ATOM 280 NE2 GLN A 20 -2.677 -0.751 11.779 1.00 0.00 N ATOM 0 H GLN A 20 -6.631 1.112 9.846 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.637 2.392 12.287 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.479 2.002 10.189 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.136 2.707 11.756 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.343 0.533 12.669 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.962 -0.106 11.083 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.189 -1.336 11.119 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.727 -1.002 12.052 1.00 0.00 H new ATOM 289 N GLN A 21 -5.886 4.472 9.820 1.00 0.00 N ATOM 290 CA GLN A 21 -5.836 5.883 9.456 1.00 0.00 C ATOM 291 C GLN A 21 -7.177 6.560 9.718 1.00 0.00 C ATOM 292 O GLN A 21 -7.230 7.699 10.185 1.00 0.00 O ATOM 293 CB GLN A 21 -5.451 6.039 7.984 1.00 0.00 C ATOM 294 CG GLN A 21 -4.119 5.395 7.632 1.00 0.00 C ATOM 295 CD GLN A 21 -2.971 5.942 8.457 1.00 0.00 C ATOM 296 OE1 GLN A 21 -2.515 7.065 8.241 1.00 0.00 O ATOM 297 NE2 GLN A 21 -2.496 5.148 9.410 1.00 0.00 N ATOM 0 H GLN A 21 -5.648 3.832 9.062 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.079 6.365 10.075 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.233 5.600 7.364 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.408 7.100 7.739 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.189 4.318 7.783 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.910 5.556 6.574 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.904 4.224 9.555 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.723 5.462 9.997 1.00 0.00 H new ATOM 306 N THR A 22 -8.261 5.854 9.412 1.00 0.00 N ATOM 307 CA THR A 22 -9.603 6.387 9.612 1.00 0.00 C ATOM 308 C THR A 22 -10.142 6.016 10.989 1.00 0.00 C ATOM 309 O THR A 22 -11.348 5.855 11.170 1.00 0.00 O ATOM 310 CB THR A 22 -10.578 5.872 8.537 1.00 0.00 C ATOM 311 OG1 THR A 22 -10.724 4.452 8.647 1.00 0.00 O ATOM 312 CG2 THR A 22 -10.083 6.229 7.143 1.00 0.00 C ATOM 0 H THR A 22 -8.236 4.911 9.024 1.00 0.00 H new ATOM 0 HA THR A 22 -9.527 7.472 9.534 1.00 0.00 H new ATOM 0 HB THR A 22 -11.545 6.349 8.696 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.032 4.097 9.243 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.787 5.855 6.400 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.001 7.312 7.052 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.106 5.776 6.977 1.00 0.00 H new ATOM 320 N GLU A 23 -9.240 5.883 11.957 1.00 0.00 N ATOM 321 CA GLU A 23 -9.627 5.531 13.318 1.00 0.00 C ATOM 322 C GLU A 23 -9.956 6.780 14.130 1.00 0.00 C ATOM 323 O GLU A 23 -9.137 7.691 14.247 1.00 0.00 O ATOM 324 CB GLU A 23 -8.507 4.744 14.003 1.00 0.00 C ATOM 325 CG GLU A 23 -8.894 4.198 15.367 1.00 0.00 C ATOM 326 CD GLU A 23 -8.039 3.018 15.787 1.00 0.00 C ATOM 327 OE1 GLU A 23 -8.347 1.883 15.365 1.00 0.00 O ATOM 328 OE2 GLU A 23 -7.063 3.229 16.537 1.00 0.00 O ATOM 0 H GLU A 23 -8.237 6.014 11.824 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.519 4.908 13.265 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.211 3.915 13.360 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.636 5.389 14.113 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.804 4.990 16.110 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.941 3.895 15.349 1.00 0.00 H new ATOM 335 N GLY A 24 -11.162 6.815 14.689 1.00 0.00 N ATOM 336 CA GLY A 24 -11.579 7.956 15.483 1.00 0.00 C ATOM 337 C GLY A 24 -12.601 8.817 14.768 1.00 0.00 C ATOM 338 O GLY A 24 -13.602 9.223 15.357 1.00 0.00 O ATOM 0 H GLY A 24 -11.858 6.074 14.606 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.000 7.605 16.425 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.707 8.562 15.729 1.00 0.00 H new ATOM 342 N TYR A 25 -12.348 9.098 13.494 1.00 0.00 N ATOM 343 CA TYR A 25 -13.252 9.920 12.699 1.00 0.00 C ATOM 344 C TYR A 25 -14.704 9.675 13.098 1.00 0.00 C ATOM 345 O TYR A 25 -15.069 8.573 13.504 1.00 0.00 O ATOM 346 CB TYR A 25 -13.064 9.627 11.209 1.00 0.00 C ATOM 347 CG TYR A 25 -11.973 10.450 10.563 1.00 0.00 C ATOM 348 CD1 TYR A 25 -10.640 10.067 10.656 1.00 0.00 C ATOM 349 CD2 TYR A 25 -12.274 11.609 9.859 1.00 0.00 C ATOM 350 CE1 TYR A 25 -9.640 10.817 10.067 1.00 0.00 C ATOM 351 CE2 TYR A 25 -11.280 12.364 9.266 1.00 0.00 C ATOM 352 CZ TYR A 25 -9.965 11.964 9.374 1.00 0.00 C ATOM 353 OH TYR A 25 -8.971 12.712 8.785 1.00 0.00 O ATOM 0 H TYR A 25 -11.524 8.768 12.990 1.00 0.00 H new ATOM 0 HA TYR A 25 -13.014 10.966 12.890 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -12.833 8.569 11.082 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -14.004 9.813 10.689 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.382 9.169 11.197 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -13.303 11.926 9.774 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.609 10.506 10.149 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.532 13.262 8.721 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.436 12.140 8.196 1.00 0.00 H new ATOM 363 N GLN A 26 -15.527 10.712 12.977 1.00 0.00 N ATOM 364 CA GLN A 26 -16.939 10.611 13.325 1.00 0.00 C ATOM 365 C GLN A 26 -17.753 10.083 12.148 1.00 0.00 C ATOM 366 O GLN A 26 -17.439 10.358 10.990 1.00 0.00 O ATOM 367 CB GLN A 26 -17.478 11.974 13.763 1.00 0.00 C ATOM 368 CG GLN A 26 -16.919 12.450 15.094 1.00 0.00 C ATOM 369 CD GLN A 26 -17.328 13.872 15.424 1.00 0.00 C ATOM 370 OE1 GLN A 26 -18.502 14.151 15.670 1.00 0.00 O ATOM 371 NE2 GLN A 26 -16.360 14.780 15.431 1.00 0.00 N ATOM 0 H GLN A 26 -15.240 11.631 12.641 1.00 0.00 H new ATOM 0 HA GLN A 26 -17.033 9.909 14.153 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -17.244 12.712 12.995 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -18.564 11.920 13.833 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -17.261 11.784 15.886 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -15.831 12.385 15.071 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -15.401 14.504 15.221 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -16.575 15.753 15.646 1.00 0.00 H new ATOM 380 N HIS A 27 -18.800 9.323 12.452 1.00 0.00 N ATOM 381 CA HIS A 27 -19.660 8.757 11.419 1.00 0.00 C ATOM 382 C HIS A 27 -18.829 8.116 10.312 1.00 0.00 C ATOM 383 O HIS A 27 -19.249 8.067 9.155 1.00 0.00 O ATOM 384 CB HIS A 27 -20.567 9.839 10.831 1.00 0.00 C ATOM 385 CG HIS A 27 -21.610 10.330 11.787 1.00 0.00 C ATOM 386 ND1 HIS A 27 -22.940 10.460 11.447 1.00 0.00 N ATOM 387 CD2 HIS A 27 -21.513 10.721 13.079 1.00 0.00 C ATOM 388 CE1 HIS A 27 -23.616 10.912 12.488 1.00 0.00 C ATOM 389 NE2 HIS A 27 -22.774 11.079 13.491 1.00 0.00 N ATOM 0 H HIS A 27 -19.073 9.085 13.405 1.00 0.00 H new ATOM 0 HA HIS A 27 -20.278 7.986 11.878 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -19.954 10.681 10.511 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -21.058 9.446 9.941 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -20.613 10.747 13.675 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -24.677 11.111 12.514 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -23.020 11.419 14.421 1.00 0.00 H new ATOM 398 N VAL A 28 -17.647 7.627 10.673 1.00 0.00 N ATOM 399 CA VAL A 28 -16.756 6.989 9.711 1.00 0.00 C ATOM 400 C VAL A 28 -16.383 5.580 10.157 1.00 0.00 C ATOM 401 O VAL A 28 -15.434 5.391 10.917 1.00 0.00 O ATOM 402 CB VAL A 28 -15.469 7.810 9.507 1.00 0.00 C ATOM 403 CG1 VAL A 28 -14.431 6.997 8.749 1.00 0.00 C ATOM 404 CG2 VAL A 28 -15.776 9.110 8.779 1.00 0.00 C ATOM 0 H VAL A 28 -17.284 7.661 11.626 1.00 0.00 H new ATOM 0 HA VAL A 28 -17.297 6.936 8.766 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.058 8.057 10.486 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.529 7.594 8.614 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -14.190 6.097 9.315 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -14.829 6.717 7.774 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -14.855 9.677 8.643 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -16.212 8.887 7.805 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.481 9.698 9.366 1.00 0.00 H new ATOM 414 N ASN A 29 -17.135 4.595 9.680 1.00 0.00 N ATOM 415 CA ASN A 29 -16.883 3.202 10.030 1.00 0.00 C ATOM 416 C ASN A 29 -16.445 2.403 8.806 1.00 0.00 C ATOM 417 O ASN A 29 -17.275 1.940 8.024 1.00 0.00 O ATOM 418 CB ASN A 29 -18.137 2.573 10.641 1.00 0.00 C ATOM 419 CG ASN A 29 -17.816 1.373 11.512 1.00 0.00 C ATOM 420 OD1 ASN A 29 -16.651 1.080 11.779 1.00 0.00 O ATOM 421 ND2 ASN A 29 -18.852 0.672 11.958 1.00 0.00 N ATOM 0 H ASN A 29 -17.925 4.735 9.050 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.078 3.178 10.764 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -18.662 3.320 11.236 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -18.813 2.268 9.842 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.698 -0.146 12.547 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -19.801 0.952 11.711 1.00 0.00 H new ATOM 428 N VAL A 30 -15.135 2.246 8.646 1.00 0.00 N ATOM 429 CA VAL A 30 -14.586 1.503 7.519 1.00 0.00 C ATOM 430 C VAL A 30 -14.586 0.004 7.796 1.00 0.00 C ATOM 431 O VAL A 30 -13.769 -0.497 8.570 1.00 0.00 O ATOM 432 CB VAL A 30 -13.149 1.954 7.196 1.00 0.00 C ATOM 433 CG1 VAL A 30 -12.546 1.077 6.109 1.00 0.00 C ATOM 434 CG2 VAL A 30 -13.130 3.418 6.783 1.00 0.00 C ATOM 0 H VAL A 30 -14.434 2.624 9.283 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.226 1.711 6.661 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.542 1.846 8.095 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.531 1.410 5.894 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.524 0.041 6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -13.151 1.150 5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.107 3.719 6.559 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -13.751 3.554 5.898 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -13.519 4.031 7.597 1.00 0.00 H new ATOM 444 N THR A 31 -15.510 -0.710 7.159 1.00 0.00 N ATOM 445 CA THR A 31 -15.618 -2.152 7.338 1.00 0.00 C ATOM 446 C THR A 31 -15.336 -2.890 6.034 1.00 0.00 C ATOM 447 O THR A 31 -14.793 -3.995 6.039 1.00 0.00 O ATOM 448 CB THR A 31 -17.015 -2.552 7.849 1.00 0.00 C ATOM 449 OG1 THR A 31 -18.015 -2.152 6.905 1.00 0.00 O ATOM 450 CG2 THR A 31 -17.300 -1.913 9.199 1.00 0.00 C ATOM 0 H THR A 31 -16.194 -0.312 6.515 1.00 0.00 H new ATOM 0 HA THR A 31 -14.873 -2.435 8.081 1.00 0.00 H new ATOM 0 HB THR A 31 -17.039 -3.636 7.965 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.039 -2.792 6.163 1.00 0.00 H new ATOM 0 HG21 THR A 31 -18.292 -2.210 9.540 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.554 -2.243 9.922 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.259 -0.828 9.104 1.00 0.00 H new ATOM 458 N ASP A 32 -15.708 -2.272 4.918 1.00 0.00 N ATOM 459 CA ASP A 32 -15.493 -2.870 3.605 1.00 0.00 C ATOM 460 C ASP A 32 -14.802 -1.886 2.666 1.00 0.00 C ATOM 461 O ASP A 32 -14.480 -0.763 3.055 1.00 0.00 O ATOM 462 CB ASP A 32 -16.825 -3.320 3.002 1.00 0.00 C ATOM 463 CG ASP A 32 -17.490 -4.412 3.818 1.00 0.00 C ATOM 464 OD1 ASP A 32 -17.779 -4.170 5.008 1.00 0.00 O ATOM 465 OD2 ASP A 32 -17.720 -5.508 3.266 1.00 0.00 O ATOM 0 H ASP A 32 -16.160 -1.358 4.896 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.847 -3.739 3.730 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -17.496 -2.464 2.931 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.658 -3.680 1.987 1.00 0.00 H new ATOM 470 N LEU A 33 -14.577 -2.316 1.429 1.00 0.00 N ATOM 471 CA LEU A 33 -13.923 -1.473 0.434 1.00 0.00 C ATOM 472 C LEU A 33 -14.838 -1.232 -0.762 1.00 0.00 C ATOM 473 O LEU A 33 -14.373 -1.054 -1.888 1.00 0.00 O ATOM 474 CB LEU A 33 -12.616 -2.119 -0.031 1.00 0.00 C ATOM 475 CG LEU A 33 -11.661 -2.572 1.074 1.00 0.00 C ATOM 476 CD1 LEU A 33 -10.819 -3.747 0.603 1.00 0.00 C ATOM 477 CD2 LEU A 33 -10.771 -1.419 1.516 1.00 0.00 C ATOM 0 H LEU A 33 -14.838 -3.243 1.091 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.701 -0.512 0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -12.861 -2.983 -0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.090 -1.409 -0.670 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.254 -2.896 1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.145 -4.056 1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.471 -4.579 0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.236 -3.450 -0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.098 -1.760 2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.187 -1.064 0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.390 -0.606 1.895 1.00 0.00 H new ATOM 489 N THR A 34 -16.144 -1.225 -0.509 1.00 0.00 N ATOM 490 CA THR A 34 -17.125 -1.005 -1.564 1.00 0.00 C ATOM 491 C THR A 34 -18.091 0.114 -1.192 1.00 0.00 C ATOM 492 O THR A 34 -18.292 1.056 -1.959 1.00 0.00 O ATOM 493 CB THR A 34 -17.929 -2.285 -1.860 1.00 0.00 C ATOM 494 OG1 THR A 34 -18.446 -2.831 -0.641 1.00 0.00 O ATOM 495 CG2 THR A 34 -17.060 -3.322 -2.556 1.00 0.00 C ATOM 0 H THR A 34 -16.546 -1.369 0.417 1.00 0.00 H new ATOM 0 HA THR A 34 -16.569 -0.720 -2.457 1.00 0.00 H new ATOM 0 HB THR A 34 -18.755 -2.023 -2.521 1.00 0.00 H new ATOM 0 HG1 THR A 34 -18.957 -3.644 -0.837 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.650 -4.217 -2.755 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.691 -2.915 -3.497 1.00 0.00 H new ATOM 0 HG23 THR A 34 -16.216 -3.578 -1.916 1.00 0.00 H new ATOM 503 N THR A 35 -18.687 0.006 -0.009 1.00 0.00 N ATOM 504 CA THR A 35 -19.632 1.008 0.465 1.00 0.00 C ATOM 505 C THR A 35 -18.930 2.077 1.295 1.00 0.00 C ATOM 506 O THR A 35 -19.237 3.264 1.185 1.00 0.00 O ATOM 507 CB THR A 35 -20.751 0.370 1.310 1.00 0.00 C ATOM 508 OG1 THR A 35 -20.187 -0.305 2.440 1.00 0.00 O ATOM 509 CG2 THR A 35 -21.564 -0.611 0.480 1.00 0.00 C ATOM 0 H THR A 35 -18.531 -0.766 0.639 1.00 0.00 H new ATOM 0 HA THR A 35 -20.073 1.470 -0.419 1.00 0.00 H new ATOM 0 HB THR A 35 -21.413 1.164 1.655 1.00 0.00 H new ATOM 0 HG1 THR A 35 -20.905 -0.706 2.973 1.00 0.00 H new ATOM 0 HG21 THR A 35 -22.348 -1.048 1.098 1.00 0.00 H new ATOM 0 HG22 THR A 35 -22.016 -0.088 -0.362 1.00 0.00 H new ATOM 0 HG23 THR A 35 -20.912 -1.401 0.108 1.00 0.00 H new ATOM 517 N SER A 36 -17.986 1.648 2.127 1.00 0.00 N ATOM 518 CA SER A 36 -17.242 2.569 2.979 1.00 0.00 C ATOM 519 C SER A 36 -16.688 3.734 2.165 1.00 0.00 C ATOM 520 O SER A 36 -16.548 4.847 2.672 1.00 0.00 O ATOM 521 CB SER A 36 -16.100 1.835 3.683 1.00 0.00 C ATOM 522 OG SER A 36 -16.593 0.782 4.493 1.00 0.00 O ATOM 0 H SER A 36 -17.718 0.669 2.229 1.00 0.00 H new ATOM 0 HA SER A 36 -17.926 2.966 3.729 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.409 1.434 2.941 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.536 2.537 4.297 1.00 0.00 H new ATOM 0 HG SER A 36 -16.921 1.148 5.341 1.00 0.00 H new ATOM 528 N TRP A 37 -16.375 3.469 0.902 1.00 0.00 N ATOM 529 CA TRP A 37 -15.836 4.496 0.017 1.00 0.00 C ATOM 530 C TRP A 37 -16.830 4.839 -1.088 1.00 0.00 C ATOM 531 O TRP A 37 -16.439 5.113 -2.223 1.00 0.00 O ATOM 532 CB TRP A 37 -14.515 4.028 -0.596 1.00 0.00 C ATOM 533 CG TRP A 37 -13.653 3.265 0.364 1.00 0.00 C ATOM 534 CD1 TRP A 37 -13.953 2.079 0.971 1.00 0.00 C ATOM 535 CD2 TRP A 37 -12.350 3.637 0.828 1.00 0.00 C ATOM 536 NE1 TRP A 37 -12.915 1.692 1.785 1.00 0.00 N ATOM 537 CE2 TRP A 37 -11.920 2.630 1.714 1.00 0.00 C ATOM 538 CE3 TRP A 37 -11.505 4.722 0.580 1.00 0.00 C ATOM 539 CZ2 TRP A 37 -10.683 2.678 2.351 1.00 0.00 C ATOM 540 CZ3 TRP A 37 -10.278 4.769 1.214 1.00 0.00 C ATOM 541 CH2 TRP A 37 -9.876 3.752 2.090 1.00 0.00 C ATOM 0 H TRP A 37 -16.485 2.553 0.468 1.00 0.00 H new ATOM 0 HA TRP A 37 -15.656 5.393 0.610 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -14.726 3.400 -1.462 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -13.963 4.895 -0.959 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -14.871 1.527 0.832 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -12.890 0.843 2.350 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -11.805 5.510 -0.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.371 1.896 3.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -9.618 5.604 1.031 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -8.910 3.817 2.569 1.00 0.00 H new ATOM 552 N ARG A 38 -18.115 4.821 -0.748 1.00 0.00 N ATOM 553 CA ARG A 38 -19.164 5.130 -1.713 1.00 0.00 C ATOM 554 C ARG A 38 -19.426 6.632 -1.768 1.00 0.00 C ATOM 555 O ARG A 38 -19.736 7.179 -2.826 1.00 0.00 O ATOM 556 CB ARG A 38 -20.452 4.389 -1.351 1.00 0.00 C ATOM 557 CG ARG A 38 -21.217 5.023 -0.201 1.00 0.00 C ATOM 558 CD ARG A 38 -22.466 4.227 0.143 1.00 0.00 C ATOM 559 NE ARG A 38 -23.538 4.446 -0.824 1.00 0.00 N ATOM 560 CZ ARG A 38 -24.300 5.533 -0.843 1.00 0.00 C ATOM 561 NH1 ARG A 38 -24.109 6.496 0.048 1.00 0.00 N ATOM 562 NH2 ARG A 38 -25.256 5.660 -1.755 1.00 0.00 N ATOM 0 H ARG A 38 -18.454 4.596 0.187 1.00 0.00 H new ATOM 0 HA ARG A 38 -18.828 4.801 -2.696 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -21.098 4.351 -2.228 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -20.208 3.359 -1.090 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -20.572 5.087 0.675 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -21.496 6.043 -0.466 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -22.221 3.165 0.178 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -22.812 4.508 1.138 1.00 0.00 H new ATOM 0 HE ARG A 38 -23.711 3.724 -1.523 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -23.375 6.403 0.750 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -24.696 7.330 0.031 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -25.406 4.922 -2.443 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -25.841 6.496 -1.768 1.00 0.00 H new ATOM 576 N SER A 39 -19.301 7.292 -0.621 1.00 0.00 N ATOM 577 CA SER A 39 -19.529 8.730 -0.538 1.00 0.00 C ATOM 578 C SER A 39 -18.228 9.499 -0.741 1.00 0.00 C ATOM 579 O SER A 39 -18.171 10.452 -1.517 1.00 0.00 O ATOM 580 CB SER A 39 -20.144 9.093 0.815 1.00 0.00 C ATOM 581 OG SER A 39 -19.236 8.838 1.872 1.00 0.00 O ATOM 0 H SER A 39 -19.043 6.854 0.263 1.00 0.00 H new ATOM 0 HA SER A 39 -20.223 9.009 -1.331 1.00 0.00 H new ATOM 0 HB2 SER A 39 -20.426 10.146 0.819 1.00 0.00 H new ATOM 0 HB3 SER A 39 -21.057 8.518 0.969 1.00 0.00 H new ATOM 0 HG SER A 39 -19.652 9.080 2.726 1.00 0.00 H new ATOM 587 N GLY A 40 -17.182 9.077 -0.037 1.00 0.00 N ATOM 588 CA GLY A 40 -15.895 9.737 -0.152 1.00 0.00 C ATOM 589 C GLY A 40 -15.262 10.015 1.197 1.00 0.00 C ATOM 590 O GLY A 40 -14.046 9.901 1.356 1.00 0.00 O ATOM 0 H GLY A 40 -17.203 8.290 0.611 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.223 9.115 -0.744 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.019 10.676 -0.692 1.00 0.00 H new ATOM 594 N LEU A 41 -16.088 10.382 2.171 1.00 0.00 N ATOM 595 CA LEU A 41 -15.602 10.679 3.514 1.00 0.00 C ATOM 596 C LEU A 41 -14.467 9.737 3.904 1.00 0.00 C ATOM 597 O LEU A 41 -13.432 10.172 4.407 1.00 0.00 O ATOM 598 CB LEU A 41 -16.743 10.568 4.527 1.00 0.00 C ATOM 599 CG LEU A 41 -17.986 11.408 4.232 1.00 0.00 C ATOM 600 CD1 LEU A 41 -19.106 11.063 5.202 1.00 0.00 C ATOM 601 CD2 LEU A 41 -17.656 12.892 4.302 1.00 0.00 C ATOM 0 H LEU A 41 -17.097 10.481 2.056 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.219 11.700 3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -17.043 9.522 4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.361 10.853 5.507 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.324 11.179 3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -19.982 11.671 4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.361 10.008 5.103 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.778 11.263 6.222 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -18.552 13.474 4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.292 13.137 5.300 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.887 13.129 3.567 1.00 0.00 H new ATOM 613 N ALA A 42 -14.670 8.446 3.666 1.00 0.00 N ATOM 614 CA ALA A 42 -13.662 7.443 3.988 1.00 0.00 C ATOM 615 C ALA A 42 -12.273 7.902 3.557 1.00 0.00 C ATOM 616 O ALA A 42 -11.395 8.125 4.392 1.00 0.00 O ATOM 617 CB ALA A 42 -14.010 6.116 3.330 1.00 0.00 C ATOM 0 H ALA A 42 -15.523 8.070 3.252 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.651 7.308 5.070 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.249 5.376 3.579 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.980 5.774 3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -14.050 6.246 2.248 1.00 0.00 H new ATOM 623 N LEU A 43 -12.080 8.040 2.250 1.00 0.00 N ATOM 624 CA LEU A 43 -10.797 8.472 1.708 1.00 0.00 C ATOM 625 C LEU A 43 -10.421 9.854 2.233 1.00 0.00 C ATOM 626 O LEU A 43 -9.366 10.031 2.842 1.00 0.00 O ATOM 627 CB LEU A 43 -10.847 8.491 0.179 1.00 0.00 C ATOM 628 CG LEU A 43 -9.625 9.081 -0.526 1.00 0.00 C ATOM 629 CD1 LEU A 43 -8.377 8.277 -0.193 1.00 0.00 C ATOM 630 CD2 LEU A 43 -9.847 9.126 -2.030 1.00 0.00 C ATOM 0 H LEU A 43 -12.796 7.859 1.546 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.036 7.762 2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.986 7.469 -0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.727 9.056 -0.129 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.481 10.101 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.517 8.711 -0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.208 8.297 0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.510 7.246 -0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.967 9.549 -2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.017 8.116 -2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.716 9.746 -2.251 1.00 0.00 H new ATOM 642 N CYS A 44 -11.292 10.828 1.994 1.00 0.00 N ATOM 643 CA CYS A 44 -11.052 12.195 2.444 1.00 0.00 C ATOM 644 C CYS A 44 -10.385 12.206 3.815 1.00 0.00 C ATOM 645 O CYS A 44 -9.478 12.999 4.069 1.00 0.00 O ATOM 646 CB CYS A 44 -12.367 12.974 2.496 1.00 0.00 C ATOM 647 SG CYS A 44 -13.066 13.352 0.872 1.00 0.00 S ATOM 0 H CYS A 44 -12.170 10.697 1.492 1.00 0.00 H new ATOM 0 HA CYS A 44 -10.382 12.675 1.731 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -13.095 12.399 3.068 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.203 13.907 3.035 1.00 0.00 H new ATOM 0 HG CYS A 44 -14.333 13.615 0.995 1.00 0.00 H new ATOM 653 N ALA A 45 -10.842 11.323 4.697 1.00 0.00 N ATOM 654 CA ALA A 45 -10.289 11.231 6.043 1.00 0.00 C ATOM 655 C ALA A 45 -8.796 10.924 6.004 1.00 0.00 C ATOM 656 O ALA A 45 -7.998 11.588 6.666 1.00 0.00 O ATOM 657 CB ALA A 45 -11.027 10.170 6.846 1.00 0.00 C ATOM 0 H ALA A 45 -11.594 10.661 4.504 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.422 12.197 6.530 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.603 10.112 7.849 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.083 10.433 6.913 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.924 9.203 6.353 1.00 0.00 H new ATOM 663 N ILE A 46 -8.425 9.914 5.224 1.00 0.00 N ATOM 664 CA ILE A 46 -7.027 9.520 5.098 1.00 0.00 C ATOM 665 C ILE A 46 -6.160 10.698 4.670 1.00 0.00 C ATOM 666 O ILE A 46 -5.152 11.004 5.308 1.00 0.00 O ATOM 667 CB ILE A 46 -6.854 8.374 4.083 1.00 0.00 C ATOM 668 CG1 ILE A 46 -7.541 7.105 4.592 1.00 0.00 C ATOM 669 CG2 ILE A 46 -5.378 8.116 3.823 1.00 0.00 C ATOM 670 CD1 ILE A 46 -7.597 5.995 3.565 1.00 0.00 C ATOM 0 H ILE A 46 -9.073 9.354 4.670 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.707 9.175 6.081 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.323 8.666 3.143 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.014 6.745 5.476 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.556 7.351 4.905 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.272 7.304 3.104 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.916 9.018 3.422 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.887 7.841 4.756 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.097 5.127 3.994 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.150 6.336 2.690 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.584 5.721 3.270 1.00 0.00 H new ATOM 682 N ILE A 47 -6.559 11.358 3.588 1.00 0.00 N ATOM 683 CA ILE A 47 -5.820 12.505 3.077 1.00 0.00 C ATOM 684 C ILE A 47 -5.750 13.621 4.114 1.00 0.00 C ATOM 685 O ILE A 47 -4.675 14.142 4.410 1.00 0.00 O ATOM 686 CB ILE A 47 -6.457 13.057 1.788 1.00 0.00 C ATOM 687 CG1 ILE A 47 -6.525 11.964 0.718 1.00 0.00 C ATOM 688 CG2 ILE A 47 -5.671 14.255 1.279 1.00 0.00 C ATOM 689 CD1 ILE A 47 -7.445 12.303 -0.434 1.00 0.00 C ATOM 0 H ILE A 47 -7.390 11.118 3.048 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.812 12.156 2.854 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.472 13.383 2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.522 11.783 0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.861 11.035 1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.134 14.633 0.368 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.669 15.038 2.037 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.645 13.954 1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.444 11.484 -1.154 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.457 12.455 -0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.098 13.214 -0.921 1.00 0.00 H new ATOM 701 N HIS A 48 -6.905 13.982 4.664 1.00 0.00 N ATOM 702 CA HIS A 48 -6.975 15.035 5.671 1.00 0.00 C ATOM 703 C HIS A 48 -6.034 14.738 6.834 1.00 0.00 C ATOM 704 O HIS A 48 -5.314 15.620 7.304 1.00 0.00 O ATOM 705 CB HIS A 48 -8.408 15.184 6.185 1.00 0.00 C ATOM 706 CG HIS A 48 -8.513 15.994 7.441 1.00 0.00 C ATOM 707 ND1 HIS A 48 -8.149 15.511 8.680 1.00 0.00 N ATOM 708 CD2 HIS A 48 -8.942 17.261 7.643 1.00 0.00 C ATOM 709 CE1 HIS A 48 -8.352 16.446 9.591 1.00 0.00 C ATOM 710 NE2 HIS A 48 -8.832 17.518 8.988 1.00 0.00 N ATOM 0 H HIS A 48 -7.804 13.561 4.430 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.665 15.970 5.205 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -9.017 15.650 5.410 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -8.825 14.193 6.365 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -7.781 14.578 8.864 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -9.304 17.943 6.888 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.158 16.350 10.649 1.00 0.00 H new ATOM 719 N ARG A 49 -6.045 13.492 7.295 1.00 0.00 N ATOM 720 CA ARG A 49 -5.193 13.080 8.404 1.00 0.00 C ATOM 721 C ARG A 49 -3.793 13.669 8.263 1.00 0.00 C ATOM 722 O ARG A 49 -3.328 14.408 9.131 1.00 0.00 O ATOM 723 CB ARG A 49 -5.111 11.554 8.473 1.00 0.00 C ATOM 724 CG ARG A 49 -4.398 11.037 9.711 1.00 0.00 C ATOM 725 CD ARG A 49 -5.368 10.815 10.861 1.00 0.00 C ATOM 726 NE ARG A 49 -4.874 9.820 11.809 1.00 0.00 N ATOM 727 CZ ARG A 49 -3.894 10.053 12.676 1.00 0.00 C ATOM 728 NH1 ARG A 49 -3.307 11.241 12.713 1.00 0.00 N ATOM 729 NH2 ARG A 49 -3.500 9.097 13.507 1.00 0.00 N ATOM 0 H ARG A 49 -6.635 12.750 6.918 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.635 13.456 9.327 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.120 11.143 8.447 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.594 11.186 7.587 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.891 10.101 9.476 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.630 11.749 10.014 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.536 11.758 11.380 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.331 10.492 10.466 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.305 8.895 11.806 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.607 11.978 12.075 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.555 11.418 13.379 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.949 8.182 13.481 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.748 9.277 14.172 1.00 0.00 H new ATOM 743 N PHE A 50 -3.125 13.337 7.164 1.00 0.00 N ATOM 744 CA PHE A 50 -1.777 13.831 6.909 1.00 0.00 C ATOM 745 C PHE A 50 -1.804 15.306 6.517 1.00 0.00 C ATOM 746 O PHE A 50 -0.996 16.102 6.997 1.00 0.00 O ATOM 747 CB PHE A 50 -1.109 13.010 5.804 1.00 0.00 C ATOM 748 CG PHE A 50 -0.690 11.638 6.247 1.00 0.00 C ATOM 749 CD1 PHE A 50 -1.601 10.595 6.273 1.00 0.00 C ATOM 750 CD2 PHE A 50 0.616 11.391 6.640 1.00 0.00 C ATOM 751 CE1 PHE A 50 -1.218 9.330 6.680 1.00 0.00 C ATOM 752 CE2 PHE A 50 1.005 10.129 7.047 1.00 0.00 C ATOM 753 CZ PHE A 50 0.086 9.098 7.069 1.00 0.00 C ATOM 0 H PHE A 50 -3.495 12.727 6.435 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.199 13.727 7.828 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.798 12.917 4.964 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.234 13.549 5.441 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.623 10.772 5.972 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.338 12.194 6.628 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.938 8.525 6.693 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.027 9.949 7.348 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.387 8.112 7.390 1.00 0.00 H new ATOM 763 N ARG A 51 -2.738 15.662 5.641 1.00 0.00 N ATOM 764 CA ARG A 51 -2.869 17.039 5.182 1.00 0.00 C ATOM 765 C ARG A 51 -4.320 17.505 5.269 1.00 0.00 C ATOM 766 O ARG A 51 -5.099 17.370 4.326 1.00 0.00 O ATOM 767 CB ARG A 51 -2.366 17.170 3.743 1.00 0.00 C ATOM 768 CG ARG A 51 -0.895 16.825 3.579 1.00 0.00 C ATOM 769 CD ARG A 51 -0.007 17.792 4.345 1.00 0.00 C ATOM 770 NE ARG A 51 1.402 17.411 4.280 1.00 0.00 N ATOM 771 CZ ARG A 51 2.338 17.920 5.072 1.00 0.00 C ATOM 772 NH1 ARG A 51 2.018 18.826 5.985 1.00 0.00 N ATOM 773 NH2 ARG A 51 3.599 17.522 4.952 1.00 0.00 N ATOM 0 H ARG A 51 -3.415 15.016 5.235 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.262 17.671 5.831 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.957 16.519 3.100 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.531 18.192 3.401 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.717 15.809 3.931 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.631 16.846 2.522 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.130 18.796 3.939 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.325 17.828 5.387 1.00 0.00 H new ATOM 0 HE ARG A 51 1.682 16.716 3.588 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.050 19.134 6.081 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.739 19.215 6.592 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.849 16.825 4.251 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.318 17.914 5.561 1.00 0.00 H new ATOM 787 N PRO A 52 -4.693 18.067 6.429 1.00 0.00 N ATOM 788 CA PRO A 52 -6.051 18.564 6.667 1.00 0.00 C ATOM 789 C PRO A 52 -6.363 19.812 5.849 1.00 0.00 C ATOM 790 O PRO A 52 -7.515 20.235 5.762 1.00 0.00 O ATOM 791 CB PRO A 52 -6.052 18.890 8.163 1.00 0.00 C ATOM 792 CG PRO A 52 -4.624 19.158 8.493 1.00 0.00 C ATOM 793 CD PRO A 52 -3.816 18.260 7.596 1.00 0.00 C ATOM 0 HA PRO A 52 -6.809 17.837 6.375 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.678 19.756 8.379 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.445 18.059 8.749 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.374 20.205 8.324 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.420 18.947 9.543 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.868 18.720 7.315 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.580 17.314 8.082 1.00 0.00 H new ATOM 801 N GLU A 53 -5.330 20.397 5.251 1.00 0.00 N ATOM 802 CA GLU A 53 -5.496 21.597 4.441 1.00 0.00 C ATOM 803 C GLU A 53 -6.071 21.253 3.070 1.00 0.00 C ATOM 804 O GLU A 53 -6.934 21.962 2.550 1.00 0.00 O ATOM 805 CB GLU A 53 -4.156 22.318 4.277 1.00 0.00 C ATOM 806 CG GLU A 53 -3.081 21.465 3.625 1.00 0.00 C ATOM 807 CD GLU A 53 -1.684 22.007 3.859 1.00 0.00 C ATOM 808 OE1 GLU A 53 -1.118 21.744 4.940 1.00 0.00 O ATOM 809 OE2 GLU A 53 -1.157 22.695 2.959 1.00 0.00 O ATOM 0 H GLU A 53 -4.370 20.059 5.313 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.195 22.257 4.955 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.307 23.216 3.679 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.806 22.643 5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.142 20.449 4.015 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.269 21.407 2.553 1.00 0.00 H new ATOM 816 N LEU A 54 -5.587 20.160 2.489 1.00 0.00 N ATOM 817 CA LEU A 54 -6.051 19.721 1.178 1.00 0.00 C ATOM 818 C LEU A 54 -7.551 19.441 1.198 1.00 0.00 C ATOM 819 O LEU A 54 -8.280 19.852 0.295 1.00 0.00 O ATOM 820 CB LEU A 54 -5.292 18.467 0.740 1.00 0.00 C ATOM 821 CG LEU A 54 -3.767 18.577 0.726 1.00 0.00 C ATOM 822 CD1 LEU A 54 -3.136 17.211 0.502 1.00 0.00 C ATOM 823 CD2 LEU A 54 -3.313 19.558 -0.345 1.00 0.00 C ATOM 0 H LEU A 54 -4.873 19.562 2.906 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.859 20.522 0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.571 17.648 1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.626 18.195 -0.261 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.440 18.952 1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.050 17.308 0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.435 16.536 1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.470 16.808 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.225 19.624 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.652 19.213 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.737 20.541 -0.141 1.00 0.00 H new ATOM 835 N ILE A 55 -8.003 18.741 2.233 1.00 0.00 N ATOM 836 CA ILE A 55 -9.416 18.409 2.371 1.00 0.00 C ATOM 837 C ILE A 55 -9.985 18.962 3.673 1.00 0.00 C ATOM 838 O ILE A 55 -9.374 18.834 4.733 1.00 0.00 O ATOM 839 CB ILE A 55 -9.643 16.886 2.330 1.00 0.00 C ATOM 840 CG1 ILE A 55 -9.126 16.307 1.011 1.00 0.00 C ATOM 841 CG2 ILE A 55 -11.119 16.566 2.512 1.00 0.00 C ATOM 842 CD1 ILE A 55 -9.228 14.800 0.933 1.00 0.00 C ATOM 0 H ILE A 55 -7.412 18.393 2.988 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.932 18.868 1.528 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.088 16.428 3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.688 16.745 0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.085 16.600 0.878 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.264 15.486 2.481 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.459 16.950 3.474 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.694 17.032 1.712 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.844 14.459 -0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.643 14.354 1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.271 14.500 1.034 1.00 0.00 H new ATOM 854 N ASN A 56 -11.161 19.575 3.585 1.00 0.00 N ATOM 855 CA ASN A 56 -11.815 20.147 4.756 1.00 0.00 C ATOM 856 C ASN A 56 -13.060 19.348 5.128 1.00 0.00 C ATOM 857 O ASN A 56 -14.167 19.666 4.694 1.00 0.00 O ATOM 858 CB ASN A 56 -12.191 21.607 4.495 1.00 0.00 C ATOM 859 CG ASN A 56 -12.514 21.868 3.037 1.00 0.00 C ATOM 860 OD1 ASN A 56 -11.806 22.610 2.356 1.00 0.00 O ATOM 861 ND2 ASN A 56 -13.589 21.258 2.551 1.00 0.00 N ATOM 0 H ASN A 56 -11.681 19.688 2.715 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.114 20.103 5.590 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.052 21.873 5.108 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -11.368 22.252 4.803 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.857 21.396 1.577 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -14.147 20.651 3.152 1.00 0.00 H new ATOM 868 N PHE A 57 -12.871 18.309 5.935 1.00 0.00 N ATOM 869 CA PHE A 57 -13.978 17.464 6.366 1.00 0.00 C ATOM 870 C PHE A 57 -15.097 18.303 6.976 1.00 0.00 C ATOM 871 O PHE A 57 -16.267 18.145 6.628 1.00 0.00 O ATOM 872 CB PHE A 57 -13.492 16.427 7.380 1.00 0.00 C ATOM 873 CG PHE A 57 -14.432 15.268 7.550 1.00 0.00 C ATOM 874 CD1 PHE A 57 -15.561 15.386 8.346 1.00 0.00 C ATOM 875 CD2 PHE A 57 -14.187 14.061 6.915 1.00 0.00 C ATOM 876 CE1 PHE A 57 -16.427 14.320 8.504 1.00 0.00 C ATOM 877 CE2 PHE A 57 -15.050 12.993 7.070 1.00 0.00 C ATOM 878 CZ PHE A 57 -16.172 13.123 7.865 1.00 0.00 C ATOM 0 H PHE A 57 -11.961 18.032 6.304 1.00 0.00 H new ATOM 0 HA PHE A 57 -14.371 16.948 5.490 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -12.518 16.052 7.065 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.349 16.913 8.345 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -15.766 16.320 8.848 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.311 13.954 6.292 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -17.303 14.424 9.127 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -14.847 12.057 6.570 1.00 0.00 H new ATOM 0 HZ PHE A 57 -16.848 12.290 7.987 1.00 0.00 H new ATOM 888 N ASP A 58 -14.729 19.194 7.890 1.00 0.00 N ATOM 889 CA ASP A 58 -15.700 20.059 8.549 1.00 0.00 C ATOM 890 C ASP A 58 -16.759 20.540 7.562 1.00 0.00 C ATOM 891 O ASP A 58 -17.936 20.652 7.903 1.00 0.00 O ATOM 892 CB ASP A 58 -14.997 21.259 9.187 1.00 0.00 C ATOM 893 CG ASP A 58 -15.974 22.313 9.670 1.00 0.00 C ATOM 894 OD1 ASP A 58 -16.651 22.070 10.691 1.00 0.00 O ATOM 895 OD2 ASP A 58 -16.062 23.380 9.027 1.00 0.00 O ATOM 0 H ASP A 58 -13.765 19.336 8.191 1.00 0.00 H new ATOM 0 HA ASP A 58 -16.193 19.480 9.329 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.391 20.917 10.026 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.315 21.704 8.462 1.00 0.00 H new ATOM 900 N SER A 59 -16.331 20.825 6.336 1.00 0.00 N ATOM 901 CA SER A 59 -17.240 21.299 5.299 1.00 0.00 C ATOM 902 C SER A 59 -17.983 20.133 4.654 1.00 0.00 C ATOM 903 O SER A 59 -19.197 20.191 4.450 1.00 0.00 O ATOM 904 CB SER A 59 -16.470 22.081 4.234 1.00 0.00 C ATOM 905 OG SER A 59 -16.226 23.412 4.654 1.00 0.00 O ATOM 0 H SER A 59 -15.360 20.736 6.037 1.00 0.00 H new ATOM 0 HA SER A 59 -17.971 21.959 5.765 1.00 0.00 H new ATOM 0 HB2 SER A 59 -15.523 21.583 4.026 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.037 22.088 3.303 1.00 0.00 H new ATOM 0 HG SER A 59 -15.731 23.890 3.956 1.00 0.00 H new ATOM 911 N LEU A 60 -17.246 19.076 4.333 1.00 0.00 N ATOM 912 CA LEU A 60 -17.833 17.894 3.710 1.00 0.00 C ATOM 913 C LEU A 60 -19.016 17.380 4.525 1.00 0.00 C ATOM 914 O LEU A 60 -18.867 17.013 5.689 1.00 0.00 O ATOM 915 CB LEU A 60 -16.781 16.793 3.566 1.00 0.00 C ATOM 916 CG LEU A 60 -15.530 17.161 2.768 1.00 0.00 C ATOM 917 CD1 LEU A 60 -14.503 16.041 2.841 1.00 0.00 C ATOM 918 CD2 LEU A 60 -15.890 17.463 1.321 1.00 0.00 C ATOM 0 H LEU A 60 -16.241 19.013 4.494 1.00 0.00 H new ATOM 0 HA LEU A 60 -18.192 18.176 2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.472 16.480 4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.249 15.930 3.092 1.00 0.00 H new ATOM 0 HG LEU A 60 -15.092 18.058 3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.619 16.320 2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.222 15.872 3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.931 15.128 2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.987 17.723 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.351 16.585 0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.590 18.298 1.287 1.00 0.00 H new ATOM 930 N ASN A 61 -20.190 17.355 3.902 1.00 0.00 N ATOM 931 CA ASN A 61 -21.399 16.884 4.569 1.00 0.00 C ATOM 932 C ASN A 61 -21.707 15.441 4.181 1.00 0.00 C ATOM 933 O ASN A 61 -21.158 14.919 3.211 1.00 0.00 O ATOM 934 CB ASN A 61 -22.585 17.783 4.215 1.00 0.00 C ATOM 935 CG ASN A 61 -23.919 17.107 4.467 1.00 0.00 C ATOM 936 OD1 ASN A 61 -24.208 16.676 5.583 1.00 0.00 O ATOM 937 ND2 ASN A 61 -24.738 17.009 3.426 1.00 0.00 N ATOM 0 H ASN A 61 -20.330 17.655 2.937 1.00 0.00 H new ATOM 0 HA ASN A 61 -21.230 16.924 5.645 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -22.529 18.700 4.801 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -22.519 18.070 3.166 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -25.648 16.562 3.534 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -24.456 17.381 2.519 1.00 0.00 H new ATOM 944 N GLU A 62 -22.588 14.803 4.945 1.00 0.00 N ATOM 945 CA GLU A 62 -22.968 13.421 4.681 1.00 0.00 C ATOM 946 C GLU A 62 -23.782 13.317 3.394 1.00 0.00 C ATOM 947 O GLU A 62 -23.631 12.366 2.627 1.00 0.00 O ATOM 948 CB GLU A 62 -23.774 12.857 5.853 1.00 0.00 C ATOM 949 CG GLU A 62 -24.378 11.491 5.576 1.00 0.00 C ATOM 950 CD GLU A 62 -25.126 10.930 6.770 1.00 0.00 C ATOM 951 OE1 GLU A 62 -24.463 10.530 7.750 1.00 0.00 O ATOM 952 OE2 GLU A 62 -26.373 10.891 6.725 1.00 0.00 O ATOM 0 H GLU A 62 -23.052 15.221 5.751 1.00 0.00 H new ATOM 0 HA GLU A 62 -22.055 12.837 4.562 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -23.127 12.788 6.728 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -24.574 13.555 6.102 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.058 11.564 4.728 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -23.586 10.799 5.291 1.00 0.00 H new ATOM 959 N ASP A 63 -24.644 14.301 3.165 1.00 0.00 N ATOM 960 CA ASP A 63 -25.481 14.322 1.971 1.00 0.00 C ATOM 961 C ASP A 63 -24.736 14.946 0.796 1.00 0.00 C ATOM 962 O ASP A 63 -25.337 15.282 -0.225 1.00 0.00 O ATOM 963 CB ASP A 63 -26.773 15.096 2.242 1.00 0.00 C ATOM 964 CG ASP A 63 -27.937 14.587 1.414 1.00 0.00 C ATOM 965 OD1 ASP A 63 -28.117 13.353 1.339 1.00 0.00 O ATOM 966 OD2 ASP A 63 -28.668 15.422 0.843 1.00 0.00 O ATOM 0 H ASP A 63 -24.782 15.095 3.790 1.00 0.00 H new ATOM 0 HA ASP A 63 -25.730 13.293 1.714 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -27.023 15.021 3.300 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -26.612 16.152 2.027 1.00 0.00 H new ATOM 971 N ASP A 64 -23.425 15.099 0.947 1.00 0.00 N ATOM 972 CA ASP A 64 -22.598 15.683 -0.102 1.00 0.00 C ATOM 973 C ASP A 64 -21.663 14.638 -0.702 1.00 0.00 C ATOM 974 O ASP A 64 -20.560 14.959 -1.146 1.00 0.00 O ATOM 975 CB ASP A 64 -21.785 16.855 0.452 1.00 0.00 C ATOM 976 CG ASP A 64 -22.560 18.157 0.433 1.00 0.00 C ATOM 977 OD1 ASP A 64 -23.559 18.243 -0.312 1.00 0.00 O ATOM 978 OD2 ASP A 64 -22.169 19.091 1.164 1.00 0.00 O ATOM 0 H ASP A 64 -22.912 14.827 1.786 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.258 16.049 -0.889 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -21.481 16.631 1.475 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -20.873 16.970 -0.134 1.00 0.00 H new ATOM 983 N ALA A 65 -22.110 13.387 -0.710 1.00 0.00 N ATOM 984 CA ALA A 65 -21.314 12.294 -1.256 1.00 0.00 C ATOM 985 C ALA A 65 -20.622 12.712 -2.549 1.00 0.00 C ATOM 986 O ALA A 65 -19.394 12.706 -2.639 1.00 0.00 O ATOM 987 CB ALA A 65 -22.187 11.072 -1.493 1.00 0.00 C ATOM 0 H ALA A 65 -23.019 13.105 -0.345 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.543 12.040 -0.528 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.579 10.264 -1.901 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -22.630 10.753 -0.550 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -22.979 11.322 -2.199 1.00 0.00 H new ATOM 993 N VAL A 66 -21.419 13.074 -3.550 1.00 0.00 N ATOM 994 CA VAL A 66 -20.883 13.495 -4.840 1.00 0.00 C ATOM 995 C VAL A 66 -19.672 14.404 -4.661 1.00 0.00 C ATOM 996 O VAL A 66 -18.607 14.151 -5.222 1.00 0.00 O ATOM 997 CB VAL A 66 -21.946 14.232 -5.675 1.00 0.00 C ATOM 998 CG1 VAL A 66 -21.355 14.706 -6.994 1.00 0.00 C ATOM 999 CG2 VAL A 66 -23.151 13.335 -5.914 1.00 0.00 C ATOM 0 H VAL A 66 -22.437 13.084 -3.493 1.00 0.00 H new ATOM 0 HA VAL A 66 -20.580 12.591 -5.368 1.00 0.00 H new ATOM 0 HB VAL A 66 -22.278 15.108 -5.117 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -22.121 15.225 -7.570 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -20.526 15.386 -6.798 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -20.994 13.848 -7.560 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -23.893 13.872 -6.506 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -22.837 12.440 -6.451 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -23.588 13.050 -4.957 1.00 0.00 H new ATOM 1009 N GLU A 67 -19.845 15.463 -3.876 1.00 0.00 N ATOM 1010 CA GLU A 67 -18.766 16.411 -3.624 1.00 0.00 C ATOM 1011 C GLU A 67 -17.582 15.721 -2.952 1.00 0.00 C ATOM 1012 O GLU A 67 -16.441 15.854 -3.392 1.00 0.00 O ATOM 1013 CB GLU A 67 -19.263 17.563 -2.749 1.00 0.00 C ATOM 1014 CG GLU A 67 -20.415 18.341 -3.363 1.00 0.00 C ATOM 1015 CD GLU A 67 -20.146 18.744 -4.800 1.00 0.00 C ATOM 1016 OE1 GLU A 67 -19.222 19.554 -5.025 1.00 0.00 O ATOM 1017 OE2 GLU A 67 -20.859 18.252 -5.699 1.00 0.00 O ATOM 0 H GLU A 67 -20.721 15.686 -3.404 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.436 16.810 -4.583 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.578 17.166 -1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.435 18.246 -2.558 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -21.320 17.735 -3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -20.603 19.235 -2.768 1.00 0.00 H new ATOM 1024 N ASN A 68 -17.864 14.984 -1.882 1.00 0.00 N ATOM 1025 CA ASN A 68 -16.823 14.274 -1.148 1.00 0.00 C ATOM 1026 C ASN A 68 -15.889 13.537 -2.103 1.00 0.00 C ATOM 1027 O ASN A 68 -14.689 13.805 -2.144 1.00 0.00 O ATOM 1028 CB ASN A 68 -17.449 13.283 -0.164 1.00 0.00 C ATOM 1029 CG ASN A 68 -17.705 13.902 1.196 1.00 0.00 C ATOM 1030 OD1 ASN A 68 -16.783 14.088 1.989 1.00 0.00 O ATOM 1031 ND2 ASN A 68 -18.964 14.225 1.472 1.00 0.00 N ATOM 0 H ASN A 68 -18.804 14.863 -1.505 1.00 0.00 H new ATOM 0 HA ASN A 68 -16.240 15.009 -0.593 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -18.388 12.912 -0.574 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -16.790 12.423 -0.050 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.197 14.645 2.372 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -19.697 14.053 0.784 1.00 0.00 H new ATOM 1038 N ASN A 69 -16.449 12.608 -2.871 1.00 0.00 N ATOM 1039 CA ASN A 69 -15.666 11.833 -3.827 1.00 0.00 C ATOM 1040 C ASN A 69 -14.915 12.750 -4.786 1.00 0.00 C ATOM 1041 O ASN A 69 -13.686 12.811 -4.767 1.00 0.00 O ATOM 1042 CB ASN A 69 -16.576 10.888 -4.615 1.00 0.00 C ATOM 1043 CG ASN A 69 -17.138 9.774 -3.753 1.00 0.00 C ATOM 1044 OD1 ASN A 69 -16.415 9.152 -2.974 1.00 0.00 O ATOM 1045 ND2 ASN A 69 -18.434 9.517 -3.889 1.00 0.00 N ATOM 0 H ASN A 69 -17.441 12.374 -2.850 1.00 0.00 H new ATOM 0 HA ASN A 69 -14.937 11.245 -3.270 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -17.398 11.457 -5.049 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -16.015 10.455 -5.443 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -18.868 8.779 -3.335 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -18.995 10.058 -4.547 1.00 0.00 H new ATOM 1052 N GLN A 70 -15.662 13.463 -5.622 1.00 0.00 N ATOM 1053 CA GLN A 70 -15.066 14.378 -6.589 1.00 0.00 C ATOM 1054 C GLN A 70 -13.876 15.112 -5.981 1.00 0.00 C ATOM 1055 O GLN A 70 -12.819 15.227 -6.603 1.00 0.00 O ATOM 1056 CB GLN A 70 -16.107 15.386 -7.078 1.00 0.00 C ATOM 1057 CG GLN A 70 -16.883 14.916 -8.298 1.00 0.00 C ATOM 1058 CD GLN A 70 -16.108 15.095 -9.588 1.00 0.00 C ATOM 1059 OE1 GLN A 70 -16.109 16.174 -10.181 1.00 0.00 O ATOM 1060 NE2 GLN A 70 -15.440 14.036 -10.030 1.00 0.00 N ATOM 0 H GLN A 70 -16.681 13.425 -5.650 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.713 13.791 -7.437 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.808 15.593 -6.269 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -15.608 16.325 -7.315 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -17.141 13.864 -8.177 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -17.820 15.468 -8.362 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -15.467 13.161 -9.506 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.900 14.097 -10.893 1.00 0.00 H new ATOM 1069 N LEU A 71 -14.054 15.609 -4.762 1.00 0.00 N ATOM 1070 CA LEU A 71 -12.994 16.334 -4.068 1.00 0.00 C ATOM 1071 C LEU A 71 -11.748 15.467 -3.922 1.00 0.00 C ATOM 1072 O LEU A 71 -10.686 15.795 -4.450 1.00 0.00 O ATOM 1073 CB LEU A 71 -13.478 16.789 -2.691 1.00 0.00 C ATOM 1074 CG LEU A 71 -12.476 17.592 -1.859 1.00 0.00 C ATOM 1075 CD1 LEU A 71 -12.028 18.833 -2.615 1.00 0.00 C ATOM 1076 CD2 LEU A 71 -13.082 17.973 -0.516 1.00 0.00 C ATOM 0 H LEU A 71 -14.922 15.524 -4.233 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.736 17.210 -4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -14.375 17.393 -2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.769 15.907 -2.121 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.602 16.968 -1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.316 19.392 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.554 18.538 -3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.893 19.461 -2.829 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.355 18.544 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.973 18.579 -0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.352 17.070 0.031 1.00 0.00 H new ATOM 1088 N ALA A 72 -11.886 14.358 -3.203 1.00 0.00 N ATOM 1089 CA ALA A 72 -10.772 13.441 -2.991 1.00 0.00 C ATOM 1090 C ALA A 72 -10.040 13.155 -4.298 1.00 0.00 C ATOM 1091 O ALA A 72 -8.820 13.298 -4.382 1.00 0.00 O ATOM 1092 CB ALA A 72 -11.267 12.146 -2.365 1.00 0.00 C ATOM 0 H ALA A 72 -12.758 14.073 -2.757 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.067 13.915 -2.308 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.425 11.471 -2.212 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.737 12.362 -1.406 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -11.994 11.676 -3.028 1.00 0.00 H new ATOM 1098 N PHE A 73 -10.793 12.749 -5.315 1.00 0.00 N ATOM 1099 CA PHE A 73 -10.215 12.440 -6.618 1.00 0.00 C ATOM 1100 C PHE A 73 -9.389 13.613 -7.138 1.00 0.00 C ATOM 1101 O PHE A 73 -8.250 13.440 -7.573 1.00 0.00 O ATOM 1102 CB PHE A 73 -11.318 12.094 -7.620 1.00 0.00 C ATOM 1103 CG PHE A 73 -12.115 10.879 -7.239 1.00 0.00 C ATOM 1104 CD1 PHE A 73 -11.490 9.765 -6.702 1.00 0.00 C ATOM 1105 CD2 PHE A 73 -13.488 10.851 -7.418 1.00 0.00 C ATOM 1106 CE1 PHE A 73 -12.220 8.646 -6.350 1.00 0.00 C ATOM 1107 CE2 PHE A 73 -14.224 9.735 -7.067 1.00 0.00 C ATOM 1108 CZ PHE A 73 -13.589 8.630 -6.534 1.00 0.00 C ATOM 0 H PHE A 73 -11.804 12.626 -5.262 1.00 0.00 H new ATOM 0 HA PHE A 73 -9.557 11.579 -6.501 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.992 12.946 -7.715 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.870 11.932 -8.600 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -10.420 9.771 -6.557 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -13.989 11.711 -7.837 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -11.721 7.785 -5.931 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -15.295 9.727 -7.209 1.00 0.00 H new ATOM 0 HZ PHE A 73 -14.162 7.756 -6.262 1.00 0.00 H new ATOM 1118 N ASP A 74 -9.971 14.806 -7.090 1.00 0.00 N ATOM 1119 CA ASP A 74 -9.290 16.008 -7.556 1.00 0.00 C ATOM 1120 C ASP A 74 -7.966 16.201 -6.823 1.00 0.00 C ATOM 1121 O ASP A 74 -6.940 16.492 -7.438 1.00 0.00 O ATOM 1122 CB ASP A 74 -10.182 17.235 -7.356 1.00 0.00 C ATOM 1123 CG ASP A 74 -9.881 18.338 -8.351 1.00 0.00 C ATOM 1124 OD1 ASP A 74 -9.674 18.023 -9.542 1.00 0.00 O ATOM 1125 OD2 ASP A 74 -9.852 19.517 -7.939 1.00 0.00 O ATOM 0 H ASP A 74 -10.913 14.967 -6.733 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.082 15.889 -8.619 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.227 16.940 -7.450 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.048 17.616 -6.344 1.00 0.00 H new ATOM 1130 N VAL A 75 -7.996 16.039 -5.504 1.00 0.00 N ATOM 1131 CA VAL A 75 -6.799 16.196 -4.687 1.00 0.00 C ATOM 1132 C VAL A 75 -5.749 15.150 -5.045 1.00 0.00 C ATOM 1133 O VAL A 75 -4.561 15.456 -5.140 1.00 0.00 O ATOM 1134 CB VAL A 75 -7.126 16.086 -3.185 1.00 0.00 C ATOM 1135 CG1 VAL A 75 -5.859 16.209 -2.353 1.00 0.00 C ATOM 1136 CG2 VAL A 75 -8.143 17.143 -2.783 1.00 0.00 C ATOM 0 H VAL A 75 -8.837 15.799 -4.978 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.403 17.190 -4.893 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.562 15.105 -2.996 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.109 16.129 -1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.167 15.411 -2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.391 17.175 -2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.362 17.051 -1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.737 18.134 -2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.060 17.003 -3.356 1.00 0.00 H new ATOM 1146 N ALA A 76 -6.196 13.914 -5.242 1.00 0.00 N ATOM 1147 CA ALA A 76 -5.295 12.823 -5.592 1.00 0.00 C ATOM 1148 C ALA A 76 -4.627 13.074 -6.939 1.00 0.00 C ATOM 1149 O ALA A 76 -3.501 12.637 -7.174 1.00 0.00 O ATOM 1150 CB ALA A 76 -6.050 11.502 -5.613 1.00 0.00 C ATOM 0 H ALA A 76 -7.176 13.643 -5.165 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.514 12.771 -4.833 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.365 10.696 -5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.475 11.310 -4.628 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.851 11.552 -6.350 1.00 0.00 H new ATOM 1156 N GLU A 77 -5.329 13.779 -7.821 1.00 0.00 N ATOM 1157 CA GLU A 77 -4.802 14.086 -9.146 1.00 0.00 C ATOM 1158 C GLU A 77 -4.113 15.448 -9.155 1.00 0.00 C ATOM 1159 O GLU A 77 -3.404 15.789 -10.101 1.00 0.00 O ATOM 1160 CB GLU A 77 -5.926 14.063 -10.183 1.00 0.00 C ATOM 1161 CG GLU A 77 -5.438 13.837 -11.604 1.00 0.00 C ATOM 1162 CD GLU A 77 -6.327 14.499 -12.639 1.00 0.00 C ATOM 1163 OE1 GLU A 77 -6.096 15.687 -12.946 1.00 0.00 O ATOM 1164 OE2 GLU A 77 -7.254 13.829 -13.142 1.00 0.00 O ATOM 0 H GLU A 77 -6.263 14.148 -7.642 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.066 13.324 -9.402 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.634 13.277 -9.922 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.468 15.008 -10.140 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.424 14.224 -11.701 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.392 12.766 -11.802 1.00 0.00 H new ATOM 1171 N ARG A 78 -4.329 16.221 -8.096 1.00 0.00 N ATOM 1172 CA ARG A 78 -3.731 17.545 -7.983 1.00 0.00 C ATOM 1173 C ARG A 78 -2.411 17.483 -7.220 1.00 0.00 C ATOM 1174 O ARG A 78 -1.487 18.247 -7.496 1.00 0.00 O ATOM 1175 CB ARG A 78 -4.694 18.504 -7.280 1.00 0.00 C ATOM 1176 CG ARG A 78 -4.070 19.845 -6.929 1.00 0.00 C ATOM 1177 CD ARG A 78 -4.715 20.454 -5.694 1.00 0.00 C ATOM 1178 NE ARG A 78 -4.362 21.861 -5.529 1.00 0.00 N ATOM 1179 CZ ARG A 78 -4.414 22.500 -4.366 1.00 0.00 C ATOM 1180 NH1 ARG A 78 -4.801 21.861 -3.271 1.00 0.00 N ATOM 1181 NH2 ARG A 78 -4.076 23.782 -4.296 1.00 0.00 N ATOM 0 H ARG A 78 -4.914 15.953 -7.304 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.532 17.913 -8.989 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.559 18.672 -7.922 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.061 18.033 -6.368 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.001 19.716 -6.757 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.177 20.529 -7.771 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.798 20.358 -5.766 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.404 19.896 -4.811 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.059 22.382 -6.352 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.060 20.876 -3.320 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.840 22.355 -2.379 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.776 24.277 -5.136 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.116 24.272 -3.402 1.00 0.00 H new ATOM 1195 N GLU A 79 -2.332 16.568 -6.258 1.00 0.00 N ATOM 1196 CA GLU A 79 -1.126 16.408 -5.455 1.00 0.00 C ATOM 1197 C GLU A 79 -0.339 15.176 -5.895 1.00 0.00 C ATOM 1198 O GLU A 79 0.846 15.266 -6.220 1.00 0.00 O ATOM 1199 CB GLU A 79 -1.485 16.293 -3.972 1.00 0.00 C ATOM 1200 CG GLU A 79 -2.023 17.583 -3.375 1.00 0.00 C ATOM 1201 CD GLU A 79 -0.923 18.560 -3.009 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -0.101 18.227 -2.131 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -0.884 19.659 -3.602 1.00 0.00 O ATOM 0 H GLU A 79 -3.088 15.927 -6.017 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.502 17.290 -5.603 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.229 15.506 -3.847 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.600 15.986 -3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.700 18.054 -4.088 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.608 17.351 -2.485 1.00 0.00 H new ATOM 1210 N PHE A 80 -1.005 14.027 -5.903 1.00 0.00 N ATOM 1211 CA PHE A 80 -0.369 12.777 -6.301 1.00 0.00 C ATOM 1212 C PHE A 80 -0.409 12.605 -7.817 1.00 0.00 C ATOM 1213 O PHE A 80 0.384 11.858 -8.389 1.00 0.00 O ATOM 1214 CB PHE A 80 -1.059 11.590 -5.624 1.00 0.00 C ATOM 1215 CG PHE A 80 -1.360 11.822 -4.171 1.00 0.00 C ATOM 1216 CD1 PHE A 80 -0.392 12.334 -3.322 1.00 0.00 C ATOM 1217 CD2 PHE A 80 -2.612 11.528 -3.654 1.00 0.00 C ATOM 1218 CE1 PHE A 80 -0.667 12.547 -1.984 1.00 0.00 C ATOM 1219 CE2 PHE A 80 -2.892 11.740 -2.317 1.00 0.00 C ATOM 1220 CZ PHE A 80 -1.919 12.251 -1.481 1.00 0.00 C ATOM 0 H PHE A 80 -1.986 13.935 -5.638 1.00 0.00 H new ATOM 0 HA PHE A 80 0.673 12.812 -5.984 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.989 11.372 -6.149 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.425 10.708 -5.719 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.588 12.569 -3.710 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.377 11.129 -4.303 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.097 12.945 -1.332 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.871 11.506 -1.926 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.136 12.419 -0.436 1.00 0.00 H new ATOM 1230 N GLY A 81 -1.339 13.303 -8.461 1.00 0.00 N ATOM 1231 CA GLY A 81 -1.466 13.214 -9.904 1.00 0.00 C ATOM 1232 C GLY A 81 -1.938 11.848 -10.362 1.00 0.00 C ATOM 1233 O GLY A 81 -1.534 11.367 -11.421 1.00 0.00 O ATOM 0 H GLY A 81 -2.007 13.928 -8.010 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.168 13.973 -10.251 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.503 13.435 -10.365 1.00 0.00 H new ATOM 1237 N ILE A 82 -2.792 11.220 -9.561 1.00 0.00 N ATOM 1238 CA ILE A 82 -3.318 9.901 -9.889 1.00 0.00 C ATOM 1239 C ILE A 82 -4.722 9.999 -10.476 1.00 0.00 C ATOM 1240 O ILE A 82 -5.643 10.536 -9.860 1.00 0.00 O ATOM 1241 CB ILE A 82 -3.353 8.985 -8.652 1.00 0.00 C ATOM 1242 CG1 ILE A 82 -1.938 8.759 -8.117 1.00 0.00 C ATOM 1243 CG2 ILE A 82 -4.014 7.658 -8.994 1.00 0.00 C ATOM 1244 CD1 ILE A 82 -1.900 7.988 -6.815 1.00 0.00 C ATOM 0 H ILE A 82 -3.134 11.604 -8.680 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.646 9.469 -10.631 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.941 9.472 -7.874 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.357 8.221 -8.866 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.454 9.725 -7.972 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.031 7.021 -8.109 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.035 7.836 -9.333 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.450 7.164 -9.786 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.865 7.865 -6.495 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.453 8.535 -6.052 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.354 7.008 -6.959 1.00 0.00 H new ATOM 1256 N PRO A 83 -4.893 9.466 -11.695 1.00 0.00 N ATOM 1257 CA PRO A 83 -6.183 9.479 -12.391 1.00 0.00 C ATOM 1258 C PRO A 83 -7.204 8.554 -11.736 1.00 0.00 C ATOM 1259 O PRO A 83 -6.967 7.360 -11.551 1.00 0.00 O ATOM 1260 CB PRO A 83 -5.833 8.980 -13.795 1.00 0.00 C ATOM 1261 CG PRO A 83 -4.601 8.163 -13.611 1.00 0.00 C ATOM 1262 CD PRO A 83 -3.840 8.809 -12.487 1.00 0.00 C ATOM 0 HA PRO A 83 -6.644 10.467 -12.377 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.643 8.385 -14.217 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -5.658 9.811 -14.478 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.850 7.130 -13.370 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.006 8.143 -14.524 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -3.293 8.073 -11.897 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -3.109 9.527 -12.858 1.00 0.00 H new ATOM 1270 N PRO A 84 -8.367 9.117 -11.377 1.00 0.00 N ATOM 1271 CA PRO A 84 -9.448 8.360 -10.738 1.00 0.00 C ATOM 1272 C PRO A 84 -10.108 7.373 -11.694 1.00 0.00 C ATOM 1273 O PRO A 84 -10.322 7.678 -12.868 1.00 0.00 O ATOM 1274 CB PRO A 84 -10.443 9.446 -10.320 1.00 0.00 C ATOM 1275 CG PRO A 84 -10.189 10.574 -11.260 1.00 0.00 C ATOM 1276 CD PRO A 84 -8.718 10.534 -11.566 1.00 0.00 C ATOM 0 HA PRO A 84 -9.085 7.753 -9.909 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.471 9.091 -10.396 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.286 9.750 -9.285 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.780 10.465 -12.169 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.468 11.527 -10.811 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.510 10.867 -12.583 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.151 11.181 -10.897 1.00 0.00 H new ATOM 1284 N VAL A 85 -10.430 6.187 -11.185 1.00 0.00 N ATOM 1285 CA VAL A 85 -11.067 5.155 -11.994 1.00 0.00 C ATOM 1286 C VAL A 85 -12.540 5.473 -12.230 1.00 0.00 C ATOM 1287 O VAL A 85 -13.104 5.124 -13.267 1.00 0.00 O ATOM 1288 CB VAL A 85 -10.953 3.771 -11.330 1.00 0.00 C ATOM 1289 CG1 VAL A 85 -9.499 3.446 -11.019 1.00 0.00 C ATOM 1290 CG2 VAL A 85 -11.802 3.713 -10.069 1.00 0.00 C ATOM 0 H VAL A 85 -10.260 5.918 -10.216 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.544 5.135 -12.950 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.327 3.021 -12.027 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -9.438 2.464 -10.550 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.921 3.443 -11.943 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -9.095 4.198 -10.341 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.709 2.727 -9.613 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.461 4.472 -9.365 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.845 3.898 -10.324 1.00 0.00 H new ATOM 1300 N THR A 86 -13.159 6.139 -11.260 1.00 0.00 N ATOM 1301 CA THR A 86 -14.566 6.504 -11.360 1.00 0.00 C ATOM 1302 C THR A 86 -14.804 7.921 -10.851 1.00 0.00 C ATOM 1303 O THR A 86 -13.986 8.473 -10.114 1.00 0.00 O ATOM 1304 CB THR A 86 -15.457 5.529 -10.568 1.00 0.00 C ATOM 1305 OG1 THR A 86 -16.838 5.802 -10.833 1.00 0.00 O ATOM 1306 CG2 THR A 86 -15.190 5.643 -9.075 1.00 0.00 C ATOM 0 H THR A 86 -12.707 6.437 -10.395 1.00 0.00 H new ATOM 0 HA THR A 86 -14.832 6.451 -12.416 1.00 0.00 H new ATOM 0 HB THR A 86 -15.220 4.514 -10.887 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.398 5.177 -10.327 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.831 4.945 -8.536 1.00 0.00 H new ATOM 0 HG22 THR A 86 -14.145 5.406 -8.873 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.402 6.660 -8.744 1.00 0.00 H new ATOM 1314 N THR A 87 -15.931 8.506 -11.247 1.00 0.00 N ATOM 1315 CA THR A 87 -16.277 9.859 -10.830 1.00 0.00 C ATOM 1316 C THR A 87 -17.189 9.842 -9.610 1.00 0.00 C ATOM 1317 O THR A 87 -17.890 8.862 -9.359 1.00 0.00 O ATOM 1318 CB THR A 87 -16.970 10.636 -11.965 1.00 0.00 C ATOM 1319 OG1 THR A 87 -18.141 9.932 -12.396 1.00 0.00 O ATOM 1320 CG2 THR A 87 -16.027 10.830 -13.143 1.00 0.00 C ATOM 0 H THR A 87 -16.619 8.063 -11.856 1.00 0.00 H new ATOM 0 HA THR A 87 -15.343 10.360 -10.574 1.00 0.00 H new ATOM 0 HB THR A 87 -17.255 11.616 -11.583 1.00 0.00 H new ATOM 0 HG1 THR A 87 -18.577 10.433 -13.117 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.539 11.381 -13.932 1.00 0.00 H new ATOM 0 HG22 THR A 87 -15.150 11.391 -12.819 1.00 0.00 H new ATOM 0 HG23 THR A 87 -15.715 9.857 -13.524 1.00 0.00 H new ATOM 1328 N GLY A 88 -17.177 10.935 -8.852 1.00 0.00 N ATOM 1329 CA GLY A 88 -18.008 11.024 -7.666 1.00 0.00 C ATOM 1330 C GLY A 88 -19.460 10.692 -7.949 1.00 0.00 C ATOM 1331 O GLY A 88 -20.087 9.933 -7.210 1.00 0.00 O ATOM 0 H GLY A 88 -16.607 11.760 -9.039 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.625 10.344 -6.906 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -17.942 12.031 -7.255 1.00 0.00 H new ATOM 1335 N LYS A 89 -19.997 11.263 -9.022 1.00 0.00 N ATOM 1336 CA LYS A 89 -21.384 11.025 -9.402 1.00 0.00 C ATOM 1337 C LYS A 89 -21.659 9.532 -9.552 1.00 0.00 C ATOM 1338 O LYS A 89 -22.619 9.009 -8.988 1.00 0.00 O ATOM 1339 CB LYS A 89 -21.707 11.748 -10.712 1.00 0.00 C ATOM 1340 CG LYS A 89 -21.974 13.233 -10.537 1.00 0.00 C ATOM 1341 CD LYS A 89 -22.921 13.758 -11.602 1.00 0.00 C ATOM 1342 CE LYS A 89 -24.362 13.367 -11.309 1.00 0.00 C ATOM 1343 NZ LYS A 89 -25.294 13.856 -12.362 1.00 0.00 N ATOM 0 H LYS A 89 -19.492 11.894 -9.644 1.00 0.00 H new ATOM 0 HA LYS A 89 -22.023 11.417 -8.611 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -20.876 11.616 -11.405 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -22.580 11.282 -11.169 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -22.399 13.413 -9.550 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -21.033 13.781 -10.584 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -22.842 14.844 -11.658 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -22.628 13.367 -12.576 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -24.436 12.282 -11.234 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -24.660 13.774 -10.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -26.265 13.569 -12.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -25.243 14.893 -12.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -25.026 13.447 -13.280 1.00 0.00 H new ATOM 1357 N GLU A 90 -20.808 8.852 -10.315 1.00 0.00 N ATOM 1358 CA GLU A 90 -20.959 7.419 -10.537 1.00 0.00 C ATOM 1359 C GLU A 90 -20.654 6.635 -9.264 1.00 0.00 C ATOM 1360 O GLU A 90 -21.218 5.566 -9.031 1.00 0.00 O ATOM 1361 CB GLU A 90 -20.038 6.956 -11.668 1.00 0.00 C ATOM 1362 CG GLU A 90 -20.488 5.664 -12.329 1.00 0.00 C ATOM 1363 CD GLU A 90 -19.364 4.964 -13.068 1.00 0.00 C ATOM 1364 OE1 GLU A 90 -18.771 5.589 -13.973 1.00 0.00 O ATOM 1365 OE2 GLU A 90 -19.077 3.794 -12.742 1.00 0.00 O ATOM 0 H GLU A 90 -20.008 9.271 -10.789 1.00 0.00 H new ATOM 0 HA GLU A 90 -21.994 7.229 -10.820 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -19.981 7.740 -12.423 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -19.031 6.821 -11.273 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -20.892 4.994 -11.570 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -21.297 5.880 -13.027 1.00 0.00 H new ATOM 1372 N MET A 91 -19.759 7.175 -8.444 1.00 0.00 N ATOM 1373 CA MET A 91 -19.379 6.527 -7.194 1.00 0.00 C ATOM 1374 C MET A 91 -20.538 6.537 -6.203 1.00 0.00 C ATOM 1375 O MET A 91 -20.753 5.568 -5.476 1.00 0.00 O ATOM 1376 CB MET A 91 -18.163 7.225 -6.582 1.00 0.00 C ATOM 1377 CG MET A 91 -17.389 6.353 -5.607 1.00 0.00 C ATOM 1378 SD MET A 91 -16.832 4.807 -6.348 1.00 0.00 S ATOM 1379 CE MET A 91 -17.079 3.670 -4.987 1.00 0.00 C ATOM 0 H MET A 91 -19.283 8.059 -8.622 1.00 0.00 H new ATOM 0 HA MET A 91 -19.121 5.491 -7.414 1.00 0.00 H new ATOM 0 HB2 MET A 91 -17.495 7.542 -7.383 1.00 0.00 H new ATOM 0 HB3 MET A 91 -18.493 8.127 -6.067 1.00 0.00 H new ATOM 0 HG2 MET A 91 -16.525 6.906 -5.238 1.00 0.00 H new ATOM 0 HG3 MET A 91 -18.018 6.132 -4.745 1.00 0.00 H new ATOM 0 HE1 MET A 91 -17.020 2.645 -5.354 1.00 0.00 H new ATOM 0 HE2 MET A 91 -16.308 3.831 -4.234 1.00 0.00 H new ATOM 0 HE3 MET A 91 -18.060 3.841 -4.544 1.00 0.00 H new ATOM 1389 N ALA A 92 -21.281 7.639 -6.179 1.00 0.00 N ATOM 1390 CA ALA A 92 -22.419 7.774 -5.278 1.00 0.00 C ATOM 1391 C ALA A 92 -23.634 7.022 -5.811 1.00 0.00 C ATOM 1392 O ALA A 92 -24.419 6.467 -5.042 1.00 0.00 O ATOM 1393 CB ALA A 92 -22.755 9.243 -5.069 1.00 0.00 C ATOM 0 H ALA A 92 -21.115 8.451 -6.773 1.00 0.00 H new ATOM 0 HA ALA A 92 -22.145 7.335 -4.319 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -23.607 9.329 -4.394 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -21.896 9.755 -4.636 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -23.004 9.699 -6.027 1.00 0.00 H new ATOM 1399 N SER A 93 -23.782 7.007 -7.132 1.00 0.00 N ATOM 1400 CA SER A 93 -24.904 6.327 -7.768 1.00 0.00 C ATOM 1401 C SER A 93 -24.747 4.812 -7.671 1.00 0.00 C ATOM 1402 O SER A 93 -25.656 4.110 -7.232 1.00 0.00 O ATOM 1403 CB SER A 93 -25.017 6.746 -9.234 1.00 0.00 C ATOM 1404 OG SER A 93 -23.902 6.293 -9.982 1.00 0.00 O ATOM 0 H SER A 93 -23.139 7.458 -7.783 1.00 0.00 H new ATOM 0 HA SER A 93 -25.815 6.615 -7.244 1.00 0.00 H new ATOM 0 HB2 SER A 93 -25.934 6.341 -9.661 1.00 0.00 H new ATOM 0 HB3 SER A 93 -25.087 7.832 -9.301 1.00 0.00 H new ATOM 0 HG SER A 93 -24.071 6.430 -10.937 1.00 0.00 H new ATOM 1410 N ALA A 94 -23.585 4.317 -8.084 1.00 0.00 N ATOM 1411 CA ALA A 94 -23.306 2.887 -8.042 1.00 0.00 C ATOM 1412 C ALA A 94 -23.619 2.306 -6.667 1.00 0.00 C ATOM 1413 O ALA A 94 -22.917 2.580 -5.694 1.00 0.00 O ATOM 1414 CB ALA A 94 -21.854 2.621 -8.411 1.00 0.00 C ATOM 0 H ALA A 94 -22.822 4.885 -8.451 1.00 0.00 H new ATOM 0 HA ALA A 94 -23.951 2.395 -8.771 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -21.660 1.549 -8.375 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -21.661 2.992 -9.418 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.200 3.132 -7.705 1.00 0.00 H new ATOM 1420 N GLN A 95 -24.677 1.505 -6.595 1.00 0.00 N ATOM 1421 CA GLN A 95 -25.083 0.887 -5.338 1.00 0.00 C ATOM 1422 C GLN A 95 -23.984 -0.023 -4.799 1.00 0.00 C ATOM 1423 O GLN A 95 -23.551 0.122 -3.657 1.00 0.00 O ATOM 1424 CB GLN A 95 -26.374 0.090 -5.531 1.00 0.00 C ATOM 1425 CG GLN A 95 -27.499 0.897 -6.158 1.00 0.00 C ATOM 1426 CD GLN A 95 -28.353 1.608 -5.126 1.00 0.00 C ATOM 1427 OE1 GLN A 95 -29.297 1.034 -4.583 1.00 0.00 O ATOM 1428 NE2 GLN A 95 -28.024 2.864 -4.849 1.00 0.00 N ATOM 0 H GLN A 95 -25.268 1.269 -7.392 1.00 0.00 H new ATOM 0 HA GLN A 95 -25.260 1.681 -4.612 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -26.166 -0.776 -6.159 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -26.705 -0.289 -4.564 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -27.076 1.632 -6.843 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -28.129 0.235 -6.751 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -27.233 3.301 -5.323 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -28.562 3.392 -4.162 1.00 0.00 H new ATOM 1437 N GLU A 96 -23.539 -0.961 -5.630 1.00 0.00 N ATOM 1438 CA GLU A 96 -22.492 -1.895 -5.235 1.00 0.00 C ATOM 1439 C GLU A 96 -21.391 -1.956 -6.290 1.00 0.00 C ATOM 1440 O GLU A 96 -21.492 -2.669 -7.289 1.00 0.00 O ATOM 1441 CB GLU A 96 -23.079 -3.291 -5.015 1.00 0.00 C ATOM 1442 CG GLU A 96 -22.164 -4.221 -4.236 1.00 0.00 C ATOM 1443 CD GLU A 96 -22.796 -5.573 -3.969 1.00 0.00 C ATOM 1444 OE1 GLU A 96 -22.863 -6.392 -4.910 1.00 0.00 O ATOM 1445 OE2 GLU A 96 -23.223 -5.812 -2.821 1.00 0.00 O ATOM 0 H GLU A 96 -23.887 -1.094 -6.580 1.00 0.00 H new ATOM 0 HA GLU A 96 -22.058 -1.539 -4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -24.026 -3.198 -4.483 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -23.300 -3.740 -5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -21.237 -4.361 -4.791 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -21.900 -3.754 -3.287 1.00 0.00 H new ATOM 1452 N PRO A 97 -20.313 -1.190 -6.064 1.00 0.00 N ATOM 1453 CA PRO A 97 -19.172 -1.139 -6.983 1.00 0.00 C ATOM 1454 C PRO A 97 -18.371 -2.436 -6.986 1.00 0.00 C ATOM 1455 O PRO A 97 -18.679 -3.369 -6.243 1.00 0.00 O ATOM 1456 CB PRO A 97 -18.325 0.011 -6.433 1.00 0.00 C ATOM 1457 CG PRO A 97 -18.678 0.084 -4.988 1.00 0.00 C ATOM 1458 CD PRO A 97 -20.125 -0.316 -4.894 1.00 0.00 C ATOM 0 HA PRO A 97 -19.488 -0.998 -8.017 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -17.261 -0.180 -6.571 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.550 0.948 -6.943 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -18.050 -0.584 -4.399 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.525 1.091 -4.599 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -20.337 -0.840 -3.962 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -20.785 0.551 -4.930 1.00 0.00 H new ATOM 1466 N ASP A 98 -17.342 -2.489 -7.825 1.00 0.00 N ATOM 1467 CA ASP A 98 -16.496 -3.673 -7.923 1.00 0.00 C ATOM 1468 C ASP A 98 -15.371 -3.623 -6.893 1.00 0.00 C ATOM 1469 O ASP A 98 -14.628 -2.645 -6.816 1.00 0.00 O ATOM 1470 CB ASP A 98 -15.910 -3.792 -9.331 1.00 0.00 C ATOM 1471 CG ASP A 98 -16.860 -4.470 -10.298 1.00 0.00 C ATOM 1472 OD1 ASP A 98 -16.938 -5.716 -10.277 1.00 0.00 O ATOM 1473 OD2 ASP A 98 -17.525 -3.756 -11.077 1.00 0.00 O ATOM 0 H ASP A 98 -17.074 -1.726 -8.447 1.00 0.00 H new ATOM 0 HA ASP A 98 -17.113 -4.548 -7.719 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.664 -2.798 -9.704 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.978 -4.355 -9.287 1.00 0.00 H new ATOM 1478 N LYS A 99 -15.253 -4.684 -6.103 1.00 0.00 N ATOM 1479 CA LYS A 99 -14.220 -4.763 -5.077 1.00 0.00 C ATOM 1480 C LYS A 99 -12.835 -4.565 -5.684 1.00 0.00 C ATOM 1481 O LYS A 99 -12.005 -3.837 -5.138 1.00 0.00 O ATOM 1482 CB LYS A 99 -14.286 -6.114 -4.360 1.00 0.00 C ATOM 1483 CG LYS A 99 -15.306 -6.157 -3.236 1.00 0.00 C ATOM 1484 CD LYS A 99 -14.950 -7.210 -2.200 1.00 0.00 C ATOM 1485 CE LYS A 99 -13.982 -6.664 -1.161 1.00 0.00 C ATOM 1486 NZ LYS A 99 -12.569 -6.750 -1.621 1.00 0.00 N ATOM 0 H LYS A 99 -15.860 -5.502 -6.153 1.00 0.00 H new ATOM 0 HA LYS A 99 -14.399 -3.966 -4.355 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -14.526 -6.890 -5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.302 -6.349 -3.955 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -15.363 -5.179 -2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -16.293 -6.369 -3.647 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -15.857 -7.558 -1.706 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.505 -8.073 -2.695 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -14.231 -5.625 -0.943 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.096 -7.221 -0.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.943 -6.868 -0.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.461 -7.564 -2.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.315 -5.878 -2.127 1.00 0.00 H new ATOM 1500 N LEU A 100 -12.591 -5.216 -6.816 1.00 0.00 N ATOM 1501 CA LEU A 100 -11.306 -5.110 -7.498 1.00 0.00 C ATOM 1502 C LEU A 100 -10.982 -3.656 -7.825 1.00 0.00 C ATOM 1503 O LEU A 100 -10.001 -3.101 -7.329 1.00 0.00 O ATOM 1504 CB LEU A 100 -11.317 -5.943 -8.781 1.00 0.00 C ATOM 1505 CG LEU A 100 -9.984 -6.575 -9.183 1.00 0.00 C ATOM 1506 CD1 LEU A 100 -8.972 -5.499 -9.547 1.00 0.00 C ATOM 1507 CD2 LEU A 100 -9.450 -7.453 -8.061 1.00 0.00 C ATOM 0 H LEU A 100 -13.266 -5.823 -7.281 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.535 -5.494 -6.830 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.054 -6.738 -8.668 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.657 -5.308 -9.599 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.150 -7.201 -10.060 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.029 -5.967 -9.830 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.351 -4.911 -10.383 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.810 -4.847 -8.689 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.501 -7.894 -8.365 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.299 -6.849 -7.166 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.167 -8.246 -7.847 1.00 0.00 H new ATOM 1519 N SER A 101 -11.813 -3.044 -8.663 1.00 0.00 N ATOM 1520 CA SER A 101 -11.614 -1.654 -9.058 1.00 0.00 C ATOM 1521 C SER A 101 -11.278 -0.788 -7.847 1.00 0.00 C ATOM 1522 O SER A 101 -10.577 0.217 -7.965 1.00 0.00 O ATOM 1523 CB SER A 101 -12.865 -1.115 -9.754 1.00 0.00 C ATOM 1524 OG SER A 101 -13.972 -1.095 -8.869 1.00 0.00 O ATOM 0 H SER A 101 -12.630 -3.489 -9.081 1.00 0.00 H new ATOM 0 HA SER A 101 -10.776 -1.616 -9.754 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.673 -0.108 -10.125 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.099 -1.734 -10.620 1.00 0.00 H new ATOM 0 HG SER A 101 -13.913 -1.855 -8.254 1.00 0.00 H new ATOM 1530 N MET A 102 -11.785 -1.185 -6.685 1.00 0.00 N ATOM 1531 CA MET A 102 -11.538 -0.447 -5.452 1.00 0.00 C ATOM 1532 C MET A 102 -10.156 -0.768 -4.893 1.00 0.00 C ATOM 1533 O MET A 102 -9.422 0.127 -4.473 1.00 0.00 O ATOM 1534 CB MET A 102 -12.611 -0.776 -4.412 1.00 0.00 C ATOM 1535 CG MET A 102 -13.854 0.091 -4.525 1.00 0.00 C ATOM 1536 SD MET A 102 -13.757 1.580 -3.511 1.00 0.00 S ATOM 1537 CE MET A 102 -12.223 2.292 -4.102 1.00 0.00 C ATOM 0 H MET A 102 -12.369 -2.013 -6.571 1.00 0.00 H new ATOM 0 HA MET A 102 -11.579 0.618 -5.681 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.897 -1.822 -4.516 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.186 -0.660 -3.415 1.00 0.00 H new ATOM 0 HG2 MET A 102 -14.001 0.375 -5.567 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.726 -0.491 -4.227 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.051 3.248 -3.607 1.00 0.00 H new ATOM 0 HE2 MET A 102 -11.398 1.615 -3.880 1.00 0.00 H new ATOM 0 HE3 MET A 102 -12.285 2.447 -5.179 1.00 0.00 H new ATOM 1547 N VAL A 103 -9.807 -2.050 -4.890 1.00 0.00 N ATOM 1548 CA VAL A 103 -8.512 -2.489 -4.383 1.00 0.00 C ATOM 1549 C VAL A 103 -7.376 -1.982 -5.265 1.00 0.00 C ATOM 1550 O VAL A 103 -6.405 -1.408 -4.774 1.00 0.00 O ATOM 1551 CB VAL A 103 -8.434 -4.025 -4.297 1.00 0.00 C ATOM 1552 CG1 VAL A 103 -7.068 -4.462 -3.789 1.00 0.00 C ATOM 1553 CG2 VAL A 103 -9.541 -4.565 -3.405 1.00 0.00 C ATOM 0 H VAL A 103 -10.403 -2.803 -5.233 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.406 -2.071 -3.382 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.572 -4.436 -5.297 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.031 -5.550 -3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.295 -4.106 -4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -6.898 -4.043 -2.797 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.471 -5.652 -3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.437 -4.149 -2.403 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.510 -4.282 -3.816 1.00 0.00 H new ATOM 1563 N MET A 104 -7.506 -2.198 -6.570 1.00 0.00 N ATOM 1564 CA MET A 104 -6.491 -1.761 -7.521 1.00 0.00 C ATOM 1565 C MET A 104 -6.200 -0.272 -7.360 1.00 0.00 C ATOM 1566 O MET A 104 -5.057 0.165 -7.495 1.00 0.00 O ATOM 1567 CB MET A 104 -6.944 -2.052 -8.953 1.00 0.00 C ATOM 1568 CG MET A 104 -8.164 -1.252 -9.379 1.00 0.00 C ATOM 1569 SD MET A 104 -8.559 -1.465 -11.125 1.00 0.00 S ATOM 1570 CE MET A 104 -7.361 -0.369 -11.880 1.00 0.00 C ATOM 0 H MET A 104 -8.304 -2.673 -6.993 1.00 0.00 H new ATOM 0 HA MET A 104 -5.575 -2.316 -7.317 1.00 0.00 H new ATOM 0 HB2 MET A 104 -6.122 -1.837 -9.636 1.00 0.00 H new ATOM 0 HB3 MET A 104 -7.166 -3.115 -9.046 1.00 0.00 H new ATOM 0 HG2 MET A 104 -9.021 -1.555 -8.777 1.00 0.00 H new ATOM 0 HG3 MET A 104 -7.990 -0.195 -9.176 1.00 0.00 H new ATOM 0 HE1 MET A 104 -7.774 0.043 -12.801 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.127 0.443 -11.192 1.00 0.00 H new ATOM 0 HE3 MET A 104 -6.452 -0.925 -12.107 1.00 0.00 H new ATOM 1580 N TYR A 105 -7.241 0.501 -7.072 1.00 0.00 N ATOM 1581 CA TYR A 105 -7.097 1.942 -6.896 1.00 0.00 C ATOM 1582 C TYR A 105 -6.484 2.266 -5.537 1.00 0.00 C ATOM 1583 O TYR A 105 -5.366 2.775 -5.452 1.00 0.00 O ATOM 1584 CB TYR A 105 -8.455 2.632 -7.033 1.00 0.00 C ATOM 1585 CG TYR A 105 -8.365 4.140 -7.094 1.00 0.00 C ATOM 1586 CD1 TYR A 105 -7.843 4.779 -8.212 1.00 0.00 C ATOM 1587 CD2 TYR A 105 -8.800 4.925 -6.034 1.00 0.00 C ATOM 1588 CE1 TYR A 105 -7.758 6.157 -8.272 1.00 0.00 C ATOM 1589 CE2 TYR A 105 -8.720 6.303 -6.086 1.00 0.00 C ATOM 1590 CZ TYR A 105 -8.198 6.914 -7.207 1.00 0.00 C ATOM 1591 OH TYR A 105 -8.115 8.287 -7.261 1.00 0.00 O ATOM 0 H TYR A 105 -8.193 0.155 -6.955 1.00 0.00 H new ATOM 0 HA TYR A 105 -6.429 2.312 -7.673 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -8.948 2.269 -7.935 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.084 2.348 -6.189 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -7.498 4.189 -9.048 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.208 4.450 -5.154 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.349 6.638 -9.148 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -9.064 6.899 -5.254 1.00 0.00 H new ATOM 0 HH TYR A 105 -8.468 8.669 -6.431 1.00 0.00 H new ATOM 1601 N LEU A 106 -7.225 1.967 -4.475 1.00 0.00 N ATOM 1602 CA LEU A 106 -6.757 2.225 -3.118 1.00 0.00 C ATOM 1603 C LEU A 106 -5.289 1.837 -2.965 1.00 0.00 C ATOM 1604 O LEU A 106 -4.507 2.558 -2.347 1.00 0.00 O ATOM 1605 CB LEU A 106 -7.608 1.453 -2.108 1.00 0.00 C ATOM 1606 CG LEU A 106 -9.071 1.883 -1.996 1.00 0.00 C ATOM 1607 CD1 LEU A 106 -9.869 0.857 -1.207 1.00 0.00 C ATOM 1608 CD2 LEU A 106 -9.175 3.256 -1.349 1.00 0.00 C ATOM 0 H LEU A 106 -8.152 1.546 -4.528 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.854 3.293 -2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.580 0.396 -2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.146 1.548 -1.125 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.490 1.945 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.908 1.179 -1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.822 -0.108 -1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.450 0.763 -0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.223 3.546 -1.277 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.739 3.222 -0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.637 3.985 -1.955 1.00 0.00 H new ATOM 1620 N SER A 107 -4.923 0.693 -3.536 1.00 0.00 N ATOM 1621 CA SER A 107 -3.549 0.208 -3.462 1.00 0.00 C ATOM 1622 C SER A 107 -2.559 1.344 -3.702 1.00 0.00 C ATOM 1623 O SER A 107 -1.556 1.468 -2.999 1.00 0.00 O ATOM 1624 CB SER A 107 -3.324 -0.906 -4.486 1.00 0.00 C ATOM 1625 OG SER A 107 -2.248 -1.744 -4.099 1.00 0.00 O ATOM 0 H SER A 107 -5.558 0.086 -4.054 1.00 0.00 H new ATOM 0 HA SER A 107 -3.383 -0.190 -2.461 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.233 -1.499 -4.588 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.116 -0.470 -5.463 1.00 0.00 H new ATOM 0 HG SER A 107 -2.125 -2.449 -4.769 1.00 0.00 H new ATOM 1631 N LYS A 108 -2.847 2.171 -4.701 1.00 0.00 N ATOM 1632 CA LYS A 108 -1.984 3.298 -5.035 1.00 0.00 C ATOM 1633 C LYS A 108 -1.639 4.107 -3.789 1.00 0.00 C ATOM 1634 O LYS A 108 -0.469 4.382 -3.520 1.00 0.00 O ATOM 1635 CB LYS A 108 -2.665 4.199 -6.068 1.00 0.00 C ATOM 1636 CG LYS A 108 -2.908 3.517 -7.404 1.00 0.00 C ATOM 1637 CD LYS A 108 -3.619 4.439 -8.380 1.00 0.00 C ATOM 1638 CE LYS A 108 -4.409 3.653 -9.414 1.00 0.00 C ATOM 1639 NZ LYS A 108 -3.525 3.061 -10.456 1.00 0.00 N ATOM 0 H LYS A 108 -3.672 2.082 -5.294 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.060 2.903 -5.458 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.618 4.542 -5.666 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -2.049 5.084 -6.228 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.956 3.199 -7.830 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.505 2.618 -7.251 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -4.291 5.101 -7.833 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.888 5.072 -8.883 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -4.967 2.859 -8.918 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -5.140 4.308 -9.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -4.102 2.533 -11.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -3.011 3.820 -10.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.844 2.416 -10.008 1.00 0.00 H new ATOM 1653 N PHE A 109 -2.663 4.484 -3.031 1.00 0.00 N ATOM 1654 CA PHE A 109 -2.467 5.261 -1.813 1.00 0.00 C ATOM 1655 C PHE A 109 -1.726 4.443 -0.759 1.00 0.00 C ATOM 1656 O PHE A 109 -0.750 4.907 -0.169 1.00 0.00 O ATOM 1657 CB PHE A 109 -3.814 5.729 -1.258 1.00 0.00 C ATOM 1658 CG PHE A 109 -4.552 6.656 -2.180 1.00 0.00 C ATOM 1659 CD1 PHE A 109 -4.190 7.990 -2.278 1.00 0.00 C ATOM 1660 CD2 PHE A 109 -5.609 6.195 -2.948 1.00 0.00 C ATOM 1661 CE1 PHE A 109 -4.867 8.847 -3.126 1.00 0.00 C ATOM 1662 CE2 PHE A 109 -6.289 7.047 -3.798 1.00 0.00 C ATOM 1663 CZ PHE A 109 -5.919 8.374 -3.886 1.00 0.00 C ATOM 0 H PHE A 109 -3.637 4.264 -3.239 1.00 0.00 H new ATOM 0 HA PHE A 109 -1.862 6.133 -2.062 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -4.437 4.858 -1.056 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -3.650 6.232 -0.305 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -3.369 8.365 -1.685 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -5.905 5.158 -2.882 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -4.574 9.884 -3.194 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -7.110 6.675 -4.393 1.00 0.00 H new ATOM 0 HZ PHE A 109 -6.451 9.041 -4.548 1.00 0.00 H new ATOM 1673 N TYR A 110 -2.198 3.223 -0.527 1.00 0.00 N ATOM 1674 CA TYR A 110 -1.584 2.340 0.458 1.00 0.00 C ATOM 1675 C TYR A 110 -0.076 2.251 0.243 1.00 0.00 C ATOM 1676 O TYR A 110 0.708 2.591 1.128 1.00 0.00 O ATOM 1677 CB TYR A 110 -2.206 0.945 0.380 1.00 0.00 C ATOM 1678 CG TYR A 110 -1.414 -0.112 1.116 1.00 0.00 C ATOM 1679 CD1 TYR A 110 -0.302 -0.707 0.533 1.00 0.00 C ATOM 1680 CD2 TYR A 110 -1.777 -0.516 2.395 1.00 0.00 C ATOM 1681 CE1 TYR A 110 0.424 -1.674 1.202 1.00 0.00 C ATOM 1682 CE2 TYR A 110 -1.056 -1.480 3.072 1.00 0.00 C ATOM 1683 CZ TYR A 110 0.043 -2.057 2.471 1.00 0.00 C ATOM 1684 OH TYR A 110 0.764 -3.019 3.141 1.00 0.00 O ATOM 0 H TYR A 110 -3.004 2.823 -1.008 1.00 0.00 H new ATOM 0 HA TYR A 110 -1.767 2.757 1.448 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -3.215 0.983 0.790 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -2.298 0.655 -0.667 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.000 -0.409 -0.460 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -2.638 -0.068 2.868 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.285 -2.127 0.734 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -1.351 -1.780 4.067 1.00 0.00 H new ATOM 0 HH TYR A 110 0.365 -3.172 4.023 1.00 0.00 H new ATOM 1694 N GLU A 111 0.320 1.790 -0.939 1.00 0.00 N ATOM 1695 CA GLU A 111 1.734 1.655 -1.270 1.00 0.00 C ATOM 1696 C GLU A 111 2.457 2.992 -1.125 1.00 0.00 C ATOM 1697 O GLU A 111 3.407 3.116 -0.351 1.00 0.00 O ATOM 1698 CB GLU A 111 1.898 1.126 -2.697 1.00 0.00 C ATOM 1699 CG GLU A 111 1.694 -0.375 -2.817 1.00 0.00 C ATOM 1700 CD GLU A 111 2.250 -0.937 -4.110 1.00 0.00 C ATOM 1701 OE1 GLU A 111 3.464 -1.225 -4.159 1.00 0.00 O ATOM 1702 OE2 GLU A 111 1.470 -1.090 -5.074 1.00 0.00 O ATOM 0 H GLU A 111 -0.317 1.504 -1.682 1.00 0.00 H new ATOM 0 HA GLU A 111 2.178 0.944 -0.573 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.186 1.634 -3.348 1.00 0.00 H new ATOM 0 HB3 GLU A 111 2.895 1.379 -3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 111 2.173 -0.872 -1.973 1.00 0.00 H new ATOM 0 HG3 GLU A 111 0.629 -0.599 -2.756 1.00 0.00 H new ATOM 1709 N LEU A 112 2.001 3.988 -1.876 1.00 0.00 N ATOM 1710 CA LEU A 112 2.603 5.316 -1.832 1.00 0.00 C ATOM 1711 C LEU A 112 2.867 5.747 -0.394 1.00 0.00 C ATOM 1712 O LEU A 112 4.013 5.967 -0.001 1.00 0.00 O ATOM 1713 CB LEU A 112 1.693 6.334 -2.523 1.00 0.00 C ATOM 1714 CG LEU A 112 2.076 7.804 -2.349 1.00 0.00 C ATOM 1715 CD1 LEU A 112 3.444 8.074 -2.957 1.00 0.00 C ATOM 1716 CD2 LEU A 112 1.024 8.707 -2.976 1.00 0.00 C ATOM 0 H LEU A 112 1.217 3.902 -2.522 1.00 0.00 H new ATOM 0 HA LEU A 112 3.556 5.273 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.673 6.108 -3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.678 6.197 -2.149 1.00 0.00 H new ATOM 0 HG LEU A 112 2.125 8.023 -1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.700 9.125 -2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.191 7.453 -2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 112 3.422 7.838 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.313 9.749 -2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.943 8.486 -4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.062 8.533 -2.495 1.00 0.00 H new ATOM 1728 N PHE A 113 1.800 5.865 0.389 1.00 0.00 N ATOM 1729 CA PHE A 113 1.916 6.268 1.786 1.00 0.00 C ATOM 1730 C PHE A 113 2.867 5.345 2.541 1.00 0.00 C ATOM 1731 O PHE A 113 3.774 5.804 3.236 1.00 0.00 O ATOM 1732 CB PHE A 113 0.541 6.263 2.457 1.00 0.00 C ATOM 1733 CG PHE A 113 -0.282 7.480 2.146 1.00 0.00 C ATOM 1734 CD1 PHE A 113 -0.638 7.777 0.840 1.00 0.00 C ATOM 1735 CD2 PHE A 113 -0.701 8.326 3.160 1.00 0.00 C ATOM 1736 CE1 PHE A 113 -1.396 8.896 0.551 1.00 0.00 C ATOM 1737 CE2 PHE A 113 -1.459 9.446 2.877 1.00 0.00 C ATOM 1738 CZ PHE A 113 -1.806 9.732 1.571 1.00 0.00 C ATOM 0 H PHE A 113 0.844 5.687 0.080 1.00 0.00 H new ATOM 0 HA PHE A 113 2.322 7.279 1.814 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -0.005 5.374 2.141 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.673 6.189 3.537 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -0.319 7.127 0.039 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -0.432 8.108 4.183 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.667 9.116 -0.471 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -1.780 10.097 3.676 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.397 10.608 1.348 1.00 0.00 H new ATOM 1748 N ARG A 114 2.653 4.041 2.400 1.00 0.00 N ATOM 1749 CA ARG A 114 3.489 3.052 3.070 1.00 0.00 C ATOM 1750 C ARG A 114 4.966 3.412 2.942 1.00 0.00 C ATOM 1751 O ARG A 114 5.515 3.441 1.842 1.00 0.00 O ATOM 1752 CB ARG A 114 3.240 1.661 2.484 1.00 0.00 C ATOM 1753 CG ARG A 114 3.784 0.532 3.343 1.00 0.00 C ATOM 1754 CD ARG A 114 2.970 -0.741 3.172 1.00 0.00 C ATOM 1755 NE ARG A 114 3.082 -1.623 4.331 1.00 0.00 N ATOM 1756 CZ ARG A 114 4.086 -2.472 4.515 1.00 0.00 C ATOM 1757 NH1 ARG A 114 5.062 -2.553 3.621 1.00 0.00 N ATOM 1758 NH2 ARG A 114 4.117 -3.241 5.596 1.00 0.00 N ATOM 0 H ARG A 114 1.908 3.645 1.828 1.00 0.00 H new ATOM 0 HA ARG A 114 3.224 3.046 4.127 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.168 1.519 2.349 1.00 0.00 H new ATOM 0 HB3 ARG A 114 3.695 1.606 1.495 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.823 0.339 3.077 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.774 0.833 4.390 1.00 0.00 H new ATOM 0 HD2 ARG A 114 1.923 -0.483 3.013 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.307 -1.270 2.280 1.00 0.00 H new ATOM 0 HE ARG A 114 2.348 -1.584 5.038 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.042 -1.962 2.790 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.832 -3.206 3.765 1.00 0.00 H new ATOM 0 HH21 ARG A 114 3.369 -3.180 6.287 1.00 0.00 H new ATOM 0 HH22 ARG A 114 4.889 -3.893 5.736 1.00 0.00 H new ATOM 1772 N GLY A 115 5.603 3.688 4.077 1.00 0.00 N ATOM 1773 CA GLY A 115 7.010 4.043 4.070 1.00 0.00 C ATOM 1774 C GLY A 115 7.796 3.323 5.147 1.00 0.00 C ATOM 1775 O GLY A 115 8.555 2.397 4.859 1.00 0.00 O ATOM 0 H GLY A 115 5.170 3.672 5.000 1.00 0.00 H new ATOM 0 HA2 GLY A 115 7.436 3.807 3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 115 7.110 5.119 4.210 1.00 0.00 H new ATOM 1779 N THR A 116 7.615 3.748 6.394 1.00 0.00 N ATOM 1780 CA THR A 116 8.315 3.140 7.518 1.00 0.00 C ATOM 1781 C THR A 116 7.363 2.315 8.377 1.00 0.00 C ATOM 1782 O THR A 116 6.216 2.694 8.614 1.00 0.00 O ATOM 1783 CB THR A 116 8.993 4.204 8.400 1.00 0.00 C ATOM 1784 OG1 THR A 116 9.936 3.583 9.281 1.00 0.00 O ATOM 1785 CG2 THR A 116 7.961 4.971 9.214 1.00 0.00 C ATOM 0 H THR A 116 6.989 4.511 6.650 1.00 0.00 H new ATOM 0 HA THR A 116 9.080 2.487 7.098 1.00 0.00 H new ATOM 0 HB THR A 116 9.513 4.906 7.748 1.00 0.00 H new ATOM 0 HG1 THR A 116 10.364 4.267 9.837 1.00 0.00 H new ATOM 0 HG21 THR A 116 8.464 5.717 9.829 1.00 0.00 H new ATOM 0 HG22 THR A 116 7.262 5.467 8.541 1.00 0.00 H new ATOM 0 HG23 THR A 116 7.416 4.279 9.856 1.00 0.00 H new ATOM 1793 N PRO A 117 7.847 1.159 8.855 1.00 0.00 N ATOM 1794 CA PRO A 117 7.055 0.257 9.697 1.00 0.00 C ATOM 1795 C PRO A 117 6.796 0.836 11.084 1.00 0.00 C ATOM 1796 O PRO A 117 7.296 1.910 11.423 1.00 0.00 O ATOM 1797 CB PRO A 117 7.930 -0.995 9.795 1.00 0.00 C ATOM 1798 CG PRO A 117 9.319 -0.505 9.575 1.00 0.00 C ATOM 1799 CD PRO A 117 9.205 0.644 8.612 1.00 0.00 C ATOM 0 HA PRO A 117 6.066 0.071 9.278 1.00 0.00 H new ATOM 0 HB2 PRO A 117 7.829 -1.473 10.769 1.00 0.00 H new ATOM 0 HB3 PRO A 117 7.648 -1.735 9.046 1.00 0.00 H new ATOM 0 HG2 PRO A 117 9.773 -0.185 10.513 1.00 0.00 H new ATOM 0 HG3 PRO A 117 9.951 -1.294 9.168 1.00 0.00 H new ATOM 0 HD2 PRO A 117 9.963 1.404 8.802 1.00 0.00 H new ATOM 0 HD3 PRO A 117 9.332 0.317 7.580 1.00 0.00 H new ATOM 1807 N LEU A 118 6.013 0.120 11.882 1.00 0.00 N ATOM 1808 CA LEU A 118 5.688 0.562 13.234 1.00 0.00 C ATOM 1809 C LEU A 118 6.952 0.726 14.072 1.00 0.00 C ATOM 1810 O LEU A 118 8.047 0.362 13.640 1.00 0.00 O ATOM 1811 CB LEU A 118 4.743 -0.436 13.905 1.00 0.00 C ATOM 1812 CG LEU A 118 3.445 -0.739 13.156 1.00 0.00 C ATOM 1813 CD1 LEU A 118 2.933 -2.125 13.514 1.00 0.00 C ATOM 1814 CD2 LEU A 118 2.393 0.316 13.464 1.00 0.00 C ATOM 0 H LEU A 118 5.591 -0.770 11.617 1.00 0.00 H new ATOM 0 HA LEU A 118 5.193 1.530 13.164 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.281 -1.372 14.052 1.00 0.00 H new ATOM 0 HB3 LEU A 118 4.488 -0.056 14.894 1.00 0.00 H new ATOM 0 HG LEU A 118 3.652 -0.716 12.086 1.00 0.00 H new ATOM 0 HD11 LEU A 118 2.009 -2.323 12.971 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.680 -2.870 13.242 1.00 0.00 H new ATOM 0 HD13 LEU A 118 2.743 -2.177 14.586 1.00 0.00 H new ATOM 0 HD21 LEU A 118 1.476 0.084 12.922 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.190 0.325 14.535 1.00 0.00 H new ATOM 0 HD23 LEU A 118 2.759 1.295 13.156 1.00 0.00 H new ATOM 1826 N ARG A 119 6.793 1.273 15.272 1.00 0.00 N ATOM 1827 CA ARG A 119 7.921 1.483 16.172 1.00 0.00 C ATOM 1828 C ARG A 119 8.552 0.153 16.573 1.00 0.00 C ATOM 1829 O ARG A 119 7.873 -0.780 17.002 1.00 0.00 O ATOM 1830 CB ARG A 119 7.471 2.244 17.420 1.00 0.00 C ATOM 1831 CG ARG A 119 8.569 3.083 18.052 1.00 0.00 C ATOM 1832 CD ARG A 119 8.223 3.469 19.481 1.00 0.00 C ATOM 1833 NE ARG A 119 7.370 4.654 19.537 1.00 0.00 N ATOM 1834 CZ ARG A 119 6.047 4.613 19.422 1.00 0.00 C ATOM 1835 NH1 ARG A 119 5.429 3.453 19.248 1.00 0.00 N ATOM 1836 NH2 ARG A 119 5.340 5.734 19.483 1.00 0.00 N ATOM 0 H ARG A 119 5.894 1.579 15.644 1.00 0.00 H new ATOM 0 HA ARG A 119 8.669 2.075 15.644 1.00 0.00 H new ATOM 0 HB2 ARG A 119 6.635 2.893 17.158 1.00 0.00 H new ATOM 0 HB3 ARG A 119 7.101 1.530 18.156 1.00 0.00 H new ATOM 0 HG2 ARG A 119 9.506 2.526 18.041 1.00 0.00 H new ATOM 0 HG3 ARG A 119 8.727 3.984 17.459 1.00 0.00 H new ATOM 0 HD2 ARG A 119 7.718 2.636 19.969 1.00 0.00 H new ATOM 0 HD3 ARG A 119 9.141 3.656 20.038 1.00 0.00 H new ATOM 0 HE ARG A 119 7.814 5.562 19.672 1.00 0.00 H new ATOM 0 HH11 ARG A 119 5.969 2.589 19.202 1.00 0.00 H new ATOM 0 HH12 ARG A 119 4.413 3.424 19.160 1.00 0.00 H new ATOM 0 HH21 ARG A 119 5.812 6.628 19.618 1.00 0.00 H new ATOM 0 HH22 ARG A 119 4.324 5.702 19.395 1.00 0.00 H new ATOM 1850 N PRO A 120 9.883 0.062 16.430 1.00 0.00 N ATOM 1851 CA PRO A 120 10.635 -1.149 16.772 1.00 0.00 C ATOM 1852 C PRO A 120 10.681 -1.398 18.275 1.00 0.00 C ATOM 1853 O PRO A 120 10.146 -0.615 19.061 1.00 0.00 O ATOM 1854 CB PRO A 120 12.038 -0.859 16.234 1.00 0.00 C ATOM 1855 CG PRO A 120 12.140 0.627 16.222 1.00 0.00 C ATOM 1856 CD PRO A 120 10.756 1.135 15.924 1.00 0.00 C ATOM 0 HA PRO A 120 10.179 -2.045 16.350 1.00 0.00 H new ATOM 0 HB2 PRO A 120 12.805 -1.303 16.869 1.00 0.00 H new ATOM 0 HB3 PRO A 120 12.172 -1.273 15.235 1.00 0.00 H new ATOM 0 HG2 PRO A 120 12.495 1.002 17.182 1.00 0.00 H new ATOM 0 HG3 PRO A 120 12.850 0.963 15.467 1.00 0.00 H new ATOM 0 HD2 PRO A 120 10.559 2.083 16.425 1.00 0.00 H new ATOM 0 HD3 PRO A 120 10.610 1.302 14.857 1.00 0.00 H new ATOM 1864 N VAL A 121 11.325 -2.492 18.670 1.00 0.00 N ATOM 1865 CA VAL A 121 11.442 -2.842 20.081 1.00 0.00 C ATOM 1866 C VAL A 121 12.898 -2.824 20.532 1.00 0.00 C ATOM 1867 O VAL A 121 13.805 -2.601 19.730 1.00 0.00 O ATOM 1868 CB VAL A 121 10.845 -4.234 20.365 1.00 0.00 C ATOM 1869 CG1 VAL A 121 11.029 -4.605 21.828 1.00 0.00 C ATOM 1870 CG2 VAL A 121 9.375 -4.271 19.977 1.00 0.00 C ATOM 0 H VAL A 121 11.773 -3.151 18.033 1.00 0.00 H new ATOM 0 HA VAL A 121 10.882 -2.093 20.641 1.00 0.00 H new ATOM 0 HB VAL A 121 11.375 -4.969 19.760 1.00 0.00 H new ATOM 0 HG11 VAL A 121 10.601 -5.591 22.010 1.00 0.00 H new ATOM 0 HG12 VAL A 121 12.092 -4.621 22.069 1.00 0.00 H new ATOM 0 HG13 VAL A 121 10.526 -3.870 22.456 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.969 -5.261 20.184 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.827 -3.526 20.554 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.274 -4.052 18.914 1.00 0.00 H new TER 1880 VAL A 121