USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1084 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 129 SER OG : rot -83:sc= 0.947 USER MOD Set 1.2: A 130 GLN : amide:sc= -1.02 K(o=-0.069,f=0.62) USER MOD Set 2.1: A 103 CYS SG : rot -52:sc= 1.03 USER MOD Set 2.2: A 105 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 114 SER OG : rot 177:sc= 1.28 USER MOD Set 3.1: A 29 ASN : amide:sc= -0.0886 K(o=-3.7,f=-8.3!) USER MOD Set 3.2: A 91 ASN : amide:sc= -3.66! C(o=-3.7!,f=-15!) USER MOD Set 4.1: A 44 SER OG : rot 137:sc= 0.0524 USER MOD Set 4.2: A 59 HIS : no HD1:sc= -3.69! C(o=-2.4!,f=-17!) USER MOD Set 4.3: A 67 SER OG : rot -146:sc= 0.887 USER MOD Set 4.4: A 112 TYR OH : rot 165:sc= 0.378 USER MOD Single : A 1 GLY N :NH3+ 178:sc= 0 (180deg=-0.00348) USER MOD Single : A 2 SER OG : rot 7:sc= 0.0494 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 8 MET CE :methyl -157:sc= 0 (180deg=-0.17) 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 14 GLN : amide:sc= -2.47! C(o=-2.5!,f=-2.2!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0222 USER MOD Single : A 30 LYS NZ :NH3+ -145:sc= 0.0669 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -1.25 K(o=-1.3,f=-4.1!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -130:sc= 0.631 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.775 USER MOD Single : A 56 SER OG : rot 140:sc= -0.526 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -2.82! K(o=-2.8!,f=-2.1) USER MOD Single : A 71 SER OG : rot 150:sc= 0 USER MOD Single : A 72 THR OG1 : rot -82:sc= 0.364 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0726 K(o=-0.073,f=-1.4!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.125 K(o=-0.12,f=-1.6!) USER MOD Single : A 85 CYS SG : rot 74:sc= -1.29 USER MOD Single : A 86 MET CE :methyl -168:sc= -0.797 (180deg=-1.69) USER MOD Single : A 87 GLN : amide:sc= -3.83 K(o=-3.8,f=-6.2!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -0.0234 X(o=-0.023,f=0) USER MOD Single : A 100 GLN : amide:sc= -2.44! C(o=-2.4!,f=-3.2!) USER MOD Single : A 101 HIS : no HD1:sc= -3.73! C(o=-3.7!,f=-2.4!) USER MOD Single : A 104 SER OG : rot 49:sc= 0.591 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -1.76 K(o=-1.8,f=-3.7!) USER MOD Single : A 111 LYS NZ :NH3+ 155:sc= 2.3 (180deg=0.38) USER MOD Single : A 113 ASN : amide:sc= -2.23! K(o=-2.2!,f=-1.4) USER MOD Single : A 118 GLN : amide:sc= -0.175 K(o=-0.18,f=-1.8!) USER MOD Single : A 120 TYR OH : rot 180:sc= -0.985 USER MOD Single : A 123 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.000538) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot 71:sc= 0.244 USER MOD Single : A 134 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0159) USER MOD Single : A 135 HIS : no HD1:sc= -7.7! C(o=-7.7!,f=-6.3!) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 SER OG : rot 180:sc= 0 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.798 18.844 -21.170 1.00 0.00 N ATOM 2 CA GLY A 1 -10.511 19.231 -21.715 1.00 0.00 C ATOM 3 C GLY A 1 -9.781 20.222 -20.830 1.00 0.00 C ATOM 4 O GLY A 1 -9.235 21.213 -21.314 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.272 18.192 -21.828 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.659 18.371 -20.254 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.387 19.690 -21.037 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.894 18.342 -21.846 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.655 19.668 -22.703 1.00 0.00 H new ATOM 8 N SER A 2 -9.772 19.955 -19.527 1.00 0.00 N ATOM 9 CA SER A 2 -9.109 20.834 -18.571 1.00 0.00 C ATOM 10 C SER A 2 -8.435 20.025 -17.467 1.00 0.00 C ATOM 11 O SER A 2 -8.726 18.843 -17.283 1.00 0.00 O ATOM 12 CB SER A 2 -10.115 21.811 -17.961 1.00 0.00 C ATOM 13 OG SER A 2 -10.430 22.853 -18.869 1.00 0.00 O ATOM 0 H SER A 2 -10.216 19.137 -19.110 1.00 0.00 H new ATOM 0 HA SER A 2 -8.343 21.398 -19.104 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.024 21.277 -17.686 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.705 22.235 -17.044 1.00 0.00 H new ATOM 0 HG SER A 2 -10.022 22.663 -19.740 1.00 0.00 H new ATOM 19 N SER A 3 -7.532 20.671 -16.736 1.00 0.00 N ATOM 20 CA SER A 3 -6.813 20.011 -15.653 1.00 0.00 C ATOM 21 C SER A 3 -7.304 20.506 -14.295 1.00 0.00 C ATOM 22 O SER A 3 -7.744 19.719 -13.457 1.00 0.00 O ATOM 23 CB SER A 3 -5.309 20.259 -15.785 1.00 0.00 C ATOM 24 OG SER A 3 -4.833 19.842 -17.053 1.00 0.00 O ATOM 0 H SER A 3 -7.281 21.650 -16.874 1.00 0.00 H new ATOM 0 HA SER A 3 -7.005 18.940 -15.722 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.098 21.319 -15.645 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.778 19.722 -14.999 1.00 0.00 H new ATOM 0 HG SER A 3 -3.870 20.013 -17.113 1.00 0.00 H new ATOM 30 N GLY A 4 -7.223 21.816 -14.084 1.00 0.00 N ATOM 31 CA GLY A 4 -7.661 22.394 -12.828 1.00 0.00 C ATOM 32 C GLY A 4 -6.535 23.081 -12.081 1.00 0.00 C ATOM 33 O GLY A 4 -5.632 23.649 -12.694 1.00 0.00 O ATOM 0 H GLY A 4 -6.861 22.487 -14.761 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.457 23.113 -13.021 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.085 21.611 -12.200 1.00 0.00 H new ATOM 37 N SER A 5 -6.590 23.032 -10.755 1.00 0.00 N ATOM 38 CA SER A 5 -5.569 23.659 -9.923 1.00 0.00 C ATOM 39 C SER A 5 -4.341 22.763 -9.802 1.00 0.00 C ATOM 40 O SER A 5 -3.763 22.626 -8.723 1.00 0.00 O ATOM 41 CB SER A 5 -6.131 23.965 -8.533 1.00 0.00 C ATOM 42 OG SER A 5 -6.420 22.771 -7.826 1.00 0.00 O ATOM 0 H SER A 5 -7.331 22.565 -10.233 1.00 0.00 H new ATOM 0 HA SER A 5 -5.270 24.593 -10.400 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.412 24.560 -7.970 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.037 24.564 -8.627 1.00 0.00 H new ATOM 0 HG SER A 5 -6.776 22.993 -6.940 1.00 0.00 H new ATOM 48 N SER A 6 -3.947 22.155 -10.916 1.00 0.00 N ATOM 49 CA SER A 6 -2.790 21.268 -10.935 1.00 0.00 C ATOM 50 C SER A 6 -1.622 21.883 -10.168 1.00 0.00 C ATOM 51 O SER A 6 -1.578 23.092 -9.946 1.00 0.00 O ATOM 52 CB SER A 6 -2.369 20.975 -12.377 1.00 0.00 C ATOM 53 OG SER A 6 -1.979 22.162 -13.045 1.00 0.00 O ATOM 0 H SER A 6 -4.412 22.260 -11.818 1.00 0.00 H new ATOM 0 HA SER A 6 -3.071 20.334 -10.449 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.543 20.264 -12.381 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.195 20.507 -12.913 1.00 0.00 H new ATOM 0 HG SER A 6 -1.713 21.948 -13.964 1.00 0.00 H new ATOM 59 N GLY A 7 -0.678 21.038 -9.766 1.00 0.00 N ATOM 60 CA GLY A 7 0.478 21.515 -9.027 1.00 0.00 C ATOM 61 C GLY A 7 0.379 21.221 -7.543 1.00 0.00 C ATOM 62 O GLY A 7 0.150 22.125 -6.739 1.00 0.00 O ATOM 0 H GLY A 7 -0.692 20.033 -9.938 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.379 21.049 -9.427 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.582 22.590 -9.175 1.00 0.00 H new ATOM 66 N MET A 8 0.550 19.955 -7.180 1.00 0.00 N ATOM 67 CA MET A 8 0.479 19.545 -5.782 1.00 0.00 C ATOM 68 C MET A 8 1.827 19.023 -5.298 1.00 0.00 C ATOM 69 O MET A 8 2.396 18.105 -5.888 1.00 0.00 O ATOM 70 CB MET A 8 -0.594 18.469 -5.598 1.00 0.00 C ATOM 71 CG MET A 8 -1.024 18.280 -4.152 1.00 0.00 C ATOM 72 SD MET A 8 -2.711 17.662 -4.005 1.00 0.00 S ATOM 73 CE MET A 8 -2.471 15.928 -4.383 1.00 0.00 C ATOM 0 H MET A 8 0.739 19.195 -7.834 1.00 0.00 H new ATOM 0 HA MET A 8 0.214 20.419 -5.187 1.00 0.00 H new ATOM 0 HB2 MET A 8 -1.466 18.731 -6.196 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.217 17.522 -5.983 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.342 17.585 -3.662 1.00 0.00 H new ATOM 0 HG3 MET A 8 -0.942 19.231 -3.625 1.00 0.00 H new ATOM 0 HE1 MET A 8 -3.410 15.498 -4.732 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.714 15.827 -5.161 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.143 15.402 -3.486 1.00 0.00 H new ATOM 83 N GLY A 9 2.334 19.615 -4.220 1.00 0.00 N ATOM 84 CA GLY A 9 3.613 19.196 -3.677 1.00 0.00 C ATOM 85 C GLY A 9 3.565 17.797 -3.094 1.00 0.00 C ATOM 86 O GLY A 9 3.040 17.592 -2.000 1.00 0.00 O ATOM 0 H GLY A 9 1.882 20.376 -3.714 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.368 19.233 -4.463 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.923 19.898 -2.903 1.00 0.00 H new ATOM 90 N ASP A 10 4.114 16.834 -3.826 1.00 0.00 N ATOM 91 CA ASP A 10 4.131 15.447 -3.375 1.00 0.00 C ATOM 92 C ASP A 10 4.617 15.351 -1.933 1.00 0.00 C ATOM 93 O ASP A 10 5.322 16.226 -1.429 1.00 0.00 O ATOM 94 CB ASP A 10 5.025 14.604 -4.285 1.00 0.00 C ATOM 95 CG ASP A 10 4.322 14.187 -5.562 1.00 0.00 C ATOM 96 OD1 ASP A 10 3.389 14.899 -5.986 1.00 0.00 O ATOM 97 OD2 ASP A 10 4.707 13.148 -6.137 1.00 0.00 O ATOM 0 H ASP A 10 4.553 16.988 -4.734 1.00 0.00 H new ATOM 0 HA ASP A 10 3.112 15.062 -3.422 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.921 15.171 -4.536 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.351 13.714 -3.746 1.00 0.00 H new ATOM 102 N PRO A 11 4.232 14.262 -1.249 1.00 0.00 N ATOM 103 CA PRO A 11 4.617 14.026 0.145 1.00 0.00 C ATOM 104 C PRO A 11 6.103 13.713 0.292 1.00 0.00 C ATOM 105 O PRO A 11 6.681 13.000 -0.528 1.00 0.00 O ATOM 106 CB PRO A 11 3.774 12.814 0.545 1.00 0.00 C ATOM 107 CG PRO A 11 3.494 12.107 -0.736 1.00 0.00 C ATOM 108 CD PRO A 11 3.392 13.179 -1.787 1.00 0.00 C ATOM 0 HA PRO A 11 4.449 14.904 0.768 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.311 12.171 1.243 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.851 13.119 1.038 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.290 11.401 -0.974 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.569 11.534 -0.672 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.755 12.830 -2.754 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.362 13.503 -1.932 1.00 0.00 H new ATOM 116 N SER A 12 6.716 14.252 1.342 1.00 0.00 N ATOM 117 CA SER A 12 8.135 14.032 1.593 1.00 0.00 C ATOM 118 C SER A 12 8.353 12.758 2.404 1.00 0.00 C ATOM 119 O SER A 12 7.402 12.159 2.907 1.00 0.00 O ATOM 120 CB SER A 12 8.735 15.230 2.333 1.00 0.00 C ATOM 121 OG SER A 12 8.985 16.304 1.444 1.00 0.00 O ATOM 0 H SER A 12 6.252 14.843 2.031 1.00 0.00 H new ATOM 0 HA SER A 12 8.635 13.919 0.631 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.053 15.555 3.119 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.664 14.933 2.820 1.00 0.00 H new ATOM 0 HG SER A 12 9.366 17.058 1.941 1.00 0.00 H new ATOM 127 N LYS A 13 9.611 12.350 2.526 1.00 0.00 N ATOM 128 CA LYS A 13 9.957 11.148 3.276 1.00 0.00 C ATOM 129 C LYS A 13 9.171 11.078 4.583 1.00 0.00 C ATOM 130 O LYS A 13 8.383 10.156 4.793 1.00 0.00 O ATOM 131 CB LYS A 13 11.458 11.120 3.569 1.00 0.00 C ATOM 132 CG LYS A 13 11.874 9.994 4.501 1.00 0.00 C ATOM 133 CD LYS A 13 13.335 10.117 4.906 1.00 0.00 C ATOM 134 CE LYS A 13 13.788 8.918 5.724 1.00 0.00 C ATOM 135 NZ LYS A 13 14.299 7.818 4.861 1.00 0.00 N ATOM 0 H LYS A 13 10.409 12.834 2.115 1.00 0.00 H new ATOM 0 HA LYS A 13 9.696 10.282 2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.002 11.022 2.629 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.752 12.073 4.010 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.246 10.007 5.392 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.711 9.035 4.010 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.955 10.206 4.014 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.478 11.029 5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.569 9.227 6.419 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.955 8.552 6.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.598 7.020 5.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.546 7.505 4.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.111 8.159 4.308 1.00 0.00 H new ATOM 149 N GLN A 14 9.392 12.057 5.454 1.00 0.00 N ATOM 150 CA GLN A 14 8.704 12.105 6.738 1.00 0.00 C ATOM 151 C GLN A 14 7.214 11.826 6.568 1.00 0.00 C ATOM 152 O GLN A 14 6.679 10.882 7.152 1.00 0.00 O ATOM 153 CB GLN A 14 8.907 13.469 7.399 1.00 0.00 C ATOM 154 CG GLN A 14 10.369 13.838 7.595 1.00 0.00 C ATOM 155 CD GLN A 14 10.987 14.453 6.355 1.00 0.00 C ATOM 156 OE1 GLN A 14 10.518 15.477 5.856 1.00 0.00 O ATOM 157 NE2 GLN A 14 12.045 13.830 5.849 1.00 0.00 N ATOM 0 H GLN A 14 10.042 12.827 5.294 1.00 0.00 H new ATOM 0 HA GLN A 14 9.129 11.332 7.378 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.426 14.234 6.789 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.407 13.472 8.368 1.00 0.00 H new ATOM 0 HG2 GLN A 14 10.455 14.539 8.425 1.00 0.00 H new ATOM 0 HG3 GLN A 14 10.931 12.946 7.872 1.00 0.00 H new ATOM 0 HE21 GLN A 14 12.400 12.984 6.295 1.00 0.00 H new ATOM 0 HE22 GLN A 14 12.502 14.197 5.015 1.00 0.00 H new ATOM 166 N ASP A 15 6.550 12.652 5.767 1.00 0.00 N ATOM 167 CA ASP A 15 5.122 12.494 5.520 1.00 0.00 C ATOM 168 C ASP A 15 4.782 11.041 5.206 1.00 0.00 C ATOM 169 O ASP A 15 3.909 10.447 5.837 1.00 0.00 O ATOM 170 CB ASP A 15 4.679 13.396 4.367 1.00 0.00 C ATOM 171 CG ASP A 15 4.923 14.864 4.654 1.00 0.00 C ATOM 172 OD1 ASP A 15 4.619 15.307 5.781 1.00 0.00 O ATOM 173 OD2 ASP A 15 5.419 15.572 3.751 1.00 0.00 O ATOM 0 H ASP A 15 6.978 13.438 5.278 1.00 0.00 H new ATOM 0 HA ASP A 15 4.588 12.785 6.424 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.214 13.112 3.461 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.618 13.238 4.173 1.00 0.00 H new ATOM 178 N ILE A 16 5.478 10.475 4.225 1.00 0.00 N ATOM 179 CA ILE A 16 5.250 9.092 3.826 1.00 0.00 C ATOM 180 C ILE A 16 5.397 8.146 5.012 1.00 0.00 C ATOM 181 O ILE A 16 4.537 7.299 5.256 1.00 0.00 O ATOM 182 CB ILE A 16 6.224 8.658 2.715 1.00 0.00 C ATOM 183 CG1 ILE A 16 6.137 9.620 1.527 1.00 0.00 C ATOM 184 CG2 ILE A 16 5.924 7.234 2.273 1.00 0.00 C ATOM 185 CD1 ILE A 16 7.313 9.516 0.579 1.00 0.00 C ATOM 0 H ILE A 16 6.204 10.953 3.692 1.00 0.00 H new ATOM 0 HA ILE A 16 4.230 9.038 3.445 1.00 0.00 H new ATOM 0 HB ILE A 16 7.239 8.688 3.110 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.218 9.422 0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.071 10.642 1.901 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.621 6.942 1.487 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.031 6.559 3.122 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.904 7.178 1.892 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.185 10.226 -0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.234 9.743 1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.367 8.505 0.176 1.00 0.00 H new ATOM 197 N LEU A 17 6.492 8.298 5.750 1.00 0.00 N ATOM 198 CA LEU A 17 6.752 7.458 6.915 1.00 0.00 C ATOM 199 C LEU A 17 5.499 7.314 7.773 1.00 0.00 C ATOM 200 O LEU A 17 5.225 6.243 8.316 1.00 0.00 O ATOM 201 CB LEU A 17 7.890 8.048 7.749 1.00 0.00 C ATOM 202 CG LEU A 17 9.286 7.969 7.130 1.00 0.00 C ATOM 203 CD1 LEU A 17 10.313 8.620 8.044 1.00 0.00 C ATOM 204 CD2 LEU A 17 9.664 6.523 6.846 1.00 0.00 C ATOM 0 H LEU A 17 7.213 8.994 5.563 1.00 0.00 H new ATOM 0 HA LEU A 17 7.043 6.469 6.562 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.662 9.095 7.949 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.912 7.537 8.711 1.00 0.00 H new ATOM 0 HG LEU A 17 9.274 8.512 6.185 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.300 8.554 7.587 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.053 9.667 8.196 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.323 8.105 9.005 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.661 6.487 6.406 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.658 5.956 7.777 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.945 6.089 6.152 1.00 0.00 H new ATOM 216 N THR A 18 4.739 8.398 7.889 1.00 0.00 N ATOM 217 CA THR A 18 3.515 8.393 8.679 1.00 0.00 C ATOM 218 C THR A 18 2.517 7.375 8.140 1.00 0.00 C ATOM 219 O THR A 18 2.271 6.342 8.764 1.00 0.00 O ATOM 220 CB THR A 18 2.853 9.783 8.699 1.00 0.00 C ATOM 221 OG1 THR A 18 3.650 10.696 9.463 1.00 0.00 O ATOM 222 CG2 THR A 18 1.453 9.708 9.289 1.00 0.00 C ATOM 0 H THR A 18 4.950 9.292 7.445 1.00 0.00 H new ATOM 0 HA THR A 18 3.797 8.119 9.696 1.00 0.00 H new ATOM 0 HB THR A 18 2.778 10.139 7.672 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.222 11.578 9.469 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.006 10.702 9.292 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.840 9.037 8.688 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.508 9.331 10.310 1.00 0.00 H new ATOM 230 N ILE A 19 1.945 7.671 6.977 1.00 0.00 N ATOM 231 CA ILE A 19 0.975 6.780 6.354 1.00 0.00 C ATOM 232 C ILE A 19 1.289 5.321 6.668 1.00 0.00 C ATOM 233 O ILE A 19 0.384 4.506 6.847 1.00 0.00 O ATOM 234 CB ILE A 19 0.939 6.968 4.826 1.00 0.00 C ATOM 235 CG1 ILE A 19 0.159 8.234 4.465 1.00 0.00 C ATOM 236 CG2 ILE A 19 0.321 5.750 4.157 1.00 0.00 C ATOM 237 CD1 ILE A 19 1.036 9.451 4.276 1.00 0.00 C ATOM 0 H ILE A 19 2.137 8.521 6.448 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.001 7.037 6.767 1.00 0.00 H new ATOM 0 HB ILE A 19 1.961 7.077 4.464 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.403 8.056 3.548 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.569 8.439 5.250 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.303 5.898 3.077 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.914 4.866 4.392 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.697 5.612 4.522 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.416 10.311 4.022 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.579 9.655 5.199 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.747 9.266 3.471 1.00 0.00 H new ATOM 249 N PHE A 20 2.576 4.999 6.735 1.00 0.00 N ATOM 250 CA PHE A 20 3.009 3.638 7.028 1.00 0.00 C ATOM 251 C PHE A 20 2.959 3.363 8.528 1.00 0.00 C ATOM 252 O PHE A 20 2.290 2.432 8.978 1.00 0.00 O ATOM 253 CB PHE A 20 4.428 3.408 6.503 1.00 0.00 C ATOM 254 CG PHE A 20 4.481 3.097 5.035 1.00 0.00 C ATOM 255 CD1 PHE A 20 3.821 1.991 4.523 1.00 0.00 C ATOM 256 CD2 PHE A 20 5.190 3.910 4.165 1.00 0.00 C ATOM 257 CE1 PHE A 20 3.868 1.702 3.172 1.00 0.00 C ATOM 258 CE2 PHE A 20 5.241 3.626 2.814 1.00 0.00 C ATOM 259 CZ PHE A 20 4.578 2.521 2.316 1.00 0.00 C ATOM 0 H PHE A 20 3.338 5.662 6.590 1.00 0.00 H new ATOM 0 HA PHE A 20 2.328 2.950 6.527 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.028 4.296 6.700 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.883 2.587 7.057 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.263 1.347 5.187 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.709 4.776 4.548 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.350 0.836 2.786 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.799 4.267 2.148 1.00 0.00 H new ATOM 0 HZ PHE A 20 4.615 2.298 1.260 1.00 0.00 H new ATOM 269 N LYS A 21 3.672 4.178 9.297 1.00 0.00 N ATOM 270 CA LYS A 21 3.709 4.025 10.747 1.00 0.00 C ATOM 271 C LYS A 21 2.350 3.590 11.284 1.00 0.00 C ATOM 272 O LYS A 21 2.267 2.814 12.236 1.00 0.00 O ATOM 273 CB LYS A 21 4.134 5.338 11.408 1.00 0.00 C ATOM 274 CG LYS A 21 2.966 6.221 11.812 1.00 0.00 C ATOM 275 CD LYS A 21 3.420 7.387 12.675 1.00 0.00 C ATOM 276 CE LYS A 21 2.238 8.191 13.192 1.00 0.00 C ATOM 277 NZ LYS A 21 1.683 7.615 14.449 1.00 0.00 N ATOM 0 H LYS A 21 4.233 4.952 8.940 1.00 0.00 H new ATOM 0 HA LYS A 21 4.438 3.251 10.987 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.732 5.114 12.291 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.775 5.890 10.721 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.469 6.600 10.919 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.232 5.628 12.357 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.003 7.013 13.517 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.077 8.036 12.096 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.549 9.220 13.370 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.458 8.221 12.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.879 8.191 14.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.363 6.641 14.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.420 7.610 15.183 1.00 0.00 H new ATOM 291 N ARG A 22 1.286 4.093 10.665 1.00 0.00 N ATOM 292 CA ARG A 22 -0.070 3.755 11.080 1.00 0.00 C ATOM 293 C ARG A 22 -0.370 2.283 10.815 1.00 0.00 C ATOM 294 O ARG A 22 -0.948 1.594 11.656 1.00 0.00 O ATOM 295 CB ARG A 22 -1.084 4.634 10.348 1.00 0.00 C ATOM 296 CG ARG A 22 -2.529 4.226 10.586 1.00 0.00 C ATOM 297 CD ARG A 22 -2.950 4.482 12.025 1.00 0.00 C ATOM 298 NE ARG A 22 -4.396 4.640 12.152 1.00 0.00 N ATOM 299 CZ ARG A 22 -5.062 4.433 13.282 1.00 0.00 C ATOM 300 NH1 ARG A 22 -4.415 4.060 14.378 1.00 0.00 N ATOM 301 NH2 ARG A 22 -6.378 4.597 13.319 1.00 0.00 N ATOM 0 H ARG A 22 1.337 4.736 9.875 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.150 3.936 12.152 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.951 5.668 10.665 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.877 4.599 9.278 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.181 4.781 9.911 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.653 3.169 10.352 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.619 3.654 12.652 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.453 5.379 12.394 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.924 4.925 11.327 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.403 3.931 14.354 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.929 3.902 15.245 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.880 4.883 12.478 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.888 4.437 14.188 1.00 0.00 H new ATOM 315 N LEU A 23 0.027 1.807 9.640 1.00 0.00 N ATOM 316 CA LEU A 23 -0.199 0.416 9.262 1.00 0.00 C ATOM 317 C LEU A 23 0.878 -0.490 9.850 1.00 0.00 C ATOM 318 O LEU A 23 0.575 -1.470 10.530 1.00 0.00 O ATOM 319 CB LEU A 23 -0.221 0.279 7.739 1.00 0.00 C ATOM 320 CG LEU A 23 -1.190 1.201 6.995 1.00 0.00 C ATOM 321 CD1 LEU A 23 -0.862 1.232 5.511 1.00 0.00 C ATOM 322 CD2 LEU A 23 -2.628 0.755 7.218 1.00 0.00 C ATOM 0 H LEU A 23 0.507 2.363 8.933 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.165 0.108 9.663 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.785 0.464 7.363 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.470 -0.753 7.491 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.079 2.210 7.391 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.561 1.892 4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.154 1.600 5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.944 0.226 5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.303 1.422 6.682 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.755 -0.263 6.849 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.858 0.786 8.283 1.00 0.00 H new ATOM 334 N ARG A 24 2.136 -0.155 9.583 1.00 0.00 N ATOM 335 CA ARG A 24 3.258 -0.938 10.087 1.00 0.00 C ATOM 336 C ARG A 24 2.990 -1.420 11.510 1.00 0.00 C ATOM 337 O ARG A 24 3.142 -2.602 11.814 1.00 0.00 O ATOM 338 CB ARG A 24 4.543 -0.108 10.052 1.00 0.00 C ATOM 339 CG ARG A 24 4.826 0.519 8.696 1.00 0.00 C ATOM 340 CD ARG A 24 6.304 0.834 8.526 1.00 0.00 C ATOM 341 NE ARG A 24 6.858 1.507 9.697 1.00 0.00 N ATOM 342 CZ ARG A 24 7.904 2.326 9.647 1.00 0.00 C ATOM 343 NH1 ARG A 24 8.505 2.571 8.491 1.00 0.00 N ATOM 344 NH2 ARG A 24 8.350 2.902 10.756 1.00 0.00 N ATOM 0 H ARG A 24 2.404 0.653 9.021 1.00 0.00 H new ATOM 0 HA ARG A 24 3.378 -1.809 9.443 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.476 0.681 10.801 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.384 -0.743 10.332 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.504 -0.159 7.906 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.243 1.434 8.588 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.853 -0.090 8.345 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.442 1.464 7.647 1.00 0.00 H new ATOM 0 HE ARG A 24 6.419 1.340 10.602 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.165 2.131 7.636 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.307 3.200 8.457 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.890 2.716 11.647 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.153 3.530 10.717 1.00 0.00 H new ATOM 358 N SER A 25 2.592 -0.494 12.377 1.00 0.00 N ATOM 359 CA SER A 25 2.307 -0.824 13.769 1.00 0.00 C ATOM 360 C SER A 25 1.437 -2.073 13.864 1.00 0.00 C ATOM 361 O SER A 25 1.698 -2.965 14.670 1.00 0.00 O ATOM 362 CB SER A 25 1.611 0.350 14.460 1.00 0.00 C ATOM 363 OG SER A 25 1.289 0.034 15.803 1.00 0.00 O ATOM 0 H SER A 25 2.460 0.489 12.141 1.00 0.00 H new ATOM 0 HA SER A 25 3.254 -1.023 14.271 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.259 1.226 14.435 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.702 0.609 13.916 1.00 0.00 H new ATOM 0 HG SER A 25 0.847 0.801 16.223 1.00 0.00 H new ATOM 369 N VAL A 26 0.399 -2.129 13.035 1.00 0.00 N ATOM 370 CA VAL A 26 -0.511 -3.268 13.024 1.00 0.00 C ATOM 371 C VAL A 26 0.256 -4.583 12.928 1.00 0.00 C ATOM 372 O VAL A 26 1.099 -4.776 12.051 1.00 0.00 O ATOM 373 CB VAL A 26 -1.505 -3.181 11.851 1.00 0.00 C ATOM 374 CG1 VAL A 26 -2.588 -4.241 11.990 1.00 0.00 C ATOM 375 CG2 VAL A 26 -2.116 -1.790 11.774 1.00 0.00 C ATOM 0 H VAL A 26 0.168 -1.398 12.362 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.064 -3.240 13.963 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.964 -3.368 10.923 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.281 -4.165 11.153 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.131 -5.230 11.993 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.129 -4.088 12.924 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.816 -1.746 10.940 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.644 -1.573 12.703 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.326 -1.054 11.625 1.00 0.00 H new ATOM 385 N PRO A 27 -0.041 -5.509 13.851 1.00 0.00 N ATOM 386 CA PRO A 27 0.609 -6.823 13.892 1.00 0.00 C ATOM 387 C PRO A 27 0.194 -7.712 12.724 1.00 0.00 C ATOM 388 O PRO A 27 0.625 -8.860 12.621 1.00 0.00 O ATOM 389 CB PRO A 27 0.123 -7.418 15.216 1.00 0.00 C ATOM 390 CG PRO A 27 -1.173 -6.736 15.485 1.00 0.00 C ATOM 391 CD PRO A 27 -1.034 -5.346 14.926 1.00 0.00 C ATOM 0 HA PRO A 27 1.694 -6.744 13.817 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.006 -8.498 15.141 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.839 -7.237 16.018 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.999 -7.266 15.011 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.384 -6.707 16.554 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.983 -4.970 14.543 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.694 -4.640 15.684 1.00 0.00 H new ATOM 399 N THR A 28 -0.646 -7.172 11.846 1.00 0.00 N ATOM 400 CA THR A 28 -1.120 -7.916 10.686 1.00 0.00 C ATOM 401 C THR A 28 -0.569 -7.327 9.393 1.00 0.00 C ATOM 402 O THR A 28 -0.716 -7.912 8.320 1.00 0.00 O ATOM 403 CB THR A 28 -2.658 -7.929 10.617 1.00 0.00 C ATOM 404 OG1 THR A 28 -3.140 -6.659 10.166 1.00 0.00 O ATOM 405 CG2 THR A 28 -3.258 -8.251 11.977 1.00 0.00 C ATOM 0 H THR A 28 -1.012 -6.222 11.917 1.00 0.00 H new ATOM 0 HA THR A 28 -0.761 -8.939 10.798 1.00 0.00 H new ATOM 0 HB THR A 28 -2.961 -8.703 9.911 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.119 -6.677 10.123 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.346 -8.254 11.903 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.913 -9.232 12.304 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.946 -7.497 12.700 1.00 0.00 H new ATOM 413 N ASN A 29 0.065 -6.164 9.500 1.00 0.00 N ATOM 414 CA ASN A 29 0.638 -5.496 8.337 1.00 0.00 C ATOM 415 C ASN A 29 2.163 -5.550 8.376 1.00 0.00 C ATOM 416 O ASN A 29 2.825 -5.433 7.344 1.00 0.00 O ATOM 417 CB ASN A 29 0.169 -4.040 8.278 1.00 0.00 C ATOM 418 CG ASN A 29 -1.292 -3.920 7.892 1.00 0.00 C ATOM 419 OD1 ASN A 29 -1.849 -4.802 7.240 1.00 0.00 O ATOM 420 ND2 ASN A 29 -1.921 -2.821 8.294 1.00 0.00 N ATOM 0 H ASN A 29 0.195 -5.665 10.380 1.00 0.00 H new ATOM 0 HA ASN A 29 0.296 -6.018 7.443 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.325 -3.571 9.249 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.778 -3.493 7.558 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.905 -2.683 8.064 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.420 -2.115 8.833 1.00 0.00 H new ATOM 427 N LYS A 30 2.714 -5.726 9.571 1.00 0.00 N ATOM 428 CA LYS A 30 4.159 -5.797 9.745 1.00 0.00 C ATOM 429 C LYS A 30 4.686 -7.176 9.361 1.00 0.00 C ATOM 430 O LYS A 30 5.835 -7.515 9.648 1.00 0.00 O ATOM 431 CB LYS A 30 4.536 -5.482 11.195 1.00 0.00 C ATOM 432 CG LYS A 30 3.926 -6.439 12.204 1.00 0.00 C ATOM 433 CD LYS A 30 4.416 -6.153 13.613 1.00 0.00 C ATOM 434 CE LYS A 30 3.987 -4.771 14.082 1.00 0.00 C ATOM 435 NZ LYS A 30 4.041 -4.648 15.566 1.00 0.00 N ATOM 0 H LYS A 30 2.181 -5.822 10.435 1.00 0.00 H new ATOM 0 HA LYS A 30 4.615 -5.056 9.088 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.621 -5.507 11.293 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.218 -4.467 11.432 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.839 -6.358 12.173 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.177 -7.464 11.932 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.025 -6.908 14.296 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.503 -6.228 13.644 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.633 -4.018 13.631 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.973 -4.569 13.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.265 -4.037 15.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.944 -5.590 15.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.951 -4.231 15.847 1.00 0.00 H new ATOM 449 N VAL A 31 3.840 -7.968 8.710 1.00 0.00 N ATOM 450 CA VAL A 31 4.222 -9.309 8.284 1.00 0.00 C ATOM 451 C VAL A 31 3.834 -9.555 6.831 1.00 0.00 C ATOM 452 O VAL A 31 2.659 -9.472 6.466 1.00 0.00 O ATOM 453 CB VAL A 31 3.566 -10.386 9.169 1.00 0.00 C ATOM 454 CG1 VAL A 31 4.102 -10.310 10.590 1.00 0.00 C ATOM 455 CG2 VAL A 31 2.052 -10.240 9.151 1.00 0.00 C ATOM 0 H VAL A 31 2.885 -7.704 8.466 1.00 0.00 H new ATOM 0 HA VAL A 31 5.305 -9.377 8.384 1.00 0.00 H new ATOM 0 HB VAL A 31 3.818 -11.367 8.765 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.627 -11.078 11.200 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.180 -10.469 10.581 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.884 -9.328 11.009 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.605 -11.009 9.781 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.777 -9.255 9.529 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.688 -10.351 8.130 1.00 0.00 H new ATOM 465 N CYS A 32 4.827 -9.860 6.002 1.00 0.00 N ATOM 466 CA CYS A 32 4.591 -10.118 4.587 1.00 0.00 C ATOM 467 C CYS A 32 3.310 -10.922 4.387 1.00 0.00 C ATOM 468 O CYS A 32 3.280 -12.131 4.618 1.00 0.00 O ATOM 469 CB CYS A 32 5.777 -10.870 3.980 1.00 0.00 C ATOM 470 SG CYS A 32 5.452 -11.560 2.325 1.00 0.00 S ATOM 0 H CYS A 32 5.804 -9.934 6.287 1.00 0.00 H new ATOM 0 HA CYS A 32 4.480 -9.158 4.082 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.630 -10.194 3.919 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.061 -11.681 4.651 1.00 0.00 H new ATOM 475 N PHE A 33 2.253 -10.242 3.955 1.00 0.00 N ATOM 476 CA PHE A 33 0.968 -10.893 3.725 1.00 0.00 C ATOM 477 C PHE A 33 1.156 -12.244 3.040 1.00 0.00 C ATOM 478 O PHE A 33 0.342 -13.153 3.202 1.00 0.00 O ATOM 479 CB PHE A 33 0.066 -9.999 2.872 1.00 0.00 C ATOM 480 CG PHE A 33 -0.884 -10.765 1.997 1.00 0.00 C ATOM 481 CD1 PHE A 33 -0.414 -11.521 0.936 1.00 0.00 C ATOM 482 CD2 PHE A 33 -2.249 -10.729 2.236 1.00 0.00 C ATOM 483 CE1 PHE A 33 -1.285 -12.229 0.130 1.00 0.00 C ATOM 484 CE2 PHE A 33 -3.126 -11.435 1.433 1.00 0.00 C ATOM 485 CZ PHE A 33 -2.643 -12.185 0.378 1.00 0.00 C ATOM 0 H PHE A 33 2.261 -9.241 3.757 1.00 0.00 H new ATOM 0 HA PHE A 33 0.495 -11.059 4.693 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.506 -9.343 3.528 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.689 -9.360 2.246 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.647 -11.558 0.736 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.632 -10.143 3.059 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.904 -12.816 -0.693 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.187 -11.400 1.630 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.326 -12.736 -0.252 1.00 0.00 H new ATOM 495 N ASP A 34 2.236 -12.367 2.276 1.00 0.00 N ATOM 496 CA ASP A 34 2.534 -13.606 1.566 1.00 0.00 C ATOM 497 C ASP A 34 2.912 -14.714 2.545 1.00 0.00 C ATOM 498 O ASP A 34 2.141 -15.647 2.771 1.00 0.00 O ATOM 499 CB ASP A 34 3.666 -13.385 0.564 1.00 0.00 C ATOM 500 CG ASP A 34 3.510 -14.235 -0.682 1.00 0.00 C ATOM 501 OD1 ASP A 34 3.546 -15.477 -0.561 1.00 0.00 O ATOM 502 OD2 ASP A 34 3.353 -13.658 -1.778 1.00 0.00 O ATOM 0 H ASP A 34 2.920 -11.624 2.132 1.00 0.00 H new ATOM 0 HA ASP A 34 1.638 -13.912 1.026 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.697 -12.333 0.281 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.619 -13.615 1.040 1.00 0.00 H new ATOM 507 N CYS A 35 4.105 -14.605 3.122 1.00 0.00 N ATOM 508 CA CYS A 35 4.587 -15.598 4.074 1.00 0.00 C ATOM 509 C CYS A 35 4.353 -15.134 5.508 1.00 0.00 C ATOM 510 O CYS A 35 3.847 -15.885 6.340 1.00 0.00 O ATOM 511 CB CYS A 35 6.076 -15.868 3.849 1.00 0.00 C ATOM 512 SG CYS A 35 7.126 -14.385 3.962 1.00 0.00 S ATOM 0 H CYS A 35 4.755 -13.839 2.946 1.00 0.00 H new ATOM 0 HA CYS A 35 4.029 -16.521 3.914 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.417 -16.598 4.583 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.208 -16.319 2.866 1.00 0.00 H new ATOM 517 N GLY A 36 4.728 -13.889 5.790 1.00 0.00 N ATOM 518 CA GLY A 36 4.550 -13.345 7.125 1.00 0.00 C ATOM 519 C GLY A 36 5.837 -12.781 7.695 1.00 0.00 C ATOM 520 O GLY A 36 5.916 -12.483 8.887 1.00 0.00 O ATOM 0 H GLY A 36 5.151 -13.248 5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.794 -12.561 7.097 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.175 -14.126 7.786 1.00 0.00 H new ATOM 524 N ALA A 37 6.846 -12.635 6.844 1.00 0.00 N ATOM 525 CA ALA A 37 8.134 -12.102 7.270 1.00 0.00 C ATOM 526 C ALA A 37 7.962 -10.789 8.027 1.00 0.00 C ATOM 527 O ALA A 37 7.378 -9.836 7.512 1.00 0.00 O ATOM 528 CB ALA A 37 9.048 -11.905 6.070 1.00 0.00 C ATOM 0 H ALA A 37 6.797 -12.878 5.855 1.00 0.00 H new ATOM 0 HA ALA A 37 8.591 -12.824 7.946 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.006 -11.506 6.404 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.207 -12.862 5.572 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.587 -11.205 5.373 1.00 0.00 H new ATOM 534 N LYS A 38 8.473 -10.747 9.252 1.00 0.00 N ATOM 535 CA LYS A 38 8.377 -9.552 10.082 1.00 0.00 C ATOM 536 C LYS A 38 9.244 -8.430 9.521 1.00 0.00 C ATOM 537 O LYS A 38 10.391 -8.653 9.134 1.00 0.00 O ATOM 538 CB LYS A 38 8.799 -9.867 11.518 1.00 0.00 C ATOM 539 CG LYS A 38 7.713 -10.545 12.336 1.00 0.00 C ATOM 540 CD LYS A 38 8.290 -11.249 13.553 1.00 0.00 C ATOM 541 CE LYS A 38 8.866 -12.609 13.191 1.00 0.00 C ATOM 542 NZ LYS A 38 8.956 -13.507 14.375 1.00 0.00 N ATOM 0 H LYS A 38 8.959 -11.528 9.693 1.00 0.00 H new ATOM 0 HA LYS A 38 7.338 -9.221 10.080 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.680 -10.508 11.497 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.091 -8.941 12.014 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.981 -9.804 12.656 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.184 -11.267 11.713 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.069 -10.630 13.997 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.512 -11.371 14.306 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.243 -13.076 12.428 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.858 -12.479 12.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.353 -14.424 14.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.571 -13.074 15.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.007 -13.652 14.774 1.00 0.00 H new ATOM 556 N ASN A 39 8.690 -7.222 9.481 1.00 0.00 N ATOM 557 CA ASN A 39 9.414 -6.065 8.968 1.00 0.00 C ATOM 558 C ASN A 39 9.584 -6.157 7.455 1.00 0.00 C ATOM 559 O ASN A 39 10.682 -6.011 6.919 1.00 0.00 O ATOM 560 CB ASN A 39 10.784 -5.956 9.640 1.00 0.00 C ATOM 561 CG ASN A 39 10.704 -6.114 11.147 1.00 0.00 C ATOM 562 OD1 ASN A 39 10.662 -7.231 11.663 1.00 0.00 O ATOM 563 ND2 ASN A 39 10.679 -4.994 11.859 1.00 0.00 N ATOM 0 H ASN A 39 7.742 -7.019 9.798 1.00 0.00 H new ATOM 0 HA ASN A 39 8.832 -5.172 9.197 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.447 -6.719 9.232 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.226 -4.989 9.402 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.623 -5.038 12.877 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.716 -4.090 11.389 1.00 0.00 H new ATOM 570 N PRO A 40 8.471 -6.403 6.748 1.00 0.00 N ATOM 571 CA PRO A 40 8.470 -6.518 5.287 1.00 0.00 C ATOM 572 C PRO A 40 8.727 -5.182 4.600 1.00 0.00 C ATOM 573 O PRO A 40 7.797 -4.521 4.139 1.00 0.00 O ATOM 574 CB PRO A 40 7.059 -7.019 4.971 1.00 0.00 C ATOM 575 CG PRO A 40 6.227 -6.556 6.117 1.00 0.00 C ATOM 576 CD PRO A 40 7.128 -6.589 7.322 1.00 0.00 C ATOM 0 HA PRO A 40 9.261 -7.178 4.930 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.696 -6.611 4.028 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.036 -8.105 4.878 1.00 0.00 H new ATOM 0 HG2 PRO A 40 5.846 -5.550 5.942 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.362 -7.204 6.258 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.881 -5.799 8.031 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.047 -7.534 7.858 1.00 0.00 H new ATOM 584 N SER A 41 9.995 -4.790 4.534 1.00 0.00 N ATOM 585 CA SER A 41 10.374 -3.529 3.906 1.00 0.00 C ATOM 586 C SER A 41 9.587 -3.307 2.619 1.00 0.00 C ATOM 587 O SER A 41 8.984 -2.251 2.422 1.00 0.00 O ATOM 588 CB SER A 41 11.875 -3.513 3.610 1.00 0.00 C ATOM 589 OG SER A 41 12.604 -2.970 4.696 1.00 0.00 O ATOM 0 H SER A 41 10.778 -5.327 4.908 1.00 0.00 H new ATOM 0 HA SER A 41 10.140 -2.721 4.599 1.00 0.00 H new ATOM 0 HB2 SER A 41 12.220 -4.527 3.408 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.065 -2.927 2.711 1.00 0.00 H new ATOM 0 HG SER A 41 13.560 -2.973 4.482 1.00 0.00 H new ATOM 595 N TRP A 42 9.598 -4.307 1.746 1.00 0.00 N ATOM 596 CA TRP A 42 8.886 -4.221 0.476 1.00 0.00 C ATOM 597 C TRP A 42 7.383 -4.093 0.702 1.00 0.00 C ATOM 598 O TRP A 42 6.841 -4.649 1.656 1.00 0.00 O ATOM 599 CB TRP A 42 9.182 -5.450 -0.383 1.00 0.00 C ATOM 600 CG TRP A 42 10.621 -5.560 -0.787 1.00 0.00 C ATOM 601 CD1 TRP A 42 11.635 -6.120 -0.063 1.00 0.00 C ATOM 602 CD2 TRP A 42 11.207 -5.097 -2.009 1.00 0.00 C ATOM 603 NE1 TRP A 42 12.816 -6.033 -0.761 1.00 0.00 N ATOM 604 CE2 TRP A 42 12.580 -5.410 -1.958 1.00 0.00 C ATOM 605 CE3 TRP A 42 10.705 -4.450 -3.142 1.00 0.00 C ATOM 606 CZ2 TRP A 42 13.453 -5.096 -2.996 1.00 0.00 C ATOM 607 CZ3 TRP A 42 11.573 -4.139 -4.170 1.00 0.00 C ATOM 608 CH2 TRP A 42 12.935 -4.463 -4.093 1.00 0.00 C ATOM 0 H TRP A 42 10.092 -5.187 1.894 1.00 0.00 H new ATOM 0 HA TRP A 42 9.233 -3.330 -0.047 1.00 0.00 H new ATOM 0 HB2 TRP A 42 8.897 -6.346 0.168 1.00 0.00 H new ATOM 0 HB3 TRP A 42 8.562 -5.416 -1.279 1.00 0.00 H new ATOM 0 HD1 TRP A 42 11.525 -6.566 0.915 1.00 0.00 H new ATOM 0 HE1 TRP A 42 13.721 -6.377 -0.440 1.00 0.00 H new ATOM 0 HE3 TRP A 42 9.657 -4.198 -3.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 14.503 -5.343 -2.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 11.196 -3.637 -5.049 1.00 0.00 H new ATOM 0 HH2 TRP A 42 13.588 -4.208 -4.915 1.00 0.00 H new ATOM 619 N ALA A 43 6.716 -3.359 -0.182 1.00 0.00 N ATOM 620 CA ALA A 43 5.275 -3.161 -0.078 1.00 0.00 C ATOM 621 C ALA A 43 4.646 -2.976 -1.456 1.00 0.00 C ATOM 622 O ALA A 43 5.123 -2.180 -2.264 1.00 0.00 O ATOM 623 CB ALA A 43 4.969 -1.963 0.808 1.00 0.00 C ATOM 0 H ALA A 43 7.150 -2.892 -0.978 1.00 0.00 H new ATOM 0 HA ALA A 43 4.842 -4.053 0.374 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.890 -1.827 0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.377 -2.134 1.804 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.421 -1.068 0.379 1.00 0.00 H new ATOM 629 N SER A 44 3.575 -3.718 -1.715 1.00 0.00 N ATOM 630 CA SER A 44 2.884 -3.640 -2.998 1.00 0.00 C ATOM 631 C SER A 44 1.700 -2.681 -2.918 1.00 0.00 C ATOM 632 O SER A 44 0.752 -2.909 -2.167 1.00 0.00 O ATOM 633 CB SER A 44 2.402 -5.027 -3.427 1.00 0.00 C ATOM 634 OG SER A 44 1.399 -4.933 -4.423 1.00 0.00 O ATOM 0 H SER A 44 3.166 -4.380 -1.055 1.00 0.00 H new ATOM 0 HA SER A 44 3.588 -3.262 -3.740 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.243 -5.606 -3.807 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.011 -5.563 -2.562 1.00 0.00 H new ATOM 0 HG SER A 44 1.563 -5.605 -5.117 1.00 0.00 H new ATOM 640 N ILE A 45 1.764 -1.607 -3.698 1.00 0.00 N ATOM 641 CA ILE A 45 0.698 -0.613 -3.718 1.00 0.00 C ATOM 642 C ILE A 45 -0.550 -1.159 -4.403 1.00 0.00 C ATOM 643 O ILE A 45 -1.671 -0.942 -3.942 1.00 0.00 O ATOM 644 CB ILE A 45 1.142 0.675 -4.436 1.00 0.00 C ATOM 645 CG1 ILE A 45 2.429 1.216 -3.810 1.00 0.00 C ATOM 646 CG2 ILE A 45 0.038 1.721 -4.377 1.00 0.00 C ATOM 647 CD1 ILE A 45 3.342 1.902 -4.801 1.00 0.00 C ATOM 0 H ILE A 45 2.543 -1.403 -4.324 1.00 0.00 H new ATOM 0 HA ILE A 45 0.466 -0.378 -2.679 1.00 0.00 H new ATOM 0 HB ILE A 45 1.339 0.441 -5.482 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.170 1.920 -3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.969 0.393 -3.341 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.366 2.626 -4.889 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.857 1.333 -4.864 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.187 1.954 -3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.234 2.260 -4.287 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.631 1.195 -5.579 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.820 2.746 -5.253 1.00 0.00 H new ATOM 659 N THR A 46 -0.349 -1.872 -5.508 1.00 0.00 N ATOM 660 CA THR A 46 -1.456 -2.450 -6.257 1.00 0.00 C ATOM 661 C THR A 46 -2.463 -3.115 -5.325 1.00 0.00 C ATOM 662 O THR A 46 -3.653 -2.804 -5.357 1.00 0.00 O ATOM 663 CB THR A 46 -0.961 -3.486 -7.283 1.00 0.00 C ATOM 664 OG1 THR A 46 -0.191 -2.838 -8.302 1.00 0.00 O ATOM 665 CG2 THR A 46 -2.132 -4.223 -7.916 1.00 0.00 C ATOM 0 H THR A 46 0.572 -2.062 -5.903 1.00 0.00 H new ATOM 0 HA THR A 46 -1.941 -1.630 -6.786 1.00 0.00 H new ATOM 0 HB THR A 46 -0.335 -4.210 -6.762 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.515 -3.117 -9.184 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.758 -4.949 -8.637 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.698 -4.740 -7.141 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.780 -3.509 -8.424 1.00 0.00 H new ATOM 673 N TYR A 47 -1.978 -4.032 -4.495 1.00 0.00 N ATOM 674 CA TYR A 47 -2.835 -4.743 -3.555 1.00 0.00 C ATOM 675 C TYR A 47 -2.661 -4.199 -2.140 1.00 0.00 C ATOM 676 O TYR A 47 -2.948 -4.884 -1.159 1.00 0.00 O ATOM 677 CB TYR A 47 -2.524 -6.240 -3.580 1.00 0.00 C ATOM 678 CG TYR A 47 -2.603 -6.852 -4.960 1.00 0.00 C ATOM 679 CD1 TYR A 47 -1.670 -6.530 -5.939 1.00 0.00 C ATOM 680 CD2 TYR A 47 -3.610 -7.752 -5.286 1.00 0.00 C ATOM 681 CE1 TYR A 47 -1.739 -7.086 -7.202 1.00 0.00 C ATOM 682 CE2 TYR A 47 -3.685 -8.315 -6.546 1.00 0.00 C ATOM 683 CZ TYR A 47 -2.748 -7.978 -7.500 1.00 0.00 C ATOM 684 OH TYR A 47 -2.821 -8.535 -8.757 1.00 0.00 O ATOM 0 H TYR A 47 -0.995 -4.300 -4.455 1.00 0.00 H new ATOM 0 HA TYR A 47 -3.870 -4.589 -3.859 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.524 -6.402 -3.177 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.221 -6.758 -2.921 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.878 -5.833 -5.708 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.347 -8.016 -4.542 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.007 -6.824 -7.952 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.473 -9.015 -6.782 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.589 -9.142 -8.802 1.00 0.00 H new ATOM 694 N GLY A 48 -2.188 -2.960 -2.044 1.00 0.00 N ATOM 695 CA GLY A 48 -1.983 -2.344 -0.746 1.00 0.00 C ATOM 696 C GLY A 48 -1.600 -3.351 0.321 1.00 0.00 C ATOM 697 O GLY A 48 -2.208 -3.396 1.389 1.00 0.00 O ATOM 0 H GLY A 48 -1.943 -2.372 -2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.201 -1.589 -0.825 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.895 -1.829 -0.444 1.00 0.00 H new ATOM 701 N VAL A 49 -0.587 -4.162 0.030 1.00 0.00 N ATOM 702 CA VAL A 49 -0.124 -5.174 0.972 1.00 0.00 C ATOM 703 C VAL A 49 1.391 -5.124 1.131 1.00 0.00 C ATOM 704 O VAL A 49 2.088 -4.488 0.340 1.00 0.00 O ATOM 705 CB VAL A 49 -0.534 -6.589 0.522 1.00 0.00 C ATOM 706 CG1 VAL A 49 -2.034 -6.790 0.692 1.00 0.00 C ATOM 707 CG2 VAL A 49 -0.116 -6.833 -0.919 1.00 0.00 C ATOM 0 H VAL A 49 -0.072 -4.138 -0.850 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.595 -4.954 1.930 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.020 -7.314 1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.305 -7.795 0.369 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.302 -6.661 1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.570 -6.058 0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.414 -7.838 -1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.600 -6.102 -1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.966 -6.734 -1.006 1.00 0.00 H new ATOM 717 N PHE A 50 1.895 -5.799 2.159 1.00 0.00 N ATOM 718 CA PHE A 50 3.329 -5.829 2.423 1.00 0.00 C ATOM 719 C PHE A 50 3.945 -7.134 1.926 1.00 0.00 C ATOM 720 O PHE A 50 3.278 -8.168 1.871 1.00 0.00 O ATOM 721 CB PHE A 50 3.597 -5.665 3.921 1.00 0.00 C ATOM 722 CG PHE A 50 3.472 -4.247 4.399 1.00 0.00 C ATOM 723 CD1 PHE A 50 4.549 -3.378 4.322 1.00 0.00 C ATOM 724 CD2 PHE A 50 2.278 -3.782 4.927 1.00 0.00 C ATOM 725 CE1 PHE A 50 4.439 -2.072 4.761 1.00 0.00 C ATOM 726 CE2 PHE A 50 2.162 -2.477 5.368 1.00 0.00 C ATOM 727 CZ PHE A 50 3.242 -1.622 5.286 1.00 0.00 C ATOM 0 H PHE A 50 1.332 -6.332 2.822 1.00 0.00 H new ATOM 0 HA PHE A 50 3.790 -5.000 1.885 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.899 -6.291 4.478 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.600 -6.029 4.145 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.486 -3.726 3.914 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.429 -4.446 4.995 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.286 -1.405 4.694 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.226 -2.127 5.777 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.152 -0.603 5.631 1.00 0.00 H new ATOM 737 N LEU A 51 5.221 -7.077 1.562 1.00 0.00 N ATOM 738 CA LEU A 51 5.929 -8.254 1.068 1.00 0.00 C ATOM 739 C LEU A 51 7.395 -8.224 1.489 1.00 0.00 C ATOM 740 O LEU A 51 7.889 -7.212 1.988 1.00 0.00 O ATOM 741 CB LEU A 51 5.826 -8.333 -0.455 1.00 0.00 C ATOM 742 CG LEU A 51 4.410 -8.305 -1.034 1.00 0.00 C ATOM 743 CD1 LEU A 51 4.451 -8.050 -2.533 1.00 0.00 C ATOM 744 CD2 LEU A 51 3.685 -9.608 -0.733 1.00 0.00 C ATOM 0 H LEU A 51 5.787 -6.229 1.599 1.00 0.00 H new ATOM 0 HA LEU A 51 5.463 -9.138 1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.388 -7.502 -0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.314 -9.250 -0.785 1.00 0.00 H new ATOM 0 HG LEU A 51 3.861 -7.490 -0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.435 -8.034 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.931 -7.090 -2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.017 -8.843 -3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.680 -9.570 -1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.232 -10.440 -1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.623 -9.749 0.346 1.00 0.00 H new ATOM 756 N CYS A 52 8.088 -9.338 1.281 1.00 0.00 N ATOM 757 CA CYS A 52 9.498 -9.441 1.637 1.00 0.00 C ATOM 758 C CYS A 52 10.362 -9.618 0.391 1.00 0.00 C ATOM 759 O CYS A 52 9.936 -10.232 -0.589 1.00 0.00 O ATOM 760 CB CYS A 52 9.721 -10.611 2.596 1.00 0.00 C ATOM 761 SG CYS A 52 9.373 -12.246 1.868 1.00 0.00 S ATOM 0 H CYS A 52 7.695 -10.184 0.867 1.00 0.00 H new ATOM 0 HA CYS A 52 9.790 -8.515 2.132 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.755 -10.592 2.942 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.089 -10.474 3.473 1.00 0.00 H new ATOM 766 N ILE A 53 11.575 -9.078 0.436 1.00 0.00 N ATOM 767 CA ILE A 53 12.498 -9.178 -0.687 1.00 0.00 C ATOM 768 C ILE A 53 12.303 -10.488 -1.443 1.00 0.00 C ATOM 769 O ILE A 53 12.347 -10.520 -2.673 1.00 0.00 O ATOM 770 CB ILE A 53 13.963 -9.079 -0.223 1.00 0.00 C ATOM 771 CG1 ILE A 53 14.910 -9.238 -1.414 1.00 0.00 C ATOM 772 CG2 ILE A 53 14.255 -10.130 0.837 1.00 0.00 C ATOM 773 CD1 ILE A 53 15.160 -7.947 -2.163 1.00 0.00 C ATOM 0 H ILE A 53 11.941 -8.566 1.239 1.00 0.00 H new ATOM 0 HA ILE A 53 12.279 -8.342 -1.351 1.00 0.00 H new ATOM 0 HB ILE A 53 14.124 -8.094 0.216 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.862 -9.634 -1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 53 14.495 -9.974 -2.103 1.00 0.00 H new ATOM 0 HG21 ILE A 53 15.294 -10.047 1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.600 -9.974 1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 53 14.080 -11.123 0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 53 15.840 -8.134 -2.994 1.00 0.00 H new ATOM 0 HD12 ILE A 53 14.216 -7.560 -2.547 1.00 0.00 H new ATOM 0 HD13 ILE A 53 15.605 -7.215 -1.488 1.00 0.00 H new ATOM 785 N ASP A 54 12.088 -11.567 -0.699 1.00 0.00 N ATOM 786 CA ASP A 54 11.883 -12.881 -1.299 1.00 0.00 C ATOM 787 C ASP A 54 10.622 -12.897 -2.157 1.00 0.00 C ATOM 788 O ASP A 54 10.690 -13.040 -3.377 1.00 0.00 O ATOM 789 CB ASP A 54 11.790 -13.953 -0.212 1.00 0.00 C ATOM 790 CG ASP A 54 13.074 -14.086 0.582 1.00 0.00 C ATOM 791 OD1 ASP A 54 14.160 -13.963 -0.021 1.00 0.00 O ATOM 792 OD2 ASP A 54 12.993 -14.313 1.808 1.00 0.00 O ATOM 0 H ASP A 54 12.051 -11.558 0.320 1.00 0.00 H new ATOM 0 HA ASP A 54 12.738 -13.098 -1.939 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.971 -13.709 0.465 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.549 -14.912 -0.671 1.00 0.00 H new ATOM 797 N CYS A 55 9.471 -12.750 -1.509 1.00 0.00 N ATOM 798 CA CYS A 55 8.193 -12.749 -2.210 1.00 0.00 C ATOM 799 C CYS A 55 8.126 -11.602 -3.216 1.00 0.00 C ATOM 800 O CYS A 55 7.908 -11.819 -4.408 1.00 0.00 O ATOM 801 CB CYS A 55 7.040 -12.635 -1.213 1.00 0.00 C ATOM 802 SG CYS A 55 6.941 -14.016 -0.029 1.00 0.00 S ATOM 0 H CYS A 55 9.398 -12.630 -0.499 1.00 0.00 H new ATOM 0 HA CYS A 55 8.103 -13.691 -2.752 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.144 -11.702 -0.659 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.102 -12.575 -1.764 1.00 0.00 H new ATOM 807 N SER A 56 8.314 -10.381 -2.726 1.00 0.00 N ATOM 808 CA SER A 56 8.271 -9.199 -3.579 1.00 0.00 C ATOM 809 C SER A 56 8.787 -9.521 -4.978 1.00 0.00 C ATOM 810 O SER A 56 8.263 -9.026 -5.975 1.00 0.00 O ATOM 811 CB SER A 56 9.101 -8.070 -2.965 1.00 0.00 C ATOM 812 OG SER A 56 10.452 -8.462 -2.800 1.00 0.00 O ATOM 0 H SER A 56 8.498 -10.184 -1.742 1.00 0.00 H new ATOM 0 HA SER A 56 7.233 -8.876 -3.658 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.050 -7.188 -3.604 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.680 -7.789 -2.000 1.00 0.00 H new ATOM 0 HG SER A 56 11.041 -7.714 -3.034 1.00 0.00 H new ATOM 818 N GLY A 57 9.819 -10.357 -5.044 1.00 0.00 N ATOM 819 CA GLY A 57 10.390 -10.731 -6.325 1.00 0.00 C ATOM 820 C GLY A 57 9.362 -11.325 -7.266 1.00 0.00 C ATOM 821 O GLY A 57 9.269 -10.925 -8.427 1.00 0.00 O ATOM 0 H GLY A 57 10.270 -10.782 -4.234 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.839 -9.853 -6.790 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.192 -11.452 -6.165 1.00 0.00 H new ATOM 825 N SER A 58 8.588 -12.283 -6.767 1.00 0.00 N ATOM 826 CA SER A 58 7.565 -12.938 -7.574 1.00 0.00 C ATOM 827 C SER A 58 6.668 -11.907 -8.255 1.00 0.00 C ATOM 828 O SER A 58 6.394 -12.000 -9.452 1.00 0.00 O ATOM 829 CB SER A 58 6.719 -13.871 -6.704 1.00 0.00 C ATOM 830 OG SER A 58 7.314 -15.152 -6.604 1.00 0.00 O ATOM 0 H SER A 58 8.650 -12.623 -5.807 1.00 0.00 H new ATOM 0 HA SER A 58 8.065 -13.525 -8.344 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.604 -13.441 -5.709 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.719 -13.963 -7.129 1.00 0.00 H new ATOM 0 HG SER A 58 6.756 -15.729 -6.042 1.00 0.00 H new ATOM 836 N HIS A 59 6.215 -10.925 -7.483 1.00 0.00 N ATOM 837 CA HIS A 59 5.350 -9.876 -8.011 1.00 0.00 C ATOM 838 C HIS A 59 6.052 -9.100 -9.122 1.00 0.00 C ATOM 839 O HIS A 59 5.471 -8.843 -10.176 1.00 0.00 O ATOM 840 CB HIS A 59 4.930 -8.921 -6.893 1.00 0.00 C ATOM 841 CG HIS A 59 3.770 -9.416 -6.086 1.00 0.00 C ATOM 842 ND1 HIS A 59 2.521 -8.835 -6.130 1.00 0.00 N ATOM 843 CD2 HIS A 59 3.675 -10.445 -5.212 1.00 0.00 C ATOM 844 CE1 HIS A 59 1.708 -9.485 -5.316 1.00 0.00 C ATOM 845 NE2 HIS A 59 2.383 -10.467 -4.747 1.00 0.00 N ATOM 0 H HIS A 59 6.432 -10.833 -6.491 1.00 0.00 H new ATOM 0 HA HIS A 59 4.461 -10.349 -8.428 1.00 0.00 H new ATOM 0 HB2 HIS A 59 5.779 -8.756 -6.230 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.673 -7.955 -7.329 1.00 0.00 H new ATOM 0 HD2 HIS A 59 4.468 -11.123 -4.932 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.667 -9.252 -5.145 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.006 -11.133 -4.072 1.00 0.00 H new ATOM 853 N ARG A 60 7.304 -8.729 -8.877 1.00 0.00 N ATOM 854 CA ARG A 60 8.085 -7.981 -9.856 1.00 0.00 C ATOM 855 C ARG A 60 8.123 -8.713 -11.194 1.00 0.00 C ATOM 856 O ARG A 60 8.083 -8.090 -12.255 1.00 0.00 O ATOM 857 CB ARG A 60 9.509 -7.760 -9.342 1.00 0.00 C ATOM 858 CG ARG A 60 9.610 -6.687 -8.269 1.00 0.00 C ATOM 859 CD ARG A 60 11.053 -6.450 -7.853 1.00 0.00 C ATOM 860 NE ARG A 60 11.280 -5.070 -7.430 1.00 0.00 N ATOM 861 CZ ARG A 60 11.396 -4.052 -8.276 1.00 0.00 C ATOM 862 NH1 ARG A 60 11.307 -4.258 -9.582 1.00 0.00 N ATOM 863 NH2 ARG A 60 11.602 -2.826 -7.815 1.00 0.00 N ATOM 0 H ARG A 60 7.800 -8.934 -8.009 1.00 0.00 H new ATOM 0 HA ARG A 60 7.606 -7.013 -10.004 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.892 -8.699 -8.942 1.00 0.00 H new ATOM 0 HB3 ARG A 60 10.150 -7.486 -10.180 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.180 -5.757 -8.641 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.024 -6.984 -7.400 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.311 -7.126 -7.038 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.714 -6.687 -8.686 1.00 0.00 H new ATOM 0 HE ARG A 60 11.353 -4.878 -6.431 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.149 -5.200 -9.940 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.396 -3.475 -10.229 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.672 -2.664 -6.810 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.691 -2.045 -8.465 1.00 0.00 H new ATOM 877 N SER A 61 8.203 -10.038 -11.136 1.00 0.00 N ATOM 878 CA SER A 61 8.252 -10.855 -12.343 1.00 0.00 C ATOM 879 C SER A 61 6.987 -10.670 -13.176 1.00 0.00 C ATOM 880 O SER A 61 7.053 -10.442 -14.384 1.00 0.00 O ATOM 881 CB SER A 61 8.424 -12.331 -11.979 1.00 0.00 C ATOM 882 OG SER A 61 9.776 -12.625 -11.670 1.00 0.00 O ATOM 0 H SER A 61 8.235 -10.569 -10.266 1.00 0.00 H new ATOM 0 HA SER A 61 9.108 -10.532 -12.936 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.791 -12.575 -11.126 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.093 -12.955 -12.809 1.00 0.00 H new ATOM 0 HG SER A 61 9.860 -13.574 -11.439 1.00 0.00 H new ATOM 888 N LEU A 62 5.835 -10.768 -12.520 1.00 0.00 N ATOM 889 CA LEU A 62 4.553 -10.612 -13.199 1.00 0.00 C ATOM 890 C LEU A 62 4.558 -9.375 -14.092 1.00 0.00 C ATOM 891 O LEU A 62 4.342 -9.469 -15.300 1.00 0.00 O ATOM 892 CB LEU A 62 3.421 -10.511 -12.175 1.00 0.00 C ATOM 893 CG LEU A 62 3.268 -11.699 -11.225 1.00 0.00 C ATOM 894 CD1 LEU A 62 2.475 -11.297 -9.991 1.00 0.00 C ATOM 895 CD2 LEU A 62 2.598 -12.868 -11.933 1.00 0.00 C ATOM 0 H LEU A 62 5.763 -10.955 -11.520 1.00 0.00 H new ATOM 0 HA LEU A 62 4.391 -11.489 -13.825 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.577 -9.612 -11.579 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.482 -10.378 -12.713 1.00 0.00 H new ATOM 0 HG LEU A 62 4.262 -12.014 -10.908 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.376 -12.155 -9.326 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.995 -10.493 -9.470 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.485 -10.954 -10.291 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.498 -13.704 -11.241 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.611 -12.565 -12.281 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.205 -13.174 -12.785 1.00 0.00 H new ATOM 907 N GLY A 63 4.805 -8.217 -13.489 1.00 0.00 N ATOM 908 CA GLY A 63 4.835 -6.978 -14.246 1.00 0.00 C ATOM 909 C GLY A 63 4.332 -5.796 -13.442 1.00 0.00 C ATOM 910 O GLY A 63 3.207 -5.808 -12.943 1.00 0.00 O ATOM 0 H GLY A 63 4.985 -8.114 -12.490 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.855 -6.782 -14.576 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.226 -7.089 -15.143 1.00 0.00 H new ATOM 914 N VAL A 64 5.169 -4.771 -13.314 1.00 0.00 N ATOM 915 CA VAL A 64 4.804 -3.574 -12.564 1.00 0.00 C ATOM 916 C VAL A 64 3.332 -3.232 -12.759 1.00 0.00 C ATOM 917 O VAL A 64 2.681 -2.706 -11.855 1.00 0.00 O ATOM 918 CB VAL A 64 5.661 -2.366 -12.985 1.00 0.00 C ATOM 919 CG1 VAL A 64 7.137 -2.649 -12.752 1.00 0.00 C ATOM 920 CG2 VAL A 64 5.401 -2.010 -14.440 1.00 0.00 C ATOM 0 H VAL A 64 6.104 -4.745 -13.720 1.00 0.00 H new ATOM 0 HA VAL A 64 4.987 -3.791 -11.512 1.00 0.00 H new ATOM 0 HB VAL A 64 5.379 -1.512 -12.370 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.726 -1.783 -13.056 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.306 -2.850 -11.694 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.438 -3.517 -13.339 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.015 -1.154 -14.720 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.653 -2.861 -15.073 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.348 -1.760 -14.571 1.00 0.00 H new ATOM 930 N HIS A 65 2.810 -3.535 -13.943 1.00 0.00 N ATOM 931 CA HIS A 65 1.413 -3.260 -14.257 1.00 0.00 C ATOM 932 C HIS A 65 0.486 -4.122 -13.405 1.00 0.00 C ATOM 933 O HIS A 65 -0.488 -3.627 -12.834 1.00 0.00 O ATOM 934 CB HIS A 65 1.142 -3.512 -15.740 1.00 0.00 C ATOM 935 CG HIS A 65 1.455 -4.910 -16.178 1.00 0.00 C ATOM 936 ND1 HIS A 65 2.708 -5.305 -16.594 1.00 0.00 N ATOM 937 CD2 HIS A 65 0.668 -6.008 -16.259 1.00 0.00 C ATOM 938 CE1 HIS A 65 2.679 -6.587 -16.916 1.00 0.00 C ATOM 939 NE2 HIS A 65 1.453 -7.037 -16.721 1.00 0.00 N ATOM 0 H HIS A 65 3.334 -3.971 -14.701 1.00 0.00 H new ATOM 0 HA HIS A 65 1.215 -2.212 -14.033 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.094 -3.301 -15.950 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.733 -2.814 -16.333 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.381 -6.065 -16.008 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.515 -7.167 -17.277 1.00 0.00 H new ATOM 0 HE2 HIS A 65 1.139 -7.993 -16.886 1.00 0.00 H new ATOM 947 N LEU A 66 0.794 -5.411 -13.323 1.00 0.00 N ATOM 948 CA LEU A 66 -0.012 -6.342 -12.541 1.00 0.00 C ATOM 949 C LEU A 66 0.094 -6.035 -11.051 1.00 0.00 C ATOM 950 O LEU A 66 -0.915 -5.955 -10.350 1.00 0.00 O ATOM 951 CB LEU A 66 0.430 -7.781 -12.810 1.00 0.00 C ATOM 952 CG LEU A 66 -0.663 -8.847 -12.727 1.00 0.00 C ATOM 953 CD1 LEU A 66 -1.290 -9.076 -14.093 1.00 0.00 C ATOM 954 CD2 LEU A 66 -0.101 -10.146 -12.172 1.00 0.00 C ATOM 0 H LEU A 66 1.596 -5.836 -13.788 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.053 -6.226 -12.844 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.875 -7.823 -13.804 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.214 -8.038 -12.098 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.439 -8.492 -12.049 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.066 -9.838 -14.014 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.730 -8.146 -14.452 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.524 -9.409 -14.794 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.893 -10.893 -12.120 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.695 -10.506 -12.824 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.299 -9.972 -11.173 1.00 0.00 H new ATOM 966 N SER A 67 1.323 -5.863 -10.574 1.00 0.00 N ATOM 967 CA SER A 67 1.561 -5.565 -9.166 1.00 0.00 C ATOM 968 C SER A 67 2.794 -4.683 -8.998 1.00 0.00 C ATOM 969 O SER A 67 3.926 -5.148 -9.127 1.00 0.00 O ATOM 970 CB SER A 67 1.735 -6.861 -8.372 1.00 0.00 C ATOM 971 OG SER A 67 1.211 -6.731 -7.062 1.00 0.00 O ATOM 0 H SER A 67 2.169 -5.925 -11.141 1.00 0.00 H new ATOM 0 HA SER A 67 0.695 -5.025 -8.783 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.232 -7.678 -8.889 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.792 -7.120 -8.320 1.00 0.00 H new ATOM 0 HG SER A 67 1.748 -7.265 -6.440 1.00 0.00 H new ATOM 977 N PHE A 68 2.565 -3.407 -8.709 1.00 0.00 N ATOM 978 CA PHE A 68 3.656 -2.457 -8.524 1.00 0.00 C ATOM 979 C PHE A 68 4.285 -2.614 -7.144 1.00 0.00 C ATOM 980 O PHE A 68 3.583 -2.688 -6.135 1.00 0.00 O ATOM 981 CB PHE A 68 3.151 -1.024 -8.708 1.00 0.00 C ATOM 982 CG PHE A 68 4.235 -0.047 -9.063 1.00 0.00 C ATOM 983 CD1 PHE A 68 4.652 0.099 -10.376 1.00 0.00 C ATOM 984 CD2 PHE A 68 4.838 0.725 -8.083 1.00 0.00 C ATOM 985 CE1 PHE A 68 5.648 0.998 -10.706 1.00 0.00 C ATOM 986 CE2 PHE A 68 5.835 1.626 -8.407 1.00 0.00 C ATOM 987 CZ PHE A 68 6.241 1.761 -9.720 1.00 0.00 C ATOM 0 H PHE A 68 1.634 -3.006 -8.598 1.00 0.00 H new ATOM 0 HA PHE A 68 4.417 -2.665 -9.276 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.392 -1.012 -9.490 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.666 -0.697 -7.788 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.193 -0.497 -11.151 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.526 0.622 -7.054 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.962 1.104 -11.734 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.296 2.224 -7.634 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.021 2.463 -9.975 1.00 0.00 H new ATOM 997 N ILE A 69 5.613 -2.662 -7.106 1.00 0.00 N ATOM 998 CA ILE A 69 6.336 -2.809 -5.850 1.00 0.00 C ATOM 999 C ILE A 69 7.150 -1.558 -5.534 1.00 0.00 C ATOM 1000 O ILE A 69 7.750 -0.954 -6.423 1.00 0.00 O ATOM 1001 CB ILE A 69 7.280 -4.027 -5.882 1.00 0.00 C ATOM 1002 CG1 ILE A 69 6.706 -5.120 -6.786 1.00 0.00 C ATOM 1003 CG2 ILE A 69 7.506 -4.559 -4.475 1.00 0.00 C ATOM 1004 CD1 ILE A 69 5.472 -5.786 -6.219 1.00 0.00 C ATOM 0 H ILE A 69 6.209 -2.601 -7.931 1.00 0.00 H new ATOM 0 HA ILE A 69 5.588 -2.959 -5.072 1.00 0.00 H new ATOM 0 HB ILE A 69 8.241 -3.713 -6.289 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.462 -4.687 -7.756 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.471 -5.877 -6.958 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.175 -5.419 -4.514 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.953 -3.779 -3.859 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.552 -4.861 -4.042 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.120 -6.550 -6.912 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.715 -6.249 -5.262 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.691 -5.040 -6.073 1.00 0.00 H new ATOM 1016 N ARG A 70 7.166 -1.176 -4.261 1.00 0.00 N ATOM 1017 CA ARG A 70 7.906 0.003 -3.827 1.00 0.00 C ATOM 1018 C ARG A 70 8.419 -0.172 -2.400 1.00 0.00 C ATOM 1019 O ARG A 70 7.744 -0.759 -1.556 1.00 0.00 O ATOM 1020 CB ARG A 70 7.021 1.248 -3.914 1.00 0.00 C ATOM 1021 CG ARG A 70 7.016 1.897 -5.288 1.00 0.00 C ATOM 1022 CD ARG A 70 8.107 2.948 -5.412 1.00 0.00 C ATOM 1023 NE ARG A 70 8.333 3.341 -6.800 1.00 0.00 N ATOM 1024 CZ ARG A 70 8.785 4.538 -7.160 1.00 0.00 C ATOM 1025 NH1 ARG A 70 9.057 5.452 -6.240 1.00 0.00 N ATOM 1026 NH2 ARG A 70 8.966 4.820 -8.444 1.00 0.00 N ATOM 0 H ARG A 70 6.675 -1.665 -3.513 1.00 0.00 H new ATOM 0 HA ARG A 70 8.762 0.128 -4.490 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.000 0.977 -3.646 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.361 1.977 -3.178 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.157 1.133 -6.053 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.045 2.356 -5.471 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.833 3.826 -4.827 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.034 2.560 -4.990 1.00 0.00 H new ATOM 0 HE ARG A 70 8.133 2.660 -7.533 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.920 5.238 -5.252 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.404 6.370 -6.520 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.758 4.118 -9.154 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.313 5.739 -8.720 1.00 0.00 H new ATOM 1040 N SER A 71 9.616 0.343 -2.141 1.00 0.00 N ATOM 1041 CA SER A 71 10.222 0.239 -0.818 1.00 0.00 C ATOM 1042 C SER A 71 9.713 1.347 0.100 1.00 0.00 C ATOM 1043 O SER A 71 9.277 2.402 -0.362 1.00 0.00 O ATOM 1044 CB SER A 71 11.746 0.310 -0.924 1.00 0.00 C ATOM 1045 OG SER A 71 12.291 -0.949 -1.281 1.00 0.00 O ATOM 0 H SER A 71 10.186 0.836 -2.829 1.00 0.00 H new ATOM 0 HA SER A 71 9.940 -0.723 -0.391 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.028 1.056 -1.667 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.165 0.635 0.028 1.00 0.00 H new ATOM 0 HG SER A 71 13.115 -0.815 -1.794 1.00 0.00 H new ATOM 1051 N THR A 72 9.773 1.100 1.404 1.00 0.00 N ATOM 1052 CA THR A 72 9.317 2.075 2.389 1.00 0.00 C ATOM 1053 C THR A 72 10.497 2.777 3.053 1.00 0.00 C ATOM 1054 O THR A 72 10.424 3.962 3.375 1.00 0.00 O ATOM 1055 CB THR A 72 8.450 1.412 3.475 1.00 0.00 C ATOM 1056 OG1 THR A 72 9.153 0.311 4.060 1.00 0.00 O ATOM 1057 CG2 THR A 72 7.131 0.927 2.893 1.00 0.00 C ATOM 0 H THR A 72 10.133 0.233 1.804 1.00 0.00 H new ATOM 0 HA THR A 72 8.715 2.809 1.854 1.00 0.00 H new ATOM 0 HB THR A 72 8.238 2.156 4.243 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.058 -0.479 3.488 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.536 0.462 3.679 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.585 1.773 2.476 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.326 0.198 2.107 1.00 0.00 H new ATOM 1065 N GLU A 73 11.582 2.037 3.256 1.00 0.00 N ATOM 1066 CA GLU A 73 12.776 2.589 3.883 1.00 0.00 C ATOM 1067 C GLU A 73 13.658 3.289 2.852 1.00 0.00 C ATOM 1068 O GLU A 73 14.195 4.368 3.107 1.00 0.00 O ATOM 1069 CB GLU A 73 13.570 1.485 4.583 1.00 0.00 C ATOM 1070 CG GLU A 73 12.724 0.611 5.493 1.00 0.00 C ATOM 1071 CD GLU A 73 12.655 1.142 6.913 1.00 0.00 C ATOM 1072 OE1 GLU A 73 12.456 2.363 7.079 1.00 0.00 O ATOM 1073 OE2 GLU A 73 12.800 0.336 7.855 1.00 0.00 O ATOM 0 H GLU A 73 11.658 1.054 2.995 1.00 0.00 H new ATOM 0 HA GLU A 73 12.459 3.323 4.624 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.045 0.857 3.829 1.00 0.00 H new ATOM 0 HB3 GLU A 73 14.369 1.939 5.169 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.715 0.539 5.086 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.135 -0.398 5.506 1.00 0.00 H new ATOM 1080 N LEU A 74 13.803 2.667 1.687 1.00 0.00 N ATOM 1081 CA LEU A 74 14.619 3.228 0.616 1.00 0.00 C ATOM 1082 C LEU A 74 13.803 4.181 -0.250 1.00 0.00 C ATOM 1083 O LEU A 74 14.066 5.383 -0.286 1.00 0.00 O ATOM 1084 CB LEU A 74 15.202 2.108 -0.248 1.00 0.00 C ATOM 1085 CG LEU A 74 15.953 1.005 0.500 1.00 0.00 C ATOM 1086 CD1 LEU A 74 15.043 -0.188 0.745 1.00 0.00 C ATOM 1087 CD2 LEU A 74 17.192 0.583 -0.277 1.00 0.00 C ATOM 0 H LEU A 74 13.366 1.774 1.460 1.00 0.00 H new ATOM 0 HA LEU A 74 15.435 3.790 1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.389 1.649 -0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 74 15.881 2.553 -0.975 1.00 0.00 H new ATOM 0 HG LEU A 74 16.270 1.398 1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 74 15.594 -0.963 1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 74 14.187 0.124 1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 74 14.695 -0.582 -0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 74 17.714 -0.202 0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 74 16.897 0.208 -1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 74 17.854 1.440 -0.401 1.00 0.00 H new ATOM 1099 N ASP A 75 12.809 3.637 -0.943 1.00 0.00 N ATOM 1100 CA ASP A 75 11.949 4.439 -1.806 1.00 0.00 C ATOM 1101 C ASP A 75 11.131 5.432 -0.987 1.00 0.00 C ATOM 1102 O ASP A 75 10.281 5.039 -0.187 1.00 0.00 O ATOM 1103 CB ASP A 75 11.019 3.536 -2.617 1.00 0.00 C ATOM 1104 CG ASP A 75 11.658 3.049 -3.902 1.00 0.00 C ATOM 1105 OD1 ASP A 75 11.808 3.864 -4.835 1.00 0.00 O ATOM 1106 OD2 ASP A 75 12.007 1.852 -3.974 1.00 0.00 O ATOM 0 H ASP A 75 12.579 2.644 -0.924 1.00 0.00 H new ATOM 0 HA ASP A 75 12.585 5.000 -2.491 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.731 2.678 -2.010 1.00 0.00 H new ATOM 0 HB3 ASP A 75 10.105 4.080 -2.853 1.00 0.00 H new ATOM 1111 N SER A 76 11.392 6.718 -1.191 1.00 0.00 N ATOM 1112 CA SER A 76 10.683 7.767 -0.468 1.00 0.00 C ATOM 1113 C SER A 76 10.024 8.744 -1.437 1.00 0.00 C ATOM 1114 O SER A 76 9.961 9.946 -1.178 1.00 0.00 O ATOM 1115 CB SER A 76 11.644 8.518 0.455 1.00 0.00 C ATOM 1116 OG SER A 76 12.329 7.624 1.315 1.00 0.00 O ATOM 0 H SER A 76 12.090 7.060 -1.852 1.00 0.00 H new ATOM 0 HA SER A 76 9.905 7.297 0.133 1.00 0.00 H new ATOM 0 HB2 SER A 76 12.365 9.077 -0.142 1.00 0.00 H new ATOM 0 HB3 SER A 76 11.090 9.245 1.048 1.00 0.00 H new ATOM 0 HG SER A 76 12.938 8.129 1.893 1.00 0.00 H new ATOM 1122 N ASN A 77 9.532 8.219 -2.554 1.00 0.00 N ATOM 1123 CA ASN A 77 8.877 9.043 -3.563 1.00 0.00 C ATOM 1124 C ASN A 77 7.452 8.561 -3.818 1.00 0.00 C ATOM 1125 O ASN A 77 6.948 8.647 -4.938 1.00 0.00 O ATOM 1126 CB ASN A 77 9.676 9.020 -4.868 1.00 0.00 C ATOM 1127 CG ASN A 77 10.883 9.938 -4.822 1.00 0.00 C ATOM 1128 OD1 ASN A 77 10.866 10.971 -4.153 1.00 0.00 O ATOM 1129 ND2 ASN A 77 11.939 9.564 -5.536 1.00 0.00 N ATOM 0 H ASN A 77 9.574 7.226 -2.783 1.00 0.00 H new ATOM 0 HA ASN A 77 8.834 10.066 -3.189 1.00 0.00 H new ATOM 0 HB2 ASN A 77 10.005 8.001 -5.072 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.028 9.317 -5.693 1.00 0.00 H new ATOM 0 HD21 ASN A 77 12.780 10.142 -5.544 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.909 8.699 -6.076 1.00 0.00 H new ATOM 1136 N TRP A 78 6.810 8.053 -2.773 1.00 0.00 N ATOM 1137 CA TRP A 78 5.442 7.558 -2.884 1.00 0.00 C ATOM 1138 C TRP A 78 4.472 8.697 -3.175 1.00 0.00 C ATOM 1139 O TRP A 78 4.711 9.842 -2.790 1.00 0.00 O ATOM 1140 CB TRP A 78 5.033 6.838 -1.598 1.00 0.00 C ATOM 1141 CG TRP A 78 5.590 5.451 -1.490 1.00 0.00 C ATOM 1142 CD1 TRP A 78 6.904 5.088 -1.558 1.00 0.00 C ATOM 1143 CD2 TRP A 78 4.846 4.242 -1.299 1.00 0.00 C ATOM 1144 NE1 TRP A 78 7.023 3.725 -1.420 1.00 0.00 N ATOM 1145 CE2 TRP A 78 5.775 3.184 -1.258 1.00 0.00 C ATOM 1146 CE3 TRP A 78 3.488 3.950 -1.154 1.00 0.00 C ATOM 1147 CZ2 TRP A 78 5.387 1.859 -1.081 1.00 0.00 C ATOM 1148 CZ3 TRP A 78 3.103 2.635 -0.979 1.00 0.00 C ATOM 1149 CH2 TRP A 78 4.049 1.602 -0.944 1.00 0.00 C ATOM 0 H TRP A 78 7.214 7.973 -1.840 1.00 0.00 H new ATOM 0 HA TRP A 78 5.403 6.853 -3.715 1.00 0.00 H new ATOM 0 HB2 TRP A 78 5.366 7.423 -0.741 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.945 6.790 -1.547 1.00 0.00 H new ATOM 0 HD1 TRP A 78 7.729 5.771 -1.699 1.00 0.00 H new ATOM 0 HE1 TRP A 78 7.898 3.202 -1.436 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.751 4.739 -1.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 6.115 1.062 -1.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 2.055 2.399 -0.867 1.00 0.00 H new ATOM 0 HH2 TRP A 78 3.717 0.584 -0.806 1.00 0.00 H new ATOM 1160 N SER A 79 3.376 8.377 -3.854 1.00 0.00 N ATOM 1161 CA SER A 79 2.371 9.375 -4.200 1.00 0.00 C ATOM 1162 C SER A 79 1.175 9.291 -3.257 1.00 0.00 C ATOM 1163 O SER A 79 0.727 8.201 -2.901 1.00 0.00 O ATOM 1164 CB SER A 79 1.908 9.186 -5.646 1.00 0.00 C ATOM 1165 OG SER A 79 3.014 9.144 -6.532 1.00 0.00 O ATOM 0 H SER A 79 3.161 7.433 -4.176 1.00 0.00 H new ATOM 0 HA SER A 79 2.825 10.361 -4.098 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.335 8.263 -5.730 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.242 10.002 -5.928 1.00 0.00 H new ATOM 0 HG SER A 79 2.693 9.021 -7.450 1.00 0.00 H new ATOM 1171 N TRP A 80 0.662 10.449 -2.856 1.00 0.00 N ATOM 1172 CA TRP A 80 -0.482 10.506 -1.954 1.00 0.00 C ATOM 1173 C TRP A 80 -1.465 9.379 -2.249 1.00 0.00 C ATOM 1174 O TRP A 80 -2.040 8.788 -1.334 1.00 0.00 O ATOM 1175 CB TRP A 80 -1.187 11.858 -2.077 1.00 0.00 C ATOM 1176 CG TRP A 80 -0.442 12.979 -1.416 1.00 0.00 C ATOM 1177 CD1 TRP A 80 0.016 14.120 -2.009 1.00 0.00 C ATOM 1178 CD2 TRP A 80 -0.068 13.062 -0.036 1.00 0.00 C ATOM 1179 NE1 TRP A 80 0.652 14.909 -1.081 1.00 0.00 N ATOM 1180 CE2 TRP A 80 0.614 14.283 0.136 1.00 0.00 C ATOM 1181 CE3 TRP A 80 -0.244 12.226 1.070 1.00 0.00 C ATOM 1182 CZ2 TRP A 80 1.119 14.684 1.370 1.00 0.00 C ATOM 1183 CZ3 TRP A 80 0.259 12.626 2.293 1.00 0.00 C ATOM 1184 CH2 TRP A 80 0.932 13.846 2.436 1.00 0.00 C ATOM 0 H TRP A 80 1.020 11.360 -3.141 1.00 0.00 H new ATOM 0 HA TRP A 80 -0.115 10.386 -0.935 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -1.323 12.094 -3.132 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -2.181 11.783 -1.637 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -0.104 14.366 -3.054 1.00 0.00 H new ATOM 0 HE1 TRP A 80 1.083 15.814 -1.268 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -0.764 11.285 0.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 1.640 15.623 1.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 0.131 11.987 3.154 1.00 0.00 H new ATOM 0 HH2 TRP A 80 1.311 14.131 3.406 1.00 0.00 H new ATOM 1195 N PHE A 81 -1.654 9.084 -3.530 1.00 0.00 N ATOM 1196 CA PHE A 81 -2.568 8.026 -3.945 1.00 0.00 C ATOM 1197 C PHE A 81 -2.042 6.656 -3.525 1.00 0.00 C ATOM 1198 O PHE A 81 -2.706 5.923 -2.794 1.00 0.00 O ATOM 1199 CB PHE A 81 -2.771 8.064 -5.461 1.00 0.00 C ATOM 1200 CG PHE A 81 -4.025 7.372 -5.915 1.00 0.00 C ATOM 1201 CD1 PHE A 81 -5.263 7.770 -5.437 1.00 0.00 C ATOM 1202 CD2 PHE A 81 -3.965 6.325 -6.820 1.00 0.00 C ATOM 1203 CE1 PHE A 81 -6.418 7.134 -5.853 1.00 0.00 C ATOM 1204 CE2 PHE A 81 -5.117 5.686 -7.240 1.00 0.00 C ATOM 1205 CZ PHE A 81 -6.345 6.092 -6.756 1.00 0.00 C ATOM 0 H PHE A 81 -1.186 9.563 -4.300 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.526 8.194 -3.453 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.799 9.103 -5.790 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -1.913 7.599 -5.946 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.326 8.586 -4.732 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.007 6.004 -7.202 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -7.377 7.452 -5.472 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.057 4.871 -7.946 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.247 5.595 -7.083 1.00 0.00 H new ATOM 1215 N GLN A 82 -0.844 6.320 -3.994 1.00 0.00 N ATOM 1216 CA GLN A 82 -0.230 5.039 -3.669 1.00 0.00 C ATOM 1217 C GLN A 82 -0.079 4.875 -2.160 1.00 0.00 C ATOM 1218 O GLN A 82 -0.037 3.755 -1.647 1.00 0.00 O ATOM 1219 CB GLN A 82 1.136 4.918 -4.346 1.00 0.00 C ATOM 1220 CG GLN A 82 1.073 5.006 -5.862 1.00 0.00 C ATOM 1221 CD GLN A 82 2.438 5.202 -6.493 1.00 0.00 C ATOM 1222 OE1 GLN A 82 3.417 5.491 -5.803 1.00 0.00 O ATOM 1223 NE2 GLN A 82 2.510 5.046 -7.810 1.00 0.00 N ATOM 0 H GLN A 82 -0.281 6.917 -4.600 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.882 4.248 -4.039 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.789 5.706 -3.971 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.589 3.968 -4.064 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.622 4.095 -6.256 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.423 5.833 -6.147 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.673 4.806 -8.342 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.402 5.166 -8.290 1.00 0.00 H new ATOM 1232 N LEU A 83 0.003 5.997 -1.454 1.00 0.00 N ATOM 1233 CA LEU A 83 0.150 5.978 -0.003 1.00 0.00 C ATOM 1234 C LEU A 83 -1.124 5.474 0.668 1.00 0.00 C ATOM 1235 O LEU A 83 -1.133 4.409 1.285 1.00 0.00 O ATOM 1236 CB LEU A 83 0.492 7.377 0.513 1.00 0.00 C ATOM 1237 CG LEU A 83 1.947 7.818 0.345 1.00 0.00 C ATOM 1238 CD1 LEU A 83 2.057 9.333 0.405 1.00 0.00 C ATOM 1239 CD2 LEU A 83 2.825 7.175 1.410 1.00 0.00 C ATOM 0 H LEU A 83 -0.030 6.931 -1.862 1.00 0.00 H new ATOM 0 HA LEU A 83 0.963 5.296 0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.146 8.097 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.239 7.423 1.572 1.00 0.00 H new ATOM 0 HG LEU A 83 2.296 7.488 -0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.099 9.627 0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.460 9.773 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.690 9.687 1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.857 7.500 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.476 7.474 2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.771 6.090 1.319 1.00 0.00 H new ATOM 1251 N ARG A 84 -2.199 6.246 0.540 1.00 0.00 N ATOM 1252 CA ARG A 84 -3.479 5.877 1.132 1.00 0.00 C ATOM 1253 C ARG A 84 -3.887 4.469 0.711 1.00 0.00 C ATOM 1254 O ARG A 84 -4.492 3.729 1.488 1.00 0.00 O ATOM 1255 CB ARG A 84 -4.561 6.878 0.723 1.00 0.00 C ATOM 1256 CG ARG A 84 -4.185 8.326 0.989 1.00 0.00 C ATOM 1257 CD ARG A 84 -4.088 8.611 2.479 1.00 0.00 C ATOM 1258 NE ARG A 84 -4.463 9.986 2.799 1.00 0.00 N ATOM 1259 CZ ARG A 84 -3.597 10.991 2.854 1.00 0.00 C ATOM 1260 NH1 ARG A 84 -2.311 10.776 2.612 1.00 0.00 N ATOM 1261 NH2 ARG A 84 -4.015 12.214 3.153 1.00 0.00 N ATOM 0 H ARG A 84 -2.208 7.130 0.032 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.369 5.895 2.216 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -4.773 6.756 -0.339 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.480 6.646 1.261 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.231 8.549 0.512 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.928 8.985 0.539 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.735 7.923 3.023 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.069 8.425 2.818 1.00 0.00 H new ATOM 0 HE ARG A 84 -5.445 10.185 2.991 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.985 9.837 2.383 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.648 11.550 2.655 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -5.003 12.383 3.341 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.348 12.985 3.195 1.00 0.00 H new ATOM 1275 N CYS A 85 -3.554 4.106 -0.522 1.00 0.00 N ATOM 1276 CA CYS A 85 -3.887 2.787 -1.048 1.00 0.00 C ATOM 1277 C CYS A 85 -3.470 1.692 -0.071 1.00 0.00 C ATOM 1278 O CYS A 85 -4.113 0.646 0.016 1.00 0.00 O ATOM 1279 CB CYS A 85 -3.209 2.568 -2.401 1.00 0.00 C ATOM 1280 SG CYS A 85 -3.990 3.452 -3.770 1.00 0.00 S ATOM 0 H CYS A 85 -3.053 4.707 -1.177 1.00 0.00 H new ATOM 0 HA CYS A 85 -4.968 2.737 -1.181 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.167 2.881 -2.328 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -3.207 1.501 -2.626 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.713 4.719 -3.683 1.00 0.00 H new ATOM 1286 N MET A 86 -2.387 1.939 0.659 1.00 0.00 N ATOM 1287 CA MET A 86 -1.882 0.972 1.628 1.00 0.00 C ATOM 1288 C MET A 86 -2.798 0.897 2.846 1.00 0.00 C ATOM 1289 O MET A 86 -3.063 -0.185 3.366 1.00 0.00 O ATOM 1290 CB MET A 86 -0.464 1.347 2.063 1.00 0.00 C ATOM 1291 CG MET A 86 0.495 1.543 0.901 1.00 0.00 C ATOM 1292 SD MET A 86 0.633 0.079 -0.141 1.00 0.00 S ATOM 1293 CE MET A 86 1.384 -1.080 1.001 1.00 0.00 C ATOM 0 H MET A 86 -1.843 2.799 0.598 1.00 0.00 H new ATOM 0 HA MET A 86 -1.860 -0.008 1.151 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.503 2.265 2.650 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.075 0.567 2.717 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.159 2.385 0.295 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.480 1.803 1.288 1.00 0.00 H new ATOM 0 HE1 MET A 86 1.728 -1.958 0.455 1.00 0.00 H new ATOM 0 HE2 MET A 86 2.231 -0.606 1.496 1.00 0.00 H new ATOM 0 HE3 MET A 86 0.650 -1.382 1.748 1.00 0.00 H new ATOM 1303 N GLN A 87 -3.275 2.054 3.295 1.00 0.00 N ATOM 1304 CA GLN A 87 -4.159 2.117 4.452 1.00 0.00 C ATOM 1305 C GLN A 87 -5.538 1.561 4.115 1.00 0.00 C ATOM 1306 O GLN A 87 -5.984 0.577 4.706 1.00 0.00 O ATOM 1307 CB GLN A 87 -4.284 3.560 4.946 1.00 0.00 C ATOM 1308 CG GLN A 87 -2.959 4.175 5.367 1.00 0.00 C ATOM 1309 CD GLN A 87 -3.113 5.170 6.501 1.00 0.00 C ATOM 1310 OE1 GLN A 87 -4.223 5.435 6.965 1.00 0.00 O ATOM 1311 NE2 GLN A 87 -1.997 5.727 6.955 1.00 0.00 N ATOM 0 H GLN A 87 -3.064 2.959 2.875 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.725 1.505 5.243 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -4.723 4.169 4.156 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.973 3.588 5.790 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.276 3.383 5.674 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.505 4.673 4.510 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -1.098 5.479 6.542 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -2.038 6.403 7.717 1.00 0.00 H new ATOM 1320 N VAL A 88 -6.210 2.197 3.161 1.00 0.00 N ATOM 1321 CA VAL A 88 -7.540 1.765 2.745 1.00 0.00 C ATOM 1322 C VAL A 88 -7.588 0.256 2.540 1.00 0.00 C ATOM 1323 O VAL A 88 -8.659 -0.349 2.552 1.00 0.00 O ATOM 1324 CB VAL A 88 -7.973 2.463 1.442 1.00 0.00 C ATOM 1325 CG1 VAL A 88 -8.117 3.962 1.660 1.00 0.00 C ATOM 1326 CG2 VAL A 88 -6.980 2.173 0.326 1.00 0.00 C ATOM 0 H VAL A 88 -5.856 3.013 2.662 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.228 2.042 3.544 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.945 2.068 1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.423 4.437 0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.869 4.148 2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.161 4.376 1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.302 2.674 -0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.994 2.539 0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.932 1.098 0.152 1.00 0.00 H new ATOM 1336 N GLY A 89 -6.418 -0.349 2.352 1.00 0.00 N ATOM 1337 CA GLY A 89 -6.350 -1.783 2.148 1.00 0.00 C ATOM 1338 C GLY A 89 -5.717 -2.506 3.321 1.00 0.00 C ATOM 1339 O GLY A 89 -6.357 -2.709 4.352 1.00 0.00 O ATOM 0 H GLY A 89 -5.517 0.129 2.338 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.355 -2.172 1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.777 -1.992 1.244 1.00 0.00 H new ATOM 1343 N GLY A 90 -4.457 -2.898 3.164 1.00 0.00 N ATOM 1344 CA GLY A 90 -3.759 -3.600 4.225 1.00 0.00 C ATOM 1345 C GLY A 90 -3.784 -5.105 4.039 1.00 0.00 C ATOM 1346 O GLY A 90 -4.686 -5.642 3.399 1.00 0.00 O ATOM 0 H GLY A 90 -3.906 -2.742 2.320 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.724 -3.259 4.263 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.213 -3.348 5.183 1.00 0.00 H new ATOM 1350 N ASN A 91 -2.790 -5.785 4.601 1.00 0.00 N ATOM 1351 CA ASN A 91 -2.701 -7.237 4.491 1.00 0.00 C ATOM 1352 C ASN A 91 -4.052 -7.887 4.768 1.00 0.00 C ATOM 1353 O ASN A 91 -4.704 -8.398 3.859 1.00 0.00 O ATOM 1354 CB ASN A 91 -1.652 -7.778 5.466 1.00 0.00 C ATOM 1355 CG ASN A 91 -0.354 -6.996 5.412 1.00 0.00 C ATOM 1356 OD1 ASN A 91 -0.358 -5.776 5.249 1.00 0.00 O ATOM 1357 ND2 ASN A 91 0.765 -7.697 5.549 1.00 0.00 N ATOM 0 H ASN A 91 -2.036 -5.355 5.136 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.402 -7.483 3.472 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -2.051 -7.745 6.480 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -1.452 -8.825 5.236 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.669 -7.225 5.521 1.00 0.00 H new ATOM 0 HD22 ASN A 91 0.721 -8.707 5.682 1.00 0.00 H new ATOM 1364 N ALA A 92 -4.467 -7.864 6.031 1.00 0.00 N ATOM 1365 CA ALA A 92 -5.741 -8.448 6.427 1.00 0.00 C ATOM 1366 C ALA A 92 -6.777 -8.313 5.316 1.00 0.00 C ATOM 1367 O ALA A 92 -7.304 -9.310 4.820 1.00 0.00 O ATOM 1368 CB ALA A 92 -6.248 -7.794 7.705 1.00 0.00 C ATOM 0 H ALA A 92 -3.938 -7.447 6.797 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.582 -9.510 6.613 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.201 -8.241 7.989 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.523 -7.947 8.504 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.384 -6.725 7.538 1.00 0.00 H new ATOM 1374 N SER A 93 -7.065 -7.074 4.929 1.00 0.00 N ATOM 1375 CA SER A 93 -8.042 -6.808 3.880 1.00 0.00 C ATOM 1376 C SER A 93 -8.034 -7.922 2.836 1.00 0.00 C ATOM 1377 O SER A 93 -9.038 -8.606 2.635 1.00 0.00 O ATOM 1378 CB SER A 93 -7.749 -5.465 3.209 1.00 0.00 C ATOM 1379 OG SER A 93 -8.943 -4.844 2.767 1.00 0.00 O ATOM 0 H SER A 93 -6.635 -6.239 5.327 1.00 0.00 H new ATOM 0 HA SER A 93 -9.030 -6.769 4.339 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.233 -4.810 3.910 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.079 -5.616 2.362 1.00 0.00 H new ATOM 0 HG SER A 93 -8.728 -3.987 2.343 1.00 0.00 H new ATOM 1385 N ALA A 94 -6.894 -8.098 2.176 1.00 0.00 N ATOM 1386 CA ALA A 94 -6.754 -9.130 1.156 1.00 0.00 C ATOM 1387 C ALA A 94 -6.720 -10.520 1.781 1.00 0.00 C ATOM 1388 O ALA A 94 -7.387 -11.440 1.309 1.00 0.00 O ATOM 1389 CB ALA A 94 -5.499 -8.889 0.330 1.00 0.00 C ATOM 0 H ALA A 94 -6.054 -7.540 2.329 1.00 0.00 H new ATOM 0 HA ALA A 94 -7.623 -9.077 0.500 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.407 -9.667 -0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -5.565 -7.915 -0.156 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.625 -8.912 0.981 1.00 0.00 H new ATOM 1395 N SER A 95 -5.938 -10.666 2.846 1.00 0.00 N ATOM 1396 CA SER A 95 -5.813 -11.946 3.534 1.00 0.00 C ATOM 1397 C SER A 95 -7.135 -12.706 3.512 1.00 0.00 C ATOM 1398 O SER A 95 -7.158 -13.932 3.413 1.00 0.00 O ATOM 1399 CB SER A 95 -5.360 -11.730 4.979 1.00 0.00 C ATOM 1400 OG SER A 95 -5.222 -12.965 5.660 1.00 0.00 O ATOM 0 H SER A 95 -5.381 -9.914 3.251 1.00 0.00 H new ATOM 0 HA SER A 95 -5.064 -12.540 3.011 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.409 -11.197 4.990 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.083 -11.102 5.500 1.00 0.00 H new ATOM 0 HG SER A 95 -4.930 -12.800 6.581 1.00 0.00 H new ATOM 1406 N SER A 96 -8.237 -11.967 3.603 1.00 0.00 N ATOM 1407 CA SER A 96 -9.564 -12.570 3.597 1.00 0.00 C ATOM 1408 C SER A 96 -10.258 -12.343 2.258 1.00 0.00 C ATOM 1409 O SER A 96 -10.784 -13.277 1.652 1.00 0.00 O ATOM 1410 CB SER A 96 -10.415 -11.992 4.729 1.00 0.00 C ATOM 1411 OG SER A 96 -10.062 -12.565 5.976 1.00 0.00 O ATOM 0 H SER A 96 -8.236 -10.950 3.682 1.00 0.00 H new ATOM 0 HA SER A 96 -9.449 -13.643 3.750 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.283 -10.911 4.772 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.470 -12.177 4.526 1.00 0.00 H new ATOM 0 HG SER A 96 -10.619 -12.178 6.683 1.00 0.00 H new ATOM 1417 N PHE A 97 -10.255 -11.095 1.801 1.00 0.00 N ATOM 1418 CA PHE A 97 -10.885 -10.744 0.533 1.00 0.00 C ATOM 1419 C PHE A 97 -10.748 -11.880 -0.475 1.00 0.00 C ATOM 1420 O PHE A 97 -11.670 -12.159 -1.243 1.00 0.00 O ATOM 1421 CB PHE A 97 -10.262 -9.466 -0.033 1.00 0.00 C ATOM 1422 CG PHE A 97 -11.059 -8.856 -1.151 1.00 0.00 C ATOM 1423 CD1 PHE A 97 -11.080 -9.445 -2.405 1.00 0.00 C ATOM 1424 CD2 PHE A 97 -11.784 -7.694 -0.948 1.00 0.00 C ATOM 1425 CE1 PHE A 97 -11.812 -8.885 -3.436 1.00 0.00 C ATOM 1426 CE2 PHE A 97 -12.518 -7.129 -1.975 1.00 0.00 C ATOM 1427 CZ PHE A 97 -12.532 -7.726 -3.220 1.00 0.00 C ATOM 0 H PHE A 97 -9.824 -10.310 2.289 1.00 0.00 H new ATOM 0 HA PHE A 97 -11.945 -10.572 0.718 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -10.158 -8.736 0.769 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.258 -9.689 -0.393 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -10.519 -10.351 -2.579 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -11.776 -7.223 0.024 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -11.821 -9.353 -4.409 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -13.079 -6.222 -1.804 1.00 0.00 H new ATOM 0 HZ PHE A 97 -13.105 -7.288 -4.024 1.00 0.00 H new ATOM 1437 N PHE A 98 -9.590 -12.532 -0.469 1.00 0.00 N ATOM 1438 CA PHE A 98 -9.330 -13.637 -1.384 1.00 0.00 C ATOM 1439 C PHE A 98 -10.221 -14.833 -1.060 1.00 0.00 C ATOM 1440 O PHE A 98 -10.922 -15.354 -1.929 1.00 0.00 O ATOM 1441 CB PHE A 98 -7.859 -14.050 -1.314 1.00 0.00 C ATOM 1442 CG PHE A 98 -6.960 -13.213 -2.180 1.00 0.00 C ATOM 1443 CD1 PHE A 98 -6.779 -13.525 -3.518 1.00 0.00 C ATOM 1444 CD2 PHE A 98 -6.297 -12.116 -1.656 1.00 0.00 C ATOM 1445 CE1 PHE A 98 -5.952 -12.757 -4.317 1.00 0.00 C ATOM 1446 CE2 PHE A 98 -5.470 -11.345 -2.450 1.00 0.00 C ATOM 1447 CZ PHE A 98 -5.296 -11.666 -3.782 1.00 0.00 C ATOM 0 H PHE A 98 -8.817 -12.314 0.159 1.00 0.00 H new ATOM 0 HA PHE A 98 -9.558 -13.299 -2.395 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -7.520 -13.983 -0.280 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -7.768 -15.094 -1.612 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -7.289 -14.377 -3.941 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.428 -11.860 -0.615 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -5.819 -13.010 -5.358 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.960 -10.491 -2.029 1.00 0.00 H new ATOM 0 HZ PHE A 98 -4.649 -11.065 -4.404 1.00 0.00 H new ATOM 1457 N HIS A 99 -10.189 -15.264 0.197 1.00 0.00 N ATOM 1458 CA HIS A 99 -10.993 -16.398 0.637 1.00 0.00 C ATOM 1459 C HIS A 99 -12.479 -16.055 0.609 1.00 0.00 C ATOM 1460 O HIS A 99 -13.279 -16.769 0.006 1.00 0.00 O ATOM 1461 CB HIS A 99 -10.583 -16.825 2.047 1.00 0.00 C ATOM 1462 CG HIS A 99 -10.882 -18.261 2.349 1.00 0.00 C ATOM 1463 ND1 HIS A 99 -10.201 -18.988 3.302 1.00 0.00 N ATOM 1464 CD2 HIS A 99 -11.799 -19.104 1.821 1.00 0.00 C ATOM 1465 CE1 HIS A 99 -10.683 -20.217 3.344 1.00 0.00 C ATOM 1466 NE2 HIS A 99 -11.654 -20.314 2.455 1.00 0.00 N ATOM 0 H HIS A 99 -9.615 -14.845 0.929 1.00 0.00 H new ATOM 0 HA HIS A 99 -10.816 -17.225 -0.051 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.515 -16.650 2.174 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -11.098 -16.195 2.773 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -12.513 -18.869 1.045 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -10.341 -21.008 3.995 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -12.207 -21.151 2.269 1.00 0.00 H new ATOM 1474 N GLN A 100 -12.840 -14.957 1.266 1.00 0.00 N ATOM 1475 CA GLN A 100 -14.230 -14.520 1.317 1.00 0.00 C ATOM 1476 C GLN A 100 -14.874 -14.593 -0.063 1.00 0.00 C ATOM 1477 O GLN A 100 -16.003 -15.064 -0.209 1.00 0.00 O ATOM 1478 CB GLN A 100 -14.319 -13.093 1.860 1.00 0.00 C ATOM 1479 CG GLN A 100 -14.070 -12.025 0.808 1.00 0.00 C ATOM 1480 CD GLN A 100 -14.179 -10.619 1.365 1.00 0.00 C ATOM 1481 OE1 GLN A 100 -14.073 -10.409 2.574 1.00 0.00 O ATOM 1482 NE2 GLN A 100 -14.390 -9.648 0.486 1.00 0.00 N ATOM 0 H GLN A 100 -12.189 -14.354 1.770 1.00 0.00 H new ATOM 0 HA GLN A 100 -14.771 -15.189 1.986 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.307 -12.940 2.295 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.594 -12.974 2.665 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -13.077 -12.166 0.381 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.787 -12.146 -0.004 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -14.471 -9.868 -0.507 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -14.471 -8.682 0.803 1.00 0.00 H new ATOM 1491 N HIS A 101 -14.151 -14.123 -1.074 1.00 0.00 N ATOM 1492 CA HIS A 101 -14.652 -14.134 -2.444 1.00 0.00 C ATOM 1493 C HIS A 101 -14.907 -15.563 -2.916 1.00 0.00 C ATOM 1494 O HIS A 101 -16.027 -15.914 -3.283 1.00 0.00 O ATOM 1495 CB HIS A 101 -13.657 -13.446 -3.379 1.00 0.00 C ATOM 1496 CG HIS A 101 -13.932 -13.691 -4.831 1.00 0.00 C ATOM 1497 ND1 HIS A 101 -14.594 -12.788 -5.634 1.00 0.00 N ATOM 1498 CD2 HIS A 101 -13.628 -14.746 -5.624 1.00 0.00 C ATOM 1499 CE1 HIS A 101 -14.687 -13.277 -6.859 1.00 0.00 C ATOM 1500 NE2 HIS A 101 -14.108 -14.463 -6.879 1.00 0.00 N ATOM 0 H HIS A 101 -13.216 -13.729 -0.971 1.00 0.00 H new ATOM 0 HA HIS A 101 -15.595 -13.588 -2.465 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -13.676 -12.373 -3.190 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -12.651 -13.793 -3.145 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -13.105 -15.643 -5.325 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -15.157 -12.789 -7.700 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -14.030 -15.071 -7.694 1.00 0.00 H new ATOM 1508 N GLY A 102 -13.860 -16.381 -2.906 1.00 0.00 N ATOM 1509 CA GLY A 102 -13.991 -17.761 -3.336 1.00 0.00 C ATOM 1510 C GLY A 102 -12.882 -18.182 -4.279 1.00 0.00 C ATOM 1511 O GLY A 102 -13.130 -18.856 -5.280 1.00 0.00 O ATOM 0 H GLY A 102 -12.922 -16.113 -2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.988 -18.412 -2.462 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.954 -17.895 -3.829 1.00 0.00 H new ATOM 1515 N CYS A 103 -11.655 -17.785 -3.961 1.00 0.00 N ATOM 1516 CA CYS A 103 -10.502 -18.124 -4.788 1.00 0.00 C ATOM 1517 C CYS A 103 -9.465 -18.900 -3.983 1.00 0.00 C ATOM 1518 O CYS A 103 -8.633 -18.312 -3.293 1.00 0.00 O ATOM 1519 CB CYS A 103 -9.872 -16.856 -5.366 1.00 0.00 C ATOM 1520 SG CYS A 103 -8.346 -17.146 -6.290 1.00 0.00 S ATOM 0 H CYS A 103 -11.433 -17.228 -3.136 1.00 0.00 H new ATOM 0 HA CYS A 103 -10.847 -18.755 -5.607 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -10.595 -16.371 -6.022 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -9.665 -16.162 -4.551 1.00 0.00 H new ATOM 0 HG CYS A 103 -7.520 -17.833 -5.558 1.00 0.00 H new ATOM 1526 N SER A 104 -9.523 -20.225 -4.075 1.00 0.00 N ATOM 1527 CA SER A 104 -8.591 -21.083 -3.352 1.00 0.00 C ATOM 1528 C SER A 104 -7.425 -21.496 -4.245 1.00 0.00 C ATOM 1529 O SER A 104 -7.411 -22.595 -4.799 1.00 0.00 O ATOM 1530 CB SER A 104 -9.312 -22.327 -2.828 1.00 0.00 C ATOM 1531 OG SER A 104 -9.916 -23.050 -3.886 1.00 0.00 O ATOM 0 H SER A 104 -10.205 -20.728 -4.643 1.00 0.00 H new ATOM 0 HA SER A 104 -8.196 -20.517 -2.508 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.603 -22.968 -2.304 1.00 0.00 H new ATOM 0 HB3 SER A 104 -10.072 -22.033 -2.104 1.00 0.00 H new ATOM 0 HG SER A 104 -9.265 -23.180 -4.607 1.00 0.00 H new ATOM 1537 N THR A 105 -6.448 -20.605 -4.381 1.00 0.00 N ATOM 1538 CA THR A 105 -5.279 -20.873 -5.208 1.00 0.00 C ATOM 1539 C THR A 105 -4.007 -20.355 -4.546 1.00 0.00 C ATOM 1540 O THR A 105 -3.973 -19.237 -4.035 1.00 0.00 O ATOM 1541 CB THR A 105 -5.416 -20.232 -6.602 1.00 0.00 C ATOM 1542 OG1 THR A 105 -6.607 -20.703 -7.243 1.00 0.00 O ATOM 1543 CG2 THR A 105 -4.207 -20.554 -7.467 1.00 0.00 C ATOM 0 H THR A 105 -6.444 -19.691 -3.928 1.00 0.00 H new ATOM 0 HA THR A 105 -5.213 -21.955 -5.320 1.00 0.00 H new ATOM 0 HB THR A 105 -5.475 -19.151 -6.476 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.688 -20.290 -8.128 1.00 0.00 H new ATOM 0 HG21 THR A 105 -4.327 -20.091 -8.446 1.00 0.00 H new ATOM 0 HG22 THR A 105 -3.306 -20.168 -6.991 1.00 0.00 H new ATOM 0 HG23 THR A 105 -4.121 -21.634 -7.585 1.00 0.00 H new ATOM 1551 N ASN A 106 -2.962 -21.176 -4.560 1.00 0.00 N ATOM 1552 CA ASN A 106 -1.686 -20.800 -3.961 1.00 0.00 C ATOM 1553 C ASN A 106 -0.774 -20.141 -4.991 1.00 0.00 C ATOM 1554 O ASN A 106 -0.175 -19.098 -4.728 1.00 0.00 O ATOM 1555 CB ASN A 106 -0.996 -22.030 -3.365 1.00 0.00 C ATOM 1556 CG ASN A 106 0.235 -21.666 -2.558 1.00 0.00 C ATOM 1557 OD1 ASN A 106 1.361 -21.760 -3.049 1.00 0.00 O ATOM 1558 ND2 ASN A 106 0.027 -21.251 -1.314 1.00 0.00 N ATOM 0 H ASN A 106 -2.973 -22.106 -4.979 1.00 0.00 H new ATOM 0 HA ASN A 106 -1.885 -20.082 -3.166 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -1.700 -22.565 -2.728 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -0.713 -22.710 -4.169 1.00 0.00 H new ATOM 0 HD21 ASN A 106 0.818 -20.994 -0.723 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -0.924 -21.189 -0.949 1.00 0.00 H new ATOM 1565 N ASP A 107 -0.674 -20.756 -6.164 1.00 0.00 N ATOM 1566 CA ASP A 107 0.163 -20.229 -7.235 1.00 0.00 C ATOM 1567 C ASP A 107 0.119 -18.704 -7.259 1.00 0.00 C ATOM 1568 O ASP A 107 -0.953 -18.101 -7.194 1.00 0.00 O ATOM 1569 CB ASP A 107 -0.290 -20.785 -8.586 1.00 0.00 C ATOM 1570 CG ASP A 107 0.335 -22.131 -8.897 1.00 0.00 C ATOM 1571 OD1 ASP A 107 0.257 -23.033 -8.037 1.00 0.00 O ATOM 1572 OD2 ASP A 107 0.901 -22.282 -10.000 1.00 0.00 O ATOM 0 H ASP A 107 -1.162 -21.620 -6.397 1.00 0.00 H new ATOM 0 HA ASP A 107 1.190 -20.542 -7.047 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.376 -20.882 -8.590 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.030 -20.077 -9.373 1.00 0.00 H new ATOM 1577 N THR A 108 1.291 -18.084 -7.352 1.00 0.00 N ATOM 1578 CA THR A 108 1.388 -16.630 -7.382 1.00 0.00 C ATOM 1579 C THR A 108 0.982 -16.080 -8.744 1.00 0.00 C ATOM 1580 O THR A 108 0.338 -15.037 -8.836 1.00 0.00 O ATOM 1581 CB THR A 108 2.816 -16.155 -7.052 1.00 0.00 C ATOM 1582 OG1 THR A 108 3.190 -16.599 -5.743 1.00 0.00 O ATOM 1583 CG2 THR A 108 2.911 -14.639 -7.125 1.00 0.00 C ATOM 0 H THR A 108 2.188 -18.567 -7.408 1.00 0.00 H new ATOM 0 HA THR A 108 0.704 -16.252 -6.623 1.00 0.00 H new ATOM 0 HB THR A 108 3.497 -16.582 -7.788 1.00 0.00 H new ATOM 0 HG1 THR A 108 4.099 -16.294 -5.542 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.928 -14.326 -6.888 1.00 0.00 H new ATOM 0 HG22 THR A 108 2.654 -14.306 -8.131 1.00 0.00 H new ATOM 0 HG23 THR A 108 2.219 -14.196 -6.408 1.00 0.00 H new ATOM 1591 N ASN A 109 1.364 -16.791 -9.801 1.00 0.00 N ATOM 1592 CA ASN A 109 1.040 -16.372 -11.160 1.00 0.00 C ATOM 1593 C ASN A 109 -0.428 -16.643 -11.476 1.00 0.00 C ATOM 1594 O ASN A 109 -0.956 -16.161 -12.479 1.00 0.00 O ATOM 1595 CB ASN A 109 1.933 -17.101 -12.167 1.00 0.00 C ATOM 1596 CG ASN A 109 1.513 -16.847 -13.601 1.00 0.00 C ATOM 1597 OD1 ASN A 109 0.458 -17.303 -14.041 1.00 0.00 O ATOM 1598 ND2 ASN A 109 2.340 -16.116 -14.339 1.00 0.00 N ATOM 0 H ASN A 109 1.897 -17.658 -9.742 1.00 0.00 H new ATOM 0 HA ASN A 109 1.218 -15.299 -11.236 1.00 0.00 H new ATOM 0 HB2 ASN A 109 2.966 -16.780 -12.031 1.00 0.00 H new ATOM 0 HB3 ASN A 109 1.903 -18.172 -11.967 1.00 0.00 H new ATOM 0 HD21 ASN A 109 2.111 -15.912 -15.312 1.00 0.00 H new ATOM 0 HD22 ASN A 109 3.205 -15.758 -13.933 1.00 0.00 H new ATOM 1605 N ALA A 110 -1.081 -17.415 -10.615 1.00 0.00 N ATOM 1606 CA ALA A 110 -2.488 -17.748 -10.801 1.00 0.00 C ATOM 1607 C ALA A 110 -3.362 -17.029 -9.779 1.00 0.00 C ATOM 1608 O ALA A 110 -4.251 -16.258 -10.140 1.00 0.00 O ATOM 1609 CB ALA A 110 -2.691 -19.253 -10.706 1.00 0.00 C ATOM 0 H ALA A 110 -0.658 -17.822 -9.781 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.787 -17.414 -11.795 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.746 -19.487 -10.847 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -2.103 -19.749 -11.478 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.369 -19.602 -9.725 1.00 0.00 H new ATOM 1615 N LYS A 111 -3.103 -17.286 -8.501 1.00 0.00 N ATOM 1616 CA LYS A 111 -3.865 -16.663 -7.426 1.00 0.00 C ATOM 1617 C LYS A 111 -4.074 -15.177 -7.697 1.00 0.00 C ATOM 1618 O LYS A 111 -5.172 -14.650 -7.513 1.00 0.00 O ATOM 1619 CB LYS A 111 -3.147 -16.853 -6.088 1.00 0.00 C ATOM 1620 CG LYS A 111 -3.776 -16.075 -4.944 1.00 0.00 C ATOM 1621 CD LYS A 111 -2.751 -15.722 -3.880 1.00 0.00 C ATOM 1622 CE LYS A 111 -3.104 -14.420 -3.176 1.00 0.00 C ATOM 1623 NZ LYS A 111 -2.746 -13.231 -3.996 1.00 0.00 N ATOM 0 H LYS A 111 -2.371 -17.922 -8.185 1.00 0.00 H new ATOM 0 HA LYS A 111 -4.841 -17.146 -7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.142 -17.913 -5.835 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -2.107 -16.546 -6.197 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.230 -15.162 -5.330 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.576 -16.665 -4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -2.692 -16.528 -3.149 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -1.766 -15.634 -4.338 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -4.172 -14.403 -2.959 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -2.583 -14.372 -2.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -3.346 -12.427 -3.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -1.747 -12.988 -3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -2.894 -13.446 -5.003 1.00 0.00 H new ATOM 1637 N TYR A 112 -3.015 -14.506 -8.135 1.00 0.00 N ATOM 1638 CA TYR A 112 -3.082 -13.080 -8.431 1.00 0.00 C ATOM 1639 C TYR A 112 -3.752 -12.833 -9.780 1.00 0.00 C ATOM 1640 O TYR A 112 -4.397 -11.807 -9.987 1.00 0.00 O ATOM 1641 CB TYR A 112 -1.679 -12.470 -8.427 1.00 0.00 C ATOM 1642 CG TYR A 112 -1.162 -12.152 -7.043 1.00 0.00 C ATOM 1643 CD1 TYR A 112 -1.609 -11.032 -6.353 1.00 0.00 C ATOM 1644 CD2 TYR A 112 -0.223 -12.970 -6.426 1.00 0.00 C ATOM 1645 CE1 TYR A 112 -1.139 -10.738 -5.087 1.00 0.00 C ATOM 1646 CE2 TYR A 112 0.252 -12.684 -5.161 1.00 0.00 C ATOM 1647 CZ TYR A 112 -0.208 -11.566 -4.496 1.00 0.00 C ATOM 1648 OH TYR A 112 0.264 -11.277 -3.236 1.00 0.00 O ATOM 0 H TYR A 112 -2.099 -14.927 -8.293 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.681 -12.603 -7.656 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -0.990 -13.161 -8.913 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -1.687 -11.556 -9.022 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -2.336 -10.380 -6.814 1.00 0.00 H new ATOM 0 HD2 TYR A 112 0.142 -13.844 -6.945 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -1.499 -9.865 -4.563 1.00 0.00 H new ATOM 0 HE2 TYR A 112 0.980 -13.332 -4.695 1.00 0.00 H new ATOM 0 HH TYR A 112 0.718 -12.064 -2.868 1.00 0.00 H new ATOM 1658 N ASN A 113 -3.593 -13.786 -10.694 1.00 0.00 N ATOM 1659 CA ASN A 113 -4.182 -13.673 -12.024 1.00 0.00 C ATOM 1660 C ASN A 113 -5.635 -14.138 -12.016 1.00 0.00 C ATOM 1661 O ASN A 113 -6.184 -14.512 -13.053 1.00 0.00 O ATOM 1662 CB ASN A 113 -3.377 -14.496 -13.031 1.00 0.00 C ATOM 1663 CG ASN A 113 -2.178 -13.740 -13.570 1.00 0.00 C ATOM 1664 OD1 ASN A 113 -2.232 -13.159 -14.654 1.00 0.00 O ATOM 1665 ND2 ASN A 113 -1.088 -13.745 -12.812 1.00 0.00 N ATOM 0 H ASN A 113 -3.062 -14.643 -10.538 1.00 0.00 H new ATOM 0 HA ASN A 113 -4.156 -12.624 -12.319 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -3.039 -15.417 -12.556 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -4.024 -14.784 -13.860 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -0.249 -13.254 -13.121 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -1.089 -14.240 -11.920 1.00 0.00 H new ATOM 1672 N SER A 114 -6.253 -14.112 -10.839 1.00 0.00 N ATOM 1673 CA SER A 114 -7.642 -14.532 -10.695 1.00 0.00 C ATOM 1674 C SER A 114 -8.562 -13.326 -10.537 1.00 0.00 C ATOM 1675 O SER A 114 -8.104 -12.185 -10.487 1.00 0.00 O ATOM 1676 CB SER A 114 -7.791 -15.465 -9.492 1.00 0.00 C ATOM 1677 OG SER A 114 -7.954 -14.727 -8.293 1.00 0.00 O ATOM 0 H SER A 114 -5.813 -13.804 -9.971 1.00 0.00 H new ATOM 0 HA SER A 114 -7.930 -15.068 -11.599 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.650 -16.120 -9.640 1.00 0.00 H new ATOM 0 HB3 SER A 114 -6.912 -16.105 -9.413 1.00 0.00 H new ATOM 0 HG SER A 114 -8.093 -15.345 -7.545 1.00 0.00 H new ATOM 1683 N ARG A 115 -9.862 -13.588 -10.458 1.00 0.00 N ATOM 1684 CA ARG A 115 -10.848 -12.524 -10.305 1.00 0.00 C ATOM 1685 C ARG A 115 -10.760 -11.896 -8.918 1.00 0.00 C ATOM 1686 O ARG A 115 -10.623 -10.681 -8.784 1.00 0.00 O ATOM 1687 CB ARG A 115 -12.258 -13.069 -10.542 1.00 0.00 C ATOM 1688 CG ARG A 115 -13.332 -11.995 -10.551 1.00 0.00 C ATOM 1689 CD ARG A 115 -13.271 -11.157 -11.818 1.00 0.00 C ATOM 1690 NE ARG A 115 -13.514 -11.956 -13.016 1.00 0.00 N ATOM 1691 CZ ARG A 115 -13.947 -11.447 -14.164 1.00 0.00 C ATOM 1692 NH1 ARG A 115 -14.184 -10.147 -14.269 1.00 0.00 N ATOM 1693 NH2 ARG A 115 -14.146 -12.241 -15.210 1.00 0.00 N ATOM 0 H ARG A 115 -10.258 -14.527 -10.497 1.00 0.00 H new ATOM 0 HA ARG A 115 -10.634 -11.755 -11.047 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -12.278 -13.599 -11.494 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -12.492 -13.798 -9.766 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -14.314 -12.460 -10.468 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -13.210 -11.350 -9.681 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -14.010 -10.358 -11.760 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -12.293 -10.682 -11.892 1.00 0.00 H new ATOM 0 HE ARG A 115 -13.342 -12.960 -12.969 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -14.034 -9.535 -13.467 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -14.516 -9.759 -15.152 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -13.966 -13.242 -15.132 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -14.479 -11.850 -16.091 1.00 0.00 H new ATOM 1707 N ALA A 116 -10.840 -12.733 -7.888 1.00 0.00 N ATOM 1708 CA ALA A 116 -10.768 -12.259 -6.512 1.00 0.00 C ATOM 1709 C ALA A 116 -9.630 -11.259 -6.335 1.00 0.00 C ATOM 1710 O ALA A 116 -9.769 -10.268 -5.617 1.00 0.00 O ATOM 1711 CB ALA A 116 -10.594 -13.433 -5.559 1.00 0.00 C ATOM 0 H ALA A 116 -10.955 -13.742 -7.981 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.703 -11.750 -6.279 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -10.542 -13.065 -4.534 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -11.442 -14.111 -5.658 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -9.674 -13.965 -5.801 1.00 0.00 H new ATOM 1717 N ALA A 117 -8.506 -11.525 -6.991 1.00 0.00 N ATOM 1718 CA ALA A 117 -7.346 -10.647 -6.907 1.00 0.00 C ATOM 1719 C ALA A 117 -7.638 -9.289 -7.538 1.00 0.00 C ATOM 1720 O ALA A 117 -7.430 -8.249 -6.915 1.00 0.00 O ATOM 1721 CB ALA A 117 -6.143 -11.295 -7.576 1.00 0.00 C ATOM 0 H ALA A 117 -8.374 -12.342 -7.587 1.00 0.00 H new ATOM 0 HA ALA A 117 -7.118 -10.487 -5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -5.284 -10.628 -7.505 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -5.913 -12.237 -7.077 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -6.369 -11.486 -8.625 1.00 0.00 H new ATOM 1727 N GLN A 118 -8.118 -9.310 -8.776 1.00 0.00 N ATOM 1728 CA GLN A 118 -8.435 -8.079 -9.492 1.00 0.00 C ATOM 1729 C GLN A 118 -9.416 -7.224 -8.696 1.00 0.00 C ATOM 1730 O GLN A 118 -9.107 -6.093 -8.320 1.00 0.00 O ATOM 1731 CB GLN A 118 -9.023 -8.401 -10.868 1.00 0.00 C ATOM 1732 CG GLN A 118 -8.103 -9.242 -11.739 1.00 0.00 C ATOM 1733 CD GLN A 118 -8.270 -8.948 -13.217 1.00 0.00 C ATOM 1734 OE1 GLN A 118 -8.661 -7.846 -13.602 1.00 0.00 O ATOM 1735 NE2 GLN A 118 -7.975 -9.935 -14.054 1.00 0.00 N ATOM 0 H GLN A 118 -8.296 -10.164 -9.304 1.00 0.00 H new ATOM 0 HA GLN A 118 -7.511 -7.516 -9.622 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -9.968 -8.928 -10.736 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -9.248 -7.468 -11.385 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -7.068 -9.059 -11.451 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -8.302 -10.298 -11.558 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.654 -10.833 -13.691 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -8.069 -9.796 -15.060 1.00 0.00 H new ATOM 1744 N LEU A 119 -10.599 -7.772 -8.442 1.00 0.00 N ATOM 1745 CA LEU A 119 -11.627 -7.060 -7.690 1.00 0.00 C ATOM 1746 C LEU A 119 -11.005 -6.232 -6.569 1.00 0.00 C ATOM 1747 O LEU A 119 -11.399 -5.089 -6.336 1.00 0.00 O ATOM 1748 CB LEU A 119 -12.638 -8.048 -7.107 1.00 0.00 C ATOM 1749 CG LEU A 119 -13.330 -8.971 -8.112 1.00 0.00 C ATOM 1750 CD1 LEU A 119 -14.147 -10.030 -7.390 1.00 0.00 C ATOM 1751 CD2 LEU A 119 -14.211 -8.166 -9.056 1.00 0.00 C ATOM 0 H LEU A 119 -10.871 -8.707 -8.746 1.00 0.00 H new ATOM 0 HA LEU A 119 -12.141 -6.385 -8.375 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -12.128 -8.666 -6.368 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -13.404 -7.483 -6.576 1.00 0.00 H new ATOM 0 HG LEU A 119 -12.564 -9.474 -8.702 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -14.632 -10.677 -8.121 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -13.491 -10.627 -6.756 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -14.905 -9.547 -6.774 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -14.695 -8.839 -9.764 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -14.970 -7.636 -8.481 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -13.599 -7.446 -9.600 1.00 0.00 H new ATOM 1763 N TYR A 120 -10.031 -6.815 -5.880 1.00 0.00 N ATOM 1764 CA TYR A 120 -9.354 -6.132 -4.785 1.00 0.00 C ATOM 1765 C TYR A 120 -8.650 -4.873 -5.279 1.00 0.00 C ATOM 1766 O TYR A 120 -9.012 -3.757 -4.906 1.00 0.00 O ATOM 1767 CB TYR A 120 -8.344 -7.067 -4.118 1.00 0.00 C ATOM 1768 CG TYR A 120 -7.714 -6.488 -2.871 1.00 0.00 C ATOM 1769 CD1 TYR A 120 -8.313 -6.651 -1.628 1.00 0.00 C ATOM 1770 CD2 TYR A 120 -6.521 -5.779 -2.936 1.00 0.00 C ATOM 1771 CE1 TYR A 120 -7.741 -6.124 -0.485 1.00 0.00 C ATOM 1772 CE2 TYR A 120 -5.942 -5.250 -1.799 1.00 0.00 C ATOM 1773 CZ TYR A 120 -6.556 -5.424 -0.577 1.00 0.00 C ATOM 1774 OH TYR A 120 -5.982 -4.898 0.558 1.00 0.00 O ATOM 0 H TYR A 120 -9.692 -7.760 -6.061 1.00 0.00 H new ATOM 0 HA TYR A 120 -10.107 -5.841 -4.053 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -8.841 -8.003 -3.863 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -7.558 -7.309 -4.833 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -9.241 -7.199 -1.553 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -6.038 -5.639 -3.892 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -8.219 -6.260 0.474 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -5.013 -4.703 -1.867 1.00 0.00 H new ATOM 0 HH TYR A 120 -5.151 -4.436 0.320 1.00 0.00 H new ATOM 1784 N ARG A 121 -7.640 -5.060 -6.123 1.00 0.00 N ATOM 1785 CA ARG A 121 -6.883 -3.942 -6.670 1.00 0.00 C ATOM 1786 C ARG A 121 -7.787 -2.735 -6.905 1.00 0.00 C ATOM 1787 O ARG A 121 -7.618 -1.689 -6.280 1.00 0.00 O ATOM 1788 CB ARG A 121 -6.206 -4.348 -7.981 1.00 0.00 C ATOM 1789 CG ARG A 121 -5.469 -5.675 -7.899 1.00 0.00 C ATOM 1790 CD ARG A 121 -4.696 -5.962 -9.177 1.00 0.00 C ATOM 1791 NE ARG A 121 -5.492 -5.692 -10.371 1.00 0.00 N ATOM 1792 CZ ARG A 121 -4.966 -5.401 -11.556 1.00 0.00 C ATOM 1793 NH1 ARG A 121 -3.650 -5.342 -11.702 1.00 0.00 N ATOM 1794 NH2 ARG A 121 -5.756 -5.168 -12.596 1.00 0.00 N ATOM 0 H ARG A 121 -7.327 -5.977 -6.443 1.00 0.00 H new ATOM 0 HA ARG A 121 -6.118 -3.666 -5.944 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -6.960 -4.408 -8.766 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -5.503 -3.569 -8.274 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -4.782 -5.660 -7.053 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -6.183 -6.478 -7.716 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -3.792 -5.353 -9.198 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -4.378 -7.005 -9.182 1.00 0.00 H new ATOM 0 HE ARG A 121 -6.508 -5.729 -10.291 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -3.040 -5.520 -10.904 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -3.247 -5.119 -12.612 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -6.769 -5.212 -12.487 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -5.350 -4.945 -13.505 1.00 0.00 H new ATOM 1808 N GLU A 122 -8.749 -2.891 -7.810 1.00 0.00 N ATOM 1809 CA GLU A 122 -9.679 -1.814 -8.129 1.00 0.00 C ATOM 1810 C GLU A 122 -10.194 -1.147 -6.857 1.00 0.00 C ATOM 1811 O GLU A 122 -10.112 0.072 -6.705 1.00 0.00 O ATOM 1812 CB GLU A 122 -10.856 -2.352 -8.947 1.00 0.00 C ATOM 1813 CG GLU A 122 -10.497 -2.678 -10.387 1.00 0.00 C ATOM 1814 CD GLU A 122 -10.535 -1.460 -11.289 1.00 0.00 C ATOM 1815 OE1 GLU A 122 -9.519 -0.735 -11.351 1.00 0.00 O ATOM 1816 OE2 GLU A 122 -11.580 -1.231 -11.931 1.00 0.00 O ATOM 0 H GLU A 122 -8.904 -3.752 -8.334 1.00 0.00 H new ATOM 0 HA GLU A 122 -9.145 -1.070 -8.720 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -11.242 -3.250 -8.465 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -11.660 -1.616 -8.939 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -9.500 -3.117 -10.418 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -11.188 -3.429 -10.768 1.00 0.00 H new ATOM 1823 N LYS A 123 -10.725 -1.953 -5.945 1.00 0.00 N ATOM 1824 CA LYS A 123 -11.253 -1.444 -4.685 1.00 0.00 C ATOM 1825 C LYS A 123 -10.279 -0.457 -4.047 1.00 0.00 C ATOM 1826 O LYS A 123 -10.671 0.635 -3.632 1.00 0.00 O ATOM 1827 CB LYS A 123 -11.531 -2.599 -3.720 1.00 0.00 C ATOM 1828 CG LYS A 123 -12.128 -2.153 -2.396 1.00 0.00 C ATOM 1829 CD LYS A 123 -12.878 -3.285 -1.715 1.00 0.00 C ATOM 1830 CE LYS A 123 -14.317 -3.372 -2.200 1.00 0.00 C ATOM 1831 NZ LYS A 123 -15.142 -4.260 -1.334 1.00 0.00 N ATOM 0 H LYS A 123 -10.801 -2.964 -6.055 1.00 0.00 H new ATOM 0 HA LYS A 123 -12.187 -0.923 -4.895 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -12.211 -3.304 -4.197 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -10.601 -3.134 -3.528 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -11.335 -1.794 -1.740 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -12.805 -1.316 -2.565 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -12.369 -4.229 -1.910 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -12.865 -3.134 -0.636 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -14.755 -2.374 -2.218 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -14.333 -3.746 -3.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -16.043 -4.470 -1.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -14.629 -5.147 -1.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -15.332 -3.784 -0.429 1.00 0.00 H new ATOM 1845 N ILE A 124 -9.012 -0.847 -3.973 1.00 0.00 N ATOM 1846 CA ILE A 124 -7.983 0.005 -3.389 1.00 0.00 C ATOM 1847 C ILE A 124 -7.987 1.388 -4.029 1.00 0.00 C ATOM 1848 O ILE A 124 -7.832 2.401 -3.345 1.00 0.00 O ATOM 1849 CB ILE A 124 -6.583 -0.617 -3.544 1.00 0.00 C ATOM 1850 CG1 ILE A 124 -6.489 -1.923 -2.753 1.00 0.00 C ATOM 1851 CG2 ILE A 124 -5.514 0.364 -3.086 1.00 0.00 C ATOM 1852 CD1 ILE A 124 -6.698 -1.744 -1.266 1.00 0.00 C ATOM 0 H ILE A 124 -8.672 -1.748 -4.310 1.00 0.00 H new ATOM 0 HA ILE A 124 -8.214 0.098 -2.328 1.00 0.00 H new ATOM 0 HB ILE A 124 -6.417 -0.841 -4.598 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -7.232 -2.624 -3.134 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -5.510 -2.372 -2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -4.530 -0.090 -3.202 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -5.569 1.270 -3.690 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -5.676 0.616 -2.038 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -6.618 -2.710 -0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -5.940 -1.068 -0.871 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -7.688 -1.324 -1.086 1.00 0.00 H new ATOM 1864 N LYS A 125 -8.167 1.426 -5.344 1.00 0.00 N ATOM 1865 CA LYS A 125 -8.195 2.686 -6.078 1.00 0.00 C ATOM 1866 C LYS A 125 -9.374 3.547 -5.635 1.00 0.00 C ATOM 1867 O LYS A 125 -9.252 4.766 -5.510 1.00 0.00 O ATOM 1868 CB LYS A 125 -8.279 2.422 -7.583 1.00 0.00 C ATOM 1869 CG LYS A 125 -8.664 3.647 -8.394 1.00 0.00 C ATOM 1870 CD LYS A 125 -9.132 3.266 -9.789 1.00 0.00 C ATOM 1871 CE LYS A 125 -10.533 2.677 -9.766 1.00 0.00 C ATOM 1872 NZ LYS A 125 -11.106 2.551 -11.136 1.00 0.00 N ATOM 0 H LYS A 125 -8.296 0.598 -5.925 1.00 0.00 H new ATOM 0 HA LYS A 125 -7.272 3.225 -5.861 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -7.315 2.053 -7.933 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -9.008 1.632 -7.765 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -9.456 4.191 -7.879 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -7.810 4.320 -8.467 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -9.117 4.146 -10.432 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -8.440 2.544 -10.221 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -10.506 1.696 -9.292 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -11.182 3.307 -9.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -12.062 2.146 -11.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -11.155 3.490 -11.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -10.501 1.929 -11.709 1.00 0.00 H new ATOM 1886 N SER A 126 -10.514 2.905 -5.399 1.00 0.00 N ATOM 1887 CA SER A 126 -11.715 3.613 -4.973 1.00 0.00 C ATOM 1888 C SER A 126 -11.548 4.166 -3.561 1.00 0.00 C ATOM 1889 O SER A 126 -11.678 5.370 -3.334 1.00 0.00 O ATOM 1890 CB SER A 126 -12.928 2.682 -5.028 1.00 0.00 C ATOM 1891 OG SER A 126 -14.056 3.276 -4.409 1.00 0.00 O ATOM 0 H SER A 126 -10.631 1.896 -5.496 1.00 0.00 H new ATOM 0 HA SER A 126 -11.875 4.448 -5.655 1.00 0.00 H new ATOM 0 HB2 SER A 126 -13.162 2.445 -6.066 1.00 0.00 H new ATOM 0 HB3 SER A 126 -12.691 1.741 -4.532 1.00 0.00 H new ATOM 0 HG SER A 126 -14.818 2.662 -4.459 1.00 0.00 H new ATOM 1897 N LEU A 127 -11.259 3.279 -2.615 1.00 0.00 N ATOM 1898 CA LEU A 127 -11.074 3.677 -1.224 1.00 0.00 C ATOM 1899 C LEU A 127 -9.952 4.703 -1.096 1.00 0.00 C ATOM 1900 O LEU A 127 -10.083 5.693 -0.378 1.00 0.00 O ATOM 1901 CB LEU A 127 -10.762 2.453 -0.361 1.00 0.00 C ATOM 1902 CG LEU A 127 -11.744 1.287 -0.470 1.00 0.00 C ATOM 1903 CD1 LEU A 127 -11.123 0.012 0.081 1.00 0.00 C ATOM 1904 CD2 LEU A 127 -13.039 1.610 0.260 1.00 0.00 C ATOM 0 H LEU A 127 -11.148 2.280 -2.786 1.00 0.00 H new ATOM 0 HA LEU A 127 -12.000 4.134 -0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -9.768 2.091 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -10.719 2.770 0.681 1.00 0.00 H new ATOM 0 HG LEU A 127 -11.974 1.129 -1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -11.837 -0.807 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -10.224 -0.229 -0.486 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -10.863 0.158 1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -13.726 0.768 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -12.827 1.796 1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -13.494 2.497 -0.181 1.00 0.00 H new ATOM 1916 N ALA A 128 -8.851 4.460 -1.800 1.00 0.00 N ATOM 1917 CA ALA A 128 -7.709 5.364 -1.768 1.00 0.00 C ATOM 1918 C ALA A 128 -8.139 6.801 -2.044 1.00 0.00 C ATOM 1919 O ALA A 128 -7.709 7.730 -1.360 1.00 0.00 O ATOM 1920 CB ALA A 128 -6.658 4.923 -2.775 1.00 0.00 C ATOM 0 H ALA A 128 -8.726 3.644 -2.399 1.00 0.00 H new ATOM 0 HA ALA A 128 -7.276 5.327 -0.768 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -5.811 5.608 -2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -6.321 3.916 -2.531 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -7.088 4.929 -3.776 1.00 0.00 H new ATOM 1926 N SER A 129 -8.989 6.977 -3.051 1.00 0.00 N ATOM 1927 CA SER A 129 -9.473 8.301 -3.421 1.00 0.00 C ATOM 1928 C SER A 129 -10.086 9.011 -2.217 1.00 0.00 C ATOM 1929 O SER A 129 -9.864 10.203 -2.008 1.00 0.00 O ATOM 1930 CB SER A 129 -10.505 8.194 -4.545 1.00 0.00 C ATOM 1931 OG SER A 129 -11.738 7.691 -4.059 1.00 0.00 O ATOM 0 H SER A 129 -9.357 6.218 -3.625 1.00 0.00 H new ATOM 0 HA SER A 129 -8.624 8.887 -3.772 1.00 0.00 H new ATOM 0 HB2 SER A 129 -10.661 9.175 -4.995 1.00 0.00 H new ATOM 0 HB3 SER A 129 -10.126 7.540 -5.330 1.00 0.00 H new ATOM 0 HG SER A 129 -11.698 6.713 -4.017 1.00 0.00 H new ATOM 1937 N GLN A 130 -10.859 8.268 -1.431 1.00 0.00 N ATOM 1938 CA GLN A 130 -11.505 8.826 -0.249 1.00 0.00 C ATOM 1939 C GLN A 130 -10.487 9.520 0.651 1.00 0.00 C ATOM 1940 O GLN A 130 -10.423 10.746 0.702 1.00 0.00 O ATOM 1941 CB GLN A 130 -12.228 7.726 0.531 1.00 0.00 C ATOM 1942 CG GLN A 130 -13.436 7.160 -0.197 1.00 0.00 C ATOM 1943 CD GLN A 130 -14.480 8.215 -0.506 1.00 0.00 C ATOM 1944 OE1 GLN A 130 -15.451 8.379 0.234 1.00 0.00 O ATOM 1945 NE2 GLN A 130 -14.284 8.938 -1.601 1.00 0.00 N ATOM 0 H GLN A 130 -11.053 7.279 -1.591 1.00 0.00 H new ATOM 0 HA GLN A 130 -12.234 9.566 -0.579 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -11.527 6.918 0.738 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -12.548 8.125 1.494 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -13.109 6.695 -1.127 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -13.887 6.376 0.411 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -13.465 8.768 -2.185 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -14.952 9.664 -1.859 1.00 0.00 H new ATOM 1954 N ALA A 131 -9.695 8.723 1.362 1.00 0.00 N ATOM 1955 CA ALA A 131 -8.679 9.260 2.259 1.00 0.00 C ATOM 1956 C ALA A 131 -7.838 10.325 1.564 1.00 0.00 C ATOM 1957 O ALA A 131 -7.553 11.377 2.134 1.00 0.00 O ATOM 1958 CB ALA A 131 -7.791 8.140 2.782 1.00 0.00 C ATOM 0 H ALA A 131 -9.738 7.704 1.334 1.00 0.00 H new ATOM 0 HA ALA A 131 -9.186 9.730 3.102 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -7.037 8.556 3.450 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -8.399 7.417 3.326 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -7.300 7.644 1.945 1.00 0.00 H new ATOM 1964 N THR A 132 -7.443 10.043 0.326 1.00 0.00 N ATOM 1965 CA THR A 132 -6.632 10.974 -0.448 1.00 0.00 C ATOM 1966 C THR A 132 -7.375 12.284 -0.685 1.00 0.00 C ATOM 1967 O THR A 132 -7.079 13.300 -0.057 1.00 0.00 O ATOM 1968 CB THR A 132 -6.227 10.373 -1.807 1.00 0.00 C ATOM 1969 OG1 THR A 132 -5.502 9.155 -1.608 1.00 0.00 O ATOM 1970 CG2 THR A 132 -5.376 11.353 -2.600 1.00 0.00 C ATOM 0 H THR A 132 -7.672 9.177 -0.162 1.00 0.00 H new ATOM 0 HA THR A 132 -5.732 11.170 0.136 1.00 0.00 H new ATOM 0 HB THR A 132 -7.135 10.165 -2.373 1.00 0.00 H new ATOM 0 HG1 THR A 132 -6.114 8.458 -1.293 1.00 0.00 H new ATOM 0 HG21 THR A 132 -5.102 10.906 -3.556 1.00 0.00 H new ATOM 0 HG22 THR A 132 -5.943 12.267 -2.776 1.00 0.00 H new ATOM 0 HG23 THR A 132 -4.473 11.588 -2.037 1.00 0.00 H new ATOM 1978 N ARG A 133 -8.344 12.252 -1.594 1.00 0.00 N ATOM 1979 CA ARG A 133 -9.130 13.438 -1.915 1.00 0.00 C ATOM 1980 C ARG A 133 -9.471 14.221 -0.651 1.00 0.00 C ATOM 1981 O ARG A 133 -9.220 15.424 -0.565 1.00 0.00 O ATOM 1982 CB ARG A 133 -10.414 13.043 -2.646 1.00 0.00 C ATOM 1983 CG ARG A 133 -11.117 14.211 -3.318 1.00 0.00 C ATOM 1984 CD ARG A 133 -11.920 13.757 -4.527 1.00 0.00 C ATOM 1985 NE ARG A 133 -11.147 13.848 -5.763 1.00 0.00 N ATOM 1986 CZ ARG A 133 -11.694 13.849 -6.973 1.00 0.00 C ATOM 1987 NH1 ARG A 133 -13.010 13.763 -7.109 1.00 0.00 N ATOM 1988 NH2 ARG A 133 -10.924 13.937 -8.051 1.00 0.00 N ATOM 0 H ARG A 133 -8.604 11.418 -2.121 1.00 0.00 H new ATOM 0 HA ARG A 133 -8.532 14.075 -2.566 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -10.177 12.291 -3.399 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -11.098 12.578 -1.936 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -11.779 14.699 -2.603 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -10.380 14.952 -3.627 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -12.247 12.728 -4.379 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -12.819 14.368 -4.616 1.00 0.00 H new ATOM 0 HE ARG A 133 -10.132 13.914 -5.693 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -13.605 13.696 -6.283 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -13.428 13.764 -8.040 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -9.911 14.004 -7.950 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -11.345 13.938 -8.980 1.00 0.00 H new ATOM 2002 N LYS A 134 -10.047 13.532 0.328 1.00 0.00 N ATOM 2003 CA LYS A 134 -10.423 14.162 1.589 1.00 0.00 C ATOM 2004 C LYS A 134 -9.293 15.040 2.117 1.00 0.00 C ATOM 2005 O LYS A 134 -8.116 14.702 1.984 1.00 0.00 O ATOM 2006 CB LYS A 134 -10.783 13.097 2.627 1.00 0.00 C ATOM 2007 CG LYS A 134 -11.736 13.592 3.702 1.00 0.00 C ATOM 2008 CD LYS A 134 -13.160 13.689 3.183 1.00 0.00 C ATOM 2009 CE LYS A 134 -13.819 12.320 3.104 1.00 0.00 C ATOM 2010 NZ LYS A 134 -14.243 11.831 4.445 1.00 0.00 N ATOM 0 H LYS A 134 -10.264 12.537 0.273 1.00 0.00 H new ATOM 0 HA LYS A 134 -11.294 14.792 1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -11.233 12.244 2.119 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -9.869 12.740 3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -11.705 12.916 4.557 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -11.410 14.570 4.057 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -13.743 14.338 3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -13.158 14.150 2.196 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -14.686 12.372 2.445 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -13.124 11.607 2.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -14.777 10.945 4.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -13.403 11.660 5.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -14.846 12.546 4.901 1.00 0.00 H new ATOM 2024 N HIS A 135 -9.658 16.168 2.718 1.00 0.00 N ATOM 2025 CA HIS A 135 -8.674 17.094 3.269 1.00 0.00 C ATOM 2026 C HIS A 135 -7.457 17.200 2.354 1.00 0.00 C ATOM 2027 O HIS A 135 -6.334 17.390 2.819 1.00 0.00 O ATOM 2028 CB HIS A 135 -8.241 16.641 4.663 1.00 0.00 C ATOM 2029 CG HIS A 135 -8.050 15.160 4.779 1.00 0.00 C ATOM 2030 ND1 HIS A 135 -8.909 14.344 5.483 1.00 0.00 N ATOM 2031 CD2 HIS A 135 -7.090 14.349 4.275 1.00 0.00 C ATOM 2032 CE1 HIS A 135 -8.487 13.094 5.407 1.00 0.00 C ATOM 2033 NE2 HIS A 135 -7.385 13.070 4.679 1.00 0.00 N ATOM 0 H HIS A 135 -10.627 16.463 2.836 1.00 0.00 H new ATOM 0 HA HIS A 135 -9.138 18.078 3.343 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -7.309 17.141 4.925 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -8.989 16.961 5.389 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -6.249 14.651 3.668 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -8.962 12.238 5.863 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -6.841 12.237 4.454 1.00 0.00 H new ATOM 2041 N GLY A 136 -7.689 17.077 1.051 1.00 0.00 N ATOM 2042 CA GLY A 136 -6.603 17.161 0.093 1.00 0.00 C ATOM 2043 C GLY A 136 -5.301 16.615 0.643 1.00 0.00 C ATOM 2044 O GLY A 136 -5.266 15.522 1.210 1.00 0.00 O ATOM 0 H GLY A 136 -8.610 16.921 0.642 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -6.873 16.609 -0.807 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -6.462 18.201 -0.201 1.00 0.00 H new ATOM 2048 N THR A 137 -4.224 17.377 0.476 1.00 0.00 N ATOM 2049 CA THR A 137 -2.912 16.962 0.958 1.00 0.00 C ATOM 2050 C THR A 137 -2.863 16.955 2.482 1.00 0.00 C ATOM 2051 O THR A 137 -2.223 16.096 3.088 1.00 0.00 O ATOM 2052 CB THR A 137 -1.801 17.885 0.424 1.00 0.00 C ATOM 2053 OG1 THR A 137 -2.091 19.247 0.759 1.00 0.00 O ATOM 2054 CG2 THR A 137 -1.660 17.747 -1.084 1.00 0.00 C ATOM 0 H THR A 137 -4.235 18.285 0.011 1.00 0.00 H new ATOM 0 HA THR A 137 -2.744 15.951 0.588 1.00 0.00 H new ATOM 0 HB THR A 137 -0.860 17.590 0.889 1.00 0.00 H new ATOM 0 HG1 THR A 137 -1.379 19.827 0.417 1.00 0.00 H new ATOM 0 HG21 THR A 137 -0.869 18.409 -1.438 1.00 0.00 H new ATOM 0 HG22 THR A 137 -1.409 16.716 -1.333 1.00 0.00 H new ATOM 0 HG23 THR A 137 -2.601 18.017 -1.564 1.00 0.00 H new ATOM 2062 N ASP A 138 -3.544 17.916 3.096 1.00 0.00 N ATOM 2063 CA ASP A 138 -3.580 18.019 4.550 1.00 0.00 C ATOM 2064 C ASP A 138 -3.599 16.636 5.192 1.00 0.00 C ATOM 2065 O ASP A 138 -4.609 15.932 5.146 1.00 0.00 O ATOM 2066 CB ASP A 138 -4.805 18.819 4.995 1.00 0.00 C ATOM 2067 CG ASP A 138 -4.835 19.045 6.494 1.00 0.00 C ATOM 2068 OD1 ASP A 138 -5.150 18.088 7.233 1.00 0.00 O ATOM 2069 OD2 ASP A 138 -4.543 20.178 6.929 1.00 0.00 O ATOM 0 H ASP A 138 -4.079 18.635 2.609 1.00 0.00 H new ATOM 0 HA ASP A 138 -2.679 18.538 4.876 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -4.811 19.782 4.485 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -5.710 18.292 4.692 1.00 0.00 H new ATOM 2074 N LEU A 139 -2.477 16.251 5.789 1.00 0.00 N ATOM 2075 CA LEU A 139 -2.364 14.951 6.441 1.00 0.00 C ATOM 2076 C LEU A 139 -3.386 14.814 7.564 1.00 0.00 C ATOM 2077 O LEU A 139 -3.263 15.453 8.610 1.00 0.00 O ATOM 2078 CB LEU A 139 -0.951 14.757 6.995 1.00 0.00 C ATOM 2079 CG LEU A 139 -0.411 13.327 6.973 1.00 0.00 C ATOM 2080 CD1 LEU A 139 -1.294 12.411 7.806 1.00 0.00 C ATOM 2081 CD2 LEU A 139 -0.311 12.817 5.542 1.00 0.00 C ATOM 0 H LEU A 139 -1.632 16.821 5.835 1.00 0.00 H new ATOM 0 HA LEU A 139 -2.565 14.180 5.697 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -0.270 15.390 6.426 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -0.934 15.114 8.025 1.00 0.00 H new ATOM 0 HG LEU A 139 0.588 13.329 7.408 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -0.895 11.397 7.779 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -1.316 12.765 8.837 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -2.306 12.413 7.400 1.00 0.00 H new ATOM 0 HD21 LEU A 139 0.075 11.798 5.545 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -1.299 12.829 5.081 1.00 0.00 H new ATOM 0 HD23 LEU A 139 0.362 13.458 4.973 1.00 0.00 H new ATOM 2093 N TRP A 140 -4.392 13.976 7.343 1.00 0.00 N ATOM 2094 CA TRP A 140 -5.434 13.754 8.339 1.00 0.00 C ATOM 2095 C TRP A 140 -4.831 13.321 9.670 1.00 0.00 C ATOM 2096 O TRP A 140 -5.193 13.843 10.726 1.00 0.00 O ATOM 2097 CB TRP A 140 -6.422 12.695 7.845 1.00 0.00 C ATOM 2098 CG TRP A 140 -6.009 11.295 8.178 1.00 0.00 C ATOM 2099 CD1 TRP A 140 -6.408 10.556 9.255 1.00 0.00 C ATOM 2100 CD2 TRP A 140 -5.113 10.465 7.430 1.00 0.00 C ATOM 2101 NE1 TRP A 140 -5.815 9.317 9.221 1.00 0.00 N ATOM 2102 CE2 TRP A 140 -5.016 9.236 8.112 1.00 0.00 C ATOM 2103 CE3 TRP A 140 -4.385 10.640 6.250 1.00 0.00 C ATOM 2104 CZ2 TRP A 140 -4.221 8.190 7.652 1.00 0.00 C ATOM 2105 CZ3 TRP A 140 -3.595 9.600 5.795 1.00 0.00 C ATOM 2106 CH2 TRP A 140 -3.519 8.389 6.494 1.00 0.00 C ATOM 0 H TRP A 140 -4.508 13.439 6.484 1.00 0.00 H new ATOM 0 HA TRP A 140 -5.964 14.694 8.490 1.00 0.00 H new ATOM 0 HB2 TRP A 140 -7.401 12.891 8.282 1.00 0.00 H new ATOM 0 HB3 TRP A 140 -6.531 12.786 6.764 1.00 0.00 H new ATOM 0 HD1 TRP A 140 -7.090 10.896 10.021 1.00 0.00 H new ATOM 0 HE1 TRP A 140 -5.948 8.577 9.910 1.00 0.00 H new ATOM 0 HE3 TRP A 140 -4.438 11.570 5.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 -4.160 7.255 8.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 -3.027 9.724 4.885 1.00 0.00 H new ATOM 0 HH2 TRP A 140 -2.894 7.596 6.112 1.00 0.00 H new ATOM 2117 N LEU A 141 -3.910 12.365 9.616 1.00 0.00 N ATOM 2118 CA LEU A 141 -3.257 11.863 10.819 1.00 0.00 C ATOM 2119 C LEU A 141 -2.495 12.976 11.530 1.00 0.00 C ATOM 2120 O LEU A 141 -1.328 13.232 11.234 1.00 0.00 O ATOM 2121 CB LEU A 141 -2.301 10.721 10.466 1.00 0.00 C ATOM 2122 CG LEU A 141 -2.843 9.305 10.669 1.00 0.00 C ATOM 2123 CD1 LEU A 141 -1.916 8.283 10.029 1.00 0.00 C ATOM 2124 CD2 LEU A 141 -3.023 9.011 12.151 1.00 0.00 C ATOM 0 H LEU A 141 -3.599 11.922 8.751 1.00 0.00 H new ATOM 0 HA LEU A 141 -4.029 11.489 11.492 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -2.007 10.830 9.422 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -1.397 10.832 11.065 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.817 9.235 10.185 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -2.317 7.281 10.183 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -1.838 8.482 8.960 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -0.928 8.352 10.484 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -3.409 8.000 12.277 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -2.062 9.098 12.659 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -3.727 9.724 12.581 1.00 0.00 H new ATOM 2136 N ASP A 142 -3.162 13.634 12.472 1.00 0.00 N ATOM 2137 CA ASP A 142 -2.548 14.719 13.230 1.00 0.00 C ATOM 2138 C ASP A 142 -1.192 14.293 13.784 1.00 0.00 C ATOM 2139 O ASP A 142 -0.831 13.118 13.736 1.00 0.00 O ATOM 2140 CB ASP A 142 -3.467 15.156 14.371 1.00 0.00 C ATOM 2141 CG ASP A 142 -4.777 15.732 13.872 1.00 0.00 C ATOM 2142 OD1 ASP A 142 -4.761 16.437 12.840 1.00 0.00 O ATOM 2143 OD2 ASP A 142 -5.819 15.477 14.511 1.00 0.00 O ATOM 0 H ASP A 142 -4.129 13.435 12.729 1.00 0.00 H new ATOM 0 HA ASP A 142 -2.396 15.562 12.556 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -3.672 14.302 15.016 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -2.955 15.900 14.981 1.00 0.00 H new ATOM 2148 N SER A 143 -0.445 15.258 14.311 1.00 0.00 N ATOM 2149 CA SER A 143 0.873 14.985 14.872 1.00 0.00 C ATOM 2150 C SER A 143 1.018 15.616 16.253 1.00 0.00 C ATOM 2151 O SER A 143 0.846 16.823 16.417 1.00 0.00 O ATOM 2152 CB SER A 143 1.966 15.513 13.940 1.00 0.00 C ATOM 2153 OG SER A 143 2.114 14.679 12.804 1.00 0.00 O ATOM 0 H SER A 143 -0.730 16.236 14.361 1.00 0.00 H new ATOM 0 HA SER A 143 0.981 13.905 14.973 1.00 0.00 H new ATOM 0 HB2 SER A 143 1.719 16.526 13.622 1.00 0.00 H new ATOM 0 HB3 SER A 143 2.912 15.570 14.479 1.00 0.00 H new ATOM 0 HG SER A 143 2.817 15.039 12.223 1.00 0.00 H new ATOM 2159 N SER A 144 1.336 14.788 17.244 1.00 0.00 N ATOM 2160 CA SER A 144 1.500 15.263 18.613 1.00 0.00 C ATOM 2161 C SER A 144 2.207 16.616 18.638 1.00 0.00 C ATOM 2162 O SER A 144 1.783 17.538 19.332 1.00 0.00 O ATOM 2163 CB SER A 144 2.291 14.246 19.437 1.00 0.00 C ATOM 2164 OG SER A 144 1.687 12.965 19.383 1.00 0.00 O ATOM 0 H SER A 144 1.485 13.786 17.124 1.00 0.00 H new ATOM 0 HA SER A 144 0.509 15.382 19.051 1.00 0.00 H new ATOM 0 HB2 SER A 144 3.313 14.186 19.062 1.00 0.00 H new ATOM 0 HB3 SER A 144 2.350 14.580 20.473 1.00 0.00 H new ATOM 0 HG SER A 144 2.213 12.333 19.916 1.00 0.00 H new ATOM 2170 N GLY A 145 3.289 16.724 17.873 1.00 0.00 N ATOM 2171 CA GLY A 145 4.040 17.966 17.821 1.00 0.00 C ATOM 2172 C GLY A 145 3.321 19.043 17.033 1.00 0.00 C ATOM 2173 O GLY A 145 2.382 18.773 16.285 1.00 0.00 O ATOM 0 H GLY A 145 3.659 15.974 17.289 1.00 0.00 H new ATOM 0 HA2 GLY A 145 4.220 18.321 18.836 1.00 0.00 H new ATOM 0 HA3 GLY A 145 5.015 17.779 17.370 1.00 0.00 H new ATOM 2177 N PRO A 146 3.765 20.298 17.200 1.00 0.00 N ATOM 2178 CA PRO A 146 3.173 21.446 16.508 1.00 0.00 C ATOM 2179 C PRO A 146 3.467 21.436 15.012 1.00 0.00 C ATOM 2180 O PRO A 146 4.067 20.494 14.494 1.00 0.00 O ATOM 2181 CB PRO A 146 3.843 22.649 17.177 1.00 0.00 C ATOM 2182 CG PRO A 146 5.139 22.123 17.691 1.00 0.00 C ATOM 2183 CD PRO A 146 4.881 20.692 18.077 1.00 0.00 C ATOM 0 HA PRO A 146 2.086 21.450 16.584 1.00 0.00 H new ATOM 0 HB2 PRO A 146 3.999 23.461 16.467 1.00 0.00 H new ATOM 0 HB3 PRO A 146 3.228 23.046 17.985 1.00 0.00 H new ATOM 0 HG2 PRO A 146 5.916 22.188 16.929 1.00 0.00 H new ATOM 0 HG3 PRO A 146 5.483 22.702 18.548 1.00 0.00 H new ATOM 0 HD2 PRO A 146 5.759 20.067 17.915 1.00 0.00 H new ATOM 0 HD3 PRO A 146 4.616 20.601 19.130 1.00 0.00 H new ATOM 2191 N SER A 147 3.043 22.491 14.322 1.00 0.00 N ATOM 2192 CA SER A 147 3.259 22.601 12.884 1.00 0.00 C ATOM 2193 C SER A 147 4.747 22.707 12.566 1.00 0.00 C ATOM 2194 O SER A 147 5.564 22.979 13.445 1.00 0.00 O ATOM 2195 CB SER A 147 2.519 23.819 12.329 1.00 0.00 C ATOM 2196 OG SER A 147 1.116 23.618 12.353 1.00 0.00 O ATOM 0 H SER A 147 2.548 23.281 14.736 1.00 0.00 H new ATOM 0 HA SER A 147 2.867 21.700 12.411 1.00 0.00 H new ATOM 0 HB2 SER A 147 2.773 24.702 12.916 1.00 0.00 H new ATOM 0 HB3 SER A 147 2.845 24.012 11.307 1.00 0.00 H new ATOM 0 HG SER A 147 0.666 24.411 11.995 1.00 0.00 H new ATOM 2202 N SER A 148 5.091 22.491 11.300 1.00 0.00 N ATOM 2203 CA SER A 148 6.481 22.557 10.863 1.00 0.00 C ATOM 2204 C SER A 148 7.386 21.772 11.808 1.00 0.00 C ATOM 2205 O SER A 148 8.478 22.219 12.154 1.00 0.00 O ATOM 2206 CB SER A 148 6.945 24.014 10.788 1.00 0.00 C ATOM 2207 OG SER A 148 6.055 24.792 10.007 1.00 0.00 O ATOM 0 H SER A 148 4.426 22.269 10.559 1.00 0.00 H new ATOM 0 HA SER A 148 6.546 22.110 9.871 1.00 0.00 H new ATOM 0 HB2 SER A 148 7.011 24.430 11.793 1.00 0.00 H new ATOM 0 HB3 SER A 148 7.946 24.059 10.358 1.00 0.00 H new ATOM 0 HG SER A 148 6.372 25.719 9.976 1.00 0.00 H new ATOM 2213 N GLY A 149 6.921 20.596 12.222 1.00 0.00 N ATOM 2214 CA GLY A 149 7.699 19.767 13.122 1.00 0.00 C ATOM 2215 C GLY A 149 8.820 19.035 12.413 1.00 0.00 C ATOM 2216 O GLY A 149 8.788 17.806 12.350 1.00 0.00 O ATOM 0 H GLY A 149 6.020 20.204 11.950 1.00 0.00 H new ATOM 0 HA2 GLY A 149 8.119 20.389 13.913 1.00 0.00 H new ATOM 0 HA3 GLY A 149 7.042 19.042 13.602 1.00 0.00 H new TER 2220 GLY A 149 HETATM 2221 ZN ZN A 401 7.221 -13.052 2.068 1.00 0.00 ZN