USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 565 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 NoAdj-H: A 18 HIS HD1 : A 18 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HD1 : A 56 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 131:sc= 0.838 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -2.12 K(o=-2.1,f=-2.8!) USER MOD Single : A 16 LYS NZ :NH3+ -176:sc=-0.00897 (180deg=-0.053) USER MOD Single : A 19 LYS NZ :NH3+ 167:sc= -0.33 (180deg=-0.49) USER MOD Single : A 21 LYS NZ :NH3+ 158:sc= -0.0969 (180deg=-0.53) USER MOD Single : A 23 HIS : no HD1:sc= 0.117 K(o=0.12,f=-2.2!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 168:sc= 0 (180deg=-0.278) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -117:sc= 0.00645 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.58) USER MOD Single : A 52 LYS NZ :NH3+ -160:sc= -0.0932 (180deg=-0.418) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -3.48! C(o=-3.5!,f=-3.5!) USER MOD Single : A 58 HIS : no HD1:sc= -1.15 X(o=-1.2,f=-0.76) USER MOD Single : A 60 GLN : amide:sc= -1.42 X(o=-1.4,f=-0.96) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 39:sc= 0.585 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.208 -16.137 36.502 1.00 0.00 N ATOM 2 CA GLY A 1 11.383 -15.763 35.111 1.00 0.00 C ATOM 3 C GLY A 1 10.089 -15.310 34.465 1.00 0.00 C ATOM 4 O GLY A 1 9.142 -16.088 34.345 1.00 0.00 O ATOM 0 H1 GLY A 1 12.121 -16.439 36.898 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.851 -15.321 37.039 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.526 -16.920 36.568 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.119 -14.962 35.043 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.784 -16.612 34.557 1.00 0.00 H new ATOM 8 N SER A 2 10.047 -14.049 34.048 1.00 0.00 N ATOM 9 CA SER A 2 8.857 -13.492 33.415 1.00 0.00 C ATOM 10 C SER A 2 9.235 -12.601 32.236 1.00 0.00 C ATOM 11 O SER A 2 10.359 -12.105 32.153 1.00 0.00 O ATOM 12 CB SER A 2 8.040 -12.693 34.432 1.00 0.00 C ATOM 13 OG SER A 2 7.557 -13.529 35.468 1.00 0.00 O ATOM 0 H SER A 2 10.823 -13.393 34.137 1.00 0.00 H new ATOM 0 HA SER A 2 8.252 -14.319 33.043 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.657 -11.901 34.857 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.202 -12.209 33.930 1.00 0.00 H new ATOM 0 HG SER A 2 7.040 -12.994 36.106 1.00 0.00 H new ATOM 19 N SER A 3 8.288 -12.402 31.325 1.00 0.00 N ATOM 20 CA SER A 3 8.522 -11.574 30.147 1.00 0.00 C ATOM 21 C SER A 3 7.223 -11.339 29.382 1.00 0.00 C ATOM 22 O SER A 3 6.237 -12.049 29.577 1.00 0.00 O ATOM 23 CB SER A 3 9.554 -12.233 29.231 1.00 0.00 C ATOM 24 OG SER A 3 9.107 -13.503 28.789 1.00 0.00 O ATOM 0 H SER A 3 7.352 -12.803 31.380 1.00 0.00 H new ATOM 0 HA SER A 3 8.906 -10.610 30.481 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.744 -11.591 28.371 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.500 -12.342 29.762 1.00 0.00 H new ATOM 0 HG SER A 3 9.784 -13.903 28.204 1.00 0.00 H new ATOM 30 N GLY A 4 7.231 -10.336 28.509 1.00 0.00 N ATOM 31 CA GLY A 4 6.049 -10.024 27.727 1.00 0.00 C ATOM 32 C GLY A 4 6.135 -10.554 26.310 1.00 0.00 C ATOM 33 O GLY A 4 6.968 -11.408 26.008 1.00 0.00 O ATOM 0 H GLY A 4 8.035 -9.734 28.330 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.171 -10.446 28.217 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.910 -8.943 27.700 1.00 0.00 H new ATOM 37 N SER A 5 5.269 -10.048 25.437 1.00 0.00 N ATOM 38 CA SER A 5 5.247 -10.480 24.044 1.00 0.00 C ATOM 39 C SER A 5 6.069 -9.537 23.170 1.00 0.00 C ATOM 40 O SER A 5 6.475 -8.461 23.609 1.00 0.00 O ATOM 41 CB SER A 5 3.808 -10.544 23.531 1.00 0.00 C ATOM 42 OG SER A 5 3.204 -9.263 23.543 1.00 0.00 O ATOM 0 H SER A 5 4.574 -9.339 25.670 1.00 0.00 H new ATOM 0 HA SER A 5 5.689 -11.475 23.991 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.798 -10.945 22.517 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.228 -11.228 24.150 1.00 0.00 H new ATOM 0 HG SER A 5 2.285 -9.331 23.209 1.00 0.00 H new ATOM 48 N SER A 6 6.310 -9.949 21.930 1.00 0.00 N ATOM 49 CA SER A 6 7.086 -9.145 20.994 1.00 0.00 C ATOM 50 C SER A 6 6.207 -8.635 19.856 1.00 0.00 C ATOM 51 O SER A 6 6.431 -7.550 19.321 1.00 0.00 O ATOM 52 CB SER A 6 8.249 -9.962 20.428 1.00 0.00 C ATOM 53 OG SER A 6 7.779 -11.021 19.613 1.00 0.00 O ATOM 0 H SER A 6 5.979 -10.836 21.550 1.00 0.00 H new ATOM 0 HA SER A 6 7.484 -8.287 21.535 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.903 -9.314 19.846 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.846 -10.366 21.246 1.00 0.00 H new ATOM 0 HG SER A 6 8.265 -11.019 18.762 1.00 0.00 H new ATOM 59 N GLY A 7 5.204 -9.428 19.491 1.00 0.00 N ATOM 60 CA GLY A 7 4.305 -9.042 18.419 1.00 0.00 C ATOM 61 C GLY A 7 5.010 -8.269 17.322 1.00 0.00 C ATOM 62 O GLY A 7 5.103 -7.044 17.379 1.00 0.00 O ATOM 0 H GLY A 7 4.998 -10.331 19.919 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.847 -9.935 17.993 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.498 -8.434 18.827 1.00 0.00 H new ATOM 66 N GLU A 8 5.508 -8.988 16.321 1.00 0.00 N ATOM 67 CA GLU A 8 6.210 -8.361 15.207 1.00 0.00 C ATOM 68 C GLU A 8 5.453 -8.570 13.899 1.00 0.00 C ATOM 69 O GLU A 8 5.719 -9.503 13.141 1.00 0.00 O ATOM 70 CB GLU A 8 7.627 -8.926 15.085 1.00 0.00 C ATOM 71 CG GLU A 8 8.505 -8.634 16.290 1.00 0.00 C ATOM 72 CD GLU A 8 9.589 -9.675 16.489 1.00 0.00 C ATOM 73 OE1 GLU A 8 10.496 -9.758 15.634 1.00 0.00 O ATOM 74 OE2 GLU A 8 9.530 -10.408 17.498 1.00 0.00 O ATOM 0 H GLU A 8 5.439 -10.004 16.259 1.00 0.00 H new ATOM 0 HA GLU A 8 6.269 -7.291 15.405 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.568 -10.005 14.942 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.099 -8.512 14.194 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.966 -7.654 16.170 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.884 -8.587 17.184 1.00 0.00 H new ATOM 81 N PRO A 9 4.485 -7.682 13.628 1.00 0.00 N ATOM 82 CA PRO A 9 3.669 -7.748 12.412 1.00 0.00 C ATOM 83 C PRO A 9 4.467 -7.408 11.158 1.00 0.00 C ATOM 84 O PRO A 9 5.597 -6.924 11.225 1.00 0.00 O ATOM 85 CB PRO A 9 2.584 -6.696 12.656 1.00 0.00 C ATOM 86 CG PRO A 9 3.197 -5.733 13.613 1.00 0.00 C ATOM 87 CD PRO A 9 4.114 -6.545 14.486 1.00 0.00 C ATOM 0 HA PRO A 9 3.279 -8.751 12.237 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.296 -6.202 11.728 1.00 0.00 H new ATOM 0 HB3 PRO A 9 1.682 -7.146 13.071 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.748 -4.955 13.085 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.432 -5.234 14.208 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.989 -5.971 14.793 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.614 -6.875 15.396 1.00 0.00 H new ATOM 95 N PRO A 10 3.869 -7.666 9.986 1.00 0.00 N ATOM 96 CA PRO A 10 4.506 -7.394 8.694 1.00 0.00 C ATOM 97 C PRO A 10 4.632 -5.901 8.413 1.00 0.00 C ATOM 98 O PRO A 10 3.676 -5.144 8.583 1.00 0.00 O ATOM 99 CB PRO A 10 3.560 -8.050 7.686 1.00 0.00 C ATOM 100 CG PRO A 10 2.235 -8.067 8.366 1.00 0.00 C ATOM 101 CD PRO A 10 2.523 -8.243 9.831 1.00 0.00 C ATOM 0 HA PRO A 10 5.525 -7.778 8.654 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.520 -7.485 6.755 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.888 -9.058 7.433 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.691 -7.140 8.184 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.614 -8.880 7.990 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.790 -7.725 10.450 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.500 -9.293 10.122 1.00 0.00 H new ATOM 109 N LYS A 11 5.817 -5.482 7.982 1.00 0.00 N ATOM 110 CA LYS A 11 6.068 -4.079 7.674 1.00 0.00 C ATOM 111 C LYS A 11 4.821 -3.417 7.096 1.00 0.00 C ATOM 112 O LYS A 11 4.172 -3.965 6.205 1.00 0.00 O ATOM 113 CB LYS A 11 7.230 -3.952 6.687 1.00 0.00 C ATOM 114 CG LYS A 11 8.530 -4.550 7.197 1.00 0.00 C ATOM 115 CD LYS A 11 9.235 -3.611 8.161 1.00 0.00 C ATOM 116 CE LYS A 11 10.481 -4.252 8.752 1.00 0.00 C ATOM 117 NZ LYS A 11 10.153 -5.169 9.879 1.00 0.00 N ATOM 0 H LYS A 11 6.620 -6.095 7.838 1.00 0.00 H new ATOM 0 HA LYS A 11 6.331 -3.571 8.602 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.957 -4.442 5.752 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.389 -2.898 6.460 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.325 -5.498 7.695 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.186 -4.768 6.355 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.508 -2.693 7.642 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.552 -3.332 8.964 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.008 -4.806 7.975 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.158 -3.473 9.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.029 -5.585 10.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.673 -4.636 10.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.527 -5.927 9.539 1.00 0.00 H new ATOM 131 N LEU A 12 4.493 -2.236 7.608 1.00 0.00 N ATOM 132 CA LEU A 12 3.324 -1.498 7.142 1.00 0.00 C ATOM 133 C LEU A 12 3.740 -0.277 6.327 1.00 0.00 C ATOM 134 O LEU A 12 4.414 0.620 6.834 1.00 0.00 O ATOM 135 CB LEU A 12 2.463 -1.064 8.329 1.00 0.00 C ATOM 136 CG LEU A 12 1.886 -2.190 9.187 1.00 0.00 C ATOM 137 CD1 LEU A 12 2.817 -2.510 10.346 1.00 0.00 C ATOM 138 CD2 LEU A 12 0.503 -1.815 9.699 1.00 0.00 C ATOM 0 H LEU A 12 5.020 -1.769 8.346 1.00 0.00 H new ATOM 0 HA LEU A 12 2.740 -2.158 6.501 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.062 -0.417 8.969 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.636 -0.462 7.952 1.00 0.00 H new ATOM 0 HG LEU A 12 1.793 -3.082 8.567 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.389 -3.314 10.945 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.786 -2.823 9.958 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.944 -1.623 10.967 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.108 -2.628 10.308 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.572 -0.910 10.303 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.162 -1.638 8.854 1.00 0.00 H new ATOM 150 N VAL A 13 3.334 -0.249 5.062 1.00 0.00 N ATOM 151 CA VAL A 13 3.661 0.863 4.178 1.00 0.00 C ATOM 152 C VAL A 13 2.686 2.020 4.366 1.00 0.00 C ATOM 153 O VAL A 13 3.082 3.125 4.732 1.00 0.00 O ATOM 154 CB VAL A 13 3.648 0.429 2.701 1.00 0.00 C ATOM 155 CG1 VAL A 13 3.931 1.615 1.792 1.00 0.00 C ATOM 156 CG2 VAL A 13 4.655 -0.686 2.464 1.00 0.00 C ATOM 0 H VAL A 13 2.778 -0.984 4.626 1.00 0.00 H new ATOM 0 HA VAL A 13 4.666 1.192 4.443 1.00 0.00 H new ATOM 0 HB VAL A 13 2.655 0.048 2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.918 1.288 0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.168 2.379 1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.911 2.030 2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.632 -0.980 1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.654 -0.334 2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.401 -1.544 3.087 1.00 0.00 H new ATOM 166 N ASN A 14 1.408 1.756 4.112 1.00 0.00 N ATOM 167 CA ASN A 14 0.375 2.776 4.253 1.00 0.00 C ATOM 168 C ASN A 14 0.315 3.295 5.686 1.00 0.00 C ATOM 169 O ASN A 14 1.142 2.934 6.523 1.00 0.00 O ATOM 170 CB ASN A 14 -0.987 2.211 3.845 1.00 0.00 C ATOM 171 CG ASN A 14 -1.454 1.104 4.771 1.00 0.00 C ATOM 172 OD1 ASN A 14 -0.765 0.101 4.955 1.00 0.00 O ATOM 173 ND2 ASN A 14 -2.631 1.283 5.360 1.00 0.00 N ATOM 0 H ASN A 14 1.063 0.845 3.808 1.00 0.00 H new ATOM 0 HA ASN A 14 0.628 3.608 3.595 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.724 3.014 3.842 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.928 1.828 2.826 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.997 0.573 5.994 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.169 2.131 5.178 1.00 0.00 H new ATOM 180 N ASP A 15 -0.669 4.144 5.961 1.00 0.00 N ATOM 181 CA ASP A 15 -0.839 4.712 7.293 1.00 0.00 C ATOM 182 C ASP A 15 -2.204 4.347 7.869 1.00 0.00 C ATOM 183 O ASP A 15 -2.326 4.029 9.052 1.00 0.00 O ATOM 184 CB ASP A 15 -0.682 6.233 7.246 1.00 0.00 C ATOM 185 CG ASP A 15 -1.162 6.904 8.518 1.00 0.00 C ATOM 186 OD1 ASP A 15 -0.886 6.368 9.612 1.00 0.00 O ATOM 187 OD2 ASP A 15 -1.814 7.965 8.419 1.00 0.00 O ATOM 0 H ASP A 15 -1.361 4.454 5.279 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.068 4.295 7.940 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.366 6.482 7.080 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.241 6.627 6.397 1.00 0.00 H new ATOM 192 N LYS A 16 -3.229 4.396 7.025 1.00 0.00 N ATOM 193 CA LYS A 16 -4.586 4.071 7.449 1.00 0.00 C ATOM 194 C LYS A 16 -5.154 2.923 6.621 1.00 0.00 C ATOM 195 O LYS A 16 -5.778 3.127 5.580 1.00 0.00 O ATOM 196 CB LYS A 16 -5.489 5.300 7.325 1.00 0.00 C ATOM 197 CG LYS A 16 -6.934 5.035 7.713 1.00 0.00 C ATOM 198 CD LYS A 16 -7.173 5.306 9.189 1.00 0.00 C ATOM 199 CE LYS A 16 -6.971 4.052 10.026 1.00 0.00 C ATOM 200 NZ LYS A 16 -8.208 3.226 10.094 1.00 0.00 N ATOM 0 H LYS A 16 -3.146 4.658 6.043 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.549 3.759 8.493 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.093 6.097 7.955 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.458 5.661 6.297 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.594 5.664 7.115 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.189 4.000 7.486 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.494 6.087 9.531 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.187 5.681 9.332 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.161 3.459 9.602 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.666 4.333 11.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.051 2.417 10.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.992 3.804 10.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.447 2.880 9.143 1.00 0.00 H new ATOM 214 N PRO A 17 -4.936 1.687 7.094 1.00 0.00 N ATOM 215 CA PRO A 17 -5.420 0.482 6.413 1.00 0.00 C ATOM 216 C PRO A 17 -6.937 0.347 6.483 1.00 0.00 C ATOM 217 O PRO A 17 -7.563 0.758 7.461 1.00 0.00 O ATOM 218 CB PRO A 17 -4.746 -0.656 7.183 1.00 0.00 C ATOM 219 CG PRO A 17 -4.482 -0.093 8.537 1.00 0.00 C ATOM 220 CD PRO A 17 -4.200 1.370 8.329 1.00 0.00 C ATOM 0 HA PRO A 17 -5.184 0.493 5.349 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.391 -1.533 7.238 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.822 -0.970 6.698 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.341 -0.236 9.193 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.634 -0.591 9.008 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.549 1.970 9.170 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.132 1.562 8.221 1.00 0.00 H new ATOM 228 N HIS A 18 -7.524 -0.232 5.440 1.00 0.00 N ATOM 229 CA HIS A 18 -8.969 -0.422 5.385 1.00 0.00 C ATOM 230 C HIS A 18 -9.433 -1.383 6.475 1.00 0.00 C ATOM 231 O HIS A 18 -8.729 -2.332 6.822 1.00 0.00 O ATOM 232 CB HIS A 18 -9.383 -0.952 4.012 1.00 0.00 C ATOM 233 CG HIS A 18 -9.129 0.013 2.895 1.00 0.00 C ATOM 234 ND1 HIS A 18 -9.988 1.046 2.584 1.00 0.00 N ATOM 235 CD2 HIS A 18 -8.104 0.100 2.015 1.00 0.00 C ATOM 236 CE1 HIS A 18 -9.504 1.726 1.560 1.00 0.00 C ATOM 237 NE2 HIS A 18 -8.361 1.172 1.196 1.00 0.00 N ATOM 0 H HIS A 18 -7.022 -0.577 4.622 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.444 0.545 5.552 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.843 -1.877 3.811 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.444 -1.200 4.032 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.244 -0.552 1.966 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.964 2.588 1.099 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -7.766 1.489 0.431 1.00 0.00 H new ATOM 245 N LYS A 19 -10.622 -1.131 7.013 1.00 0.00 N ATOM 246 CA LYS A 19 -11.181 -1.974 8.063 1.00 0.00 C ATOM 247 C LYS A 19 -12.455 -2.664 7.587 1.00 0.00 C ATOM 248 O LYS A 19 -13.562 -2.195 7.848 1.00 0.00 O ATOM 249 CB LYS A 19 -11.477 -1.139 9.311 1.00 0.00 C ATOM 250 CG LYS A 19 -10.291 -1.007 10.251 1.00 0.00 C ATOM 251 CD LYS A 19 -9.207 -0.121 9.660 1.00 0.00 C ATOM 252 CE LYS A 19 -7.895 -0.267 10.415 1.00 0.00 C ATOM 253 NZ LYS A 19 -7.260 -1.591 10.172 1.00 0.00 N ATOM 0 H LYS A 19 -11.217 -0.349 6.739 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.445 -2.739 8.310 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.799 -0.144 9.004 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -12.309 -1.591 9.851 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.624 -0.591 11.202 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.881 -1.995 10.461 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.056 -0.379 8.612 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.530 0.920 9.688 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.211 0.525 10.111 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.074 -0.141 11.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.279 -1.574 10.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.791 -2.329 10.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.266 -1.797 9.153 1.00 0.00 H new ATOM 267 N PHE A 20 -12.290 -3.782 6.888 1.00 0.00 N ATOM 268 CA PHE A 20 -13.427 -4.538 6.375 1.00 0.00 C ATOM 269 C PHE A 20 -13.924 -5.543 7.411 1.00 0.00 C ATOM 270 O PHE A 20 -13.239 -5.829 8.394 1.00 0.00 O ATOM 271 CB PHE A 20 -13.043 -5.267 5.085 1.00 0.00 C ATOM 272 CG PHE A 20 -12.151 -4.460 4.184 1.00 0.00 C ATOM 273 CD1 PHE A 20 -12.688 -3.527 3.312 1.00 0.00 C ATOM 274 CD2 PHE A 20 -10.777 -4.636 4.209 1.00 0.00 C ATOM 275 CE1 PHE A 20 -11.871 -2.783 2.482 1.00 0.00 C ATOM 276 CE2 PHE A 20 -9.955 -3.895 3.382 1.00 0.00 C ATOM 277 CZ PHE A 20 -10.502 -2.968 2.516 1.00 0.00 C ATOM 0 H PHE A 20 -11.380 -4.185 6.664 1.00 0.00 H new ATOM 0 HA PHE A 20 -14.232 -3.834 6.161 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -12.540 -6.200 5.340 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -13.951 -5.532 4.543 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -13.757 -3.379 3.280 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -10.344 -5.361 4.883 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -12.302 -2.058 1.808 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -8.885 -4.040 3.413 1.00 0.00 H new ATOM 0 HZ PHE A 20 -9.861 -2.389 1.867 1.00 0.00 H new ATOM 287 N LYS A 21 -15.120 -6.075 7.184 1.00 0.00 N ATOM 288 CA LYS A 21 -15.710 -7.048 8.095 1.00 0.00 C ATOM 289 C LYS A 21 -16.608 -8.024 7.342 1.00 0.00 C ATOM 290 O LYS A 21 -17.315 -7.640 6.410 1.00 0.00 O ATOM 291 CB LYS A 21 -16.516 -6.334 9.184 1.00 0.00 C ATOM 292 CG LYS A 21 -16.878 -7.229 10.357 1.00 0.00 C ATOM 293 CD LYS A 21 -15.687 -7.460 11.271 1.00 0.00 C ATOM 294 CE LYS A 21 -15.479 -6.291 12.222 1.00 0.00 C ATOM 295 NZ LYS A 21 -16.611 -6.147 13.179 1.00 0.00 N ATOM 0 H LYS A 21 -15.700 -5.848 6.376 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.900 -7.611 8.560 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.942 -5.483 9.550 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -17.431 -5.936 8.745 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.691 -6.775 10.925 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -17.244 -8.186 9.986 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.839 -8.374 11.845 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.789 -7.606 10.671 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.551 -6.434 12.776 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.369 -5.371 11.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.293 -5.619 14.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.390 -5.632 12.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.942 -7.089 13.469 1.00 0.00 H new ATOM 309 N ASP A 22 -16.574 -9.287 7.752 1.00 0.00 N ATOM 310 CA ASP A 22 -17.387 -10.319 7.117 1.00 0.00 C ATOM 311 C ASP A 22 -18.857 -9.911 7.086 1.00 0.00 C ATOM 312 O ASP A 22 -19.550 -9.973 8.102 1.00 0.00 O ATOM 313 CB ASP A 22 -17.229 -11.649 7.855 1.00 0.00 C ATOM 314 CG ASP A 22 -15.790 -11.931 8.237 1.00 0.00 C ATOM 315 OD1 ASP A 22 -14.954 -12.095 7.324 1.00 0.00 O ATOM 316 OD2 ASP A 22 -15.499 -11.988 9.450 1.00 0.00 O ATOM 0 H ASP A 22 -15.993 -9.621 8.521 1.00 0.00 H new ATOM 0 HA ASP A 22 -17.041 -10.439 6.091 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -17.845 -11.638 8.754 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -17.600 -12.457 7.225 1.00 0.00 H new ATOM 321 N HIS A 23 -19.326 -9.493 5.915 1.00 0.00 N ATOM 322 CA HIS A 23 -20.713 -9.074 5.753 1.00 0.00 C ATOM 323 C HIS A 23 -21.274 -9.556 4.418 1.00 0.00 C ATOM 324 O HIS A 23 -20.527 -9.787 3.467 1.00 0.00 O ATOM 325 CB HIS A 23 -20.823 -7.551 5.844 1.00 0.00 C ATOM 326 CG HIS A 23 -22.184 -7.072 6.245 1.00 0.00 C ATOM 327 ND1 HIS A 23 -23.171 -7.913 6.712 1.00 0.00 N ATOM 328 CD2 HIS A 23 -22.719 -5.828 6.247 1.00 0.00 C ATOM 329 CE1 HIS A 23 -24.255 -7.209 6.982 1.00 0.00 C ATOM 330 NE2 HIS A 23 -24.007 -5.941 6.709 1.00 0.00 N ATOM 0 H HIS A 23 -18.766 -9.435 5.064 1.00 0.00 H new ATOM 0 HA HIS A 23 -21.297 -9.522 6.557 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -20.091 -7.184 6.564 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -20.564 -7.118 4.878 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -22.225 -4.917 5.942 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -25.186 -7.603 7.362 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -24.666 -5.170 6.823 1.00 0.00 H new ATOM 338 N PHE A 24 -22.593 -9.707 4.356 1.00 0.00 N ATOM 339 CA PHE A 24 -23.253 -10.164 3.138 1.00 0.00 C ATOM 340 C PHE A 24 -23.834 -8.987 2.361 1.00 0.00 C ATOM 341 O PHE A 24 -24.351 -8.035 2.947 1.00 0.00 O ATOM 342 CB PHE A 24 -24.361 -11.163 3.478 1.00 0.00 C ATOM 343 CG PHE A 24 -23.850 -12.537 3.802 1.00 0.00 C ATOM 344 CD1 PHE A 24 -23.556 -13.438 2.790 1.00 0.00 C ATOM 345 CD2 PHE A 24 -23.664 -12.930 5.117 1.00 0.00 C ATOM 346 CE1 PHE A 24 -23.087 -14.704 3.085 1.00 0.00 C ATOM 347 CE2 PHE A 24 -23.194 -14.194 5.419 1.00 0.00 C ATOM 348 CZ PHE A 24 -22.905 -15.082 4.401 1.00 0.00 C ATOM 0 H PHE A 24 -23.226 -9.520 5.134 1.00 0.00 H new ATOM 0 HA PHE A 24 -22.508 -10.657 2.513 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -24.931 -10.786 4.327 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -25.050 -11.229 2.636 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -23.695 -13.147 1.759 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -23.889 -12.240 5.917 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -22.863 -15.397 2.288 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -23.053 -14.487 6.449 1.00 0.00 H new ATOM 0 HZ PHE A 24 -22.537 -16.070 4.634 1.00 0.00 H new ATOM 358 N PHE A 25 -23.747 -9.059 1.037 1.00 0.00 N ATOM 359 CA PHE A 25 -24.262 -8.000 0.177 1.00 0.00 C ATOM 360 C PHE A 25 -25.629 -8.374 -0.388 1.00 0.00 C ATOM 361 O PHE A 25 -25.733 -9.199 -1.297 1.00 0.00 O ATOM 362 CB PHE A 25 -23.284 -7.720 -0.966 1.00 0.00 C ATOM 363 CG PHE A 25 -21.901 -7.368 -0.499 1.00 0.00 C ATOM 364 CD1 PHE A 25 -21.036 -8.353 -0.049 1.00 0.00 C ATOM 365 CD2 PHE A 25 -21.465 -6.053 -0.509 1.00 0.00 C ATOM 366 CE1 PHE A 25 -19.762 -8.033 0.381 1.00 0.00 C ATOM 367 CE2 PHE A 25 -20.193 -5.727 -0.080 1.00 0.00 C ATOM 368 CZ PHE A 25 -19.340 -6.718 0.366 1.00 0.00 C ATOM 0 H PHE A 25 -23.324 -9.840 0.536 1.00 0.00 H new ATOM 0 HA PHE A 25 -24.372 -7.099 0.780 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -23.229 -8.598 -1.610 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -23.672 -6.903 -1.574 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -21.361 -9.383 -0.034 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -22.127 -5.274 -0.856 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -19.097 -8.810 0.728 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -19.866 -4.698 -0.093 1.00 0.00 H new ATOM 0 HZ PHE A 25 -18.345 -6.465 0.702 1.00 0.00 H new ATOM 378 N LYS A 26 -26.675 -7.764 0.157 1.00 0.00 N ATOM 379 CA LYS A 26 -28.037 -8.031 -0.291 1.00 0.00 C ATOM 380 C LYS A 26 -28.135 -7.952 -1.811 1.00 0.00 C ATOM 381 O LYS A 26 -28.904 -8.685 -2.433 1.00 0.00 O ATOM 382 CB LYS A 26 -29.010 -7.036 0.345 1.00 0.00 C ATOM 383 CG LYS A 26 -30.446 -7.528 0.381 1.00 0.00 C ATOM 384 CD LYS A 26 -30.707 -8.399 1.599 1.00 0.00 C ATOM 385 CE LYS A 26 -32.187 -8.442 1.947 1.00 0.00 C ATOM 386 NZ LYS A 26 -32.415 -8.877 3.353 1.00 0.00 N ATOM 0 H LYS A 26 -26.606 -7.080 0.911 1.00 0.00 H new ATOM 0 HA LYS A 26 -28.304 -9.041 0.021 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -28.683 -6.821 1.362 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -28.970 -6.098 -0.208 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -31.124 -6.674 0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -30.660 -8.095 -0.525 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -30.348 -9.410 1.408 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -30.143 -8.015 2.449 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -32.624 -7.455 1.797 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -32.700 -9.124 1.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -33.436 -8.893 3.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -32.021 -9.830 3.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -31.948 -8.212 4.002 1.00 0.00 H new ATOM 400 N LYS A 27 -27.350 -7.059 -2.404 1.00 0.00 N ATOM 401 CA LYS A 27 -27.345 -6.885 -3.852 1.00 0.00 C ATOM 402 C LYS A 27 -25.955 -7.143 -4.426 1.00 0.00 C ATOM 403 O LYS A 27 -24.939 -6.984 -3.750 1.00 0.00 O ATOM 404 CB LYS A 27 -27.806 -5.473 -4.219 1.00 0.00 C ATOM 405 CG LYS A 27 -29.289 -5.238 -3.989 1.00 0.00 C ATOM 406 CD LYS A 27 -29.654 -3.773 -4.155 1.00 0.00 C ATOM 407 CE LYS A 27 -31.161 -3.575 -4.200 1.00 0.00 C ATOM 408 NZ LYS A 27 -31.527 -2.151 -4.434 1.00 0.00 N ATOM 0 H LYS A 27 -26.708 -6.444 -1.904 1.00 0.00 H new ATOM 0 HA LYS A 27 -28.037 -7.609 -4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -27.237 -4.751 -3.634 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -27.575 -5.286 -5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -29.867 -5.840 -4.691 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -29.560 -5.570 -2.987 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -29.235 -3.197 -3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -29.208 -3.388 -5.072 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -31.585 -4.194 -4.991 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -31.600 -3.913 -3.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -32.563 -2.058 -4.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -31.144 -1.563 -3.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -31.130 -1.835 -5.342 1.00 0.00 H new ATOM 422 N PRO A 28 -25.908 -7.549 -5.704 1.00 0.00 N ATOM 423 CA PRO A 28 -24.649 -7.836 -6.397 1.00 0.00 C ATOM 424 C PRO A 28 -23.835 -6.574 -6.666 1.00 0.00 C ATOM 425 O PRO A 28 -24.185 -5.770 -7.530 1.00 0.00 O ATOM 426 CB PRO A 28 -25.105 -8.468 -7.715 1.00 0.00 C ATOM 427 CG PRO A 28 -26.478 -7.933 -7.936 1.00 0.00 C ATOM 428 CD PRO A 28 -27.081 -7.760 -6.570 1.00 0.00 C ATOM 0 HA PRO A 28 -23.995 -8.476 -5.805 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -24.439 -8.199 -8.535 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -25.109 -9.556 -7.652 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -26.445 -6.984 -8.471 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -27.071 -8.619 -8.540 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -27.763 -6.911 -6.536 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -27.651 -8.639 -6.268 1.00 0.00 H new ATOM 436 N LYS A 29 -22.748 -6.407 -5.920 1.00 0.00 N ATOM 437 CA LYS A 29 -21.883 -5.244 -6.078 1.00 0.00 C ATOM 438 C LYS A 29 -20.659 -5.587 -6.921 1.00 0.00 C ATOM 439 O LYS A 29 -20.406 -6.755 -7.220 1.00 0.00 O ATOM 440 CB LYS A 29 -21.442 -4.721 -4.709 1.00 0.00 C ATOM 441 CG LYS A 29 -22.592 -4.231 -3.847 1.00 0.00 C ATOM 442 CD LYS A 29 -22.936 -2.781 -4.147 1.00 0.00 C ATOM 443 CE LYS A 29 -23.709 -2.144 -3.002 1.00 0.00 C ATOM 444 NZ LYS A 29 -23.921 -0.686 -3.221 1.00 0.00 N ATOM 0 H LYS A 29 -22.445 -7.063 -5.200 1.00 0.00 H new ATOM 0 HA LYS A 29 -22.450 -4.468 -6.591 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -20.914 -5.514 -4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -20.733 -3.906 -4.852 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -23.468 -4.857 -4.018 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -22.328 -4.333 -2.794 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -22.020 -2.218 -4.327 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -23.527 -2.728 -5.061 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -24.674 -2.639 -2.895 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -23.167 -2.296 -2.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -24.451 -0.288 -2.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -23.000 -0.209 -3.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -24.460 -0.542 -4.099 1.00 0.00 H new ATOM 458 N PHE A 30 -19.902 -4.564 -7.301 1.00 0.00 N ATOM 459 CA PHE A 30 -18.703 -4.757 -8.109 1.00 0.00 C ATOM 460 C PHE A 30 -17.451 -4.378 -7.325 1.00 0.00 C ATOM 461 O PHE A 30 -17.370 -3.292 -6.749 1.00 0.00 O ATOM 462 CB PHE A 30 -18.787 -3.926 -9.391 1.00 0.00 C ATOM 463 CG PHE A 30 -19.630 -4.559 -10.461 1.00 0.00 C ATOM 464 CD1 PHE A 30 -20.992 -4.737 -10.274 1.00 0.00 C ATOM 465 CD2 PHE A 30 -19.062 -4.974 -11.655 1.00 0.00 C ATOM 466 CE1 PHE A 30 -21.770 -5.320 -11.256 1.00 0.00 C ATOM 467 CE2 PHE A 30 -19.836 -5.556 -12.641 1.00 0.00 C ATOM 468 CZ PHE A 30 -21.191 -5.728 -12.442 1.00 0.00 C ATOM 0 H PHE A 30 -20.097 -3.592 -7.062 1.00 0.00 H new ATOM 0 HA PHE A 30 -18.639 -5.813 -8.372 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -19.195 -2.944 -9.152 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -17.781 -3.768 -9.779 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -21.450 -4.416 -9.350 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -18.002 -4.841 -11.817 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -22.829 -5.457 -11.096 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -19.381 -5.876 -13.567 1.00 0.00 H new ATOM 0 HZ PHE A 30 -21.798 -6.181 -13.212 1.00 0.00 H new ATOM 478 N CYS A 31 -16.475 -5.280 -7.306 1.00 0.00 N ATOM 479 CA CYS A 31 -15.227 -5.042 -6.592 1.00 0.00 C ATOM 480 C CYS A 31 -14.546 -3.773 -7.095 1.00 0.00 C ATOM 481 O CYS A 31 -14.896 -3.244 -8.150 1.00 0.00 O ATOM 482 CB CYS A 31 -14.286 -6.238 -6.755 1.00 0.00 C ATOM 483 SG CYS A 31 -14.624 -7.612 -5.607 1.00 0.00 S ATOM 0 H CYS A 31 -16.525 -6.183 -7.778 1.00 0.00 H new ATOM 0 HA CYS A 31 -15.461 -4.913 -5.535 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -14.359 -6.607 -7.778 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.259 -5.901 -6.610 1.00 0.00 H new ATOM 488 N ASP A 32 -13.571 -3.289 -6.333 1.00 0.00 N ATOM 489 CA ASP A 32 -12.839 -2.083 -6.701 1.00 0.00 C ATOM 490 C ASP A 32 -11.440 -2.428 -7.201 1.00 0.00 C ATOM 491 O ASP A 32 -10.766 -1.598 -7.812 1.00 0.00 O ATOM 492 CB ASP A 32 -12.748 -1.132 -5.507 1.00 0.00 C ATOM 493 CG ASP A 32 -12.451 0.295 -5.925 1.00 0.00 C ATOM 494 OD1 ASP A 32 -13.324 0.921 -6.561 1.00 0.00 O ATOM 495 OD2 ASP A 32 -11.344 0.786 -5.617 1.00 0.00 O ATOM 0 H ASP A 32 -13.269 -3.714 -5.456 1.00 0.00 H new ATOM 0 HA ASP A 32 -13.382 -1.590 -7.507 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.687 -1.158 -4.953 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.968 -1.479 -4.829 1.00 0.00 H new ATOM 500 N VAL A 33 -11.008 -3.657 -6.937 1.00 0.00 N ATOM 501 CA VAL A 33 -9.689 -4.111 -7.359 1.00 0.00 C ATOM 502 C VAL A 33 -9.785 -5.007 -8.589 1.00 0.00 C ATOM 503 O VAL A 33 -9.177 -4.728 -9.623 1.00 0.00 O ATOM 504 CB VAL A 33 -8.972 -4.879 -6.233 1.00 0.00 C ATOM 505 CG1 VAL A 33 -7.550 -5.226 -6.644 1.00 0.00 C ATOM 506 CG2 VAL A 33 -8.981 -4.068 -4.946 1.00 0.00 C ATOM 0 H VAL A 33 -11.553 -4.356 -6.432 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.111 -3.220 -7.605 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.509 -5.810 -6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.060 -5.768 -5.836 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.571 -5.849 -7.538 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.998 -4.310 -6.853 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.470 -4.626 -4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.469 -3.120 -5.110 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.011 -3.876 -4.644 1.00 0.00 H new ATOM 516 N CYS A 34 -10.552 -6.086 -8.470 1.00 0.00 N ATOM 517 CA CYS A 34 -10.729 -7.025 -9.572 1.00 0.00 C ATOM 518 C CYS A 34 -11.820 -6.546 -10.525 1.00 0.00 C ATOM 519 O CYS A 34 -11.823 -6.893 -11.705 1.00 0.00 O ATOM 520 CB CYS A 34 -11.079 -8.414 -9.034 1.00 0.00 C ATOM 521 SG CYS A 34 -12.810 -8.586 -8.492 1.00 0.00 S ATOM 0 H CYS A 34 -11.061 -6.332 -7.621 1.00 0.00 H new ATOM 0 HA CYS A 34 -9.790 -7.082 -10.123 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -10.877 -9.154 -9.809 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.422 -8.643 -8.195 1.00 0.00 H new ATOM 526 N ALA A 35 -12.744 -5.745 -10.004 1.00 0.00 N ATOM 527 CA ALA A 35 -13.838 -5.216 -10.808 1.00 0.00 C ATOM 528 C ALA A 35 -14.736 -6.338 -11.319 1.00 0.00 C ATOM 529 O ALA A 35 -15.145 -6.339 -12.480 1.00 0.00 O ATOM 530 CB ALA A 35 -13.292 -4.403 -11.972 1.00 0.00 C ATOM 0 H ALA A 35 -12.756 -5.448 -9.028 1.00 0.00 H new ATOM 0 HA ALA A 35 -14.440 -4.564 -10.175 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -14.120 -4.014 -12.564 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.698 -3.573 -11.589 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.666 -5.039 -12.598 1.00 0.00 H new ATOM 536 N ARG A 36 -15.038 -7.292 -10.444 1.00 0.00 N ATOM 537 CA ARG A 36 -15.886 -8.421 -10.808 1.00 0.00 C ATOM 538 C ARG A 36 -17.075 -8.536 -9.859 1.00 0.00 C ATOM 539 O ARG A 36 -16.906 -8.608 -8.642 1.00 0.00 O ATOM 540 CB ARG A 36 -15.078 -9.720 -10.789 1.00 0.00 C ATOM 541 CG ARG A 36 -13.968 -9.761 -11.826 1.00 0.00 C ATOM 542 CD ARG A 36 -14.465 -10.312 -13.154 1.00 0.00 C ATOM 543 NE ARG A 36 -13.384 -10.465 -14.123 1.00 0.00 N ATOM 544 CZ ARG A 36 -12.542 -11.493 -14.128 1.00 0.00 C ATOM 545 NH1 ARG A 36 -12.657 -12.453 -13.221 1.00 0.00 N ATOM 546 NH2 ARG A 36 -11.583 -11.561 -15.043 1.00 0.00 N ATOM 0 H ARG A 36 -14.708 -7.306 -9.479 1.00 0.00 H new ATOM 0 HA ARG A 36 -16.263 -8.250 -11.816 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.643 -9.853 -9.798 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -15.752 -10.560 -10.957 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.570 -8.757 -11.974 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.148 -10.378 -11.459 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.943 -11.278 -12.989 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.225 -9.645 -13.561 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.269 -9.744 -14.835 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.393 -12.404 -12.517 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.009 -13.241 -13.227 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.492 -10.824 -15.742 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.937 -12.350 -15.047 1.00 0.00 H new ATOM 560 N MET A 37 -18.278 -8.551 -10.425 1.00 0.00 N ATOM 561 CA MET A 37 -19.495 -8.657 -9.629 1.00 0.00 C ATOM 562 C MET A 37 -19.366 -9.759 -8.582 1.00 0.00 C ATOM 563 O MET A 37 -19.219 -10.934 -8.919 1.00 0.00 O ATOM 564 CB MET A 37 -20.698 -8.935 -10.532 1.00 0.00 C ATOM 565 CG MET A 37 -22.031 -8.569 -9.899 1.00 0.00 C ATOM 566 SD MET A 37 -23.274 -8.103 -11.119 1.00 0.00 S ATOM 567 CE MET A 37 -23.154 -9.474 -12.266 1.00 0.00 C ATOM 0 H MET A 37 -18.436 -8.491 -11.431 1.00 0.00 H new ATOM 0 HA MET A 37 -19.647 -7.708 -9.115 1.00 0.00 H new ATOM 0 HB2 MET A 37 -20.581 -8.377 -11.461 1.00 0.00 H new ATOM 0 HB3 MET A 37 -20.708 -9.993 -10.794 1.00 0.00 H new ATOM 0 HG2 MET A 37 -22.397 -9.415 -9.318 1.00 0.00 H new ATOM 0 HG3 MET A 37 -21.884 -7.744 -9.202 1.00 0.00 H new ATOM 0 HE1 MET A 37 -23.997 -9.446 -12.957 1.00 0.00 H new ATOM 0 HE2 MET A 37 -22.223 -9.399 -12.827 1.00 0.00 H new ATOM 0 HE3 MET A 37 -23.169 -10.413 -11.713 1.00 0.00 H new ATOM 577 N ILE A 38 -19.420 -9.371 -7.312 1.00 0.00 N ATOM 578 CA ILE A 38 -19.309 -10.327 -6.217 1.00 0.00 C ATOM 579 C ILE A 38 -20.594 -11.132 -6.057 1.00 0.00 C ATOM 580 O ILE A 38 -21.526 -10.706 -5.375 1.00 0.00 O ATOM 581 CB ILE A 38 -18.990 -9.623 -4.885 1.00 0.00 C ATOM 582 CG1 ILE A 38 -17.729 -8.767 -5.025 1.00 0.00 C ATOM 583 CG2 ILE A 38 -18.821 -10.646 -3.772 1.00 0.00 C ATOM 584 CD1 ILE A 38 -17.650 -7.637 -4.022 1.00 0.00 C ATOM 0 H ILE A 38 -19.540 -8.402 -7.016 1.00 0.00 H new ATOM 0 HA ILE A 38 -18.490 -11.000 -6.469 1.00 0.00 H new ATOM 0 HB ILE A 38 -19.824 -8.970 -4.628 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -16.852 -9.405 -4.911 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -17.692 -8.351 -6.032 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -18.596 -10.133 -2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -19.743 -11.217 -3.660 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -18.003 -11.322 -4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -16.731 -7.073 -4.181 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -18.507 -6.976 -4.150 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -17.655 -8.046 -3.012 1.00 0.00 H new ATOM 596 N VAL A 39 -20.637 -12.300 -6.691 1.00 0.00 N ATOM 597 CA VAL A 39 -21.807 -13.167 -6.618 1.00 0.00 C ATOM 598 C VAL A 39 -21.404 -14.612 -6.345 1.00 0.00 C ATOM 599 O VAL A 39 -22.138 -15.362 -5.701 1.00 0.00 O ATOM 600 CB VAL A 39 -22.629 -13.112 -7.919 1.00 0.00 C ATOM 601 CG1 VAL A 39 -21.772 -13.513 -9.110 1.00 0.00 C ATOM 602 CG2 VAL A 39 -23.857 -14.003 -7.811 1.00 0.00 C ATOM 0 H VAL A 39 -19.875 -12.667 -7.261 1.00 0.00 H new ATOM 0 HA VAL A 39 -22.420 -12.802 -5.794 1.00 0.00 H new ATOM 0 HB VAL A 39 -22.965 -12.087 -8.073 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -22.370 -13.468 -10.020 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -20.927 -12.830 -9.197 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -21.404 -14.529 -8.968 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -24.426 -13.952 -8.739 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -23.545 -15.032 -7.633 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -24.481 -13.664 -6.984 1.00 0.00 H new ATOM 612 N LEU A 40 -20.232 -14.996 -6.839 1.00 0.00 N ATOM 613 CA LEU A 40 -19.729 -16.352 -6.648 1.00 0.00 C ATOM 614 C LEU A 40 -20.019 -16.847 -5.235 1.00 0.00 C ATOM 615 O LEU A 40 -20.635 -17.895 -5.047 1.00 0.00 O ATOM 616 CB LEU A 40 -18.225 -16.403 -6.920 1.00 0.00 C ATOM 617 CG LEU A 40 -17.810 -16.458 -8.391 1.00 0.00 C ATOM 618 CD1 LEU A 40 -16.364 -16.015 -8.554 1.00 0.00 C ATOM 619 CD2 LEU A 40 -18.007 -17.860 -8.948 1.00 0.00 C ATOM 0 H LEU A 40 -19.613 -14.388 -7.375 1.00 0.00 H new ATOM 0 HA LEU A 40 -20.242 -17.005 -7.354 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -17.764 -15.526 -6.466 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -17.814 -17.277 -6.414 1.00 0.00 H new ATOM 0 HG LEU A 40 -18.444 -15.773 -8.954 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -16.086 -16.061 -9.607 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -16.254 -14.992 -8.194 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -15.714 -16.674 -7.978 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -17.707 -17.881 -9.996 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -17.398 -18.565 -8.382 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -19.057 -18.140 -8.866 1.00 0.00 H new ATOM 631 N ASN A 41 -19.572 -16.083 -4.243 1.00 0.00 N ATOM 632 CA ASN A 41 -19.785 -16.443 -2.846 1.00 0.00 C ATOM 633 C ASN A 41 -21.102 -15.869 -2.331 1.00 0.00 C ATOM 634 O ASN A 41 -21.113 -15.006 -1.454 1.00 0.00 O ATOM 635 CB ASN A 41 -18.625 -15.939 -1.985 1.00 0.00 C ATOM 636 CG ASN A 41 -17.273 -16.301 -2.568 1.00 0.00 C ATOM 637 OD1 ASN A 41 -16.518 -15.431 -3.002 1.00 0.00 O ATOM 638 ND2 ASN A 41 -16.961 -17.592 -2.581 1.00 0.00 N ATOM 0 H ASN A 41 -19.060 -15.211 -4.381 1.00 0.00 H new ATOM 0 HA ASN A 41 -19.832 -17.530 -2.780 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -18.696 -14.856 -1.883 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -18.710 -16.360 -0.983 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -16.065 -17.896 -2.961 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -17.618 -18.279 -2.211 1.00 0.00 H new ATOM 645 N ASN A 42 -22.209 -16.355 -2.882 1.00 0.00 N ATOM 646 CA ASN A 42 -23.531 -15.890 -2.479 1.00 0.00 C ATOM 647 C ASN A 42 -23.500 -14.408 -2.118 1.00 0.00 C ATOM 648 O ASN A 42 -24.131 -13.980 -1.151 1.00 0.00 O ATOM 649 CB ASN A 42 -24.040 -16.706 -1.288 1.00 0.00 C ATOM 650 CG ASN A 42 -24.078 -18.194 -1.581 1.00 0.00 C ATOM 651 OD1 ASN A 42 -24.979 -18.681 -2.263 1.00 0.00 O ATOM 652 ND2 ASN A 42 -23.096 -18.923 -1.064 1.00 0.00 N ATOM 0 H ASN A 42 -22.217 -17.071 -3.609 1.00 0.00 H new ATOM 0 HA ASN A 42 -24.209 -16.026 -3.321 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -23.398 -16.524 -0.426 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -25.040 -16.366 -1.019 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -23.068 -19.930 -1.226 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -22.369 -18.476 -0.504 1.00 0.00 H new ATOM 659 N LYS A 43 -22.763 -13.629 -2.902 1.00 0.00 N ATOM 660 CA LYS A 43 -22.650 -12.195 -2.668 1.00 0.00 C ATOM 661 C LYS A 43 -22.025 -11.913 -1.305 1.00 0.00 C ATOM 662 O LYS A 43 -22.580 -11.165 -0.500 1.00 0.00 O ATOM 663 CB LYS A 43 -24.027 -11.533 -2.756 1.00 0.00 C ATOM 664 CG LYS A 43 -24.581 -11.467 -4.168 1.00 0.00 C ATOM 665 CD LYS A 43 -26.031 -11.012 -4.178 1.00 0.00 C ATOM 666 CE LYS A 43 -26.986 -12.194 -4.095 1.00 0.00 C ATOM 667 NZ LYS A 43 -28.255 -11.834 -3.404 1.00 0.00 N ATOM 0 H LYS A 43 -22.234 -13.967 -3.706 1.00 0.00 H new ATOM 0 HA LYS A 43 -22.002 -11.777 -3.438 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -24.726 -12.083 -2.126 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -23.961 -10.522 -2.353 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -23.979 -10.781 -4.764 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -24.503 -12.448 -4.636 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -26.208 -10.340 -3.339 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -26.230 -10.445 -5.088 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -27.209 -12.552 -5.100 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -26.503 -13.014 -3.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -28.348 -12.396 -2.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -28.244 -10.822 -3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -29.060 -12.032 -4.032 1.00 0.00 H new ATOM 681 N PHE A 44 -20.868 -12.516 -1.054 1.00 0.00 N ATOM 682 CA PHE A 44 -20.167 -12.329 0.211 1.00 0.00 C ATOM 683 C PHE A 44 -18.693 -12.013 -0.025 1.00 0.00 C ATOM 684 O PHE A 44 -18.044 -12.623 -0.873 1.00 0.00 O ATOM 685 CB PHE A 44 -20.299 -13.581 1.081 1.00 0.00 C ATOM 686 CG PHE A 44 -19.300 -13.640 2.201 1.00 0.00 C ATOM 687 CD1 PHE A 44 -18.010 -14.089 1.973 1.00 0.00 C ATOM 688 CD2 PHE A 44 -19.652 -13.246 3.482 1.00 0.00 C ATOM 689 CE1 PHE A 44 -17.089 -14.146 3.003 1.00 0.00 C ATOM 690 CE2 PHE A 44 -18.736 -13.300 4.515 1.00 0.00 C ATOM 691 CZ PHE A 44 -17.452 -13.749 4.275 1.00 0.00 C ATOM 0 H PHE A 44 -20.396 -13.138 -1.710 1.00 0.00 H new ATOM 0 HA PHE A 44 -20.623 -11.485 0.729 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -21.305 -13.619 1.499 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -20.182 -14.464 0.453 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -17.720 -14.398 0.980 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -20.654 -12.893 3.675 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -16.087 -14.501 2.813 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -19.024 -12.991 5.509 1.00 0.00 H new ATOM 0 HZ PHE A 44 -16.733 -13.790 5.080 1.00 0.00 H new ATOM 701 N GLY A 45 -18.171 -11.053 0.733 1.00 0.00 N ATOM 702 CA GLY A 45 -16.778 -10.671 0.591 1.00 0.00 C ATOM 703 C GLY A 45 -16.269 -9.883 1.782 1.00 0.00 C ATOM 704 O GLY A 45 -16.192 -10.405 2.895 1.00 0.00 O ATOM 0 H GLY A 45 -18.688 -10.533 1.442 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -16.170 -11.567 0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.658 -10.075 -0.313 1.00 0.00 H new ATOM 708 N LEU A 46 -15.920 -8.622 1.549 1.00 0.00 N ATOM 709 CA LEU A 46 -15.413 -7.760 2.611 1.00 0.00 C ATOM 710 C LEU A 46 -15.883 -6.322 2.415 1.00 0.00 C ATOM 711 O LEU A 46 -15.592 -5.697 1.394 1.00 0.00 O ATOM 712 CB LEU A 46 -13.885 -7.809 2.649 1.00 0.00 C ATOM 713 CG LEU A 46 -13.268 -9.098 3.191 1.00 0.00 C ATOM 714 CD1 LEU A 46 -11.749 -9.014 3.169 1.00 0.00 C ATOM 715 CD2 LEU A 46 -13.768 -9.377 4.601 1.00 0.00 C ATOM 0 H LEU A 46 -15.979 -8.174 0.634 1.00 0.00 H new ATOM 0 HA LEU A 46 -15.805 -8.125 3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -13.511 -7.648 1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.530 -6.977 3.256 1.00 0.00 H new ATOM 0 HG LEU A 46 -13.575 -9.923 2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.328 -9.941 3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.408 -8.862 2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.422 -8.178 3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -13.318 -10.298 4.971 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.492 -8.550 5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -14.853 -9.482 4.588 1.00 0.00 H new ATOM 727 N ARG A 47 -16.608 -5.803 3.400 1.00 0.00 N ATOM 728 CA ARG A 47 -17.117 -4.438 3.336 1.00 0.00 C ATOM 729 C ARG A 47 -16.386 -3.538 4.328 1.00 0.00 C ATOM 730 O ARG A 47 -16.318 -3.837 5.520 1.00 0.00 O ATOM 731 CB ARG A 47 -18.619 -4.417 3.624 1.00 0.00 C ATOM 732 CG ARG A 47 -19.265 -3.060 3.394 1.00 0.00 C ATOM 733 CD ARG A 47 -19.708 -2.892 1.949 1.00 0.00 C ATOM 734 NE ARG A 47 -20.562 -1.720 1.771 1.00 0.00 N ATOM 735 CZ ARG A 47 -21.878 -1.737 1.948 1.00 0.00 C ATOM 736 NH1 ARG A 47 -22.489 -2.858 2.305 1.00 0.00 N ATOM 737 NH2 ARG A 47 -22.587 -0.629 1.767 1.00 0.00 N ATOM 0 H ARG A 47 -16.856 -6.307 4.252 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.941 -4.059 2.329 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.112 -5.156 2.992 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.786 -4.719 4.658 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -20.125 -2.948 4.055 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.559 -2.271 3.653 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -18.830 -2.802 1.309 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.246 -3.784 1.629 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.124 -0.841 1.496 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -21.948 -3.711 2.445 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -23.500 -2.867 2.440 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.121 0.236 1.492 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.598 -0.642 1.903 1.00 0.00 H new ATOM 751 N CYS A 48 -15.839 -2.435 3.826 1.00 0.00 N ATOM 752 CA CYS A 48 -15.111 -1.492 4.667 1.00 0.00 C ATOM 753 C CYS A 48 -16.075 -0.611 5.456 1.00 0.00 C ATOM 754 O CYS A 48 -16.943 0.048 4.883 1.00 0.00 O ATOM 755 CB CYS A 48 -14.190 -0.620 3.811 1.00 0.00 C ATOM 756 SG CYS A 48 -12.822 0.148 4.737 1.00 0.00 S ATOM 0 H CYS A 48 -15.886 -2.173 2.841 1.00 0.00 H new ATOM 0 HA CYS A 48 -14.508 -2.063 5.373 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -13.774 -1.228 3.008 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.783 0.165 3.342 1.00 0.00 H new ATOM 761 N LYS A 49 -15.917 -0.604 6.775 1.00 0.00 N ATOM 762 CA LYS A 49 -16.770 0.196 7.645 1.00 0.00 C ATOM 763 C LYS A 49 -16.340 1.660 7.633 1.00 0.00 C ATOM 764 O LYS A 49 -16.768 2.449 8.474 1.00 0.00 O ATOM 765 CB LYS A 49 -16.729 -0.347 9.075 1.00 0.00 C ATOM 766 CG LYS A 49 -18.049 -0.216 9.814 1.00 0.00 C ATOM 767 CD LYS A 49 -18.119 1.078 10.607 1.00 0.00 C ATOM 768 CE LYS A 49 -19.235 1.040 11.640 1.00 0.00 C ATOM 769 NZ LYS A 49 -19.160 2.191 12.581 1.00 0.00 N ATOM 0 H LYS A 49 -15.205 -1.145 7.266 1.00 0.00 H new ATOM 0 HA LYS A 49 -17.791 0.132 7.268 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.441 -1.398 9.047 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.956 0.181 9.633 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -18.872 -0.251 9.100 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -18.175 -1.064 10.488 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.166 1.252 11.106 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -18.280 1.914 9.927 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -20.200 1.048 11.133 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -19.178 0.108 12.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.938 2.128 13.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -18.250 2.169 13.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -19.240 3.081 12.048 1.00 0.00 H new ATOM 783 N ASN A 50 -15.492 2.015 6.673 1.00 0.00 N ATOM 784 CA ASN A 50 -15.005 3.384 6.551 1.00 0.00 C ATOM 785 C ASN A 50 -15.401 3.985 5.206 1.00 0.00 C ATOM 786 O ASN A 50 -16.090 5.004 5.147 1.00 0.00 O ATOM 787 CB ASN A 50 -13.484 3.422 6.712 1.00 0.00 C ATOM 788 CG ASN A 50 -13.040 3.019 8.105 1.00 0.00 C ATOM 789 OD1 ASN A 50 -13.701 3.332 9.095 1.00 0.00 O ATOM 790 ND2 ASN A 50 -11.913 2.320 8.187 1.00 0.00 N ATOM 0 H ASN A 50 -15.128 1.374 5.968 1.00 0.00 H new ATOM 0 HA ASN A 50 -15.462 3.978 7.342 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.027 2.755 5.981 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -13.123 4.428 6.495 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.564 2.021 9.097 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -11.397 2.083 7.340 1.00 0.00 H new ATOM 797 N CYS A 51 -14.961 3.346 4.127 1.00 0.00 N ATOM 798 CA CYS A 51 -15.268 3.816 2.781 1.00 0.00 C ATOM 799 C CYS A 51 -16.479 3.082 2.212 1.00 0.00 C ATOM 800 O CYS A 51 -17.065 3.506 1.216 1.00 0.00 O ATOM 801 CB CYS A 51 -14.061 3.621 1.862 1.00 0.00 C ATOM 802 SG CYS A 51 -13.510 1.891 1.716 1.00 0.00 S ATOM 0 H CYS A 51 -14.391 2.501 4.159 1.00 0.00 H new ATOM 0 HA CYS A 51 -15.503 4.879 2.839 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -14.309 3.997 0.869 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -13.233 4.225 2.234 1.00 0.00 H new ATOM 807 N LYS A 52 -16.848 1.978 2.852 1.00 0.00 N ATOM 808 CA LYS A 52 -17.990 1.184 2.412 1.00 0.00 C ATOM 809 C LYS A 52 -17.742 0.596 1.026 1.00 0.00 C ATOM 810 O LYS A 52 -18.611 0.645 0.155 1.00 0.00 O ATOM 811 CB LYS A 52 -19.257 2.041 2.395 1.00 0.00 C ATOM 812 CG LYS A 52 -20.019 2.026 3.709 1.00 0.00 C ATOM 813 CD LYS A 52 -19.403 2.979 4.721 1.00 0.00 C ATOM 814 CE LYS A 52 -20.302 3.159 5.935 1.00 0.00 C ATOM 815 NZ LYS A 52 -21.600 3.793 5.575 1.00 0.00 N ATOM 0 H LYS A 52 -16.373 1.612 3.677 1.00 0.00 H new ATOM 0 HA LYS A 52 -18.124 0.363 3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -18.987 3.069 2.153 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -19.914 1.688 1.600 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -21.058 2.304 3.532 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -20.024 1.015 4.116 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -18.433 2.597 5.039 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -19.226 3.946 4.251 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -20.487 2.189 6.397 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -19.791 3.773 6.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -22.034 4.204 6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -21.437 4.543 4.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -22.237 3.076 5.174 1.00 0.00 H new ATOM 829 N THR A 53 -16.551 0.039 0.829 1.00 0.00 N ATOM 830 CA THR A 53 -16.190 -0.558 -0.450 1.00 0.00 C ATOM 831 C THR A 53 -16.473 -2.056 -0.458 1.00 0.00 C ATOM 832 O THR A 53 -16.766 -2.647 0.581 1.00 0.00 O ATOM 833 CB THR A 53 -14.702 -0.328 -0.778 1.00 0.00 C ATOM 834 OG1 THR A 53 -14.481 -0.481 -2.184 1.00 0.00 O ATOM 835 CG2 THR A 53 -13.822 -1.303 -0.012 1.00 0.00 C ATOM 0 H THR A 53 -15.820 -0.011 1.539 1.00 0.00 H new ATOM 0 HA THR A 53 -16.802 -0.071 -1.209 1.00 0.00 H new ATOM 0 HB THR A 53 -14.439 0.686 -0.478 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.533 -0.332 -2.384 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.776 -1.121 -0.260 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.971 -1.163 1.059 1.00 0.00 H new ATOM 0 HG23 THR A 53 -14.087 -2.324 -0.285 1.00 0.00 H new ATOM 843 N ASN A 54 -16.384 -2.665 -1.636 1.00 0.00 N ATOM 844 CA ASN A 54 -16.631 -4.095 -1.778 1.00 0.00 C ATOM 845 C ASN A 54 -15.439 -4.792 -2.427 1.00 0.00 C ATOM 846 O ASN A 54 -14.963 -4.373 -3.482 1.00 0.00 O ATOM 847 CB ASN A 54 -17.892 -4.336 -2.610 1.00 0.00 C ATOM 848 CG ASN A 54 -18.148 -3.222 -3.607 1.00 0.00 C ATOM 849 OD1 ASN A 54 -17.265 -2.850 -4.380 1.00 0.00 O ATOM 850 ND2 ASN A 54 -19.362 -2.682 -3.593 1.00 0.00 N ATOM 0 H ASN A 54 -16.143 -2.190 -2.506 1.00 0.00 H new ATOM 0 HA ASN A 54 -16.775 -4.514 -0.782 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -17.797 -5.282 -3.143 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -18.751 -4.429 -1.945 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -19.592 -1.928 -4.240 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -20.064 -3.021 -2.935 1.00 0.00 H new ATOM 857 N ILE A 55 -14.964 -5.856 -1.789 1.00 0.00 N ATOM 858 CA ILE A 55 -13.829 -6.611 -2.306 1.00 0.00 C ATOM 859 C ILE A 55 -13.863 -8.056 -1.820 1.00 0.00 C ATOM 860 O ILE A 55 -14.260 -8.332 -0.687 1.00 0.00 O ATOM 861 CB ILE A 55 -12.491 -5.973 -1.889 1.00 0.00 C ATOM 862 CG1 ILE A 55 -12.361 -5.958 -0.364 1.00 0.00 C ATOM 863 CG2 ILE A 55 -12.380 -4.562 -2.448 1.00 0.00 C ATOM 864 CD1 ILE A 55 -10.971 -5.609 0.121 1.00 0.00 C ATOM 0 H ILE A 55 -15.347 -6.215 -0.914 1.00 0.00 H new ATOM 0 HA ILE A 55 -13.907 -6.593 -3.393 1.00 0.00 H new ATOM 0 HB ILE A 55 -11.677 -6.571 -2.299 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -13.071 -5.240 0.046 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -12.638 -6.938 0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.429 -4.124 -2.145 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.433 -4.597 -3.536 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -13.199 -3.953 -2.064 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.953 -5.617 1.211 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.258 -6.341 -0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.699 -4.617 -0.239 1.00 0.00 H new ATOM 876 N HIS A 56 -13.443 -8.975 -2.683 1.00 0.00 N ATOM 877 CA HIS A 56 -13.423 -10.393 -2.340 1.00 0.00 C ATOM 878 C HIS A 56 -12.419 -10.669 -1.225 1.00 0.00 C ATOM 879 O HIS A 56 -11.602 -9.813 -0.889 1.00 0.00 O ATOM 880 CB HIS A 56 -13.079 -11.232 -3.572 1.00 0.00 C ATOM 881 CG HIS A 56 -14.215 -11.372 -4.537 1.00 0.00 C ATOM 882 ND1 HIS A 56 -14.161 -10.910 -5.835 1.00 0.00 N ATOM 883 CD2 HIS A 56 -15.439 -11.930 -4.389 1.00 0.00 C ATOM 884 CE1 HIS A 56 -15.304 -11.175 -6.443 1.00 0.00 C ATOM 885 NE2 HIS A 56 -16.097 -11.794 -5.587 1.00 0.00 N ATOM 0 H HIS A 56 -13.112 -8.764 -3.624 1.00 0.00 H new ATOM 0 HA HIS A 56 -14.416 -10.670 -1.986 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -12.231 -10.778 -4.085 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.763 -12.224 -3.249 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -15.826 -12.396 -3.495 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -15.548 -10.928 -7.466 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -17.044 -12.118 -5.784 1.00 0.00 H new ATOM 893 N GLU A 57 -12.488 -11.868 -0.656 1.00 0.00 N ATOM 894 CA GLU A 57 -11.586 -12.254 0.422 1.00 0.00 C ATOM 895 C GLU A 57 -10.134 -12.230 -0.048 1.00 0.00 C ATOM 896 O GLU A 57 -9.207 -12.261 0.761 1.00 0.00 O ATOM 897 CB GLU A 57 -11.942 -13.650 0.940 1.00 0.00 C ATOM 898 CG GLU A 57 -11.394 -13.942 2.327 1.00 0.00 C ATOM 899 CD GLU A 57 -11.080 -15.411 2.532 1.00 0.00 C ATOM 900 OE1 GLU A 57 -11.928 -16.255 2.170 1.00 0.00 O ATOM 901 OE2 GLU A 57 -9.989 -15.718 3.054 1.00 0.00 O ATOM 0 H GLU A 57 -13.159 -12.588 -0.923 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.700 -11.533 1.232 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.027 -13.756 0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.560 -14.396 0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -10.490 -13.355 2.487 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.119 -13.621 3.075 1.00 0.00 H new ATOM 908 N HIS A 58 -9.945 -12.175 -1.363 1.00 0.00 N ATOM 909 CA HIS A 58 -8.607 -12.146 -1.942 1.00 0.00 C ATOM 910 C HIS A 58 -8.285 -10.762 -2.498 1.00 0.00 C ATOM 911 O HIS A 58 -7.119 -10.392 -2.633 1.00 0.00 O ATOM 912 CB HIS A 58 -8.485 -13.194 -3.049 1.00 0.00 C ATOM 913 CG HIS A 58 -9.658 -13.221 -3.980 1.00 0.00 C ATOM 914 ND1 HIS A 58 -10.715 -14.093 -3.832 1.00 0.00 N ATOM 915 CD2 HIS A 58 -9.936 -12.476 -5.075 1.00 0.00 C ATOM 916 CE1 HIS A 58 -11.593 -13.884 -4.797 1.00 0.00 C ATOM 917 NE2 HIS A 58 -11.145 -12.908 -5.564 1.00 0.00 N ATOM 0 H HIS A 58 -10.701 -12.150 -2.047 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.891 -12.376 -1.153 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -7.580 -12.999 -3.624 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -8.369 -14.178 -2.595 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -9.322 -11.689 -5.487 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -12.520 -14.421 -4.935 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -11.619 -12.535 -6.386 1.00 0.00 H new ATOM 925 N CYS A 59 -9.327 -10.002 -2.820 1.00 0.00 N ATOM 926 CA CYS A 59 -9.156 -8.660 -3.362 1.00 0.00 C ATOM 927 C CYS A 59 -8.725 -7.683 -2.272 1.00 0.00 C ATOM 928 O CYS A 59 -8.603 -6.483 -2.514 1.00 0.00 O ATOM 929 CB CYS A 59 -10.457 -8.179 -4.008 1.00 0.00 C ATOM 930 SG CYS A 59 -10.888 -9.049 -5.549 1.00 0.00 S ATOM 0 H CYS A 59 -10.299 -10.293 -2.715 1.00 0.00 H new ATOM 0 HA CYS A 59 -8.374 -8.699 -4.120 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.272 -8.302 -3.294 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -10.374 -7.112 -4.217 1.00 0.00 H new ATOM 935 N GLN A 60 -8.496 -8.208 -1.072 1.00 0.00 N ATOM 936 CA GLN A 60 -8.079 -7.382 0.055 1.00 0.00 C ATOM 937 C GLN A 60 -6.561 -7.394 0.206 1.00 0.00 C ATOM 938 O GLN A 60 -5.972 -6.447 0.727 1.00 0.00 O ATOM 939 CB GLN A 60 -8.736 -7.875 1.345 1.00 0.00 C ATOM 940 CG GLN A 60 -7.952 -8.973 2.046 1.00 0.00 C ATOM 941 CD GLN A 60 -8.583 -9.394 3.359 1.00 0.00 C ATOM 942 OE1 GLN A 60 -8.627 -8.621 4.316 1.00 0.00 O ATOM 943 NE2 GLN A 60 -9.077 -10.625 3.410 1.00 0.00 N ATOM 0 H GLN A 60 -8.592 -9.200 -0.856 1.00 0.00 H new ATOM 0 HA GLN A 60 -8.398 -6.358 -0.139 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -8.855 -7.033 2.027 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -9.736 -8.244 1.116 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.879 -9.839 1.388 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.935 -8.627 2.231 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.019 -11.232 2.592 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.515 -10.964 4.267 1.00 0.00 H new ATOM 952 N SER A 61 -5.934 -8.472 -0.253 1.00 0.00 N ATOM 953 CA SER A 61 -4.485 -8.609 -0.165 1.00 0.00 C ATOM 954 C SER A 61 -3.786 -7.457 -0.881 1.00 0.00 C ATOM 955 O SER A 61 -2.658 -7.096 -0.546 1.00 0.00 O ATOM 956 CB SER A 61 -4.040 -9.944 -0.765 1.00 0.00 C ATOM 957 OG SER A 61 -2.635 -9.978 -0.946 1.00 0.00 O ATOM 0 H SER A 61 -6.407 -9.263 -0.690 1.00 0.00 H new ATOM 0 HA SER A 61 -4.205 -8.582 0.888 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.345 -10.760 -0.111 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.537 -10.100 -1.722 1.00 0.00 H new ATOM 0 HG SER A 61 -2.375 -10.842 -1.329 1.00 0.00 H new ATOM 963 N TYR A 62 -4.465 -6.885 -1.869 1.00 0.00 N ATOM 964 CA TYR A 62 -3.909 -5.776 -2.636 1.00 0.00 C ATOM 965 C TYR A 62 -4.138 -4.449 -1.919 1.00 0.00 C ATOM 966 O TYR A 62 -3.262 -3.585 -1.892 1.00 0.00 O ATOM 967 CB TYR A 62 -4.535 -5.729 -4.031 1.00 0.00 C ATOM 968 CG TYR A 62 -4.701 -7.091 -4.666 1.00 0.00 C ATOM 969 CD1 TYR A 62 -3.600 -7.807 -5.120 1.00 0.00 C ATOM 970 CD2 TYR A 62 -5.959 -7.663 -4.812 1.00 0.00 C ATOM 971 CE1 TYR A 62 -3.747 -9.052 -5.702 1.00 0.00 C ATOM 972 CE2 TYR A 62 -6.116 -8.907 -5.391 1.00 0.00 C ATOM 973 CZ TYR A 62 -5.007 -9.597 -5.835 1.00 0.00 C ATOM 974 OH TYR A 62 -5.158 -10.837 -6.412 1.00 0.00 O ATOM 0 H TYR A 62 -5.401 -7.171 -2.158 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.835 -5.936 -2.732 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -5.510 -5.246 -3.966 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -3.914 -5.109 -4.678 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.612 -7.383 -5.016 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.829 -7.125 -4.467 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.881 -9.595 -6.050 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.101 -9.337 -5.496 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.108 -11.076 -6.429 1.00 0.00 H new ATOM 984 N VAL A 63 -5.324 -4.296 -1.337 1.00 0.00 N ATOM 985 CA VAL A 63 -5.670 -3.076 -0.617 1.00 0.00 C ATOM 986 C VAL A 63 -5.103 -3.093 0.798 1.00 0.00 C ATOM 987 O VAL A 63 -5.048 -2.062 1.467 1.00 0.00 O ATOM 988 CB VAL A 63 -7.196 -2.880 -0.545 1.00 0.00 C ATOM 989 CG1 VAL A 63 -7.821 -3.046 -1.922 1.00 0.00 C ATOM 990 CG2 VAL A 63 -7.811 -3.853 0.450 1.00 0.00 C ATOM 0 H VAL A 63 -6.061 -5.001 -1.350 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.231 -2.246 -1.171 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.399 -1.866 -0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.899 -2.904 -1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.401 -2.306 -2.604 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.611 -4.047 -2.299 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.890 -3.701 0.488 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.600 -4.876 0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.385 -3.681 1.438 1.00 0.00 H new ATOM 1000 N GLU A 64 -4.682 -4.272 1.246 1.00 0.00 N ATOM 1001 CA GLU A 64 -4.119 -4.423 2.583 1.00 0.00 C ATOM 1002 C GLU A 64 -3.158 -3.281 2.901 1.00 0.00 C ATOM 1003 O GLU A 64 -3.077 -2.824 4.041 1.00 0.00 O ATOM 1004 CB GLU A 64 -3.393 -5.764 2.706 1.00 0.00 C ATOM 1005 CG GLU A 64 -4.256 -6.872 3.287 1.00 0.00 C ATOM 1006 CD GLU A 64 -4.710 -6.577 4.703 1.00 0.00 C ATOM 1007 OE1 GLU A 64 -5.711 -5.848 4.866 1.00 0.00 O ATOM 1008 OE2 GLU A 64 -4.064 -7.076 5.648 1.00 0.00 O ATOM 0 H GLU A 64 -4.720 -5.135 0.704 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.939 -4.395 3.300 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.040 -6.068 1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.512 -5.634 3.334 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.130 -7.017 2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.696 -7.807 3.277 1.00 0.00 H new ATOM 1015 N MET A 65 -2.433 -2.825 1.885 1.00 0.00 N ATOM 1016 CA MET A 65 -1.478 -1.736 2.056 1.00 0.00 C ATOM 1017 C MET A 65 -1.938 -0.488 1.310 1.00 0.00 C ATOM 1018 O MET A 65 -1.130 0.216 0.704 1.00 0.00 O ATOM 1019 CB MET A 65 -0.094 -2.161 1.561 1.00 0.00 C ATOM 1020 CG MET A 65 0.680 -2.999 2.565 1.00 0.00 C ATOM 1021 SD MET A 65 0.180 -4.732 2.554 1.00 0.00 S ATOM 1022 CE MET A 65 1.560 -5.488 3.410 1.00 0.00 C ATOM 0 H MET A 65 -2.488 -3.192 0.935 1.00 0.00 H new ATOM 0 HA MET A 65 -1.419 -1.501 3.119 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.206 -2.728 0.637 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.486 -1.270 1.320 1.00 0.00 H new ATOM 0 HG2 MET A 65 1.745 -2.931 2.345 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.534 -2.589 3.564 1.00 0.00 H new ATOM 0 HE1 MET A 65 1.398 -6.563 3.483 1.00 0.00 H new ATOM 0 HE2 MET A 65 2.480 -5.296 2.858 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.643 -5.065 4.411 1.00 0.00 H new ATOM 1032 N GLN A 66 -3.239 -0.221 1.357 1.00 0.00 N ATOM 1033 CA GLN A 66 -3.804 0.942 0.684 1.00 0.00 C ATOM 1034 C GLN A 66 -4.565 1.824 1.668 1.00 0.00 C ATOM 1035 O GLN A 66 -5.387 1.338 2.445 1.00 0.00 O ATOM 1036 CB GLN A 66 -4.734 0.501 -0.448 1.00 0.00 C ATOM 1037 CG GLN A 66 -5.083 1.618 -1.418 1.00 0.00 C ATOM 1038 CD GLN A 66 -5.784 1.111 -2.663 1.00 0.00 C ATOM 1039 OE1 GLN A 66 -5.359 0.128 -3.272 1.00 0.00 O ATOM 1040 NE2 GLN A 66 -6.865 1.779 -3.049 1.00 0.00 N ATOM 0 H GLN A 66 -3.921 -0.794 1.854 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.982 1.522 0.265 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.262 -0.313 -0.999 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.653 0.104 -0.018 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.722 2.344 -0.916 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.172 2.142 -1.706 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -7.182 2.588 -2.515 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -7.378 1.483 -3.879 1.00 0.00 H new ATOM 1049 N ARG A 67 -4.286 3.123 1.630 1.00 0.00 N ATOM 1050 CA ARG A 67 -4.943 4.073 2.520 1.00 0.00 C ATOM 1051 C ARG A 67 -6.440 4.143 2.230 1.00 0.00 C ATOM 1052 O ARG A 67 -6.866 4.047 1.079 1.00 0.00 O ATOM 1053 CB ARG A 67 -4.319 5.461 2.370 1.00 0.00 C ATOM 1054 CG ARG A 67 -2.802 5.461 2.474 1.00 0.00 C ATOM 1055 CD ARG A 67 -2.256 6.869 2.652 1.00 0.00 C ATOM 1056 NE ARG A 67 -2.499 7.385 3.996 1.00 0.00 N ATOM 1057 CZ ARG A 67 -3.576 8.087 4.330 1.00 0.00 C ATOM 1058 NH1 ARG A 67 -4.505 8.355 3.423 1.00 0.00 N ATOM 1059 NH2 ARG A 67 -3.727 8.522 5.575 1.00 0.00 N ATOM 0 H ARG A 67 -3.609 3.542 0.992 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.804 3.729 3.545 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.609 5.878 1.406 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.727 6.119 3.137 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.494 4.841 3.316 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.375 5.015 1.576 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.185 6.870 2.452 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.718 7.532 1.920 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.804 7.196 4.718 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.394 8.022 2.465 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.331 8.894 3.683 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.015 8.317 6.277 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.555 9.061 5.830 1.00 0.00 H new ATOM 1073 N CYS A 68 -7.234 4.310 3.283 1.00 0.00 N ATOM 1074 CA CYS A 68 -8.683 4.391 3.143 1.00 0.00 C ATOM 1075 C CYS A 68 -9.142 5.845 3.087 1.00 0.00 C ATOM 1076 O CYS A 68 -8.727 6.670 3.901 1.00 0.00 O ATOM 1077 CB CYS A 68 -9.369 3.672 4.306 1.00 0.00 C ATOM 1078 SG CYS A 68 -11.189 3.723 4.240 1.00 0.00 S ATOM 0 H CYS A 68 -6.898 4.392 4.243 1.00 0.00 H new ATOM 0 HA CYS A 68 -8.962 3.904 2.209 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -9.045 2.631 4.318 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -9.037 4.120 5.243 1.00 0.00 H new ATOM 1083 N SER A 69 -10.002 6.152 2.121 1.00 0.00 N ATOM 1084 CA SER A 69 -10.516 7.506 1.957 1.00 0.00 C ATOM 1085 C SER A 69 -11.507 7.850 3.065 1.00 0.00 C ATOM 1086 O SER A 69 -11.690 9.017 3.409 1.00 0.00 O ATOM 1087 CB SER A 69 -11.190 7.656 0.591 1.00 0.00 C ATOM 1088 OG SER A 69 -12.224 6.702 0.424 1.00 0.00 O ATOM 0 H SER A 69 -10.357 5.481 1.440 1.00 0.00 H new ATOM 0 HA SER A 69 -9.675 8.197 2.018 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.599 8.661 0.493 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.449 7.535 -0.199 1.00 0.00 H new ATOM 0 HG SER A 69 -12.639 6.820 -0.456 1.00 0.00 H new ATOM 1094 N GLY A 70 -12.143 6.823 3.621 1.00 0.00 N ATOM 1095 CA GLY A 70 -13.107 7.036 4.685 1.00 0.00 C ATOM 1096 C GLY A 70 -14.342 7.776 4.209 1.00 0.00 C ATOM 1097 O GLY A 70 -14.566 7.946 3.010 1.00 0.00 O ATOM 0 H GLY A 70 -12.008 5.848 3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.402 6.073 5.102 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -12.636 7.601 5.490 1.00 0.00 H new ATOM 1101 N PRO A 71 -15.169 8.229 5.162 1.00 0.00 N ATOM 1102 CA PRO A 71 -16.402 8.961 4.858 1.00 0.00 C ATOM 1103 C PRO A 71 -16.128 10.352 4.298 1.00 0.00 C ATOM 1104 O PRO A 71 -17.054 11.095 3.974 1.00 0.00 O ATOM 1105 CB PRO A 71 -17.101 9.059 6.216 1.00 0.00 C ATOM 1106 CG PRO A 71 -16.000 8.970 7.215 1.00 0.00 C ATOM 1107 CD PRO A 71 -14.964 8.062 6.611 1.00 0.00 C ATOM 0 HA PRO A 71 -16.995 8.459 4.093 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -17.649 9.996 6.313 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -17.823 8.253 6.349 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.582 9.955 7.423 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -16.364 8.571 8.162 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -13.955 8.348 6.910 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -15.107 7.027 6.921 1.00 0.00 H new ATOM 1115 N SER A 72 -14.849 10.698 4.185 1.00 0.00 N ATOM 1116 CA SER A 72 -14.453 12.002 3.667 1.00 0.00 C ATOM 1117 C SER A 72 -13.329 11.862 2.645 1.00 0.00 C ATOM 1118 O SER A 72 -12.184 11.579 2.999 1.00 0.00 O ATOM 1119 CB SER A 72 -14.006 12.915 4.811 1.00 0.00 C ATOM 1120 OG SER A 72 -12.957 12.322 5.556 1.00 0.00 O ATOM 0 H SER A 72 -14.070 10.093 4.445 1.00 0.00 H new ATOM 0 HA SER A 72 -15.317 12.447 3.173 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.674 13.872 4.408 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.851 13.121 5.468 1.00 0.00 H new ATOM 0 HG SER A 72 -12.348 11.854 4.948 1.00 0.00 H new ATOM 1126 N SER A 73 -13.664 12.062 1.375 1.00 0.00 N ATOM 1127 CA SER A 73 -12.685 11.955 0.299 1.00 0.00 C ATOM 1128 C SER A 73 -11.837 13.220 0.208 1.00 0.00 C ATOM 1129 O SER A 73 -12.320 14.323 0.458 1.00 0.00 O ATOM 1130 CB SER A 73 -13.388 11.701 -1.036 1.00 0.00 C ATOM 1131 OG SER A 73 -14.104 12.848 -1.461 1.00 0.00 O ATOM 0 H SER A 73 -14.606 12.299 1.065 1.00 0.00 H new ATOM 0 HA SER A 73 -12.028 11.114 0.521 1.00 0.00 H new ATOM 0 HB2 SER A 73 -12.652 11.427 -1.792 1.00 0.00 H new ATOM 0 HB3 SER A 73 -14.072 10.858 -0.936 1.00 0.00 H new ATOM 0 HG SER A 73 -14.543 12.661 -2.317 1.00 0.00 H new ATOM 1137 N GLY A 74 -10.569 13.050 -0.152 1.00 0.00 N ATOM 1138 CA GLY A 74 -9.673 14.185 -0.270 1.00 0.00 C ATOM 1139 C GLY A 74 -9.620 15.016 0.996 1.00 0.00 C ATOM 1140 O GLY A 74 -8.532 15.229 1.529 1.00 0.00 O ATOM 0 H GLY A 74 -10.146 12.146 -0.364 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.671 13.829 -0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.995 14.814 -1.100 1.00 0.00 H new TER 1144 GLY A 74 HETATM 1145 ZN ZN A 201 -11.867 1.692 3.343 1.00 0.00 ZN HETATM 1146 ZN ZN A 401 -12.993 -9.155 -6.239 1.00 0.00 ZN