USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 546 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 42 LYS NZ :NH3+ -166:sc= 0.887 (180deg=0.476) USER MOD Set 1.2: A 46 GLN : amide:sc= -1.06 K(o=-0.17,f=-4.5!) USER MOD Set 2.1: A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -50:sc= 0.758 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0.0513 X(o=0.051,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00127 USER MOD Single : A 21 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.058) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.487 K(o=-0.49,f=-5.1!) USER MOD Single : A 31 GLN : amide:sc= -0.0552 X(o=-0.055,f=-0.47) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HD1:sc= -1.02 F(o=-2.1!,f=-1) USER MOD Single : A 43 SER OG : rot 180:sc= -0.0489 USER MOD Single : A 45 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0122) USER MOD Single : A 47 CYS SG : rot -150:sc= -1.05 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 153:sc= -0.151 (180deg=-0.683) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.999 -7.847 -14.181 1.00 0.00 N ATOM 2 CA GLY A 1 -10.099 -8.149 -13.284 1.00 0.00 C ATOM 3 C GLY A 1 -9.750 -7.892 -11.832 1.00 0.00 C ATOM 4 O GLY A 1 -9.446 -8.822 -11.085 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.288 -8.039 -15.161 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.739 -6.844 -14.087 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.180 -8.441 -13.939 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.964 -7.545 -13.559 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.387 -9.193 -13.406 1.00 0.00 H new ATOM 8 N SER A 2 -9.792 -6.625 -11.430 1.00 0.00 N ATOM 9 CA SER A 2 -9.472 -6.247 -10.059 1.00 0.00 C ATOM 10 C SER A 2 -10.742 -6.105 -9.224 1.00 0.00 C ATOM 11 O SER A 2 -10.877 -5.172 -8.434 1.00 0.00 O ATOM 12 CB SER A 2 -8.686 -4.935 -10.039 1.00 0.00 C ATOM 13 OG SER A 2 -9.483 -3.856 -10.497 1.00 0.00 O ATOM 0 H SER A 2 -10.045 -5.843 -12.035 1.00 0.00 H new ATOM 0 HA SER A 2 -8.858 -7.036 -9.625 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.339 -4.731 -9.026 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.800 -5.029 -10.667 1.00 0.00 H new ATOM 0 HG SER A 2 -8.958 -3.029 -10.473 1.00 0.00 H new ATOM 19 N SER A 3 -11.670 -7.039 -9.407 1.00 0.00 N ATOM 20 CA SER A 3 -12.931 -7.018 -8.675 1.00 0.00 C ATOM 21 C SER A 3 -13.067 -8.254 -7.791 1.00 0.00 C ATOM 22 O SER A 3 -12.808 -9.374 -8.227 1.00 0.00 O ATOM 23 CB SER A 3 -14.108 -6.941 -9.648 1.00 0.00 C ATOM 24 OG SER A 3 -14.301 -8.176 -10.315 1.00 0.00 O ATOM 0 H SER A 3 -11.572 -7.820 -10.056 1.00 0.00 H new ATOM 0 HA SER A 3 -12.938 -6.134 -8.037 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.015 -6.671 -9.106 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.928 -6.153 -10.380 1.00 0.00 H new ATOM 0 HG SER A 3 -15.060 -8.101 -10.930 1.00 0.00 H new ATOM 30 N GLY A 4 -13.475 -8.039 -6.544 1.00 0.00 N ATOM 31 CA GLY A 4 -13.639 -9.144 -5.617 1.00 0.00 C ATOM 32 C GLY A 4 -15.011 -9.781 -5.710 1.00 0.00 C ATOM 33 O GLY A 4 -15.905 -9.252 -6.371 1.00 0.00 O ATOM 0 H GLY A 4 -13.695 -7.120 -6.159 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.878 -9.898 -5.817 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.475 -8.788 -4.600 1.00 0.00 H new ATOM 37 N SER A 5 -15.179 -10.920 -5.047 1.00 0.00 N ATOM 38 CA SER A 5 -16.451 -11.633 -5.063 1.00 0.00 C ATOM 39 C SER A 5 -16.914 -11.950 -3.644 1.00 0.00 C ATOM 40 O SER A 5 -18.052 -11.664 -3.272 1.00 0.00 O ATOM 41 CB SER A 5 -16.325 -12.926 -5.871 1.00 0.00 C ATOM 42 OG SER A 5 -15.811 -12.670 -7.166 1.00 0.00 O ATOM 0 H SER A 5 -14.451 -11.369 -4.492 1.00 0.00 H new ATOM 0 HA SER A 5 -17.194 -10.989 -5.534 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.670 -13.623 -5.348 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.301 -13.405 -5.952 1.00 0.00 H new ATOM 0 HG SER A 5 -15.738 -13.512 -7.662 1.00 0.00 H new ATOM 48 N SER A 6 -16.022 -12.542 -2.856 1.00 0.00 N ATOM 49 CA SER A 6 -16.339 -12.901 -1.479 1.00 0.00 C ATOM 50 C SER A 6 -15.900 -11.803 -0.515 1.00 0.00 C ATOM 51 O SER A 6 -15.355 -12.079 0.552 1.00 0.00 O ATOM 52 CB SER A 6 -15.664 -14.222 -1.106 1.00 0.00 C ATOM 53 OG SER A 6 -16.022 -14.627 0.204 1.00 0.00 O ATOM 0 H SER A 6 -15.075 -12.783 -3.148 1.00 0.00 H new ATOM 0 HA SER A 6 -17.420 -13.018 -1.400 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.951 -14.994 -1.820 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.582 -14.112 -1.173 1.00 0.00 H new ATOM 0 HG SER A 6 -15.887 -13.881 0.825 1.00 0.00 H new ATOM 59 N GLY A 7 -16.141 -10.554 -0.902 1.00 0.00 N ATOM 60 CA GLY A 7 -15.765 -9.431 -0.063 1.00 0.00 C ATOM 61 C GLY A 7 -15.635 -8.140 -0.846 1.00 0.00 C ATOM 62 O GLY A 7 -16.005 -8.075 -2.018 1.00 0.00 O ATOM 0 H GLY A 7 -16.590 -10.300 -1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.510 -9.303 0.722 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.818 -9.651 0.429 1.00 0.00 H new ATOM 66 N LYS A 8 -15.110 -7.106 -0.197 1.00 0.00 N ATOM 67 CA LYS A 8 -14.933 -5.809 -0.838 1.00 0.00 C ATOM 68 C LYS A 8 -13.742 -5.832 -1.792 1.00 0.00 C ATOM 69 O LYS A 8 -12.645 -6.245 -1.421 1.00 0.00 O ATOM 70 CB LYS A 8 -14.734 -4.718 0.217 1.00 0.00 C ATOM 71 CG LYS A 8 -15.910 -4.569 1.166 1.00 0.00 C ATOM 72 CD LYS A 8 -17.107 -3.937 0.476 1.00 0.00 C ATOM 73 CE LYS A 8 -18.415 -4.378 1.115 1.00 0.00 C ATOM 74 NZ LYS A 8 -19.492 -3.367 0.928 1.00 0.00 N ATOM 0 H LYS A 8 -14.799 -7.142 0.774 1.00 0.00 H new ATOM 0 HA LYS A 8 -15.833 -5.590 -1.413 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.837 -4.942 0.795 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.560 -3.766 -0.285 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -16.189 -5.547 1.557 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.615 -3.957 2.019 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -17.025 -2.851 0.525 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -17.106 -4.210 -0.579 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -18.729 -5.328 0.681 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -18.259 -4.550 2.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -20.367 -3.705 1.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -19.204 -2.468 1.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -19.659 -3.221 -0.088 1.00 0.00 H new ATOM 88 N GLY A 9 -13.967 -5.383 -3.023 1.00 0.00 N ATOM 89 CA GLY A 9 -12.904 -5.359 -4.010 1.00 0.00 C ATOM 90 C GLY A 9 -12.965 -4.133 -4.899 1.00 0.00 C ATOM 91 O GLY A 9 -13.352 -4.221 -6.064 1.00 0.00 O ATOM 0 H GLY A 9 -14.867 -5.035 -3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.940 -5.388 -3.502 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -12.966 -6.255 -4.628 1.00 0.00 H new ATOM 95 N GLY A 10 -12.583 -2.985 -4.349 1.00 0.00 N ATOM 96 CA GLY A 10 -12.605 -1.752 -5.114 1.00 0.00 C ATOM 97 C GLY A 10 -11.648 -1.781 -6.289 1.00 0.00 C ATOM 98 O GLY A 10 -11.214 -2.850 -6.719 1.00 0.00 O ATOM 0 H GLY A 10 -12.259 -2.887 -3.387 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.617 -1.572 -5.478 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.348 -0.918 -4.461 1.00 0.00 H new ATOM 102 N VAL A 11 -11.319 -0.604 -6.812 1.00 0.00 N ATOM 103 CA VAL A 11 -10.408 -0.499 -7.945 1.00 0.00 C ATOM 104 C VAL A 11 -9.042 0.017 -7.506 1.00 0.00 C ATOM 105 O VAL A 11 -8.888 0.531 -6.398 1.00 0.00 O ATOM 106 CB VAL A 11 -10.971 0.435 -9.033 1.00 0.00 C ATOM 107 CG1 VAL A 11 -12.299 -0.092 -9.554 1.00 0.00 C ATOM 108 CG2 VAL A 11 -11.123 1.849 -8.494 1.00 0.00 C ATOM 0 H VAL A 11 -11.670 0.290 -6.469 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.299 -1.502 -8.358 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.267 0.462 -9.865 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.681 0.581 -10.322 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -12.154 -1.085 -9.981 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.014 -0.150 -8.734 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.522 2.495 -9.276 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.806 1.843 -7.644 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.150 2.223 -8.175 1.00 0.00 H new ATOM 118 N TRP A 12 -8.053 -0.124 -8.381 1.00 0.00 N ATOM 119 CA TRP A 12 -6.699 0.328 -8.084 1.00 0.00 C ATOM 120 C TRP A 12 -5.926 0.613 -9.366 1.00 0.00 C ATOM 121 O TRP A 12 -5.921 -0.198 -10.292 1.00 0.00 O ATOM 122 CB TRP A 12 -5.960 -0.721 -7.251 1.00 0.00 C ATOM 123 CG TRP A 12 -6.250 -0.626 -5.783 1.00 0.00 C ATOM 124 CD1 TRP A 12 -7.319 -1.160 -5.123 1.00 0.00 C ATOM 125 CD2 TRP A 12 -5.460 0.046 -4.796 1.00 0.00 C ATOM 126 NE1 TRP A 12 -7.242 -0.862 -3.784 1.00 0.00 N ATOM 127 CE2 TRP A 12 -6.110 -0.123 -3.557 1.00 0.00 C ATOM 128 CE3 TRP A 12 -4.267 0.771 -4.836 1.00 0.00 C ATOM 129 CZ2 TRP A 12 -5.606 0.408 -2.374 1.00 0.00 C ATOM 130 CZ3 TRP A 12 -3.767 1.299 -3.661 1.00 0.00 C ATOM 131 CH2 TRP A 12 -4.436 1.115 -2.443 1.00 0.00 C ATOM 0 H TRP A 12 -8.163 -0.548 -9.302 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.770 1.253 -7.512 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.235 -1.715 -7.605 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.887 -0.611 -7.410 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -8.109 -1.733 -5.586 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.918 -1.145 -3.074 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.744 0.917 -5.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.120 0.267 -1.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.846 1.863 -3.681 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.020 1.539 -1.541 1.00 0.00 H new ATOM 142 N ARG A 13 -5.274 1.770 -9.415 1.00 0.00 N ATOM 143 CA ARG A 13 -4.499 2.162 -10.586 1.00 0.00 C ATOM 144 C ARG A 13 -3.002 2.095 -10.294 1.00 0.00 C ATOM 145 O ARG A 13 -2.580 2.185 -9.142 1.00 0.00 O ATOM 146 CB ARG A 13 -4.880 3.576 -11.027 1.00 0.00 C ATOM 147 CG ARG A 13 -6.381 3.801 -11.119 1.00 0.00 C ATOM 148 CD ARG A 13 -7.017 2.898 -12.165 1.00 0.00 C ATOM 149 NE ARG A 13 -7.012 3.509 -13.491 1.00 0.00 N ATOM 150 CZ ARG A 13 -5.997 3.410 -14.343 1.00 0.00 C ATOM 151 NH1 ARG A 13 -4.911 2.727 -14.008 1.00 0.00 N ATOM 152 NH2 ARG A 13 -6.068 3.994 -15.532 1.00 0.00 N ATOM 0 H ARG A 13 -5.267 2.453 -8.657 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.727 1.464 -11.392 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.456 4.293 -10.324 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.430 3.778 -11.999 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.838 3.613 -10.148 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.579 4.844 -11.368 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.480 1.950 -12.201 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.043 2.672 -11.874 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.833 4.041 -13.779 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.853 2.276 -13.095 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.133 2.652 -14.664 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.902 4.520 -15.793 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.288 3.917 -16.185 1.00 0.00 H new ATOM 166 N ASN A 14 -2.206 1.937 -11.346 1.00 0.00 N ATOM 167 CA ASN A 14 -0.757 1.857 -11.202 1.00 0.00 C ATOM 168 C ASN A 14 -0.261 2.835 -10.141 1.00 0.00 C ATOM 169 O ASN A 14 0.403 2.443 -9.181 1.00 0.00 O ATOM 170 CB ASN A 14 -0.074 2.149 -12.540 1.00 0.00 C ATOM 171 CG ASN A 14 1.248 1.421 -12.686 1.00 0.00 C ATOM 172 OD1 ASN A 14 1.285 0.197 -12.813 1.00 0.00 O ATOM 173 ND2 ASN A 14 2.343 2.172 -12.666 1.00 0.00 N ATOM 0 H ASN A 14 -2.539 1.862 -12.307 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.503 0.845 -10.885 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.738 1.858 -13.354 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.093 3.222 -12.633 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.261 1.737 -12.758 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.266 3.183 -12.559 1.00 0.00 H new ATOM 180 N THR A 15 -0.587 4.111 -10.321 1.00 0.00 N ATOM 181 CA THR A 15 -0.175 5.145 -9.381 1.00 0.00 C ATOM 182 C THR A 15 -0.623 4.810 -7.963 1.00 0.00 C ATOM 183 O THR A 15 0.200 4.666 -7.060 1.00 0.00 O ATOM 184 CB THR A 15 -0.743 6.522 -9.775 1.00 0.00 C ATOM 185 OG1 THR A 15 -2.130 6.401 -10.111 1.00 0.00 O ATOM 186 CG2 THR A 15 0.021 7.105 -10.954 1.00 0.00 C ATOM 0 H THR A 15 -1.136 4.453 -11.110 1.00 0.00 H new ATOM 0 HA THR A 15 0.914 5.186 -9.415 1.00 0.00 H new ATOM 0 HB THR A 15 -0.633 7.194 -8.924 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.485 7.280 -10.359 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.398 8.077 -11.214 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.071 7.222 -10.685 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.062 6.434 -11.809 1.00 0.00 H new ATOM 194 N GLU A 16 -1.934 4.686 -7.776 1.00 0.00 N ATOM 195 CA GLU A 16 -2.491 4.367 -6.466 1.00 0.00 C ATOM 196 C GLU A 16 -1.676 3.274 -5.780 1.00 0.00 C ATOM 197 O GLU A 16 -1.458 3.316 -4.569 1.00 0.00 O ATOM 198 CB GLU A 16 -3.948 3.923 -6.602 1.00 0.00 C ATOM 199 CG GLU A 16 -4.942 5.072 -6.560 1.00 0.00 C ATOM 200 CD GLU A 16 -5.432 5.368 -5.156 1.00 0.00 C ATOM 201 OE1 GLU A 16 -5.758 4.409 -4.426 1.00 0.00 O ATOM 202 OE2 GLU A 16 -5.488 6.560 -4.787 1.00 0.00 O ATOM 0 H GLU A 16 -2.629 4.801 -8.514 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.449 5.267 -5.852 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.068 3.384 -7.542 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.182 3.222 -5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.476 5.966 -6.974 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.795 4.833 -7.196 1.00 0.00 H new ATOM 209 N ASP A 17 -1.230 2.298 -6.562 1.00 0.00 N ATOM 210 CA ASP A 17 -0.439 1.194 -6.031 1.00 0.00 C ATOM 211 C ASP A 17 0.977 1.651 -5.697 1.00 0.00 C ATOM 212 O ASP A 17 1.505 1.339 -4.630 1.00 0.00 O ATOM 213 CB ASP A 17 -0.393 0.042 -7.036 1.00 0.00 C ATOM 214 CG ASP A 17 -1.573 -0.899 -6.894 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.700 -0.494 -7.248 1.00 0.00 O ATOM 216 OD2 ASP A 17 -1.370 -2.040 -6.427 1.00 0.00 O ATOM 0 H ASP A 17 -1.403 2.248 -7.566 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.915 0.847 -5.114 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.375 0.447 -8.048 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.532 -0.518 -6.900 1.00 0.00 H new ATOM 221 N GLU A 18 1.587 2.391 -6.618 1.00 0.00 N ATOM 222 CA GLU A 18 2.944 2.890 -6.421 1.00 0.00 C ATOM 223 C GLU A 18 3.038 3.719 -5.144 1.00 0.00 C ATOM 224 O GLU A 18 4.054 3.693 -4.448 1.00 0.00 O ATOM 225 CB GLU A 18 3.381 3.730 -7.622 1.00 0.00 C ATOM 226 CG GLU A 18 3.498 2.935 -8.911 1.00 0.00 C ATOM 227 CD GLU A 18 3.578 3.822 -10.139 1.00 0.00 C ATOM 228 OE1 GLU A 18 2.518 4.301 -10.595 1.00 0.00 O ATOM 229 OE2 GLU A 18 4.700 4.038 -10.642 1.00 0.00 O ATOM 0 H GLU A 18 1.164 2.658 -7.507 1.00 0.00 H new ATOM 0 HA GLU A 18 3.610 2.032 -6.326 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.666 4.539 -7.768 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.344 4.191 -7.401 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.386 2.304 -8.865 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.639 2.271 -9.003 1.00 0.00 H new ATOM 236 N ILE A 19 1.973 4.454 -4.843 1.00 0.00 N ATOM 237 CA ILE A 19 1.935 5.291 -3.650 1.00 0.00 C ATOM 238 C ILE A 19 1.887 4.442 -2.384 1.00 0.00 C ATOM 239 O ILE A 19 2.560 4.740 -1.397 1.00 0.00 O ATOM 240 CB ILE A 19 0.722 6.240 -3.665 1.00 0.00 C ATOM 241 CG1 ILE A 19 0.847 7.245 -4.812 1.00 0.00 C ATOM 242 CG2 ILE A 19 0.597 6.962 -2.332 1.00 0.00 C ATOM 243 CD1 ILE A 19 -0.484 7.750 -5.321 1.00 0.00 C ATOM 0 H ILE A 19 1.125 4.487 -5.409 1.00 0.00 H new ATOM 0 HA ILE A 19 2.849 5.884 -3.652 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.180 5.649 -3.821 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.444 8.093 -4.477 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.388 6.779 -5.635 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.265 7.629 -2.359 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.466 6.232 -1.534 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.500 7.544 -2.147 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.318 8.458 -6.133 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.076 6.911 -5.687 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.019 8.246 -4.511 1.00 0.00 H new ATOM 255 N LEU A 20 1.087 3.382 -2.420 1.00 0.00 N ATOM 256 CA LEU A 20 0.951 2.487 -1.276 1.00 0.00 C ATOM 257 C LEU A 20 2.291 1.850 -0.921 1.00 0.00 C ATOM 258 O LEU A 20 2.877 2.150 0.120 1.00 0.00 O ATOM 259 CB LEU A 20 -0.081 1.399 -1.575 1.00 0.00 C ATOM 260 CG LEU A 20 -0.454 0.487 -0.405 1.00 0.00 C ATOM 261 CD1 LEU A 20 -1.239 1.260 0.644 1.00 0.00 C ATOM 262 CD2 LEU A 20 -1.252 -0.711 -0.895 1.00 0.00 C ATOM 0 H LEU A 20 0.523 3.121 -3.229 1.00 0.00 H new ATOM 0 HA LEU A 20 0.612 3.076 -0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.989 1.878 -1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.300 0.778 -2.386 1.00 0.00 H new ATOM 0 HG LEU A 20 0.465 0.122 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.496 0.596 1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.632 2.085 1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.152 1.654 0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.508 -1.348 -0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.166 -0.366 -1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.655 -1.279 -1.609 1.00 0.00 H new ATOM 274 N LYS A 21 2.771 0.971 -1.793 1.00 0.00 N ATOM 275 CA LYS A 21 4.044 0.293 -1.575 1.00 0.00 C ATOM 276 C LYS A 21 5.033 1.209 -0.861 1.00 0.00 C ATOM 277 O LYS A 21 5.542 0.875 0.208 1.00 0.00 O ATOM 278 CB LYS A 21 4.634 -0.170 -2.909 1.00 0.00 C ATOM 279 CG LYS A 21 4.200 -1.569 -3.313 1.00 0.00 C ATOM 280 CD LYS A 21 2.936 -1.539 -4.156 1.00 0.00 C ATOM 281 CE LYS A 21 3.233 -1.132 -5.591 1.00 0.00 C ATOM 282 NZ LYS A 21 3.832 -2.250 -6.372 1.00 0.00 N ATOM 0 H LYS A 21 2.298 0.711 -2.658 1.00 0.00 H new ATOM 0 HA LYS A 21 3.860 -0.577 -0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.341 0.532 -3.690 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.722 -0.140 -2.846 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.001 -2.052 -3.873 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.029 -2.170 -2.420 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.467 -2.523 -4.145 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.222 -0.841 -3.719 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.312 -0.804 -6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.914 -0.281 -5.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.549 -1.873 -7.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.277 -2.928 -5.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.088 -2.731 -6.917 1.00 0.00 H new ATOM 296 N ALA A 22 5.299 2.366 -1.459 1.00 0.00 N ATOM 297 CA ALA A 22 6.223 3.331 -0.877 1.00 0.00 C ATOM 298 C ALA A 22 5.818 3.691 0.548 1.00 0.00 C ATOM 299 O ALA A 22 6.555 3.429 1.498 1.00 0.00 O ATOM 300 CB ALA A 22 6.291 4.583 -1.740 1.00 0.00 C ATOM 0 H ALA A 22 4.888 2.657 -2.346 1.00 0.00 H new ATOM 0 HA ALA A 22 7.211 2.873 -0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.985 5.295 -1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.636 4.318 -2.739 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.301 5.034 -1.806 1.00 0.00 H new ATOM 306 N ALA A 23 4.641 4.292 0.690 1.00 0.00 N ATOM 307 CA ALA A 23 4.137 4.686 1.999 1.00 0.00 C ATOM 308 C ALA A 23 4.334 3.572 3.021 1.00 0.00 C ATOM 309 O ALA A 23 4.909 3.789 4.088 1.00 0.00 O ATOM 310 CB ALA A 23 2.667 5.066 1.907 1.00 0.00 C ATOM 0 H ALA A 23 4.019 4.517 -0.086 1.00 0.00 H new ATOM 0 HA ALA A 23 4.705 5.555 2.333 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.304 5.358 2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.549 5.900 1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.092 4.212 1.547 1.00 0.00 H new ATOM 316 N VAL A 24 3.853 2.378 2.689 1.00 0.00 N ATOM 317 CA VAL A 24 3.977 1.229 3.578 1.00 0.00 C ATOM 318 C VAL A 24 5.416 1.051 4.049 1.00 0.00 C ATOM 319 O VAL A 24 5.662 0.597 5.166 1.00 0.00 O ATOM 320 CB VAL A 24 3.510 -0.067 2.888 1.00 0.00 C ATOM 321 CG1 VAL A 24 3.781 -1.271 3.777 1.00 0.00 C ATOM 322 CG2 VAL A 24 2.034 0.022 2.531 1.00 0.00 C ATOM 0 H VAL A 24 3.374 2.181 1.810 1.00 0.00 H new ATOM 0 HA VAL A 24 3.338 1.424 4.439 1.00 0.00 H new ATOM 0 HB VAL A 24 4.076 -0.192 1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.445 -2.178 3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.850 -1.342 3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.242 -1.157 4.718 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.721 -0.902 2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.449 0.171 3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.873 0.861 1.854 1.00 0.00 H new ATOM 332 N MET A 25 6.363 1.413 3.190 1.00 0.00 N ATOM 333 CA MET A 25 7.779 1.295 3.519 1.00 0.00 C ATOM 334 C MET A 25 8.217 2.423 4.447 1.00 0.00 C ATOM 335 O MET A 25 9.036 2.221 5.344 1.00 0.00 O ATOM 336 CB MET A 25 8.624 1.311 2.244 1.00 0.00 C ATOM 337 CG MET A 25 8.367 0.123 1.330 1.00 0.00 C ATOM 338 SD MET A 25 9.162 -1.386 1.913 1.00 0.00 S ATOM 339 CE MET A 25 7.896 -2.599 1.544 1.00 0.00 C ATOM 0 H MET A 25 6.176 1.790 2.261 1.00 0.00 H new ATOM 0 HA MET A 25 7.929 0.346 4.034 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.422 2.231 1.696 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.679 1.327 2.517 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.293 -0.044 1.251 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.728 0.356 0.328 1.00 0.00 H new ATOM 0 HE1 MET A 25 8.240 -3.588 1.848 1.00 0.00 H new ATOM 0 HE2 MET A 25 6.984 -2.349 2.086 1.00 0.00 H new ATOM 0 HE3 MET A 25 7.693 -2.599 0.473 1.00 0.00 H new ATOM 349 N LYS A 26 7.667 3.612 4.227 1.00 0.00 N ATOM 350 CA LYS A 26 7.999 4.773 5.044 1.00 0.00 C ATOM 351 C LYS A 26 7.274 4.721 6.384 1.00 0.00 C ATOM 352 O LYS A 26 7.904 4.646 7.439 1.00 0.00 O ATOM 353 CB LYS A 26 7.636 6.063 4.305 1.00 0.00 C ATOM 354 CG LYS A 26 7.721 7.306 5.174 1.00 0.00 C ATOM 355 CD LYS A 26 7.213 8.536 4.440 1.00 0.00 C ATOM 356 CE LYS A 26 6.731 9.604 5.409 1.00 0.00 C ATOM 357 NZ LYS A 26 7.863 10.258 6.121 1.00 0.00 N ATOM 0 H LYS A 26 6.988 3.797 3.489 1.00 0.00 H new ATOM 0 HA LYS A 26 9.073 4.759 5.232 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.301 6.182 3.450 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.624 5.974 3.911 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.137 7.156 6.082 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.754 7.466 5.482 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.008 8.942 3.815 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.398 8.253 3.774 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.160 10.357 4.865 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.055 9.156 6.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.493 10.980 6.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.393 9.544 6.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.495 10.708 5.429 1.00 0.00 H new ATOM 371 N TYR A 27 5.947 4.760 6.336 1.00 0.00 N ATOM 372 CA TYR A 27 5.136 4.719 7.547 1.00 0.00 C ATOM 373 C TYR A 27 5.176 3.332 8.181 1.00 0.00 C ATOM 374 O TYR A 27 5.061 3.190 9.398 1.00 0.00 O ATOM 375 CB TYR A 27 3.690 5.105 7.231 1.00 0.00 C ATOM 376 CG TYR A 27 3.555 6.467 6.587 1.00 0.00 C ATOM 377 CD1 TYR A 27 3.696 6.624 5.214 1.00 0.00 C ATOM 378 CD2 TYR A 27 3.284 7.595 7.351 1.00 0.00 C ATOM 379 CE1 TYR A 27 3.574 7.866 4.621 1.00 0.00 C ATOM 380 CE2 TYR A 27 3.158 8.840 6.767 1.00 0.00 C ATOM 381 CZ TYR A 27 3.305 8.971 5.402 1.00 0.00 C ATOM 382 OH TYR A 27 3.181 10.210 4.815 1.00 0.00 O ATOM 0 H TYR A 27 5.410 4.820 5.471 1.00 0.00 H new ATOM 0 HA TYR A 27 5.550 5.436 8.256 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.259 4.355 6.569 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.108 5.089 8.153 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.905 5.761 4.600 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.170 7.497 8.420 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.689 7.971 3.552 1.00 0.00 H new ATOM 0 HE2 TYR A 27 2.946 9.706 7.376 1.00 0.00 H new ATOM 0 HH TYR A 27 2.990 10.881 5.504 1.00 0.00 H new ATOM 392 N GLY A 28 5.341 2.310 7.346 1.00 0.00 N ATOM 393 CA GLY A 28 5.395 0.948 7.843 1.00 0.00 C ATOM 394 C GLY A 28 4.078 0.216 7.670 1.00 0.00 C ATOM 395 O GLY A 28 3.064 0.820 7.321 1.00 0.00 O ATOM 0 H GLY A 28 5.438 2.401 6.335 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.181 0.404 7.319 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.665 0.960 8.899 1.00 0.00 H new ATOM 399 N LYS A 29 4.094 -1.091 7.912 1.00 0.00 N ATOM 400 CA LYS A 29 2.893 -1.908 7.780 1.00 0.00 C ATOM 401 C LYS A 29 2.052 -1.848 9.052 1.00 0.00 C ATOM 402 O LYS A 29 1.463 -2.845 9.465 1.00 0.00 O ATOM 403 CB LYS A 29 3.270 -3.359 7.473 1.00 0.00 C ATOM 404 CG LYS A 29 3.810 -3.563 6.068 1.00 0.00 C ATOM 405 CD LYS A 29 4.528 -4.895 5.935 1.00 0.00 C ATOM 406 CE LYS A 29 5.392 -4.940 4.684 1.00 0.00 C ATOM 407 NZ LYS A 29 6.771 -4.442 4.945 1.00 0.00 N ATOM 0 H LYS A 29 4.925 -1.607 8.200 1.00 0.00 H new ATOM 0 HA LYS A 29 2.302 -1.510 6.955 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.018 -3.691 8.193 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.392 -3.991 7.611 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.990 -3.518 5.352 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.495 -2.753 5.819 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.150 -5.064 6.814 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.796 -5.702 5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.440 -5.963 4.312 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.930 -4.338 3.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.329 -4.489 4.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.728 -3.457 5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.221 -5.032 5.673 1.00 0.00 H new ATOM 421 N ASN A 30 2.001 -0.670 9.667 1.00 0.00 N ATOM 422 CA ASN A 30 1.232 -0.481 10.891 1.00 0.00 C ATOM 423 C ASN A 30 0.330 0.745 10.782 1.00 0.00 C ATOM 424 O ASN A 30 -0.753 0.784 11.367 1.00 0.00 O ATOM 425 CB ASN A 30 2.170 -0.332 12.090 1.00 0.00 C ATOM 426 CG ASN A 30 3.232 0.728 11.866 1.00 0.00 C ATOM 427 OD1 ASN A 30 3.853 0.785 10.804 1.00 0.00 O ATOM 428 ND2 ASN A 30 3.444 1.574 12.867 1.00 0.00 N ATOM 0 H ASN A 30 2.483 0.167 9.338 1.00 0.00 H new ATOM 0 HA ASN A 30 0.605 -1.361 11.036 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.587 -0.077 12.975 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.652 -1.289 12.292 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.145 2.309 12.774 1.00 0.00 H new ATOM 0 HD22 ASN A 30 2.906 1.489 13.729 1.00 0.00 H new ATOM 435 N GLN A 31 0.783 1.742 10.029 1.00 0.00 N ATOM 436 CA GLN A 31 0.017 2.968 9.844 1.00 0.00 C ATOM 437 C GLN A 31 -0.931 2.843 8.656 1.00 0.00 C ATOM 438 O GLN A 31 -1.131 3.798 7.906 1.00 0.00 O ATOM 439 CB GLN A 31 0.958 4.156 9.638 1.00 0.00 C ATOM 440 CG GLN A 31 1.951 4.350 10.772 1.00 0.00 C ATOM 441 CD GLN A 31 2.348 5.801 10.959 1.00 0.00 C ATOM 442 OE1 GLN A 31 1.532 6.634 11.353 1.00 0.00 O ATOM 443 NE2 GLN A 31 3.608 6.111 10.675 1.00 0.00 N ATOM 0 H GLN A 31 1.677 1.725 9.537 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.576 3.135 10.743 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.506 4.017 8.706 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.365 5.064 9.527 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.517 3.974 11.698 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.843 3.756 10.574 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.251 5.388 10.351 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.933 7.072 10.781 1.00 0.00 H new ATOM 452 N TRP A 32 -1.512 1.660 8.491 1.00 0.00 N ATOM 453 CA TRP A 32 -2.439 1.410 7.393 1.00 0.00 C ATOM 454 C TRP A 32 -3.494 2.508 7.311 1.00 0.00 C ATOM 455 O TRP A 32 -3.870 2.939 6.221 1.00 0.00 O ATOM 456 CB TRP A 32 -3.115 0.049 7.568 1.00 0.00 C ATOM 457 CG TRP A 32 -2.199 -1.107 7.303 1.00 0.00 C ATOM 458 CD1 TRP A 32 -1.877 -2.114 8.168 1.00 0.00 C ATOM 459 CD2 TRP A 32 -1.485 -1.374 6.091 1.00 0.00 C ATOM 460 NE1 TRP A 32 -1.007 -2.991 7.567 1.00 0.00 N ATOM 461 CE2 TRP A 32 -0.751 -2.560 6.292 1.00 0.00 C ATOM 462 CE3 TRP A 32 -1.396 -0.729 4.854 1.00 0.00 C ATOM 463 CZ2 TRP A 32 0.060 -3.110 5.303 1.00 0.00 C ATOM 464 CZ3 TRP A 32 -0.591 -1.276 3.874 1.00 0.00 C ATOM 465 CH2 TRP A 32 0.128 -2.457 4.102 1.00 0.00 C ATOM 0 H TRP A 32 -1.358 0.859 9.103 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.870 1.408 6.463 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -3.502 -0.029 8.584 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.971 -0.013 6.896 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.252 -2.207 9.177 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -0.615 -3.827 8.000 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -1.947 0.181 4.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.616 -4.020 5.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.514 -0.785 2.915 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.748 -2.860 3.315 1.00 0.00 H new ATOM 476 N SER A 33 -3.966 2.957 8.469 1.00 0.00 N ATOM 477 CA SER A 33 -4.981 4.003 8.527 1.00 0.00 C ATOM 478 C SER A 33 -4.462 5.298 7.910 1.00 0.00 C ATOM 479 O SER A 33 -5.140 5.927 7.098 1.00 0.00 O ATOM 480 CB SER A 33 -5.407 4.250 9.976 1.00 0.00 C ATOM 481 OG SER A 33 -6.417 5.240 10.048 1.00 0.00 O ATOM 0 H SER A 33 -3.662 2.613 9.380 1.00 0.00 H new ATOM 0 HA SER A 33 -5.845 3.668 7.954 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.772 3.321 10.415 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.544 4.563 10.564 1.00 0.00 H new ATOM 0 HG SER A 33 -6.673 5.379 10.984 1.00 0.00 H new ATOM 487 N ARG A 34 -3.254 5.690 8.302 1.00 0.00 N ATOM 488 CA ARG A 34 -2.643 6.911 7.789 1.00 0.00 C ATOM 489 C ARG A 34 -2.337 6.781 6.300 1.00 0.00 C ATOM 490 O ARG A 34 -2.568 7.710 5.526 1.00 0.00 O ATOM 491 CB ARG A 34 -1.360 7.226 8.559 1.00 0.00 C ATOM 492 CG ARG A 34 -0.977 8.697 8.528 1.00 0.00 C ATOM 493 CD ARG A 34 0.492 8.898 8.864 1.00 0.00 C ATOM 494 NE ARG A 34 0.851 10.312 8.927 1.00 0.00 N ATOM 495 CZ ARG A 34 2.034 10.752 9.341 1.00 0.00 C ATOM 496 NH1 ARG A 34 2.968 9.892 9.725 1.00 0.00 N ATOM 497 NH2 ARG A 34 2.286 12.055 9.369 1.00 0.00 N ATOM 0 H ARG A 34 -2.679 5.180 8.973 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.351 7.728 7.927 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.482 6.913 9.596 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.542 6.637 8.143 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.185 9.107 7.540 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.593 9.249 9.238 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.713 8.425 9.821 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.107 8.401 8.113 1.00 0.00 H new ATOM 0 HE ARG A 34 0.155 10.999 8.637 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.779 8.890 9.703 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.876 10.233 10.042 1.00 0.00 H new ATOM 0 HH21 ARG A 34 1.571 12.719 9.072 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.195 12.392 9.687 1.00 0.00 H new ATOM 511 N ILE A 35 -1.816 5.623 5.907 1.00 0.00 N ATOM 512 CA ILE A 35 -1.479 5.373 4.511 1.00 0.00 C ATOM 513 C ILE A 35 -2.690 5.581 3.607 1.00 0.00 C ATOM 514 O ILE A 35 -2.571 6.124 2.509 1.00 0.00 O ATOM 515 CB ILE A 35 -0.942 3.943 4.310 1.00 0.00 C ATOM 516 CG1 ILE A 35 0.373 3.758 5.069 1.00 0.00 C ATOM 517 CG2 ILE A 35 -0.750 3.653 2.829 1.00 0.00 C ATOM 518 CD1 ILE A 35 0.794 2.311 5.204 1.00 0.00 C ATOM 0 H ILE A 35 -1.618 4.844 6.535 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.701 6.087 4.241 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.672 3.237 4.707 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.160 4.311 4.556 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.274 4.193 6.063 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.370 2.639 2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.705 3.750 2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.037 4.362 2.409 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.734 2.255 5.753 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.026 1.757 5.744 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.926 1.876 4.213 1.00 0.00 H new ATOM 530 N ALA A 36 -3.854 5.147 4.078 1.00 0.00 N ATOM 531 CA ALA A 36 -5.088 5.289 3.314 1.00 0.00 C ATOM 532 C ALA A 36 -5.376 6.754 3.004 1.00 0.00 C ATOM 533 O ALA A 36 -5.757 7.098 1.886 1.00 0.00 O ATOM 534 CB ALA A 36 -6.252 4.669 4.072 1.00 0.00 C ATOM 0 H ALA A 36 -3.969 4.694 4.985 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.963 4.762 2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.167 4.782 3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.056 3.610 4.237 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.369 5.170 5.033 1.00 0.00 H new ATOM 540 N SER A 37 -5.192 7.612 4.002 1.00 0.00 N ATOM 541 CA SER A 37 -5.437 9.040 3.837 1.00 0.00 C ATOM 542 C SER A 37 -4.755 9.566 2.578 1.00 0.00 C ATOM 543 O SER A 37 -5.331 10.359 1.831 1.00 0.00 O ATOM 544 CB SER A 37 -4.936 9.810 5.061 1.00 0.00 C ATOM 545 OG SER A 37 -5.733 9.531 6.200 1.00 0.00 O ATOM 0 H SER A 37 -4.874 7.343 4.933 1.00 0.00 H new ATOM 0 HA SER A 37 -6.512 9.190 3.737 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.899 9.542 5.264 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.954 10.880 4.854 1.00 0.00 H new ATOM 0 HG SER A 37 -5.392 10.033 6.969 1.00 0.00 H new ATOM 551 N LEU A 38 -3.526 9.119 2.348 1.00 0.00 N ATOM 552 CA LEU A 38 -2.763 9.544 1.179 1.00 0.00 C ATOM 553 C LEU A 38 -3.543 9.279 -0.105 1.00 0.00 C ATOM 554 O LEU A 38 -3.576 10.117 -1.008 1.00 0.00 O ATOM 555 CB LEU A 38 -1.418 8.816 1.131 1.00 0.00 C ATOM 556 CG LEU A 38 -0.577 8.877 2.406 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.522 7.827 2.371 1.00 0.00 C ATOM 558 CD2 LEU A 38 0.017 10.267 2.587 1.00 0.00 C ATOM 0 H LEU A 38 -3.036 8.462 2.955 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.586 10.616 1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.603 7.769 0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.831 9.232 0.312 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.225 8.667 3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.110 7.885 3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.076 6.836 2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.169 8.006 1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.613 10.292 3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.651 10.506 1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.787 11.000 2.658 1.00 0.00 H new ATOM 570 N LEU A 39 -4.172 8.111 -0.179 1.00 0.00 N ATOM 571 CA LEU A 39 -4.954 7.737 -1.352 1.00 0.00 C ATOM 572 C LEU A 39 -6.413 8.150 -1.188 1.00 0.00 C ATOM 573 O LEU A 39 -7.066 7.788 -0.208 1.00 0.00 O ATOM 574 CB LEU A 39 -4.864 6.229 -1.590 1.00 0.00 C ATOM 575 CG LEU A 39 -3.453 5.639 -1.629 1.00 0.00 C ATOM 576 CD1 LEU A 39 -3.474 4.178 -1.208 1.00 0.00 C ATOM 577 CD2 LEU A 39 -2.851 5.788 -3.018 1.00 0.00 C ATOM 0 H LEU A 39 -4.156 7.407 0.559 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.542 8.260 -2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.426 5.723 -0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.358 6.000 -2.534 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.830 6.190 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.462 3.775 -1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.863 4.097 -0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.112 3.613 -1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.847 5.363 -3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.474 5.264 -3.743 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.800 6.845 -3.281 1.00 0.00 H new ATOM 589 N HIS A 40 -6.920 8.910 -2.154 1.00 0.00 N ATOM 590 CA HIS A 40 -8.304 9.370 -2.118 1.00 0.00 C ATOM 591 C HIS A 40 -9.269 8.212 -2.353 1.00 0.00 C ATOM 592 O HIS A 40 -9.070 7.400 -3.257 1.00 0.00 O ATOM 593 CB HIS A 40 -8.529 10.458 -3.168 1.00 0.00 C ATOM 594 CG HIS A 40 -9.792 11.236 -2.963 1.00 0.00 C ATOM 595 ND1 HIS A 40 -10.910 11.326 -3.722 1.00 0.00 N flip ATOM 596 CD2 HIS A 40 -10.008 12.047 -1.869 1.00 0.00 C flip ATOM 597 CE1 HIS A 40 -11.772 12.180 -3.078 1.00 0.00 C flip ATOM 598 NE2 HIS A 40 -11.203 12.600 -1.962 1.00 0.00 N flip ATOM 0 H HIS A 40 -6.394 9.220 -2.971 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.497 9.785 -1.129 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.683 11.145 -3.155 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.551 9.999 -4.156 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.308 12.205 -1.062 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.754 12.462 -3.427 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -11.617 13.243 -1.287 1.00 0.00 H new ATOM 607 N ARG A 41 -10.312 8.141 -1.533 1.00 0.00 N ATOM 608 CA ARG A 41 -11.306 7.081 -1.651 1.00 0.00 C ATOM 609 C ARG A 41 -10.700 5.726 -1.297 1.00 0.00 C ATOM 610 O ARG A 41 -10.942 4.728 -1.977 1.00 0.00 O ATOM 611 CB ARG A 41 -11.875 7.041 -3.071 1.00 0.00 C ATOM 612 CG ARG A 41 -12.368 8.391 -3.567 1.00 0.00 C ATOM 613 CD ARG A 41 -13.834 8.608 -3.226 1.00 0.00 C ATOM 614 NE ARG A 41 -14.715 7.786 -4.051 1.00 0.00 N ATOM 615 CZ ARG A 41 -15.113 8.130 -5.271 1.00 0.00 C ATOM 616 NH1 ARG A 41 -14.709 9.275 -5.805 1.00 0.00 N ATOM 617 NH2 ARG A 41 -15.915 7.329 -5.959 1.00 0.00 N ATOM 0 H ARG A 41 -10.491 8.805 -0.780 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.113 7.294 -0.949 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.107 6.672 -3.751 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.699 6.328 -3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.768 9.185 -3.121 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.231 8.456 -4.646 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.000 8.374 -2.174 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.086 9.660 -3.363 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.043 6.899 -3.670 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.092 9.893 -5.279 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.016 9.537 -6.742 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.227 6.447 -5.552 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.220 7.594 -6.896 1.00 0.00 H new ATOM 631 N LYS A 42 -9.910 5.698 -0.229 1.00 0.00 N ATOM 632 CA LYS A 42 -9.269 4.466 0.217 1.00 0.00 C ATOM 633 C LYS A 42 -9.263 4.377 1.740 1.00 0.00 C ATOM 634 O LYS A 42 -8.988 5.360 2.428 1.00 0.00 O ATOM 635 CB LYS A 42 -7.836 4.391 -0.314 1.00 0.00 C ATOM 636 CG LYS A 42 -7.753 4.072 -1.797 1.00 0.00 C ATOM 637 CD LYS A 42 -8.134 2.629 -2.079 1.00 0.00 C ATOM 638 CE LYS A 42 -8.512 2.427 -3.539 1.00 0.00 C ATOM 639 NZ LYS A 42 -9.963 2.663 -3.774 1.00 0.00 N ATOM 0 H LYS A 42 -9.698 6.515 0.344 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.840 3.625 -0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.338 5.342 -0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.290 3.630 0.244 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.414 4.739 -2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.740 4.258 -2.154 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.300 1.975 -1.824 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.971 2.341 -1.442 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.928 3.104 -4.162 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.255 1.412 -3.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.228 2.292 -4.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.517 2.178 -3.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.159 3.684 -3.738 1.00 0.00 H new ATOM 653 N SER A 43 -9.568 3.192 2.260 1.00 0.00 N ATOM 654 CA SER A 43 -9.600 2.975 3.701 1.00 0.00 C ATOM 655 C SER A 43 -8.587 1.911 4.113 1.00 0.00 C ATOM 656 O SER A 43 -8.152 1.102 3.294 1.00 0.00 O ATOM 657 CB SER A 43 -11.003 2.558 4.145 1.00 0.00 C ATOM 658 OG SER A 43 -11.048 2.323 5.541 1.00 0.00 O ATOM 0 H SER A 43 -9.796 2.368 1.704 1.00 0.00 H new ATOM 0 HA SER A 43 -9.336 3.913 4.190 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.718 3.337 3.881 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.303 1.656 3.612 1.00 0.00 H new ATOM 0 HG SER A 43 -11.956 2.060 5.799 1.00 0.00 H new ATOM 664 N ALA A 44 -8.216 1.919 5.389 1.00 0.00 N ATOM 665 CA ALA A 44 -7.256 0.954 5.912 1.00 0.00 C ATOM 666 C ALA A 44 -7.547 -0.448 5.388 1.00 0.00 C ATOM 667 O ALA A 44 -6.633 -1.188 5.023 1.00 0.00 O ATOM 668 CB ALA A 44 -7.272 0.965 7.433 1.00 0.00 C ATOM 0 H ALA A 44 -8.566 2.583 6.080 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.263 1.243 5.568 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.551 0.240 7.810 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.008 1.960 7.792 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.269 0.703 7.788 1.00 0.00 H new ATOM 674 N LYS A 45 -8.825 -0.809 5.352 1.00 0.00 N ATOM 675 CA LYS A 45 -9.237 -2.122 4.873 1.00 0.00 C ATOM 676 C LYS A 45 -8.721 -2.372 3.459 1.00 0.00 C ATOM 677 O LYS A 45 -8.110 -3.404 3.186 1.00 0.00 O ATOM 678 CB LYS A 45 -10.763 -2.242 4.898 1.00 0.00 C ATOM 679 CG LYS A 45 -11.260 -3.676 4.946 1.00 0.00 C ATOM 680 CD LYS A 45 -11.279 -4.306 3.563 1.00 0.00 C ATOM 681 CE LYS A 45 -11.295 -5.825 3.643 1.00 0.00 C ATOM 682 NZ LYS A 45 -11.307 -6.451 2.292 1.00 0.00 N ATOM 0 H LYS A 45 -9.594 -0.209 5.650 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.808 -2.873 5.536 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.147 -1.704 5.765 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.172 -1.754 4.013 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.620 -4.262 5.605 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.263 -3.700 5.372 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.156 -3.960 3.016 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.404 -3.979 3.001 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.420 -6.169 4.195 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.173 -6.150 4.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.266 -7.486 2.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.180 -6.184 1.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.483 -6.121 1.749 1.00 0.00 H new ATOM 696 N GLN A 46 -8.970 -1.419 2.566 1.00 0.00 N ATOM 697 CA GLN A 46 -8.529 -1.537 1.181 1.00 0.00 C ATOM 698 C GLN A 46 -7.007 -1.588 1.097 1.00 0.00 C ATOM 699 O GLN A 46 -6.443 -2.400 0.363 1.00 0.00 O ATOM 700 CB GLN A 46 -9.058 -0.364 0.354 1.00 0.00 C ATOM 701 CG GLN A 46 -10.514 -0.517 -0.056 1.00 0.00 C ATOM 702 CD GLN A 46 -10.839 0.218 -1.341 1.00 0.00 C ATOM 703 OE1 GLN A 46 -11.035 1.434 -1.342 1.00 0.00 O ATOM 704 NE2 GLN A 46 -10.898 -0.517 -2.445 1.00 0.00 N ATOM 0 H GLN A 46 -9.474 -0.558 2.777 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.928 -2.467 0.777 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.946 0.555 0.929 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.446 -0.256 -0.542 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.743 -1.575 -0.179 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.154 -0.143 0.744 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.729 -1.522 -2.398 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.113 -0.077 -3.340 1.00 0.00 H new ATOM 713 N CYS A 47 -6.348 -0.717 1.853 1.00 0.00 N ATOM 714 CA CYS A 47 -4.891 -0.661 1.863 1.00 0.00 C ATOM 715 C CYS A 47 -4.299 -1.998 2.297 1.00 0.00 C ATOM 716 O CYS A 47 -3.365 -2.507 1.676 1.00 0.00 O ATOM 717 CB CYS A 47 -4.408 0.450 2.796 1.00 0.00 C ATOM 718 SG CYS A 47 -4.698 2.120 2.167 1.00 0.00 S ATOM 0 H CYS A 47 -6.800 -0.040 2.467 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.554 -0.446 0.849 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.908 0.344 3.759 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.341 0.321 2.975 1.00 0.00 H new ATOM 0 HG CYS A 47 -3.778 2.920 2.618 1.00 0.00 H new ATOM 724 N LYS A 48 -4.847 -2.563 3.368 1.00 0.00 N ATOM 725 CA LYS A 48 -4.374 -3.841 3.886 1.00 0.00 C ATOM 726 C LYS A 48 -4.663 -4.968 2.901 1.00 0.00 C ATOM 727 O LYS A 48 -3.790 -5.781 2.600 1.00 0.00 O ATOM 728 CB LYS A 48 -5.036 -4.144 5.233 1.00 0.00 C ATOM 729 CG LYS A 48 -4.250 -5.121 6.090 1.00 0.00 C ATOM 730 CD LYS A 48 -4.481 -4.874 7.571 1.00 0.00 C ATOM 731 CE LYS A 48 -3.339 -5.424 8.413 1.00 0.00 C ATOM 732 NZ LYS A 48 -3.775 -5.736 9.802 1.00 0.00 N ATOM 0 H LYS A 48 -5.620 -2.155 3.894 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.295 -3.772 4.025 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.164 -3.212 5.783 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.032 -4.549 5.056 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.541 -6.141 5.841 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.187 -5.029 5.866 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.584 -3.804 7.751 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.417 -5.340 7.877 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.944 -6.326 7.945 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.526 -4.698 8.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.969 -6.108 10.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.128 -4.870 10.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.533 -6.448 9.776 1.00 0.00 H new ATOM 746 N ALA A 49 -5.894 -5.010 2.400 1.00 0.00 N ATOM 747 CA ALA A 49 -6.296 -6.035 1.445 1.00 0.00 C ATOM 748 C ALA A 49 -5.488 -5.932 0.156 1.00 0.00 C ATOM 749 O ALA A 49 -4.747 -6.849 -0.198 1.00 0.00 O ATOM 750 CB ALA A 49 -7.784 -5.926 1.149 1.00 0.00 C ATOM 0 H ALA A 49 -6.630 -4.346 2.640 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.096 -7.010 1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.070 -6.698 0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.349 -6.058 2.072 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.000 -4.944 0.729 1.00 0.00 H new ATOM 756 N ARG A 50 -5.637 -4.811 -0.542 1.00 0.00 N ATOM 757 CA ARG A 50 -4.923 -4.589 -1.793 1.00 0.00 C ATOM 758 C ARG A 50 -3.451 -4.967 -1.653 1.00 0.00 C ATOM 759 O ARG A 50 -2.858 -5.538 -2.568 1.00 0.00 O ATOM 760 CB ARG A 50 -5.047 -3.127 -2.224 1.00 0.00 C ATOM 761 CG ARG A 50 -4.099 -2.740 -3.347 1.00 0.00 C ATOM 762 CD ARG A 50 -4.242 -3.670 -4.542 1.00 0.00 C ATOM 763 NE ARG A 50 -3.939 -2.995 -5.801 1.00 0.00 N ATOM 764 CZ ARG A 50 -4.408 -3.391 -6.978 1.00 0.00 C ATOM 765 NH1 ARG A 50 -5.198 -4.452 -7.058 1.00 0.00 N ATOM 766 NH2 ARG A 50 -4.088 -2.724 -8.080 1.00 0.00 N ATOM 0 H ARG A 50 -6.246 -4.042 -0.262 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.372 -5.224 -2.556 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.072 -2.937 -2.543 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.857 -2.486 -1.363 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.300 -1.714 -3.657 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.072 -2.768 -2.983 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.575 -4.523 -4.419 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.258 -4.062 -4.576 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.334 -2.174 -5.775 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.447 -4.967 -6.214 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.557 -4.754 -7.964 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.481 -1.906 -8.023 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.449 -3.029 -8.984 1.00 0.00 H new ATOM 780 N TRP A 51 -2.870 -4.643 -0.504 1.00 0.00 N ATOM 781 CA TRP A 51 -1.467 -4.948 -0.245 1.00 0.00 C ATOM 782 C TRP A 51 -1.245 -6.453 -0.156 1.00 0.00 C ATOM 783 O TRP A 51 -0.694 -7.064 -1.073 1.00 0.00 O ATOM 784 CB TRP A 51 -1.008 -4.275 1.049 1.00 0.00 C ATOM 785 CG TRP A 51 0.287 -4.816 1.574 1.00 0.00 C ATOM 786 CD1 TRP A 51 0.447 -5.810 2.496 1.00 0.00 C ATOM 787 CD2 TRP A 51 1.604 -4.391 1.207 1.00 0.00 C ATOM 788 NE1 TRP A 51 1.784 -6.029 2.725 1.00 0.00 N ATOM 789 CE2 TRP A 51 2.515 -5.171 1.946 1.00 0.00 C ATOM 790 CE3 TRP A 51 2.103 -3.428 0.325 1.00 0.00 C ATOM 791 CZ2 TRP A 51 3.893 -5.017 1.829 1.00 0.00 C ATOM 792 CZ3 TRP A 51 3.472 -3.276 0.211 1.00 0.00 C ATOM 793 CH2 TRP A 51 4.354 -4.067 0.959 1.00 0.00 C ATOM 0 H TRP A 51 -3.348 -4.170 0.263 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.877 -4.561 -1.076 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.902 -3.204 0.875 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -1.780 -4.400 1.808 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.359 -6.346 2.975 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.170 -6.718 3.370 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.431 -2.814 -0.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.575 -5.626 2.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.869 -2.534 -0.467 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.419 -3.924 0.847 1.00 0.00 H new ATOM 804 N TYR A 52 -1.675 -7.046 0.952 1.00 0.00 N ATOM 805 CA TYR A 52 -1.521 -8.481 1.160 1.00 0.00 C ATOM 806 C TYR A 52 -2.096 -9.267 -0.013 1.00 0.00 C ATOM 807 O TYR A 52 -1.758 -10.432 -0.219 1.00 0.00 O ATOM 808 CB TYR A 52 -2.208 -8.906 2.459 1.00 0.00 C ATOM 809 CG TYR A 52 -1.387 -8.626 3.698 1.00 0.00 C ATOM 810 CD1 TYR A 52 -0.233 -9.351 3.969 1.00 0.00 C ATOM 811 CD2 TYR A 52 -1.765 -7.637 4.597 1.00 0.00 C ATOM 812 CE1 TYR A 52 0.520 -9.100 5.100 1.00 0.00 C ATOM 813 CE2 TYR A 52 -1.018 -7.377 5.730 1.00 0.00 C ATOM 814 CZ TYR A 52 0.123 -8.112 5.977 1.00 0.00 C ATOM 815 OH TYR A 52 0.871 -7.858 7.104 1.00 0.00 O ATOM 0 H TYR A 52 -2.133 -6.555 1.720 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.455 -8.699 1.232 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.163 -8.387 2.541 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.427 -9.973 2.412 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.081 -10.124 3.284 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.659 -7.061 4.407 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.414 -9.674 5.296 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.325 -6.603 6.418 1.00 0.00 H new ATOM 0 HH TYR A 52 0.456 -7.132 7.615 1.00 0.00 H new ATOM 825 N GLU A 53 -2.968 -8.620 -0.780 1.00 0.00 N ATOM 826 CA GLU A 53 -3.592 -9.259 -1.933 1.00 0.00 C ATOM 827 C GLU A 53 -2.556 -9.563 -3.012 1.00 0.00 C ATOM 828 O GLU A 53 -2.412 -10.707 -3.444 1.00 0.00 O ATOM 829 CB GLU A 53 -4.693 -8.364 -2.506 1.00 0.00 C ATOM 830 CG GLU A 53 -6.054 -8.590 -1.867 1.00 0.00 C ATOM 831 CD GLU A 53 -6.814 -9.738 -2.504 1.00 0.00 C ATOM 832 OE1 GLU A 53 -6.160 -10.644 -3.062 1.00 0.00 O ATOM 833 OE2 GLU A 53 -8.061 -9.730 -2.443 1.00 0.00 O ATOM 0 H GLU A 53 -3.258 -7.655 -0.624 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.034 -10.199 -1.601 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.407 -7.320 -2.374 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.771 -8.539 -3.579 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.923 -8.791 -0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.645 -7.678 -1.948 1.00 0.00 H new ATOM 840 N TRP A 54 -1.839 -8.531 -3.443 1.00 0.00 N ATOM 841 CA TRP A 54 -0.818 -8.687 -4.472 1.00 0.00 C ATOM 842 C TRP A 54 0.510 -8.092 -4.016 1.00 0.00 C ATOM 843 O TRP A 54 1.577 -8.641 -4.296 1.00 0.00 O ATOM 844 CB TRP A 54 -1.269 -8.022 -5.773 1.00 0.00 C ATOM 845 CG TRP A 54 -2.756 -8.029 -5.960 1.00 0.00 C ATOM 846 CD1 TRP A 54 -3.590 -6.948 -5.944 1.00 0.00 C ATOM 847 CD2 TRP A 54 -3.585 -9.174 -6.188 1.00 0.00 C ATOM 848 NE1 TRP A 54 -4.887 -7.351 -6.148 1.00 0.00 N ATOM 849 CE2 TRP A 54 -4.911 -8.712 -6.302 1.00 0.00 C ATOM 850 CE3 TRP A 54 -3.336 -10.544 -6.309 1.00 0.00 C ATOM 851 CZ2 TRP A 54 -5.982 -9.572 -6.530 1.00 0.00 C ATOM 852 CZ3 TRP A 54 -4.400 -11.396 -6.535 1.00 0.00 C ATOM 853 CH2 TRP A 54 -5.709 -10.908 -6.644 1.00 0.00 C ATOM 0 H TRP A 54 -1.946 -7.578 -3.096 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.676 -9.753 -4.648 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.913 -6.992 -5.788 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.802 -8.533 -6.615 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.276 -5.926 -5.793 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.701 -6.737 -6.180 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.330 -10.930 -6.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -6.992 -9.198 -6.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -4.220 -12.457 -6.629 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -6.519 -11.600 -6.822 1.00 0.00 H new ATOM 864 N LEU A 55 0.439 -6.968 -3.313 1.00 0.00 N ATOM 865 CA LEU A 55 1.636 -6.298 -2.817 1.00 0.00 C ATOM 866 C LEU A 55 2.084 -6.897 -1.488 1.00 0.00 C ATOM 867 O LEU A 55 1.658 -6.454 -0.421 1.00 0.00 O ATOM 868 CB LEU A 55 1.375 -4.800 -2.652 1.00 0.00 C ATOM 869 CG LEU A 55 0.350 -4.188 -3.608 1.00 0.00 C ATOM 870 CD1 LEU A 55 0.229 -2.690 -3.373 1.00 0.00 C ATOM 871 CD2 LEU A 55 0.731 -4.474 -5.053 1.00 0.00 C ATOM 0 H LEU A 55 -0.435 -6.501 -3.073 1.00 0.00 H new ATOM 0 HA LEU A 55 2.432 -6.443 -3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.042 -4.620 -1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.320 -4.271 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.620 -4.645 -3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.505 -2.272 -4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.091 -2.507 -2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.196 -2.216 -3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.010 -4.031 -5.719 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.711 -4.045 -5.263 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.765 -5.552 -5.214 1.00 0.00 H new ATOM 883 N ASP A 56 2.947 -7.905 -1.560 1.00 0.00 N ATOM 884 CA ASP A 56 3.456 -8.562 -0.362 1.00 0.00 C ATOM 885 C ASP A 56 4.562 -9.552 -0.714 1.00 0.00 C ATOM 886 O ASP A 56 4.490 -10.274 -1.708 1.00 0.00 O ATOM 887 CB ASP A 56 2.323 -9.284 0.370 1.00 0.00 C ATOM 888 CG ASP A 56 2.732 -9.750 1.753 1.00 0.00 C ATOM 889 OD1 ASP A 56 2.795 -8.904 2.671 1.00 0.00 O ATOM 890 OD2 ASP A 56 2.989 -10.961 1.919 1.00 0.00 O ATOM 0 H ASP A 56 3.308 -8.285 -2.435 1.00 0.00 H new ATOM 0 HA ASP A 56 3.872 -7.797 0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.465 -8.617 0.454 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.003 -10.143 -0.220 1.00 0.00 H new ATOM 895 N PRO A 57 5.613 -9.586 0.120 1.00 0.00 N ATOM 896 CA PRO A 57 6.755 -10.482 -0.083 1.00 0.00 C ATOM 897 C PRO A 57 6.394 -11.944 0.154 1.00 0.00 C ATOM 898 O PRO A 57 6.752 -12.818 -0.635 1.00 0.00 O ATOM 899 CB PRO A 57 7.770 -10.006 0.959 1.00 0.00 C ATOM 900 CG PRO A 57 6.946 -9.368 2.025 1.00 0.00 C ATOM 901 CD PRO A 57 5.766 -8.753 1.324 1.00 0.00 C ATOM 0 HA PRO A 57 7.126 -10.443 -1.107 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.353 -10.838 1.354 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.478 -9.298 0.528 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.623 -10.104 2.761 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.519 -8.612 2.561 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.871 -8.778 1.946 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.949 -7.709 1.070 1.00 0.00 H new ATOM 909 N SER A 58 5.683 -12.204 1.247 1.00 0.00 N ATOM 910 CA SER A 58 5.277 -13.561 1.591 1.00 0.00 C ATOM 911 C SER A 58 4.763 -14.302 0.360 1.00 0.00 C ATOM 912 O SER A 58 5.008 -15.497 0.194 1.00 0.00 O ATOM 913 CB SER A 58 4.195 -13.534 2.672 1.00 0.00 C ATOM 914 OG SER A 58 4.232 -14.711 3.460 1.00 0.00 O ATOM 0 H SER A 58 5.376 -11.492 1.910 1.00 0.00 H new ATOM 0 HA SER A 58 6.150 -14.089 1.974 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.335 -12.661 3.310 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.214 -13.435 2.207 1.00 0.00 H new ATOM 0 HG SER A 58 3.532 -14.668 4.145 1.00 0.00 H new ATOM 920 N ILE A 59 4.049 -13.584 -0.500 1.00 0.00 N ATOM 921 CA ILE A 59 3.502 -14.171 -1.716 1.00 0.00 C ATOM 922 C ILE A 59 4.502 -15.120 -2.367 1.00 0.00 C ATOM 923 O ILE A 59 5.701 -14.845 -2.407 1.00 0.00 O ATOM 924 CB ILE A 59 3.102 -13.088 -2.735 1.00 0.00 C ATOM 925 CG1 ILE A 59 2.047 -12.157 -2.134 1.00 0.00 C ATOM 926 CG2 ILE A 59 2.584 -13.728 -4.014 1.00 0.00 C ATOM 927 CD1 ILE A 59 1.872 -10.866 -2.903 1.00 0.00 C ATOM 0 H ILE A 59 3.836 -12.594 -0.377 1.00 0.00 H new ATOM 0 HA ILE A 59 2.612 -14.729 -1.423 1.00 0.00 H new ATOM 0 HB ILE A 59 3.985 -12.497 -2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.092 -12.680 -2.096 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.324 -11.923 -1.106 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.306 -12.949 -4.724 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.363 -14.354 -4.449 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.711 -14.341 -3.787 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.109 -10.256 -2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.816 -10.321 -2.919 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.565 -11.090 -3.925 1.00 0.00 H new ATOM 939 N LYS A 60 4.001 -16.240 -2.879 1.00 0.00 N ATOM 940 CA LYS A 60 4.849 -17.230 -3.532 1.00 0.00 C ATOM 941 C LYS A 60 4.945 -16.961 -5.030 1.00 0.00 C ATOM 942 O LYS A 60 4.849 -17.880 -5.844 1.00 0.00 O ATOM 943 CB LYS A 60 4.303 -18.639 -3.289 1.00 0.00 C ATOM 944 CG LYS A 60 4.821 -19.280 -2.014 1.00 0.00 C ATOM 945 CD LYS A 60 4.065 -20.557 -1.685 1.00 0.00 C ATOM 946 CE LYS A 60 4.693 -21.766 -2.360 1.00 0.00 C ATOM 947 NZ LYS A 60 6.076 -22.021 -1.869 1.00 0.00 N ATOM 0 H LYS A 60 3.011 -16.484 -2.854 1.00 0.00 H new ATOM 0 HA LYS A 60 5.848 -17.156 -3.103 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.215 -18.596 -3.248 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.565 -19.272 -4.137 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.883 -19.502 -2.123 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.726 -18.576 -1.187 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.054 -20.707 -0.605 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.027 -20.459 -2.004 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.075 -22.645 -2.177 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.714 -21.609 -3.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.299 -23.032 -1.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.751 -21.461 -2.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.145 -21.748 -0.868 1.00 0.00 H new ATOM 961 N LYS A 61 5.136 -15.696 -5.389 1.00 0.00 N ATOM 962 CA LYS A 61 5.248 -15.306 -6.789 1.00 0.00 C ATOM 963 C LYS A 61 6.699 -15.018 -7.160 1.00 0.00 C ATOM 964 O LYS A 61 6.990 -14.057 -7.873 1.00 0.00 O ATOM 965 CB LYS A 61 4.385 -14.073 -7.067 1.00 0.00 C ATOM 966 CG LYS A 61 3.958 -13.944 -8.519 1.00 0.00 C ATOM 967 CD LYS A 61 3.514 -12.528 -8.846 1.00 0.00 C ATOM 968 CE LYS A 61 2.026 -12.338 -8.594 1.00 0.00 C ATOM 969 NZ LYS A 61 1.606 -10.924 -8.793 1.00 0.00 N ATOM 0 H LYS A 61 5.217 -14.923 -4.729 1.00 0.00 H new ATOM 0 HA LYS A 61 4.893 -16.136 -7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.496 -14.113 -6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.939 -13.180 -6.779 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.786 -14.226 -9.169 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.143 -14.638 -8.722 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.080 -11.819 -8.241 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.738 -12.307 -9.889 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.459 -12.983 -9.265 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.788 -12.648 -7.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.586 -10.836 -8.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.129 -10.311 -8.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.810 -10.636 -9.771 1.00 0.00 H new ATOM 983 N THR A 62 7.608 -15.856 -6.671 1.00 0.00 N ATOM 984 CA THR A 62 9.028 -15.691 -6.951 1.00 0.00 C ATOM 985 C THR A 62 9.820 -16.920 -6.520 1.00 0.00 C ATOM 986 O THR A 62 9.576 -17.484 -5.454 1.00 0.00 O ATOM 987 CB THR A 62 9.601 -14.450 -6.240 1.00 0.00 C ATOM 988 OG1 THR A 62 10.971 -14.263 -6.610 1.00 0.00 O ATOM 989 CG2 THR A 62 9.493 -14.594 -4.730 1.00 0.00 C ATOM 0 H THR A 62 7.385 -16.656 -6.079 1.00 0.00 H new ATOM 0 HA THR A 62 9.124 -15.560 -8.029 1.00 0.00 H new ATOM 0 HB THR A 62 9.020 -13.581 -6.548 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.327 -13.471 -6.155 1.00 0.00 H new ATOM 0 HG21 THR A 62 9.904 -13.706 -4.250 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.446 -14.707 -4.449 1.00 0.00 H new ATOM 0 HG23 THR A 62 10.052 -15.472 -4.407 1.00 0.00 H new ATOM 997 N GLU A 63 10.770 -17.330 -7.355 1.00 0.00 N ATOM 998 CA GLU A 63 11.597 -18.494 -7.058 1.00 0.00 C ATOM 999 C GLU A 63 12.470 -18.242 -5.832 1.00 0.00 C ATOM 1000 O GLU A 63 12.355 -18.936 -4.822 1.00 0.00 O ATOM 1001 CB GLU A 63 12.477 -18.842 -8.260 1.00 0.00 C ATOM 1002 CG GLU A 63 13.380 -20.041 -8.027 1.00 0.00 C ATOM 1003 CD GLU A 63 14.579 -20.058 -8.955 1.00 0.00 C ATOM 1004 OE1 GLU A 63 14.376 -20.025 -10.186 1.00 0.00 O ATOM 1005 OE2 GLU A 63 15.720 -20.103 -8.449 1.00 0.00 O ATOM 0 H GLU A 63 10.986 -16.874 -8.241 1.00 0.00 H new ATOM 0 HA GLU A 63 10.935 -19.333 -6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.839 -19.040 -9.121 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.092 -17.978 -8.511 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.726 -20.035 -6.993 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.805 -20.957 -8.166 1.00 0.00 H new ATOM 1012 N TRP A 64 13.343 -17.245 -5.929 1.00 0.00 N ATOM 1013 CA TRP A 64 14.236 -16.902 -4.828 1.00 0.00 C ATOM 1014 C TRP A 64 13.529 -17.054 -3.486 1.00 0.00 C ATOM 1015 O TRP A 64 12.533 -16.381 -3.219 1.00 0.00 O ATOM 1016 CB TRP A 64 14.750 -15.470 -4.989 1.00 0.00 C ATOM 1017 CG TRP A 64 15.982 -15.187 -4.184 1.00 0.00 C ATOM 1018 CD1 TRP A 64 17.180 -15.838 -4.264 1.00 0.00 C ATOM 1019 CD2 TRP A 64 16.135 -14.182 -3.176 1.00 0.00 C ATOM 1020 NE1 TRP A 64 18.069 -15.297 -3.367 1.00 0.00 N ATOM 1021 CE2 TRP A 64 17.453 -14.279 -2.688 1.00 0.00 C ATOM 1022 CE3 TRP A 64 15.289 -13.208 -2.640 1.00 0.00 C ATOM 1023 CZ2 TRP A 64 17.940 -13.440 -1.689 1.00 0.00 C ATOM 1024 CZ3 TRP A 64 15.774 -12.376 -1.649 1.00 0.00 C ATOM 1025 CH2 TRP A 64 17.090 -12.495 -1.183 1.00 0.00 C ATOM 0 H TRP A 64 13.451 -16.661 -6.758 1.00 0.00 H new ATOM 0 HA TRP A 64 15.082 -17.589 -4.851 1.00 0.00 H new ATOM 0 HB2 TRP A 64 14.962 -15.284 -6.042 1.00 0.00 H new ATOM 0 HB3 TRP A 64 13.964 -14.774 -4.694 1.00 0.00 H new ATOM 0 HD1 TRP A 64 17.397 -16.657 -4.934 1.00 0.00 H new ATOM 0 HE1 TRP A 64 19.032 -15.604 -3.229 1.00 0.00 H new ATOM 0 HE3 TRP A 64 14.274 -13.107 -2.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 18.953 -13.532 -1.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 15.128 -11.621 -1.226 1.00 0.00 H new ATOM 0 HH2 TRP A 64 17.440 -11.828 -0.409 1.00 0.00 H new ATOM 1036 N SER A 65 14.050 -17.941 -2.644 1.00 0.00 N ATOM 1037 CA SER A 65 13.466 -18.183 -1.330 1.00 0.00 C ATOM 1038 C SER A 65 14.081 -17.258 -0.284 1.00 0.00 C ATOM 1039 O SER A 65 15.282 -17.311 -0.021 1.00 0.00 O ATOM 1040 CB SER A 65 13.669 -19.642 -0.920 1.00 0.00 C ATOM 1041 OG SER A 65 13.158 -19.882 0.380 1.00 0.00 O ATOM 0 H SER A 65 14.876 -18.504 -2.849 1.00 0.00 H new ATOM 0 HA SER A 65 12.398 -17.975 -1.390 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.172 -20.297 -1.636 1.00 0.00 H new ATOM 0 HB3 SER A 65 14.731 -19.887 -0.948 1.00 0.00 H new ATOM 0 HG SER A 65 13.298 -20.822 0.618 1.00 0.00 H new ATOM 1047 N GLY A 66 13.248 -16.411 0.312 1.00 0.00 N ATOM 1048 CA GLY A 66 13.726 -15.486 1.323 1.00 0.00 C ATOM 1049 C GLY A 66 13.057 -15.699 2.666 1.00 0.00 C ATOM 1050 O GLY A 66 12.060 -15.057 2.996 1.00 0.00 O ATOM 0 H GLY A 66 12.250 -16.349 0.113 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.804 -15.601 1.435 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.547 -14.464 0.989 1.00 0.00 H new ATOM 1054 N PRO A 67 13.611 -16.621 3.468 1.00 0.00 N ATOM 1055 CA PRO A 67 13.077 -16.939 4.795 1.00 0.00 C ATOM 1056 C PRO A 67 13.288 -15.804 5.792 1.00 0.00 C ATOM 1057 O PRO A 67 14.359 -15.199 5.841 1.00 0.00 O ATOM 1058 CB PRO A 67 13.879 -18.174 5.214 1.00 0.00 C ATOM 1059 CG PRO A 67 15.153 -18.075 4.449 1.00 0.00 C ATOM 1060 CD PRO A 67 14.801 -17.424 3.140 1.00 0.00 C ATOM 0 HA PRO A 67 11.999 -17.101 4.772 1.00 0.00 H new ATOM 0 HB2 PRO A 67 14.062 -18.182 6.289 1.00 0.00 H new ATOM 0 HB3 PRO A 67 13.344 -19.093 4.975 1.00 0.00 H new ATOM 0 HG2 PRO A 67 15.890 -17.484 4.993 1.00 0.00 H new ATOM 0 HG3 PRO A 67 15.590 -19.061 4.289 1.00 0.00 H new ATOM 0 HD2 PRO A 67 15.616 -16.802 2.769 1.00 0.00 H new ATOM 0 HD3 PRO A 67 14.587 -18.163 2.368 1.00 0.00 H new ATOM 1068 N SER A 68 12.260 -15.521 6.585 1.00 0.00 N ATOM 1069 CA SER A 68 12.331 -14.456 7.579 1.00 0.00 C ATOM 1070 C SER A 68 12.602 -15.026 8.968 1.00 0.00 C ATOM 1071 O SER A 68 13.580 -14.662 9.621 1.00 0.00 O ATOM 1072 CB SER A 68 11.030 -13.651 7.590 1.00 0.00 C ATOM 1073 OG SER A 68 11.124 -12.543 8.468 1.00 0.00 O ATOM 0 H SER A 68 11.368 -16.014 6.559 1.00 0.00 H new ATOM 0 HA SER A 68 13.155 -13.796 7.309 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.806 -13.302 6.582 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.204 -14.293 7.896 1.00 0.00 H new ATOM 0 HG SER A 68 10.281 -12.044 8.456 1.00 0.00 H new ATOM 1079 N SER A 69 11.728 -15.923 9.413 1.00 0.00 N ATOM 1080 CA SER A 69 11.869 -16.542 10.726 1.00 0.00 C ATOM 1081 C SER A 69 12.596 -17.879 10.620 1.00 0.00 C ATOM 1082 O SER A 69 12.711 -18.452 9.538 1.00 0.00 O ATOM 1083 CB SER A 69 10.495 -16.745 11.368 1.00 0.00 C ATOM 1084 OG SER A 69 9.621 -17.438 10.494 1.00 0.00 O ATOM 0 H SER A 69 10.915 -16.237 8.884 1.00 0.00 H new ATOM 0 HA SER A 69 12.460 -15.875 11.354 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.603 -17.304 12.297 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.064 -15.778 11.626 1.00 0.00 H new ATOM 0 HG SER A 69 8.750 -17.557 10.928 1.00 0.00 H new ATOM 1090 N GLY A 70 13.084 -18.371 11.755 1.00 0.00 N ATOM 1091 CA GLY A 70 13.794 -19.637 11.770 1.00 0.00 C ATOM 1092 C GLY A 70 15.060 -19.601 10.937 1.00 0.00 C ATOM 1093 O GLY A 70 16.146 -19.346 11.457 1.00 0.00 O ATOM 0 H GLY A 70 13.000 -17.916 12.664 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.046 -19.896 12.798 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.138 -20.423 11.395 1.00 0.00 H new TER 1097 GLY A 70