USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 821 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 29 LYS NZ :NH3+ -119:sc= 1.79 (180deg=-2.92!) USER MOD Set 1.2: A 74 CYS SG : rot -20:sc= -0.404 USER MOD Single : A 1 SER N :NH3+ 179:sc= 1.18 (180deg=1.17) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot -61:sc= -1.01 USER MOD Single : A 8 LYS NZ :NH3+ 179:sc= 0.971 (180deg=0.97) USER MOD Single : A 10 MET CE :methyl 154:sc= -0.307 (180deg=-1.15) USER MOD Single : A 11 SER OG : rot -82:sc= 1.2 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.0128 USER MOD Single : A 15 LYS NZ :NH3+ 164:sc= 1.07 (180deg=0.481) USER MOD Single : A 17 GLN : amide:sc= 0.64 K(o=0.64,f=-5.8!) USER MOD Single : A 19 SER OG : rot -43:sc= 0.307 USER MOD Single : A 23 ASN : amide:sc= -0.0112 X(o=-0.011,f=-0.056) USER MOD Single : A 24 LYS NZ :NH3+ -172:sc=-0.00989 (180deg=-0.128) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -1.17 K(o=-1.2,f=-3.9!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0716 X(o=-0.072,f=-0.11) USER MOD Single : A 47 SER OG : rot 89:sc= 0.976 USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 58 THR OG1 : rot 65:sc= -0.2! USER MOD Single : A 60 LYS NZ :NH3+ -172:sc= 1.82 (180deg=1.7) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0497 USER MOD Single : A 63 THR OG1 : rot 154:sc= -0.544! USER MOD Single : A 70 TYR OH : rot 166:sc= 0.815 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0866 USER MOD Single : A 73 SER OG : rot -50:sc= 1.31 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.153 F(o=-1,f=-0.15) USER MOD Single : B 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 205 LYS NZ :NH3+ -154:sc= -0.0136 (180deg=-1.87!) USER MOD Single : B 207 THR OG1 : rot 44:sc= 0.137 USER MOD Single : B 208 LYS NZ :NH3+ 175:sc= 0.266! (180deg=0.0424!) USER MOD Single : B 209 THR OG1 : rot 6:sc= 1.11 USER MOD Single : B 211 GLN : amide:sc= -1.77! C(o=-1.8!,f=-6.9!) USER MOD Single : B 212 ASN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -14.720 -6.958 -13.496 1.00 0.00 N ATOM 2 CA SER A 1 -16.072 -7.116 -12.927 1.00 0.00 C ATOM 3 C SER A 1 -16.420 -5.932 -12.019 1.00 0.00 C ATOM 4 O SER A 1 -15.762 -4.892 -12.079 1.00 0.00 O ATOM 5 CB SER A 1 -16.161 -8.449 -12.162 1.00 0.00 C ATOM 6 OG SER A 1 -16.205 -9.545 -13.060 1.00 0.00 O ATOM 0 H1 SER A 1 -14.497 -7.779 -14.095 1.00 0.00 H new ATOM 0 H2 SER A 1 -14.684 -6.091 -14.070 1.00 0.00 H new ATOM 0 H3 SER A 1 -14.025 -6.892 -12.725 1.00 0.00 H new ATOM 0 HA SER A 1 -16.800 -7.132 -13.738 1.00 0.00 H new ATOM 0 HB2 SER A 1 -15.302 -8.551 -11.499 1.00 0.00 H new ATOM 0 HB3 SER A 1 -17.051 -8.453 -11.533 1.00 0.00 H new ATOM 0 HG SER A 1 -16.260 -10.382 -12.553 1.00 0.00 H new ATOM 14 N GLU A 2 -17.437 -6.081 -11.179 1.00 0.00 N ATOM 15 CA GLU A 2 -17.932 -4.963 -10.388 1.00 0.00 C ATOM 16 C GLU A 2 -17.172 -4.797 -9.069 1.00 0.00 C ATOM 17 O GLU A 2 -16.764 -3.689 -8.728 1.00 0.00 O ATOM 18 CB GLU A 2 -19.443 -5.102 -10.121 1.00 0.00 C ATOM 19 CG GLU A 2 -19.874 -6.440 -9.522 1.00 0.00 C ATOM 20 CD GLU A 2 -19.889 -7.572 -10.532 1.00 0.00 C ATOM 21 OE1 GLU A 2 -20.910 -7.748 -11.226 1.00 0.00 O ATOM 22 OE2 GLU A 2 -18.874 -8.286 -10.641 1.00 0.00 O ATOM 0 H GLU A 2 -17.932 -6.960 -11.029 1.00 0.00 H new ATOM 0 HA GLU A 2 -17.759 -4.063 -10.978 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -19.752 -4.303 -9.447 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -19.977 -4.952 -11.059 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -19.199 -6.699 -8.706 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -20.869 -6.334 -9.091 1.00 0.00 H new ATOM 29 N GLU A 3 -16.937 -5.896 -8.359 1.00 0.00 N ATOM 30 CA GLU A 3 -16.417 -5.824 -6.989 1.00 0.00 C ATOM 31 C GLU A 3 -14.971 -5.337 -6.926 1.00 0.00 C ATOM 32 O GLU A 3 -14.460 -5.058 -5.844 1.00 0.00 O ATOM 33 CB GLU A 3 -16.536 -7.177 -6.282 1.00 0.00 C ATOM 34 CG GLU A 3 -17.960 -7.541 -5.882 1.00 0.00 C ATOM 35 CD GLU A 3 -18.607 -6.486 -5.008 1.00 0.00 C ATOM 36 OE1 GLU A 3 -18.147 -6.289 -3.862 1.00 0.00 O ATOM 37 OE2 GLU A 3 -19.583 -5.852 -5.458 1.00 0.00 O ATOM 0 H GLU A 3 -17.096 -6.843 -8.703 1.00 0.00 H new ATOM 0 HA GLU A 3 -17.034 -5.088 -6.473 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -16.143 -7.954 -6.938 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.910 -7.166 -5.390 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -18.561 -7.682 -6.780 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -17.952 -8.493 -5.351 1.00 0.00 H new ATOM 44 N GLU A 4 -14.309 -5.241 -8.069 1.00 0.00 N ATOM 45 CA GLU A 4 -12.942 -4.728 -8.097 1.00 0.00 C ATOM 46 C GLU A 4 -12.949 -3.198 -8.120 1.00 0.00 C ATOM 47 O GLU A 4 -12.113 -2.554 -7.485 1.00 0.00 O ATOM 48 CB GLU A 4 -12.159 -5.292 -9.296 1.00 0.00 C ATOM 49 CG GLU A 4 -12.767 -4.947 -10.646 1.00 0.00 C ATOM 50 CD GLU A 4 -11.984 -5.530 -11.802 1.00 0.00 C ATOM 51 OE1 GLU A 4 -10.960 -4.935 -12.190 1.00 0.00 O ATOM 52 OE2 GLU A 4 -12.394 -6.581 -12.335 1.00 0.00 O ATOM 0 H GLU A 4 -14.686 -5.506 -8.979 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.436 -5.058 -7.190 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -11.138 -4.913 -9.261 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.100 -6.376 -9.201 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.792 -5.315 -10.684 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -12.814 -3.863 -10.753 1.00 0.00 H new ATOM 59 N ASP A 5 -13.901 -2.618 -8.847 1.00 0.00 N ATOM 60 CA ASP A 5 -14.031 -1.165 -8.919 1.00 0.00 C ATOM 61 C ASP A 5 -14.956 -0.647 -7.820 1.00 0.00 C ATOM 62 O ASP A 5 -14.826 0.491 -7.369 1.00 0.00 O ATOM 63 CB ASP A 5 -14.533 -0.723 -10.311 1.00 0.00 C ATOM 64 CG ASP A 5 -15.034 0.711 -10.327 1.00 0.00 C ATOM 65 OD1 ASP A 5 -14.217 1.634 -10.526 1.00 0.00 O ATOM 66 OD2 ASP A 5 -16.255 0.922 -10.153 1.00 0.00 O ATOM 0 H ASP A 5 -14.593 -3.131 -9.394 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.043 -0.731 -8.764 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.725 -0.829 -11.034 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -15.336 -1.387 -10.631 1.00 0.00 H new ATOM 71 N LYS A 6 -15.864 -1.499 -7.367 1.00 0.00 N ATOM 72 CA LYS A 6 -16.893 -1.089 -6.429 1.00 0.00 C ATOM 73 C LYS A 6 -16.699 -1.804 -5.098 1.00 0.00 C ATOM 74 O LYS A 6 -17.661 -2.088 -4.376 1.00 0.00 O ATOM 75 CB LYS A 6 -18.272 -1.401 -7.011 1.00 0.00 C ATOM 76 CG LYS A 6 -19.401 -0.583 -6.403 1.00 0.00 C ATOM 77 CD LYS A 6 -19.339 0.874 -6.843 1.00 0.00 C ATOM 78 CE LYS A 6 -19.548 1.021 -8.344 1.00 0.00 C ATOM 79 NZ LYS A 6 -19.615 2.448 -8.755 1.00 0.00 N ATOM 0 H LYS A 6 -15.907 -2.482 -7.636 1.00 0.00 H new ATOM 0 HA LYS A 6 -16.819 -0.015 -6.257 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -18.249 -1.226 -8.087 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -18.485 -2.460 -6.865 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -20.360 -1.011 -6.696 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -19.346 -0.638 -5.316 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -20.100 1.447 -6.312 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -18.372 1.296 -6.568 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -18.733 0.528 -8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -20.469 0.516 -8.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -19.758 2.507 -9.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -20.408 2.913 -8.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -18.726 2.924 -8.501 1.00 0.00 H new ATOM 93 N CYS A 7 -15.444 -2.099 -4.786 1.00 0.00 N ATOM 94 CA CYS A 7 -15.102 -2.810 -3.558 1.00 0.00 C ATOM 95 C CYS A 7 -15.519 -1.999 -2.342 1.00 0.00 C ATOM 96 O CYS A 7 -15.581 -0.768 -2.389 1.00 0.00 O ATOM 97 CB CYS A 7 -13.601 -3.107 -3.497 1.00 0.00 C ATOM 98 SG CYS A 7 -13.117 -4.198 -2.137 1.00 0.00 S ATOM 0 H CYS A 7 -14.642 -1.856 -5.368 1.00 0.00 H new ATOM 0 HA CYS A 7 -15.642 -3.757 -3.556 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.293 -3.560 -4.439 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.059 -2.166 -3.404 1.00 0.00 H new ATOM 0 HG CYS A 7 -13.430 -3.644 -1.004 1.00 0.00 H new ATOM 104 N LYS A 8 -15.814 -2.694 -1.261 1.00 0.00 N ATOM 105 CA LYS A 8 -16.287 -2.056 -0.054 1.00 0.00 C ATOM 106 C LYS A 8 -15.116 -1.672 0.838 1.00 0.00 C ATOM 107 O LYS A 8 -14.119 -2.392 0.911 1.00 0.00 O ATOM 108 CB LYS A 8 -17.255 -2.973 0.697 1.00 0.00 C ATOM 109 CG LYS A 8 -18.621 -3.080 0.040 1.00 0.00 C ATOM 110 CD LYS A 8 -18.538 -3.772 -1.312 1.00 0.00 C ATOM 111 CE LYS A 8 -19.820 -3.634 -2.116 1.00 0.00 C ATOM 112 NZ LYS A 8 -19.977 -2.270 -2.687 1.00 0.00 N ATOM 0 H LYS A 8 -15.733 -3.709 -1.197 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.822 -1.148 -0.332 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -16.817 -3.968 0.771 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.378 -2.603 1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -19.297 -3.633 0.692 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -19.044 -2.083 -0.086 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -17.709 -3.352 -1.881 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -18.319 -4.829 -1.163 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -19.822 -4.367 -2.923 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.674 -3.860 -1.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -20.856 -2.225 -3.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -20.018 -1.573 -1.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -19.167 -2.056 -3.304 1.00 0.00 H new ATOM 126 N PRO A 9 -15.224 -0.518 1.513 1.00 0.00 N ATOM 127 CA PRO A 9 -14.180 -0.021 2.410 1.00 0.00 C ATOM 128 C PRO A 9 -13.821 -1.022 3.496 1.00 0.00 C ATOM 129 O PRO A 9 -14.689 -1.489 4.232 1.00 0.00 O ATOM 130 CB PRO A 9 -14.793 1.216 3.055 1.00 0.00 C ATOM 131 CG PRO A 9 -15.912 1.629 2.159 1.00 0.00 C ATOM 132 CD PRO A 9 -16.382 0.391 1.446 1.00 0.00 C ATOM 0 HA PRO A 9 -13.259 0.174 1.860 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -15.157 0.994 4.058 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.055 2.013 3.152 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.723 2.074 2.735 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.577 2.382 1.445 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.258 -0.041 1.931 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.662 0.606 0.415 1.00 0.00 H new ATOM 140 N MET A 10 -12.545 -1.351 3.590 1.00 0.00 N ATOM 141 CA MET A 10 -12.070 -2.224 4.647 1.00 0.00 C ATOM 142 C MET A 10 -12.042 -1.463 5.967 1.00 0.00 C ATOM 143 O MET A 10 -11.883 -0.240 5.986 1.00 0.00 O ATOM 144 CB MET A 10 -10.683 -2.773 4.317 1.00 0.00 C ATOM 145 CG MET A 10 -9.629 -1.704 4.126 1.00 0.00 C ATOM 146 SD MET A 10 -7.995 -2.391 3.820 1.00 0.00 S ATOM 147 CE MET A 10 -8.324 -3.454 2.415 1.00 0.00 C ATOM 0 H MET A 10 -11.821 -1.027 2.949 1.00 0.00 H new ATOM 0 HA MET A 10 -12.752 -3.069 4.736 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.368 -3.441 5.118 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.747 -3.372 3.409 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.913 -1.065 3.290 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.593 -1.072 5.013 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.411 -3.580 1.833 1.00 0.00 H new ATOM 0 HE2 MET A 10 -8.667 -4.427 2.767 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.094 -3.002 1.789 1.00 0.00 H new ATOM 157 N SER A 11 -12.209 -2.192 7.054 1.00 0.00 N ATOM 158 CA SER A 11 -12.297 -1.601 8.383 1.00 0.00 C ATOM 159 C SER A 11 -10.988 -0.928 8.807 1.00 0.00 C ATOM 160 O SER A 11 -9.943 -1.141 8.184 1.00 0.00 O ATOM 161 CB SER A 11 -12.694 -2.676 9.402 1.00 0.00 C ATOM 162 OG SER A 11 -11.796 -3.778 9.370 1.00 0.00 O ATOM 0 H SER A 11 -12.288 -3.209 7.045 1.00 0.00 H new ATOM 0 HA SER A 11 -13.061 -0.824 8.349 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.707 -2.244 10.403 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.706 -3.023 9.192 1.00 0.00 H new ATOM 0 HG SER A 11 -12.042 -4.379 8.636 1.00 0.00 H new ATOM 168 N TYR A 12 -11.050 -0.126 9.868 1.00 0.00 N ATOM 169 CA TYR A 12 -9.867 0.550 10.410 1.00 0.00 C ATOM 170 C TYR A 12 -8.790 -0.478 10.753 1.00 0.00 C ATOM 171 O TYR A 12 -7.600 -0.263 10.500 1.00 0.00 O ATOM 172 CB TYR A 12 -10.267 1.369 11.648 1.00 0.00 C ATOM 173 CG TYR A 12 -9.148 2.188 12.255 1.00 0.00 C ATOM 174 CD1 TYR A 12 -8.144 1.583 12.992 1.00 0.00 C ATOM 175 CD2 TYR A 12 -9.114 3.568 12.108 1.00 0.00 C ATOM 176 CE1 TYR A 12 -7.130 2.325 13.564 1.00 0.00 C ATOM 177 CE2 TYR A 12 -8.102 4.319 12.674 1.00 0.00 C ATOM 178 CZ TYR A 12 -7.115 3.693 13.403 1.00 0.00 C ATOM 179 OH TYR A 12 -6.105 4.438 13.971 1.00 0.00 O ATOM 0 H TYR A 12 -11.912 0.074 10.374 1.00 0.00 H new ATOM 0 HA TYR A 12 -9.457 1.230 9.663 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -11.082 2.039 11.375 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.654 0.689 12.407 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.154 0.511 13.122 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -9.890 4.062 11.543 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.354 1.836 14.134 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.085 5.391 12.546 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.241 5.386 13.762 1.00 0.00 H new ATOM 189 N GLU A 13 -9.231 -1.606 11.299 1.00 0.00 N ATOM 190 CA GLU A 13 -8.342 -2.710 11.651 1.00 0.00 C ATOM 191 C GLU A 13 -7.530 -3.157 10.439 1.00 0.00 C ATOM 192 O GLU A 13 -6.333 -3.436 10.541 1.00 0.00 O ATOM 193 CB GLU A 13 -9.174 -3.884 12.176 1.00 0.00 C ATOM 194 CG GLU A 13 -8.353 -5.049 12.699 1.00 0.00 C ATOM 195 CD GLU A 13 -9.229 -6.201 13.141 1.00 0.00 C ATOM 196 OE1 GLU A 13 -9.746 -6.928 12.267 1.00 0.00 O ATOM 197 OE2 GLU A 13 -9.422 -6.376 14.363 1.00 0.00 O ATOM 0 H GLU A 13 -10.213 -1.782 11.510 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.651 -2.372 12.423 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.823 -3.525 12.975 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.821 -4.242 11.375 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.669 -5.390 11.921 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.741 -4.715 13.537 1.00 0.00 H new ATOM 204 N GLU A 14 -8.185 -3.183 9.290 1.00 0.00 N ATOM 205 CA GLU A 14 -7.569 -3.673 8.066 1.00 0.00 C ATOM 206 C GLU A 14 -6.683 -2.603 7.443 1.00 0.00 C ATOM 207 O GLU A 14 -5.578 -2.891 7.001 1.00 0.00 O ATOM 208 CB GLU A 14 -8.645 -4.123 7.080 1.00 0.00 C ATOM 209 CG GLU A 14 -9.451 -5.312 7.576 1.00 0.00 C ATOM 210 CD GLU A 14 -10.670 -5.582 6.727 1.00 0.00 C ATOM 211 OE1 GLU A 14 -11.737 -4.987 7.007 1.00 0.00 O ATOM 212 OE2 GLU A 14 -10.573 -6.399 5.785 1.00 0.00 O ATOM 0 H GLU A 14 -9.149 -2.869 9.178 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.941 -4.530 8.312 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.321 -3.290 6.884 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.174 -4.381 6.131 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.816 -6.198 7.586 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.762 -5.132 8.605 1.00 0.00 H new ATOM 219 N LYS A 15 -7.168 -1.365 7.426 1.00 0.00 N ATOM 220 CA LYS A 15 -6.382 -0.238 6.930 1.00 0.00 C ATOM 221 C LYS A 15 -5.071 -0.111 7.702 1.00 0.00 C ATOM 222 O LYS A 15 -4.011 0.142 7.124 1.00 0.00 O ATOM 223 CB LYS A 15 -7.183 1.059 7.046 1.00 0.00 C ATOM 224 CG LYS A 15 -8.330 1.167 6.060 1.00 0.00 C ATOM 225 CD LYS A 15 -9.297 2.269 6.459 1.00 0.00 C ATOM 226 CE LYS A 15 -9.806 3.021 5.245 1.00 0.00 C ATOM 227 NZ LYS A 15 -10.728 4.121 5.629 1.00 0.00 N ATOM 0 H LYS A 15 -8.102 -1.116 7.750 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.150 -0.420 5.881 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.579 1.140 8.058 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.510 1.904 6.899 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.938 1.367 5.063 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.860 0.216 6.009 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.138 1.838 7.002 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.801 2.963 7.138 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.962 3.430 4.690 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.321 2.330 4.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.842 4.774 4.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.654 3.724 5.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.334 4.636 6.442 1.00 0.00 H new ATOM 241 N ARG A 16 -5.155 -0.291 9.014 1.00 0.00 N ATOM 242 CA ARG A 16 -3.976 -0.284 9.870 1.00 0.00 C ATOM 243 C ARG A 16 -3.030 -1.419 9.490 1.00 0.00 C ATOM 244 O ARG A 16 -1.821 -1.224 9.369 1.00 0.00 O ATOM 245 CB ARG A 16 -4.381 -0.438 11.338 1.00 0.00 C ATOM 246 CG ARG A 16 -3.203 -0.408 12.302 1.00 0.00 C ATOM 247 CD ARG A 16 -3.419 -1.361 13.466 1.00 0.00 C ATOM 248 NE ARG A 16 -3.439 -2.762 13.033 1.00 0.00 N ATOM 249 CZ ARG A 16 -3.959 -3.759 13.750 1.00 0.00 C ATOM 250 NH1 ARG A 16 -4.523 -3.513 14.927 1.00 0.00 N ATOM 251 NH2 ARG A 16 -3.917 -5.004 13.292 1.00 0.00 N ATOM 0 H ARG A 16 -6.033 -0.444 9.511 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.467 0.670 9.732 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.075 0.361 11.600 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.917 -1.379 11.462 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.290 -0.678 11.772 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.065 0.605 12.679 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.627 -1.220 14.201 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.360 -1.121 13.961 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.029 -2.988 12.127 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.560 -2.559 15.286 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.920 -4.278 15.472 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.486 -5.201 12.389 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.316 -5.764 13.843 1.00 0.00 H new ATOM 265 N GLN A 17 -3.592 -2.607 9.307 1.00 0.00 N ATOM 266 CA GLN A 17 -2.805 -3.785 8.990 1.00 0.00 C ATOM 267 C GLN A 17 -2.203 -3.680 7.598 1.00 0.00 C ATOM 268 O GLN A 17 -1.132 -4.208 7.340 1.00 0.00 O ATOM 269 CB GLN A 17 -3.669 -5.042 9.103 1.00 0.00 C ATOM 270 CG GLN A 17 -2.860 -6.325 9.118 1.00 0.00 C ATOM 271 CD GLN A 17 -1.877 -6.368 10.271 1.00 0.00 C ATOM 272 OE1 GLN A 17 -2.114 -5.779 11.329 1.00 0.00 O ATOM 273 NE2 GLN A 17 -0.770 -7.059 10.077 1.00 0.00 N ATOM 0 H GLN A 17 -4.595 -2.777 9.374 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.987 -3.852 9.707 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.264 -4.985 10.014 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.368 -5.071 8.267 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.535 -7.178 9.187 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.318 -6.422 8.177 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.613 -7.531 9.187 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.071 -7.121 10.817 1.00 0.00 H new ATOM 282 N LEU A 18 -2.897 -2.978 6.721 1.00 0.00 N ATOM 283 CA LEU A 18 -2.428 -2.749 5.358 1.00 0.00 C ATOM 284 C LEU A 18 -1.197 -1.847 5.382 1.00 0.00 C ATOM 285 O LEU A 18 -0.248 -2.026 4.630 1.00 0.00 O ATOM 286 CB LEU A 18 -3.544 -2.107 4.533 1.00 0.00 C ATOM 287 CG LEU A 18 -3.703 -2.604 3.092 1.00 0.00 C ATOM 288 CD1 LEU A 18 -4.985 -2.070 2.494 1.00 0.00 C ATOM 289 CD2 LEU A 18 -2.533 -2.188 2.223 1.00 0.00 C ATOM 0 H LEU A 18 -3.799 -2.550 6.928 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.155 -3.700 4.901 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.488 -2.266 5.054 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.372 -1.031 4.506 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.735 -3.693 3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.087 -2.430 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.833 -2.414 3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.961 -0.980 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.683 -2.559 1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.462 -1.100 2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.612 -2.605 2.630 1.00 0.00 H new ATOM 301 N SER A 19 -1.213 -0.872 6.263 1.00 0.00 N ATOM 302 CA SER A 19 -0.034 -0.055 6.479 1.00 0.00 C ATOM 303 C SER A 19 1.119 -0.928 6.970 1.00 0.00 C ATOM 304 O SER A 19 2.285 -0.715 6.624 1.00 0.00 O ATOM 305 CB SER A 19 -0.343 1.051 7.490 1.00 0.00 C ATOM 306 OG SER A 19 -1.453 1.827 7.068 1.00 0.00 O ATOM 0 H SER A 19 -2.019 -0.625 6.837 1.00 0.00 H new ATOM 0 HA SER A 19 0.259 0.410 5.538 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.552 0.610 8.465 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.530 1.693 7.611 1.00 0.00 H new ATOM 0 HG SER A 19 -1.379 2.008 6.108 1.00 0.00 H new ATOM 312 N LEU A 20 0.772 -1.941 7.747 1.00 0.00 N ATOM 313 CA LEU A 20 1.749 -2.850 8.310 1.00 0.00 C ATOM 314 C LEU A 20 2.219 -3.884 7.287 1.00 0.00 C ATOM 315 O LEU A 20 3.377 -4.304 7.315 1.00 0.00 O ATOM 316 CB LEU A 20 1.161 -3.538 9.540 1.00 0.00 C ATOM 317 CG LEU A 20 0.948 -2.628 10.746 1.00 0.00 C ATOM 318 CD1 LEU A 20 0.188 -3.378 11.816 1.00 0.00 C ATOM 319 CD2 LEU A 20 2.283 -2.145 11.291 1.00 0.00 C ATOM 0 H LEU A 20 -0.192 -2.153 8.003 1.00 0.00 H new ATOM 0 HA LEU A 20 2.624 -2.269 8.604 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.205 -3.984 9.266 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.821 -4.355 9.832 1.00 0.00 H new ATOM 0 HG LEU A 20 0.370 -1.757 10.436 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.036 -2.728 12.678 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.779 -3.692 11.423 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.758 -4.256 12.120 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.112 -1.497 12.151 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.883 -3.002 11.596 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.812 -1.589 10.517 1.00 0.00 H new ATOM 331 N ASP A 21 1.335 -4.280 6.376 1.00 0.00 N ATOM 332 CA ASP A 21 1.660 -5.315 5.401 1.00 0.00 C ATOM 333 C ASP A 21 2.537 -4.765 4.272 1.00 0.00 C ATOM 334 O ASP A 21 3.409 -5.470 3.757 1.00 0.00 O ATOM 335 CB ASP A 21 0.389 -6.013 4.868 1.00 0.00 C ATOM 336 CG ASP A 21 -0.610 -5.125 4.168 1.00 0.00 C ATOM 337 OD1 ASP A 21 -0.206 -4.268 3.375 1.00 0.00 O ATOM 338 OD2 ASP A 21 -1.826 -5.342 4.380 1.00 0.00 O ATOM 0 H ASP A 21 0.392 -3.901 6.293 1.00 0.00 H new ATOM 0 HA ASP A 21 2.246 -6.079 5.913 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.693 -6.799 4.177 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.112 -6.500 5.705 1.00 0.00 H new ATOM 343 N ILE A 22 2.347 -3.499 3.923 1.00 0.00 N ATOM 344 CA ILE A 22 3.204 -2.852 2.934 1.00 0.00 C ATOM 345 C ILE A 22 4.575 -2.581 3.526 1.00 0.00 C ATOM 346 O ILE A 22 5.596 -2.683 2.846 1.00 0.00 O ATOM 347 CB ILE A 22 2.583 -1.538 2.428 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.287 -1.836 1.683 1.00 0.00 C ATOM 349 CG2 ILE A 22 3.543 -0.784 1.524 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.398 -0.637 1.549 1.00 0.00 C ATOM 0 H ILE A 22 1.613 -2.902 4.306 1.00 0.00 H new ATOM 0 HA ILE A 22 3.304 -3.529 2.085 1.00 0.00 H new ATOM 0 HB ILE A 22 2.371 -0.906 3.291 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.525 -2.217 0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.747 -2.625 2.207 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.074 0.139 1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.452 -0.547 2.076 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.793 -1.403 0.662 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.508 -0.914 1.010 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.132 -0.269 2.540 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.922 0.145 1.000 1.00 0.00 H new ATOM 362 N ASN A 23 4.586 -2.264 4.812 1.00 0.00 N ATOM 363 CA ASN A 23 5.822 -2.050 5.544 1.00 0.00 C ATOM 364 C ASN A 23 6.668 -3.331 5.559 1.00 0.00 C ATOM 365 O ASN A 23 7.886 -3.287 5.744 1.00 0.00 O ATOM 366 CB ASN A 23 5.487 -1.593 6.969 1.00 0.00 C ATOM 367 CG ASN A 23 6.688 -1.568 7.898 1.00 0.00 C ATOM 368 OD1 ASN A 23 6.988 -2.555 8.572 1.00 0.00 O ATOM 369 ND2 ASN A 23 7.372 -0.439 7.952 1.00 0.00 N ATOM 0 H ASN A 23 3.742 -2.149 5.374 1.00 0.00 H new ATOM 0 HA ASN A 23 6.409 -1.275 5.051 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.049 -0.596 6.928 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.730 -2.257 7.386 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.181 -0.362 8.568 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.091 0.356 7.378 1.00 0.00 H new ATOM 376 N LYS A 24 6.011 -4.469 5.332 1.00 0.00 N ATOM 377 CA LYS A 24 6.682 -5.767 5.325 1.00 0.00 C ATOM 378 C LYS A 24 7.395 -6.023 4.000 1.00 0.00 C ATOM 379 O LYS A 24 8.376 -6.766 3.950 1.00 0.00 O ATOM 380 CB LYS A 24 5.672 -6.886 5.582 1.00 0.00 C ATOM 381 CG LYS A 24 5.146 -6.915 7.006 1.00 0.00 C ATOM 382 CD LYS A 24 4.093 -7.994 7.195 1.00 0.00 C ATOM 383 CE LYS A 24 3.468 -7.925 8.581 1.00 0.00 C ATOM 384 NZ LYS A 24 4.477 -8.083 9.660 1.00 0.00 N ATOM 0 H LYS A 24 5.009 -4.516 5.150 1.00 0.00 H new ATOM 0 HA LYS A 24 7.428 -5.754 6.120 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.833 -6.771 4.896 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.139 -7.845 5.357 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.972 -7.088 7.696 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.720 -5.943 7.256 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.316 -7.883 6.438 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.545 -8.975 7.047 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.958 -6.969 8.700 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.712 -8.704 8.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.994 -8.165 10.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.039 -8.940 9.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.105 -7.254 9.672 1.00 0.00 H new ATOM 398 N LEU A 25 6.890 -5.423 2.932 1.00 0.00 N ATOM 399 CA LEU A 25 7.462 -5.614 1.602 1.00 0.00 C ATOM 400 C LEU A 25 8.866 -5.023 1.500 1.00 0.00 C ATOM 401 O LEU A 25 9.088 -3.870 1.870 1.00 0.00 O ATOM 402 CB LEU A 25 6.571 -4.959 0.551 1.00 0.00 C ATOM 403 CG LEU A 25 5.132 -5.451 0.509 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.462 -4.960 -0.752 1.00 0.00 C ATOM 405 CD2 LEU A 25 5.082 -6.957 0.587 1.00 0.00 C ATOM 0 H LEU A 25 6.084 -4.798 2.958 1.00 0.00 H new ATOM 0 HA LEU A 25 7.526 -6.688 1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.563 -3.883 0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.019 -5.118 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 25 4.597 -5.052 1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.432 -5.315 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.471 -3.870 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.999 -5.340 -1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.044 -7.289 0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.625 -7.383 -0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.541 -7.289 1.519 1.00 0.00 H new ATOM 417 N PRO A 26 9.838 -5.820 1.015 1.00 0.00 N ATOM 418 CA PRO A 26 11.188 -5.327 0.702 1.00 0.00 C ATOM 419 C PRO A 26 11.148 -4.185 -0.310 1.00 0.00 C ATOM 420 O PRO A 26 10.227 -4.126 -1.122 1.00 0.00 O ATOM 421 CB PRO A 26 11.885 -6.550 0.097 1.00 0.00 C ATOM 422 CG PRO A 26 11.142 -7.716 0.648 1.00 0.00 C ATOM 423 CD PRO A 26 9.714 -7.271 0.771 1.00 0.00 C ATOM 0 HA PRO A 26 11.696 -4.927 1.580 1.00 0.00 H new ATOM 0 HB2 PRO A 26 11.843 -6.532 -0.992 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.938 -6.584 0.375 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.227 -8.580 -0.011 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.544 -8.013 1.617 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.146 -7.481 -0.136 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.203 -7.776 1.591 1.00 0.00 H new ATOM 431 N GLY A 27 12.150 -3.304 -0.262 1.00 0.00 N ATOM 432 CA GLY A 27 12.156 -2.084 -1.067 1.00 0.00 C ATOM 433 C GLY A 27 11.704 -2.271 -2.509 1.00 0.00 C ATOM 434 O GLY A 27 10.949 -1.445 -3.032 1.00 0.00 O ATOM 0 H GLY A 27 12.972 -3.416 0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.509 -1.347 -0.590 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.164 -1.670 -1.067 1.00 0.00 H new ATOM 438 N GLU A 28 12.158 -3.340 -3.153 1.00 0.00 N ATOM 439 CA GLU A 28 11.781 -3.623 -4.535 1.00 0.00 C ATOM 440 C GLU A 28 10.268 -3.826 -4.658 1.00 0.00 C ATOM 441 O GLU A 28 9.591 -3.114 -5.406 1.00 0.00 O ATOM 442 CB GLU A 28 12.520 -4.866 -5.036 1.00 0.00 C ATOM 443 CG GLU A 28 12.279 -5.172 -6.503 1.00 0.00 C ATOM 444 CD GLU A 28 12.780 -4.074 -7.416 1.00 0.00 C ATOM 445 OE1 GLU A 28 14.004 -4.007 -7.655 1.00 0.00 O ATOM 446 OE2 GLU A 28 11.949 -3.285 -7.913 1.00 0.00 O ATOM 0 H GLU A 28 12.789 -4.027 -2.740 1.00 0.00 H new ATOM 0 HA GLU A 28 12.062 -2.767 -5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.589 -4.732 -4.873 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.212 -5.725 -4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.774 -6.108 -6.761 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.212 -5.319 -6.669 1.00 0.00 H new ATOM 453 N LYS A 29 9.748 -4.790 -3.904 1.00 0.00 N ATOM 454 CA LYS A 29 8.320 -5.084 -3.874 1.00 0.00 C ATOM 455 C LYS A 29 7.524 -3.873 -3.394 1.00 0.00 C ATOM 456 O LYS A 29 6.417 -3.604 -3.861 1.00 0.00 O ATOM 457 CB LYS A 29 8.068 -6.258 -2.931 1.00 0.00 C ATOM 458 CG LYS A 29 8.564 -7.597 -3.447 1.00 0.00 C ATOM 459 CD LYS A 29 7.719 -8.102 -4.605 1.00 0.00 C ATOM 460 CE LYS A 29 8.044 -9.549 -4.944 1.00 0.00 C ATOM 461 NZ LYS A 29 7.834 -10.457 -3.782 1.00 0.00 N ATOM 0 H LYS A 29 10.306 -5.390 -3.296 1.00 0.00 H new ATOM 0 HA LYS A 29 7.996 -5.334 -4.884 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.549 -6.050 -1.975 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.997 -6.331 -2.739 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.601 -7.502 -3.768 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.547 -8.328 -2.638 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.663 -8.015 -4.351 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.888 -7.475 -5.481 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.420 -9.875 -5.776 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.080 -9.619 -5.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.734 -10.914 -3.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.487 -9.907 -2.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.134 -11.185 -4.032 1.00 0.00 H new ATOM 475 N LEU A 30 8.110 -3.167 -2.446 1.00 0.00 N ATOM 476 CA LEU A 30 7.517 -1.982 -1.844 1.00 0.00 C ATOM 477 C LEU A 30 7.266 -0.890 -2.875 1.00 0.00 C ATOM 478 O LEU A 30 6.203 -0.270 -2.863 1.00 0.00 O ATOM 479 CB LEU A 30 8.454 -1.483 -0.743 1.00 0.00 C ATOM 480 CG LEU A 30 8.018 -0.222 -0.022 1.00 0.00 C ATOM 481 CD1 LEU A 30 6.532 -0.267 0.293 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.833 -0.067 1.253 1.00 0.00 C ATOM 0 H LEU A 30 9.026 -3.402 -2.064 1.00 0.00 H new ATOM 0 HA LEU A 30 6.546 -2.242 -1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.572 -2.277 -0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.436 -1.306 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 30 8.193 0.638 -0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.242 0.648 0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.966 -0.355 -0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.321 -1.126 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.523 0.838 1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.669 -0.931 1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.891 0.003 1.002 1.00 0.00 H new ATOM 494 N GLY A 31 8.230 -0.672 -3.768 1.00 0.00 N ATOM 495 CA GLY A 31 8.114 0.387 -4.764 1.00 0.00 C ATOM 496 C GLY A 31 6.829 0.306 -5.570 1.00 0.00 C ATOM 497 O GLY A 31 6.310 1.327 -6.023 1.00 0.00 O ATOM 0 H GLY A 31 9.094 -1.212 -3.821 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.163 1.355 -4.265 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.966 0.335 -5.442 1.00 0.00 H new ATOM 501 N ARG A 32 6.307 -0.907 -5.731 1.00 0.00 N ATOM 502 CA ARG A 32 5.050 -1.113 -6.437 1.00 0.00 C ATOM 503 C ARG A 32 3.899 -0.416 -5.718 1.00 0.00 C ATOM 504 O ARG A 32 3.122 0.292 -6.341 1.00 0.00 O ATOM 505 CB ARG A 32 4.745 -2.606 -6.563 1.00 0.00 C ATOM 506 CG ARG A 32 3.404 -2.913 -7.231 1.00 0.00 C ATOM 507 CD ARG A 32 3.399 -2.518 -8.702 1.00 0.00 C ATOM 508 NE ARG A 32 4.307 -3.350 -9.490 1.00 0.00 N ATOM 509 CZ ARG A 32 4.291 -3.420 -10.820 1.00 0.00 C ATOM 510 NH1 ARG A 32 3.432 -2.688 -11.518 1.00 0.00 N ATOM 511 NH2 ARG A 32 5.132 -4.226 -11.449 1.00 0.00 N ATOM 0 H ARG A 32 6.738 -1.763 -5.381 1.00 0.00 H new ATOM 0 HA ARG A 32 5.153 -0.682 -7.433 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.541 -3.082 -7.135 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.755 -3.054 -5.569 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.188 -3.978 -7.140 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.608 -2.381 -6.709 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.388 -2.607 -9.099 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.689 -1.472 -8.799 1.00 0.00 H new ATOM 0 HE ARG A 32 4.996 -3.912 -8.990 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.780 -2.069 -11.036 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.423 -2.745 -12.536 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.791 -4.792 -10.915 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.121 -4.281 -12.467 1.00 0.00 H new ATOM 525 N VAL A 33 3.806 -0.606 -4.405 1.00 0.00 N ATOM 526 CA VAL A 33 2.671 -0.089 -3.634 1.00 0.00 C ATOM 527 C VAL A 33 2.704 1.420 -3.563 1.00 0.00 C ATOM 528 O VAL A 33 1.697 2.070 -3.831 1.00 0.00 O ATOM 529 CB VAL A 33 2.610 -0.660 -2.207 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.166 -0.906 -1.827 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.417 -1.940 -2.084 1.00 0.00 C ATOM 0 H VAL A 33 4.498 -1.111 -3.851 1.00 0.00 H new ATOM 0 HA VAL A 33 1.776 -0.414 -4.165 1.00 0.00 H new ATOM 0 HB VAL A 33 3.049 0.067 -1.524 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.120 -1.311 -0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.614 0.033 -1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.723 -1.618 -2.523 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.351 -2.315 -1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.021 -2.687 -2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.460 -1.738 -2.330 1.00 0.00 H new ATOM 541 N VAL A 34 3.862 1.976 -3.221 1.00 0.00 N ATOM 542 CA VAL A 34 4.038 3.431 -3.228 1.00 0.00 C ATOM 543 C VAL A 34 3.579 3.989 -4.575 1.00 0.00 C ATOM 544 O VAL A 34 2.950 5.044 -4.649 1.00 0.00 O ATOM 545 CB VAL A 34 5.515 3.840 -2.942 1.00 0.00 C ATOM 546 CG1 VAL A 34 6.410 2.632 -2.958 1.00 0.00 C ATOM 547 CG2 VAL A 34 6.038 4.877 -3.932 1.00 0.00 C ATOM 0 H VAL A 34 4.688 1.450 -2.937 1.00 0.00 H new ATOM 0 HA VAL A 34 3.430 3.853 -2.428 1.00 0.00 H new ATOM 0 HB VAL A 34 5.526 4.294 -1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.437 2.937 -2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.084 1.928 -2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.359 2.154 -3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.070 5.126 -3.687 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.993 4.471 -4.942 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.425 5.776 -3.875 1.00 0.00 H new ATOM 557 N HIS A 35 3.882 3.241 -5.628 1.00 0.00 N ATOM 558 CA HIS A 35 3.460 3.599 -6.975 1.00 0.00 C ATOM 559 C HIS A 35 1.946 3.432 -7.146 1.00 0.00 C ATOM 560 O HIS A 35 1.295 4.301 -7.718 1.00 0.00 O ATOM 561 CB HIS A 35 4.206 2.754 -8.010 1.00 0.00 C ATOM 562 CG HIS A 35 3.993 3.206 -9.424 1.00 0.00 C ATOM 563 ND1 HIS A 35 4.727 4.216 -10.003 1.00 0.00 N ATOM 564 CD2 HIS A 35 3.120 2.788 -10.374 1.00 0.00 C ATOM 565 CE1 HIS A 35 4.312 4.405 -11.241 1.00 0.00 C ATOM 566 NE2 HIS A 35 3.340 3.553 -11.491 1.00 0.00 N ATOM 0 H HIS A 35 4.422 2.377 -5.574 1.00 0.00 H new ATOM 0 HA HIS A 35 3.704 4.649 -7.134 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.273 2.780 -7.786 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.886 1.716 -7.918 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.389 2.000 -10.270 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.704 5.136 -11.933 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.833 3.475 -12.372 1.00 0.00 H new ATOM 575 N ILE A 36 1.395 2.318 -6.650 1.00 0.00 N ATOM 576 CA ILE A 36 -0.039 2.044 -6.774 1.00 0.00 C ATOM 577 C ILE A 36 -0.857 3.182 -6.187 1.00 0.00 C ATOM 578 O ILE A 36 -1.730 3.729 -6.856 1.00 0.00 O ATOM 579 CB ILE A 36 -0.477 0.716 -6.098 1.00 0.00 C ATOM 580 CG1 ILE A 36 0.284 -0.476 -6.688 1.00 0.00 C ATOM 581 CG2 ILE A 36 -1.981 0.513 -6.272 1.00 0.00 C ATOM 582 CD1 ILE A 36 -0.220 -1.827 -6.220 1.00 0.00 C ATOM 0 H ILE A 36 1.920 1.594 -6.160 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.226 1.948 -7.844 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.243 0.779 -5.035 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.218 -0.433 -7.775 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.339 -0.384 -6.428 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.280 -0.420 -5.795 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.516 1.343 -5.811 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.222 0.471 -7.334 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.371 -2.617 -6.684 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.128 -1.894 -5.136 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.266 -1.943 -6.504 1.00 0.00 H new ATOM 594 N ILE A 37 -0.558 3.558 -4.949 1.00 0.00 N ATOM 595 CA ILE A 37 -1.313 4.612 -4.291 1.00 0.00 C ATOM 596 C ILE A 37 -1.197 5.924 -5.061 1.00 0.00 C ATOM 597 O ILE A 37 -2.203 6.523 -5.426 1.00 0.00 O ATOM 598 CB ILE A 37 -0.875 4.849 -2.832 1.00 0.00 C ATOM 599 CG1 ILE A 37 -1.007 3.573 -2.000 1.00 0.00 C ATOM 600 CG2 ILE A 37 -1.739 5.942 -2.234 1.00 0.00 C ATOM 601 CD1 ILE A 37 0.305 3.047 -1.470 1.00 0.00 C ATOM 0 H ILE A 37 0.192 3.154 -4.388 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.349 4.272 -4.278 1.00 0.00 H new ATOM 0 HB ILE A 37 0.173 5.147 -2.823 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.675 3.766 -1.161 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.477 2.801 -2.610 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.439 6.119 -1.201 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.616 6.859 -2.810 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.784 5.635 -2.260 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.126 2.141 -0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.969 2.820 -2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.768 3.800 -0.832 1.00 0.00 H new ATOM 613 N GLN A 38 0.034 6.350 -5.329 1.00 0.00 N ATOM 614 CA GLN A 38 0.280 7.601 -6.049 1.00 0.00 C ATOM 615 C GLN A 38 -0.382 7.598 -7.426 1.00 0.00 C ATOM 616 O GLN A 38 -0.795 8.644 -7.931 1.00 0.00 O ATOM 617 CB GLN A 38 1.785 7.855 -6.205 1.00 0.00 C ATOM 618 CG GLN A 38 2.497 8.188 -4.898 1.00 0.00 C ATOM 619 CD GLN A 38 3.555 9.261 -5.072 1.00 0.00 C ATOM 620 OE1 GLN A 38 3.459 10.109 -5.959 1.00 0.00 O ATOM 621 NE2 GLN A 38 4.563 9.247 -4.213 1.00 0.00 N ATOM 0 H GLN A 38 0.880 5.848 -5.059 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.160 8.402 -5.456 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.248 6.972 -6.644 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.934 8.675 -6.907 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.764 8.520 -4.163 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.961 7.285 -4.500 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.608 8.528 -3.491 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.294 9.956 -4.273 1.00 0.00 H new ATOM 630 N SER A 39 -0.475 6.425 -8.031 1.00 0.00 N ATOM 631 CA SER A 39 -1.073 6.296 -9.349 1.00 0.00 C ATOM 632 C SER A 39 -2.598 6.353 -9.281 1.00 0.00 C ATOM 633 O SER A 39 -3.243 6.870 -10.196 1.00 0.00 O ATOM 634 CB SER A 39 -0.612 4.998 -10.017 1.00 0.00 C ATOM 635 OG SER A 39 -1.127 4.882 -11.333 1.00 0.00 O ATOM 0 H SER A 39 -0.144 5.548 -7.630 1.00 0.00 H new ATOM 0 HA SER A 39 -0.739 7.140 -9.952 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.477 4.970 -10.047 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.937 4.145 -9.421 1.00 0.00 H new ATOM 0 HG SER A 39 -0.814 4.044 -11.734 1.00 0.00 H new ATOM 641 N ARG A 40 -3.183 5.853 -8.195 1.00 0.00 N ATOM 642 CA ARG A 40 -4.630 5.808 -8.093 1.00 0.00 C ATOM 643 C ARG A 40 -5.143 7.096 -7.481 1.00 0.00 C ATOM 644 O ARG A 40 -6.229 7.570 -7.809 1.00 0.00 O ATOM 645 CB ARG A 40 -5.089 4.621 -7.248 1.00 0.00 C ATOM 646 CG ARG A 40 -4.577 3.275 -7.738 1.00 0.00 C ATOM 647 CD ARG A 40 -5.519 2.154 -7.366 1.00 0.00 C ATOM 648 NE ARG A 40 -6.820 2.289 -8.016 1.00 0.00 N ATOM 649 CZ ARG A 40 -7.627 1.265 -8.283 1.00 0.00 C ATOM 650 NH1 ARG A 40 -7.300 0.040 -7.891 1.00 0.00 N ATOM 651 NH2 ARG A 40 -8.769 1.468 -8.926 1.00 0.00 N ATOM 0 H ARG A 40 -2.683 5.480 -7.388 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.036 5.690 -9.098 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.759 4.771 -6.220 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.179 4.599 -7.233 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.454 3.304 -8.821 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.593 3.082 -7.311 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.073 1.199 -7.644 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.655 2.139 -6.285 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.129 3.224 -8.281 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.429 -0.118 -7.384 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.920 -0.744 -8.096 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.030 2.410 -9.217 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.386 0.682 -9.130 1.00 0.00 H new ATOM 665 N GLU A 41 -4.354 7.642 -6.572 1.00 0.00 N ATOM 666 CA GLU A 41 -4.729 8.829 -5.836 1.00 0.00 C ATOM 667 C GLU A 41 -3.819 10.010 -6.167 1.00 0.00 C ATOM 668 O GLU A 41 -2.809 10.237 -5.499 1.00 0.00 O ATOM 669 CB GLU A 41 -4.649 8.466 -4.380 1.00 0.00 C ATOM 670 CG GLU A 41 -5.170 7.083 -4.178 1.00 0.00 C ATOM 671 CD GLU A 41 -6.635 7.033 -3.810 1.00 0.00 C ATOM 672 OE1 GLU A 41 -7.384 7.968 -4.171 1.00 0.00 O ATOM 673 OE2 GLU A 41 -7.050 6.052 -3.176 1.00 0.00 O ATOM 0 H GLU A 41 -3.436 7.272 -6.326 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.735 9.149 -6.105 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.617 8.530 -4.035 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.228 9.174 -3.786 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.014 6.509 -5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.591 6.597 -3.393 1.00 0.00 H new ATOM 680 N PRO A 42 -4.169 10.783 -7.209 1.00 0.00 N ATOM 681 CA PRO A 42 -3.368 11.929 -7.662 1.00 0.00 C ATOM 682 C PRO A 42 -3.240 13.028 -6.604 1.00 0.00 C ATOM 683 O PRO A 42 -2.372 13.893 -6.708 1.00 0.00 O ATOM 684 CB PRO A 42 -4.133 12.453 -8.883 1.00 0.00 C ATOM 685 CG PRO A 42 -5.008 11.324 -9.305 1.00 0.00 C ATOM 686 CD PRO A 42 -5.364 10.595 -8.046 1.00 0.00 C ATOM 0 HA PRO A 42 -2.342 11.630 -7.879 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -4.721 13.335 -8.631 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.450 12.743 -9.682 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.901 11.689 -9.812 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.490 10.668 -10.005 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -6.256 11.011 -7.577 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.565 9.540 -8.233 1.00 0.00 H new ATOM 694 N SER A 43 -4.094 12.981 -5.584 1.00 0.00 N ATOM 695 CA SER A 43 -4.089 13.983 -4.522 1.00 0.00 C ATOM 696 C SER A 43 -2.820 13.902 -3.675 1.00 0.00 C ATOM 697 O SER A 43 -2.410 14.889 -3.067 1.00 0.00 O ATOM 698 CB SER A 43 -5.312 13.799 -3.621 1.00 0.00 C ATOM 699 OG SER A 43 -6.515 13.845 -4.369 1.00 0.00 O ATOM 0 H SER A 43 -4.802 12.255 -5.471 1.00 0.00 H new ATOM 0 HA SER A 43 -4.121 14.964 -4.997 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.242 12.844 -3.100 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.325 14.578 -2.859 1.00 0.00 H new ATOM 0 HG SER A 43 -7.279 13.723 -3.768 1.00 0.00 H new ATOM 705 N LEU A 44 -2.197 12.733 -3.650 1.00 0.00 N ATOM 706 CA LEU A 44 -1.018 12.517 -2.822 1.00 0.00 C ATOM 707 C LEU A 44 0.218 12.304 -3.678 1.00 0.00 C ATOM 708 O LEU A 44 1.264 11.884 -3.182 1.00 0.00 O ATOM 709 CB LEU A 44 -1.235 11.337 -1.862 1.00 0.00 C ATOM 710 CG LEU A 44 -1.663 10.004 -2.492 1.00 0.00 C ATOM 711 CD1 LEU A 44 -0.454 9.208 -2.948 1.00 0.00 C ATOM 712 CD2 LEU A 44 -2.483 9.201 -1.499 1.00 0.00 C ATOM 0 H LEU A 44 -2.487 11.920 -4.193 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.857 13.414 -2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.309 11.171 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.991 11.627 -1.133 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.276 10.216 -3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.783 8.268 -3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.102 9.783 -3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.189 9.001 -2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.783 8.257 -1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.885 9.002 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.371 9.767 -1.219 1.00 0.00 H new ATOM 724 N LYS A 45 0.110 12.635 -4.957 1.00 0.00 N ATOM 725 CA LYS A 45 1.217 12.441 -5.883 1.00 0.00 C ATOM 726 C LYS A 45 2.243 13.585 -5.756 1.00 0.00 C ATOM 727 O LYS A 45 3.289 13.578 -6.407 1.00 0.00 O ATOM 728 CB LYS A 45 0.692 12.233 -7.336 1.00 0.00 C ATOM 729 CG LYS A 45 1.400 13.037 -8.420 1.00 0.00 C ATOM 730 CD LYS A 45 0.870 12.697 -9.799 1.00 0.00 C ATOM 731 CE LYS A 45 -0.465 13.369 -10.044 1.00 0.00 C ATOM 732 NZ LYS A 45 -0.306 14.714 -10.654 1.00 0.00 N ATOM 0 H LYS A 45 -0.729 13.037 -5.376 1.00 0.00 H new ATOM 0 HA LYS A 45 1.749 11.527 -5.619 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.774 11.175 -7.583 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.368 12.484 -7.358 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.267 14.102 -8.230 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.471 12.838 -8.381 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.586 13.014 -10.557 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.761 11.617 -9.895 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.071 12.743 -10.699 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.004 13.460 -9.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.243 15.140 -10.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.251 15.320 -10.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.185 14.626 -11.566 1.00 0.00 H new ATOM 746 N ASN A 46 1.975 14.538 -4.856 1.00 0.00 N ATOM 747 CA ASN A 46 2.909 15.629 -4.600 1.00 0.00 C ATOM 748 C ASN A 46 3.920 15.198 -3.549 1.00 0.00 C ATOM 749 O ASN A 46 4.902 15.891 -3.279 1.00 0.00 O ATOM 750 CB ASN A 46 2.170 16.888 -4.124 1.00 0.00 C ATOM 751 CG ASN A 46 1.497 16.706 -2.774 1.00 0.00 C ATOM 752 OD1 ASN A 46 2.104 16.933 -1.728 1.00 0.00 O ATOM 753 ND2 ASN A 46 0.234 16.309 -2.785 1.00 0.00 N ATOM 0 H ASN A 46 1.122 14.572 -4.298 1.00 0.00 H new ATOM 0 HA ASN A 46 3.424 15.867 -5.531 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.876 17.716 -4.063 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.419 17.163 -4.864 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.268 16.182 -1.906 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.237 16.130 -3.672 1.00 0.00 H new ATOM 760 N SER A 47 3.658 14.043 -2.954 1.00 0.00 N ATOM 761 CA SER A 47 4.525 13.489 -1.935 1.00 0.00 C ATOM 762 C SER A 47 5.794 12.941 -2.581 1.00 0.00 C ATOM 763 O SER A 47 5.718 12.194 -3.563 1.00 0.00 O ATOM 764 CB SER A 47 3.785 12.375 -1.183 1.00 0.00 C ATOM 765 OG SER A 47 2.471 12.779 -0.833 1.00 0.00 O ATOM 0 H SER A 47 2.842 13.469 -3.166 1.00 0.00 H new ATOM 0 HA SER A 47 4.802 14.270 -1.227 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.740 11.481 -1.804 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.339 12.110 -0.282 1.00 0.00 H new ATOM 0 HG SER A 47 1.856 12.563 -1.565 1.00 0.00 H new ATOM 771 N ASN A 48 6.956 13.325 -2.051 1.00 0.00 N ATOM 772 CA ASN A 48 8.229 12.836 -2.576 1.00 0.00 C ATOM 773 C ASN A 48 8.245 11.319 -2.512 1.00 0.00 C ATOM 774 O ASN A 48 7.926 10.738 -1.478 1.00 0.00 O ATOM 775 CB ASN A 48 9.412 13.392 -1.775 1.00 0.00 C ATOM 776 CG ASN A 48 9.530 14.897 -1.851 1.00 0.00 C ATOM 777 OD1 ASN A 48 9.164 15.516 -2.851 1.00 0.00 O ATOM 778 ND2 ASN A 48 10.057 15.494 -0.796 1.00 0.00 N ATOM 0 H ASN A 48 7.041 13.969 -1.264 1.00 0.00 H new ATOM 0 HA ASN A 48 8.328 13.173 -3.608 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.307 13.095 -0.732 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.334 12.943 -2.143 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.174 16.507 -0.789 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.346 14.941 0.011 1.00 0.00 H new ATOM 785 N PRO A 49 8.601 10.656 -3.627 1.00 0.00 N ATOM 786 CA PRO A 49 8.520 9.197 -3.741 1.00 0.00 C ATOM 787 C PRO A 49 9.326 8.454 -2.679 1.00 0.00 C ATOM 788 O PRO A 49 9.057 7.288 -2.415 1.00 0.00 O ATOM 789 CB PRO A 49 9.060 8.891 -5.142 1.00 0.00 C ATOM 790 CG PRO A 49 9.754 10.132 -5.591 1.00 0.00 C ATOM 791 CD PRO A 49 9.105 11.277 -4.865 1.00 0.00 C ATOM 0 HA PRO A 49 7.495 8.859 -3.587 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.747 8.045 -5.120 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.251 8.627 -5.824 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.819 10.084 -5.364 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.664 10.257 -6.670 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.818 12.074 -4.653 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.298 11.718 -5.450 1.00 0.00 H new ATOM 799 N ASP A 50 10.290 9.122 -2.063 1.00 0.00 N ATOM 800 CA ASP A 50 11.075 8.504 -0.996 1.00 0.00 C ATOM 801 C ASP A 50 10.351 8.602 0.349 1.00 0.00 C ATOM 802 O ASP A 50 10.421 7.692 1.164 1.00 0.00 O ATOM 803 CB ASP A 50 12.470 9.134 -0.912 1.00 0.00 C ATOM 804 CG ASP A 50 13.240 8.707 0.327 1.00 0.00 C ATOM 805 OD1 ASP A 50 13.315 7.492 0.602 1.00 0.00 O ATOM 806 OD2 ASP A 50 13.780 9.591 1.030 1.00 0.00 O ATOM 0 H ASP A 50 10.549 10.085 -2.279 1.00 0.00 H new ATOM 0 HA ASP A 50 11.193 7.447 -1.236 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.040 8.861 -1.800 1.00 0.00 H new ATOM 0 HB3 ASP A 50 12.373 10.220 -0.917 1.00 0.00 H new ATOM 811 N GLU A 51 9.606 9.679 0.538 1.00 0.00 N ATOM 812 CA GLU A 51 8.902 9.935 1.791 1.00 0.00 C ATOM 813 C GLU A 51 7.428 10.192 1.500 1.00 0.00 C ATOM 814 O GLU A 51 6.932 11.299 1.701 1.00 0.00 O ATOM 815 CB GLU A 51 9.498 11.163 2.499 1.00 0.00 C ATOM 816 CG GLU A 51 10.728 10.867 3.335 1.00 0.00 C ATOM 817 CD GLU A 51 11.289 12.116 3.981 1.00 0.00 C ATOM 818 OE1 GLU A 51 10.809 12.501 5.069 1.00 0.00 O ATOM 819 OE2 GLU A 51 12.205 12.731 3.398 1.00 0.00 O ATOM 0 H GLU A 51 9.470 10.401 -0.169 1.00 0.00 H new ATOM 0 HA GLU A 51 9.009 9.065 2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.755 11.911 1.749 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.735 11.604 3.140 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.475 10.141 4.108 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.492 10.410 2.706 1.00 0.00 H new ATOM 826 N ILE A 52 6.729 9.178 1.017 1.00 0.00 N ATOM 827 CA ILE A 52 5.380 9.383 0.524 1.00 0.00 C ATOM 828 C ILE A 52 4.376 9.466 1.672 1.00 0.00 C ATOM 829 O ILE A 52 4.511 8.780 2.685 1.00 0.00 O ATOM 830 CB ILE A 52 4.968 8.293 -0.488 1.00 0.00 C ATOM 831 CG1 ILE A 52 4.536 7.027 0.205 1.00 0.00 C ATOM 832 CG2 ILE A 52 6.125 7.970 -1.410 1.00 0.00 C ATOM 833 CD1 ILE A 52 3.732 6.131 -0.699 1.00 0.00 C ATOM 0 H ILE A 52 7.068 8.218 0.957 1.00 0.00 H new ATOM 0 HA ILE A 52 5.373 10.338 -0.001 1.00 0.00 H new ATOM 0 HB ILE A 52 4.127 8.685 -1.060 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.416 6.489 0.558 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.943 7.280 1.084 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.821 7.200 -2.119 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.419 8.868 -1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.969 7.609 -0.822 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.443 5.231 -0.156 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.837 6.658 -1.031 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.333 5.855 -1.565 1.00 0.00 H new ATOM 845 N GLU A 53 3.386 10.329 1.502 1.00 0.00 N ATOM 846 CA GLU A 53 2.386 10.586 2.518 1.00 0.00 C ATOM 847 C GLU A 53 1.054 9.984 2.073 1.00 0.00 C ATOM 848 O GLU A 53 0.415 10.497 1.153 1.00 0.00 O ATOM 849 CB GLU A 53 2.248 12.100 2.683 1.00 0.00 C ATOM 850 CG GLU A 53 2.202 12.602 4.118 1.00 0.00 C ATOM 851 CD GLU A 53 1.308 11.789 5.025 1.00 0.00 C ATOM 852 OE1 GLU A 53 0.092 12.051 5.056 1.00 0.00 O ATOM 853 OE2 GLU A 53 1.835 10.913 5.740 1.00 0.00 O ATOM 0 H GLU A 53 3.256 10.872 0.649 1.00 0.00 H new ATOM 0 HA GLU A 53 2.678 10.137 3.467 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.084 12.581 2.175 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.339 12.422 2.175 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.213 12.601 4.525 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.859 13.637 4.119 1.00 0.00 H new ATOM 860 N ILE A 54 0.641 8.898 2.707 1.00 0.00 N ATOM 861 CA ILE A 54 -0.582 8.202 2.300 1.00 0.00 C ATOM 862 C ILE A 54 -1.739 8.525 3.239 1.00 0.00 C ATOM 863 O ILE A 54 -1.613 8.383 4.458 1.00 0.00 O ATOM 864 CB ILE A 54 -0.381 6.674 2.266 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.723 6.288 1.286 1.00 0.00 C ATOM 866 CG2 ILE A 54 -1.674 5.985 1.874 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.094 4.825 1.359 1.00 0.00 C ATOM 0 H ILE A 54 1.126 8.478 3.500 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.820 8.553 1.296 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.086 6.351 3.265 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.400 6.525 0.272 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.608 6.892 1.488 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.520 4.906 1.853 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.450 6.227 2.600 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.983 6.326 0.886 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.884 4.614 0.638 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.446 4.589 2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.220 4.216 1.128 1.00 0.00 H new ATOM 879 N ASP A 55 -2.872 8.933 2.668 1.00 0.00 N ATOM 880 CA ASP A 55 -4.040 9.274 3.445 1.00 0.00 C ATOM 881 C ASP A 55 -4.976 8.077 3.513 1.00 0.00 C ATOM 882 O ASP A 55 -6.025 8.057 2.876 1.00 0.00 O ATOM 883 CB ASP A 55 -4.742 10.500 2.813 1.00 0.00 C ATOM 884 CG ASP A 55 -4.760 10.471 1.294 1.00 0.00 C ATOM 885 OD1 ASP A 55 -3.785 10.953 0.685 1.00 0.00 O ATOM 886 OD2 ASP A 55 -5.755 9.992 0.707 1.00 0.00 O ATOM 0 H ASP A 55 -2.995 9.033 1.660 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.747 9.535 4.462 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.767 10.551 3.180 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.239 11.408 3.145 1.00 0.00 H new ATOM 891 N PHE A 56 -4.592 7.088 4.316 1.00 0.00 N ATOM 892 CA PHE A 56 -5.267 5.791 4.343 1.00 0.00 C ATOM 893 C PHE A 56 -6.763 5.892 4.627 1.00 0.00 C ATOM 894 O PHE A 56 -7.523 4.986 4.294 1.00 0.00 O ATOM 895 CB PHE A 56 -4.605 4.867 5.361 1.00 0.00 C ATOM 896 CG PHE A 56 -3.872 3.732 4.716 1.00 0.00 C ATOM 897 CD1 PHE A 56 -4.548 2.580 4.371 1.00 0.00 C ATOM 898 CD2 PHE A 56 -2.522 3.821 4.433 1.00 0.00 C ATOM 899 CE1 PHE A 56 -3.898 1.533 3.759 1.00 0.00 C ATOM 900 CE2 PHE A 56 -1.861 2.776 3.816 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.554 1.626 3.478 1.00 0.00 C ATOM 0 H PHE A 56 -3.808 7.161 4.964 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.165 5.374 3.341 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.910 5.443 5.972 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.365 4.469 6.033 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.604 2.499 4.585 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.978 4.716 4.697 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.443 0.638 3.499 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.806 2.856 3.598 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.042 0.806 2.996 1.00 0.00 H new ATOM 911 N GLU A 57 -7.189 6.994 5.221 1.00 0.00 N ATOM 912 CA GLU A 57 -8.588 7.176 5.557 1.00 0.00 C ATOM 913 C GLU A 57 -9.385 7.735 4.385 1.00 0.00 C ATOM 914 O GLU A 57 -10.614 7.740 4.411 1.00 0.00 O ATOM 915 CB GLU A 57 -8.710 8.093 6.762 1.00 0.00 C ATOM 916 CG GLU A 57 -8.117 7.499 8.027 1.00 0.00 C ATOM 917 CD GLU A 57 -8.894 6.308 8.554 1.00 0.00 C ATOM 918 OE1 GLU A 57 -9.396 5.496 7.745 1.00 0.00 O ATOM 919 OE2 GLU A 57 -8.992 6.178 9.793 1.00 0.00 O ATOM 0 H GLU A 57 -6.586 7.775 5.480 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.006 6.198 5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.212 9.038 6.544 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.762 8.320 6.933 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.089 7.194 7.830 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.079 8.269 8.798 1.00 0.00 H new ATOM 926 N THR A 58 -8.691 8.189 3.358 1.00 0.00 N ATOM 927 CA THR A 58 -9.350 8.814 2.223 1.00 0.00 C ATOM 928 C THR A 58 -8.899 8.211 0.901 1.00 0.00 C ATOM 929 O THR A 58 -9.146 8.772 -0.166 1.00 0.00 O ATOM 930 CB THR A 58 -9.127 10.337 2.218 1.00 0.00 C ATOM 931 OG1 THR A 58 -7.731 10.645 2.276 1.00 0.00 O ATOM 932 CG2 THR A 58 -9.815 10.960 3.411 1.00 0.00 C ATOM 0 H THR A 58 -7.675 8.138 3.285 1.00 0.00 H new ATOM 0 HA THR A 58 -10.417 8.619 2.332 1.00 0.00 H new ATOM 0 HB THR A 58 -9.544 10.738 1.294 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.292 10.329 1.459 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.654 12.038 3.402 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.884 10.753 3.364 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.404 10.539 4.329 1.00 0.00 H new ATOM 940 N LEU A 59 -8.229 7.071 0.975 1.00 0.00 N ATOM 941 CA LEU A 59 -7.925 6.308 -0.233 1.00 0.00 C ATOM 942 C LEU A 59 -9.212 5.664 -0.726 1.00 0.00 C ATOM 943 O LEU A 59 -10.121 5.385 0.064 1.00 0.00 O ATOM 944 CB LEU A 59 -6.886 5.198 0.004 1.00 0.00 C ATOM 945 CG LEU A 59 -5.683 5.560 0.874 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.713 4.387 0.964 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.986 6.814 0.356 1.00 0.00 C ATOM 0 H LEU A 59 -7.889 6.656 1.842 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.504 6.999 -0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.394 4.349 0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.517 4.864 -0.966 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.045 5.778 1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.863 4.665 1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.220 3.528 1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.361 4.129 -0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.134 7.047 0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.639 6.643 -0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.686 7.650 0.366 1.00 0.00 H new ATOM 959 N LYS A 60 -9.295 5.446 -2.018 1.00 0.00 N ATOM 960 CA LYS A 60 -10.419 4.742 -2.600 1.00 0.00 C ATOM 961 C LYS A 60 -10.392 3.284 -2.144 1.00 0.00 C ATOM 962 O LYS A 60 -9.319 2.698 -1.981 1.00 0.00 O ATOM 963 CB LYS A 60 -10.342 4.818 -4.126 1.00 0.00 C ATOM 964 CG LYS A 60 -10.258 6.235 -4.670 1.00 0.00 C ATOM 965 CD LYS A 60 -10.286 6.247 -6.189 1.00 0.00 C ATOM 966 CE LYS A 60 -10.042 7.641 -6.746 1.00 0.00 C ATOM 967 NZ LYS A 60 -8.638 8.092 -6.541 1.00 0.00 N ATOM 0 H LYS A 60 -8.592 5.748 -2.693 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.350 5.204 -2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.470 4.258 -4.464 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.219 4.329 -4.549 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.090 6.825 -4.284 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.342 6.708 -4.318 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.528 5.564 -6.572 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.251 5.880 -6.538 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.273 7.650 -7.811 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.722 8.346 -6.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.552 9.092 -6.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.380 7.981 -5.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.000 7.518 -7.128 1.00 0.00 H new ATOM 981 N PRO A 61 -11.571 2.682 -1.910 1.00 0.00 N ATOM 982 CA PRO A 61 -11.668 1.276 -1.506 1.00 0.00 C ATOM 983 C PRO A 61 -11.018 0.344 -2.528 1.00 0.00 C ATOM 984 O PRO A 61 -10.482 -0.705 -2.172 1.00 0.00 O ATOM 985 CB PRO A 61 -13.176 1.012 -1.417 1.00 0.00 C ATOM 986 CG PRO A 61 -13.824 2.356 -1.340 1.00 0.00 C ATOM 987 CD PRO A 61 -12.889 3.334 -2.003 1.00 0.00 C ATOM 0 HA PRO A 61 -11.147 1.088 -0.567 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.528 0.458 -2.288 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.416 0.412 -0.539 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.792 2.347 -1.842 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.005 2.638 -0.303 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.172 3.517 -3.040 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.894 4.299 -1.496 1.00 0.00 H new ATOM 995 N SER A 62 -11.061 0.744 -3.795 1.00 0.00 N ATOM 996 CA SER A 62 -10.383 0.013 -4.859 1.00 0.00 C ATOM 997 C SER A 62 -8.868 0.083 -4.678 1.00 0.00 C ATOM 998 O SER A 62 -8.155 -0.887 -4.937 1.00 0.00 O ATOM 999 CB SER A 62 -10.798 0.577 -6.219 1.00 0.00 C ATOM 1000 OG SER A 62 -10.868 1.993 -6.178 1.00 0.00 O ATOM 0 H SER A 62 -11.561 1.575 -4.111 1.00 0.00 H new ATOM 0 HA SER A 62 -10.676 -1.036 -4.812 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.083 0.266 -6.980 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.767 0.169 -6.506 1.00 0.00 H new ATOM 0 HG SER A 62 -11.133 2.333 -7.058 1.00 0.00 H new ATOM 1006 N THR A 63 -8.387 1.229 -4.212 1.00 0.00 N ATOM 1007 CA THR A 63 -6.974 1.407 -3.925 1.00 0.00 C ATOM 1008 C THR A 63 -6.554 0.476 -2.795 1.00 0.00 C ATOM 1009 O THR A 63 -5.646 -0.330 -2.961 1.00 0.00 O ATOM 1010 CB THR A 63 -6.649 2.870 -3.538 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.415 3.761 -4.354 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.174 3.172 -3.736 1.00 0.00 C ATOM 0 H THR A 63 -8.960 2.052 -4.025 1.00 0.00 H new ATOM 0 HA THR A 63 -6.419 1.166 -4.831 1.00 0.00 H new ATOM 0 HB THR A 63 -6.899 3.007 -2.486 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.550 4.607 -3.877 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.974 4.206 -3.457 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.579 2.506 -3.111 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.909 3.021 -4.782 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.255 0.564 -1.662 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.961 -0.275 -0.499 1.00 0.00 C ATOM 1022 C LEU A 64 -6.954 -1.751 -0.871 1.00 0.00 C ATOM 1023 O LEU A 64 -6.059 -2.498 -0.478 1.00 0.00 O ATOM 1024 CB LEU A 64 -7.993 -0.040 0.613 1.00 0.00 C ATOM 1025 CG LEU A 64 -7.917 1.319 1.309 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -9.093 1.510 2.258 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -6.619 1.441 2.074 1.00 0.00 C ATOM 0 H LEU A 64 -8.032 1.210 -1.526 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.970 0.003 -0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.990 -0.155 0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.874 -0.820 1.365 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.959 2.094 0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.016 2.484 2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.026 1.456 1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.080 0.727 3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.576 2.413 2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.563 0.652 2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.780 1.346 1.385 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.941 -2.161 -1.648 1.00 0.00 N ATOM 1040 CA ARG A 65 -8.076 -3.557 -2.032 1.00 0.00 C ATOM 1041 C ARG A 65 -6.918 -3.977 -2.941 1.00 0.00 C ATOM 1042 O ARG A 65 -6.473 -5.120 -2.904 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.421 -3.773 -2.729 1.00 0.00 C ATOM 1044 CG ARG A 65 -9.801 -5.238 -2.975 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.392 -6.201 -1.845 1.00 0.00 C ATOM 1046 NE ARG A 65 -10.069 -7.490 -1.972 1.00 0.00 N ATOM 1047 CZ ARG A 65 -10.295 -8.320 -0.952 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -9.858 -8.021 0.268 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -10.944 -9.458 -1.155 1.00 0.00 N ATOM 0 H ARG A 65 -8.662 -1.547 -2.026 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.042 -4.178 -1.137 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.202 -3.308 -2.128 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.403 -3.253 -3.687 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.880 -5.302 -3.117 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.337 -5.570 -3.904 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.313 -6.352 -1.866 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.633 -5.755 -0.880 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.389 -7.773 -2.898 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.347 -7.153 0.428 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.034 -8.660 1.044 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.270 -9.699 -2.091 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.117 -10.093 -0.375 1.00 0.00 H new ATOM 1063 N GLU A 66 -6.418 -3.031 -3.730 1.00 0.00 N ATOM 1064 CA GLU A 66 -5.304 -3.286 -4.635 1.00 0.00 C ATOM 1065 C GLU A 66 -4.005 -3.370 -3.848 1.00 0.00 C ATOM 1066 O GLU A 66 -3.145 -4.208 -4.123 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.227 -2.174 -5.685 1.00 0.00 C ATOM 1068 CG GLU A 66 -4.016 -2.253 -6.603 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.022 -3.479 -7.493 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -4.603 -3.408 -8.597 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -3.435 -4.512 -7.110 1.00 0.00 O ATOM 0 H GLU A 66 -6.770 -2.074 -3.760 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.461 -4.237 -5.144 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.131 -2.204 -6.294 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.218 -1.211 -5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.982 -1.359 -7.226 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.109 -2.255 -5.998 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.893 -2.520 -2.843 1.00 0.00 N ATOM 1079 CA LEU A 67 -2.711 -2.465 -2.017 1.00 0.00 C ATOM 1080 C LEU A 67 -2.596 -3.761 -1.232 1.00 0.00 C ATOM 1081 O LEU A 67 -1.561 -4.426 -1.247 1.00 0.00 O ATOM 1082 CB LEU A 67 -2.818 -1.263 -1.077 1.00 0.00 C ATOM 1083 CG LEU A 67 -3.090 0.070 -1.776 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.233 1.189 -0.763 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -1.988 0.388 -2.766 1.00 0.00 C ATOM 0 H LEU A 67 -4.619 -1.853 -2.581 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.818 -2.349 -2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.616 -1.451 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.891 -1.178 -0.510 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.029 -0.019 -2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.426 2.128 -1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.063 0.968 -0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.313 1.277 -0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.200 1.340 -3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.035 0.453 -2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.935 -0.400 -3.517 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.701 -4.137 -0.597 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.754 -5.354 0.201 1.00 0.00 C ATOM 1099 C GLU A 68 -3.578 -6.594 -0.664 1.00 0.00 C ATOM 1100 O GLU A 68 -2.795 -7.483 -0.330 1.00 0.00 O ATOM 1101 CB GLU A 68 -5.078 -5.459 0.955 1.00 0.00 C ATOM 1102 CG GLU A 68 -5.214 -6.762 1.741 1.00 0.00 C ATOM 1103 CD GLU A 68 -6.516 -6.856 2.503 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -7.543 -7.217 1.887 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -6.517 -6.600 3.722 1.00 0.00 O ATOM 0 H GLU A 68 -4.576 -3.613 -0.621 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.933 -5.299 0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.168 -4.616 1.640 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.902 -5.381 0.245 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.140 -7.605 1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.382 -6.847 2.441 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.295 -6.646 -1.789 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.292 -7.840 -2.635 1.00 0.00 C ATOM 1114 C ARG A 69 -2.891 -8.117 -3.147 1.00 0.00 C ATOM 1115 O ARG A 69 -2.486 -9.267 -3.339 1.00 0.00 O ATOM 1116 CB ARG A 69 -5.239 -7.688 -3.822 1.00 0.00 C ATOM 1117 CG ARG A 69 -5.348 -8.954 -4.642 1.00 0.00 C ATOM 1118 CD ARG A 69 -5.888 -8.679 -6.038 1.00 0.00 C ATOM 1119 NE ARG A 69 -5.145 -7.621 -6.726 1.00 0.00 N ATOM 1120 CZ ARG A 69 -5.068 -7.502 -8.050 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -5.646 -8.396 -8.842 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -4.414 -6.483 -8.584 1.00 0.00 N ATOM 0 H ARG A 69 -4.879 -5.883 -2.132 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.635 -8.675 -2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.228 -7.407 -3.460 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.890 -6.875 -4.459 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.367 -9.423 -4.718 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.002 -9.662 -4.132 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.843 -9.594 -6.629 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.938 -8.396 -5.969 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.656 -6.932 -6.155 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.154 -9.182 -8.438 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.582 -8.297 -9.855 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.970 -5.790 -7.982 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.354 -6.391 -9.598 1.00 0.00 H new ATOM 1136 N TYR A 70 -2.147 -7.055 -3.344 1.00 0.00 N ATOM 1137 CA TYR A 70 -0.813 -7.163 -3.882 1.00 0.00 C ATOM 1138 C TYR A 70 0.176 -7.572 -2.798 1.00 0.00 C ATOM 1139 O TYR A 70 1.006 -8.455 -3.004 1.00 0.00 O ATOM 1140 CB TYR A 70 -0.394 -5.841 -4.521 1.00 0.00 C ATOM 1141 CG TYR A 70 1.082 -5.766 -4.796 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.636 -6.377 -5.912 1.00 0.00 C ATOM 1143 CD2 TYR A 70 1.922 -5.103 -3.920 1.00 0.00 C ATOM 1144 CE1 TYR A 70 2.992 -6.325 -6.146 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.280 -5.048 -4.144 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.811 -5.662 -5.261 1.00 0.00 C ATOM 1147 OH TYR A 70 5.165 -5.621 -5.491 1.00 0.00 O ATOM 0 H TYR A 70 -2.445 -6.102 -3.138 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.812 -7.937 -4.649 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.940 -5.706 -5.455 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.678 -5.019 -3.864 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.995 -6.900 -6.606 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.507 -4.621 -3.047 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.411 -6.802 -7.020 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.925 -4.528 -3.451 1.00 0.00 H new ATOM 0 HH TYR A 70 5.575 -4.945 -4.912 1.00 0.00 H new ATOM 1157 N VAL A 71 0.087 -6.940 -1.640 1.00 0.00 N ATOM 1158 CA VAL A 71 1.019 -7.228 -0.566 1.00 0.00 C ATOM 1159 C VAL A 71 0.802 -8.622 -0.007 1.00 0.00 C ATOM 1160 O VAL A 71 1.759 -9.358 0.198 1.00 0.00 O ATOM 1161 CB VAL A 71 0.929 -6.198 0.567 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.274 -4.818 0.052 1.00 0.00 C ATOM 1163 CG2 VAL A 71 -0.442 -6.204 1.206 1.00 0.00 C ATOM 0 H VAL A 71 -0.614 -6.232 -1.422 1.00 0.00 H new ATOM 0 HA VAL A 71 2.017 -7.171 -1.000 1.00 0.00 H new ATOM 0 HB VAL A 71 1.653 -6.474 1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.206 -4.098 0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.289 -4.821 -0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.576 -4.539 -0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.474 -5.464 2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.194 -5.961 0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.647 -7.192 1.618 1.00 0.00 H new ATOM 1173 N THR A 72 -0.457 -8.994 0.210 1.00 0.00 N ATOM 1174 CA THR A 72 -0.783 -10.312 0.727 1.00 0.00 C ATOM 1175 C THR A 72 -0.243 -11.395 -0.206 1.00 0.00 C ATOM 1176 O THR A 72 0.158 -12.468 0.238 1.00 0.00 O ATOM 1177 CB THR A 72 -2.308 -10.478 0.943 1.00 0.00 C ATOM 1178 OG1 THR A 72 -2.584 -11.675 1.678 1.00 0.00 O ATOM 1179 CG2 THR A 72 -3.060 -10.521 -0.373 1.00 0.00 C ATOM 0 H THR A 72 -1.266 -8.398 0.034 1.00 0.00 H new ATOM 0 HA THR A 72 -0.304 -10.419 1.700 1.00 0.00 H new ATOM 0 HB THR A 72 -2.647 -9.610 1.509 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.551 -11.764 1.807 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.126 -10.638 -0.179 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.890 -9.593 -0.919 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.705 -11.363 -0.968 1.00 0.00 H new ATOM 1187 N SER A 73 -0.182 -11.079 -1.495 1.00 0.00 N ATOM 1188 CA SER A 73 0.354 -12.003 -2.483 1.00 0.00 C ATOM 1189 C SER A 73 1.866 -12.175 -2.291 1.00 0.00 C ATOM 1190 O SER A 73 2.446 -13.192 -2.675 1.00 0.00 O ATOM 1191 CB SER A 73 0.044 -11.501 -3.899 1.00 0.00 C ATOM 1192 OG SER A 73 1.048 -10.623 -4.386 1.00 0.00 O ATOM 0 H SER A 73 -0.498 -10.188 -1.879 1.00 0.00 H new ATOM 0 HA SER A 73 -0.121 -12.975 -2.347 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.050 -12.353 -4.573 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.917 -10.987 -3.899 1.00 0.00 H new ATOM 0 HG SER A 73 1.226 -9.927 -3.719 1.00 0.00 H new ATOM 1198 N CYS A 74 2.491 -11.160 -1.701 1.00 0.00 N ATOM 1199 CA CYS A 74 3.927 -11.173 -1.443 1.00 0.00 C ATOM 1200 C CYS A 74 4.239 -11.757 -0.065 1.00 0.00 C ATOM 1201 O CYS A 74 5.098 -12.623 0.061 1.00 0.00 O ATOM 1202 CB CYS A 74 4.501 -9.757 -1.561 1.00 0.00 C ATOM 1203 SG CYS A 74 6.289 -9.657 -1.307 1.00 0.00 S ATOM 0 H CYS A 74 2.020 -10.311 -1.390 1.00 0.00 H new ATOM 0 HA CYS A 74 4.396 -11.811 -2.192 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.263 -9.362 -2.549 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.006 -9.115 -0.833 1.00 0.00 H new ATOM 0 HG CYS A 74 6.697 -10.716 -0.673 1.00 0.00 H new ATOM 1209 N LEU A 75 3.552 -11.262 0.967 1.00 0.00 N ATOM 1210 CA LEU A 75 3.727 -11.750 2.340 1.00 0.00 C ATOM 1211 C LEU A 75 3.541 -13.264 2.413 1.00 0.00 C ATOM 1212 O LEU A 75 4.232 -13.955 3.161 1.00 0.00 O ATOM 1213 CB LEU A 75 2.715 -11.083 3.272 1.00 0.00 C ATOM 1214 CG LEU A 75 2.422 -9.623 2.983 1.00 0.00 C ATOM 1215 CD1 LEU A 75 1.229 -9.170 3.790 1.00 0.00 C ATOM 1216 CD2 LEU A 75 3.634 -8.775 3.305 1.00 0.00 C ATOM 0 H LEU A 75 2.862 -10.516 0.877 1.00 0.00 H new ATOM 0 HA LEU A 75 4.741 -11.500 2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.779 -11.640 3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.081 -11.166 4.295 1.00 0.00 H new ATOM 0 HG LEU A 75 2.192 -9.507 1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.024 -8.121 3.578 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.360 -9.771 3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.441 -9.291 4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.413 -7.729 3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.887 -8.887 4.359 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.477 -9.098 2.694 1.00 0.00 H new ATOM 1228 N ARG A 76 2.613 -13.770 1.614 1.00 0.00 N ATOM 1229 CA ARG A 76 2.286 -15.191 1.605 1.00 0.00 C ATOM 1230 C ARG A 76 3.178 -15.951 0.622 1.00 0.00 C ATOM 1231 O ARG A 76 2.859 -17.067 0.204 1.00 0.00 O ATOM 1232 CB ARG A 76 0.808 -15.375 1.267 1.00 0.00 C ATOM 1233 CG ARG A 76 -0.110 -14.910 2.385 1.00 0.00 C ATOM 1234 CD ARG A 76 -1.490 -14.541 1.871 1.00 0.00 C ATOM 1235 NE ARG A 76 -2.166 -15.643 1.194 1.00 0.00 N ATOM 1236 CZ ARG A 76 -3.286 -15.491 0.489 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -3.840 -14.288 0.377 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -3.849 -16.538 -0.100 1.00 0.00 N ATOM 0 H ARG A 76 2.068 -13.212 0.957 1.00 0.00 H new ATOM 0 HA ARG A 76 2.471 -15.604 2.597 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.576 -14.821 0.357 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.615 -16.427 1.058 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.200 -15.699 3.132 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.334 -14.048 2.884 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.104 -14.205 2.707 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.401 -13.700 1.183 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.761 -16.576 1.264 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.408 -13.483 0.830 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.698 -14.170 -0.162 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.424 -17.461 -0.013 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.707 -16.420 -0.639 1.00 0.00 H new ATOM 1252 N LYS A 77 4.295 -15.325 0.268 1.00 0.00 N ATOM 1253 CA LYS A 77 5.301 -15.919 -0.604 1.00 0.00 C ATOM 1254 C LYS A 77 6.666 -15.316 -0.295 1.00 0.00 C ATOM 1255 O LYS A 77 6.841 -14.657 0.730 1.00 0.00 O ATOM 1256 CB LYS A 77 4.966 -15.682 -2.076 1.00 0.00 C ATOM 1257 CG LYS A 77 4.118 -16.774 -2.696 1.00 0.00 C ATOM 1258 CD LYS A 77 3.762 -16.435 -4.134 1.00 0.00 C ATOM 1259 CE LYS A 77 2.889 -17.501 -4.775 1.00 0.00 C ATOM 1260 NZ LYS A 77 2.507 -17.134 -6.167 1.00 0.00 N ATOM 0 H LYS A 77 4.529 -14.383 0.581 1.00 0.00 H new ATOM 0 HA LYS A 77 5.316 -16.994 -0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.442 -14.731 -2.171 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.894 -15.592 -2.640 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.657 -17.721 -2.664 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.206 -16.907 -2.113 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.243 -15.477 -4.162 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.677 -16.319 -4.715 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.422 -18.452 -4.782 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.990 -17.644 -4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.912 -17.884 -6.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.977 -16.239 -6.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.365 -17.022 -6.744 1.00 0.00 H new ATOM 1274 N LYS A 78 7.631 -15.550 -1.169 1.00 0.00 N ATOM 1275 CA LYS A 78 8.922 -14.897 -1.070 1.00 0.00 C ATOM 1276 C LYS A 78 9.178 -14.042 -2.308 1.00 0.00 C ATOM 1277 O LYS A 78 8.835 -12.855 -2.323 1.00 0.00 O ATOM 1278 CB LYS A 78 10.043 -15.923 -0.882 1.00 0.00 C ATOM 1279 CG LYS A 78 10.422 -16.172 0.572 1.00 0.00 C ATOM 1280 CD LYS A 78 9.294 -16.798 1.377 1.00 0.00 C ATOM 1281 CE LYS A 78 8.924 -18.177 0.859 1.00 0.00 C ATOM 1282 NZ LYS A 78 7.908 -18.831 1.722 1.00 0.00 N ATOM 0 H LYS A 78 7.542 -16.191 -1.958 1.00 0.00 H new ATOM 0 HA LYS A 78 8.911 -14.249 -0.194 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.736 -16.867 -1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.926 -15.583 -1.423 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.294 -16.825 0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.711 -15.228 1.034 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.592 -16.871 2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.419 -16.150 1.340 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.539 -18.093 -0.157 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.817 -18.800 0.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.679 -19.770 1.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.285 -18.933 2.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.047 -18.248 1.747 1.00 0.00 H new ATOM 1296 N ARG A 79 9.747 -14.663 -3.345 1.00 0.00 N ATOM 1297 CA ARG A 79 10.056 -13.996 -4.614 1.00 0.00 C ATOM 1298 C ARG A 79 10.883 -12.731 -4.376 1.00 0.00 C ATOM 1299 O ARG A 79 10.337 -11.635 -4.229 1.00 0.00 O ATOM 1300 CB ARG A 79 8.761 -13.673 -5.375 1.00 0.00 C ATOM 1301 CG ARG A 79 8.927 -13.533 -6.887 1.00 0.00 C ATOM 1302 CD ARG A 79 9.668 -12.262 -7.286 1.00 0.00 C ATOM 1303 NE ARG A 79 9.799 -12.139 -8.738 1.00 0.00 N ATOM 1304 CZ ARG A 79 9.892 -10.977 -9.389 1.00 0.00 C ATOM 1305 NH1 ARG A 79 9.925 -9.831 -8.720 1.00 0.00 N ATOM 1306 NH2 ARG A 79 9.969 -10.963 -10.713 1.00 0.00 N ATOM 0 H ARG A 79 10.008 -15.649 -3.328 1.00 0.00 H new ATOM 0 HA ARG A 79 10.653 -14.673 -5.225 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.032 -14.458 -5.174 1.00 0.00 H new ATOM 0 HB3 ARG A 79 8.346 -12.745 -4.981 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.468 -14.398 -7.270 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.944 -13.538 -7.358 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.137 -11.394 -6.895 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.658 -12.261 -6.831 1.00 0.00 H new ATOM 0 HE ARG A 79 9.821 -12.997 -9.289 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.879 -9.834 -7.701 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.996 -8.948 -9.225 1.00 0.00 H new ATOM 0 HH21 ARG A 79 9.957 -11.840 -11.234 1.00 0.00 H new ATOM 0 HH22 ARG A 79 10.040 -10.075 -11.210 1.00 0.00 H new ATOM 1320 N LYS A 80 12.198 -12.884 -4.363 1.00 0.00 N ATOM 1321 CA LYS A 80 13.097 -11.767 -4.084 1.00 0.00 C ATOM 1322 C LYS A 80 14.507 -12.102 -4.573 1.00 0.00 C ATOM 1323 O LYS A 80 15.400 -12.408 -3.780 1.00 0.00 O ATOM 1324 CB LYS A 80 13.116 -11.420 -2.575 1.00 0.00 C ATOM 1325 CG LYS A 80 14.034 -10.256 -2.218 1.00 0.00 C ATOM 1326 CD LYS A 80 14.110 -10.046 -0.712 1.00 0.00 C ATOM 1327 CE LYS A 80 15.023 -8.882 -0.350 1.00 0.00 C ATOM 1328 NZ LYS A 80 15.171 -8.727 1.122 1.00 0.00 N ATOM 0 H LYS A 80 12.670 -13.770 -4.542 1.00 0.00 H new ATOM 0 HA LYS A 80 12.730 -10.891 -4.619 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.102 -11.181 -2.255 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.428 -12.301 -2.014 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.033 -10.446 -2.611 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.671 -9.346 -2.695 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.110 -9.860 -0.320 1.00 0.00 H new ATOM 0 HD3 LYS A 80 14.475 -10.956 -0.236 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.004 -9.038 -0.799 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.622 -7.961 -0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 15.800 -7.924 1.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.238 -8.553 1.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.578 -9.596 1.523 1.00 0.00 H new ATOM 1342 N PRO A 81 14.723 -12.079 -5.899 1.00 0.00 N ATOM 1343 CA PRO A 81 16.049 -12.291 -6.481 1.00 0.00 C ATOM 1344 C PRO A 81 16.914 -11.037 -6.380 1.00 0.00 C ATOM 1345 O PRO A 81 18.016 -10.975 -6.926 1.00 0.00 O ATOM 1346 CB PRO A 81 15.741 -12.623 -7.939 1.00 0.00 C ATOM 1347 CG PRO A 81 14.474 -11.897 -8.229 1.00 0.00 C ATOM 1348 CD PRO A 81 13.694 -11.871 -6.938 1.00 0.00 C ATOM 0 HA PRO A 81 16.613 -13.071 -5.969 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.545 -12.296 -8.598 1.00 0.00 H new ATOM 0 HB3 PRO A 81 15.625 -13.697 -8.085 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.678 -10.885 -8.580 1.00 0.00 H new ATOM 0 HG3 PRO A 81 13.909 -12.400 -9.014 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.176 -10.922 -6.803 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.936 -12.654 -6.913 1.00 0.00 H new ATOM 1356 N GLN A 82 16.400 -10.050 -5.661 1.00 0.00 N ATOM 1357 CA GLN A 82 17.092 -8.788 -5.466 1.00 0.00 C ATOM 1358 C GLN A 82 17.509 -8.657 -4.006 1.00 0.00 C ATOM 1359 O GLN A 82 16.808 -8.047 -3.198 1.00 0.00 O ATOM 1360 CB GLN A 82 16.180 -7.622 -5.864 1.00 0.00 C ATOM 1361 CG GLN A 82 16.886 -6.275 -5.925 1.00 0.00 C ATOM 1362 CD GLN A 82 17.986 -6.227 -6.972 1.00 0.00 C ATOM 1363 OE1 GLN A 82 17.822 -6.982 -8.048 1.00 0.00 O flip ATOM 1364 NE2 GLN A 82 18.971 -5.508 -6.817 1.00 0.00 N flip ATOM 0 H GLN A 82 15.493 -10.103 -5.198 1.00 0.00 H new ATOM 0 HA GLN A 82 17.982 -8.763 -6.095 1.00 0.00 H new ATOM 0 HB2 GLN A 82 15.741 -7.835 -6.839 1.00 0.00 H new ATOM 0 HB3 GLN A 82 15.358 -7.558 -5.151 1.00 0.00 H new ATOM 0 HG2 GLN A 82 16.154 -5.497 -6.140 1.00 0.00 H new ATOM 0 HG3 GLN A 82 17.313 -6.050 -4.947 1.00 0.00 H new ATOM 0 HE21 GLN A 82 19.061 -4.941 -5.974 1.00 0.00 H new ATOM 0 HE22 GLN A 82 19.698 -5.478 -7.531 1.00 0.00 H new ATOM 1373 N ALA A 83 18.645 -9.250 -3.674 1.00 0.00 N ATOM 1374 CA ALA A 83 19.150 -9.244 -2.311 1.00 0.00 C ATOM 1375 C ALA A 83 20.672 -9.286 -2.313 1.00 0.00 C ATOM 1376 O ALA A 83 21.295 -8.206 -2.291 1.00 0.00 O ATOM 1377 CB ALA A 83 18.583 -10.422 -1.531 1.00 0.00 C ATOM 1378 OXT ALA A 83 21.239 -10.397 -2.373 1.00 0.00 O ATOM 0 H ALA A 83 19.240 -9.746 -4.338 1.00 0.00 H new ATOM 0 HA ALA A 83 18.830 -8.323 -1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 83 18.970 -10.404 -0.512 1.00 0.00 H new ATOM 0 HB2 ALA A 83 17.495 -10.353 -1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 83 18.877 -11.354 -2.014 1.00 0.00 H new TER 1384 ALA A 83 ATOM 1385 N GLU B 201 -7.762 7.753 11.555 1.00 0.00 N ATOM 1386 CA GLU B 201 -6.590 8.482 11.019 1.00 0.00 C ATOM 1387 C GLU B 201 -5.393 7.552 10.890 1.00 0.00 C ATOM 1388 O GLU B 201 -4.777 7.175 11.886 1.00 0.00 O ATOM 1389 CB GLU B 201 -6.229 9.679 11.907 1.00 0.00 C ATOM 1390 CG GLU B 201 -7.196 10.853 11.795 1.00 0.00 C ATOM 1391 CD GLU B 201 -8.516 10.620 12.500 1.00 0.00 C ATOM 1392 OE1 GLU B 201 -9.318 9.796 12.018 1.00 0.00 O ATOM 1393 OE2 GLU B 201 -8.763 11.274 13.533 1.00 0.00 O ATOM 0 HA GLU B 201 -6.856 8.855 10.030 1.00 0.00 H new ATOM 0 HB2 GLU B 201 -6.194 9.349 12.945 1.00 0.00 H new ATOM 0 HB3 GLU B 201 -5.227 10.021 11.647 1.00 0.00 H new ATOM 0 HG2 GLU B 201 -6.724 11.743 12.211 1.00 0.00 H new ATOM 0 HG3 GLU B 201 -7.387 11.056 10.741 1.00 0.00 H new ATOM 1402 N ILE B 202 -5.073 7.184 9.658 1.00 0.00 N ATOM 1403 CA ILE B 202 -3.944 6.306 9.381 1.00 0.00 C ATOM 1404 C ILE B 202 -3.069 6.917 8.294 1.00 0.00 C ATOM 1405 O ILE B 202 -3.549 7.227 7.201 1.00 0.00 O ATOM 1406 CB ILE B 202 -4.405 4.897 8.931 1.00 0.00 C ATOM 1407 CG1 ILE B 202 -5.184 4.193 10.046 1.00 0.00 C ATOM 1408 CG2 ILE B 202 -3.212 4.050 8.509 1.00 0.00 C ATOM 1409 CD1 ILE B 202 -4.349 3.891 11.273 1.00 0.00 C ATOM 0 H ILE B 202 -5.584 7.483 8.827 1.00 0.00 H new ATOM 0 HA ILE B 202 -3.378 6.199 10.306 1.00 0.00 H new ATOM 0 HB ILE B 202 -5.067 5.020 8.074 1.00 0.00 H new ATOM 0 HG12 ILE B 202 -6.029 4.817 10.337 1.00 0.00 H new ATOM 0 HG13 ILE B 202 -5.595 3.261 9.658 1.00 0.00 H new ATOM 0 HG21 ILE B 202 -3.558 3.065 8.197 1.00 0.00 H new ATOM 0 HG22 ILE B 202 -2.698 4.534 7.679 1.00 0.00 H new ATOM 0 HG23 ILE B 202 -2.526 3.944 9.349 1.00 0.00 H new ATOM 0 HD11 ILE B 202 -4.967 3.393 12.020 1.00 0.00 H new ATOM 0 HD12 ILE B 202 -3.518 3.241 10.997 1.00 0.00 H new ATOM 0 HD13 ILE B 202 -3.960 4.822 11.686 1.00 0.00 H new ATOM 1421 N LYS B 203 -1.799 7.116 8.598 1.00 0.00 N ATOM 1422 CA LYS B 203 -0.860 7.655 7.628 1.00 0.00 C ATOM 1423 C LYS B 203 0.340 6.730 7.499 1.00 0.00 C ATOM 1424 O LYS B 203 0.875 6.256 8.503 1.00 0.00 O ATOM 1425 CB LYS B 203 -0.403 9.055 8.040 1.00 0.00 C ATOM 1426 CG LYS B 203 -1.542 10.054 8.160 1.00 0.00 C ATOM 1427 CD LYS B 203 -1.039 11.448 8.477 1.00 0.00 C ATOM 1428 CE LYS B 203 -2.186 12.442 8.557 1.00 0.00 C ATOM 1429 NZ LYS B 203 -1.723 13.795 8.952 1.00 0.00 N ATOM 0 H LYS B 203 -1.392 6.912 9.511 1.00 0.00 H new ATOM 0 HA LYS B 203 -1.361 7.727 6.663 1.00 0.00 H new ATOM 0 HB2 LYS B 203 0.117 8.992 8.996 1.00 0.00 H new ATOM 0 HB3 LYS B 203 0.317 9.423 7.309 1.00 0.00 H new ATOM 0 HG2 LYS B 203 -2.106 10.075 7.228 1.00 0.00 H new ATOM 0 HG3 LYS B 203 -2.229 9.729 8.941 1.00 0.00 H new ATOM 0 HD2 LYS B 203 -0.498 11.436 9.423 1.00 0.00 H new ATOM 0 HD3 LYS B 203 -0.332 11.765 7.710 1.00 0.00 H new ATOM 0 HE2 LYS B 203 -2.685 12.498 7.590 1.00 0.00 H new ATOM 0 HE3 LYS B 203 -2.924 12.087 9.277 1.00 0.00 H new ATOM 0 HZ1 LYS B 203 -2.536 14.442 8.995 1.00 0.00 H new ATOM 0 HZ2 LYS B 203 -1.269 13.748 9.887 1.00 0.00 H new ATOM 0 HZ3 LYS B 203 -1.038 14.146 8.252 1.00 0.00 H new ATOM 1443 N LEU B 204 0.753 6.467 6.270 1.00 0.00 N ATOM 1444 CA LEU B 204 1.887 5.587 6.030 1.00 0.00 C ATOM 1445 C LEU B 204 2.993 6.343 5.305 1.00 0.00 C ATOM 1446 O LEU B 204 2.863 6.671 4.124 1.00 0.00 O ATOM 1447 CB LEU B 204 1.466 4.369 5.195 1.00 0.00 C ATOM 1448 CG LEU B 204 2.155 3.036 5.545 1.00 0.00 C ATOM 1449 CD1 LEU B 204 1.846 1.986 4.490 1.00 0.00 C ATOM 1450 CD2 LEU B 204 3.661 3.194 5.692 1.00 0.00 C ATOM 0 H LEU B 204 0.323 6.847 5.427 1.00 0.00 H new ATOM 0 HA LEU B 204 2.256 5.240 6.995 1.00 0.00 H new ATOM 0 HB2 LEU B 204 0.389 4.237 5.300 1.00 0.00 H new ATOM 0 HB3 LEU B 204 1.659 4.590 4.145 1.00 0.00 H new ATOM 0 HG LEU B 204 1.759 2.711 6.507 1.00 0.00 H new ATOM 0 HD11 LEU B 204 2.340 1.050 4.752 1.00 0.00 H new ATOM 0 HD12 LEU B 204 0.769 1.826 4.440 1.00 0.00 H new ATOM 0 HD13 LEU B 204 2.207 2.328 3.520 1.00 0.00 H new ATOM 0 HD21 LEU B 204 4.106 2.230 5.939 1.00 0.00 H new ATOM 0 HD22 LEU B 204 4.082 3.558 4.755 1.00 0.00 H new ATOM 0 HD23 LEU B 204 3.876 3.907 6.488 1.00 0.00 H new ATOM 1462 N LYS B 205 4.069 6.627 6.022 1.00 0.00 N ATOM 1463 CA LYS B 205 5.258 7.215 5.424 1.00 0.00 C ATOM 1464 C LYS B 205 6.181 6.127 4.897 1.00 0.00 C ATOM 1465 O LYS B 205 7.187 5.803 5.532 1.00 0.00 O ATOM 1466 CB LYS B 205 6.027 8.053 6.448 1.00 0.00 C ATOM 1467 CG LYS B 205 5.465 9.442 6.684 1.00 0.00 C ATOM 1468 CD LYS B 205 5.511 10.287 5.421 1.00 0.00 C ATOM 1469 CE LYS B 205 5.421 11.767 5.739 1.00 0.00 C ATOM 1470 NZ LYS B 205 4.233 12.085 6.568 1.00 0.00 N ATOM 0 H LYS B 205 4.143 6.459 7.025 1.00 0.00 H new ATOM 0 HA LYS B 205 4.931 7.854 4.604 1.00 0.00 H new ATOM 0 HB2 LYS B 205 6.043 7.517 7.397 1.00 0.00 H new ATOM 0 HB3 LYS B 205 7.061 8.146 6.117 1.00 0.00 H new ATOM 0 HG2 LYS B 205 4.435 9.364 7.033 1.00 0.00 H new ATOM 0 HG3 LYS B 205 6.032 9.935 7.473 1.00 0.00 H new ATOM 0 HD2 LYS B 205 6.436 10.085 4.881 1.00 0.00 H new ATOM 0 HD3 LYS B 205 4.689 10.005 4.763 1.00 0.00 H new ATOM 0 HE2 LYS B 205 6.324 12.081 6.263 1.00 0.00 H new ATOM 0 HE3 LYS B 205 5.378 12.336 4.810 1.00 0.00 H new ATOM 0 HZ1 LYS B 205 3.951 13.073 6.406 1.00 0.00 H new ATOM 0 HZ2 LYS B 205 3.449 11.454 6.307 1.00 0.00 H new ATOM 0 HZ3 LYS B 205 4.465 11.951 7.573 1.00 0.00 H new ATOM 1484 N ILE B 206 5.851 5.546 3.752 1.00 0.00 N ATOM 1485 CA ILE B 206 6.723 4.533 3.182 1.00 0.00 C ATOM 1486 C ILE B 206 7.994 5.193 2.664 1.00 0.00 C ATOM 1487 O ILE B 206 7.931 6.059 1.789 1.00 0.00 O ATOM 1488 CB ILE B 206 6.113 3.737 2.007 1.00 0.00 C ATOM 1489 CG1 ILE B 206 4.622 3.462 2.150 1.00 0.00 C ATOM 1490 CG2 ILE B 206 6.818 2.413 1.928 1.00 0.00 C ATOM 1491 CD1 ILE B 206 4.017 2.844 0.904 1.00 0.00 C ATOM 0 H ILE B 206 5.010 5.752 3.213 1.00 0.00 H new ATOM 0 HA ILE B 206 6.907 3.829 3.993 1.00 0.00 H new ATOM 0 HB ILE B 206 6.241 4.347 1.113 1.00 0.00 H new ATOM 0 HG12 ILE B 206 4.460 2.795 2.997 1.00 0.00 H new ATOM 0 HG13 ILE B 206 4.105 4.395 2.375 1.00 0.00 H new ATOM 0 HG21 ILE B 206 6.406 1.830 1.105 1.00 0.00 H new ATOM 0 HG22 ILE B 206 7.882 2.577 1.759 1.00 0.00 H new ATOM 0 HG23 ILE B 206 6.678 1.870 2.863 1.00 0.00 H new ATOM 0 HD11 ILE B 206 2.953 2.670 1.064 1.00 0.00 H new ATOM 0 HD12 ILE B 206 4.151 3.521 0.060 1.00 0.00 H new ATOM 0 HD13 ILE B 206 4.511 1.896 0.691 1.00 0.00 H new ATOM 1503 N THR B 207 9.138 4.784 3.186 1.00 0.00 N ATOM 1504 CA THR B 207 10.409 5.344 2.758 1.00 0.00 C ATOM 1505 C THR B 207 11.201 4.337 1.928 1.00 0.00 C ATOM 1506 O THR B 207 11.568 3.271 2.422 1.00 0.00 O ATOM 1507 CB THR B 207 11.244 5.809 3.968 1.00 0.00 C ATOM 1508 OG1 THR B 207 11.303 4.772 4.958 1.00 0.00 O ATOM 1509 CG2 THR B 207 10.652 7.067 4.584 1.00 0.00 C ATOM 0 H THR B 207 9.213 4.066 3.907 1.00 0.00 H new ATOM 0 HA THR B 207 10.192 6.211 2.134 1.00 0.00 H new ATOM 0 HB THR B 207 12.251 6.032 3.617 1.00 0.00 H new ATOM 0 HG1 THR B 207 11.472 3.911 4.521 1.00 0.00 H new ATOM 0 HG21 THR B 207 11.259 7.375 5.436 1.00 0.00 H new ATOM 0 HG22 THR B 207 10.638 7.864 3.841 1.00 0.00 H new ATOM 0 HG23 THR B 207 9.634 6.864 4.918 1.00 0.00 H new ATOM 1517 N LYS B 208 11.453 4.676 0.658 1.00 0.00 N ATOM 1518 CA LYS B 208 12.170 3.787 -0.258 1.00 0.00 C ATOM 1519 C LYS B 208 12.348 4.442 -1.633 1.00 0.00 C ATOM 1520 O LYS B 208 12.266 5.660 -1.747 1.00 0.00 O ATOM 1521 CB LYS B 208 11.472 2.410 -0.385 1.00 0.00 C ATOM 1522 CG LYS B 208 10.200 2.358 -1.237 1.00 0.00 C ATOM 1523 CD LYS B 208 9.075 3.216 -0.687 1.00 0.00 C ATOM 1524 CE LYS B 208 9.065 4.578 -1.344 1.00 0.00 C ATOM 1525 NZ LYS B 208 8.022 5.465 -0.786 1.00 0.00 N ATOM 0 H LYS B 208 11.169 5.563 0.242 1.00 0.00 H new ATOM 0 HA LYS B 208 13.159 3.613 0.166 1.00 0.00 H new ATOM 0 HB2 LYS B 208 12.189 1.702 -0.801 1.00 0.00 H new ATOM 0 HB3 LYS B 208 11.224 2.061 0.617 1.00 0.00 H new ATOM 0 HG2 LYS B 208 10.435 2.685 -2.250 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.859 1.325 -1.307 1.00 0.00 H new ATOM 0 HD2 LYS B 208 8.119 2.720 -0.854 1.00 0.00 H new ATOM 0 HD3 LYS B 208 9.192 3.329 0.391 1.00 0.00 H new ATOM 0 HE2 LYS B 208 10.041 5.046 -1.219 1.00 0.00 H new ATOM 0 HE3 LYS B 208 8.903 4.460 -2.415 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 8.110 6.412 -1.207 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 7.082 5.075 -1.003 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 8.139 5.533 0.245 1.00 0.00 H new ATOM 1539 N THR B 209 12.594 3.616 -2.657 1.00 0.00 N ATOM 1540 CA THR B 209 12.852 4.059 -4.036 1.00 0.00 C ATOM 1541 C THR B 209 14.078 4.963 -4.115 1.00 0.00 C ATOM 1542 O THR B 209 14.151 5.867 -4.946 1.00 0.00 O ATOM 1543 CB THR B 209 11.636 4.752 -4.718 1.00 0.00 C ATOM 1544 OG1 THR B 209 11.237 5.939 -4.021 1.00 0.00 O ATOM 1545 CG2 THR B 209 10.452 3.802 -4.812 1.00 0.00 C ATOM 0 H THR B 209 12.620 2.602 -2.550 1.00 0.00 H new ATOM 0 HA THR B 209 13.042 3.142 -4.593 1.00 0.00 H new ATOM 0 HB THR B 209 11.957 5.033 -5.721 1.00 0.00 H new ATOM 0 HG1 THR B 209 11.877 6.128 -3.303 1.00 0.00 H new ATOM 0 HG21 THR B 209 9.615 4.310 -5.292 1.00 0.00 H new ATOM 0 HG22 THR B 209 10.732 2.928 -5.400 1.00 0.00 H new ATOM 0 HG23 THR B 209 10.159 3.486 -3.811 1.00 0.00 H new ATOM 1553 N ILE B 210 15.048 4.703 -3.252 1.00 0.00 N ATOM 1554 CA ILE B 210 16.296 5.448 -3.263 1.00 0.00 C ATOM 1555 C ILE B 210 17.392 4.636 -3.932 1.00 0.00 C ATOM 1556 O ILE B 210 18.353 5.186 -4.469 1.00 0.00 O ATOM 1557 CB ILE B 210 16.745 5.841 -1.843 1.00 0.00 C ATOM 1558 CG1 ILE B 210 16.763 4.617 -0.922 1.00 0.00 C ATOM 1559 CG2 ILE B 210 15.830 6.920 -1.291 1.00 0.00 C ATOM 1560 CD1 ILE B 210 17.315 4.898 0.459 1.00 0.00 C ATOM 0 H ILE B 210 14.994 3.980 -2.534 1.00 0.00 H new ATOM 0 HA ILE B 210 16.118 6.363 -3.828 1.00 0.00 H new ATOM 0 HB ILE B 210 17.760 6.236 -1.892 1.00 0.00 H new ATOM 0 HG12 ILE B 210 15.748 4.232 -0.826 1.00 0.00 H new ATOM 0 HG13 ILE B 210 17.359 3.832 -1.388 1.00 0.00 H new ATOM 0 HG21 ILE B 210 16.154 7.193 -0.287 1.00 0.00 H new ATOM 0 HG22 ILE B 210 15.871 7.797 -1.936 1.00 0.00 H new ATOM 0 HG23 ILE B 210 14.807 6.545 -1.253 1.00 0.00 H new ATOM 0 HD11 ILE B 210 17.295 3.984 1.052 1.00 0.00 H new ATOM 0 HD12 ILE B 210 18.342 5.254 0.375 1.00 0.00 H new ATOM 0 HD13 ILE B 210 16.706 5.659 0.946 1.00 0.00 H new ATOM 1572 N GLN B 211 17.237 3.322 -3.907 1.00 0.00 N ATOM 1573 CA GLN B 211 18.201 2.433 -4.527 1.00 0.00 C ATOM 1574 C GLN B 211 17.811 2.162 -5.972 1.00 0.00 C ATOM 1575 O GLN B 211 17.203 1.140 -6.286 1.00 0.00 O ATOM 1576 CB GLN B 211 18.304 1.121 -3.745 1.00 0.00 C ATOM 1577 CG GLN B 211 18.755 1.301 -2.302 1.00 0.00 C ATOM 1578 CD GLN B 211 20.167 1.852 -2.178 1.00 0.00 C ATOM 1579 OE1 GLN B 211 20.649 2.598 -3.035 1.00 0.00 O ATOM 1580 NE2 GLN B 211 20.842 1.492 -1.102 1.00 0.00 N ATOM 0 H GLN B 211 16.450 2.849 -3.463 1.00 0.00 H new ATOM 0 HA GLN B 211 19.178 2.916 -4.514 1.00 0.00 H new ATOM 0 HB2 GLN B 211 17.333 0.626 -3.754 1.00 0.00 H new ATOM 0 HB3 GLN B 211 19.004 0.459 -4.255 1.00 0.00 H new ATOM 0 HG2 GLN B 211 18.064 1.973 -1.794 1.00 0.00 H new ATOM 0 HG3 GLN B 211 18.701 0.341 -1.789 1.00 0.00 H new ATOM 0 HE21 GLN B 211 20.413 0.874 -0.414 1.00 0.00 H new ATOM 0 HE22 GLN B 211 21.793 1.832 -0.959 1.00 0.00 H new ATOM 1589 N ASN B 212 18.140 3.102 -6.842 1.00 0.00 N ATOM 1590 CA ASN B 212 17.835 2.973 -8.258 1.00 0.00 C ATOM 1591 C ASN B 212 19.126 2.805 -9.038 1.00 0.00 C ATOM 1592 O ASN B 212 19.829 3.812 -9.243 1.00 0.00 O ATOM 1593 CB ASN B 212 17.069 4.197 -8.776 1.00 0.00 C ATOM 1594 CG ASN B 212 15.838 4.516 -7.952 1.00 0.00 C ATOM 1595 OD1 ASN B 212 14.758 3.964 -8.176 1.00 0.00 O ATOM 1596 ND2 ASN B 212 15.983 5.427 -7.006 1.00 0.00 N ATOM 1597 OXT ASN B 212 19.450 1.660 -9.417 1.00 0.00 O ATOM 0 H ASN B 212 18.620 3.966 -6.592 1.00 0.00 H new ATOM 0 HA ASN B 212 17.201 2.097 -8.396 1.00 0.00 H new ATOM 0 HB2 ASN B 212 17.733 5.061 -8.777 1.00 0.00 H new ATOM 0 HB3 ASN B 212 16.772 4.022 -9.810 1.00 0.00 H new ATOM 0 HD21 ASN B 212 15.185 5.696 -6.431 1.00 0.00 H new ATOM 0 HD22 ASN B 212 16.893 5.861 -6.851 1.00 0.00 H new TER 1604 ASN B 212