USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 574 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 17 GLN : amide:sc= -0.0287 K(o=-0.029,f=-0.6) USER MOD Set 1.2: A 21 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 1 LYS NZ :NH3+ -112:sc= 0.177 (180deg=0) USER MOD Set 2.2: A 6 SER OG : rot 180:sc= 0.173 USER MOD Single : A 2 ASN : amide:sc= -1.62! C(o=-1.6!,f=-10!) USER MOD Single : A 8 MET CE :methyl -148:sc= -0.142 (180deg=-0.633) USER MOD Single : A -4 LYS NZ :NH3+ 166:sc= -0.0568 (180deg=-0.273) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl -166:sc= -0.0406 (180deg=-0.346) USER MOD Single : A -7 MET N :NH3+ -170:sc= -0.077 (180deg=-0.156) USER MOD Single : A 10 SER OG : rot 37:sc= 0.165 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0317 USER MOD Single : A 19 ASN : amide:sc= -1.18 K(o=-1.2,f=0) USER MOD Single : A 20 SER OG : rot 72:sc= 1.31 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 49 MET CE :methyl -140:sc= -0.0787 (180deg=-0.7) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -63:sc= 0.128 USER MOD Single : A 62 LYS NZ :NH3+ -161:sc= 0.82 (180deg=0.576) USER MOD Single : A 63 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -46.757 34.420 -17.321 1.00 20.00 N ATOM 2 CA MET A -7 -46.641 33.542 -18.508 1.00 20.00 C ATOM 3 C MET A -7 -46.072 32.179 -18.120 1.00 20.00 C ATOM 4 O MET A -7 -46.264 31.193 -18.830 1.00 20.00 O ATOM 5 CB MET A -7 -45.742 34.193 -19.568 1.00 20.00 C ATOM 6 CG MET A -7 -45.663 33.411 -20.871 1.00 20.00 C ATOM 7 SD MET A -7 -44.457 34.095 -22.029 1.00 20.00 S ATOM 8 CE MET A -7 -45.161 35.711 -22.346 1.00 20.00 C ATOM 0 H1 MET A -7 -47.298 35.272 -17.571 1.00 20.00 H new ATOM 0 H2 MET A -7 -47.247 33.910 -16.559 1.00 20.00 H new ATOM 0 H3 MET A -7 -45.807 34.695 -16.999 1.00 20.00 H new ATOM 0 HA MET A -7 -47.639 33.401 -18.922 1.00 20.00 H new ATOM 0 HB2 MET A -7 -46.113 35.196 -19.779 1.00 20.00 H new ATOM 0 HB3 MET A -7 -44.737 34.304 -19.160 1.00 20.00 H new ATOM 0 HG2 MET A -7 -45.402 32.375 -20.652 1.00 20.00 H new ATOM 0 HG3 MET A -7 -46.646 33.400 -21.342 1.00 20.00 H new ATOM 0 HE1 MET A -7 -44.678 36.154 -23.217 1.00 20.00 H new ATOM 0 HE2 MET A -7 -46.230 35.612 -22.535 1.00 20.00 H new ATOM 0 HE3 MET A -7 -45.004 36.353 -21.479 1.00 20.00 H new ATOM 20 N ASP A -6 -45.375 32.118 -16.993 1.00 20.00 N ATOM 21 CA ASP A -6 -44.762 30.874 -16.552 1.00 20.00 C ATOM 22 C ASP A -6 -44.804 30.748 -15.036 1.00 20.00 C ATOM 23 O ASP A -6 -44.054 31.418 -14.327 1.00 20.00 O ATOM 24 CB ASP A -6 -43.315 30.793 -17.045 1.00 20.00 C ATOM 25 CG ASP A -6 -42.588 29.573 -16.520 1.00 20.00 C ATOM 26 OD1 ASP A -6 -42.950 28.443 -16.907 1.00 20.00 O ATOM 27 OD2 ASP A -6 -41.636 29.738 -15.728 1.00 20.00 O ATOM 0 H ASP A -6 -45.221 32.912 -16.371 1.00 20.00 H new ATOM 0 HA ASP A -6 -45.332 30.048 -16.978 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -43.307 30.775 -18.135 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -42.779 31.691 -16.737 1.00 20.00 H new ATOM 32 N TYR A -5 -45.696 29.904 -14.544 1.00 20.00 N ATOM 33 CA TYR A -5 -45.798 29.641 -13.114 1.00 20.00 C ATOM 34 C TYR A -5 -45.277 28.242 -12.816 1.00 20.00 C ATOM 35 O TYR A -5 -45.595 27.289 -13.528 1.00 20.00 O ATOM 36 CB TYR A -5 -47.254 29.792 -12.639 1.00 20.00 C ATOM 37 CG TYR A -5 -47.481 29.389 -11.193 1.00 20.00 C ATOM 38 CD1 TYR A -5 -46.834 30.043 -10.148 1.00 20.00 C ATOM 39 CD2 TYR A -5 -48.350 28.351 -10.875 1.00 20.00 C ATOM 40 CE1 TYR A -5 -47.044 29.670 -8.832 1.00 20.00 C ATOM 41 CE2 TYR A -5 -48.564 27.974 -9.562 1.00 20.00 C ATOM 42 CZ TYR A -5 -47.910 28.635 -8.545 1.00 20.00 C ATOM 43 OH TYR A -5 -48.124 28.259 -7.236 1.00 20.00 O ATOM 0 H TYR A -5 -46.364 29.386 -15.115 1.00 20.00 H new ATOM 0 HA TYR A -5 -45.192 30.368 -12.573 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -47.561 30.830 -12.768 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -47.898 29.188 -13.278 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -46.157 30.855 -10.368 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -48.867 27.830 -11.667 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -46.532 30.187 -8.033 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -49.241 27.164 -9.334 1.00 20.00 H new ATOM 0 HH TYR A -5 -48.762 27.516 -7.209 1.00 20.00 H new ATOM 53 N LYS A -4 -44.459 28.123 -11.779 1.00 20.00 N ATOM 54 CA LYS A -4 -43.889 26.839 -11.404 1.00 20.00 C ATOM 55 C LYS A -4 -44.910 26.040 -10.602 1.00 20.00 C ATOM 56 O LYS A -4 -44.886 26.027 -9.371 1.00 20.00 O ATOM 57 CB LYS A -4 -42.602 27.046 -10.590 1.00 20.00 C ATOM 58 CG LYS A -4 -41.598 25.896 -10.685 1.00 20.00 C ATOM 59 CD LYS A -4 -42.101 24.629 -10.007 1.00 20.00 C ATOM 60 CE LYS A -4 -41.070 23.509 -10.070 1.00 20.00 C ATOM 61 NZ LYS A -4 -39.807 23.873 -9.373 1.00 20.00 N ATOM 0 H LYS A -4 -44.176 28.901 -11.183 1.00 20.00 H new ATOM 0 HA LYS A -4 -43.636 26.281 -12.306 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -42.118 27.963 -10.927 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -42.869 27.193 -9.543 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -41.389 25.685 -11.734 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -40.657 26.200 -10.228 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -42.341 24.844 -8.966 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -43.024 24.302 -10.486 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -41.486 22.608 -9.619 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -40.854 23.274 -11.112 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -39.230 23.019 -9.231 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -39.277 24.557 -9.950 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -40.030 24.298 -8.450 1.00 20.00 H new ATOM 75 N ASP A -3 -45.826 25.401 -11.308 1.00 20.00 N ATOM 76 CA ASP A -3 -46.821 24.557 -10.672 1.00 20.00 C ATOM 77 C ASP A -3 -46.370 23.099 -10.714 1.00 20.00 C ATOM 78 O ASP A -3 -46.231 22.510 -11.787 1.00 20.00 O ATOM 79 CB ASP A -3 -48.193 24.726 -11.346 1.00 20.00 C ATOM 80 CG ASP A -3 -48.229 24.235 -12.782 1.00 20.00 C ATOM 81 OD1 ASP A -3 -47.620 24.885 -13.657 1.00 20.00 O ATOM 82 OD2 ASP A -3 -48.874 23.195 -13.045 1.00 20.00 O ATOM 0 H ASP A -3 -45.901 25.451 -12.324 1.00 20.00 H new ATOM 0 HA ASP A -3 -46.923 24.861 -9.630 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -48.942 24.186 -10.767 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -48.472 25.779 -11.324 1.00 20.00 H new ATOM 87 N ASP A -2 -46.092 22.531 -9.553 1.00 20.00 N ATOM 88 CA ASP A -2 -45.651 21.144 -9.483 1.00 20.00 C ATOM 89 C ASP A -2 -46.444 20.383 -8.432 1.00 20.00 C ATOM 90 O ASP A -2 -47.176 19.445 -8.748 1.00 20.00 O ATOM 91 CB ASP A -2 -44.152 21.066 -9.185 1.00 20.00 C ATOM 92 CG ASP A -2 -43.611 19.656 -9.305 1.00 20.00 C ATOM 93 OD1 ASP A -2 -43.494 19.154 -10.443 1.00 20.00 O ATOM 94 OD2 ASP A -2 -43.290 19.044 -8.266 1.00 20.00 O ATOM 0 H ASP A -2 -46.162 23.002 -8.651 1.00 20.00 H new ATOM 0 HA ASP A -2 -45.831 20.680 -10.453 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -43.613 21.718 -9.872 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -43.965 21.439 -8.178 1.00 20.00 H new ATOM 99 N ASP A -1 -46.323 20.813 -7.181 1.00 20.00 N ATOM 100 CA ASP A -1 -47.017 20.158 -6.074 1.00 20.00 C ATOM 101 C ASP A -1 -48.449 20.668 -5.944 1.00 20.00 C ATOM 102 O ASP A -1 -48.847 21.181 -4.898 1.00 20.00 O ATOM 103 CB ASP A -1 -46.275 20.374 -4.749 1.00 20.00 C ATOM 104 CG ASP A -1 -44.961 19.626 -4.675 1.00 20.00 C ATOM 105 OD1 ASP A -1 -44.959 18.394 -4.875 1.00 20.00 O ATOM 106 OD2 ASP A -1 -43.921 20.264 -4.402 1.00 20.00 O ATOM 0 H ASP A -1 -45.751 21.612 -6.906 1.00 20.00 H new ATOM 0 HA ASP A -1 -47.040 19.091 -6.295 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -46.088 21.439 -4.614 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -46.914 20.056 -3.925 1.00 20.00 H new ATOM 111 N ASP A 0 -49.223 20.519 -7.007 1.00 20.00 N ATOM 112 CA ASP A 0 -50.629 20.913 -6.989 1.00 20.00 C ATOM 113 C ASP A 0 -51.500 19.755 -6.546 1.00 20.00 C ATOM 114 O ASP A 0 -52.724 19.861 -6.492 1.00 20.00 O ATOM 115 CB ASP A 0 -51.079 21.417 -8.358 1.00 20.00 C ATOM 116 CG ASP A 0 -50.496 22.769 -8.687 1.00 20.00 C ATOM 117 OD1 ASP A 0 -49.366 22.819 -9.207 1.00 20.00 O ATOM 118 OD2 ASP A 0 -51.164 23.792 -8.420 1.00 20.00 O ATOM 0 H ASP A 0 -48.905 20.129 -7.894 1.00 20.00 H new ATOM 0 HA ASP A 0 -50.737 21.729 -6.274 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -50.782 20.699 -9.123 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -52.167 21.477 -8.382 1.00 20.00 H new ATOM 123 N LYS A 1 -50.852 18.642 -6.238 1.00 20.00 N ATOM 124 CA LYS A 1 -51.535 17.456 -5.736 1.00 20.00 C ATOM 125 C LYS A 1 -52.167 17.728 -4.370 1.00 20.00 C ATOM 126 O LYS A 1 -53.034 16.974 -3.920 1.00 20.00 O ATOM 127 CB LYS A 1 -50.542 16.291 -5.637 1.00 20.00 C ATOM 128 CG LYS A 1 -49.280 16.628 -4.849 1.00 20.00 C ATOM 129 CD LYS A 1 -48.292 15.472 -4.848 1.00 20.00 C ATOM 130 CE LYS A 1 -46.989 15.851 -4.157 1.00 20.00 C ATOM 131 NZ LYS A 1 -46.020 14.725 -4.136 1.00 20.00 N ATOM 0 H LYS A 1 -49.842 18.534 -6.328 1.00 20.00 H new ATOM 0 HA LYS A 1 -52.332 17.193 -6.432 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -51.037 15.441 -5.167 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -50.260 15.979 -6.643 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -48.807 17.511 -5.280 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -49.548 16.879 -3.823 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -48.736 14.613 -4.344 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -48.086 15.168 -5.874 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -46.542 16.704 -4.669 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -47.199 16.167 -3.135 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -45.892 14.395 -3.158 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -46.382 13.945 -4.720 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -45.106 15.046 -4.515 1.00 20.00 H new ATOM 145 N ASN A 2 -51.718 18.813 -3.730 1.00 20.00 N ATOM 146 CA ASN A 2 -52.191 19.233 -2.405 1.00 20.00 C ATOM 147 C ASN A 2 -51.727 18.260 -1.331 1.00 20.00 C ATOM 148 O ASN A 2 -50.889 18.604 -0.496 1.00 20.00 O ATOM 149 CB ASN A 2 -53.722 19.393 -2.370 1.00 20.00 C ATOM 150 CG ASN A 2 -54.239 19.950 -1.043 1.00 20.00 C ATOM 151 OD1 ASN A 2 -53.687 19.686 0.027 1.00 20.00 O ATOM 152 ND2 ASN A 2 -55.305 20.736 -1.104 1.00 20.00 N ATOM 0 H ASN A 2 -51.008 19.432 -4.121 1.00 20.00 H new ATOM 0 HA ASN A 2 -51.754 20.210 -2.198 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -54.030 20.055 -3.179 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -54.186 18.425 -2.556 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -55.690 21.140 -0.250 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -55.740 20.936 -2.005 1.00 20.00 H new ATOM 159 N ARG A 3 -52.254 17.048 -1.361 1.00 20.00 N ATOM 160 CA ARG A 3 -51.925 16.059 -0.351 1.00 20.00 C ATOM 161 C ARG A 3 -50.618 15.367 -0.711 1.00 20.00 C ATOM 162 O ARG A 3 -50.610 14.357 -1.418 1.00 20.00 O ATOM 163 CB ARG A 3 -53.047 15.023 -0.197 1.00 20.00 C ATOM 164 CG ARG A 3 -54.431 15.618 0.051 1.00 20.00 C ATOM 165 CD ARG A 3 -54.393 16.784 1.032 1.00 20.00 C ATOM 166 NE ARG A 3 -53.726 16.442 2.288 1.00 20.00 N ATOM 167 CZ ARG A 3 -52.913 17.270 2.946 1.00 20.00 C ATOM 168 NH1 ARG A 3 -52.681 18.493 2.476 1.00 20.00 N ATOM 169 NH2 ARG A 3 -52.340 16.876 4.079 1.00 20.00 N ATOM 0 H ARG A 3 -52.910 16.726 -2.073 1.00 20.00 H new ATOM 0 HA ARG A 3 -51.811 16.573 0.603 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -53.085 14.411 -1.098 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -52.798 14.358 0.630 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -54.853 15.956 -0.895 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -55.093 14.843 0.437 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -53.878 17.626 0.569 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -55.412 17.110 1.243 1.00 20.00 H new ATOM 0 HE ARG A 3 -53.892 15.517 2.684 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -53.125 18.800 1.611 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -52.059 19.124 2.981 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -52.522 15.941 4.444 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -51.718 17.508 4.583 1.00 20.00 H new ATOM 183 N ALA A 4 -49.515 15.931 -0.244 1.00 20.00 N ATOM 184 CA ALA A 4 -48.199 15.375 -0.509 1.00 20.00 C ATOM 185 C ALA A 4 -47.895 14.237 0.456 1.00 20.00 C ATOM 186 O ALA A 4 -47.105 14.387 1.387 1.00 20.00 O ATOM 187 CB ALA A 4 -47.136 16.458 -0.417 1.00 20.00 C ATOM 0 H ALA A 4 -49.507 16.778 0.324 1.00 20.00 H new ATOM 0 HA ALA A 4 -48.191 14.973 -1.522 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -46.156 16.024 -0.618 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -47.346 17.237 -1.150 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -47.143 16.890 0.584 1.00 20.00 H new ATOM 193 N LEU A 5 -48.526 13.096 0.226 1.00 20.00 N ATOM 194 CA LEU A 5 -48.332 11.926 1.069 1.00 20.00 C ATOM 195 C LEU A 5 -47.150 11.105 0.564 1.00 20.00 C ATOM 196 O LEU A 5 -47.166 9.876 0.602 1.00 20.00 O ATOM 197 CB LEU A 5 -49.601 11.068 1.087 1.00 20.00 C ATOM 198 CG LEU A 5 -50.883 11.793 1.513 1.00 20.00 C ATOM 199 CD1 LEU A 5 -52.080 10.865 1.393 1.00 20.00 C ATOM 200 CD2 LEU A 5 -50.763 12.323 2.934 1.00 20.00 C ATOM 0 H LEU A 5 -49.181 12.955 -0.543 1.00 20.00 H new ATOM 0 HA LEU A 5 -48.121 12.259 2.085 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -49.753 10.654 0.090 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -49.440 10.226 1.760 1.00 20.00 H new ATOM 0 HG LEU A 5 -51.030 12.643 0.846 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -52.983 11.394 1.699 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -52.184 10.538 0.359 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -51.933 9.997 2.035 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -51.686 12.833 3.211 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -50.587 11.493 3.618 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -49.930 13.024 2.992 1.00 20.00 H new ATOM 212 N SER A 6 -46.139 11.802 0.070 1.00 20.00 N ATOM 213 CA SER A 6 -44.936 11.166 -0.432 1.00 20.00 C ATOM 214 C SER A 6 -44.170 10.501 0.709 1.00 20.00 C ATOM 215 O SER A 6 -43.967 11.110 1.761 1.00 20.00 O ATOM 216 CB SER A 6 -44.059 12.200 -1.136 1.00 20.00 C ATOM 217 OG SER A 6 -44.766 12.805 -2.208 1.00 20.00 O ATOM 0 H SER A 6 -46.131 12.820 0.007 1.00 20.00 H new ATOM 0 HA SER A 6 -45.216 10.395 -1.150 1.00 20.00 H new ATOM 0 HB2 SER A 6 -43.744 12.963 -0.424 1.00 20.00 H new ATOM 0 HB3 SER A 6 -43.155 11.722 -1.513 1.00 20.00 H new ATOM 0 HG SER A 6 -44.191 13.466 -2.647 1.00 20.00 H new ATOM 223 N PRO A 7 -43.763 9.233 0.518 1.00 20.00 N ATOM 224 CA PRO A 7 -43.032 8.473 1.536 1.00 20.00 C ATOM 225 C PRO A 7 -41.751 9.174 1.968 1.00 20.00 C ATOM 226 O PRO A 7 -40.787 9.255 1.206 1.00 20.00 O ATOM 227 CB PRO A 7 -42.694 7.145 0.849 1.00 20.00 C ATOM 228 CG PRO A 7 -43.636 7.038 -0.301 1.00 20.00 C ATOM 229 CD PRO A 7 -43.996 8.441 -0.705 1.00 20.00 C ATOM 0 HA PRO A 7 -43.626 8.354 2.442 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -41.658 7.132 0.510 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -42.816 6.307 1.535 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -43.173 6.504 -1.131 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -44.527 6.477 -0.019 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -43.377 8.790 -1.531 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -45.033 8.509 -1.033 1.00 20.00 H new ATOM 237 N MET A 8 -41.749 9.691 3.184 1.00 20.00 N ATOM 238 CA MET A 8 -40.565 10.334 3.728 1.00 20.00 C ATOM 239 C MET A 8 -39.676 9.292 4.381 1.00 20.00 C ATOM 240 O MET A 8 -40.165 8.381 5.049 1.00 20.00 O ATOM 241 CB MET A 8 -40.941 11.418 4.740 1.00 20.00 C ATOM 242 CG MET A 8 -41.792 12.530 4.146 1.00 20.00 C ATOM 243 SD MET A 8 -42.109 13.874 5.309 1.00 20.00 S ATOM 244 CE MET A 8 -42.873 12.982 6.663 1.00 20.00 C ATOM 0 H MET A 8 -42.552 9.679 3.813 1.00 20.00 H new ATOM 0 HA MET A 8 -40.025 10.813 2.911 1.00 20.00 H new ATOM 0 HB2 MET A 8 -41.482 10.960 5.568 1.00 20.00 H new ATOM 0 HB3 MET A 8 -40.030 11.850 5.154 1.00 20.00 H new ATOM 0 HG2 MET A 8 -41.292 12.931 3.264 1.00 20.00 H new ATOM 0 HG3 MET A 8 -42.743 12.114 3.812 1.00 20.00 H new ATOM 0 HE1 MET A 8 -43.602 13.625 7.157 1.00 20.00 H new ATOM 0 HE2 MET A 8 -43.375 12.095 6.277 1.00 20.00 H new ATOM 0 HE3 MET A 8 -42.108 12.683 7.380 1.00 20.00 H new ATOM 254 N VAL A 9 -38.377 9.412 4.172 1.00 20.00 N ATOM 255 CA VAL A 9 -37.435 8.450 4.716 1.00 20.00 C ATOM 256 C VAL A 9 -36.904 8.924 6.062 1.00 20.00 C ATOM 257 O VAL A 9 -36.709 10.124 6.277 1.00 20.00 O ATOM 258 CB VAL A 9 -36.255 8.195 3.750 1.00 20.00 C ATOM 259 CG1 VAL A 9 -36.768 7.720 2.400 1.00 20.00 C ATOM 260 CG2 VAL A 9 -35.393 9.439 3.585 1.00 20.00 C ATOM 0 H VAL A 9 -37.951 10.164 3.631 1.00 20.00 H new ATOM 0 HA VAL A 9 -37.973 7.511 4.850 1.00 20.00 H new ATOM 0 HB VAL A 9 -35.631 7.413 4.184 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -35.925 7.545 1.732 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -37.327 6.793 2.529 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -37.420 8.481 1.970 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -34.573 9.225 2.900 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -35.999 10.251 3.183 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -34.989 9.733 4.554 1.00 20.00 H new ATOM 270 N SER A 10 -36.699 7.988 6.972 1.00 20.00 N ATOM 271 CA SER A 10 -36.135 8.310 8.266 1.00 20.00 C ATOM 272 C SER A 10 -34.634 8.037 8.267 1.00 20.00 C ATOM 273 O SER A 10 -34.205 6.887 8.138 1.00 20.00 O ATOM 274 CB SER A 10 -36.837 7.509 9.368 1.00 20.00 C ATOM 275 OG SER A 10 -36.895 6.128 9.049 1.00 20.00 O ATOM 0 H SER A 10 -36.915 7.000 6.837 1.00 20.00 H new ATOM 0 HA SER A 10 -36.291 9.370 8.466 1.00 20.00 H new ATOM 0 HB2 SER A 10 -36.307 7.644 10.311 1.00 20.00 H new ATOM 0 HB3 SER A 10 -37.847 7.893 9.512 1.00 20.00 H new ATOM 0 HG SER A 10 -36.070 5.863 8.591 1.00 20.00 H new ATOM 281 N GLU A 11 -33.852 9.111 8.383 1.00 20.00 N ATOM 282 CA GLU A 11 -32.391 9.032 8.424 1.00 20.00 C ATOM 283 C GLU A 11 -31.816 8.605 7.073 1.00 20.00 C ATOM 284 O GLU A 11 -32.434 8.833 6.030 1.00 20.00 O ATOM 285 CB GLU A 11 -31.937 8.091 9.547 1.00 20.00 C ATOM 286 CG GLU A 11 -32.353 8.566 10.927 1.00 20.00 C ATOM 287 CD GLU A 11 -31.931 9.995 11.194 1.00 20.00 C ATOM 288 OE1 GLU A 11 -30.793 10.205 11.663 1.00 20.00 O ATOM 289 OE2 GLU A 11 -32.731 10.916 10.925 1.00 20.00 O ATOM 0 H GLU A 11 -34.214 10.062 8.451 1.00 20.00 H new ATOM 0 HA GLU A 11 -32.004 10.028 8.637 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -32.351 7.098 9.371 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -30.852 7.994 9.515 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -33.435 8.485 11.026 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -31.914 7.913 11.681 1.00 20.00 H new ATOM 296 N PHE A 12 -30.618 8.034 7.094 1.00 20.00 N ATOM 297 CA PHE A 12 -29.918 7.638 5.876 1.00 20.00 C ATOM 298 C PHE A 12 -30.708 6.593 5.091 1.00 20.00 C ATOM 299 O PHE A 12 -31.385 5.744 5.672 1.00 20.00 O ATOM 300 CB PHE A 12 -28.537 7.081 6.227 1.00 20.00 C ATOM 301 CG PHE A 12 -27.660 8.057 6.961 1.00 20.00 C ATOM 302 CD1 PHE A 12 -26.913 8.997 6.268 1.00 20.00 C ATOM 303 CD2 PHE A 12 -27.578 8.031 8.347 1.00 20.00 C ATOM 304 CE1 PHE A 12 -26.102 9.891 6.941 1.00 20.00 C ATOM 305 CE2 PHE A 12 -26.770 8.924 9.023 1.00 20.00 C ATOM 306 CZ PHE A 12 -26.031 9.853 8.320 1.00 20.00 C ATOM 0 H PHE A 12 -30.105 7.832 7.952 1.00 20.00 H new ATOM 0 HA PHE A 12 -29.811 8.523 5.249 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -28.660 6.187 6.838 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -28.035 6.774 5.310 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -26.965 9.031 5.190 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -28.152 7.304 8.902 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -25.525 10.618 6.390 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -26.717 8.895 10.101 1.00 20.00 H new ATOM 0 HZ PHE A 12 -25.397 10.550 8.848 1.00 20.00 H new ATOM 316 N GLU A 13 -30.605 6.653 3.768 1.00 20.00 N ATOM 317 CA GLU A 13 -31.295 5.707 2.897 1.00 20.00 C ATOM 318 C GLU A 13 -30.385 4.539 2.534 1.00 20.00 C ATOM 319 O GLU A 13 -30.651 3.791 1.591 1.00 20.00 O ATOM 320 CB GLU A 13 -31.779 6.398 1.622 1.00 20.00 C ATOM 321 CG GLU A 13 -32.866 7.431 1.864 1.00 20.00 C ATOM 322 CD GLU A 13 -33.351 8.072 0.582 1.00 20.00 C ATOM 323 OE1 GLU A 13 -34.068 7.402 -0.188 1.00 20.00 O ATOM 324 OE2 GLU A 13 -33.012 9.247 0.331 1.00 20.00 O ATOM 0 H GLU A 13 -30.048 7.350 3.273 1.00 20.00 H new ATOM 0 HA GLU A 13 -32.158 5.324 3.442 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -30.931 6.882 1.137 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -32.154 5.644 0.930 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -33.707 6.957 2.370 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -32.486 8.204 2.532 1.00 20.00 H new ATOM 331 N THR A 14 -29.319 4.378 3.301 1.00 20.00 N ATOM 332 CA THR A 14 -28.358 3.310 3.073 1.00 20.00 C ATOM 333 C THR A 14 -28.822 2.003 3.710 1.00 20.00 C ATOM 334 O THR A 14 -28.091 1.016 3.730 1.00 20.00 O ATOM 335 CB THR A 14 -26.975 3.697 3.629 1.00 20.00 C ATOM 336 OG1 THR A 14 -27.122 4.249 4.946 1.00 20.00 O ATOM 337 CG2 THR A 14 -26.287 4.707 2.723 1.00 20.00 C ATOM 0 H THR A 14 -29.096 4.979 4.094 1.00 20.00 H new ATOM 0 HA THR A 14 -28.281 3.161 1.996 1.00 20.00 H new ATOM 0 HB THR A 14 -26.358 2.800 3.673 1.00 20.00 H new ATOM 0 HG1 THR A 14 -26.241 4.493 5.299 1.00 20.00 H new ATOM 0 HG21 THR A 14 -25.312 4.964 3.138 1.00 20.00 H new ATOM 0 HG22 THR A 14 -26.156 4.276 1.730 1.00 20.00 H new ATOM 0 HG23 THR A 14 -26.899 5.606 2.650 1.00 20.00 H new ATOM 345 N ILE A 15 -30.052 2.010 4.215 1.00 20.00 N ATOM 346 CA ILE A 15 -30.646 0.841 4.847 1.00 20.00 C ATOM 347 C ILE A 15 -30.663 -0.342 3.881 1.00 20.00 C ATOM 348 O ILE A 15 -30.358 -1.475 4.257 1.00 20.00 O ATOM 349 CB ILE A 15 -32.083 1.146 5.308 1.00 20.00 C ATOM 350 CG1 ILE A 15 -32.107 2.410 6.171 1.00 20.00 C ATOM 351 CG2 ILE A 15 -32.656 -0.032 6.075 1.00 20.00 C ATOM 352 CD1 ILE A 15 -33.498 2.856 6.559 1.00 20.00 C ATOM 0 H ILE A 15 -30.663 2.827 4.197 1.00 20.00 H new ATOM 0 HA ILE A 15 -30.039 0.584 5.715 1.00 20.00 H new ATOM 0 HB ILE A 15 -32.702 1.316 4.427 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -31.527 2.232 7.076 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -31.614 3.218 5.630 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -33.672 0.201 6.393 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -32.670 -0.912 5.433 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -32.038 -0.231 6.951 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -33.434 3.757 7.169 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -34.077 3.067 5.660 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -33.988 2.066 7.128 1.00 20.00 H new ATOM 364 N GLU A 16 -31.003 -0.057 2.628 1.00 20.00 N ATOM 365 CA GLU A 16 -31.008 -1.072 1.581 1.00 20.00 C ATOM 366 C GLU A 16 -29.624 -1.688 1.431 1.00 20.00 C ATOM 367 O GLU A 16 -29.483 -2.903 1.289 1.00 20.00 O ATOM 368 CB GLU A 16 -31.445 -0.468 0.245 1.00 20.00 C ATOM 369 CG GLU A 16 -32.870 0.055 0.234 1.00 20.00 C ATOM 370 CD GLU A 16 -33.290 0.539 -1.135 1.00 20.00 C ATOM 371 OE1 GLU A 16 -33.076 1.731 -1.440 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.819 -0.275 -1.917 1.00 20.00 O ATOM 0 H GLU A 16 -31.280 0.873 2.312 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.717 -1.848 1.868 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -30.769 0.348 -0.010 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -31.341 -1.224 -0.534 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -33.547 -0.734 0.562 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -32.961 0.872 0.950 1.00 20.00 H new ATOM 379 N GLN A 17 -28.605 -0.839 1.477 1.00 20.00 N ATOM 380 CA GLN A 17 -27.224 -1.281 1.355 1.00 20.00 C ATOM 381 C GLN A 17 -26.857 -2.197 2.517 1.00 20.00 C ATOM 382 O GLN A 17 -26.228 -3.239 2.327 1.00 20.00 O ATOM 383 CB GLN A 17 -26.285 -0.074 1.323 1.00 20.00 C ATOM 384 CG GLN A 17 -24.821 -0.440 1.138 1.00 20.00 C ATOM 385 CD GLN A 17 -23.899 0.740 1.360 1.00 20.00 C ATOM 386 OE1 GLN A 17 -24.203 1.638 2.142 1.00 20.00 O ATOM 387 NE2 GLN A 17 -22.765 0.748 0.678 1.00 20.00 N ATOM 0 H GLN A 17 -28.712 0.168 1.599 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.117 -1.837 0.423 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.589 0.590 0.514 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.395 0.485 2.252 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -24.558 -1.238 1.832 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -24.671 -0.830 0.131 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -22.549 -0.017 0.038 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -22.107 1.519 0.792 1.00 20.00 H new ATOM 396 N GLU A 18 -27.275 -1.810 3.716 1.00 20.00 N ATOM 397 CA GLU A 18 -27.020 -2.604 4.911 1.00 20.00 C ATOM 398 C GLU A 18 -27.730 -3.951 4.818 1.00 20.00 C ATOM 399 O GLU A 18 -27.161 -4.988 5.159 1.00 20.00 O ATOM 400 CB GLU A 18 -27.478 -1.844 6.161 1.00 20.00 C ATOM 401 CG GLU A 18 -26.829 -0.476 6.316 1.00 20.00 C ATOM 402 CD GLU A 18 -27.275 0.241 7.571 1.00 20.00 C ATOM 403 OE1 GLU A 18 -28.325 0.914 7.539 1.00 20.00 O ATOM 404 OE2 GLU A 18 -26.579 0.131 8.605 1.00 20.00 O ATOM 0 H GLU A 18 -27.794 -0.948 3.886 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.948 -2.784 4.986 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -28.560 -1.721 6.125 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -27.255 -2.444 7.043 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -25.745 -0.592 6.334 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -27.070 0.137 5.447 1.00 20.00 H new ATOM 411 N ASN A 19 -28.965 -3.936 4.324 1.00 20.00 N ATOM 412 CA ASN A 19 -29.724 -5.172 4.131 1.00 20.00 C ATOM 413 C ASN A 19 -29.071 -6.039 3.064 1.00 20.00 C ATOM 414 O ASN A 19 -29.152 -7.267 3.108 1.00 20.00 O ATOM 415 CB ASN A 19 -31.180 -4.883 3.747 1.00 20.00 C ATOM 416 CG ASN A 19 -32.055 -4.526 4.936 1.00 20.00 C ATOM 417 OD1 ASN A 19 -33.252 -4.810 4.944 1.00 20.00 O ATOM 418 ND2 ASN A 19 -31.473 -3.899 5.946 1.00 20.00 N ATOM 0 H ASN A 19 -29.461 -3.088 4.051 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.722 -5.709 5.080 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.203 -4.064 3.029 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.597 -5.757 3.247 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.020 -3.635 6.766 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -30.478 -3.680 5.905 1.00 20.00 H new ATOM 425 N SER A 20 -28.414 -5.394 2.110 1.00 20.00 N ATOM 426 CA SER A 20 -27.693 -6.111 1.073 1.00 20.00 C ATOM 427 C SER A 20 -26.471 -6.803 1.672 1.00 20.00 C ATOM 428 O SER A 20 -26.184 -7.954 1.351 1.00 20.00 O ATOM 429 CB SER A 20 -27.286 -5.158 -0.058 1.00 20.00 C ATOM 430 OG SER A 20 -28.426 -4.515 -0.613 1.00 20.00 O ATOM 0 H SER A 20 -28.367 -4.378 2.034 1.00 20.00 H new ATOM 0 HA SER A 20 -28.348 -6.872 0.649 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.591 -4.410 0.323 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.762 -5.713 -0.836 1.00 20.00 H new ATOM 0 HG SER A 20 -28.772 -3.855 0.024 1.00 20.00 H new ATOM 436 N TYR A 21 -25.775 -6.108 2.572 1.00 20.00 N ATOM 437 CA TYR A 21 -24.626 -6.688 3.263 1.00 20.00 C ATOM 438 C TYR A 21 -25.056 -7.893 4.086 1.00 20.00 C ATOM 439 O TYR A 21 -24.391 -8.930 4.076 1.00 20.00 O ATOM 440 CB TYR A 21 -23.943 -5.658 4.169 1.00 20.00 C ATOM 441 CG TYR A 21 -23.172 -4.587 3.428 1.00 20.00 C ATOM 442 CD1 TYR A 21 -22.351 -4.911 2.353 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.255 -3.254 3.808 1.00 20.00 C ATOM 444 CE1 TYR A 21 -21.639 -3.938 1.681 1.00 20.00 C ATOM 445 CE2 TYR A 21 -22.545 -2.275 3.140 1.00 20.00 C ATOM 446 CZ TYR A 21 -21.739 -2.623 2.078 1.00 20.00 C ATOM 447 OH TYR A 21 -21.026 -1.651 1.414 1.00 20.00 O ATOM 0 H TYR A 21 -25.987 -5.146 2.838 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.910 -7.006 2.506 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.700 -5.179 4.790 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -23.262 -6.179 4.842 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -22.269 -5.941 2.039 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.886 -2.978 4.640 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -21.006 -4.207 0.848 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -22.621 -1.243 3.448 1.00 20.00 H new ATOM 0 HH TYR A 21 -20.905 -1.916 0.478 1.00 20.00 H new ATOM 457 N ASN A 22 -26.182 -7.752 4.779 1.00 20.00 N ATOM 458 CA ASN A 22 -26.747 -8.847 5.564 1.00 20.00 C ATOM 459 C ASN A 22 -27.089 -10.025 4.663 1.00 20.00 C ATOM 460 O ASN A 22 -26.941 -11.183 5.052 1.00 20.00 O ATOM 461 CB ASN A 22 -28.010 -8.398 6.308 1.00 20.00 C ATOM 462 CG ASN A 22 -27.743 -7.330 7.350 1.00 20.00 C ATOM 463 OD1 ASN A 22 -26.663 -7.271 7.940 1.00 20.00 O ATOM 464 ND2 ASN A 22 -28.728 -6.479 7.586 1.00 20.00 N ATOM 0 H ASN A 22 -26.723 -6.888 4.813 1.00 20.00 H new ATOM 0 HA ASN A 22 -25.997 -9.151 6.294 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.733 -8.019 5.586 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.465 -9.262 6.792 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -28.608 -5.740 8.278 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -29.607 -6.562 7.076 1.00 20.00 H new ATOM 471 N GLU A 23 -27.537 -9.719 3.452 1.00 20.00 N ATOM 472 CA GLU A 23 -27.920 -10.744 2.496 1.00 20.00 C ATOM 473 C GLU A 23 -26.692 -11.524 2.036 1.00 20.00 C ATOM 474 O GLU A 23 -26.749 -12.740 1.851 1.00 20.00 O ATOM 475 CB GLU A 23 -28.635 -10.112 1.299 1.00 20.00 C ATOM 476 CG GLU A 23 -29.399 -11.108 0.442 1.00 20.00 C ATOM 477 CD GLU A 23 -30.484 -11.834 1.217 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.322 -11.159 1.851 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.513 -13.084 1.182 1.00 20.00 O ATOM 0 H GLU A 23 -27.643 -8.764 3.110 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.607 -11.437 2.982 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -29.328 -9.353 1.662 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.900 -9.601 0.677 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -29.849 -10.585 -0.402 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -28.702 -11.838 0.030 1.00 20.00 H new ATOM 486 N TRP A 24 -25.576 -10.823 1.868 1.00 20.00 N ATOM 487 CA TRP A 24 -24.325 -11.468 1.494 1.00 20.00 C ATOM 488 C TRP A 24 -23.770 -12.280 2.661 1.00 20.00 C ATOM 489 O TRP A 24 -23.149 -13.324 2.461 1.00 20.00 O ATOM 490 CB TRP A 24 -23.292 -10.443 1.024 1.00 20.00 C ATOM 491 CG TRP A 24 -23.710 -9.687 -0.200 1.00 20.00 C ATOM 492 CD1 TRP A 24 -23.731 -8.332 -0.356 1.00 20.00 C ATOM 493 CD2 TRP A 24 -24.174 -10.241 -1.438 1.00 20.00 C ATOM 494 NE1 TRP A 24 -24.175 -8.008 -1.612 1.00 20.00 N ATOM 495 CE2 TRP A 24 -24.455 -9.161 -2.296 1.00 20.00 C ATOM 496 CE3 TRP A 24 -24.379 -11.543 -1.908 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -24.928 -9.342 -3.590 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -24.850 -11.720 -3.194 1.00 20.00 C ATOM 499 CH2 TRP A 24 -25.119 -10.625 -4.022 1.00 20.00 C ATOM 0 H TRP A 24 -25.513 -9.812 1.985 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.534 -12.143 0.664 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.102 -9.735 1.831 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.351 -10.955 0.821 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -23.440 -7.618 0.400 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -24.280 -7.062 -1.978 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -24.173 -12.394 -1.276 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -25.137 -8.499 -4.232 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -25.013 -12.720 -3.567 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -25.485 -10.797 -5.023 1.00 20.00 H new ATOM 510 N LEU A 25 -23.997 -11.795 3.877 1.00 20.00 N ATOM 511 CA LEU A 25 -23.617 -12.534 5.074 1.00 20.00 C ATOM 512 C LEU A 25 -24.425 -13.825 5.152 1.00 20.00 C ATOM 513 O LEU A 25 -23.901 -14.890 5.483 1.00 20.00 O ATOM 514 CB LEU A 25 -23.849 -11.678 6.326 1.00 20.00 C ATOM 515 CG LEU A 25 -23.556 -12.368 7.663 1.00 20.00 C ATOM 516 CD1 LEU A 25 -22.114 -12.844 7.721 1.00 20.00 C ATOM 517 CD2 LEU A 25 -23.851 -11.425 8.821 1.00 20.00 C ATOM 0 H LEU A 25 -24.441 -10.895 4.059 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.556 -12.780 5.023 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.228 -10.785 6.254 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.887 -11.345 6.329 1.00 20.00 H new ATOM 0 HG LEU A 25 -24.206 -13.239 7.748 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -21.930 -13.330 8.679 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.932 -13.553 6.913 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -21.445 -11.991 7.613 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -23.638 -11.929 9.764 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -23.225 -10.537 8.735 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -24.901 -11.133 8.794 1.00 20.00 H new ATOM 529 N ARG A 26 -25.704 -13.711 4.819 1.00 20.00 N ATOM 530 CA ARG A 26 -26.602 -14.854 4.756 1.00 20.00 C ATOM 531 C ARG A 26 -26.118 -15.854 3.712 1.00 20.00 C ATOM 532 O ARG A 26 -26.132 -17.063 3.936 1.00 20.00 O ATOM 533 CB ARG A 26 -28.014 -14.372 4.413 1.00 20.00 C ATOM 534 CG ARG A 26 -29.058 -15.472 4.327 1.00 20.00 C ATOM 535 CD ARG A 26 -30.398 -14.902 3.892 1.00 20.00 C ATOM 536 NE ARG A 26 -31.438 -15.921 3.807 1.00 20.00 N ATOM 537 CZ ARG A 26 -32.541 -15.786 3.076 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.709 -14.709 2.315 1.00 20.00 N ATOM 539 NH2 ARG A 26 -33.465 -16.737 3.086 1.00 20.00 N ATOM 0 H ARG A 26 -26.147 -12.823 4.585 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.616 -15.352 5.726 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.329 -13.649 5.166 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.982 -13.845 3.459 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.734 -16.235 3.619 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -29.161 -15.960 5.296 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.707 -14.130 4.597 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.286 -14.420 2.921 1.00 20.00 H new ATOM 0 HE ARG A 26 -31.313 -16.784 4.337 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -31.991 -13.985 2.291 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -33.555 -14.607 1.755 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -33.330 -17.573 3.655 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -34.310 -16.633 2.525 1.00 20.00 H new ATOM 553 N ALA A 27 -25.668 -15.334 2.579 1.00 20.00 N ATOM 554 CA ALA A 27 -25.170 -16.169 1.498 1.00 20.00 C ATOM 555 C ALA A 27 -23.890 -16.884 1.911 1.00 20.00 C ATOM 556 O ALA A 27 -23.651 -18.023 1.520 1.00 20.00 O ATOM 557 CB ALA A 27 -24.930 -15.334 0.254 1.00 20.00 C ATOM 0 H ALA A 27 -25.638 -14.333 2.385 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.925 -16.923 1.274 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.557 -15.973 -0.547 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.865 -14.869 -0.058 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.195 -14.559 0.472 1.00 20.00 H new ATOM 563 N LYS A 28 -23.076 -16.210 2.708 1.00 20.00 N ATOM 564 CA LYS A 28 -21.827 -16.786 3.192 1.00 20.00 C ATOM 565 C LYS A 28 -22.099 -17.920 4.179 1.00 20.00 C ATOM 566 O LYS A 28 -21.596 -19.029 4.010 1.00 20.00 O ATOM 567 CB LYS A 28 -20.953 -15.703 3.849 1.00 20.00 C ATOM 568 CG LYS A 28 -19.773 -16.237 4.666 1.00 20.00 C ATOM 569 CD LYS A 28 -18.766 -17.019 3.825 1.00 20.00 C ATOM 570 CE LYS A 28 -18.212 -16.194 2.671 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.203 -16.954 1.888 1.00 20.00 N ATOM 0 H LYS A 28 -23.257 -15.261 3.035 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.289 -17.197 2.338 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.569 -15.044 3.070 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.581 -15.095 4.500 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.264 -15.402 5.147 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -20.151 -16.880 5.461 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -17.944 -17.349 4.460 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.244 -17.916 3.431 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -19.028 -15.891 2.016 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -17.759 -15.282 3.060 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -16.848 -16.361 1.111 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -16.412 -17.222 2.508 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.642 -17.812 1.496 1.00 20.00 H new ATOM 585 N VAL A 29 -22.915 -17.644 5.192 1.00 20.00 N ATOM 586 CA VAL A 29 -23.175 -18.619 6.246 1.00 20.00 C ATOM 587 C VAL A 29 -23.939 -19.832 5.711 1.00 20.00 C ATOM 588 O VAL A 29 -23.856 -20.926 6.269 1.00 20.00 O ATOM 589 CB VAL A 29 -23.945 -17.984 7.434 1.00 20.00 C ATOM 590 CG1 VAL A 29 -25.364 -17.603 7.043 1.00 20.00 C ATOM 591 CG2 VAL A 29 -23.947 -18.917 8.635 1.00 20.00 C ATOM 0 H VAL A 29 -23.406 -16.757 5.305 1.00 20.00 H new ATOM 0 HA VAL A 29 -22.205 -18.957 6.610 1.00 20.00 H new ATOM 0 HB VAL A 29 -23.425 -17.067 7.711 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -25.872 -17.162 7.901 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.335 -16.881 6.227 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -25.904 -18.493 6.720 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -24.492 -18.452 9.456 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -24.430 -19.856 8.365 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -22.921 -19.112 8.946 1.00 20.00 H new ATOM 601 N ALA A 30 -24.660 -19.646 4.614 1.00 20.00 N ATOM 602 CA ALA A 30 -25.441 -20.728 4.032 1.00 20.00 C ATOM 603 C ALA A 30 -24.741 -21.337 2.820 1.00 20.00 C ATOM 604 O ALA A 30 -25.292 -22.208 2.142 1.00 20.00 O ATOM 605 CB ALA A 30 -26.831 -20.237 3.658 1.00 20.00 C ATOM 0 H ALA A 30 -24.720 -18.760 4.111 1.00 20.00 H new ATOM 0 HA ALA A 30 -25.536 -21.511 4.784 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -27.402 -21.058 3.224 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -27.340 -19.872 4.550 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -26.748 -19.429 2.931 1.00 20.00 H new ATOM 611 N THR A 31 -23.519 -20.863 2.560 1.00 20.00 N ATOM 612 CA THR A 31 -22.702 -21.348 1.450 1.00 20.00 C ATOM 613 C THR A 31 -23.470 -21.261 0.125 1.00 20.00 C ATOM 614 O THR A 31 -23.460 -22.185 -0.687 1.00 20.00 O ATOM 615 CB THR A 31 -22.241 -22.799 1.711 1.00 20.00 C ATOM 616 OG1 THR A 31 -21.842 -22.932 3.083 1.00 20.00 O ATOM 617 CG2 THR A 31 -21.072 -23.176 0.816 1.00 20.00 C ATOM 0 H THR A 31 -23.071 -20.133 3.114 1.00 20.00 H new ATOM 0 HA THR A 31 -21.821 -20.711 1.375 1.00 20.00 H new ATOM 0 HB THR A 31 -23.075 -23.466 1.490 1.00 20.00 H new ATOM 0 HG1 THR A 31 -21.551 -23.852 3.251 1.00 20.00 H new ATOM 0 HG21 THR A 31 -20.771 -24.203 1.024 1.00 20.00 H new ATOM 0 HG22 THR A 31 -21.371 -23.090 -0.229 1.00 20.00 H new ATOM 0 HG23 THR A 31 -20.234 -22.506 1.010 1.00 20.00 H new ATOM 625 N SER A 32 -24.136 -20.136 -0.085 1.00 20.00 N ATOM 626 CA SER A 32 -24.981 -19.958 -1.257 1.00 20.00 C ATOM 627 C SER A 32 -24.457 -18.834 -2.149 1.00 20.00 C ATOM 628 O SER A 32 -25.232 -18.052 -2.703 1.00 20.00 O ATOM 629 CB SER A 32 -26.417 -19.664 -0.819 1.00 20.00 C ATOM 630 OG SER A 32 -26.856 -20.607 0.150 1.00 20.00 O ATOM 0 H SER A 32 -24.108 -19.331 0.541 1.00 20.00 H new ATOM 0 HA SER A 32 -24.964 -20.880 -1.838 1.00 20.00 H new ATOM 0 HB2 SER A 32 -26.476 -18.657 -0.405 1.00 20.00 H new ATOM 0 HB3 SER A 32 -27.078 -19.692 -1.685 1.00 20.00 H new ATOM 0 HG SER A 32 -27.776 -20.398 0.416 1.00 20.00 H new ATOM 636 N LEU A 33 -23.141 -18.751 -2.276 1.00 20.00 N ATOM 637 CA LEU A 33 -22.526 -17.779 -3.171 1.00 20.00 C ATOM 638 C LEU A 33 -22.588 -18.301 -4.600 1.00 20.00 C ATOM 639 O LEU A 33 -22.465 -19.509 -4.821 1.00 20.00 O ATOM 640 CB LEU A 33 -21.069 -17.516 -2.766 1.00 20.00 C ATOM 641 CG LEU A 33 -20.867 -16.990 -1.339 1.00 20.00 C ATOM 642 CD1 LEU A 33 -19.385 -16.863 -1.029 1.00 20.00 C ATOM 643 CD2 LEU A 33 -21.558 -15.647 -1.149 1.00 20.00 C ATOM 0 H LEU A 33 -22.479 -19.342 -1.773 1.00 20.00 H new ATOM 0 HA LEU A 33 -23.072 -16.838 -3.103 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -20.506 -18.443 -2.876 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -20.640 -16.797 -3.464 1.00 20.00 H new ATOM 0 HG LEU A 33 -21.314 -17.705 -0.649 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -19.256 -16.489 -0.013 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -18.910 -17.840 -1.119 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -18.924 -16.169 -1.732 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -21.399 -15.297 -0.129 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -21.144 -14.922 -1.850 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -22.627 -15.759 -1.332 1.00 20.00 H new ATOM 655 N ALA A 34 -22.786 -17.395 -5.559 1.00 20.00 N ATOM 656 CA ALA A 34 -22.964 -17.773 -6.959 1.00 20.00 C ATOM 657 C ALA A 34 -24.111 -18.768 -7.091 1.00 20.00 C ATOM 658 O ALA A 34 -23.943 -19.879 -7.599 1.00 20.00 O ATOM 659 CB ALA A 34 -21.675 -18.344 -7.536 1.00 20.00 C ATOM 0 H ALA A 34 -22.827 -16.390 -5.389 1.00 20.00 H new ATOM 0 HA ALA A 34 -23.214 -16.880 -7.531 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -21.833 -18.618 -8.579 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -20.885 -17.595 -7.473 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -21.383 -19.228 -6.969 1.00 20.00 H new ATOM 665 N ASP A 35 -25.277 -18.353 -6.617 1.00 20.00 N ATOM 666 CA ASP A 35 -26.453 -19.214 -6.565 1.00 20.00 C ATOM 667 C ASP A 35 -26.889 -19.650 -7.964 1.00 20.00 C ATOM 668 O ASP A 35 -26.910 -18.850 -8.902 1.00 20.00 O ATOM 669 CB ASP A 35 -27.601 -18.498 -5.844 1.00 20.00 C ATOM 670 CG ASP A 35 -28.065 -17.243 -6.558 1.00 20.00 C ATOM 671 OD1 ASP A 35 -27.255 -16.303 -6.716 1.00 20.00 O ATOM 672 OD2 ASP A 35 -29.246 -17.189 -6.959 1.00 20.00 O ATOM 0 H ASP A 35 -25.436 -17.412 -6.258 1.00 20.00 H new ATOM 0 HA ASP A 35 -26.188 -20.112 -6.006 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -28.442 -19.184 -5.744 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -27.281 -18.237 -4.835 1.00 20.00 H new ATOM 677 N PRO A 36 -27.216 -20.940 -8.119 1.00 20.00 N ATOM 678 CA PRO A 36 -27.647 -21.502 -9.398 1.00 20.00 C ATOM 679 C PRO A 36 -29.092 -21.139 -9.732 1.00 20.00 C ATOM 680 O PRO A 36 -29.928 -20.989 -8.833 1.00 20.00 O ATOM 681 CB PRO A 36 -27.509 -23.009 -9.179 1.00 20.00 C ATOM 682 CG PRO A 36 -27.719 -23.198 -7.718 1.00 20.00 C ATOM 683 CD PRO A 36 -27.179 -21.959 -7.052 1.00 20.00 C ATOM 0 HA PRO A 36 -27.060 -21.122 -10.234 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -28.246 -23.563 -9.760 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -26.526 -23.366 -9.487 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -28.777 -23.333 -7.491 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -27.201 -24.089 -7.362 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -27.789 -21.666 -6.198 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -26.166 -22.114 -6.682 1.00 20.00 H new ATOM 691 N ARG A 37 -29.367 -21.003 -11.029 1.00 20.00 N ATOM 692 CA ARG A 37 -30.696 -20.643 -11.525 1.00 20.00 C ATOM 693 C ARG A 37 -31.219 -19.385 -10.833 1.00 20.00 C ATOM 694 O ARG A 37 -32.202 -19.439 -10.092 1.00 20.00 O ATOM 695 CB ARG A 37 -31.680 -21.803 -11.333 1.00 20.00 C ATOM 696 CG ARG A 37 -31.329 -23.047 -12.136 1.00 20.00 C ATOM 697 CD ARG A 37 -31.383 -22.782 -13.634 1.00 20.00 C ATOM 698 NE ARG A 37 -32.720 -22.384 -14.074 1.00 20.00 N ATOM 699 CZ ARG A 37 -32.986 -21.844 -15.263 1.00 20.00 C ATOM 700 NH1 ARG A 37 -32.009 -21.621 -16.136 1.00 20.00 N ATOM 701 NH2 ARG A 37 -34.235 -21.521 -15.573 1.00 20.00 N ATOM 0 H ARG A 37 -28.675 -21.139 -11.766 1.00 20.00 H new ATOM 0 HA ARG A 37 -30.608 -20.435 -12.591 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -31.718 -22.064 -10.275 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -32.679 -21.470 -11.615 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -30.330 -23.388 -11.862 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -32.020 -23.851 -11.883 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -30.670 -21.998 -13.889 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -31.077 -23.679 -14.172 1.00 20.00 H new ATOM 0 HE ARG A 37 -33.498 -22.529 -13.430 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -31.047 -21.864 -15.898 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -32.221 -21.207 -17.044 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -34.986 -21.686 -14.903 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -34.444 -21.107 -16.482 1.00 20.00 H new ATOM 715 N PRO A 38 -30.565 -18.232 -11.065 1.00 20.00 N ATOM 716 CA PRO A 38 -30.948 -16.968 -10.431 1.00 20.00 C ATOM 717 C PRO A 38 -32.337 -16.506 -10.860 1.00 20.00 C ATOM 718 O PRO A 38 -33.056 -15.891 -10.068 1.00 20.00 O ATOM 719 CB PRO A 38 -29.881 -15.978 -10.913 1.00 20.00 C ATOM 720 CG PRO A 38 -29.329 -16.580 -12.157 1.00 20.00 C ATOM 721 CD PRO A 38 -29.404 -18.067 -11.962 1.00 20.00 C ATOM 0 HA PRO A 38 -30.997 -17.059 -9.346 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -30.313 -14.996 -11.108 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -29.103 -15.840 -10.162 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -29.905 -16.271 -13.029 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -28.301 -16.259 -12.323 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -29.548 -18.590 -12.907 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -28.491 -18.461 -11.515 1.00 20.00 H new ATOM 729 N ALA A 39 -32.705 -16.827 -12.103 1.00 20.00 N ATOM 730 CA ALA A 39 -34.015 -16.475 -12.652 1.00 20.00 C ATOM 731 C ALA A 39 -34.337 -15.005 -12.413 1.00 20.00 C ATOM 732 O ALA A 39 -35.201 -14.661 -11.596 1.00 20.00 O ATOM 733 CB ALA A 39 -35.098 -17.369 -12.068 1.00 20.00 C ATOM 0 H ALA A 39 -32.106 -17.336 -12.753 1.00 20.00 H new ATOM 0 HA ALA A 39 -33.982 -16.635 -13.730 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -36.065 -17.092 -12.488 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -34.881 -18.409 -12.311 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -35.125 -17.248 -10.985 1.00 20.00 H new ATOM 739 N ILE A 40 -33.627 -14.149 -13.127 1.00 20.00 N ATOM 740 CA ILE A 40 -33.779 -12.712 -12.984 1.00 20.00 C ATOM 741 C ILE A 40 -34.758 -12.182 -14.027 1.00 20.00 C ATOM 742 O ILE A 40 -34.457 -12.182 -15.223 1.00 20.00 O ATOM 743 CB ILE A 40 -32.425 -11.987 -13.140 1.00 20.00 C ATOM 744 CG1 ILE A 40 -31.346 -12.668 -12.290 1.00 20.00 C ATOM 745 CG2 ILE A 40 -32.566 -10.527 -12.741 1.00 20.00 C ATOM 746 CD1 ILE A 40 -29.973 -12.049 -12.437 1.00 20.00 C ATOM 0 H ILE A 40 -32.932 -14.429 -13.819 1.00 20.00 H new ATOM 0 HA ILE A 40 -34.164 -12.516 -11.983 1.00 20.00 H new ATOM 0 HB ILE A 40 -32.122 -12.040 -14.186 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -31.643 -12.627 -11.242 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -31.291 -13.721 -12.565 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -31.605 -10.024 -12.855 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -33.306 -10.045 -13.380 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -32.888 -10.463 -11.702 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -29.263 -12.584 -11.806 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -29.654 -12.114 -13.477 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -30.011 -11.003 -12.134 1.00 20.00 H new ATOM 758 N PRO A 41 -35.955 -11.758 -13.590 1.00 20.00 N ATOM 759 CA PRO A 41 -36.977 -11.203 -14.483 1.00 20.00 C ATOM 760 C PRO A 41 -36.503 -9.940 -15.197 1.00 20.00 C ATOM 761 O PRO A 41 -35.575 -9.276 -14.728 1.00 20.00 O ATOM 762 CB PRO A 41 -38.152 -10.866 -13.558 1.00 20.00 C ATOM 763 CG PRO A 41 -37.893 -11.602 -12.288 1.00 20.00 C ATOM 764 CD PRO A 41 -36.405 -11.796 -12.192 1.00 20.00 C ATOM 0 HA PRO A 41 -37.232 -11.911 -15.271 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -38.215 -9.792 -13.382 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -39.099 -11.173 -14.002 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -38.265 -11.039 -11.432 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -38.409 -12.562 -12.286 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -35.937 -11.010 -11.600 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -36.155 -12.745 -11.717 1.00 20.00 H new ATOM 772 N HIS A 42 -37.141 -9.600 -16.309 1.00 20.00 N ATOM 773 CA HIS A 42 -36.719 -8.458 -17.115 1.00 20.00 C ATOM 774 C HIS A 42 -36.688 -7.179 -16.278 1.00 20.00 C ATOM 775 O HIS A 42 -35.726 -6.411 -16.348 1.00 20.00 O ATOM 776 CB HIS A 42 -37.638 -8.285 -18.332 1.00 20.00 C ATOM 777 CG HIS A 42 -37.164 -7.245 -19.301 1.00 20.00 C ATOM 778 ND1 HIS A 42 -37.958 -6.209 -19.743 1.00 20.00 N ATOM 779 CD2 HIS A 42 -35.972 -7.095 -19.925 1.00 20.00 C ATOM 780 CE1 HIS A 42 -37.276 -5.469 -20.596 1.00 20.00 C ATOM 781 NE2 HIS A 42 -36.069 -5.983 -20.723 1.00 20.00 N ATOM 0 H HIS A 42 -37.953 -10.097 -16.675 1.00 20.00 H new ATOM 0 HA HIS A 42 -35.708 -8.653 -17.472 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -37.723 -9.240 -18.850 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -38.637 -8.019 -17.987 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -35.106 -7.732 -19.815 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -37.645 -4.590 -21.104 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -35.327 -5.614 -21.318 1.00 20.00 H new ATOM 790 N ASP A 43 -37.722 -6.978 -15.462 1.00 20.00 N ATOM 791 CA ASP A 43 -37.818 -5.784 -14.622 1.00 20.00 C ATOM 792 C ASP A 43 -36.667 -5.724 -13.629 1.00 20.00 C ATOM 793 O ASP A 43 -36.096 -4.659 -13.391 1.00 20.00 O ATOM 794 CB ASP A 43 -39.152 -5.736 -13.867 1.00 20.00 C ATOM 795 CG ASP A 43 -40.336 -5.517 -14.782 1.00 20.00 C ATOM 796 OD1 ASP A 43 -40.550 -4.366 -15.224 1.00 20.00 O ATOM 797 OD2 ASP A 43 -41.057 -6.494 -15.069 1.00 20.00 O ATOM 0 H ASP A 43 -38.504 -7.625 -15.364 1.00 20.00 H new ATOM 0 HA ASP A 43 -37.763 -4.920 -15.284 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -39.289 -6.669 -13.321 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -39.117 -4.936 -13.128 1.00 20.00 H new ATOM 802 N GLU A 44 -36.322 -6.874 -13.063 1.00 20.00 N ATOM 803 CA GLU A 44 -35.193 -6.962 -12.148 1.00 20.00 C ATOM 804 C GLU A 44 -33.906 -6.606 -12.874 1.00 20.00 C ATOM 805 O GLU A 44 -33.088 -5.848 -12.363 1.00 20.00 O ATOM 806 CB GLU A 44 -35.080 -8.365 -11.546 1.00 20.00 C ATOM 807 CG GLU A 44 -36.098 -8.665 -10.458 1.00 20.00 C ATOM 808 CD GLU A 44 -35.897 -7.814 -9.223 1.00 20.00 C ATOM 809 OE1 GLU A 44 -34.831 -7.927 -8.581 1.00 20.00 O ATOM 810 OE2 GLU A 44 -36.809 -7.032 -8.883 1.00 20.00 O ATOM 0 H GLU A 44 -36.808 -7.757 -13.222 1.00 20.00 H new ATOM 0 HA GLU A 44 -35.358 -6.254 -11.336 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -35.192 -9.099 -12.344 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -34.079 -8.491 -11.134 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -37.102 -8.500 -10.849 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -36.032 -9.718 -10.184 1.00 20.00 H new ATOM 817 N VAL A 45 -33.748 -7.140 -14.080 1.00 20.00 N ATOM 818 CA VAL A 45 -32.565 -6.873 -14.888 1.00 20.00 C ATOM 819 C VAL A 45 -32.392 -5.375 -15.117 1.00 20.00 C ATOM 820 O VAL A 45 -31.324 -4.827 -14.866 1.00 20.00 O ATOM 821 CB VAL A 45 -32.628 -7.591 -16.254 1.00 20.00 C ATOM 822 CG1 VAL A 45 -31.417 -7.242 -17.105 1.00 20.00 C ATOM 823 CG2 VAL A 45 -32.726 -9.094 -16.068 1.00 20.00 C ATOM 0 H VAL A 45 -34.426 -7.762 -14.520 1.00 20.00 H new ATOM 0 HA VAL A 45 -31.710 -7.259 -14.333 1.00 20.00 H new ATOM 0 HB VAL A 45 -33.523 -7.248 -16.772 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -31.484 -7.759 -18.062 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -31.390 -6.166 -17.275 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -30.508 -7.550 -16.588 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -32.769 -9.579 -17.043 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -31.852 -9.451 -15.523 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -33.627 -9.333 -15.504 1.00 20.00 H new ATOM 833 N GLU A 46 -33.455 -4.722 -15.570 1.00 20.00 N ATOM 834 CA GLU A 46 -33.406 -3.293 -15.886 1.00 20.00 C ATOM 835 C GLU A 46 -33.040 -2.461 -14.658 1.00 20.00 C ATOM 836 O GLU A 46 -32.179 -1.580 -14.728 1.00 20.00 O ATOM 837 CB GLU A 46 -34.747 -2.817 -16.447 1.00 20.00 C ATOM 838 CG GLU A 46 -35.235 -3.634 -17.628 1.00 20.00 C ATOM 839 CD GLU A 46 -36.538 -3.116 -18.184 1.00 20.00 C ATOM 840 OE1 GLU A 46 -37.604 -3.502 -17.669 1.00 20.00 O ATOM 841 OE2 GLU A 46 -36.500 -2.315 -19.140 1.00 20.00 O ATOM 0 H GLU A 46 -34.364 -5.156 -15.728 1.00 20.00 H new ATOM 0 HA GLU A 46 -32.631 -3.154 -16.640 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -35.496 -2.854 -15.656 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -34.655 -1.774 -16.750 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -34.478 -3.623 -18.412 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -35.361 -4.672 -17.321 1.00 20.00 H new ATOM 848 N ARG A 47 -33.686 -2.754 -13.538 1.00 20.00 N ATOM 849 CA ARG A 47 -33.467 -2.006 -12.307 1.00 20.00 C ATOM 850 C ARG A 47 -32.079 -2.276 -11.736 1.00 20.00 C ATOM 851 O ARG A 47 -31.370 -1.353 -11.334 1.00 20.00 O ATOM 852 CB ARG A 47 -34.534 -2.364 -11.269 1.00 20.00 C ATOM 853 CG ARG A 47 -35.937 -1.906 -11.642 1.00 20.00 C ATOM 854 CD ARG A 47 -36.024 -0.389 -11.724 1.00 20.00 C ATOM 855 NE ARG A 47 -35.661 0.246 -10.460 1.00 20.00 N ATOM 856 CZ ARG A 47 -35.228 1.501 -10.350 1.00 20.00 C ATOM 857 NH1 ARG A 47 -35.084 2.258 -11.430 1.00 20.00 N ATOM 858 NH2 ARG A 47 -34.929 1.995 -9.154 1.00 20.00 N ATOM 0 H ARG A 47 -34.369 -3.507 -13.456 1.00 20.00 H new ATOM 0 HA ARG A 47 -33.539 -0.945 -12.545 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -34.541 -3.445 -11.128 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -34.260 -1.919 -10.312 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -36.220 -2.340 -12.601 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -36.649 -2.273 -10.903 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -35.364 -0.030 -12.514 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -37.038 -0.098 -11.999 1.00 20.00 H new ATOM 0 HE ARG A 47 -35.744 -0.307 -9.607 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -35.305 1.880 -12.351 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -34.752 3.218 -11.339 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -35.031 1.414 -8.322 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -34.597 2.956 -9.067 1.00 20.00 H new ATOM 872 N ARG A 48 -31.688 -3.541 -11.716 1.00 20.00 N ATOM 873 CA ARG A 48 -30.417 -3.933 -11.127 1.00 20.00 C ATOM 874 C ARG A 48 -29.247 -3.552 -12.029 1.00 20.00 C ATOM 875 O ARG A 48 -28.148 -3.306 -11.546 1.00 20.00 O ATOM 876 CB ARG A 48 -30.396 -5.435 -10.818 1.00 20.00 C ATOM 877 CG ARG A 48 -31.092 -5.821 -9.513 1.00 20.00 C ATOM 878 CD ARG A 48 -32.511 -5.272 -9.427 1.00 20.00 C ATOM 879 NE ARG A 48 -33.222 -5.724 -8.230 1.00 20.00 N ATOM 880 CZ ARG A 48 -33.449 -4.962 -7.160 1.00 20.00 C ATOM 881 NH1 ARG A 48 -32.932 -3.745 -7.085 1.00 20.00 N ATOM 882 NH2 ARG A 48 -34.179 -5.425 -6.156 1.00 20.00 N ATOM 0 H ARG A 48 -32.232 -4.313 -12.101 1.00 20.00 H new ATOM 0 HA ARG A 48 -30.307 -3.390 -10.189 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -30.871 -5.969 -11.641 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -29.360 -5.770 -10.776 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -31.120 -6.907 -9.427 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -30.510 -5.449 -8.670 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -32.475 -4.183 -9.433 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -33.068 -5.578 -10.312 1.00 20.00 H new ATOM 0 HE ARG A 48 -33.566 -6.684 -8.214 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -32.357 -3.387 -7.848 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -33.108 -3.166 -6.264 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -34.569 -6.367 -6.201 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -34.351 -4.840 -5.338 1.00 20.00 H new ATOM 896 N MET A 49 -29.487 -3.496 -13.337 1.00 20.00 N ATOM 897 CA MET A 49 -28.453 -3.086 -14.286 1.00 20.00 C ATOM 898 C MET A 49 -28.077 -1.630 -14.057 1.00 20.00 C ATOM 899 O MET A 49 -26.910 -1.248 -14.156 1.00 20.00 O ATOM 900 CB MET A 49 -28.935 -3.260 -15.728 1.00 20.00 C ATOM 901 CG MET A 49 -27.883 -2.903 -16.768 1.00 20.00 C ATOM 902 SD MET A 49 -28.534 -2.881 -18.452 1.00 20.00 S ATOM 903 CE MET A 49 -29.114 -4.567 -18.611 1.00 20.00 C ATOM 0 H MET A 49 -30.384 -3.728 -13.763 1.00 20.00 H new ATOM 0 HA MET A 49 -27.581 -3.720 -14.125 1.00 20.00 H new ATOM 0 HB2 MET A 49 -29.245 -4.294 -15.877 1.00 20.00 H new ATOM 0 HB3 MET A 49 -29.816 -2.638 -15.886 1.00 20.00 H new ATOM 0 HG2 MET A 49 -27.465 -1.924 -16.533 1.00 20.00 H new ATOM 0 HG3 MET A 49 -27.065 -3.621 -16.710 1.00 20.00 H new ATOM 0 HE1 MET A 49 -28.880 -4.940 -19.608 1.00 20.00 H new ATOM 0 HE2 MET A 49 -28.623 -5.193 -17.866 1.00 20.00 H new ATOM 0 HE3 MET A 49 -30.192 -4.597 -18.456 1.00 20.00 H new ATOM 913 N ALA A 50 -29.082 -0.826 -13.745 1.00 20.00 N ATOM 914 CA ALA A 50 -28.888 0.597 -13.546 1.00 20.00 C ATOM 915 C ALA A 50 -28.191 0.879 -12.226 1.00 20.00 C ATOM 916 O ALA A 50 -27.181 1.579 -12.183 1.00 20.00 O ATOM 917 CB ALA A 50 -30.224 1.318 -13.609 1.00 20.00 C ATOM 0 H ALA A 50 -30.045 -1.140 -13.624 1.00 20.00 H new ATOM 0 HA ALA A 50 -28.246 0.969 -14.345 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -30.068 2.386 -13.458 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -30.681 1.152 -14.584 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -30.882 0.934 -12.829 1.00 20.00 H new ATOM 923 N GLU A 51 -28.724 0.326 -11.151 1.00 20.00 N ATOM 924 CA GLU A 51 -28.219 0.626 -9.821 1.00 20.00 C ATOM 925 C GLU A 51 -27.121 -0.351 -9.389 1.00 20.00 C ATOM 926 O GLU A 51 -25.960 0.040 -9.242 1.00 20.00 O ATOM 927 CB GLU A 51 -29.370 0.626 -8.812 1.00 20.00 C ATOM 928 CG GLU A 51 -30.512 1.561 -9.186 1.00 20.00 C ATOM 929 CD GLU A 51 -30.074 3.003 -9.337 1.00 20.00 C ATOM 930 OE1 GLU A 51 -29.686 3.404 -10.455 1.00 20.00 O ATOM 931 OE2 GLU A 51 -30.126 3.751 -8.341 1.00 20.00 O ATOM 0 H GLU A 51 -29.504 -0.331 -11.171 1.00 20.00 H new ATOM 0 HA GLU A 51 -27.769 1.618 -9.852 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -29.759 -0.388 -8.717 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -28.984 0.912 -7.834 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -30.959 1.223 -10.121 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -31.288 1.501 -8.422 1.00 20.00 H new ATOM 938 N ARG A 52 -27.486 -1.618 -9.208 1.00 20.00 N ATOM 939 CA ARG A 52 -26.578 -2.611 -8.635 1.00 20.00 C ATOM 940 C ARG A 52 -25.361 -2.875 -9.523 1.00 20.00 C ATOM 941 O ARG A 52 -24.230 -2.622 -9.112 1.00 20.00 O ATOM 942 CB ARG A 52 -27.320 -3.928 -8.369 1.00 20.00 C ATOM 943 CG ARG A 52 -26.406 -5.062 -7.920 1.00 20.00 C ATOM 944 CD ARG A 52 -27.171 -6.363 -7.727 1.00 20.00 C ATOM 945 NE ARG A 52 -26.274 -7.486 -7.455 1.00 20.00 N ATOM 946 CZ ARG A 52 -26.680 -8.746 -7.298 1.00 20.00 C ATOM 947 NH1 ARG A 52 -27.974 -9.040 -7.327 1.00 20.00 N ATOM 948 NH2 ARG A 52 -25.789 -9.708 -7.097 1.00 20.00 N ATOM 0 H ARG A 52 -28.407 -1.983 -9.450 1.00 20.00 H new ATOM 0 HA ARG A 52 -26.215 -2.197 -7.694 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -28.079 -3.760 -7.605 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -27.842 -4.231 -9.276 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -25.620 -5.209 -8.660 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -25.917 -4.786 -6.986 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -27.875 -6.252 -6.902 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -27.758 -6.575 -8.620 1.00 20.00 H new ATOM 0 HE ARG A 52 -25.275 -7.293 -7.381 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -28.662 -8.301 -7.470 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -28.280 -10.005 -7.206 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -24.795 -9.483 -7.063 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -26.098 -10.673 -6.977 1.00 20.00 H new ATOM 962 N PHE A 53 -25.597 -3.369 -10.736 1.00 20.00 N ATOM 963 CA PHE A 53 -24.517 -3.818 -11.612 1.00 20.00 C ATOM 964 C PHE A 53 -23.540 -2.698 -11.942 1.00 20.00 C ATOM 965 O PHE A 53 -22.339 -2.934 -12.058 1.00 20.00 O ATOM 966 CB PHE A 53 -25.077 -4.419 -12.901 1.00 20.00 C ATOM 967 CG PHE A 53 -25.597 -5.822 -12.735 1.00 20.00 C ATOM 968 CD1 PHE A 53 -24.724 -6.900 -12.691 1.00 20.00 C ATOM 969 CD2 PHE A 53 -26.957 -6.066 -12.620 1.00 20.00 C ATOM 970 CE1 PHE A 53 -25.197 -8.189 -12.536 1.00 20.00 C ATOM 971 CE2 PHE A 53 -27.435 -7.354 -12.464 1.00 20.00 C ATOM 972 CZ PHE A 53 -26.555 -8.417 -12.423 1.00 20.00 C ATOM 0 H PHE A 53 -26.530 -3.469 -11.136 1.00 20.00 H new ATOM 0 HA PHE A 53 -23.969 -4.586 -11.067 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -25.882 -3.783 -13.269 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -24.297 -4.417 -13.662 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -23.661 -6.729 -12.779 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -27.652 -5.240 -12.653 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -24.505 -9.018 -12.503 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -28.497 -7.529 -12.374 1.00 20.00 H new ATOM 0 HZ PHE A 53 -26.927 -9.424 -12.303 1.00 20.00 H new ATOM 982 N ALA A 54 -24.053 -1.483 -12.078 1.00 20.00 N ATOM 983 CA ALA A 54 -23.213 -0.335 -12.387 1.00 20.00 C ATOM 984 C ALA A 54 -22.152 -0.128 -11.310 1.00 20.00 C ATOM 985 O ALA A 54 -20.967 0.019 -11.611 1.00 20.00 O ATOM 986 CB ALA A 54 -24.062 0.913 -12.546 1.00 20.00 C ATOM 0 H ALA A 54 -25.045 -1.267 -11.979 1.00 20.00 H new ATOM 0 HA ALA A 54 -22.702 -0.531 -13.329 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -23.420 1.763 -12.777 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -24.776 0.767 -13.357 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -24.601 1.107 -11.619 1.00 20.00 H new ATOM 992 N LYS A 55 -22.577 -0.141 -10.054 1.00 20.00 N ATOM 993 CA LYS A 55 -21.654 0.037 -8.941 1.00 20.00 C ATOM 994 C LYS A 55 -20.867 -1.248 -8.693 1.00 20.00 C ATOM 995 O LYS A 55 -19.712 -1.210 -8.271 1.00 20.00 O ATOM 996 CB LYS A 55 -22.410 0.469 -7.680 1.00 20.00 C ATOM 997 CG LYS A 55 -21.513 0.675 -6.465 1.00 20.00 C ATOM 998 CD LYS A 55 -22.255 1.348 -5.328 1.00 20.00 C ATOM 999 CE LYS A 55 -21.371 1.502 -4.101 1.00 20.00 C ATOM 1000 NZ LYS A 55 -22.043 2.269 -3.022 1.00 20.00 N ATOM 0 H LYS A 55 -23.551 -0.272 -9.781 1.00 20.00 H new ATOM 0 HA LYS A 55 -20.947 0.826 -9.197 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -22.944 1.397 -7.887 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -23.161 -0.284 -7.442 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -21.129 -0.288 -6.129 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -20.652 1.281 -6.747 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -22.606 2.328 -5.651 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -23.138 0.762 -5.071 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -21.096 0.516 -3.727 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -20.446 2.006 -4.382 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -21.405 2.350 -2.205 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -22.283 3.219 -3.369 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -22.912 1.775 -2.735 1.00 20.00 H new ATOM 1014 N MET A 56 -21.501 -2.381 -8.978 1.00 20.00 N ATOM 1015 CA MET A 56 -20.870 -3.693 -8.840 1.00 20.00 C ATOM 1016 C MET A 56 -19.646 -3.809 -9.747 1.00 20.00 C ATOM 1017 O MET A 56 -18.629 -4.388 -9.359 1.00 20.00 O ATOM 1018 CB MET A 56 -21.879 -4.800 -9.176 1.00 20.00 C ATOM 1019 CG MET A 56 -21.276 -6.194 -9.261 1.00 20.00 C ATOM 1020 SD MET A 56 -22.482 -7.436 -9.772 1.00 20.00 S ATOM 1021 CE MET A 56 -21.429 -8.874 -9.941 1.00 20.00 C ATOM 0 H MET A 56 -22.465 -2.418 -9.311 1.00 20.00 H new ATOM 0 HA MET A 56 -20.542 -3.807 -7.807 1.00 20.00 H new ATOM 0 HB2 MET A 56 -22.663 -4.802 -8.419 1.00 20.00 H new ATOM 0 HB3 MET A 56 -22.355 -4.564 -10.128 1.00 20.00 H new ATOM 0 HG2 MET A 56 -20.446 -6.185 -9.967 1.00 20.00 H new ATOM 0 HG3 MET A 56 -20.865 -6.469 -8.290 1.00 20.00 H new ATOM 0 HE1 MET A 56 -22.028 -9.729 -10.253 1.00 20.00 H new ATOM 0 HE2 MET A 56 -20.661 -8.677 -10.689 1.00 20.00 H new ATOM 0 HE3 MET A 56 -20.955 -9.093 -8.984 1.00 20.00 H new ATOM 1031 N ARG A 57 -19.752 -3.261 -10.953 1.00 20.00 N ATOM 1032 CA ARG A 57 -18.634 -3.253 -11.889 1.00 20.00 C ATOM 1033 C ARG A 57 -17.567 -2.267 -11.432 1.00 20.00 C ATOM 1034 O ARG A 57 -16.377 -2.582 -11.463 1.00 20.00 O ATOM 1035 CB ARG A 57 -19.106 -2.892 -13.300 1.00 20.00 C ATOM 1036 CG ARG A 57 -20.015 -3.937 -13.924 1.00 20.00 C ATOM 1037 CD ARG A 57 -20.409 -3.555 -15.343 1.00 20.00 C ATOM 1038 NE ARG A 57 -19.252 -3.491 -16.238 1.00 20.00 N ATOM 1039 CZ ARG A 57 -19.222 -2.790 -17.376 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -20.254 -2.030 -17.722 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -18.147 -2.832 -18.152 1.00 20.00 N ATOM 0 H ARG A 57 -20.600 -2.817 -11.305 1.00 20.00 H new ATOM 0 HA ARG A 57 -18.206 -4.255 -11.912 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -19.633 -1.939 -13.265 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -18.235 -2.751 -13.940 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -19.509 -4.903 -13.933 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -20.911 -4.052 -13.315 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -21.125 -4.281 -15.728 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -20.912 -2.588 -15.331 1.00 20.00 H new ATOM 0 HE ARG A 57 -18.416 -4.014 -15.977 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -21.075 -1.979 -17.119 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -20.226 -1.497 -18.591 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -17.344 -3.399 -17.880 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -18.124 -2.297 -19.020 1.00 20.00 H new ATOM 1055 N LYS A 58 -18.007 -1.083 -11.003 1.00 20.00 N ATOM 1056 CA LYS A 58 -17.111 -0.050 -10.477 1.00 20.00 C ATOM 1057 C LYS A 58 -16.100 0.403 -11.532 1.00 20.00 C ATOM 1058 O LYS A 58 -15.065 -0.242 -11.735 1.00 20.00 O ATOM 1059 CB LYS A 58 -16.381 -0.559 -9.231 1.00 20.00 C ATOM 1060 CG LYS A 58 -15.489 0.483 -8.577 1.00 20.00 C ATOM 1061 CD LYS A 58 -14.718 -0.107 -7.410 1.00 20.00 C ATOM 1062 CE LYS A 58 -13.817 0.926 -6.759 1.00 20.00 C ATOM 1063 NZ LYS A 58 -12.984 0.335 -5.679 1.00 20.00 N ATOM 0 H LYS A 58 -18.991 -0.813 -11.010 1.00 20.00 H new ATOM 0 HA LYS A 58 -17.722 0.811 -10.204 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -17.117 -0.902 -8.504 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -15.775 -1.423 -9.503 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -14.791 0.881 -9.313 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -16.096 1.319 -8.229 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -15.417 -0.498 -6.671 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -14.118 -0.948 -7.757 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -13.169 1.370 -7.515 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -14.426 1.731 -6.348 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -12.383 1.074 -5.260 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -13.601 -0.067 -4.945 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -12.384 -0.416 -6.075 1.00 20.00 H new ATOM 1077 N GLU A 59 -16.411 1.520 -12.190 1.00 20.00 N ATOM 1078 CA GLU A 59 -15.565 2.085 -13.242 1.00 20.00 C ATOM 1079 C GLU A 59 -15.618 1.225 -14.501 1.00 20.00 C ATOM 1080 O GLU A 59 -14.944 0.196 -14.602 1.00 20.00 O ATOM 1081 CB GLU A 59 -14.116 2.242 -12.765 1.00 20.00 C ATOM 1082 CG GLU A 59 -13.161 2.701 -13.854 1.00 20.00 C ATOM 1083 CD GLU A 59 -11.725 2.718 -13.390 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -11.121 1.631 -13.267 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -11.191 3.819 -13.146 1.00 20.00 O ATOM 0 H GLU A 59 -17.258 2.059 -12.009 1.00 20.00 H new ATOM 0 HA GLU A 59 -15.953 3.075 -13.481 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -14.089 2.959 -11.944 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -13.768 1.289 -12.367 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -13.254 2.041 -14.717 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -13.445 3.700 -14.185 1.00 20.00 H new ATOM 1092 N ARG A 60 -16.412 1.660 -15.467 1.00 20.00 N ATOM 1093 CA ARG A 60 -16.574 0.929 -16.716 1.00 20.00 C ATOM 1094 C ARG A 60 -15.454 1.274 -17.701 1.00 20.00 C ATOM 1095 O ARG A 60 -15.701 1.524 -18.879 1.00 20.00 O ATOM 1096 CB ARG A 60 -17.946 1.242 -17.328 1.00 20.00 C ATOM 1097 CG ARG A 60 -18.162 2.719 -17.620 1.00 20.00 C ATOM 1098 CD ARG A 60 -19.587 3.002 -18.063 1.00 20.00 C ATOM 1099 NE ARG A 60 -19.766 4.399 -18.458 1.00 20.00 N ATOM 1100 CZ ARG A 60 -20.846 5.124 -18.175 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -21.829 4.607 -17.443 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -20.940 6.373 -18.618 1.00 20.00 N ATOM 0 H ARG A 60 -16.957 2.520 -15.410 1.00 20.00 H new ATOM 0 HA ARG A 60 -16.515 -0.139 -16.504 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -18.059 0.677 -18.254 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -18.725 0.897 -16.648 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -17.936 3.303 -16.728 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -17.469 3.042 -18.397 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -19.843 2.352 -18.900 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -20.274 2.763 -17.251 1.00 20.00 H new ATOM 0 HE ARG A 60 -19.015 4.846 -18.984 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -21.757 3.651 -17.096 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -22.654 5.167 -17.229 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -20.185 6.775 -19.174 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -21.767 6.930 -18.402 1.00 20.00 H new ATOM 1116 N SER A 61 -14.222 1.284 -17.213 1.00 20.00 N ATOM 1117 CA SER A 61 -13.075 1.588 -18.052 1.00 20.00 C ATOM 1118 C SER A 61 -11.837 0.846 -17.556 1.00 20.00 C ATOM 1119 O SER A 61 -10.824 1.455 -17.212 1.00 20.00 O ATOM 1120 CB SER A 61 -12.816 3.099 -18.087 1.00 20.00 C ATOM 1121 OG SER A 61 -11.803 3.428 -19.030 1.00 20.00 O ATOM 0 H SER A 61 -13.992 1.085 -16.239 1.00 20.00 H new ATOM 0 HA SER A 61 -13.295 1.254 -19.066 1.00 20.00 H new ATOM 0 HB2 SER A 61 -13.737 3.622 -18.342 1.00 20.00 H new ATOM 0 HB3 SER A 61 -12.519 3.442 -17.096 1.00 20.00 H new ATOM 0 HG SER A 61 -10.957 3.015 -18.758 1.00 20.00 H new ATOM 1127 N LYS A 62 -11.935 -0.472 -17.500 1.00 20.00 N ATOM 1128 CA LYS A 62 -10.799 -1.308 -17.154 1.00 20.00 C ATOM 1129 C LYS A 62 -10.039 -1.685 -18.418 1.00 20.00 C ATOM 1130 O LYS A 62 -10.479 -2.543 -19.185 1.00 20.00 O ATOM 1131 CB LYS A 62 -11.260 -2.571 -16.421 1.00 20.00 C ATOM 1132 CG LYS A 62 -11.794 -2.314 -15.020 1.00 20.00 C ATOM 1133 CD LYS A 62 -10.693 -1.859 -14.074 1.00 20.00 C ATOM 1134 CE LYS A 62 -11.198 -1.729 -12.643 1.00 20.00 C ATOM 1135 NZ LYS A 62 -12.243 -0.680 -12.513 1.00 20.00 N ATOM 0 H LYS A 62 -12.794 -0.987 -17.691 1.00 20.00 H new ATOM 0 HA LYS A 62 -10.141 -0.748 -16.489 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -12.037 -3.058 -17.011 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -10.424 -3.267 -16.358 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -12.575 -1.555 -15.062 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -12.254 -3.223 -14.633 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -9.869 -2.571 -14.106 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -10.298 -0.900 -14.409 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -11.602 -2.686 -12.313 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -10.363 -1.492 -11.984 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -12.329 -0.397 -11.516 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -11.978 0.147 -13.086 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -13.154 -1.055 -12.846 1.00 20.00 H new ATOM 1149 N GLN A 63 -8.922 -1.019 -18.653 1.00 20.00 N ATOM 1150 CA GLN A 63 -8.118 -1.286 -19.833 1.00 20.00 C ATOM 1151 C GLN A 63 -6.942 -2.177 -19.461 1.00 20.00 C ATOM 1152 O GLN A 63 -5.917 -1.644 -18.985 1.00 20.00 O ATOM 1153 CB GLN A 63 -7.630 0.025 -20.457 1.00 20.00 C ATOM 1154 CG GLN A 63 -6.907 -0.152 -21.784 1.00 20.00 C ATOM 1155 CD GLN A 63 -7.806 -0.685 -22.881 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -7.928 -1.897 -23.071 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -8.439 0.215 -23.614 1.00 20.00 N ATOM 1158 OXT GLN A 63 -7.059 -3.409 -19.621 1.00 20.00 O ATOM 0 H GLN A 63 -8.551 -0.290 -18.043 1.00 20.00 H new ATOM 0 HA GLN A 63 -8.730 -1.803 -20.572 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -8.485 0.685 -20.606 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -6.962 0.523 -19.755 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -6.491 0.806 -22.096 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -6.068 -0.834 -21.646 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -8.311 1.209 -23.424 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -9.056 -0.085 -24.369 1.00 20.00 H new TER 1167 GLN A 63