USER MOD reduce.3.24.130724 H: found=0, std=0, add=356, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 355 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 22 SER OG : rot 180:sc= -0.181 USER MOD Set 1.2: A 26 LYS NZ :NH3+ -98:sc= -0.0964 (180deg=-1.59!) USER MOD Set 2.1: A 13 ASN : amide:sc= -2.52 K(o=-8.3,f=-4.8) USER MOD Set 2.2: A 14 MET CE :methyl -144:sc= -2.49 (180deg=-3.2!) USER MOD Set 2.3: A 17 GLN : amide:sc= -3.32 K(o=-8.3,f=-9.1!) USER MOD Single : A 1 GLY N :NH3+ 161:sc= -0.0407 (180deg=-0.192) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.852 K(o=-0.85,f=-5!) USER MOD Single : A 23 HIS : no HD1:sc= -4.44! C(o=-4.4!,f=-2.3!) USER MOD Single : A 25 SER OG : rot -87:sc= 1.24 USER MOD Single : A 27 THR OG1 : rot -130:sc= -0.268 USER MOD Single : A 28 MET CE :methyl 156:sc= -4.21! (180deg=-5.53!) USER MOD Single : A 29 ASN : amide:sc= -8.28! C(o=-8.3!,f=-13!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.959 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 1:sc= -0.474 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 160:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.0037) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.892 54.425 37.641 1.00 0.00 N ATOM 2 CA GLY A 1 -18.568 55.047 37.927 1.00 0.00 C ATOM 3 C GLY A 1 -18.435 56.350 37.137 1.00 0.00 C ATOM 4 O GLY A 1 -19.398 56.856 36.592 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.866 53.418 37.901 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.629 54.907 38.195 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.106 54.515 36.627 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.470 55.245 38.994 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.766 54.361 37.655 1.00 0.00 H new ATOM 10 N ARG A 2 -17.247 56.898 37.074 1.00 0.00 N ATOM 11 CA ARG A 2 -17.035 58.170 36.327 1.00 0.00 C ATOM 12 C ARG A 2 -17.442 58.001 34.855 1.00 0.00 C ATOM 13 O ARG A 2 -17.739 58.965 34.176 1.00 0.00 O ATOM 14 CB ARG A 2 -15.556 58.553 36.419 1.00 0.00 C ATOM 15 CG ARG A 2 -14.684 57.429 35.849 1.00 0.00 C ATOM 16 CD ARG A 2 -13.478 58.033 35.126 1.00 0.00 C ATOM 17 NE ARG A 2 -13.923 58.634 33.830 1.00 0.00 N ATOM 18 CZ ARG A 2 -13.148 59.457 33.152 1.00 0.00 C ATOM 19 NH1 ARG A 2 -11.951 59.786 33.581 1.00 0.00 N ATOM 20 NH2 ARG A 2 -13.581 59.957 32.026 1.00 0.00 N ATOM 0 H ARG A 2 -16.410 56.513 37.512 1.00 0.00 H new ATOM 0 HA ARG A 2 -17.651 58.956 36.764 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -15.377 59.477 35.869 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -15.285 58.742 37.458 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -14.348 56.772 36.652 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -15.266 56.818 35.159 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -13.010 58.794 35.750 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -12.727 57.264 34.944 1.00 0.00 H new ATOM 0 HE ARG A 2 -14.846 58.402 33.463 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.601 59.402 34.459 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -11.372 60.425 33.036 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -14.509 59.709 31.681 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.992 60.595 31.491 1.00 0.00 H new ATOM 34 N LYS A 3 -17.455 56.786 34.360 1.00 0.00 N ATOM 35 CA LYS A 3 -17.840 56.557 32.936 1.00 0.00 C ATOM 36 C LYS A 3 -19.352 56.738 32.780 1.00 0.00 C ATOM 37 O LYS A 3 -19.824 57.234 31.774 1.00 0.00 O ATOM 38 CB LYS A 3 -17.452 55.136 32.525 1.00 0.00 C ATOM 39 CG LYS A 3 -16.065 55.151 31.880 1.00 0.00 C ATOM 40 CD LYS A 3 -15.330 53.852 32.215 1.00 0.00 C ATOM 41 CE LYS A 3 -14.515 54.041 33.496 1.00 0.00 C ATOM 42 NZ LYS A 3 -13.189 54.632 33.158 1.00 0.00 N ATOM 0 H LYS A 3 -17.215 55.944 34.883 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.321 57.274 32.300 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -17.452 54.481 33.397 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -18.186 54.735 31.825 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -16.156 55.261 30.799 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -15.494 56.007 32.240 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -16.046 53.040 32.343 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -14.673 53.571 31.392 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -15.050 54.692 34.187 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -14.381 53.083 33.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -12.634 54.761 34.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -12.679 53.995 32.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -13.327 55.553 32.696 1.00 0.00 H new ATOM 56 N ARG A 4 -20.111 56.338 33.768 1.00 0.00 N ATOM 57 CA ARG A 4 -21.595 56.481 33.685 1.00 0.00 C ATOM 58 C ARG A 4 -21.959 57.966 33.601 1.00 0.00 C ATOM 59 O ARG A 4 -21.100 58.826 33.617 1.00 0.00 O ATOM 60 CB ARG A 4 -22.237 55.865 34.933 1.00 0.00 C ATOM 61 CG ARG A 4 -22.707 54.443 34.619 1.00 0.00 C ATOM 62 CD ARG A 4 -21.494 53.521 34.481 1.00 0.00 C ATOM 63 NE ARG A 4 -21.831 52.387 33.566 1.00 0.00 N ATOM 64 CZ ARG A 4 -20.894 51.612 33.055 1.00 0.00 C ATOM 65 NH1 ARG A 4 -19.623 51.801 33.326 1.00 0.00 N ATOM 66 NH2 ARG A 4 -21.238 50.636 32.261 1.00 0.00 N ATOM 0 H ARG A 4 -19.766 55.917 34.631 1.00 0.00 H new ATOM 0 HA ARG A 4 -21.962 55.967 32.797 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -21.519 55.849 35.753 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -23.080 56.474 35.259 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -23.362 54.082 35.412 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -23.288 54.436 33.697 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -20.643 54.078 34.089 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -21.201 53.139 35.459 1.00 0.00 H new ATOM 0 HE ARG A 4 -22.808 52.209 33.332 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -19.341 52.561 33.945 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -18.918 51.187 32.918 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -22.222 50.479 32.042 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -20.523 50.029 31.859 1.00 0.00 H new ATOM 80 N LYS A 5 -23.230 58.269 33.507 1.00 0.00 N ATOM 81 CA LYS A 5 -23.668 59.691 33.416 1.00 0.00 C ATOM 82 C LYS A 5 -23.196 60.467 34.652 1.00 0.00 C ATOM 83 O LYS A 5 -23.252 59.975 35.763 1.00 0.00 O ATOM 84 CB LYS A 5 -25.196 59.731 33.324 1.00 0.00 C ATOM 85 CG LYS A 5 -25.812 59.065 34.559 1.00 0.00 C ATOM 86 CD LYS A 5 -27.199 58.523 34.207 1.00 0.00 C ATOM 87 CE LYS A 5 -27.549 57.365 35.144 1.00 0.00 C ATOM 88 NZ LYS A 5 -27.173 56.075 34.500 1.00 0.00 N ATOM 0 H LYS A 5 -23.987 57.585 33.489 1.00 0.00 H new ATOM 0 HA LYS A 5 -23.233 60.154 32.530 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -25.537 60.763 33.249 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -25.528 59.219 32.421 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -25.171 58.255 34.907 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -25.887 59.785 35.374 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -27.943 59.314 34.296 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -27.216 58.184 33.171 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -27.022 57.478 36.092 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -28.616 57.374 35.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -27.410 55.287 35.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -27.695 55.968 33.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -26.151 56.068 34.307 1.00 0.00 H new ATOM 102 N ILE A 6 -22.732 61.676 34.461 1.00 0.00 N ATOM 103 CA ILE A 6 -22.253 62.494 35.615 1.00 0.00 C ATOM 104 C ILE A 6 -22.770 63.931 35.475 1.00 0.00 C ATOM 105 O ILE A 6 -23.549 64.233 34.591 1.00 0.00 O ATOM 106 CB ILE A 6 -20.715 62.488 35.673 1.00 0.00 C ATOM 107 CG1 ILE A 6 -20.111 62.704 34.276 1.00 0.00 C ATOM 108 CG2 ILE A 6 -20.237 61.142 36.220 1.00 0.00 C ATOM 109 CD1 ILE A 6 -20.098 64.195 33.942 1.00 0.00 C ATOM 0 H ILE A 6 -22.664 62.133 33.552 1.00 0.00 H new ATOM 0 HA ILE A 6 -22.635 62.063 36.540 1.00 0.00 H new ATOM 0 HB ILE A 6 -20.390 63.300 36.323 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -19.097 62.306 34.243 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -20.692 62.160 33.531 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -19.148 61.133 36.263 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -20.641 60.992 37.221 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -20.581 60.341 35.566 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -19.669 64.342 32.951 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -21.118 64.580 33.957 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -19.498 64.728 34.680 1.00 0.00 H new ATOM 121 N ASP A 7 -22.355 64.814 36.351 1.00 0.00 N ATOM 122 CA ASP A 7 -22.830 66.235 36.292 1.00 0.00 C ATOM 123 C ASP A 7 -22.572 66.834 34.904 1.00 0.00 C ATOM 124 O ASP A 7 -21.756 66.347 34.150 1.00 0.00 O ATOM 125 CB ASP A 7 -22.086 67.060 37.344 1.00 0.00 C ATOM 126 CG ASP A 7 -22.981 68.205 37.821 1.00 0.00 C ATOM 127 OD1 ASP A 7 -24.172 67.982 37.958 1.00 0.00 O ATOM 128 OD2 ASP A 7 -22.459 69.286 38.041 1.00 0.00 O ATOM 0 H ASP A 7 -21.704 64.611 37.109 1.00 0.00 H new ATOM 0 HA ASP A 7 -23.902 66.255 36.489 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -21.806 66.428 38.187 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -21.162 67.457 36.923 1.00 0.00 H new ATOM 133 N ARG A 8 -23.272 67.891 34.568 1.00 0.00 N ATOM 134 CA ARG A 8 -23.084 68.538 33.232 1.00 0.00 C ATOM 135 C ARG A 8 -23.349 67.522 32.114 1.00 0.00 C ATOM 136 O ARG A 8 -22.823 67.638 31.024 1.00 0.00 O ATOM 137 CB ARG A 8 -21.651 69.064 33.113 1.00 0.00 C ATOM 138 CG ARG A 8 -21.493 70.313 33.984 1.00 0.00 C ATOM 139 CD ARG A 8 -20.071 70.373 34.553 1.00 0.00 C ATOM 140 NE ARG A 8 -20.119 70.743 36.010 1.00 0.00 N ATOM 141 CZ ARG A 8 -20.756 71.810 36.445 1.00 0.00 C ATOM 142 NH1 ARG A 8 -21.213 72.720 35.618 1.00 0.00 N ATOM 143 NH2 ARG A 8 -20.881 71.997 37.730 1.00 0.00 N ATOM 0 H ARG A 8 -23.969 68.335 35.166 1.00 0.00 H new ATOM 0 HA ARG A 8 -23.787 69.366 33.137 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -20.943 68.297 33.427 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -21.424 69.301 32.074 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -21.697 71.207 33.394 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -22.219 70.295 34.797 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -19.579 69.408 34.430 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -19.480 71.105 34.002 1.00 0.00 H new ATOM 0 HE ARG A 8 -19.641 70.146 36.685 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -21.078 72.610 34.613 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -21.703 73.538 35.980 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -20.488 71.321 38.384 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -21.372 72.819 38.080 1.00 0.00 H new ATOM 157 N ASP A 9 -24.160 66.528 32.381 1.00 0.00 N ATOM 158 CA ASP A 9 -24.462 65.501 31.347 1.00 0.00 C ATOM 159 C ASP A 9 -25.155 66.158 30.147 1.00 0.00 C ATOM 160 O ASP A 9 -25.011 65.718 29.024 1.00 0.00 O ATOM 161 CB ASP A 9 -25.375 64.437 31.962 1.00 0.00 C ATOM 162 CG ASP A 9 -26.677 65.081 32.450 1.00 0.00 C ATOM 163 OD1 ASP A 9 -27.541 65.324 31.624 1.00 0.00 O ATOM 164 OD2 ASP A 9 -26.786 65.319 33.642 1.00 0.00 O ATOM 0 H ASP A 9 -24.626 66.387 33.277 1.00 0.00 H new ATOM 0 HA ASP A 9 -23.537 65.038 31.003 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -25.596 63.665 31.225 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -24.868 63.948 32.794 1.00 0.00 H new ATOM 169 N ALA A 10 -25.909 67.202 30.383 1.00 0.00 N ATOM 170 CA ALA A 10 -26.621 67.890 29.265 1.00 0.00 C ATOM 171 C ALA A 10 -25.604 68.483 28.287 1.00 0.00 C ATOM 172 O ALA A 10 -25.769 68.400 27.083 1.00 0.00 O ATOM 173 CB ALA A 10 -27.494 69.011 29.832 1.00 0.00 C ATOM 0 H ALA A 10 -26.062 67.608 31.306 1.00 0.00 H new ATOM 0 HA ALA A 10 -27.246 67.168 28.739 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -28.014 69.514 29.017 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -28.224 68.590 30.523 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -26.867 69.729 30.360 1.00 0.00 H new ATOM 179 N VAL A 11 -24.554 69.079 28.795 1.00 0.00 N ATOM 180 CA VAL A 11 -23.521 69.681 27.900 1.00 0.00 C ATOM 181 C VAL A 11 -22.886 68.576 27.056 1.00 0.00 C ATOM 182 O VAL A 11 -22.775 68.688 25.850 1.00 0.00 O ATOM 183 CB VAL A 11 -22.443 70.363 28.750 1.00 0.00 C ATOM 184 CG1 VAL A 11 -21.427 71.059 27.838 1.00 0.00 C ATOM 185 CG2 VAL A 11 -23.097 71.400 29.667 1.00 0.00 C ATOM 0 H VAL A 11 -24.368 69.174 29.793 1.00 0.00 H new ATOM 0 HA VAL A 11 -23.985 70.420 27.247 1.00 0.00 H new ATOM 0 HB VAL A 11 -21.932 69.612 29.352 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -20.663 71.542 28.447 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -20.959 70.322 27.186 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -21.936 71.809 27.232 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -22.331 71.885 30.272 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -23.610 72.148 29.063 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -23.816 70.906 30.320 1.00 0.00 H new ATOM 195 N LEU A 12 -22.474 67.509 27.688 1.00 0.00 N ATOM 196 CA LEU A 12 -21.843 66.384 26.938 1.00 0.00 C ATOM 197 C LEU A 12 -22.907 65.587 26.169 1.00 0.00 C ATOM 198 O LEU A 12 -22.581 64.728 25.376 1.00 0.00 O ATOM 199 CB LEU A 12 -21.132 65.456 27.924 1.00 0.00 C ATOM 200 CG LEU A 12 -19.830 66.108 28.393 1.00 0.00 C ATOM 201 CD1 LEU A 12 -20.086 66.889 29.683 1.00 0.00 C ATOM 202 CD2 LEU A 12 -18.782 65.024 28.653 1.00 0.00 C ATOM 0 H LEU A 12 -22.548 67.368 28.695 1.00 0.00 H new ATOM 0 HA LEU A 12 -21.126 66.793 26.226 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -21.778 65.253 28.779 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -20.921 64.498 27.450 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.467 66.788 27.623 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -19.158 67.354 30.017 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -20.833 67.661 29.499 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -20.450 66.209 30.454 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -17.854 65.488 28.987 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -19.146 64.344 29.423 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -18.599 64.467 27.734 1.00 0.00 H new ATOM 214 N ASN A 13 -24.173 65.853 26.391 1.00 0.00 N ATOM 215 CA ASN A 13 -25.233 65.093 25.665 1.00 0.00 C ATOM 216 C ASN A 13 -25.363 65.624 24.236 1.00 0.00 C ATOM 217 O ASN A 13 -25.586 64.873 23.307 1.00 0.00 O ATOM 218 CB ASN A 13 -26.570 65.259 26.392 1.00 0.00 C ATOM 219 CG ASN A 13 -27.596 64.289 25.804 1.00 0.00 C ATOM 220 OD1 ASN A 13 -27.931 63.296 26.419 1.00 0.00 O ATOM 221 ND2 ASN A 13 -28.112 64.535 24.632 1.00 0.00 N ATOM 0 H ASN A 13 -24.514 66.561 27.041 1.00 0.00 H new ATOM 0 HA ASN A 13 -24.961 64.038 25.635 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -26.443 65.068 27.458 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -26.925 66.285 26.292 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -28.797 63.894 24.232 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -27.831 65.369 24.116 1.00 0.00 H new ATOM 228 N MET A 14 -25.242 66.913 24.058 1.00 0.00 N ATOM 229 CA MET A 14 -25.376 67.504 22.705 1.00 0.00 C ATOM 230 C MET A 14 -24.039 67.412 21.942 1.00 0.00 C ATOM 231 O MET A 14 -23.998 67.031 20.789 1.00 0.00 O ATOM 232 CB MET A 14 -25.805 68.959 22.861 1.00 0.00 C ATOM 233 CG MET A 14 -27.116 69.014 23.648 1.00 0.00 C ATOM 234 SD MET A 14 -28.439 68.222 22.692 1.00 0.00 S ATOM 235 CE MET A 14 -29.256 67.393 24.078 1.00 0.00 C ATOM 0 H MET A 14 -25.054 67.584 24.803 1.00 0.00 H new ATOM 0 HA MET A 14 -26.123 66.956 22.130 1.00 0.00 H new ATOM 0 HB2 MET A 14 -25.031 69.525 23.380 1.00 0.00 H new ATOM 0 HB3 MET A 14 -25.935 69.420 21.882 1.00 0.00 H new ATOM 0 HG2 MET A 14 -26.996 68.511 24.607 1.00 0.00 H new ATOM 0 HG3 MET A 14 -27.379 70.050 23.862 1.00 0.00 H new ATOM 0 HE1 MET A 14 -29.633 66.424 23.751 1.00 0.00 H new ATOM 0 HE2 MET A 14 -28.541 67.250 24.889 1.00 0.00 H new ATOM 0 HE3 MET A 14 -30.086 68.005 24.430 1.00 0.00 H new ATOM 245 N TRP A 15 -22.942 67.745 22.582 1.00 0.00 N ATOM 246 CA TRP A 15 -21.601 67.675 21.903 1.00 0.00 C ATOM 247 C TRP A 15 -21.369 66.280 21.345 1.00 0.00 C ATOM 248 O TRP A 15 -20.986 66.093 20.206 1.00 0.00 O ATOM 249 CB TRP A 15 -20.497 67.897 22.935 1.00 0.00 C ATOM 250 CG TRP A 15 -20.274 69.336 23.174 1.00 0.00 C ATOM 251 CD1 TRP A 15 -20.440 69.927 24.359 1.00 0.00 C ATOM 252 CD2 TRP A 15 -19.828 70.359 22.249 1.00 0.00 C ATOM 253 NE1 TRP A 15 -20.148 71.274 24.225 1.00 0.00 N ATOM 254 CE2 TRP A 15 -19.769 71.587 22.926 1.00 0.00 C ATOM 255 CE3 TRP A 15 -19.484 70.339 20.900 1.00 0.00 C ATOM 256 CZ2 TRP A 15 -19.382 72.758 22.260 1.00 0.00 C ATOM 257 CZ3 TRP A 15 -19.097 71.498 20.241 1.00 0.00 C ATOM 258 CH2 TRP A 15 -19.052 72.707 20.919 1.00 0.00 C ATOM 0 H TRP A 15 -22.915 68.064 23.550 1.00 0.00 H new ATOM 0 HA TRP A 15 -21.585 68.428 21.115 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -20.766 67.407 23.871 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -19.573 67.435 22.588 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -20.750 69.437 25.270 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -20.204 71.952 24.985 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -19.519 69.406 20.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -19.342 73.697 22.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -18.830 71.458 19.195 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -18.759 73.608 20.400 1.00 0.00 H new ATOM 269 N GLN A 16 -21.554 65.313 22.186 1.00 0.00 N ATOM 270 CA GLN A 16 -21.306 63.906 21.802 1.00 0.00 C ATOM 271 C GLN A 16 -22.265 63.478 20.688 1.00 0.00 C ATOM 272 O GLN A 16 -21.937 62.628 19.880 1.00 0.00 O ATOM 273 CB GLN A 16 -21.473 63.047 23.051 1.00 0.00 C ATOM 274 CG GLN A 16 -20.494 63.544 24.133 1.00 0.00 C ATOM 275 CD GLN A 16 -19.087 63.025 23.825 1.00 0.00 C ATOM 276 OE1 GLN A 16 -18.774 62.722 22.691 1.00 0.00 O ATOM 277 NE2 GLN A 16 -18.221 62.911 24.794 1.00 0.00 N ATOM 0 H GLN A 16 -21.874 65.442 23.146 1.00 0.00 H new ATOM 0 HA GLN A 16 -20.296 63.785 21.410 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -22.499 63.106 23.415 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -21.277 62.000 22.818 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -20.493 64.634 24.165 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -20.814 63.197 25.115 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -18.484 63.166 25.746 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -17.281 62.567 24.600 1.00 0.00 H new ATOM 286 N GLN A 17 -23.433 64.066 20.620 1.00 0.00 N ATOM 287 CA GLN A 17 -24.391 63.697 19.536 1.00 0.00 C ATOM 288 C GLN A 17 -23.908 64.292 18.208 1.00 0.00 C ATOM 289 O GLN A 17 -24.155 63.743 17.150 1.00 0.00 O ATOM 290 CB GLN A 17 -25.779 64.240 19.871 1.00 0.00 C ATOM 291 CG GLN A 17 -26.374 63.409 21.005 1.00 0.00 C ATOM 292 CD GLN A 17 -27.592 64.128 21.588 1.00 0.00 C ATOM 293 OE1 GLN A 17 -27.599 65.336 21.707 1.00 0.00 O ATOM 294 NE2 GLN A 17 -28.630 63.429 21.957 1.00 0.00 N ATOM 0 H GLN A 17 -23.763 64.783 21.266 1.00 0.00 H new ATOM 0 HA GLN A 17 -24.444 62.612 19.449 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -25.713 65.287 20.166 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -26.423 64.196 18.993 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -26.663 62.425 20.635 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -25.627 63.250 21.783 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -28.623 62.414 21.857 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -29.448 63.898 22.346 1.00 0.00 H new ATOM 303 N GLY A 18 -23.214 65.405 18.257 1.00 0.00 N ATOM 304 CA GLY A 18 -22.704 66.033 16.999 1.00 0.00 C ATOM 305 C GLY A 18 -23.242 67.461 16.871 1.00 0.00 C ATOM 306 O GLY A 18 -24.009 67.764 15.977 1.00 0.00 O ATOM 0 H GLY A 18 -22.979 65.905 19.115 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -21.614 66.045 17.005 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -23.011 65.441 16.137 1.00 0.00 H new ATOM 310 N LEU A 19 -22.851 68.338 17.763 1.00 0.00 N ATOM 311 CA LEU A 19 -23.341 69.744 17.706 1.00 0.00 C ATOM 312 C LEU A 19 -22.171 70.712 17.882 1.00 0.00 C ATOM 313 O LEU A 19 -21.119 70.343 18.370 1.00 0.00 O ATOM 314 CB LEU A 19 -24.359 69.937 18.822 1.00 0.00 C ATOM 315 CG LEU A 19 -25.701 69.302 18.411 1.00 0.00 C ATOM 316 CD1 LEU A 19 -26.015 68.104 19.315 1.00 0.00 C ATOM 317 CD2 LEU A 19 -26.822 70.333 18.541 1.00 0.00 C ATOM 0 H LEU A 19 -22.210 68.136 18.531 1.00 0.00 H new ATOM 0 HA LEU A 19 -23.805 69.944 16.740 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -23.996 69.480 19.743 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -24.495 70.999 19.025 1.00 0.00 H new ATOM 0 HG LEU A 19 -25.627 68.966 17.377 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -26.966 67.662 19.016 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -25.224 67.360 19.221 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -26.079 68.437 20.351 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -27.769 69.879 18.249 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -26.886 70.673 19.575 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -26.612 71.183 17.892 1.00 0.00 H new ATOM 329 N GLY A 20 -22.344 71.948 17.477 1.00 0.00 N ATOM 330 CA GLY A 20 -21.232 72.941 17.610 1.00 0.00 C ATOM 331 C GLY A 20 -21.752 74.309 18.083 1.00 0.00 C ATOM 332 O GLY A 20 -22.596 74.911 17.450 1.00 0.00 O ATOM 0 H GLY A 20 -23.203 72.310 17.062 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -20.492 72.567 18.318 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -20.727 73.054 16.651 1.00 0.00 H new ATOM 336 N ALA A 21 -21.230 74.779 19.207 1.00 0.00 N ATOM 337 CA ALA A 21 -21.598 76.109 19.817 1.00 0.00 C ATOM 338 C ALA A 21 -23.031 76.581 19.498 1.00 0.00 C ATOM 339 O ALA A 21 -23.931 76.426 20.298 1.00 0.00 O ATOM 340 CB ALA A 21 -20.595 77.162 19.336 1.00 0.00 C ATOM 0 H ALA A 21 -20.532 74.267 19.747 1.00 0.00 H new ATOM 0 HA ALA A 21 -21.562 75.978 20.899 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -20.848 78.130 19.769 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -19.590 76.877 19.648 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -20.632 77.230 18.249 1.00 0.00 H new ATOM 346 N SER A 22 -23.229 77.196 18.358 1.00 0.00 N ATOM 347 CA SER A 22 -24.581 77.727 17.998 1.00 0.00 C ATOM 348 C SER A 22 -25.598 76.595 17.845 1.00 0.00 C ATOM 349 O SER A 22 -26.632 76.591 18.486 1.00 0.00 O ATOM 350 CB SER A 22 -24.483 78.495 16.679 1.00 0.00 C ATOM 351 OG SER A 22 -25.497 79.490 16.639 1.00 0.00 O ATOM 0 H SER A 22 -22.506 77.354 17.656 1.00 0.00 H new ATOM 0 HA SER A 22 -24.917 78.385 18.799 1.00 0.00 H new ATOM 0 HB2 SER A 22 -23.500 78.957 16.586 1.00 0.00 H new ATOM 0 HB3 SER A 22 -24.595 77.811 15.837 1.00 0.00 H new ATOM 0 HG SER A 22 -25.436 79.985 15.796 1.00 0.00 H new ATOM 357 N HIS A 23 -25.324 75.645 16.989 1.00 0.00 N ATOM 358 CA HIS A 23 -26.282 74.518 16.772 1.00 0.00 C ATOM 359 C HIS A 23 -26.564 73.800 18.097 1.00 0.00 C ATOM 360 O HIS A 23 -27.637 73.254 18.305 1.00 0.00 O ATOM 361 CB HIS A 23 -25.671 73.531 15.775 1.00 0.00 C ATOM 362 CG HIS A 23 -26.684 72.479 15.415 1.00 0.00 C ATOM 363 ND1 HIS A 23 -27.837 72.773 14.705 1.00 0.00 N ATOM 364 CD2 HIS A 23 -26.727 71.130 15.659 1.00 0.00 C ATOM 365 CE1 HIS A 23 -28.520 71.624 14.548 1.00 0.00 C ATOM 366 NE2 HIS A 23 -27.887 70.591 15.111 1.00 0.00 N ATOM 0 H HIS A 23 -24.474 75.601 16.428 1.00 0.00 H new ATOM 0 HA HIS A 23 -27.220 74.912 16.380 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -25.347 74.059 14.878 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -24.786 73.064 16.207 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -25.975 70.571 16.195 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -29.465 71.547 14.030 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -28.189 69.617 15.134 1.00 0.00 H new ATOM 374 N ILE A 24 -25.610 73.794 18.991 1.00 0.00 N ATOM 375 CA ILE A 24 -25.838 73.088 20.306 1.00 0.00 C ATOM 376 C ILE A 24 -26.776 73.963 21.143 1.00 0.00 C ATOM 377 O ILE A 24 -27.591 73.473 21.896 1.00 0.00 O ATOM 378 CB ILE A 24 -24.537 72.859 21.131 1.00 0.00 C ATOM 379 CG1 ILE A 24 -23.290 73.129 20.311 1.00 0.00 C ATOM 380 CG2 ILE A 24 -24.481 71.385 21.596 1.00 0.00 C ATOM 381 CD1 ILE A 24 -22.052 72.920 21.175 1.00 0.00 C ATOM 0 H ILE A 24 -24.697 74.235 18.880 1.00 0.00 H new ATOM 0 HA ILE A 24 -26.250 72.105 20.080 1.00 0.00 H new ATOM 0 HB ILE A 24 -24.562 73.548 21.975 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -23.260 72.464 19.448 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -23.309 74.149 19.927 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -23.572 71.220 22.174 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -25.350 71.166 22.216 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -24.482 70.729 20.726 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -21.158 73.115 20.583 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -22.081 73.603 22.024 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -22.030 71.892 21.537 1.00 0.00 H new ATOM 393 N SER A 25 -26.651 75.261 21.016 1.00 0.00 N ATOM 394 CA SER A 25 -27.517 76.186 21.802 1.00 0.00 C ATOM 395 C SER A 25 -28.974 75.974 21.404 1.00 0.00 C ATOM 396 O SER A 25 -29.871 76.072 22.220 1.00 0.00 O ATOM 397 CB SER A 25 -27.109 77.636 21.525 1.00 0.00 C ATOM 398 OG SER A 25 -27.608 78.036 20.254 1.00 0.00 O ATOM 0 H SER A 25 -25.982 75.720 20.398 1.00 0.00 H new ATOM 0 HA SER A 25 -27.398 75.980 22.866 1.00 0.00 H new ATOM 0 HB2 SER A 25 -27.501 78.290 22.304 1.00 0.00 H new ATOM 0 HB3 SER A 25 -26.023 77.730 21.547 1.00 0.00 H new ATOM 0 HG SER A 25 -26.963 77.791 19.558 1.00 0.00 H new ATOM 404 N LYS A 26 -29.212 75.673 20.154 1.00 0.00 N ATOM 405 CA LYS A 26 -30.606 75.441 19.694 1.00 0.00 C ATOM 406 C LYS A 26 -31.143 74.177 20.362 1.00 0.00 C ATOM 407 O LYS A 26 -32.316 74.084 20.673 1.00 0.00 O ATOM 408 CB LYS A 26 -30.626 75.269 18.178 1.00 0.00 C ATOM 409 CG LYS A 26 -30.888 76.622 17.513 1.00 0.00 C ATOM 410 CD LYS A 26 -29.574 77.401 17.399 1.00 0.00 C ATOM 411 CE LYS A 26 -28.972 77.186 16.009 1.00 0.00 C ATOM 412 NZ LYS A 26 -27.765 78.047 15.852 1.00 0.00 N ATOM 0 H LYS A 26 -28.497 75.578 19.433 1.00 0.00 H new ATOM 0 HA LYS A 26 -31.229 76.294 19.962 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -29.675 74.862 17.835 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -31.399 74.556 17.893 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -31.322 76.475 16.524 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -31.611 77.192 18.097 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -29.752 78.463 17.569 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -28.874 77.068 18.165 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -28.704 76.138 15.875 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -29.707 77.428 15.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -28.021 78.914 15.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -27.393 78.298 16.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -27.037 77.531 15.318 1.00 0.00 H new ATOM 426 N THR A 27 -30.295 73.199 20.575 1.00 0.00 N ATOM 427 CA THR A 27 -30.761 71.937 21.213 1.00 0.00 C ATOM 428 C THR A 27 -30.656 72.028 22.750 1.00 0.00 C ATOM 429 O THR A 27 -31.651 72.196 23.414 1.00 0.00 O ATOM 430 CB THR A 27 -29.926 70.770 20.681 1.00 0.00 C ATOM 431 OG1 THR A 27 -29.662 70.975 19.300 1.00 0.00 O ATOM 432 CG2 THR A 27 -30.704 69.468 20.861 1.00 0.00 C ATOM 0 H THR A 27 -29.304 73.224 20.334 1.00 0.00 H new ATOM 0 HA THR A 27 -31.810 71.774 20.964 1.00 0.00 H new ATOM 0 HB THR A 27 -28.986 70.711 21.229 1.00 0.00 H new ATOM 0 HG1 THR A 27 -29.888 70.163 18.800 1.00 0.00 H new ATOM 0 HG21 THR A 27 -30.112 68.635 20.483 1.00 0.00 H new ATOM 0 HG22 THR A 27 -30.914 69.313 21.919 1.00 0.00 H new ATOM 0 HG23 THR A 27 -31.642 69.526 20.309 1.00 0.00 H new ATOM 440 N MET A 28 -29.471 71.908 23.312 1.00 0.00 N ATOM 441 CA MET A 28 -29.298 71.967 24.801 1.00 0.00 C ATOM 442 C MET A 28 -27.864 72.402 25.148 1.00 0.00 C ATOM 443 O MET A 28 -27.009 71.569 25.399 1.00 0.00 O ATOM 444 CB MET A 28 -29.531 70.564 25.387 1.00 0.00 C ATOM 445 CG MET A 28 -31.014 70.347 25.696 1.00 0.00 C ATOM 446 SD MET A 28 -31.543 71.481 27.006 1.00 0.00 S ATOM 447 CE MET A 28 -32.444 72.638 25.947 1.00 0.00 C ATOM 0 H MET A 28 -28.605 71.770 22.792 1.00 0.00 H new ATOM 0 HA MET A 28 -30.010 72.682 25.214 1.00 0.00 H new ATOM 0 HB2 MET A 28 -29.187 69.808 24.681 1.00 0.00 H new ATOM 0 HB3 MET A 28 -28.943 70.442 26.297 1.00 0.00 H new ATOM 0 HG2 MET A 28 -31.609 70.512 24.798 1.00 0.00 H new ATOM 0 HG3 MET A 28 -31.183 69.316 26.006 1.00 0.00 H new ATOM 0 HE1 MET A 28 -33.193 73.165 26.538 1.00 0.00 H new ATOM 0 HE2 MET A 28 -31.747 73.358 25.519 1.00 0.00 H new ATOM 0 HE3 MET A 28 -32.936 72.089 25.144 1.00 0.00 H new ATOM 457 N ASN A 29 -27.572 73.686 25.145 1.00 0.00 N ATOM 458 CA ASN A 29 -26.179 74.115 25.451 1.00 0.00 C ATOM 459 C ASN A 29 -26.111 75.524 26.055 1.00 0.00 C ATOM 460 O ASN A 29 -25.335 75.758 26.954 1.00 0.00 O ATOM 461 CB ASN A 29 -25.427 74.109 24.144 1.00 0.00 C ATOM 462 CG ASN A 29 -23.978 73.673 24.366 1.00 0.00 C ATOM 463 OD1 ASN A 29 -23.065 74.322 23.898 1.00 0.00 O ATOM 464 ND2 ASN A 29 -23.729 72.587 25.048 1.00 0.00 N ATOM 0 H ASN A 29 -28.231 74.439 24.946 1.00 0.00 H new ATOM 0 HA ASN A 29 -25.753 73.435 26.188 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -25.913 73.433 23.440 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -25.450 75.104 23.699 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -22.766 72.283 25.188 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -24.498 72.044 25.440 1.00 0.00 H new ATOM 471 N ILE A 30 -26.888 76.452 25.532 1.00 0.00 N ATOM 472 CA ILE A 30 -26.880 77.893 26.007 1.00 0.00 C ATOM 473 C ILE A 30 -25.462 78.484 26.058 1.00 0.00 C ATOM 474 O ILE A 30 -24.512 77.825 26.386 1.00 0.00 O ATOM 475 CB ILE A 30 -27.562 78.102 27.381 1.00 0.00 C ATOM 476 CG1 ILE A 30 -27.735 76.798 28.177 1.00 0.00 C ATOM 477 CG2 ILE A 30 -28.937 78.752 27.171 1.00 0.00 C ATOM 478 CD1 ILE A 30 -28.330 77.129 29.546 1.00 0.00 C ATOM 0 H ILE A 30 -27.547 76.271 24.775 1.00 0.00 H new ATOM 0 HA ILE A 30 -27.468 78.423 25.258 1.00 0.00 H new ATOM 0 HB ILE A 30 -26.907 78.748 27.966 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -28.388 76.111 27.638 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -26.774 76.298 28.295 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -29.420 78.901 28.137 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -28.812 79.715 26.675 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -29.556 78.103 26.552 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -28.457 76.211 30.119 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -27.659 77.801 30.081 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -29.298 77.612 29.415 1.00 0.00 H new ATOM 490 N ALA A 31 -25.347 79.764 25.756 1.00 0.00 N ATOM 491 CA ALA A 31 -24.017 80.487 25.785 1.00 0.00 C ATOM 492 C ALA A 31 -22.890 79.604 25.222 1.00 0.00 C ATOM 493 O ALA A 31 -22.366 78.768 25.914 1.00 0.00 O ATOM 494 CB ALA A 31 -23.695 80.860 27.230 1.00 0.00 C ATOM 0 H ALA A 31 -26.135 80.353 25.485 1.00 0.00 H new ATOM 0 HA ALA A 31 -24.089 81.380 25.164 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -22.739 81.382 27.267 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -24.478 81.509 27.621 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -23.638 79.955 27.835 1.00 0.00 H new ATOM 500 N ARG A 32 -22.536 79.762 23.972 1.00 0.00 N ATOM 501 CA ARG A 32 -21.482 78.892 23.380 1.00 0.00 C ATOM 502 C ARG A 32 -20.094 79.168 23.968 1.00 0.00 C ATOM 503 O ARG A 32 -19.351 78.243 24.242 1.00 0.00 O ATOM 504 CB ARG A 32 -21.461 79.101 21.867 1.00 0.00 C ATOM 505 CG ARG A 32 -21.150 80.565 21.537 1.00 0.00 C ATOM 506 CD ARG A 32 -19.642 80.744 21.341 1.00 0.00 C ATOM 507 NE ARG A 32 -19.332 80.791 19.878 1.00 0.00 N ATOM 508 CZ ARG A 32 -18.165 81.219 19.436 1.00 0.00 C ATOM 509 NH1 ARG A 32 -17.223 81.621 20.258 1.00 0.00 N ATOM 510 NH2 ARG A 32 -17.942 81.243 18.150 1.00 0.00 N ATOM 0 H ARG A 32 -22.932 80.456 23.338 1.00 0.00 H new ATOM 0 HA ARG A 32 -21.725 77.857 23.620 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -20.712 78.452 21.414 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -22.425 78.822 21.441 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -21.681 80.864 20.634 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -21.501 81.211 22.342 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -19.308 81.662 21.824 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -19.103 79.922 21.812 1.00 0.00 H new ATOM 0 HE ARG A 32 -20.038 80.486 19.208 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -17.385 81.607 21.265 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -16.330 81.947 19.889 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -18.665 80.933 17.501 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -17.044 81.571 17.794 1.00 0.00 H new ATOM 524 N SER A 33 -19.725 80.408 24.157 1.00 0.00 N ATOM 525 CA SER A 33 -18.366 80.698 24.719 1.00 0.00 C ATOM 526 C SER A 33 -18.285 80.126 26.139 1.00 0.00 C ATOM 527 O SER A 33 -17.314 79.493 26.522 1.00 0.00 O ATOM 528 CB SER A 33 -18.135 82.209 24.757 1.00 0.00 C ATOM 529 OG SER A 33 -18.167 82.722 23.432 1.00 0.00 O ATOM 0 H SER A 33 -20.297 81.227 23.950 1.00 0.00 H new ATOM 0 HA SER A 33 -17.601 80.239 24.092 1.00 0.00 H new ATOM 0 HB2 SER A 33 -18.901 82.691 25.364 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.174 82.430 25.222 1.00 0.00 H new ATOM 0 HG SER A 33 -18.021 83.691 23.453 1.00 0.00 H new ATOM 535 N THR A 34 -19.317 80.330 26.911 1.00 0.00 N ATOM 536 CA THR A 34 -19.354 79.793 28.302 1.00 0.00 C ATOM 537 C THR A 34 -19.312 78.266 28.237 1.00 0.00 C ATOM 538 O THR A 34 -18.708 77.595 29.063 1.00 0.00 O ATOM 539 CB THR A 34 -20.672 80.227 28.945 1.00 0.00 C ATOM 540 OG1 THR A 34 -20.769 81.644 28.909 1.00 0.00 O ATOM 541 CG2 THR A 34 -20.732 79.745 30.397 1.00 0.00 C ATOM 0 H THR A 34 -20.148 80.853 26.634 1.00 0.00 H new ATOM 0 HA THR A 34 -18.508 80.164 28.881 1.00 0.00 H new ATOM 0 HB THR A 34 -21.502 79.788 28.392 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.614 81.925 29.319 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.674 80.059 30.846 1.00 0.00 H new ATOM 0 HG22 THR A 34 -20.663 78.658 30.423 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.902 80.175 30.958 1.00 0.00 H new ATOM 549 N VAL A 35 -19.955 77.723 27.243 1.00 0.00 N ATOM 550 CA VAL A 35 -19.987 76.255 27.071 1.00 0.00 C ATOM 551 C VAL A 35 -18.563 75.776 26.775 1.00 0.00 C ATOM 552 O VAL A 35 -18.215 74.673 27.115 1.00 0.00 O ATOM 553 CB VAL A 35 -20.976 75.911 25.933 1.00 0.00 C ATOM 554 CG1 VAL A 35 -20.811 74.456 25.455 1.00 0.00 C ATOM 555 CG2 VAL A 35 -22.408 76.105 26.456 1.00 0.00 C ATOM 0 H VAL A 35 -20.467 78.248 26.533 1.00 0.00 H new ATOM 0 HA VAL A 35 -20.333 75.748 27.972 1.00 0.00 H new ATOM 0 HB VAL A 35 -20.772 76.568 25.088 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -21.523 74.253 24.655 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -19.797 74.308 25.084 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -20.996 73.777 26.287 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -23.120 75.867 25.665 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -22.577 75.446 27.307 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -22.545 77.141 26.767 1.00 0.00 H new ATOM 565 N TYR A 36 -17.736 76.600 26.166 1.00 0.00 N ATOM 566 CA TYR A 36 -16.331 76.161 25.885 1.00 0.00 C ATOM 567 C TYR A 36 -15.508 76.191 27.154 1.00 0.00 C ATOM 568 O TYR A 36 -14.531 75.478 27.269 1.00 0.00 O ATOM 569 CB TYR A 36 -15.688 76.996 24.775 1.00 0.00 C ATOM 570 CG TYR A 36 -16.089 76.426 23.425 1.00 0.00 C ATOM 571 CD1 TYR A 36 -16.102 75.033 23.197 1.00 0.00 C ATOM 572 CD2 TYR A 36 -16.459 77.298 22.407 1.00 0.00 C ATOM 573 CE1 TYR A 36 -16.489 74.521 21.962 1.00 0.00 C ATOM 574 CE2 TYR A 36 -16.841 76.796 21.162 1.00 0.00 C ATOM 575 CZ TYR A 36 -16.862 75.408 20.933 1.00 0.00 C ATOM 576 OH TYR A 36 -17.225 74.926 19.693 1.00 0.00 O ATOM 0 H TYR A 36 -17.971 77.543 25.856 1.00 0.00 H new ATOM 0 HA TYR A 36 -16.363 75.133 25.524 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -16.007 78.035 24.854 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -14.603 76.987 24.879 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -15.809 74.358 23.988 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -16.451 78.364 22.580 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -16.503 73.454 21.794 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -17.122 77.476 20.371 1.00 0.00 H new ATOM 0 HH TYR A 36 -17.185 73.947 19.698 1.00 0.00 H new ATOM 586 N LYS A 37 -15.922 76.936 28.141 1.00 0.00 N ATOM 587 CA LYS A 37 -15.197 76.906 29.433 1.00 0.00 C ATOM 588 C LYS A 37 -15.352 75.482 29.992 1.00 0.00 C ATOM 589 O LYS A 37 -14.463 74.919 30.600 1.00 0.00 O ATOM 590 CB LYS A 37 -15.852 77.901 30.388 1.00 0.00 C ATOM 591 CG LYS A 37 -15.882 79.300 29.758 1.00 0.00 C ATOM 592 CD LYS A 37 -14.460 79.745 29.411 1.00 0.00 C ATOM 593 CE LYS A 37 -14.495 81.143 28.791 1.00 0.00 C ATOM 594 NZ LYS A 37 -13.327 81.313 27.882 1.00 0.00 N ATOM 0 H LYS A 37 -16.728 77.560 28.106 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.146 77.168 29.312 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.866 77.578 30.622 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -15.302 77.930 31.328 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -16.499 79.291 28.859 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -16.336 80.010 30.449 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.841 79.750 30.308 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.007 79.039 28.715 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.423 81.284 28.238 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.473 81.901 29.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.351 82.263 27.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.446 81.196 28.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.367 80.598 27.127 1.00 0.00 H new ATOM 608 N VAL A 38 -16.510 74.919 29.760 1.00 0.00 N ATOM 609 CA VAL A 38 -16.839 73.543 30.221 1.00 0.00 C ATOM 610 C VAL A 38 -16.116 72.473 29.355 1.00 0.00 C ATOM 611 O VAL A 38 -15.425 71.612 29.863 1.00 0.00 O ATOM 612 CB VAL A 38 -18.378 73.401 30.107 1.00 0.00 C ATOM 613 CG1 VAL A 38 -18.828 71.937 29.967 1.00 0.00 C ATOM 614 CG2 VAL A 38 -19.025 74.013 31.349 1.00 0.00 C ATOM 0 H VAL A 38 -17.266 75.377 29.251 1.00 0.00 H new ATOM 0 HA VAL A 38 -16.504 73.385 31.246 1.00 0.00 H new ATOM 0 HB VAL A 38 -18.693 73.923 29.204 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -19.915 71.896 29.891 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -18.385 71.504 29.070 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -18.504 71.372 30.841 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -20.109 73.918 31.279 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -18.672 73.491 32.238 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -18.757 75.067 31.417 1.00 0.00 H new ATOM 624 N ILE A 39 -16.320 72.508 28.063 1.00 0.00 N ATOM 625 CA ILE A 39 -15.713 71.492 27.138 1.00 0.00 C ATOM 626 C ILE A 39 -14.199 71.465 27.321 1.00 0.00 C ATOM 627 O ILE A 39 -13.562 70.436 27.205 1.00 0.00 O ATOM 628 CB ILE A 39 -16.079 71.853 25.696 1.00 0.00 C ATOM 629 CG1 ILE A 39 -17.591 71.994 25.578 1.00 0.00 C ATOM 630 CG2 ILE A 39 -15.634 70.774 24.710 1.00 0.00 C ATOM 631 CD1 ILE A 39 -17.892 73.164 24.681 1.00 0.00 C ATOM 0 H ILE A 39 -16.893 73.211 27.597 1.00 0.00 H new ATOM 0 HA ILE A 39 -16.101 70.499 27.367 1.00 0.00 H new ATOM 0 HB ILE A 39 -15.571 72.787 25.455 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -18.026 71.082 25.170 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -18.035 72.146 26.562 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -15.912 71.069 23.698 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.552 70.652 24.768 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.119 69.830 24.960 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -18.971 73.280 24.585 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -17.466 74.071 25.111 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -17.457 72.990 23.697 1.00 0.00 H new ATOM 643 N ASN A 40 -13.635 72.593 27.634 1.00 0.00 N ATOM 644 CA ASN A 40 -12.169 72.671 27.867 1.00 0.00 C ATOM 645 C ASN A 40 -11.847 71.938 29.166 1.00 0.00 C ATOM 646 O ASN A 40 -10.862 71.231 29.267 1.00 0.00 O ATOM 647 CB ASN A 40 -11.760 74.135 28.007 1.00 0.00 C ATOM 648 CG ASN A 40 -10.235 74.246 27.989 1.00 0.00 C ATOM 649 OD1 ASN A 40 -9.611 74.362 29.025 1.00 0.00 O ATOM 650 ND2 ASN A 40 -9.604 74.214 26.847 1.00 0.00 N ATOM 0 H ASN A 40 -14.133 73.477 27.740 1.00 0.00 H new ATOM 0 HA ASN A 40 -11.631 72.219 27.033 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -12.187 74.722 27.194 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -12.154 74.546 28.937 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.587 74.286 26.824 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -10.128 74.117 25.977 1.00 0.00 H new ATOM 657 N GLU A 41 -12.681 72.106 30.163 1.00 0.00 N ATOM 658 CA GLU A 41 -12.442 71.425 31.469 1.00 0.00 C ATOM 659 C GLU A 41 -12.493 69.908 31.273 1.00 0.00 C ATOM 660 O GLU A 41 -11.834 69.162 31.972 1.00 0.00 O ATOM 661 CB GLU A 41 -13.520 71.848 32.469 1.00 0.00 C ATOM 662 CG GLU A 41 -13.320 73.317 32.847 1.00 0.00 C ATOM 663 CD GLU A 41 -14.629 73.887 33.394 1.00 0.00 C ATOM 664 OE1 GLU A 41 -15.297 73.182 34.133 1.00 0.00 O ATOM 665 OE2 GLU A 41 -14.943 75.019 33.064 1.00 0.00 O ATOM 0 H GLU A 41 -13.518 72.687 30.126 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.461 71.707 31.851 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -14.510 71.705 32.035 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -13.470 71.222 33.360 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.532 73.407 33.594 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.999 73.887 31.975 1.00 0.00 H new ATOM 672 N SER A 42 -13.272 69.451 30.325 1.00 0.00 N ATOM 673 CA SER A 42 -13.373 67.983 30.075 1.00 0.00 C ATOM 674 C SER A 42 -12.414 67.591 28.948 1.00 0.00 C ATOM 675 O SER A 42 -12.804 67.473 27.802 1.00 0.00 O ATOM 676 CB SER A 42 -14.806 67.632 29.671 1.00 0.00 C ATOM 677 OG SER A 42 -15.064 66.271 29.992 1.00 0.00 O ATOM 0 H SER A 42 -13.843 70.034 29.713 1.00 0.00 H new ATOM 0 HA SER A 42 -13.109 67.440 30.983 1.00 0.00 H new ATOM 0 HB2 SER A 42 -15.512 68.280 30.190 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.946 67.799 28.603 1.00 0.00 H new ATOM 0 HG SER A 42 -16.032 66.124 30.042 1.00 0.00 H new ATOM 683 N ASN A 43 -11.161 67.391 29.269 1.00 0.00 N ATOM 684 CA ASN A 43 -10.166 67.007 28.225 1.00 0.00 C ATOM 685 C ASN A 43 -10.196 65.490 28.025 1.00 0.00 C ATOM 686 O ASN A 43 -9.359 64.993 27.290 1.00 0.00 O ATOM 687 CB ASN A 43 -8.767 67.435 28.672 1.00 0.00 C ATOM 688 CG ASN A 43 -8.638 68.955 28.561 1.00 0.00 C ATOM 689 OD1 ASN A 43 -8.611 69.497 27.474 1.00 0.00 O ATOM 690 ND2 ASN A 43 -8.556 69.672 29.649 1.00 0.00 N ATOM 691 OXT ASN A 43 -11.055 64.852 28.611 1.00 0.00 O ATOM 0 H ASN A 43 -10.784 67.478 30.213 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.415 67.502 27.286 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.590 67.119 29.700 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.012 66.949 28.054 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.469 70.686 29.586 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.579 69.218 30.562 1.00 0.00 H new TER 698 ASN A 43