USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 587 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 46 HIS :FLIP no HD1:sc= -1.08 F(o=-2.8,f=-1.1) USER MOD Set 1.2: A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 12 GLN : amide:sc= -0.0558 X(o=-0.056,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.93) USER MOD Single : A 26 LYS NZ :NH3+ -148:sc= -0.345 (180deg=-1.54!) USER MOD Single : A 29 ASN : amide:sc= 0.798 K(o=0.8,f=-2.6!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.117 K(o=-0.12,f=-0.97) USER MOD Single : A 37 TYR OH : rot 99:sc= -0.398 USER MOD Single : A 38 GLN : amide:sc= -1.17 X(o=-1.2,f=-0.87) USER MOD Single : A 39 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.019) USER MOD Single : A 42 GLN : amide:sc= -0.0474 K(o=-0.047,f=-1.6!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -148:sc= 1.27 (180deg=0.514) USER MOD Single : A 53 GLN :FLIP amide:sc= -1.1 F(o=-1.8!,f=-1.1) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 159:sc= -0.458 (180deg=-0.771) USER MOD Single : A 59 GLN : amide:sc= -1.09 X(o=-1.1,f=-1.1) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot -170:sc= -2.42 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 70:sc= -1.15! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 158:sc= 0.238 (180deg=0.0261) USER MOD Single : A 78 TYR OH : rot 141:sc= 0.301! USER MOD Single : A 80 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0302) USER MOD Single : A 81 ASN : amide:sc= -2.17 K(o=-2.2,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -2.581 13.532 2.647 1.00 74.00 N ATOM 2 CA ASN A 10 -1.875 12.374 2.111 1.00 51.40 C ATOM 3 C ASN A 10 -2.262 11.104 2.864 1.00 65.30 C ATOM 4 O ASN A 10 -2.278 10.013 2.294 1.00 5.42 O ATOM 5 CB ASN A 10 -0.363 12.589 2.195 1.00 54.30 C ATOM 6 CG ASN A 10 0.063 13.926 1.620 1.00 13.20 C ATOM 7 OD1 ASN A 10 0.092 14.936 2.323 1.00 3.23 O ATOM 8 ND2 ASN A 10 0.397 13.938 0.335 1.00 24.30 N ATOM 0 HA ASN A 10 -2.161 12.257 1.066 1.00 51.40 H new ATOM 0 HB2 ASN A 10 -0.047 12.527 3.236 1.00 54.30 H new ATOM 0 HB3 ASN A 10 0.146 11.787 1.659 1.00 54.30 H new ATOM 0 HD21 ASN A 10 0.692 14.808 -0.107 1.00 24.30 H new ATOM 0 HD22 ASN A 10 0.358 13.077 -0.210 1.00 24.30 H new ATOM 15 N LEU A 11 -2.573 11.255 4.147 1.00 3.42 N ATOM 16 CA LEU A 11 -2.960 10.120 4.977 1.00 44.40 C ATOM 17 C LEU A 11 -4.353 9.623 4.605 1.00 52.30 C ATOM 18 O LEU A 11 -4.611 8.419 4.593 1.00 75.40 O ATOM 19 CB LEU A 11 -2.923 10.508 6.457 1.00 54.20 C ATOM 20 CG LEU A 11 -3.213 9.367 7.433 1.00 3.03 C ATOM 21 CD1 LEU A 11 -1.931 8.630 7.789 1.00 14.10 C ATOM 22 CD2 LEU A 11 -3.890 9.899 8.687 1.00 35.40 C ATOM 0 H LEU A 11 -2.565 12.151 4.634 1.00 3.42 H new ATOM 0 HA LEU A 11 -2.248 9.314 4.801 1.00 44.40 H new ATOM 0 HB2 LEU A 11 -1.940 10.919 6.685 1.00 54.20 H new ATOM 0 HB3 LEU A 11 -3.648 11.304 6.626 1.00 54.20 H new ATOM 0 HG LEU A 11 -3.890 8.663 6.949 1.00 3.03 H new ATOM 0 HD11 LEU A 11 -2.157 7.822 8.484 1.00 14.10 H new ATOM 0 HD12 LEU A 11 -1.486 8.216 6.884 1.00 14.10 H new ATOM 0 HD13 LEU A 11 -1.230 9.323 8.254 1.00 14.10 H new ATOM 0 HD21 LEU A 11 -4.089 9.074 9.371 1.00 35.40 H new ATOM 0 HD22 LEU A 11 -3.237 10.624 9.173 1.00 35.40 H new ATOM 0 HD23 LEU A 11 -4.829 10.381 8.417 1.00 35.40 H new ATOM 34 N GLN A 12 -5.248 10.557 4.302 1.00 32.30 N ATOM 35 CA GLN A 12 -6.615 10.213 3.929 1.00 73.30 C ATOM 36 C GLN A 12 -6.635 9.337 2.681 1.00 61.30 C ATOM 37 O GLN A 12 -7.399 8.376 2.597 1.00 12.10 O ATOM 38 CB GLN A 12 -7.435 11.483 3.688 1.00 72.20 C ATOM 39 CG GLN A 12 -8.936 11.243 3.668 1.00 72.20 C ATOM 40 CD GLN A 12 -9.664 12.189 2.734 1.00 43.00 C ATOM 41 OE1 GLN A 12 -10.530 11.775 1.964 1.00 74.30 O ATOM 42 NE2 GLN A 12 -9.316 13.469 2.798 1.00 15.40 N ATOM 0 H GLN A 12 -5.051 11.558 4.307 1.00 32.30 H new ATOM 0 HA GLN A 12 -7.059 9.652 4.751 1.00 73.30 H new ATOM 0 HB2 GLN A 12 -7.202 12.209 4.467 1.00 72.20 H new ATOM 0 HB3 GLN A 12 -7.133 11.926 2.739 1.00 72.20 H new ATOM 0 HG2 GLN A 12 -9.132 10.215 3.363 1.00 72.20 H new ATOM 0 HG3 GLN A 12 -9.332 11.358 4.677 1.00 72.20 H new ATOM 0 HE21 GLN A 12 -8.592 13.769 3.452 1.00 15.40 H new ATOM 0 HE22 GLN A 12 -9.772 14.152 2.194 1.00 15.40 H new ATOM 51 N LYS A 13 -5.790 9.676 1.713 1.00 71.20 N ATOM 52 CA LYS A 13 -5.710 8.919 0.469 1.00 50.50 C ATOM 53 C LYS A 13 -5.046 7.565 0.697 1.00 43.20 C ATOM 54 O LYS A 13 -5.405 6.573 0.063 1.00 4.04 O ATOM 55 CB LYS A 13 -4.933 9.711 -0.585 1.00 51.20 C ATOM 56 CG LYS A 13 -5.456 9.518 -1.999 1.00 61.40 C ATOM 57 CD LYS A 13 -4.327 9.531 -3.017 1.00 23.40 C ATOM 58 CE LYS A 13 -4.767 10.164 -4.327 1.00 15.10 C ATOM 59 NZ LYS A 13 -5.523 9.207 -5.181 1.00 54.30 N ATOM 0 H LYS A 13 -5.151 10.470 1.766 1.00 71.20 H new ATOM 0 HA LYS A 13 -6.725 8.749 0.110 1.00 50.50 H new ATOM 0 HB2 LYS A 13 -4.973 10.771 -0.333 1.00 51.20 H new ATOM 0 HB3 LYS A 13 -3.885 9.414 -0.551 1.00 51.20 H new ATOM 0 HG2 LYS A 13 -5.994 8.572 -2.063 1.00 61.40 H new ATOM 0 HG3 LYS A 13 -6.169 10.308 -2.235 1.00 61.40 H new ATOM 0 HD2 LYS A 13 -3.477 10.081 -2.613 1.00 23.40 H new ATOM 0 HD3 LYS A 13 -3.988 8.511 -3.200 1.00 23.40 H new ATOM 0 HE2 LYS A 13 -5.390 11.034 -4.118 1.00 15.10 H new ATOM 0 HE3 LYS A 13 -3.892 10.521 -4.869 1.00 15.10 H new ATOM 0 HZ1 LYS A 13 -5.805 9.678 -6.064 1.00 54.30 H new ATOM 0 HZ2 LYS A 13 -4.921 8.388 -5.402 1.00 54.30 H new ATOM 0 HZ3 LYS A 13 -6.372 8.885 -4.674 1.00 54.30 H new ATOM 73 N ALA A 14 -4.077 7.533 1.605 1.00 33.50 N ATOM 74 CA ALA A 14 -3.363 6.301 1.917 1.00 31.20 C ATOM 75 C ALA A 14 -4.317 5.228 2.430 1.00 23.40 C ATOM 76 O ALA A 14 -4.182 4.051 2.096 1.00 72.20 O ATOM 77 CB ALA A 14 -2.269 6.570 2.939 1.00 65.00 C ATOM 0 H ALA A 14 -3.768 8.346 2.138 1.00 33.50 H new ATOM 0 HA ALA A 14 -2.905 5.933 0.999 1.00 31.20 H new ATOM 0 HB1 ALA A 14 -1.744 5.641 3.163 1.00 65.00 H new ATOM 0 HB2 ALA A 14 -1.564 7.297 2.535 1.00 65.00 H new ATOM 0 HB3 ALA A 14 -2.714 6.965 3.853 1.00 65.00 H new ATOM 83 N ILE A 15 -5.283 5.643 3.243 1.00 22.10 N ATOM 84 CA ILE A 15 -6.261 4.717 3.802 1.00 64.00 C ATOM 85 C ILE A 15 -7.315 4.340 2.766 1.00 5.21 C ATOM 86 O ILE A 15 -7.852 3.233 2.788 1.00 51.50 O ATOM 87 CB ILE A 15 -6.962 5.318 5.036 1.00 43.40 C ATOM 88 CG1 ILE A 15 -5.930 5.884 6.012 1.00 52.40 C ATOM 89 CG2 ILE A 15 -7.825 4.267 5.719 1.00 32.30 C ATOM 90 CD1 ILE A 15 -6.520 6.828 7.036 1.00 23.50 C ATOM 0 H ILE A 15 -5.409 6.614 3.529 1.00 22.10 H new ATOM 0 HA ILE A 15 -5.715 3.823 4.103 1.00 64.00 H new ATOM 0 HB ILE A 15 -7.607 6.133 4.707 1.00 43.40 H new ATOM 0 HG12 ILE A 15 -5.441 5.059 6.530 1.00 52.40 H new ATOM 0 HG13 ILE A 15 -5.158 6.409 5.448 1.00 52.40 H new ATOM 0 HG21 ILE A 15 -8.314 4.706 6.589 1.00 32.30 H new ATOM 0 HG22 ILE A 15 -8.581 3.908 5.021 1.00 32.30 H new ATOM 0 HG23 ILE A 15 -7.199 3.433 6.037 1.00 32.30 H new ATOM 0 HD11 ILE A 15 -5.730 7.190 7.694 1.00 23.50 H new ATOM 0 HD12 ILE A 15 -6.984 7.673 6.527 1.00 23.50 H new ATOM 0 HD13 ILE A 15 -7.271 6.302 7.625 1.00 23.50 H new ATOM 102 N ASP A 16 -7.606 5.268 1.861 1.00 50.00 N ATOM 103 CA ASP A 16 -8.596 5.033 0.816 1.00 3.22 C ATOM 104 C ASP A 16 -8.079 4.025 -0.206 1.00 31.30 C ATOM 105 O ASP A 16 -8.763 3.057 -0.538 1.00 14.10 O ATOM 106 CB ASP A 16 -8.954 6.346 0.118 1.00 12.20 C ATOM 107 CG ASP A 16 -10.380 6.367 -0.374 1.00 31.50 C ATOM 108 OD1 ASP A 16 -10.820 5.358 -0.964 1.00 24.40 O ATOM 109 OD2 ASP A 16 -11.070 7.393 -0.171 1.00 14.20 O ATOM 0 H ASP A 16 -7.171 6.190 1.830 1.00 50.00 H new ATOM 0 HA ASP A 16 -9.491 4.623 1.284 1.00 3.22 H new ATOM 0 HB2 ASP A 16 -8.799 7.175 0.808 1.00 12.20 H new ATOM 0 HB3 ASP A 16 -8.280 6.502 -0.724 1.00 12.20 H new ATOM 114 N LEU A 17 -6.868 4.260 -0.700 1.00 35.10 N ATOM 115 CA LEU A 17 -6.259 3.372 -1.684 1.00 34.20 C ATOM 116 C LEU A 17 -6.090 1.966 -1.118 1.00 52.40 C ATOM 117 O LEU A 17 -6.296 0.975 -1.818 1.00 63.10 O ATOM 118 CB LEU A 17 -4.903 3.923 -2.128 1.00 41.10 C ATOM 119 CG LEU A 17 -4.968 5.166 -3.017 1.00 21.20 C ATOM 120 CD1 LEU A 17 -3.745 6.043 -2.797 1.00 53.40 C ATOM 121 CD2 LEU A 17 -5.085 4.768 -4.480 1.00 74.10 C ATOM 0 H LEU A 17 -6.289 5.057 -0.435 1.00 35.10 H new ATOM 0 HA LEU A 17 -6.922 3.318 -2.548 1.00 34.20 H new ATOM 0 HB2 LEU A 17 -4.316 4.160 -1.241 1.00 41.10 H new ATOM 0 HB3 LEU A 17 -4.368 3.139 -2.664 1.00 41.10 H new ATOM 0 HG LEU A 17 -5.854 5.739 -2.745 1.00 21.20 H new ATOM 0 HD11 LEU A 17 -3.808 6.923 -3.438 1.00 53.40 H new ATOM 0 HD12 LEU A 17 -3.705 6.356 -1.754 1.00 53.40 H new ATOM 0 HD13 LEU A 17 -2.845 5.480 -3.042 1.00 53.40 H new ATOM 0 HD21 LEU A 17 -5.130 5.664 -5.098 1.00 74.10 H new ATOM 0 HD22 LEU A 17 -4.217 4.173 -4.766 1.00 74.10 H new ATOM 0 HD23 LEU A 17 -5.992 4.181 -4.626 1.00 74.10 H new ATOM 133 N ALA A 18 -5.713 1.888 0.154 1.00 73.20 N ATOM 134 CA ALA A 18 -5.516 0.603 0.815 1.00 60.10 C ATOM 135 C ALA A 18 -6.802 -0.217 0.815 1.00 22.30 C ATOM 136 O ALA A 18 -6.786 -1.414 0.532 1.00 54.50 O ATOM 137 CB ALA A 18 -5.022 0.813 2.238 1.00 23.10 C ATOM 0 H ALA A 18 -5.538 2.699 0.747 1.00 73.20 H new ATOM 0 HA ALA A 18 -4.762 0.047 0.258 1.00 60.10 H new ATOM 0 HB1 ALA A 18 -4.879 -0.154 2.720 1.00 23.10 H new ATOM 0 HB2 ALA A 18 -4.075 1.352 2.219 1.00 23.10 H new ATOM 0 HB3 ALA A 18 -5.758 1.392 2.797 1.00 23.10 H new ATOM 143 N SER A 19 -7.914 0.437 1.135 1.00 22.40 N ATOM 144 CA SER A 19 -9.210 -0.232 1.172 1.00 24.40 C ATOM 145 C SER A 19 -9.577 -0.784 -0.202 1.00 30.20 C ATOM 146 O SER A 19 -10.140 -1.873 -0.314 1.00 0.43 O ATOM 147 CB SER A 19 -10.290 0.735 1.652 1.00 22.10 C ATOM 148 OG SER A 19 -10.330 0.797 3.067 1.00 74.50 O ATOM 0 H SER A 19 -7.944 1.429 1.372 1.00 22.40 H new ATOM 0 HA SER A 19 -9.142 -1.066 1.871 1.00 24.40 H new ATOM 0 HB2 SER A 19 -10.098 1.729 1.247 1.00 22.10 H new ATOM 0 HB3 SER A 19 -11.261 0.418 1.272 1.00 22.10 H new ATOM 0 HG SER A 19 -11.029 1.424 3.347 1.00 74.50 H new ATOM 154 N LYS A 20 -9.254 -0.025 -1.244 1.00 52.10 N ATOM 155 CA LYS A 20 -9.550 -0.438 -2.611 1.00 24.30 C ATOM 156 C LYS A 20 -8.671 -1.613 -3.027 1.00 70.50 C ATOM 157 O LYS A 20 -9.150 -2.581 -3.616 1.00 4.21 O ATOM 158 CB LYS A 20 -9.347 0.733 -3.575 1.00 50.30 C ATOM 159 CG LYS A 20 -10.580 1.589 -3.762 1.00 31.40 C ATOM 160 CD LYS A 20 -11.370 1.168 -4.993 1.00 53.30 C ATOM 161 CE LYS A 20 -11.940 2.370 -5.728 1.00 10.00 C ATOM 162 NZ LYS A 20 -13.350 2.636 -5.344 1.00 32.00 N ATOM 0 H LYS A 20 -8.787 0.879 -1.168 1.00 52.10 H new ATOM 0 HA LYS A 20 -10.592 -0.756 -2.651 1.00 24.30 H new ATOM 0 HB2 LYS A 20 -8.534 1.359 -3.206 1.00 50.30 H new ATOM 0 HB3 LYS A 20 -9.035 0.344 -4.544 1.00 50.30 H new ATOM 0 HG2 LYS A 20 -11.214 1.514 -2.878 1.00 31.40 H new ATOM 0 HG3 LYS A 20 -10.287 2.635 -3.856 1.00 31.40 H new ATOM 0 HD2 LYS A 20 -10.724 0.602 -5.665 1.00 53.30 H new ATOM 0 HD3 LYS A 20 -12.181 0.504 -4.696 1.00 53.30 H new ATOM 0 HE2 LYS A 20 -11.333 3.249 -5.512 1.00 10.00 H new ATOM 0 HE3 LYS A 20 -11.882 2.199 -6.803 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 -13.702 3.463 -5.867 1.00 32.00 H new ATOM 0 HZ2 LYS A 20 -13.935 1.807 -5.573 1.00 32.00 H new ATOM 0 HZ3 LYS A 20 -13.402 2.824 -4.323 1.00 32.00 H new ATOM 176 N ALA A 21 -7.382 -1.520 -2.715 1.00 51.20 N ATOM 177 CA ALA A 21 -6.436 -2.575 -3.056 1.00 21.10 C ATOM 178 C ALA A 21 -6.790 -3.879 -2.349 1.00 45.20 C ATOM 179 O ALA A 21 -6.849 -4.939 -2.973 1.00 62.10 O ATOM 180 CB ALA A 21 -5.020 -2.148 -2.702 1.00 33.40 C ATOM 0 H ALA A 21 -6.970 -0.725 -2.227 1.00 51.20 H new ATOM 0 HA ALA A 21 -6.494 -2.748 -4.131 1.00 21.10 H new ATOM 0 HB1 ALA A 21 -4.324 -2.945 -2.962 1.00 33.40 H new ATOM 0 HB2 ALA A 21 -4.762 -1.246 -3.257 1.00 33.40 H new ATOM 0 HB3 ALA A 21 -4.957 -1.946 -1.633 1.00 33.40 H new ATOM 186 N ALA A 22 -7.024 -3.793 -1.044 1.00 31.10 N ATOM 187 CA ALA A 22 -7.372 -4.967 -0.252 1.00 64.40 C ATOM 188 C ALA A 22 -8.693 -5.571 -0.717 1.00 12.20 C ATOM 189 O ALA A 22 -8.883 -6.786 -0.667 1.00 43.10 O ATOM 190 CB ALA A 22 -7.446 -4.603 1.223 1.00 50.40 C ATOM 0 H ALA A 22 -6.979 -2.923 -0.513 1.00 31.10 H new ATOM 0 HA ALA A 22 -6.592 -5.715 -0.392 1.00 64.40 H new ATOM 0 HB1 ALA A 22 -7.707 -5.488 1.804 1.00 50.40 H new ATOM 0 HB2 ALA A 22 -6.479 -4.224 1.553 1.00 50.40 H new ATOM 0 HB3 ALA A 22 -8.206 -3.836 1.371 1.00 50.40 H new ATOM 196 N GLN A 23 -9.602 -4.714 -1.170 1.00 73.40 N ATOM 197 CA GLN A 23 -10.900 -5.163 -1.644 1.00 72.10 C ATOM 198 C GLN A 23 -10.820 -5.657 -3.085 1.00 2.13 C ATOM 199 O GLN A 23 -11.550 -6.558 -3.488 1.00 61.30 O ATOM 200 CB GLN A 23 -11.920 -4.030 -1.541 1.00 63.30 C ATOM 201 CG GLN A 23 -12.600 -3.943 -0.183 1.00 42.10 C ATOM 202 CD GLN A 23 -14.050 -3.521 -0.283 1.00 14.00 C ATOM 203 OE1 GLN A 23 -14.770 -3.921 -1.204 1.00 5.52 O ATOM 204 NE2 GLN A 23 -14.500 -2.708 0.667 1.00 21.00 N ATOM 0 H GLN A 23 -9.461 -3.705 -1.218 1.00 73.40 H new ATOM 0 HA GLN A 23 -11.218 -5.994 -1.014 1.00 72.10 H new ATOM 0 HB2 GLN A 23 -11.421 -3.083 -1.749 1.00 63.30 H new ATOM 0 HB3 GLN A 23 -12.680 -4.166 -2.310 1.00 63.30 H new ATOM 0 HG2 GLN A 23 -12.541 -4.913 0.311 1.00 42.10 H new ATOM 0 HG3 GLN A 23 -12.061 -3.232 0.444 1.00 42.10 H new ATOM 0 HE21 GLN A 23 -13.875 -2.399 1.412 1.00 21.00 H new ATOM 0 HE22 GLN A 23 -15.470 -2.393 0.651 1.00 21.00 H new ATOM 213 N GLU A 24 -9.918 -5.060 -3.856 1.00 32.40 N ATOM 214 CA GLU A 24 -9.736 -5.438 -5.253 1.00 11.40 C ATOM 215 C GLU A 24 -9.086 -6.814 -5.363 1.00 73.40 C ATOM 216 O GLU A 24 -9.532 -7.662 -6.135 1.00 20.30 O ATOM 217 CB GLU A 24 -8.880 -4.398 -5.978 1.00 34.00 C ATOM 218 CG GLU A 24 -9.649 -3.149 -6.376 1.00 71.20 C ATOM 219 CD GLU A 24 -10.530 -3.372 -7.587 1.00 43.30 C ATOM 220 OE1 GLU A 24 -11.640 -3.928 -7.419 1.00 34.00 O ATOM 221 OE2 GLU A 24 -10.120 -2.989 -8.702 1.00 51.40 O ATOM 0 H GLU A 24 -9.301 -4.312 -3.538 1.00 32.40 H new ATOM 0 HA GLU A 24 -10.719 -5.480 -5.723 1.00 11.40 H new ATOM 0 HB2 GLU A 24 -8.047 -4.113 -5.335 1.00 34.00 H new ATOM 0 HB3 GLU A 24 -8.452 -4.851 -6.872 1.00 34.00 H new ATOM 0 HG2 GLU A 24 -10.265 -2.823 -5.538 1.00 71.20 H new ATOM 0 HG3 GLU A 24 -8.945 -2.344 -6.586 1.00 71.20 H new ATOM 228 N ASP A 25 -8.029 -7.027 -4.586 1.00 63.00 N ATOM 229 CA ASP A 25 -7.317 -8.300 -4.596 1.00 24.40 C ATOM 230 C ASP A 25 -8.207 -9.425 -4.076 1.00 24.20 C ATOM 231 O ASP A 25 -8.288 -10.490 -4.680 1.00 11.10 O ATOM 232 CB ASP A 25 -6.048 -8.205 -3.748 1.00 54.30 C ATOM 233 CG ASP A 25 -5.128 -9.394 -3.950 1.00 21.10 C ATOM 234 OD1 ASP A 25 -5.503 -10.510 -3.536 1.00 20.10 O ATOM 235 OD2 ASP A 25 -4.033 -9.207 -4.520 1.00 13.30 O ATOM 0 H ASP A 25 -7.647 -6.335 -3.942 1.00 63.00 H new ATOM 0 HA ASP A 25 -7.041 -8.526 -5.626 1.00 24.40 H new ATOM 0 HB2 ASP A 25 -5.514 -7.289 -3.999 1.00 54.30 H new ATOM 0 HB3 ASP A 25 -6.322 -8.136 -2.695 1.00 54.30 H new ATOM 240 N LYS A 26 -8.872 -9.175 -2.953 1.00 63.40 N ATOM 241 CA LYS A 26 -9.756 -10.160 -2.352 1.00 41.30 C ATOM 242 C LYS A 26 -10.900 -10.510 -3.291 1.00 35.10 C ATOM 243 O LYS A 26 -11.400 -11.630 -3.296 1.00 51.40 O ATOM 244 CB LYS A 26 -10.300 -9.652 -1.020 1.00 22.30 C ATOM 245 CG LYS A 26 -10.470 -10.730 0.030 1.00 75.10 C ATOM 246 CD LYS A 26 -9.262 -10.810 0.946 1.00 1.04 C ATOM 247 CE LYS A 26 -9.669 -11.100 2.382 1.00 60.20 C ATOM 248 NZ LYS A 26 -10.710 -10.160 2.866 1.00 71.20 N ATOM 0 H LYS A 26 -8.813 -8.295 -2.441 1.00 63.40 H new ATOM 0 HA LYS A 26 -9.176 -11.064 -2.169 1.00 41.30 H new ATOM 0 HB2 LYS A 26 -9.628 -8.886 -0.633 1.00 22.30 H new ATOM 0 HB3 LYS A 26 -11.264 -9.173 -1.192 1.00 22.30 H new ATOM 0 HG2 LYS A 26 -11.363 -10.526 0.621 1.00 75.10 H new ATOM 0 HG3 LYS A 26 -10.623 -11.693 -0.457 1.00 75.10 H new ATOM 0 HD2 LYS A 26 -8.588 -11.590 0.593 1.00 1.04 H new ATOM 0 HD3 LYS A 26 -8.711 -9.870 0.906 1.00 1.04 H new ATOM 0 HE2 LYS A 26 -10.042 -12.122 2.454 1.00 60.20 H new ATOM 0 HE3 LYS A 26 -8.793 -11.034 3.027 1.00 60.20 H new ATOM 0 HZ1 LYS A 26 -10.587 -10.002 3.887 1.00 71.20 H new ATOM 0 HZ2 LYS A 26 -10.621 -9.255 2.362 1.00 71.20 H new ATOM 0 HZ3 LYS A 26 -11.652 -10.564 2.689 1.00 71.20 H new ATOM 262 N ALA A 27 -11.320 -9.530 -4.085 1.00 72.40 N ATOM 263 CA ALA A 27 -12.420 -9.728 -5.029 1.00 41.10 C ATOM 264 C ALA A 27 -11.950 -10.500 -6.256 1.00 31.00 C ATOM 265 O ALA A 27 -12.640 -11.410 -6.728 1.00 63.40 O ATOM 266 CB ALA A 27 -13.010 -8.387 -5.442 1.00 52.10 C ATOM 0 H ALA A 27 -10.918 -8.593 -4.095 1.00 72.40 H new ATOM 0 HA ALA A 27 -13.194 -10.314 -4.533 1.00 41.10 H new ATOM 0 HB1 ALA A 27 -13.827 -8.550 -6.144 1.00 52.10 H new ATOM 0 HB2 ALA A 27 -13.387 -7.868 -4.561 1.00 52.10 H new ATOM 0 HB3 ALA A 27 -12.239 -7.781 -5.917 1.00 52.10 H new ATOM 272 N GLY A 28 -10.780 -10.140 -6.768 1.00 3.40 N ATOM 273 CA GLY A 28 -10.240 -10.810 -7.936 1.00 52.20 C ATOM 274 C GLY A 28 -9.228 -9.965 -8.675 1.00 4.30 C ATOM 275 O GLY A 28 -8.311 -10.490 -9.304 1.00 21.20 O ATOM 0 H GLY A 28 -10.194 -9.394 -6.394 1.00 3.40 H new ATOM 0 HA2 GLY A 28 -9.772 -11.746 -7.630 1.00 52.20 H new ATOM 0 HA3 GLY A 28 -11.055 -11.068 -8.612 1.00 52.20 H new ATOM 279 N ASN A 29 -9.391 -8.648 -8.599 1.00 24.20 N ATOM 280 CA ASN A 29 -8.480 -7.726 -9.267 1.00 22.00 C ATOM 281 C ASN A 29 -7.138 -7.668 -8.544 1.00 41.00 C ATOM 282 O ASN A 29 -7.049 -7.176 -7.419 1.00 63.30 O ATOM 283 CB ASN A 29 -9.096 -6.328 -9.336 1.00 22.10 C ATOM 284 CG ASN A 29 -10.420 -6.315 -10.070 1.00 24.50 C ATOM 285 OD1 ASN A 29 -10.920 -7.360 -10.480 1.00 42.20 O ATOM 286 ND2 ASN A 29 -10.980 -5.128 -10.250 1.00 44.10 N ATOM 0 H ASN A 29 -10.145 -8.196 -8.082 1.00 24.20 H new ATOM 0 HA ASN A 29 -8.311 -8.091 -10.280 1.00 22.00 H new ATOM 0 HB2 ASN A 29 -9.241 -5.948 -8.325 1.00 22.10 H new ATOM 0 HB3 ASN A 29 -8.401 -5.652 -9.834 1.00 22.10 H new ATOM 0 HD21 ASN A 29 -11.867 -5.053 -10.749 1.00 44.10 H new ATOM 0 HD22 ASN A 29 -10.525 -4.289 -9.890 1.00 44.10 H new ATOM 293 N TYR A 30 -6.097 -8.173 -9.197 1.00 70.50 N ATOM 294 CA TYR A 30 -4.760 -8.179 -8.616 1.00 65.10 C ATOM 295 C TYR A 30 -3.898 -7.077 -9.224 1.00 72.50 C ATOM 296 O TYR A 30 -3.103 -6.443 -8.530 1.00 32.20 O ATOM 297 CB TYR A 30 -4.094 -9.540 -8.829 1.00 44.10 C ATOM 298 CG TYR A 30 -4.517 -10.580 -7.822 1.00 22.40 C ATOM 299 CD1 TYR A 30 -5.847 -10.710 -7.443 1.00 75.30 C ATOM 300 CD2 TYR A 30 -3.586 -11.440 -7.251 1.00 52.00 C ATOM 301 CE1 TYR A 30 -6.237 -11.670 -6.523 1.00 72.10 C ATOM 302 CE2 TYR A 30 -3.968 -12.400 -6.331 1.00 35.40 C ATOM 303 CZ TYR A 30 -5.295 -12.510 -5.970 1.00 41.20 C ATOM 304 OH TYR A 30 -5.679 -13.460 -5.054 1.00 12.10 O ATOM 0 H TYR A 30 -6.154 -8.583 -10.129 1.00 70.50 H new ATOM 0 HA TYR A 30 -4.855 -7.993 -7.546 1.00 65.10 H new ATOM 0 HB2 TYR A 30 -4.330 -9.898 -9.831 1.00 44.10 H new ATOM 0 HB3 TYR A 30 -3.012 -9.418 -8.781 1.00 44.10 H new ATOM 0 HD1 TYR A 30 -6.589 -10.053 -7.872 1.00 75.30 H new ATOM 0 HD2 TYR A 30 -2.546 -11.357 -7.531 1.00 52.00 H new ATOM 0 HE1 TYR A 30 -7.276 -11.760 -6.240 1.00 72.10 H new ATOM 0 HE2 TYR A 30 -3.231 -13.060 -5.898 1.00 35.40 H new ATOM 0 HH TYR A 30 -4.894 -13.969 -4.763 1.00 12.10 H new ATOM 314 N GLU A 31 -4.060 -6.856 -10.520 1.00 65.30 N ATOM 315 CA GLU A 31 -3.297 -5.831 -11.220 1.00 53.30 C ATOM 316 C GLU A 31 -3.567 -4.451 -10.630 1.00 11.30 C ATOM 317 O GLU A 31 -2.644 -3.752 -10.210 1.00 60.30 O ATOM 318 CB GLU A 31 -3.644 -5.838 -12.710 1.00 3.34 C ATOM 319 CG GLU A 31 -3.329 -7.154 -13.400 1.00 32.00 C ATOM 320 CD GLU A 31 -3.926 -7.238 -14.790 1.00 1.14 C ATOM 321 OE1 GLU A 31 -5.162 -7.380 -14.900 1.00 50.10 O ATOM 322 OE2 GLU A 31 -3.157 -7.162 -15.780 1.00 71.20 O ATOM 0 H GLU A 31 -4.713 -7.372 -11.109 1.00 65.30 H new ATOM 0 HA GLU A 31 -2.237 -6.056 -11.098 1.00 53.30 H new ATOM 0 HB2 GLU A 31 -4.705 -5.620 -12.829 1.00 3.34 H new ATOM 0 HB3 GLU A 31 -3.096 -5.037 -13.206 1.00 3.34 H new ATOM 0 HG2 GLU A 31 -2.248 -7.277 -13.464 1.00 32.00 H new ATOM 0 HG3 GLU A 31 -3.708 -7.978 -12.795 1.00 32.00 H new ATOM 329 N GLU A 32 -4.839 -4.065 -10.600 1.00 12.30 N ATOM 330 CA GLU A 32 -5.231 -2.769 -10.060 1.00 55.30 C ATOM 331 C GLU A 32 -4.890 -2.672 -8.581 1.00 34.40 C ATOM 332 O GLU A 32 -4.549 -1.600 -8.081 1.00 30.40 O ATOM 333 CB GLU A 32 -6.729 -2.539 -10.270 1.00 23.30 C ATOM 334 CG GLU A 32 -7.121 -1.070 -10.290 1.00 51.10 C ATOM 335 CD GLU A 32 -7.328 -0.549 -11.700 1.00 22.20 C ATOM 336 OE1 GLU A 32 -8.031 -1.220 -12.490 1.00 33.10 O ATOM 337 OE2 GLU A 32 -6.786 0.531 -12.020 1.00 62.20 O ATOM 0 H GLU A 32 -5.615 -4.631 -10.943 1.00 12.30 H new ATOM 0 HA GLU A 32 -4.675 -1.997 -10.592 1.00 55.30 H new ATOM 0 HB2 GLU A 32 -7.031 -3.000 -11.210 1.00 23.30 H new ATOM 0 HB3 GLU A 32 -7.281 -3.043 -9.476 1.00 23.30 H new ATOM 0 HG2 GLU A 32 -8.037 -0.933 -9.716 1.00 51.10 H new ATOM 0 HG3 GLU A 32 -6.346 -0.483 -9.798 1.00 51.10 H new ATOM 344 N ALA A 33 -4.984 -3.798 -7.882 1.00 42.10 N ATOM 345 CA ALA A 33 -4.686 -3.840 -6.456 1.00 25.00 C ATOM 346 C ALA A 33 -3.195 -3.648 -6.201 1.00 4.23 C ATOM 347 O ALA A 33 -2.798 -3.019 -5.220 1.00 31.20 O ATOM 348 CB ALA A 33 -5.161 -5.155 -5.856 1.00 40.20 C ATOM 0 H ALA A 33 -5.264 -4.694 -8.281 1.00 42.10 H new ATOM 0 HA ALA A 33 -5.219 -3.020 -5.974 1.00 25.00 H new ATOM 0 HB1 ALA A 33 -4.932 -5.173 -4.790 1.00 40.20 H new ATOM 0 HB2 ALA A 33 -6.237 -5.252 -5.997 1.00 40.20 H new ATOM 0 HB3 ALA A 33 -4.654 -5.984 -6.350 1.00 40.20 H new ATOM 354 N LEU A 34 -2.373 -4.195 -7.091 1.00 4.44 N ATOM 355 CA LEU A 34 -0.924 -4.084 -6.963 1.00 54.10 C ATOM 356 C LEU A 34 -0.487 -2.623 -6.982 1.00 12.20 C ATOM 357 O LEU A 34 0.233 -2.168 -6.093 1.00 24.40 O ATOM 358 CB LEU A 34 -0.231 -4.850 -8.092 1.00 62.00 C ATOM 359 CG LEU A 34 1.291 -4.937 -7.976 1.00 54.20 C ATOM 360 CD1 LEU A 34 1.688 -5.817 -6.801 1.00 74.30 C ATOM 361 CD2 LEU A 34 1.894 -5.465 -9.269 1.00 74.40 C ATOM 0 H LEU A 34 -2.685 -4.719 -7.908 1.00 4.44 H new ATOM 0 HA LEU A 34 -0.634 -4.519 -6.007 1.00 54.10 H new ATOM 0 HB2 LEU A 34 -0.636 -5.861 -8.126 1.00 62.00 H new ATOM 0 HB3 LEU A 34 -0.481 -4.374 -9.040 1.00 62.00 H new ATOM 0 HG LEU A 34 1.681 -3.935 -7.799 1.00 54.20 H new ATOM 0 HD11 LEU A 34 2.775 -5.867 -6.735 1.00 74.30 H new ATOM 0 HD12 LEU A 34 1.287 -5.396 -5.879 1.00 74.30 H new ATOM 0 HD13 LEU A 34 1.287 -6.820 -6.946 1.00 74.30 H new ATOM 0 HD21 LEU A 34 2.978 -5.520 -9.169 1.00 74.40 H new ATOM 0 HD22 LEU A 34 1.497 -6.459 -9.476 1.00 74.40 H new ATOM 0 HD23 LEU A 34 1.639 -4.794 -10.090 1.00 74.40 H new ATOM 373 N GLN A 35 -0.926 -1.892 -8.002 1.00 34.40 N ATOM 374 CA GLN A 35 -0.580 -0.482 -8.136 1.00 34.40 C ATOM 375 C GLN A 35 -1.135 0.329 -6.970 1.00 72.20 C ATOM 376 O GLN A 35 -0.543 1.326 -6.556 1.00 13.20 O ATOM 377 CB GLN A 35 -1.115 0.072 -9.458 1.00 53.30 C ATOM 378 CG GLN A 35 -2.627 -0.014 -9.586 1.00 24.50 C ATOM 379 CD GLN A 35 -3.169 0.863 -10.690 1.00 14.50 C ATOM 380 OE1 GLN A 35 -3.864 0.388 -11.590 1.00 0.32 O ATOM 381 NE2 GLN A 35 -2.852 2.152 -10.640 1.00 52.20 N ATOM 0 H GLN A 35 -1.522 -2.253 -8.747 1.00 34.40 H new ATOM 0 HA GLN A 35 0.507 -0.398 -8.127 1.00 34.40 H new ATOM 0 HB2 GLN A 35 -0.809 1.114 -9.556 1.00 53.30 H new ATOM 0 HB3 GLN A 35 -0.657 -0.474 -10.283 1.00 53.30 H new ATOM 0 HG2 GLN A 35 -2.913 -1.048 -9.776 1.00 24.50 H new ATOM 0 HG3 GLN A 35 -3.085 0.275 -8.640 1.00 24.50 H new ATOM 0 HE21 GLN A 35 -2.274 2.506 -9.878 1.00 52.20 H new ATOM 0 HE22 GLN A 35 -3.187 2.788 -11.364 1.00 52.20 H new ATOM 390 N LEU A 36 -2.275 -0.106 -6.443 1.00 74.30 N ATOM 391 CA LEU A 36 -2.911 0.579 -5.324 1.00 30.50 C ATOM 392 C LEU A 36 -2.160 0.309 -4.024 1.00 2.50 C ATOM 393 O LEU A 36 -2.015 1.196 -3.183 1.00 43.40 O ATOM 394 CB LEU A 36 -4.368 0.134 -5.187 1.00 24.30 C ATOM 395 CG LEU A 36 -5.285 0.557 -6.336 1.00 62.50 C ATOM 396 CD1 LEU A 36 -6.487 -0.370 -6.428 1.00 11.40 C ATOM 397 CD2 LEU A 36 -5.733 1.999 -6.154 1.00 31.20 C ATOM 0 H LEU A 36 -2.777 -0.930 -6.773 1.00 74.30 H new ATOM 0 HA LEU A 36 -2.884 1.650 -5.523 1.00 30.50 H new ATOM 0 HB2 LEU A 36 -4.394 -0.952 -5.103 1.00 24.30 H new ATOM 0 HB3 LEU A 36 -4.769 0.535 -4.256 1.00 24.30 H new ATOM 0 HG LEU A 36 -4.726 0.486 -7.269 1.00 62.50 H new ATOM 0 HD11 LEU A 36 -7.128 -0.054 -7.251 1.00 11.40 H new ATOM 0 HD12 LEU A 36 -6.147 -1.390 -6.604 1.00 11.40 H new ATOM 0 HD13 LEU A 36 -7.049 -0.331 -5.495 1.00 11.40 H new ATOM 0 HD21 LEU A 36 -6.385 2.285 -6.980 1.00 31.20 H new ATOM 0 HD22 LEU A 36 -6.275 2.096 -5.214 1.00 31.20 H new ATOM 0 HD23 LEU A 36 -4.860 2.652 -6.138 1.00 31.20 H new ATOM 409 N TYR A 37 -1.685 -0.922 -3.865 1.00 12.20 N ATOM 410 CA TYR A 37 -0.949 -1.309 -2.667 1.00 54.10 C ATOM 411 C TYR A 37 0.308 -0.462 -2.504 1.00 24.50 C ATOM 412 O TYR A 37 0.614 0.009 -1.408 1.00 2.12 O ATOM 413 CB TYR A 37 -0.575 -2.791 -2.730 1.00 54.20 C ATOM 414 CG TYR A 37 -1.740 -3.722 -2.481 1.00 72.20 C ATOM 415 CD1 TYR A 37 -2.608 -3.510 -1.416 1.00 5.15 C ATOM 416 CD2 TYR A 37 -1.973 -4.812 -3.309 1.00 4.31 C ATOM 417 CE1 TYR A 37 -3.674 -4.359 -1.185 1.00 22.20 C ATOM 418 CE2 TYR A 37 -3.037 -5.665 -3.085 1.00 24.50 C ATOM 419 CZ TYR A 37 -3.884 -5.434 -2.022 1.00 51.10 C ATOM 420 OH TYR A 37 -4.945 -6.281 -1.795 1.00 72.30 O ATOM 0 H TYR A 37 -1.797 -1.669 -4.551 1.00 12.20 H new ATOM 0 HA TYR A 37 -1.593 -1.140 -1.804 1.00 54.10 H new ATOM 0 HB2 TYR A 37 -0.151 -3.008 -3.710 1.00 54.20 H new ATOM 0 HB3 TYR A 37 0.203 -2.992 -1.994 1.00 54.20 H new ATOM 0 HD1 TYR A 37 -2.447 -2.668 -0.759 1.00 5.15 H new ATOM 0 HD2 TYR A 37 -1.311 -4.996 -4.142 1.00 4.31 H new ATOM 0 HE1 TYR A 37 -4.339 -4.181 -0.353 1.00 22.20 H new ATOM 0 HE2 TYR A 37 -3.204 -6.508 -3.739 1.00 24.50 H new ATOM 0 HH TYR A 37 -5.686 -6.044 -2.391 1.00 72.30 H new ATOM 430 N GLN A 38 1.034 -0.272 -3.601 1.00 71.20 N ATOM 431 CA GLN A 38 2.259 0.519 -3.579 1.00 5.43 C ATOM 432 C GLN A 38 1.955 1.986 -3.291 1.00 65.40 C ATOM 433 O GLN A 38 2.714 2.663 -2.598 1.00 41.20 O ATOM 434 CB GLN A 38 2.997 0.392 -4.913 1.00 42.40 C ATOM 435 CG GLN A 38 3.483 -1.018 -5.207 1.00 60.00 C ATOM 436 CD GLN A 38 3.598 -1.296 -6.693 1.00 0.52 C ATOM 437 OE1 GLN A 38 3.819 -0.386 -7.492 1.00 51.50 O ATOM 438 NE2 GLN A 38 3.449 -2.560 -7.072 1.00 50.40 N ATOM 0 H GLN A 38 0.795 -0.655 -4.516 1.00 71.20 H new ATOM 0 HA GLN A 38 2.895 0.135 -2.781 1.00 5.43 H new ATOM 0 HB2 GLN A 38 2.335 0.714 -5.717 1.00 42.40 H new ATOM 0 HB3 GLN A 38 3.851 1.069 -4.912 1.00 42.40 H new ATOM 0 HG2 GLN A 38 4.454 -1.169 -4.736 1.00 60.00 H new ATOM 0 HG3 GLN A 38 2.796 -1.736 -4.759 1.00 60.00 H new ATOM 0 HE21 GLN A 38 3.267 -3.283 -6.376 1.00 50.40 H new ATOM 0 HE22 GLN A 38 3.517 -2.808 -8.059 1.00 50.40 H new ATOM 447 N HIS A 39 0.840 2.470 -3.828 1.00 10.30 N ATOM 448 CA HIS A 39 0.435 3.857 -3.628 1.00 42.40 C ATOM 449 C HIS A 39 0.179 4.142 -2.152 1.00 71.10 C ATOM 450 O HIS A 39 0.607 5.169 -1.625 1.00 20.10 O ATOM 451 CB HIS A 39 -0.821 4.166 -4.445 1.00 1.22 C ATOM 452 CG HIS A 39 -0.529 4.680 -5.820 1.00 35.20 C ATOM 453 ND1 HIS A 39 -1.492 5.234 -6.637 1.00 55.20 N ATOM 454 CD2 HIS A 39 0.628 4.724 -6.523 1.00 33.40 C ATOM 455 CE1 HIS A 39 -0.941 5.594 -7.783 1.00 51.40 C ATOM 456 NE2 HIS A 39 0.344 5.296 -7.738 1.00 51.10 N ATOM 0 H HIS A 39 0.201 1.923 -4.405 1.00 10.30 H new ATOM 0 HA HIS A 39 1.248 4.499 -3.967 1.00 42.40 H new ATOM 0 HB2 HIS A 39 -1.424 3.262 -4.525 1.00 1.22 H new ATOM 0 HB3 HIS A 39 -1.420 4.903 -3.910 1.00 1.22 H new ATOM 0 HD2 HIS A 39 1.594 4.374 -6.190 1.00 33.40 H new ATOM 0 HE1 HIS A 39 -1.455 6.054 -8.614 1.00 51.40 H new ATOM 0 HE2 HIS A 39 1.017 5.464 -8.486 1.00 51.10 H new ATOM 465 N ALA A 40 -0.521 3.226 -1.490 1.00 60.30 N ATOM 466 CA ALA A 40 -0.835 3.379 -0.075 1.00 71.40 C ATOM 467 C ALA A 40 0.435 3.516 0.758 1.00 22.20 C ATOM 468 O ALA A 40 0.530 4.385 1.625 1.00 32.10 O ATOM 469 CB ALA A 40 -1.662 2.199 0.412 1.00 24.00 C ATOM 0 H ALA A 40 -0.881 2.370 -1.912 1.00 60.30 H new ATOM 0 HA ALA A 40 -1.418 4.292 0.046 1.00 71.40 H new ATOM 0 HB1 ALA A 40 -1.889 2.326 1.470 1.00 24.00 H new ATOM 0 HB2 ALA A 40 -2.591 2.147 -0.155 1.00 24.00 H new ATOM 0 HB3 ALA A 40 -1.099 1.277 0.270 1.00 24.00 H new ATOM 475 N VAL A 41 1.409 2.652 0.490 1.00 13.50 N ATOM 476 CA VAL A 41 2.674 2.678 1.215 1.00 54.30 C ATOM 477 C VAL A 41 3.416 3.988 0.976 1.00 4.01 C ATOM 478 O VAL A 41 4.006 4.556 1.895 1.00 30.40 O ATOM 479 CB VAL A 41 3.582 1.502 0.803 1.00 72.30 C ATOM 480 CG1 VAL A 41 4.828 1.457 1.675 1.00 5.34 C ATOM 481 CG2 VAL A 41 2.822 0.186 0.879 1.00 10.00 C ATOM 0 H VAL A 41 1.346 1.926 -0.223 1.00 13.50 H new ATOM 0 HA VAL A 41 2.435 2.587 2.275 1.00 54.30 H new ATOM 0 HB VAL A 41 3.895 1.655 -0.230 1.00 72.30 H new ATOM 0 HG11 VAL A 41 5.456 0.620 1.369 1.00 5.34 H new ATOM 0 HG12 VAL A 41 5.384 2.388 1.564 1.00 5.34 H new ATOM 0 HG13 VAL A 41 4.538 1.330 2.718 1.00 5.34 H new ATOM 0 HG21 VAL A 41 3.480 -0.632 0.584 1.00 10.00 H new ATOM 0 HG22 VAL A 41 2.476 0.024 1.900 1.00 10.00 H new ATOM 0 HG23 VAL A 41 1.965 0.222 0.207 1.00 10.00 H new ATOM 491 N GLN A 42 3.383 4.464 -0.265 1.00 32.00 N ATOM 492 CA GLN A 42 4.053 5.708 -0.625 1.00 75.20 C ATOM 493 C GLN A 42 3.499 6.878 0.182 1.00 11.10 C ATOM 494 O GLN A 42 4.254 7.689 0.717 1.00 42.20 O ATOM 495 CB GLN A 42 3.892 5.984 -2.121 1.00 24.10 C ATOM 496 CG GLN A 42 4.980 5.354 -2.976 1.00 5.30 C ATOM 497 CD GLN A 42 6.264 6.161 -2.972 1.00 61.20 C ATOM 498 OE1 GLN A 42 6.953 6.247 -1.955 1.00 51.50 O ATOM 499 NE2 GLN A 42 6.592 6.757 -4.112 1.00 20.50 N ATOM 0 H GLN A 42 2.899 4.007 -1.038 1.00 32.00 H new ATOM 0 HA GLN A 42 5.113 5.600 -0.394 1.00 75.20 H new ATOM 0 HB2 GLN A 42 2.922 5.610 -2.449 1.00 24.10 H new ATOM 0 HB3 GLN A 42 3.891 7.062 -2.285 1.00 24.10 H new ATOM 0 HG2 GLN A 42 5.186 4.348 -2.612 1.00 5.30 H new ATOM 0 HG3 GLN A 42 4.621 5.255 -4.000 1.00 5.30 H new ATOM 0 HE21 GLN A 42 5.991 6.658 -4.930 1.00 20.50 H new ATOM 0 HE22 GLN A 42 7.445 7.313 -4.170 1.00 20.50 H new ATOM 508 N TYR A 43 2.175 6.959 0.264 1.00 63.40 N ATOM 509 CA TYR A 43 1.519 8.030 1.006 1.00 12.20 C ATOM 510 C TYR A 43 1.692 7.837 2.509 1.00 1.15 C ATOM 511 O TYR A 43 1.744 8.805 3.267 1.00 22.20 O ATOM 512 CB TYR A 43 0.031 8.085 0.655 1.00 51.50 C ATOM 513 CG TYR A 43 -0.237 8.406 -0.798 1.00 74.10 C ATOM 514 CD1 TYR A 43 0.134 9.631 -1.338 1.00 3.31 C ATOM 515 CD2 TYR A 43 -0.862 7.484 -1.629 1.00 75.30 C ATOM 516 CE1 TYR A 43 -0.111 9.928 -2.666 1.00 31.20 C ATOM 517 CE2 TYR A 43 -1.109 7.774 -2.957 1.00 61.20 C ATOM 518 CZ TYR A 43 -0.731 8.997 -3.471 1.00 40.10 C ATOM 519 OH TYR A 43 -0.976 9.289 -4.793 1.00 31.10 O ATOM 0 H TYR A 43 1.535 6.296 -0.174 1.00 63.40 H new ATOM 0 HA TYR A 43 1.987 8.973 0.723 1.00 12.20 H new ATOM 0 HB2 TYR A 43 -0.426 7.126 0.897 1.00 51.50 H new ATOM 0 HB3 TYR A 43 -0.454 8.836 1.280 1.00 51.50 H new ATOM 0 HD1 TYR A 43 0.621 10.363 -0.711 1.00 3.31 H new ATOM 0 HD2 TYR A 43 -1.159 6.525 -1.230 1.00 75.30 H new ATOM 0 HE1 TYR A 43 0.182 10.885 -3.071 1.00 31.20 H new ATOM 0 HE2 TYR A 43 -1.596 7.047 -3.590 1.00 61.20 H new ATOM 0 HH TYR A 43 -1.418 8.526 -5.220 1.00 31.10 H new ATOM 529 N PHE A 44 1.781 6.580 2.934 1.00 21.30 N ATOM 530 CA PHE A 44 1.948 6.261 4.347 1.00 74.10 C ATOM 531 C PHE A 44 3.346 6.635 4.827 1.00 52.40 C ATOM 532 O PHE A 44 3.505 7.313 5.842 1.00 3.41 O ATOM 533 CB PHE A 44 1.694 4.772 4.588 1.00 50.20 C ATOM 534 CG PHE A 44 0.239 4.424 4.716 1.00 72.20 C ATOM 535 CD1 PHE A 44 -0.598 5.177 5.524 1.00 34.20 C ATOM 536 CD2 PHE A 44 -0.292 3.344 4.029 1.00 34.50 C ATOM 537 CE1 PHE A 44 -1.938 4.860 5.644 1.00 42.00 C ATOM 538 CE2 PHE A 44 -1.631 3.022 4.145 1.00 62.30 C ATOM 539 CZ PHE A 44 -2.455 3.781 4.953 1.00 35.00 C ATOM 0 H PHE A 44 1.740 5.767 2.320 1.00 21.30 H new ATOM 0 HA PHE A 44 1.221 6.843 4.914 1.00 74.10 H new ATOM 0 HB2 PHE A 44 2.125 4.201 3.766 1.00 50.20 H new ATOM 0 HB3 PHE A 44 2.214 4.465 5.496 1.00 50.20 H new ATOM 0 HD1 PHE A 44 -0.199 6.021 6.066 1.00 34.20 H new ATOM 0 HD2 PHE A 44 0.348 2.747 3.396 1.00 34.50 H new ATOM 0 HE1 PHE A 44 -2.580 5.455 6.277 1.00 42.00 H new ATOM 0 HE2 PHE A 44 -2.033 2.178 3.604 1.00 62.30 H new ATOM 0 HZ PHE A 44 -3.502 3.531 5.044 1.00 35.00 H new ATOM 549 N LEU A 45 4.358 6.188 4.090 1.00 50.00 N ATOM 550 CA LEU A 45 5.744 6.475 4.439 1.00 25.30 C ATOM 551 C LEU A 45 6.001 7.978 4.453 1.00 52.20 C ATOM 552 O LEU A 45 6.831 8.469 5.218 1.00 73.00 O ATOM 553 CB LEU A 45 6.691 5.791 3.450 1.00 63.20 C ATOM 554 CG LEU A 45 7.100 4.364 3.822 1.00 53.50 C ATOM 555 CD1 LEU A 45 5.875 3.522 4.146 1.00 24.30 C ATOM 556 CD2 LEU A 45 7.899 3.730 2.693 1.00 52.50 C ATOM 0 H LEU A 45 4.244 5.625 3.247 1.00 50.00 H new ATOM 0 HA LEU A 45 5.931 6.085 5.439 1.00 25.30 H new ATOM 0 HB2 LEU A 45 6.215 5.772 2.470 1.00 63.20 H new ATOM 0 HB3 LEU A 45 7.592 6.397 3.355 1.00 63.20 H new ATOM 0 HG LEU A 45 7.730 4.407 4.711 1.00 53.50 H new ATOM 0 HD11 LEU A 45 6.187 2.511 4.408 1.00 24.30 H new ATOM 0 HD12 LEU A 45 5.340 3.966 4.986 1.00 24.30 H new ATOM 0 HD13 LEU A 45 5.219 3.485 3.277 1.00 24.30 H new ATOM 0 HD21 LEU A 45 8.182 2.715 2.973 1.00 52.50 H new ATOM 0 HD22 LEU A 45 7.291 3.700 1.789 1.00 52.50 H new ATOM 0 HD23 LEU A 45 8.797 4.319 2.507 1.00 52.50 H new ATOM 568 N HIS A 46 5.285 8.704 3.601 1.00 42.20 N ATOM 569 CA HIS A 46 5.435 10.152 3.516 1.00 13.40 C ATOM 570 C HIS A 46 4.924 10.828 4.784 1.00 65.40 C ATOM 571 O HIS A 46 5.532 11.776 5.282 1.00 71.10 O ATOM 572 CB HIS A 46 4.684 10.693 2.298 1.00 70.50 C ATOM 573 CG HIS A 46 4.843 12.169 2.103 1.00 21.50 C ATOM 574 ND1 HIS A 46 4.091 13.207 2.542 1.00 21.40 N flip ATOM 575 CD2 HIS A 46 5.876 12.726 1.380 1.00 52.20 C flip ATOM 576 CE1 HIS A 46 4.679 14.358 2.080 1.00 51.10 C flip ATOM 577 NE2 HIS A 46 5.754 14.042 1.383 1.00 34.20 N flip ATOM 0 H HIS A 46 4.595 8.313 2.959 1.00 42.20 H new ATOM 0 HA HIS A 46 6.496 10.376 3.409 1.00 13.40 H new ATOM 0 HB2 HIS A 46 5.037 10.177 1.405 1.00 70.50 H new ATOM 0 HB3 HIS A 46 3.624 10.461 2.402 1.00 70.50 H new ATOM 0 HD2 HIS A 46 6.662 12.173 0.888 1.00 52.20 H new ATOM 0 HE1 HIS A 46 4.320 15.361 2.258 1.00 51.10 H new ATOM 0 HE2 HIS A 46 6.383 14.701 0.925 1.00 34.20 H new ATOM 586 N VAL A 47 3.805 10.333 5.302 1.00 41.20 N ATOM 587 CA VAL A 47 3.212 10.889 6.512 1.00 44.30 C ATOM 588 C VAL A 47 3.985 10.451 7.752 1.00 25.00 C ATOM 589 O VAL A 47 4.245 11.253 8.649 1.00 73.20 O ATOM 590 CB VAL A 47 1.738 10.466 6.663 1.00 50.50 C ATOM 591 CG1 VAL A 47 1.094 11.179 7.842 1.00 33.30 C ATOM 592 CG2 VAL A 47 0.968 10.740 5.380 1.00 11.10 C ATOM 0 H VAL A 47 3.291 9.548 4.903 1.00 41.20 H new ATOM 0 HA VAL A 47 3.262 11.974 6.419 1.00 44.30 H new ATOM 0 HB VAL A 47 1.707 9.394 6.856 1.00 50.50 H new ATOM 0 HG11 VAL A 47 0.054 10.867 7.932 1.00 33.30 H new ATOM 0 HG12 VAL A 47 1.629 10.925 8.757 1.00 33.30 H new ATOM 0 HG13 VAL A 47 1.137 12.257 7.683 1.00 33.30 H new ATOM 0 HG21 VAL A 47 -0.071 10.435 5.507 1.00 11.10 H new ATOM 0 HG22 VAL A 47 1.008 11.805 5.152 1.00 11.10 H new ATOM 0 HG23 VAL A 47 1.414 10.177 4.560 1.00 11.10 H new ATOM 602 N VAL A 48 4.350 9.174 7.795 1.00 5.30 N ATOM 603 CA VAL A 48 5.094 8.630 8.925 1.00 11.50 C ATOM 604 C VAL A 48 6.457 9.301 9.059 1.00 70.10 C ATOM 605 O VAL A 48 6.943 9.525 10.167 1.00 63.30 O ATOM 606 CB VAL A 48 5.294 7.108 8.786 1.00 2.10 C ATOM 607 CG1 VAL A 48 5.934 6.535 10.041 1.00 32.10 C ATOM 608 CG2 VAL A 48 3.970 6.418 8.492 1.00 51.30 C ATOM 0 H VAL A 48 4.143 8.497 7.061 1.00 5.30 H new ATOM 0 HA VAL A 48 4.504 8.831 9.819 1.00 11.50 H new ATOM 0 HB VAL A 48 5.966 6.925 7.948 1.00 2.10 H new ATOM 0 HG11 VAL A 48 6.067 5.460 9.923 1.00 32.10 H new ATOM 0 HG12 VAL A 48 6.904 7.005 10.202 1.00 32.10 H new ATOM 0 HG13 VAL A 48 5.290 6.729 10.899 1.00 32.10 H new ATOM 0 HG21 VAL A 48 4.132 5.344 8.397 1.00 51.30 H new ATOM 0 HG22 VAL A 48 3.271 6.609 9.307 1.00 51.30 H new ATOM 0 HG23 VAL A 48 3.556 6.806 7.561 1.00 51.30 H new ATOM 618 N LYS A 49 7.068 9.620 7.922 1.00 52.30 N ATOM 619 CA LYS A 49 8.375 10.265 7.913 1.00 51.30 C ATOM 620 C LYS A 49 8.250 11.752 8.228 1.00 71.00 C ATOM 621 O LYS A 49 9.013 12.294 9.028 1.00 62.00 O ATOM 622 CB LYS A 49 9.052 10.076 6.554 1.00 75.20 C ATOM 623 CG LYS A 49 10.441 10.688 6.475 1.00 43.40 C ATOM 624 CD LYS A 49 10.725 11.248 5.091 1.00 73.10 C ATOM 625 CE LYS A 49 11.511 12.547 5.166 1.00 51.10 C ATOM 626 NZ LYS A 49 10.628 13.739 5.038 1.00 44.20 N ATOM 0 H LYS A 49 6.679 9.442 6.996 1.00 52.30 H new ATOM 0 HA LYS A 49 8.987 9.798 8.684 1.00 51.30 H new ATOM 0 HB2 LYS A 49 9.121 9.010 6.337 1.00 75.20 H new ATOM 0 HB3 LYS A 49 8.425 10.519 5.780 1.00 75.20 H new ATOM 0 HG2 LYS A 49 10.532 11.482 7.216 1.00 43.40 H new ATOM 0 HG3 LYS A 49 11.187 9.933 6.723 1.00 43.40 H new ATOM 0 HD2 LYS A 49 11.285 10.516 4.509 1.00 73.10 H new ATOM 0 HD3 LYS A 49 9.785 11.420 4.567 1.00 73.10 H new ATOM 0 HE2 LYS A 49 12.047 12.593 6.114 1.00 51.10 H new ATOM 0 HE3 LYS A 49 12.261 12.564 4.375 1.00 51.10 H new ATOM 0 HZ1 LYS A 49 11.147 14.506 4.565 1.00 44.20 H new ATOM 0 HZ2 LYS A 49 9.789 13.491 4.476 1.00 44.20 H new ATOM 0 HZ3 LYS A 49 10.330 14.054 5.983 1.00 44.20 H new ATOM 640 N TYR A 50 7.283 12.407 7.594 1.00 13.30 N ATOM 641 CA TYR A 50 7.057 13.832 7.807 1.00 34.40 C ATOM 642 C TYR A 50 6.553 14.098 9.222 1.00 2.43 C ATOM 643 O TYR A 50 7.287 14.610 10.067 1.00 4.12 O ATOM 644 CB TYR A 50 6.053 14.369 6.786 1.00 64.30 C ATOM 645 CG TYR A 50 6.684 14.786 5.477 1.00 32.20 C ATOM 646 CD1 TYR A 50 7.405 13.879 4.711 1.00 42.10 C ATOM 647 CD2 TYR A 50 6.558 16.088 5.008 1.00 14.30 C ATOM 648 CE1 TYR A 50 7.983 14.257 3.514 1.00 71.30 C ATOM 649 CE2 TYR A 50 7.133 16.473 3.811 1.00 12.10 C ATOM 650 CZ TYR A 50 7.844 15.555 3.069 1.00 15.40 C ATOM 651 OH TYR A 50 8.418 15.935 1.878 1.00 23.30 O ATOM 0 H TYR A 50 6.643 11.974 6.928 1.00 13.30 H new ATOM 0 HA TYR A 50 8.008 14.348 7.677 1.00 34.40 H new ATOM 0 HB2 TYR A 50 5.302 13.603 6.590 1.00 64.30 H new ATOM 0 HB3 TYR A 50 5.532 15.224 7.217 1.00 64.30 H new ATOM 0 HD1 TYR A 50 7.516 12.862 5.056 1.00 42.10 H new ATOM 0 HD2 TYR A 50 6.002 16.810 5.587 1.00 14.30 H new ATOM 0 HE1 TYR A 50 8.541 13.540 2.930 1.00 71.30 H new ATOM 0 HE2 TYR A 50 7.025 17.488 3.459 1.00 12.10 H new ATOM 0 HH TYR A 50 8.225 16.881 1.709 1.00 23.30 H new ATOM 661 N GLU A 51 5.296 13.746 9.473 1.00 22.20 N ATOM 662 CA GLU A 51 4.694 13.947 10.786 1.00 2.11 C ATOM 663 C GLU A 51 3.416 13.127 10.929 1.00 64.20 C ATOM 664 O GLU A 51 2.337 13.565 10.529 1.00 62.50 O ATOM 665 CB GLU A 51 4.390 15.430 11.009 1.00 25.30 C ATOM 666 CG GLU A 51 3.728 16.102 9.818 1.00 10.40 C ATOM 667 CD GLU A 51 2.648 17.083 10.228 1.00 33.50 C ATOM 668 OE1 GLU A 51 1.883 16.767 11.163 1.00 14.10 O ATOM 669 OE2 GLU A 51 2.567 18.168 9.613 1.00 63.20 O ATOM 0 H GLU A 51 4.675 13.320 8.785 1.00 22.20 H new ATOM 0 HA GLU A 51 5.406 13.612 11.540 1.00 2.11 H new ATOM 0 HB2 GLU A 51 3.742 15.532 11.880 1.00 25.30 H new ATOM 0 HB3 GLU A 51 5.319 15.952 11.240 1.00 25.30 H new ATOM 0 HG2 GLU A 51 4.485 16.624 9.233 1.00 10.40 H new ATOM 0 HG3 GLU A 51 3.295 15.340 9.170 1.00 10.40 H new ATOM 676 N ALA A 52 3.545 11.935 11.502 1.00 42.20 N ATOM 677 CA ALA A 52 2.400 11.054 11.699 1.00 41.40 C ATOM 678 C ALA A 52 1.374 11.687 12.632 1.00 45.00 C ATOM 679 O ALA A 52 1.530 12.832 13.058 1.00 31.00 O ATOM 680 CB ALA A 52 2.857 9.711 12.247 1.00 14.10 C ATOM 0 H ALA A 52 4.431 11.557 11.838 1.00 42.20 H new ATOM 0 HA ALA A 52 1.923 10.896 10.732 1.00 41.40 H new ATOM 0 HB1 ALA A 52 1.992 9.063 12.389 1.00 14.10 H new ATOM 0 HB2 ALA A 52 3.547 9.246 11.542 1.00 14.10 H new ATOM 0 HB3 ALA A 52 3.360 9.860 13.202 1.00 14.10 H new ATOM 686 N GLN A 53 0.325 10.935 12.947 1.00 44.50 N ATOM 687 CA GLN A 53 -0.728 11.423 13.831 1.00 42.40 C ATOM 688 C GLN A 53 -0.329 11.260 15.294 1.00 42.30 C ATOM 689 O GLN A 53 -0.429 12.199 16.084 1.00 3.51 O ATOM 690 CB GLN A 53 -2.036 10.677 13.561 1.00 14.40 C ATOM 691 CG GLN A 53 -2.374 10.557 12.084 1.00 32.10 C ATOM 692 CD GLN A 53 -2.670 11.899 11.443 1.00 11.00 C ATOM 693 OE1 GLN A 53 -2.021 12.172 10.317 1.00 11.20 O flip ATOM 694 NE2 GLN A 53 -3.473 12.680 11.953 1.00 43.20 N flip ATOM 0 H GLN A 53 0.181 9.985 12.604 1.00 44.50 H new ATOM 0 HA GLN A 53 -0.875 12.484 13.629 1.00 42.40 H new ATOM 0 HB2 GLN A 53 -1.971 9.678 13.993 1.00 14.40 H new ATOM 0 HB3 GLN A 53 -2.850 11.192 14.071 1.00 14.40 H new ATOM 0 HG2 GLN A 53 -1.542 10.085 11.562 1.00 32.10 H new ATOM 0 HG3 GLN A 53 -3.238 9.903 11.965 1.00 32.10 H new ATOM 0 HE21 GLN A 53 -3.949 12.429 12.819 1.00 43.20 H new ATOM 0 HE22 GLN A 53 -3.662 13.579 11.509 1.00 43.20 H new ATOM 703 N GLY A 54 0.124 10.061 15.649 1.00 11.40 N ATOM 704 CA GLY A 54 0.531 9.797 17.016 1.00 10.50 C ATOM 705 C GLY A 54 1.324 8.512 17.148 1.00 1.22 C ATOM 706 O GLY A 54 1.620 7.853 16.151 1.00 33.20 O ATOM 0 H GLY A 54 0.216 9.268 15.014 1.00 11.40 H new ATOM 0 HA2 GLY A 54 1.132 10.630 17.380 1.00 10.50 H new ATOM 0 HA3 GLY A 54 -0.353 9.741 17.651 1.00 10.50 H new ATOM 710 N ASP A 55 1.668 8.155 18.381 1.00 52.20 N ATOM 711 CA ASP A 55 2.431 6.939 18.639 1.00 40.40 C ATOM 712 C ASP A 55 1.661 5.705 18.181 1.00 11.10 C ATOM 713 O ASP A 55 2.196 4.856 17.468 1.00 32.30 O ATOM 714 CB ASP A 55 2.760 6.826 20.129 1.00 42.00 C ATOM 715 CG ASP A 55 1.548 7.059 21.008 1.00 61.00 C ATOM 716 OD1 ASP A 55 0.938 8.144 20.904 1.00 44.50 O ATOM 717 OD2 ASP A 55 1.207 6.155 21.801 1.00 32.50 O ATOM 0 H ASP A 55 1.431 8.690 19.217 1.00 52.20 H new ATOM 0 HA ASP A 55 3.360 6.995 18.072 1.00 40.40 H new ATOM 0 HB2 ASP A 55 3.169 5.837 20.334 1.00 42.00 H new ATOM 0 HB3 ASP A 55 3.534 7.550 20.383 1.00 42.00 H new ATOM 722 N LYS A 56 0.402 5.612 18.596 1.00 12.20 N ATOM 723 CA LYS A 56 -0.442 4.482 18.228 1.00 72.20 C ATOM 724 C LYS A 56 -0.742 4.490 16.733 1.00 53.50 C ATOM 725 O LYS A 56 -0.905 3.437 16.116 1.00 72.20 O ATOM 726 CB LYS A 56 -1.750 4.515 19.022 1.00 23.40 C ATOM 727 CG LYS A 56 -2.672 3.345 18.724 1.00 12.30 C ATOM 728 CD LYS A 56 -4.134 3.757 18.790 1.00 14.10 C ATOM 729 CE LYS A 56 -5.022 2.596 19.207 1.00 22.10 C ATOM 730 NZ LYS A 56 -6.335 2.620 18.505 1.00 2.10 N ATOM 0 H LYS A 56 -0.056 6.306 19.187 1.00 12.20 H new ATOM 0 HA LYS A 56 0.098 3.566 18.467 1.00 72.20 H new ATOM 0 HB2 LYS A 56 -1.519 4.522 20.087 1.00 23.40 H new ATOM 0 HB3 LYS A 56 -2.275 5.445 18.803 1.00 23.40 H new ATOM 0 HG2 LYS A 56 -2.449 2.948 17.734 1.00 12.30 H new ATOM 0 HG3 LYS A 56 -2.486 2.543 19.438 1.00 12.30 H new ATOM 0 HD2 LYS A 56 -4.250 4.578 19.498 1.00 14.10 H new ATOM 0 HD3 LYS A 56 -4.453 4.129 17.816 1.00 14.10 H new ATOM 0 HE2 LYS A 56 -4.514 1.656 18.994 1.00 22.10 H new ATOM 0 HE3 LYS A 56 -5.186 2.633 20.284 1.00 22.10 H new ATOM 0 HZ1 LYS A 56 -6.910 1.812 18.817 1.00 2.10 H new ATOM 0 HZ2 LYS A 56 -6.832 3.506 18.728 1.00 2.10 H new ATOM 0 HZ3 LYS A 56 -6.181 2.559 17.478 1.00 2.10 H new ATOM 744 N ALA A 57 -0.813 5.685 16.156 1.00 45.30 N ATOM 745 CA ALA A 57 -1.093 5.830 14.732 1.00 70.30 C ATOM 746 C ALA A 57 0.087 5.357 13.890 1.00 13.20 C ATOM 747 O ALA A 57 -0.090 4.648 12.900 1.00 74.20 O ATOM 748 CB ALA A 57 -1.430 7.277 14.406 1.00 21.00 C ATOM 0 H ALA A 57 -0.681 6.566 16.652 1.00 45.30 H new ATOM 0 HA ALA A 57 -1.952 5.205 14.490 1.00 70.30 H new ATOM 0 HB1 ALA A 57 -1.637 7.371 13.340 1.00 21.00 H new ATOM 0 HB2 ALA A 57 -2.308 7.583 14.974 1.00 21.00 H new ATOM 0 HB3 ALA A 57 -0.587 7.915 14.670 1.00 21.00 H new ATOM 754 N LYS A 58 1.290 5.754 14.290 1.00 24.30 N ATOM 755 CA LYS A 58 2.500 5.371 13.572 1.00 2.30 C ATOM 756 C LYS A 58 2.654 3.854 13.536 1.00 23.40 C ATOM 757 O LYS A 58 2.905 3.271 12.481 1.00 70.10 O ATOM 758 CB LYS A 58 3.729 6.005 14.226 1.00 52.20 C ATOM 759 CG LYS A 58 3.750 7.522 14.137 1.00 64.30 C ATOM 760 CD LYS A 58 4.573 8.134 15.259 1.00 1.12 C ATOM 761 CE LYS A 58 4.242 9.605 15.453 1.00 52.30 C ATOM 762 NZ LYS A 58 5.178 10.489 14.705 1.00 4.12 N ATOM 0 H LYS A 58 1.453 6.341 15.108 1.00 24.30 H new ATOM 0 HA LYS A 58 2.415 5.734 12.548 1.00 2.30 H new ATOM 0 HB2 LYS A 58 3.765 5.710 15.275 1.00 52.20 H new ATOM 0 HB3 LYS A 58 4.627 5.609 13.753 1.00 52.20 H new ATOM 0 HG2 LYS A 58 4.162 7.825 13.175 1.00 64.30 H new ATOM 0 HG3 LYS A 58 2.730 7.904 14.182 1.00 64.30 H new ATOM 0 HD2 LYS A 58 4.386 7.592 16.186 1.00 1.12 H new ATOM 0 HD3 LYS A 58 5.634 8.025 15.035 1.00 1.12 H new ATOM 0 HE2 LYS A 58 3.221 9.794 15.121 1.00 52.30 H new ATOM 0 HE3 LYS A 58 4.283 9.849 16.515 1.00 52.30 H new ATOM 0 HZ1 LYS A 58 4.737 11.420 14.562 1.00 4.12 H new ATOM 0 HZ2 LYS A 58 6.058 10.602 15.248 1.00 4.12 H new ATOM 0 HZ3 LYS A 58 5.394 10.063 13.781 1.00 4.12 H new ATOM 776 N GLN A 59 2.503 3.221 14.695 1.00 31.10 N ATOM 777 CA GLN A 59 2.625 1.771 14.794 1.00 22.20 C ATOM 778 C GLN A 59 1.596 1.076 13.909 1.00 23.00 C ATOM 779 O GLN A 59 1.854 0.003 13.364 1.00 54.40 O ATOM 780 CB GLN A 59 2.452 1.322 16.247 1.00 40.40 C ATOM 781 CG GLN A 59 1.139 1.767 16.868 1.00 1.21 C ATOM 782 CD GLN A 59 0.935 1.206 18.262 1.00 44.30 C ATOM 783 OE1 GLN A 59 1.734 1.450 19.166 1.00 54.30 O ATOM 784 NE2 GLN A 59 -0.141 0.448 18.443 1.00 33.40 N ATOM 0 H GLN A 59 2.296 3.689 15.578 1.00 31.10 H new ATOM 0 HA GLN A 59 3.621 1.491 14.450 1.00 22.20 H new ATOM 0 HB2 GLN A 59 2.516 0.235 16.293 1.00 40.40 H new ATOM 0 HB3 GLN A 59 3.277 1.715 16.841 1.00 40.40 H new ATOM 0 HG2 GLN A 59 1.112 2.856 16.911 1.00 1.21 H new ATOM 0 HG3 GLN A 59 0.314 1.452 16.229 1.00 1.21 H new ATOM 0 HE21 GLN A 59 -0.777 0.271 17.665 1.00 33.40 H new ATOM 0 HE22 GLN A 59 -0.331 0.043 19.359 1.00 33.40 H new ATOM 793 N SER A 60 0.429 1.697 13.769 1.00 44.20 N ATOM 794 CA SER A 60 -0.639 1.139 12.948 1.00 62.40 C ATOM 795 C SER A 60 -0.210 1.045 11.488 1.00 72.30 C ATOM 796 O SER A 60 -0.529 0.077 10.798 1.00 14.50 O ATOM 797 CB SER A 60 -1.902 1.994 13.067 1.00 51.10 C ATOM 798 OG SER A 60 -3.055 1.255 12.703 1.00 50.50 O ATOM 0 H SER A 60 0.199 2.586 14.213 1.00 44.20 H new ATOM 0 HA SER A 60 -0.854 0.134 13.310 1.00 62.40 H new ATOM 0 HB2 SER A 60 -2.006 2.355 14.090 1.00 51.10 H new ATOM 0 HB3 SER A 60 -1.812 2.872 12.427 1.00 51.10 H new ATOM 0 HG SER A 60 -3.849 1.823 12.789 1.00 50.50 H new ATOM 804 N ILE A 61 0.515 2.057 11.024 1.00 64.10 N ATOM 805 CA ILE A 61 0.989 2.089 9.645 1.00 71.10 C ATOM 806 C ILE A 61 2.067 1.036 9.412 1.00 34.50 C ATOM 807 O ILE A 61 2.164 0.462 8.327 1.00 12.20 O ATOM 808 CB ILE A 61 1.551 3.475 9.275 1.00 51.50 C ATOM 809 CG1 ILE A 61 0.550 4.571 9.646 1.00 51.50 C ATOM 810 CG2 ILE A 61 1.883 3.534 7.791 1.00 65.40 C ATOM 811 CD1 ILE A 61 1.036 5.967 9.323 1.00 20.00 C ATOM 0 H ILE A 61 0.787 2.866 11.582 1.00 64.10 H new ATOM 0 HA ILE A 61 0.130 1.874 9.009 1.00 71.10 H new ATOM 0 HB ILE A 61 2.469 3.641 9.839 1.00 51.50 H new ATOM 0 HG12 ILE A 61 -0.387 4.390 9.119 1.00 51.50 H new ATOM 0 HG13 ILE A 61 0.333 4.508 10.712 1.00 51.50 H new ATOM 0 HG21 ILE A 61 2.279 4.519 7.546 1.00 65.40 H new ATOM 0 HG22 ILE A 61 2.628 2.774 7.554 1.00 65.40 H new ATOM 0 HG23 ILE A 61 0.980 3.350 7.209 1.00 65.40 H new ATOM 0 HD11 ILE A 61 0.276 6.693 9.612 1.00 20.00 H new ATOM 0 HD12 ILE A 61 1.957 6.168 9.871 1.00 20.00 H new ATOM 0 HD13 ILE A 61 1.226 6.048 8.253 1.00 20.00 H new ATOM 823 N ARG A 62 2.876 0.787 10.437 1.00 34.30 N ATOM 824 CA ARG A 62 3.948 -0.198 10.344 1.00 72.20 C ATOM 825 C ARG A 62 3.391 -1.579 10.013 1.00 30.40 C ATOM 826 O ARG A 62 3.910 -2.276 9.141 1.00 10.10 O ATOM 827 CB ARG A 62 4.734 -0.253 11.655 1.00 24.40 C ATOM 828 CG ARG A 62 5.865 0.759 11.729 1.00 31.30 C ATOM 829 CD ARG A 62 6.709 0.561 12.977 1.00 72.10 C ATOM 830 NE ARG A 62 7.665 -0.533 12.825 1.00 13.40 N ATOM 831 CZ ARG A 62 8.776 -0.451 12.097 1.00 33.40 C ATOM 832 NH1 ARG A 62 9.076 0.672 11.455 1.00 23.50 N ATOM 833 NH2 ARG A 62 9.591 -1.493 12.011 1.00 33.40 N ATOM 0 H ARG A 62 2.810 1.254 11.342 1.00 34.30 H new ATOM 0 HA ARG A 62 4.618 0.106 9.540 1.00 72.20 H new ATOM 0 HB2 ARG A 62 4.050 -0.082 12.486 1.00 24.40 H new ATOM 0 HB3 ARG A 62 5.145 -1.255 11.781 1.00 24.40 H new ATOM 0 HG2 ARG A 62 6.495 0.667 10.844 1.00 31.30 H new ATOM 0 HG3 ARG A 62 5.453 1.768 11.724 1.00 31.30 H new ATOM 0 HD2 ARG A 62 7.246 1.483 13.201 1.00 72.10 H new ATOM 0 HD3 ARG A 62 6.057 0.357 13.827 1.00 72.10 H new ATOM 0 HE ARG A 62 7.469 -1.411 13.305 1.00 13.40 H new ATOM 0 HH11 ARG A 62 8.454 1.478 11.518 1.00 23.50 H new ATOM 0 HH12 ARG A 62 9.929 0.729 10.899 1.00 23.50 H new ATOM 0 HH21 ARG A 62 9.367 -2.358 12.503 1.00 33.40 H new ATOM 0 HH22 ARG A 62 10.442 -1.430 11.453 1.00 33.40 H new ATOM 847 N ALA A 63 2.330 -1.967 10.714 1.00 25.10 N ATOM 848 CA ALA A 63 1.703 -3.264 10.494 1.00 72.40 C ATOM 849 C ALA A 63 1.059 -3.335 9.114 1.00 24.40 C ATOM 850 O ALA A 63 1.071 -4.381 8.465 1.00 10.00 O ATOM 851 CB ALA A 63 0.669 -3.539 11.575 1.00 12.10 C ATOM 0 H ALA A 63 1.887 -1.402 11.438 1.00 25.10 H new ATOM 0 HA ALA A 63 2.478 -4.028 10.544 1.00 72.40 H new ATOM 0 HB1 ALA A 63 0.208 -4.511 11.399 1.00 12.10 H new ATOM 0 HB2 ALA A 63 1.154 -3.539 12.551 1.00 12.10 H new ATOM 0 HB3 ALA A 63 -0.097 -2.764 11.551 1.00 12.10 H new ATOM 857 N LYS A 64 0.497 -2.215 8.671 1.00 22.50 N ATOM 858 CA LYS A 64 -0.152 -2.149 7.366 1.00 65.50 C ATOM 859 C LYS A 64 0.881 -2.083 6.247 1.00 21.20 C ATOM 860 O LYS A 64 0.696 -2.670 5.181 1.00 41.10 O ATOM 861 CB LYS A 64 -1.078 -0.933 7.294 1.00 22.50 C ATOM 862 CG LYS A 64 -2.245 -1.000 8.265 1.00 22.30 C ATOM 863 CD LYS A 64 -3.493 -0.359 7.681 1.00 34.20 C ATOM 864 CE LYS A 64 -3.367 1.155 7.622 1.00 73.40 C ATOM 865 NZ LYS A 64 -4.679 1.813 7.374 1.00 45.10 N ATOM 0 H LYS A 64 0.478 -1.341 9.196 1.00 22.50 H new ATOM 0 HA LYS A 64 -0.743 -3.055 7.236 1.00 65.50 H new ATOM 0 HB2 LYS A 64 -0.498 -0.033 7.497 1.00 22.50 H new ATOM 0 HB3 LYS A 64 -1.465 -0.841 6.279 1.00 22.50 H new ATOM 0 HG2 LYS A 64 -2.452 -2.040 8.515 1.00 22.30 H new ATOM 0 HG3 LYS A 64 -1.976 -0.496 9.194 1.00 22.30 H new ATOM 0 HD2 LYS A 64 -3.669 -0.750 6.679 1.00 34.20 H new ATOM 0 HD3 LYS A 64 -4.359 -0.630 8.285 1.00 34.20 H new ATOM 0 HE2 LYS A 64 -2.949 1.521 8.560 1.00 73.40 H new ATOM 0 HE3 LYS A 64 -2.668 1.430 6.832 1.00 73.40 H new ATOM 0 HZ1 LYS A 64 -4.549 2.844 7.341 1.00 45.10 H new ATOM 0 HZ2 LYS A 64 -5.067 1.484 6.467 1.00 45.10 H new ATOM 0 HZ3 LYS A 64 -5.339 1.571 8.141 1.00 45.10 H new ATOM 879 N CYS A 65 1.971 -1.364 6.496 1.00 50.30 N ATOM 880 CA CYS A 65 3.035 -1.221 5.510 1.00 40.00 C ATOM 881 C CYS A 65 3.650 -2.575 5.173 1.00 31.30 C ATOM 882 O CYS A 65 4.099 -2.802 4.050 1.00 33.30 O ATOM 883 CB CYS A 65 4.116 -0.272 6.029 1.00 33.30 C ATOM 884 SG CYS A 65 5.467 0.016 4.862 1.00 2.33 S ATOM 0 H CYS A 65 2.140 -0.871 7.373 1.00 50.30 H new ATOM 0 HA CYS A 65 2.600 -0.803 4.602 1.00 40.00 H new ATOM 0 HB2 CYS A 65 3.656 0.684 6.279 1.00 33.30 H new ATOM 0 HB3 CYS A 65 4.528 -0.678 6.953 1.00 33.30 H new ATOM 0 HG CYS A 65 6.428 0.656 5.460 1.00 2.33 H new ATOM 890 N THR A 66 3.666 -3.472 6.154 1.00 43.40 N ATOM 891 CA THR A 66 4.226 -4.805 5.961 1.00 61.00 C ATOM 892 C THR A 66 3.211 -5.731 5.298 1.00 62.50 C ATOM 893 O THR A 66 3.578 -6.638 4.552 1.00 20.10 O ATOM 894 CB THR A 66 4.671 -5.393 7.301 1.00 43.10 C ATOM 895 OG1 THR A 66 5.291 -6.653 7.115 1.00 31.40 O ATOM 896 CG2 THR A 66 3.532 -5.582 8.280 1.00 43.10 C ATOM 0 H THR A 66 3.298 -3.300 7.090 1.00 43.40 H new ATOM 0 HA THR A 66 5.092 -4.716 5.305 1.00 61.00 H new ATOM 0 HB THR A 66 5.369 -4.667 7.717 1.00 43.10 H new ATOM 0 HG1 THR A 66 5.570 -7.012 7.983 1.00 31.40 H new ATOM 0 HG21 THR A 66 3.917 -6.002 9.209 1.00 43.10 H new ATOM 0 HG22 THR A 66 3.064 -4.619 8.484 1.00 43.10 H new ATOM 0 HG23 THR A 66 2.794 -6.261 7.853 1.00 43.10 H new ATOM 904 N GLU A 67 1.933 -5.495 5.577 1.00 31.00 N ATOM 905 CA GLU A 67 0.864 -6.308 5.007 1.00 32.40 C ATOM 906 C GLU A 67 0.682 -6.005 3.524 1.00 71.10 C ATOM 907 O GLU A 67 0.596 -6.915 2.700 1.00 74.40 O ATOM 908 CB GLU A 67 -0.447 -6.060 5.755 1.00 34.50 C ATOM 909 CG GLU A 67 -1.608 -6.896 5.242 1.00 53.30 C ATOM 910 CD GLU A 67 -1.404 -8.381 5.475 1.00 70.30 C ATOM 911 OE1 GLU A 67 -0.721 -8.739 6.457 1.00 1.12 O ATOM 912 OE2 GLU A 67 -1.927 -9.184 4.675 1.00 22.50 O ATOM 0 H GLU A 67 1.612 -4.748 6.194 1.00 31.00 H new ATOM 0 HA GLU A 67 1.142 -7.356 5.113 1.00 32.40 H new ATOM 0 HB2 GLU A 67 -0.297 -6.272 6.814 1.00 34.50 H new ATOM 0 HB3 GLU A 67 -0.707 -5.004 5.675 1.00 34.50 H new ATOM 0 HG2 GLU A 67 -2.526 -6.577 5.735 1.00 53.30 H new ATOM 0 HG3 GLU A 67 -1.739 -6.714 4.175 1.00 53.30 H new ATOM 919 N TYR A 68 0.624 -4.720 3.190 1.00 24.20 N ATOM 920 CA TYR A 68 0.452 -4.297 1.805 1.00 11.20 C ATOM 921 C TYR A 68 1.699 -4.604 0.983 1.00 43.40 C ATOM 922 O TYR A 68 1.607 -5.063 -0.155 1.00 4.10 O ATOM 923 CB TYR A 68 0.141 -2.800 1.742 1.00 51.00 C ATOM 924 CG TYR A 68 -1.127 -2.413 2.469 1.00 71.30 C ATOM 925 CD1 TYR A 68 -2.281 -3.177 2.348 1.00 15.20 C ATOM 926 CD2 TYR A 68 -1.170 -1.284 3.277 1.00 14.10 C ATOM 927 CE1 TYR A 68 -3.441 -2.826 3.010 1.00 1.21 C ATOM 928 CE2 TYR A 68 -2.326 -0.927 3.943 1.00 41.50 C ATOM 929 CZ TYR A 68 -3.459 -1.701 3.807 1.00 3.41 C ATOM 930 OH TYR A 68 -4.613 -1.349 4.468 1.00 12.10 O ATOM 0 H TYR A 68 0.694 -3.954 3.859 1.00 24.20 H new ATOM 0 HA TYR A 68 -0.385 -4.853 1.383 1.00 11.20 H new ATOM 0 HB2 TYR A 68 0.977 -2.246 2.168 1.00 51.00 H new ATOM 0 HB3 TYR A 68 0.057 -2.499 0.698 1.00 51.00 H new ATOM 0 HD1 TYR A 68 -2.271 -4.060 1.726 1.00 15.20 H new ATOM 0 HD2 TYR A 68 -0.285 -0.675 3.386 1.00 14.10 H new ATOM 0 HE1 TYR A 68 -4.330 -3.430 2.904 1.00 1.21 H new ATOM 0 HE2 TYR A 68 -2.342 -0.046 4.567 1.00 41.50 H new ATOM 0 HH TYR A 68 -4.791 -1.996 5.183 1.00 12.10 H new ATOM 940 N LEU A 69 2.865 -4.347 1.567 1.00 61.30 N ATOM 941 CA LEU A 69 4.132 -4.597 0.889 1.00 1.43 C ATOM 942 C LEU A 69 4.275 -6.072 0.529 1.00 55.10 C ATOM 943 O LEU A 69 4.581 -6.415 -0.613 1.00 13.50 O ATOM 944 CB LEU A 69 5.302 -4.159 1.771 1.00 33.30 C ATOM 945 CG LEU A 69 5.651 -2.672 1.694 1.00 71.40 C ATOM 946 CD1 LEU A 69 6.652 -2.302 2.777 1.00 50.30 C ATOM 947 CD2 LEU A 69 6.199 -2.325 0.317 1.00 22.30 C ATOM 0 H LEU A 69 2.959 -3.966 2.508 1.00 61.30 H new ATOM 0 HA LEU A 69 4.143 -4.014 -0.032 1.00 1.43 H new ATOM 0 HB2 LEU A 69 5.070 -4.409 2.806 1.00 33.30 H new ATOM 0 HB3 LEU A 69 6.183 -4.738 1.493 1.00 33.30 H new ATOM 0 HG LEU A 69 4.741 -2.095 1.858 1.00 71.40 H new ATOM 0 HD11 LEU A 69 6.888 -1.240 2.707 1.00 50.30 H new ATOM 0 HD12 LEU A 69 6.223 -2.514 3.756 1.00 50.30 H new ATOM 0 HD13 LEU A 69 7.563 -2.886 2.645 1.00 50.30 H new ATOM 0 HD21 LEU A 69 6.442 -1.263 0.279 1.00 22.30 H new ATOM 0 HD22 LEU A 69 7.098 -2.910 0.125 1.00 22.30 H new ATOM 0 HD23 LEU A 69 5.449 -2.553 -0.441 1.00 22.30 H new ATOM 959 N ASP A 70 4.051 -6.940 1.510 1.00 1.41 N ATOM 960 CA ASP A 70 4.155 -8.378 1.296 1.00 12.20 C ATOM 961 C ASP A 70 3.153 -8.846 0.246 1.00 65.00 C ATOM 962 O ASP A 70 3.501 -9.591 -0.670 1.00 61.40 O ATOM 963 CB ASP A 70 3.924 -9.128 2.609 1.00 52.10 C ATOM 964 CG ASP A 70 4.447 -10.550 2.563 1.00 73.10 C ATOM 965 OD1 ASP A 70 5.683 -10.720 2.519 1.00 13.10 O ATOM 966 OD2 ASP A 70 3.621 -11.480 2.572 1.00 41.10 O ATOM 0 H ASP A 70 3.796 -6.672 2.461 1.00 1.41 H new ATOM 0 HA ASP A 70 5.160 -8.594 0.934 1.00 12.20 H new ATOM 0 HB2 ASP A 70 4.412 -8.590 3.422 1.00 52.10 H new ATOM 0 HB3 ASP A 70 2.857 -9.143 2.833 1.00 52.10 H new ATOM 971 N ARG A 71 1.907 -8.405 0.386 1.00 30.40 N ATOM 972 CA ARG A 71 0.854 -8.779 -0.550 1.00 31.10 C ATOM 973 C ARG A 71 1.174 -8.280 -1.956 1.00 74.30 C ATOM 974 O ARG A 71 1.050 -9.021 -2.931 1.00 43.30 O ATOM 975 CB ARG A 71 -0.491 -8.214 -0.090 1.00 61.30 C ATOM 976 CG ARG A 71 -1.683 -8.803 -0.826 1.00 12.40 C ATOM 977 CD ARG A 71 -2.964 -8.652 -0.023 1.00 24.10 C ATOM 978 NE ARG A 71 -4.114 -9.232 -0.712 1.00 53.20 N ATOM 979 CZ ARG A 71 -5.363 -9.166 -0.256 1.00 70.20 C ATOM 980 NH1 ARG A 71 -5.627 -8.548 0.888 1.00 65.30 N ATOM 981 NH2 ARG A 71 -6.350 -9.721 -0.945 1.00 63.10 N ATOM 0 H ARG A 71 1.602 -7.788 1.139 1.00 30.40 H new ATOM 0 HA ARG A 71 0.794 -9.867 -0.574 1.00 31.10 H new ATOM 0 HB2 ARG A 71 -0.607 -8.399 0.978 1.00 61.30 H new ATOM 0 HB3 ARG A 71 -0.488 -7.133 -0.228 1.00 61.30 H new ATOM 0 HG2 ARG A 71 -1.797 -8.308 -1.791 1.00 12.40 H new ATOM 0 HG3 ARG A 71 -1.502 -9.859 -1.028 1.00 12.40 H new ATOM 0 HD2 ARG A 71 -2.842 -9.133 0.947 1.00 24.10 H new ATOM 0 HD3 ARG A 71 -3.150 -7.595 0.167 1.00 24.10 H new ATOM 0 HE ARG A 71 -3.950 -9.716 -1.595 1.00 53.20 H new ATOM 0 HH11 ARG A 71 -4.871 -8.120 1.423 1.00 65.30 H new ATOM 0 HH12 ARG A 71 -6.586 -8.500 1.233 1.00 65.30 H new ATOM 0 HH21 ARG A 71 -6.152 -10.199 -1.824 1.00 63.10 H new ATOM 0 HH22 ARG A 71 -7.307 -9.671 -0.596 1.00 63.10 H new ATOM 995 N ALA A 72 1.585 -7.020 -2.052 1.00 45.20 N ATOM 996 CA ALA A 72 1.923 -6.422 -3.338 1.00 71.20 C ATOM 997 C ALA A 72 3.208 -7.019 -3.900 1.00 12.10 C ATOM 998 O ALA A 72 3.336 -7.217 -5.108 1.00 23.00 O ATOM 999 CB ALA A 72 2.055 -4.913 -3.199 1.00 11.40 C ATOM 0 H ALA A 72 1.692 -6.393 -1.254 1.00 45.20 H new ATOM 0 HA ALA A 72 1.116 -6.642 -4.037 1.00 71.20 H new ATOM 0 HB1 ALA A 72 2.308 -4.479 -4.167 1.00 11.40 H new ATOM 0 HB2 ALA A 72 1.111 -4.496 -2.850 1.00 11.40 H new ATOM 0 HB3 ALA A 72 2.842 -4.681 -2.481 1.00 11.40 H new ATOM 1005 N GLU A 73 4.159 -7.303 -3.015 1.00 71.00 N ATOM 1006 CA GLU A 73 5.436 -7.877 -3.423 1.00 5.24 C ATOM 1007 C GLU A 73 5.232 -9.222 -4.113 1.00 31.30 C ATOM 1008 O GLU A 73 5.872 -9.517 -5.123 1.00 24.40 O ATOM 1009 CB GLU A 73 6.353 -8.047 -2.211 1.00 63.30 C ATOM 1010 CG GLU A 73 7.213 -6.827 -1.923 1.00 51.50 C ATOM 1011 CD GLU A 73 8.633 -7.192 -1.538 1.00 44.00 C ATOM 1012 OE1 GLU A 73 8.828 -7.715 -0.421 1.00 51.20 O ATOM 1013 OE2 GLU A 73 9.549 -6.954 -2.352 1.00 42.40 O ATOM 0 H GLU A 73 4.069 -7.145 -2.011 1.00 71.00 H new ATOM 0 HA GLU A 73 5.904 -7.193 -4.131 1.00 5.24 H new ATOM 0 HB2 GLU A 73 5.745 -8.268 -1.334 1.00 63.30 H new ATOM 0 HB3 GLU A 73 7.001 -8.908 -2.374 1.00 63.30 H new ATOM 0 HG2 GLU A 73 7.233 -6.185 -2.804 1.00 51.50 H new ATOM 0 HG3 GLU A 73 6.759 -6.249 -1.118 1.00 51.50 H new ATOM 1020 N LYS A 74 4.336 -10.030 -3.562 1.00 35.00 N ATOM 1021 CA LYS A 74 4.048 -11.340 -4.125 1.00 34.50 C ATOM 1022 C LYS A 74 3.345 -11.220 -5.472 1.00 34.30 C ATOM 1023 O LYS A 74 3.670 -11.930 -6.423 1.00 25.30 O ATOM 1024 CB LYS A 74 3.183 -12.160 -3.159 1.00 21.30 C ATOM 1025 CG LYS A 74 3.146 -13.640 -3.479 1.00 44.10 C ATOM 1026 CD LYS A 74 1.939 -14.000 -4.331 1.00 31.10 C ATOM 1027 CE LYS A 74 2.213 -15.210 -5.205 1.00 30.40 C ATOM 1028 NZ LYS A 74 1.011 -16.080 -5.344 1.00 4.01 N ATOM 0 H LYS A 74 3.797 -9.801 -2.727 1.00 35.00 H new ATOM 0 HA LYS A 74 4.998 -11.851 -4.278 1.00 34.50 H new ATOM 0 HB2 LYS A 74 3.560 -12.026 -2.145 1.00 21.30 H new ATOM 0 HB3 LYS A 74 2.166 -11.769 -3.175 1.00 21.30 H new ATOM 0 HG2 LYS A 74 4.059 -13.922 -4.003 1.00 44.10 H new ATOM 0 HG3 LYS A 74 3.121 -14.213 -2.552 1.00 44.10 H new ATOM 0 HD2 LYS A 74 1.085 -14.203 -3.685 1.00 31.10 H new ATOM 0 HD3 LYS A 74 1.670 -13.151 -4.959 1.00 31.10 H new ATOM 0 HE2 LYS A 74 2.537 -14.879 -6.192 1.00 30.40 H new ATOM 0 HE3 LYS A 74 3.032 -15.788 -4.778 1.00 30.40 H new ATOM 0 HZ1 LYS A 74 1.240 -16.895 -5.948 1.00 4.01 H new ATOM 0 HZ2 LYS A 74 0.716 -16.417 -4.405 1.00 4.01 H new ATOM 0 HZ3 LYS A 74 0.237 -15.536 -5.776 1.00 4.01 H new ATOM 1042 N LEU A 75 2.379 -10.310 -5.547 1.00 21.30 N ATOM 1043 CA LEU A 75 1.629 -10.090 -6.778 1.00 31.30 C ATOM 1044 C LEU A 75 2.563 -9.704 -7.921 1.00 21.20 C ATOM 1045 O LEU A 75 2.532 -10.300 -8.993 1.00 0.20 O ATOM 1046 CB LEU A 75 0.575 -9.001 -6.571 1.00 71.50 C ATOM 1047 CG LEU A 75 -0.820 -9.512 -6.204 1.00 3.14 C ATOM 1048 CD1 LEU A 75 -0.940 -9.703 -4.701 1.00 74.20 C ATOM 1049 CD2 LEU A 75 -1.887 -8.552 -6.709 1.00 10.30 C ATOM 0 H LEU A 75 2.097 -9.713 -4.769 1.00 21.30 H new ATOM 0 HA LEU A 75 1.128 -11.022 -7.042 1.00 31.30 H new ATOM 0 HB2 LEU A 75 0.918 -8.329 -5.784 1.00 71.50 H new ATOM 0 HB3 LEU A 75 0.500 -8.410 -7.484 1.00 71.50 H new ATOM 0 HG LEU A 75 -0.971 -10.479 -6.685 1.00 3.14 H new ATOM 0 HD11 LEU A 75 -1.939 -10.067 -4.459 1.00 74.20 H new ATOM 0 HD12 LEU A 75 -0.199 -10.428 -4.366 1.00 74.20 H new ATOM 0 HD13 LEU A 75 -0.769 -8.751 -4.198 1.00 74.20 H new ATOM 0 HD21 LEU A 75 -2.873 -8.930 -6.440 1.00 10.30 H new ATOM 0 HD22 LEU A 75 -1.738 -7.572 -6.256 1.00 10.30 H new ATOM 0 HD23 LEU A 75 -1.815 -8.466 -7.793 1.00 10.30 H new ATOM 1061 N LYS A 76 3.394 -8.695 -7.683 1.00 24.30 N ATOM 1062 CA LYS A 76 4.339 -8.231 -8.691 1.00 20.30 C ATOM 1063 C LYS A 76 5.321 -9.337 -9.065 1.00 21.30 C ATOM 1064 O LYS A 76 5.838 -9.371 -10.180 1.00 34.50 O ATOM 1065 CB LYS A 76 5.102 -7.006 -8.181 1.00 22.50 C ATOM 1066 CG LYS A 76 5.974 -7.294 -6.970 1.00 32.50 C ATOM 1067 CD LYS A 76 7.071 -6.254 -6.814 1.00 74.00 C ATOM 1068 CE LYS A 76 8.105 -6.685 -5.787 1.00 14.10 C ATOM 1069 NZ LYS A 76 8.617 -5.532 -4.996 1.00 63.10 N ATOM 0 H LYS A 76 3.432 -8.183 -6.801 1.00 24.30 H new ATOM 0 HA LYS A 76 3.775 -7.953 -9.581 1.00 20.30 H new ATOM 0 HB2 LYS A 76 5.727 -6.617 -8.985 1.00 22.50 H new ATOM 0 HB3 LYS A 76 4.387 -6.223 -7.926 1.00 22.50 H new ATOM 0 HG2 LYS A 76 5.357 -7.311 -6.072 1.00 32.50 H new ATOM 0 HG3 LYS A 76 6.421 -8.283 -7.069 1.00 32.50 H new ATOM 0 HD2 LYS A 76 7.558 -6.090 -7.775 1.00 74.00 H new ATOM 0 HD3 LYS A 76 6.632 -5.303 -6.513 1.00 74.00 H new ATOM 0 HE2 LYS A 76 7.663 -7.420 -5.114 1.00 14.10 H new ATOM 0 HE3 LYS A 76 8.936 -7.176 -6.293 1.00 14.10 H new ATOM 0 HZ1 LYS A 76 9.010 -5.875 -4.097 1.00 63.10 H new ATOM 0 HZ2 LYS A 76 9.360 -5.044 -5.535 1.00 63.10 H new ATOM 0 HZ3 LYS A 76 7.838 -4.870 -4.803 1.00 63.10 H new ATOM 1083 N GLU A 77 5.572 -10.240 -8.122 1.00 0.23 N ATOM 1084 CA GLU A 77 6.492 -11.340 -8.350 1.00 12.00 C ATOM 1085 C GLU A 77 6.040 -12.200 -9.532 1.00 34.50 C ATOM 1086 O GLU A 77 6.800 -12.420 -10.470 1.00 61.50 O ATOM 1087 CB GLU A 77 6.600 -12.210 -7.094 1.00 62.10 C ATOM 1088 CG GLU A 77 7.982 -12.810 -6.884 1.00 21.50 C ATOM 1089 CD GLU A 77 8.062 -14.260 -7.319 1.00 44.20 C ATOM 1090 OE1 GLU A 77 7.681 -14.560 -8.470 1.00 2.21 O ATOM 1091 OE2 GLU A 77 8.507 -15.100 -6.508 1.00 10.30 O ATOM 0 H GLU A 77 5.149 -10.228 -7.194 1.00 0.23 H new ATOM 0 HA GLU A 77 7.469 -10.916 -8.583 1.00 12.00 H new ATOM 0 HB2 GLU A 77 6.338 -11.609 -6.223 1.00 62.10 H new ATOM 0 HB3 GLU A 77 5.869 -13.016 -7.157 1.00 62.10 H new ATOM 0 HG2 GLU A 77 8.715 -12.227 -7.441 1.00 21.50 H new ATOM 0 HG3 GLU A 77 8.250 -12.736 -5.830 1.00 21.50 H new ATOM 1098 N TYR A 78 4.799 -12.670 -9.476 1.00 15.00 N ATOM 1099 CA TYR A 78 4.253 -13.500 -10.540 1.00 22.10 C ATOM 1100 C TYR A 78 3.755 -12.640 -11.700 1.00 22.20 C ATOM 1101 O TYR A 78 3.890 -13.010 -12.860 1.00 4.21 O ATOM 1102 CB TYR A 78 3.123 -14.390 -10.000 1.00 41.20 C ATOM 1103 CG TYR A 78 1.778 -13.700 -9.908 1.00 3.53 C ATOM 1104 CD1 TYR A 78 0.989 -13.510 -11.030 1.00 45.30 C ATOM 1105 CD2 TYR A 78 1.297 -13.240 -8.687 1.00 44.50 C ATOM 1106 CE1 TYR A 78 -0.240 -12.880 -10.940 1.00 71.10 C ATOM 1107 CE2 TYR A 78 0.069 -12.620 -8.593 1.00 23.50 C ATOM 1108 CZ TYR A 78 -0.695 -12.440 -9.727 1.00 75.20 C ATOM 1109 OH TYR A 78 -1.918 -11.810 -9.637 1.00 72.00 O ATOM 0 H TYR A 78 4.154 -12.490 -8.706 1.00 15.00 H new ATOM 0 HA TYR A 78 5.050 -14.143 -10.915 1.00 22.10 H new ATOM 0 HB2 TYR A 78 3.026 -15.265 -10.643 1.00 41.20 H new ATOM 0 HB3 TYR A 78 3.402 -14.751 -9.010 1.00 41.20 H new ATOM 0 HD1 TYR A 78 1.338 -13.859 -11.991 1.00 45.30 H new ATOM 0 HD2 TYR A 78 1.895 -13.371 -7.797 1.00 44.50 H new ATOM 0 HE1 TYR A 78 -0.840 -12.736 -11.827 1.00 71.10 H new ATOM 0 HE2 TYR A 78 -0.293 -12.277 -7.635 1.00 23.50 H new ATOM 0 HH TYR A 78 -2.373 -12.094 -8.817 1.00 72.00 H new ATOM 1119 N LEU A 79 3.178 -11.490 -11.370 1.00 70.30 N ATOM 1120 CA LEU A 79 2.659 -10.580 -12.380 1.00 5.31 C ATOM 1121 C LEU A 79 3.767 -10.130 -13.330 1.00 15.00 C ATOM 1122 O LEU A 79 3.560 -10.020 -14.540 1.00 42.50 O ATOM 1123 CB LEU A 79 2.015 -9.364 -11.720 1.00 2.04 C ATOM 1124 CG LEU A 79 0.577 -9.572 -11.240 1.00 31.10 C ATOM 1125 CD1 LEU A 79 0.172 -8.470 -10.270 1.00 12.10 C ATOM 1126 CD2 LEU A 79 -0.376 -9.622 -12.420 1.00 43.10 C ATOM 0 H LEU A 79 3.059 -11.167 -10.410 1.00 70.30 H new ATOM 0 HA LEU A 79 1.904 -11.113 -12.957 1.00 5.31 H new ATOM 0 HB2 LEU A 79 2.626 -9.066 -10.868 1.00 2.04 H new ATOM 0 HB3 LEU A 79 2.029 -8.535 -12.428 1.00 2.04 H new ATOM 0 HG LEU A 79 0.524 -10.526 -10.716 1.00 31.10 H new ATOM 0 HD11 LEU A 79 -0.854 -8.635 -9.940 1.00 12.10 H new ATOM 0 HD12 LEU A 79 0.838 -8.482 -9.407 1.00 12.10 H new ATOM 0 HD13 LEU A 79 0.242 -7.503 -10.768 1.00 12.10 H new ATOM 0 HD21 LEU A 79 -1.394 -9.770 -12.060 1.00 43.10 H new ATOM 0 HD22 LEU A 79 -0.320 -8.684 -12.973 1.00 43.10 H new ATOM 0 HD23 LEU A 79 -0.100 -10.447 -13.076 1.00 43.10 H new ATOM 1138 N LYS A 80 4.944 -9.868 -12.770 1.00 51.50 N ATOM 1139 CA LYS A 80 6.086 -9.430 -13.560 1.00 20.40 C ATOM 1140 C LYS A 80 6.810 -10.620 -14.180 1.00 45.50 C ATOM 1141 O LYS A 80 7.377 -10.520 -15.270 1.00 51.00 O ATOM 1142 CB LYS A 80 7.054 -8.620 -12.700 1.00 1.51 C ATOM 1143 CG LYS A 80 8.061 -7.816 -13.510 1.00 31.30 C ATOM 1144 CD LYS A 80 8.395 -6.498 -12.830 1.00 44.20 C ATOM 1145 CE LYS A 80 7.584 -5.351 -13.410 1.00 71.00 C ATOM 1146 NZ LYS A 80 8.077 -4.947 -14.750 1.00 41.50 N ATOM 0 H LYS A 80 5.130 -9.952 -11.771 1.00 51.50 H new ATOM 0 HA LYS A 80 5.713 -8.796 -14.364 1.00 20.40 H new ATOM 0 HB2 LYS A 80 6.483 -7.940 -12.067 1.00 1.51 H new ATOM 0 HB3 LYS A 80 7.592 -9.297 -12.036 1.00 1.51 H new ATOM 0 HG2 LYS A 80 8.972 -8.400 -13.643 1.00 31.30 H new ATOM 0 HG3 LYS A 80 7.659 -7.622 -14.504 1.00 31.30 H new ATOM 0 HD2 LYS A 80 8.199 -6.579 -11.761 1.00 44.20 H new ATOM 0 HD3 LYS A 80 9.458 -6.288 -12.944 1.00 44.20 H new ATOM 0 HE2 LYS A 80 6.537 -5.647 -13.482 1.00 71.00 H new ATOM 0 HE3 LYS A 80 7.628 -4.497 -12.734 1.00 71.00 H new ATOM 0 HZ1 LYS A 80 7.627 -4.052 -15.030 1.00 41.50 H new ATOM 0 HZ2 LYS A 80 9.109 -4.820 -14.717 1.00 41.50 H new ATOM 0 HZ3 LYS A 80 7.841 -5.685 -15.444 1.00 41.50 H new ATOM 1160 N ASN A 81 6.788 -11.740 -13.480 1.00 52.00 N ATOM 1161 CA ASN A 81 7.443 -12.960 -13.950 1.00 4.41 C ATOM 1162 C ASN A 81 6.716 -13.530 -15.170 1.00 21.40 C ATOM 1163 O ASN A 81 7.342 -13.890 -16.160 1.00 53.50 O ATOM 1164 CB ASN A 81 7.496 -14.010 -12.840 1.00 24.40 C ATOM 1165 CG ASN A 81 8.719 -13.850 -11.960 1.00 42.10 C ATOM 1166 OD1 ASN A 81 9.622 -13.070 -12.260 1.00 64.30 O ATOM 1167 ND2 ASN A 81 8.753 -14.590 -10.860 1.00 3.23 N ATOM 0 H ASN A 81 6.322 -11.836 -12.578 1.00 52.00 H new ATOM 0 HA ASN A 81 8.462 -12.702 -14.237 1.00 4.41 H new ATOM 0 HB2 ASN A 81 6.597 -13.935 -12.228 1.00 24.40 H new ATOM 0 HB3 ASN A 81 7.497 -15.006 -13.284 1.00 24.40 H new ATOM 0 HD21 ASN A 81 9.549 -14.525 -10.226 1.00 3.23 H new ATOM 0 HD22 ASN A 81 7.983 -15.225 -10.648 1.00 3.23 H new TER 1174 ASN A 81