USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 949 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 108 HIS : no HD1:sc= 0.854 K(o=0.93,f=-4.9) USER MOD Set 1.2: A 112 SER OG : rot -107:sc= 0.0724 USER MOD Set 2.1: A 37 TYR OH : rot 174:sc= 0.474 USER MOD Set 2.2: A 39 TYR OH : rot 180:sc= 0.433 USER MOD Single : A 1 GLY N :NH3+ -177:sc= 0 (180deg=-0.00743) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -1:sc= 1.12 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0434 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 16 SER OG : rot -144:sc= 1.29 USER MOD Single : A 19 LYS NZ :NH3+ 179:sc= 0.0902 (180deg=-0.0167) USER MOD Single : A 20 SER OG : rot 87:sc= 1.79 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0.835 K(o=0.84,f=-0.3) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -3.96 K(o=-4,f=-5.2!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 16:sc= 0.432 USER MOD Single : A 52 SER OG : rot 73:sc= 0.00493 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -157:sc= 0.422 (180deg=-0.0281) USER MOD Single : A 60 GLN : amide:sc= -0.221 K(o=-0.22,f=-2.4!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 32:sc= 0.436 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -124:sc= -2.02! (180deg=-2.18!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot -32:sc= 1.26 USER MOD Single : A 96 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0757) USER MOD Single : A 97 ASN : amide:sc= -3.82 K(o=-3.8,f=-5.8!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -154:sc= -0.0925 (180deg=-0.882) USER MOD Single : A 105 GLN : amide:sc= -0.181 K(o=-0.18,f=-2!) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot -15:sc= -0.885 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.610 5.739 14.158 1.00 0.00 N ATOM 2 CA GLY A 1 -2.898 6.127 14.703 1.00 0.00 C ATOM 3 C GLY A 1 -3.176 7.607 14.535 1.00 0.00 C ATOM 4 O GLY A 1 -4.276 7.999 14.145 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.489 4.710 14.252 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.565 6.003 13.153 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.852 6.225 14.678 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.685 5.555 14.211 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.933 5.872 15.762 1.00 0.00 H new ATOM 8 N SER A 2 -2.178 8.433 14.832 1.00 0.00 N ATOM 9 CA SER A 2 -2.322 9.880 14.717 1.00 0.00 C ATOM 10 C SER A 2 -2.723 10.275 13.299 1.00 0.00 C ATOM 11 O SER A 2 -2.676 9.458 12.379 1.00 0.00 O ATOM 12 CB SER A 2 -1.015 10.576 15.103 1.00 0.00 C ATOM 13 OG SER A 2 -0.777 10.478 16.496 1.00 0.00 O ATOM 0 H SER A 2 -1.261 8.125 15.154 1.00 0.00 H new ATOM 0 HA SER A 2 -3.110 10.198 15.400 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.185 10.127 14.557 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.058 11.625 14.811 1.00 0.00 H new ATOM 0 HG SER A 2 0.065 10.929 16.717 1.00 0.00 H new ATOM 19 N SER A 3 -3.117 11.533 13.131 1.00 0.00 N ATOM 20 CA SER A 3 -3.530 12.037 11.827 1.00 0.00 C ATOM 21 C SER A 3 -3.536 13.562 11.811 1.00 0.00 C ATOM 22 O SER A 3 -4.159 14.201 12.658 1.00 0.00 O ATOM 23 CB SER A 3 -4.920 11.507 11.469 1.00 0.00 C ATOM 24 OG SER A 3 -4.870 10.130 11.136 1.00 0.00 O ATOM 0 H SER A 3 -3.159 12.222 13.882 1.00 0.00 H new ATOM 0 HA SER A 3 -2.812 11.686 11.085 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.598 11.657 12.310 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.324 12.073 10.629 1.00 0.00 H new ATOM 0 HG SER A 3 -3.944 9.813 11.191 1.00 0.00 H new ATOM 30 N GLY A 4 -2.836 14.140 10.839 1.00 0.00 N ATOM 31 CA GLY A 4 -2.773 15.586 10.729 1.00 0.00 C ATOM 32 C GLY A 4 -1.366 16.120 10.912 1.00 0.00 C ATOM 33 O GLY A 4 -0.511 15.452 11.494 1.00 0.00 O ATOM 0 H GLY A 4 -2.312 13.633 10.126 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.150 15.890 9.752 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.428 16.033 11.476 1.00 0.00 H new ATOM 37 N SER A 5 -1.123 17.328 10.412 1.00 0.00 N ATOM 38 CA SER A 5 0.192 17.949 10.518 1.00 0.00 C ATOM 39 C SER A 5 0.166 19.110 11.508 1.00 0.00 C ATOM 40 O SER A 5 -0.890 19.477 12.024 1.00 0.00 O ATOM 41 CB SER A 5 0.658 18.443 9.147 1.00 0.00 C ATOM 42 OG SER A 5 -0.178 19.483 8.669 1.00 0.00 O ATOM 0 H SER A 5 -1.820 17.896 9.930 1.00 0.00 H new ATOM 0 HA SER A 5 0.893 17.198 10.883 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.685 18.800 9.216 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.655 17.615 8.438 1.00 0.00 H new ATOM 0 HG SER A 5 0.141 19.783 7.792 1.00 0.00 H new ATOM 48 N SER A 6 1.336 19.683 11.768 1.00 0.00 N ATOM 49 CA SER A 6 1.450 20.800 12.699 1.00 0.00 C ATOM 50 C SER A 6 2.383 21.874 12.147 1.00 0.00 C ATOM 51 O SER A 6 3.238 21.598 11.307 1.00 0.00 O ATOM 52 CB SER A 6 1.963 20.311 14.055 1.00 0.00 C ATOM 53 OG SER A 6 0.921 19.716 14.810 1.00 0.00 O ATOM 0 H SER A 6 2.219 19.393 11.347 1.00 0.00 H new ATOM 0 HA SER A 6 0.459 21.235 12.829 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.766 19.589 13.905 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.387 21.148 14.610 1.00 0.00 H new ATOM 0 HG SER A 6 1.275 19.410 15.671 1.00 0.00 H new ATOM 59 N GLY A 7 2.210 23.102 12.628 1.00 0.00 N ATOM 60 CA GLY A 7 3.043 24.200 12.172 1.00 0.00 C ATOM 61 C GLY A 7 3.030 24.350 10.664 1.00 0.00 C ATOM 62 O GLY A 7 3.912 23.838 9.976 1.00 0.00 O ATOM 0 H GLY A 7 1.509 23.356 13.324 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.698 25.128 12.629 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.067 24.039 12.509 1.00 0.00 H new ATOM 66 N GLU A 8 2.026 25.054 10.149 1.00 0.00 N ATOM 67 CA GLU A 8 1.901 25.267 8.712 1.00 0.00 C ATOM 68 C GLU A 8 2.697 26.492 8.273 1.00 0.00 C ATOM 69 O GLU A 8 2.212 27.622 8.346 1.00 0.00 O ATOM 70 CB GLU A 8 0.431 25.434 8.324 1.00 0.00 C ATOM 71 CG GLU A 8 -0.364 24.140 8.376 1.00 0.00 C ATOM 72 CD GLU A 8 -1.840 24.372 8.635 1.00 0.00 C ATOM 73 OE1 GLU A 8 -2.179 25.396 9.263 1.00 0.00 O ATOM 74 OE2 GLU A 8 -2.656 23.527 8.209 1.00 0.00 O ATOM 0 H GLU A 8 1.288 25.486 10.705 1.00 0.00 H new ATOM 0 HA GLU A 8 2.305 24.391 8.204 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.031 26.162 8.991 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.375 25.845 7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.244 23.606 7.433 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.042 23.500 9.159 1.00 0.00 H new ATOM 81 N THR A 9 3.924 26.261 7.816 1.00 0.00 N ATOM 82 CA THR A 9 4.789 27.344 7.366 1.00 0.00 C ATOM 83 C THR A 9 6.043 26.802 6.689 1.00 0.00 C ATOM 84 O THR A 9 6.394 25.635 6.855 1.00 0.00 O ATOM 85 CB THR A 9 5.204 28.255 8.538 1.00 0.00 C ATOM 86 OG1 THR A 9 5.859 29.426 8.039 1.00 0.00 O ATOM 87 CG2 THR A 9 6.131 27.518 9.493 1.00 0.00 C ATOM 0 H THR A 9 4.341 25.333 7.748 1.00 0.00 H new ATOM 0 HA THR A 9 4.216 27.928 6.646 1.00 0.00 H new ATOM 0 HB THR A 9 4.304 28.545 9.081 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.118 30.001 8.789 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.411 28.180 10.312 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.620 26.642 9.893 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.027 27.203 8.959 1.00 0.00 H new ATOM 95 N GLY A 10 6.716 27.659 5.927 1.00 0.00 N ATOM 96 CA GLY A 10 7.924 27.247 5.237 1.00 0.00 C ATOM 97 C GLY A 10 8.163 28.036 3.964 1.00 0.00 C ATOM 98 O GLY A 10 7.552 29.082 3.750 1.00 0.00 O ATOM 0 H GLY A 10 6.446 28.631 5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.779 27.370 5.902 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.857 26.186 4.996 1.00 0.00 H new ATOM 102 N GLY A 11 9.056 27.533 3.117 1.00 0.00 N ATOM 103 CA GLY A 11 9.359 28.212 1.871 1.00 0.00 C ATOM 104 C GLY A 11 9.025 27.369 0.656 1.00 0.00 C ATOM 105 O GLY A 11 8.231 27.778 -0.191 1.00 0.00 O ATOM 0 H GLY A 11 9.574 26.668 3.271 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.801 29.147 1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.418 28.471 1.850 1.00 0.00 H new ATOM 109 N GLU A 12 9.633 26.191 0.569 1.00 0.00 N ATOM 110 CA GLU A 12 9.396 25.291 -0.554 1.00 0.00 C ATOM 111 C GLU A 12 8.038 24.607 -0.426 1.00 0.00 C ATOM 112 O GLU A 12 7.398 24.666 0.624 1.00 0.00 O ATOM 113 CB GLU A 12 10.504 24.238 -0.635 1.00 0.00 C ATOM 114 CG GLU A 12 10.481 23.240 0.511 1.00 0.00 C ATOM 115 CD GLU A 12 11.698 22.336 0.521 1.00 0.00 C ATOM 116 OE1 GLU A 12 12.807 22.832 0.232 1.00 0.00 O ATOM 117 OE2 GLU A 12 11.541 21.133 0.818 1.00 0.00 O ATOM 0 H GLU A 12 10.293 25.837 1.262 1.00 0.00 H new ATOM 0 HA GLU A 12 9.400 25.884 -1.469 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.412 23.698 -1.578 1.00 0.00 H new ATOM 0 HB3 GLU A 12 11.471 24.741 -0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.426 23.779 1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.580 22.630 0.439 1.00 0.00 H new ATOM 124 N ARG A 13 7.605 23.958 -1.502 1.00 0.00 N ATOM 125 CA ARG A 13 6.323 23.264 -1.511 1.00 0.00 C ATOM 126 C ARG A 13 6.262 22.220 -0.400 1.00 0.00 C ATOM 127 O ARG A 13 7.249 21.983 0.296 1.00 0.00 O ATOM 128 CB ARG A 13 6.091 22.595 -2.867 1.00 0.00 C ATOM 129 CG ARG A 13 7.140 21.553 -3.220 1.00 0.00 C ATOM 130 CD ARG A 13 6.842 20.893 -4.557 1.00 0.00 C ATOM 131 NE ARG A 13 7.906 19.980 -4.966 1.00 0.00 N ATOM 132 CZ ARG A 13 9.112 20.382 -5.351 1.00 0.00 C ATOM 133 NH1 ARG A 13 9.406 21.675 -5.378 1.00 0.00 N ATOM 134 NH2 ARG A 13 10.027 19.491 -5.708 1.00 0.00 N ATOM 0 H ARG A 13 8.123 23.898 -2.379 1.00 0.00 H new ATOM 0 HA ARG A 13 5.538 24.000 -1.337 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.108 22.123 -2.866 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.076 23.361 -3.643 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.123 22.023 -3.256 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.178 20.794 -2.439 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.901 20.346 -4.490 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.711 21.661 -5.319 1.00 0.00 H new ATOM 0 HE ARG A 13 7.712 18.979 -4.955 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.705 22.363 -5.103 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.333 21.981 -5.674 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.805 18.496 -5.687 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.953 19.801 -6.003 1.00 0.00 H new ATOM 148 N GLN A 14 5.097 21.601 -0.241 1.00 0.00 N ATOM 149 CA GLN A 14 4.907 20.583 0.786 1.00 0.00 C ATOM 150 C GLN A 14 4.040 19.441 0.268 1.00 0.00 C ATOM 151 O GLN A 14 3.025 19.668 -0.393 1.00 0.00 O ATOM 152 CB GLN A 14 4.269 21.199 2.032 1.00 0.00 C ATOM 153 CG GLN A 14 5.219 22.074 2.834 1.00 0.00 C ATOM 154 CD GLN A 14 4.546 22.729 4.024 1.00 0.00 C ATOM 155 OE1 GLN A 14 3.364 23.071 3.973 1.00 0.00 O ATOM 156 NE2 GLN A 14 5.297 22.909 5.104 1.00 0.00 N ATOM 0 H GLN A 14 4.271 21.786 -0.810 1.00 0.00 H new ATOM 0 HA GLN A 14 5.886 20.181 1.048 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.407 21.794 1.732 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.897 20.399 2.672 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.057 21.470 3.182 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.631 22.846 2.184 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.272 22.610 5.103 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.899 23.346 5.935 1.00 0.00 H new ATOM 165 N LEU A 15 4.444 18.213 0.571 1.00 0.00 N ATOM 166 CA LEU A 15 3.704 17.034 0.136 1.00 0.00 C ATOM 167 C LEU A 15 2.646 16.644 1.164 1.00 0.00 C ATOM 168 O LEU A 15 2.939 16.516 2.352 1.00 0.00 O ATOM 169 CB LEU A 15 4.661 15.863 -0.097 1.00 0.00 C ATOM 170 CG LEU A 15 4.058 14.465 0.045 1.00 0.00 C ATOM 171 CD1 LEU A 15 2.968 14.246 -0.993 1.00 0.00 C ATOM 172 CD2 LEU A 15 5.140 13.403 -0.083 1.00 0.00 C ATOM 0 H LEU A 15 5.281 18.007 1.117 1.00 0.00 H new ATOM 0 HA LEU A 15 3.202 17.277 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.080 15.956 -1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.490 15.952 0.605 1.00 0.00 H new ATOM 0 HG LEU A 15 3.610 14.382 1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.550 13.246 -0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.180 14.986 -0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.391 14.349 -1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.693 12.414 0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.617 13.485 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.886 13.548 0.698 1.00 0.00 H new ATOM 184 N SER A 16 1.416 16.456 0.697 1.00 0.00 N ATOM 185 CA SER A 16 0.314 16.082 1.576 1.00 0.00 C ATOM 186 C SER A 16 -0.228 14.703 1.211 1.00 0.00 C ATOM 187 O SER A 16 -0.716 14.473 0.105 1.00 0.00 O ATOM 188 CB SER A 16 -0.806 17.121 1.494 1.00 0.00 C ATOM 189 OG SER A 16 -1.515 17.203 2.718 1.00 0.00 O ATOM 0 H SER A 16 1.157 16.556 -0.285 1.00 0.00 H new ATOM 0 HA SER A 16 0.692 16.046 2.598 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.385 18.096 1.248 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.492 16.858 0.689 1.00 0.00 H new ATOM 0 HG SER A 16 -2.463 17.373 2.536 1.00 0.00 H new ATOM 195 N PRO A 17 -0.140 13.763 2.164 1.00 0.00 N ATOM 196 CA PRO A 17 -0.617 12.391 1.968 1.00 0.00 C ATOM 197 C PRO A 17 -2.138 12.311 1.891 1.00 0.00 C ATOM 198 O PRO A 17 -2.689 11.635 1.023 1.00 0.00 O ATOM 199 CB PRO A 17 -0.105 11.657 3.210 1.00 0.00 C ATOM 200 CG PRO A 17 0.038 12.718 4.245 1.00 0.00 C ATOM 201 CD PRO A 17 0.430 13.968 3.506 1.00 0.00 C ATOM 0 HA PRO A 17 -0.263 11.967 1.029 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.804 10.884 3.529 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.847 11.164 3.014 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.896 12.862 4.788 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.795 12.446 4.981 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.025 14.861 3.983 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.512 14.090 3.469 1.00 0.00 H new ATOM 209 N GLU A 18 -2.809 13.005 2.804 1.00 0.00 N ATOM 210 CA GLU A 18 -4.267 13.011 2.839 1.00 0.00 C ATOM 211 C GLU A 18 -4.843 13.228 1.442 1.00 0.00 C ATOM 212 O GLU A 18 -5.714 12.482 0.995 1.00 0.00 O ATOM 213 CB GLU A 18 -4.772 14.102 3.786 1.00 0.00 C ATOM 214 CG GLU A 18 -4.072 15.438 3.604 1.00 0.00 C ATOM 215 CD GLU A 18 -4.737 16.307 2.555 1.00 0.00 C ATOM 216 OE1 GLU A 18 -5.950 16.131 2.319 1.00 0.00 O ATOM 217 OE2 GLU A 18 -4.042 17.164 1.969 1.00 0.00 O ATOM 0 H GLU A 18 -2.367 13.570 3.529 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.601 12.040 3.205 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.842 14.238 3.632 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.638 13.769 4.815 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.059 15.970 4.556 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.034 15.264 3.321 1.00 0.00 H new ATOM 224 N LYS A 19 -4.351 14.256 0.759 1.00 0.00 N ATOM 225 CA LYS A 19 -4.815 14.572 -0.587 1.00 0.00 C ATOM 226 C LYS A 19 -4.372 13.503 -1.581 1.00 0.00 C ATOM 227 O LYS A 19 -5.187 12.960 -2.326 1.00 0.00 O ATOM 228 CB LYS A 19 -4.285 15.940 -1.023 1.00 0.00 C ATOM 229 CG LYS A 19 -5.271 17.074 -0.801 1.00 0.00 C ATOM 230 CD LYS A 19 -4.560 18.371 -0.454 1.00 0.00 C ATOM 231 CE LYS A 19 -5.406 19.243 0.462 1.00 0.00 C ATOM 232 NZ LYS A 19 -4.911 20.647 0.504 1.00 0.00 N ATOM 0 H LYS A 19 -3.631 14.885 1.115 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.905 14.599 -0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.367 16.156 -0.476 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.024 15.899 -2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.872 17.216 -1.699 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.958 16.808 0.003 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.609 18.148 0.030 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.331 18.918 -1.369 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.441 19.233 0.119 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.400 18.825 1.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.524 21.213 1.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.938 20.661 0.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.925 21.049 -0.455 1.00 0.00 H new ATOM 246 N SER A 20 -3.077 13.206 -1.584 1.00 0.00 N ATOM 247 CA SER A 20 -2.526 12.203 -2.488 1.00 0.00 C ATOM 248 C SER A 20 -3.526 11.075 -2.723 1.00 0.00 C ATOM 249 O SER A 20 -4.059 10.497 -1.776 1.00 0.00 O ATOM 250 CB SER A 20 -1.223 11.635 -1.921 1.00 0.00 C ATOM 251 OG SER A 20 -0.254 12.654 -1.751 1.00 0.00 O ATOM 0 H SER A 20 -2.390 13.645 -0.971 1.00 0.00 H new ATOM 0 HA SER A 20 -2.318 12.686 -3.443 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.419 11.152 -0.964 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.835 10.868 -2.591 1.00 0.00 H new ATOM 0 HG SER A 20 -0.370 13.073 -0.873 1.00 0.00 H new ATOM 257 N GLU A 21 -3.775 10.768 -3.992 1.00 0.00 N ATOM 258 CA GLU A 21 -4.711 9.710 -4.352 1.00 0.00 C ATOM 259 C GLU A 21 -3.969 8.461 -4.820 1.00 0.00 C ATOM 260 O GLU A 21 -2.873 8.549 -5.374 1.00 0.00 O ATOM 261 CB GLU A 21 -5.663 10.191 -5.450 1.00 0.00 C ATOM 262 CG GLU A 21 -6.448 11.436 -5.071 1.00 0.00 C ATOM 263 CD GLU A 21 -7.604 11.134 -4.137 1.00 0.00 C ATOM 264 OE1 GLU A 21 -7.372 11.050 -2.913 1.00 0.00 O ATOM 265 OE2 GLU A 21 -8.741 10.983 -4.630 1.00 0.00 O ATOM 0 H GLU A 21 -3.342 11.237 -4.788 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.290 9.457 -3.464 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.089 10.395 -6.354 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.362 9.390 -5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.778 12.152 -4.595 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.830 11.909 -5.975 1.00 0.00 H new ATOM 272 N ILE A 22 -4.573 7.300 -4.591 1.00 0.00 N ATOM 273 CA ILE A 22 -3.970 6.034 -4.989 1.00 0.00 C ATOM 274 C ILE A 22 -4.941 5.199 -5.816 1.00 0.00 C ATOM 275 O ILE A 22 -5.836 4.550 -5.274 1.00 0.00 O ATOM 276 CB ILE A 22 -3.520 5.216 -3.764 1.00 0.00 C ATOM 277 CG1 ILE A 22 -2.522 6.017 -2.926 1.00 0.00 C ATOM 278 CG2 ILE A 22 -2.909 3.894 -4.206 1.00 0.00 C ATOM 279 CD1 ILE A 22 -2.188 5.369 -1.601 1.00 0.00 C ATOM 0 H ILE A 22 -5.479 7.210 -4.132 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.097 6.276 -5.595 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.393 5.003 -3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.604 6.150 -3.498 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.930 7.011 -2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.596 3.327 -3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.649 3.320 -4.764 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.045 4.087 -4.841 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.475 5.992 -1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.097 5.261 -1.009 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.751 4.386 -1.777 1.00 0.00 H new ATOM 291 N TRP A 23 -4.757 5.218 -7.131 1.00 0.00 N ATOM 292 CA TRP A 23 -5.616 4.460 -8.034 1.00 0.00 C ATOM 293 C TRP A 23 -4.915 3.196 -8.519 1.00 0.00 C ATOM 294 O TRP A 23 -3.731 2.990 -8.254 1.00 0.00 O ATOM 295 CB TRP A 23 -6.022 5.323 -9.229 1.00 0.00 C ATOM 296 CG TRP A 23 -4.906 5.550 -10.205 1.00 0.00 C ATOM 297 CD1 TRP A 23 -4.478 4.689 -11.174 1.00 0.00 C ATOM 298 CD2 TRP A 23 -4.077 6.713 -10.303 1.00 0.00 C ATOM 299 NE1 TRP A 23 -3.432 5.247 -11.870 1.00 0.00 N ATOM 300 CE2 TRP A 23 -3.167 6.488 -11.355 1.00 0.00 C ATOM 301 CE3 TRP A 23 -4.015 7.922 -9.606 1.00 0.00 C ATOM 302 CZ2 TRP A 23 -2.209 7.428 -11.723 1.00 0.00 C ATOM 303 CZ3 TRP A 23 -3.063 8.854 -9.973 1.00 0.00 C ATOM 304 CH2 TRP A 23 -2.171 8.604 -11.024 1.00 0.00 C ATOM 0 H TRP A 23 -4.021 5.750 -7.596 1.00 0.00 H new ATOM 0 HA TRP A 23 -6.511 4.169 -7.485 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -6.855 4.847 -9.745 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -6.380 6.287 -8.867 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.899 3.713 -11.366 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -2.934 4.808 -12.644 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.699 8.125 -8.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.520 7.236 -12.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -3.006 9.792 -9.440 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.439 9.354 -11.288 1.00 0.00 H new ATOM 315 N GLY A 24 -5.654 2.350 -9.232 1.00 0.00 N ATOM 316 CA GLY A 24 -5.085 1.117 -9.742 1.00 0.00 C ATOM 317 C GLY A 24 -6.016 -0.067 -9.569 1.00 0.00 C ATOM 318 O GLY A 24 -6.979 -0.019 -8.802 1.00 0.00 O ATOM 0 H GLY A 24 -6.636 2.497 -9.465 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.850 1.239 -10.799 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.145 0.914 -9.228 1.00 0.00 H new ATOM 322 N PRO A 25 -5.734 -1.159 -10.294 1.00 0.00 N ATOM 323 CA PRO A 25 -6.542 -2.380 -10.235 1.00 0.00 C ATOM 324 C PRO A 25 -6.397 -3.107 -8.903 1.00 0.00 C ATOM 325 O PRO A 25 -7.114 -4.068 -8.628 1.00 0.00 O ATOM 326 CB PRO A 25 -5.980 -3.233 -11.375 1.00 0.00 C ATOM 327 CG PRO A 25 -4.581 -2.754 -11.552 1.00 0.00 C ATOM 328 CD PRO A 25 -4.602 -1.286 -11.228 1.00 0.00 C ATOM 0 HA PRO A 25 -7.607 -2.169 -10.328 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.007 -4.294 -11.126 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.561 -3.105 -12.288 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.899 -3.290 -10.892 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.237 -2.924 -12.572 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.667 -0.962 -10.772 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.748 -0.679 -12.122 1.00 0.00 H new ATOM 336 N GLY A 26 -5.463 -2.642 -8.078 1.00 0.00 N ATOM 337 CA GLY A 26 -5.241 -3.261 -6.784 1.00 0.00 C ATOM 338 C GLY A 26 -6.490 -3.272 -5.925 1.00 0.00 C ATOM 339 O GLY A 26 -6.747 -4.236 -5.202 1.00 0.00 O ATOM 0 H GLY A 26 -4.856 -1.848 -8.283 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.894 -4.284 -6.929 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.448 -2.727 -6.260 1.00 0.00 H new ATOM 343 N LEU A 27 -7.268 -2.198 -6.002 1.00 0.00 N ATOM 344 CA LEU A 27 -8.497 -2.087 -5.223 1.00 0.00 C ATOM 345 C LEU A 27 -9.681 -2.669 -5.989 1.00 0.00 C ATOM 346 O LEU A 27 -10.779 -2.113 -5.971 1.00 0.00 O ATOM 347 CB LEU A 27 -8.771 -0.623 -4.873 1.00 0.00 C ATOM 348 CG LEU A 27 -7.648 0.114 -4.144 1.00 0.00 C ATOM 349 CD1 LEU A 27 -7.760 1.614 -4.369 1.00 0.00 C ATOM 350 CD2 LEU A 27 -7.676 -0.207 -2.657 1.00 0.00 C ATOM 0 H LEU A 27 -7.070 -1.392 -6.595 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.368 -2.656 -4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.993 -0.085 -5.795 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.668 -0.580 -4.255 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.695 -0.224 -4.550 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.952 2.122 -3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.689 1.828 -5.435 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.719 1.968 -3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.869 0.327 -2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.633 0.102 -2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.546 -1.280 -2.514 1.00 0.00 H new ATOM 362 N LYS A 28 -9.451 -3.793 -6.659 1.00 0.00 N ATOM 363 CA LYS A 28 -10.498 -4.454 -7.428 1.00 0.00 C ATOM 364 C LYS A 28 -10.904 -5.772 -6.775 1.00 0.00 C ATOM 365 O LYS A 28 -10.186 -6.301 -5.927 1.00 0.00 O ATOM 366 CB LYS A 28 -10.025 -4.707 -8.861 1.00 0.00 C ATOM 367 CG LYS A 28 -9.818 -3.436 -9.666 1.00 0.00 C ATOM 368 CD LYS A 28 -11.112 -2.968 -10.311 1.00 0.00 C ATOM 369 CE LYS A 28 -11.083 -1.475 -10.600 1.00 0.00 C ATOM 370 NZ LYS A 28 -12.454 -0.909 -10.735 1.00 0.00 N ATOM 0 H LYS A 28 -8.547 -4.266 -6.685 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.367 -3.797 -7.450 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.089 -5.266 -8.833 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.756 -5.335 -9.371 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.430 -2.652 -9.016 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.068 -3.611 -10.438 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.276 -3.516 -11.239 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.951 -3.196 -9.653 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.555 -0.960 -9.797 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.523 -1.294 -11.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.391 0.110 -10.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.950 -1.382 -11.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.980 -1.059 -9.851 1.00 0.00 H new ATOM 384 N ALA A 29 -12.056 -6.296 -7.178 1.00 0.00 N ATOM 385 CA ALA A 29 -12.555 -7.554 -6.634 1.00 0.00 C ATOM 386 C ALA A 29 -11.877 -8.746 -7.301 1.00 0.00 C ATOM 387 O ALA A 29 -11.227 -8.604 -8.337 1.00 0.00 O ATOM 388 CB ALA A 29 -14.064 -7.640 -6.802 1.00 0.00 C ATOM 0 H ALA A 29 -12.662 -5.870 -7.879 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.318 -7.582 -5.571 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -14.423 -8.584 -6.392 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.537 -6.812 -6.274 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.316 -7.586 -7.861 1.00 0.00 H new ATOM 394 N ASP A 30 -12.033 -9.921 -6.700 1.00 0.00 N ATOM 395 CA ASP A 30 -11.437 -11.139 -7.237 1.00 0.00 C ATOM 396 C ASP A 30 -10.089 -10.843 -7.888 1.00 0.00 C ATOM 397 O ASP A 30 -9.843 -11.228 -9.031 1.00 0.00 O ATOM 398 CB ASP A 30 -12.377 -11.788 -8.253 1.00 0.00 C ATOM 399 CG ASP A 30 -13.329 -12.778 -7.611 1.00 0.00 C ATOM 400 OD1 ASP A 30 -13.937 -12.431 -6.577 1.00 0.00 O ATOM 401 OD2 ASP A 30 -13.467 -13.899 -8.143 1.00 0.00 O ATOM 0 H ASP A 30 -12.567 -10.056 -5.841 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.277 -11.831 -6.410 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.951 -11.012 -8.759 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.788 -12.297 -9.015 1.00 0.00 H new ATOM 406 N VAL A 31 -9.221 -10.155 -7.154 1.00 0.00 N ATOM 407 CA VAL A 31 -7.898 -9.807 -7.659 1.00 0.00 C ATOM 408 C VAL A 31 -7.237 -11.002 -8.337 1.00 0.00 C ATOM 409 O VAL A 31 -7.739 -12.124 -8.269 1.00 0.00 O ATOM 410 CB VAL A 31 -6.982 -9.299 -6.531 1.00 0.00 C ATOM 411 CG1 VAL A 31 -7.430 -7.925 -6.057 1.00 0.00 C ATOM 412 CG2 VAL A 31 -6.959 -10.290 -5.377 1.00 0.00 C ATOM 0 H VAL A 31 -9.410 -9.827 -6.207 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.038 -9.010 -8.389 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.969 -9.209 -6.922 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.771 -7.582 -5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.389 -7.222 -6.889 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.452 -7.985 -5.682 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.307 -9.915 -4.588 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.968 -10.415 -4.984 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.586 -11.251 -5.730 1.00 0.00 H new ATOM 422 N VAL A 32 -6.107 -10.754 -8.992 1.00 0.00 N ATOM 423 CA VAL A 32 -5.375 -11.810 -9.681 1.00 0.00 C ATOM 424 C VAL A 32 -5.010 -12.940 -8.725 1.00 0.00 C ATOM 425 O VAL A 32 -5.142 -12.805 -7.508 1.00 0.00 O ATOM 426 CB VAL A 32 -4.090 -11.268 -10.333 1.00 0.00 C ATOM 427 CG1 VAL A 32 -4.424 -10.219 -11.383 1.00 0.00 C ATOM 428 CG2 VAL A 32 -3.156 -10.697 -9.276 1.00 0.00 C ATOM 0 H VAL A 32 -5.679 -9.831 -9.060 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.033 -12.196 -10.459 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.580 -12.094 -10.829 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.503 -9.848 -11.832 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.051 -10.664 -12.155 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.958 -9.392 -10.914 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.253 -10.318 -9.755 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.656 -9.884 -8.750 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.889 -11.479 -8.565 1.00 0.00 H new ATOM 438 N LEU A 33 -4.550 -14.054 -9.283 1.00 0.00 N ATOM 439 CA LEU A 33 -4.164 -15.209 -8.480 1.00 0.00 C ATOM 440 C LEU A 33 -3.066 -14.840 -7.487 1.00 0.00 C ATOM 441 O LEU A 33 -3.228 -14.959 -6.273 1.00 0.00 O ATOM 442 CB LEU A 33 -3.687 -16.347 -9.385 1.00 0.00 C ATOM 443 CG LEU A 33 -4.743 -17.383 -9.772 1.00 0.00 C ATOM 444 CD1 LEU A 33 -4.221 -18.291 -10.875 1.00 0.00 C ATOM 445 CD2 LEU A 33 -5.159 -18.201 -8.558 1.00 0.00 C ATOM 0 H LEU A 33 -4.435 -14.182 -10.288 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.039 -15.540 -7.920 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.281 -15.912 -10.298 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.867 -16.863 -8.885 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.620 -16.856 -10.148 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.986 -19.022 -11.137 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.974 -17.693 -11.752 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.328 -18.810 -10.527 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.911 -18.933 -8.853 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.289 -18.718 -8.152 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.575 -17.539 -7.798 1.00 0.00 H new ATOM 457 N PRO A 34 -1.922 -14.378 -8.014 1.00 0.00 N ATOM 458 CA PRO A 34 -0.776 -13.979 -7.192 1.00 0.00 C ATOM 459 C PRO A 34 -1.045 -12.701 -6.405 1.00 0.00 C ATOM 460 O PRO A 34 -1.547 -12.745 -5.283 1.00 0.00 O ATOM 461 CB PRO A 34 0.336 -13.752 -8.219 1.00 0.00 C ATOM 462 CG PRO A 34 -0.379 -13.422 -9.484 1.00 0.00 C ATOM 463 CD PRO A 34 -1.660 -14.210 -9.453 1.00 0.00 C ATOM 0 HA PRO A 34 -0.532 -14.729 -6.440 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.997 -12.940 -7.914 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.956 -14.641 -8.335 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.580 -12.353 -9.551 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.222 -13.689 -10.353 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.471 -13.678 -9.950 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.553 -15.171 -9.957 1.00 0.00 H new ATOM 471 N ALA A 35 -0.706 -11.562 -7.002 1.00 0.00 N ATOM 472 CA ALA A 35 -0.913 -10.271 -6.358 1.00 0.00 C ATOM 473 C ALA A 35 -1.228 -9.189 -7.385 1.00 0.00 C ATOM 474 O ALA A 35 -0.811 -9.277 -8.540 1.00 0.00 O ATOM 475 CB ALA A 35 0.312 -9.887 -5.541 1.00 0.00 C ATOM 0 H ALA A 35 -0.287 -11.508 -7.930 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.769 -10.359 -5.689 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.144 -8.921 -5.065 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.490 -10.642 -4.775 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.181 -9.823 -6.196 1.00 0.00 H new ATOM 481 N ARG A 36 -1.966 -8.171 -6.957 1.00 0.00 N ATOM 482 CA ARG A 36 -2.338 -7.073 -7.841 1.00 0.00 C ATOM 483 C ARG A 36 -1.591 -5.796 -7.467 1.00 0.00 C ATOM 484 O ARG A 36 -1.616 -5.366 -6.313 1.00 0.00 O ATOM 485 CB ARG A 36 -3.848 -6.829 -7.780 1.00 0.00 C ATOM 486 CG ARG A 36 -4.425 -6.261 -9.066 1.00 0.00 C ATOM 487 CD ARG A 36 -4.548 -7.329 -10.142 1.00 0.00 C ATOM 488 NE ARG A 36 -5.018 -6.777 -11.410 1.00 0.00 N ATOM 489 CZ ARG A 36 -4.238 -6.119 -12.259 1.00 0.00 C ATOM 490 NH1 ARG A 36 -2.956 -5.931 -11.978 1.00 0.00 N ATOM 491 NH2 ARG A 36 -4.739 -5.647 -13.393 1.00 0.00 N ATOM 0 H ARG A 36 -2.318 -8.083 -6.004 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.062 -7.350 -8.858 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.350 -7.769 -7.550 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.064 -6.143 -6.961 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.406 -5.830 -8.866 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.788 -5.453 -9.426 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.580 -7.806 -10.291 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.237 -8.104 -9.806 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.000 -6.904 -11.657 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.566 -6.292 -11.107 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.359 -5.425 -12.632 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.725 -5.789 -13.613 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.139 -5.142 -14.044 1.00 0.00 H new ATOM 505 N TYR A 37 -0.928 -5.196 -8.448 1.00 0.00 N ATOM 506 CA TYR A 37 -0.171 -3.970 -8.221 1.00 0.00 C ATOM 507 C TYR A 37 -1.028 -2.740 -8.505 1.00 0.00 C ATOM 508 O TYR A 37 -2.113 -2.844 -9.076 1.00 0.00 O ATOM 509 CB TYR A 37 1.080 -3.948 -9.101 1.00 0.00 C ATOM 510 CG TYR A 37 0.813 -3.506 -10.522 1.00 0.00 C ATOM 511 CD1 TYR A 37 0.463 -4.427 -11.503 1.00 0.00 C ATOM 512 CD2 TYR A 37 0.909 -2.168 -10.885 1.00 0.00 C ATOM 513 CE1 TYR A 37 0.219 -4.028 -12.803 1.00 0.00 C ATOM 514 CE2 TYR A 37 0.665 -1.760 -12.182 1.00 0.00 C ATOM 515 CZ TYR A 37 0.321 -2.694 -13.137 1.00 0.00 C ATOM 516 OH TYR A 37 0.077 -2.292 -14.430 1.00 0.00 O ATOM 0 H TYR A 37 -0.899 -5.538 -9.409 1.00 0.00 H new ATOM 0 HA TYR A 37 0.129 -3.947 -7.173 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.817 -3.280 -8.654 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.521 -4.945 -9.116 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.380 -5.472 -11.244 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.179 -1.434 -10.140 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.050 -4.757 -13.553 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.743 -0.716 -12.447 1.00 0.00 H new ATOM 0 HH TYR A 37 0.097 -1.313 -14.478 1.00 0.00 H new ATOM 526 N PHE A 38 -0.531 -1.575 -8.101 1.00 0.00 N ATOM 527 CA PHE A 38 -1.250 -0.324 -8.310 1.00 0.00 C ATOM 528 C PHE A 38 -0.285 0.857 -8.352 1.00 0.00 C ATOM 529 O PHE A 38 0.920 0.696 -8.157 1.00 0.00 O ATOM 530 CB PHE A 38 -2.285 -0.114 -7.203 1.00 0.00 C ATOM 531 CG PHE A 38 -1.723 -0.279 -5.819 1.00 0.00 C ATOM 532 CD1 PHE A 38 -1.559 -1.540 -5.269 1.00 0.00 C ATOM 533 CD2 PHE A 38 -1.360 0.828 -5.069 1.00 0.00 C ATOM 534 CE1 PHE A 38 -1.043 -1.695 -3.997 1.00 0.00 C ATOM 535 CE2 PHE A 38 -0.843 0.679 -3.796 1.00 0.00 C ATOM 536 CZ PHE A 38 -0.685 -0.584 -3.259 1.00 0.00 C ATOM 0 H PHE A 38 0.366 -1.472 -7.627 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.763 -0.385 -9.270 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.709 0.886 -7.298 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.102 -0.822 -7.342 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.838 -2.412 -5.842 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.482 1.818 -5.484 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.920 -2.684 -3.580 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.563 1.549 -3.221 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.282 -0.702 -2.264 1.00 0.00 H new ATOM 546 N TYR A 39 -0.824 2.044 -8.607 1.00 0.00 N ATOM 547 CA TYR A 39 -0.011 3.253 -8.677 1.00 0.00 C ATOM 548 C TYR A 39 -0.297 4.171 -7.492 1.00 0.00 C ATOM 549 O TYR A 39 -1.336 4.057 -6.841 1.00 0.00 O ATOM 550 CB TYR A 39 -0.277 3.996 -9.987 1.00 0.00 C ATOM 551 CG TYR A 39 -0.165 3.119 -11.214 1.00 0.00 C ATOM 552 CD1 TYR A 39 1.050 2.552 -11.579 1.00 0.00 C ATOM 553 CD2 TYR A 39 -1.275 2.856 -12.007 1.00 0.00 C ATOM 554 CE1 TYR A 39 1.156 1.751 -12.699 1.00 0.00 C ATOM 555 CE2 TYR A 39 -1.179 2.055 -13.128 1.00 0.00 C ATOM 556 CZ TYR A 39 0.039 1.505 -13.471 1.00 0.00 C ATOM 557 OH TYR A 39 0.141 0.707 -14.587 1.00 0.00 O ATOM 0 H TYR A 39 -1.820 2.195 -8.769 1.00 0.00 H new ATOM 0 HA TYR A 39 1.038 2.958 -8.640 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.276 4.431 -9.952 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.428 4.823 -10.076 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.926 2.741 -10.977 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.230 3.286 -11.742 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.108 1.319 -12.969 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -2.052 1.860 -13.733 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.736 0.634 -15.018 1.00 0.00 H new ATOM 567 N ILE A 40 0.633 5.080 -7.219 1.00 0.00 N ATOM 568 CA ILE A 40 0.481 6.019 -6.115 1.00 0.00 C ATOM 569 C ILE A 40 0.854 7.435 -6.542 1.00 0.00 C ATOM 570 O ILE A 40 2.029 7.747 -6.731 1.00 0.00 O ATOM 571 CB ILE A 40 1.349 5.614 -4.908 1.00 0.00 C ATOM 572 CG1 ILE A 40 0.802 4.337 -4.266 1.00 0.00 C ATOM 573 CG2 ILE A 40 1.403 6.744 -3.891 1.00 0.00 C ATOM 574 CD1 ILE A 40 1.793 3.650 -3.352 1.00 0.00 C ATOM 0 H ILE A 40 1.499 5.186 -7.747 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.569 5.995 -5.822 1.00 0.00 H new ATOM 0 HB ILE A 40 2.363 5.418 -5.257 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.096 4.581 -3.698 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.503 3.644 -5.052 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.020 6.442 -3.044 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.833 7.631 -4.356 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.395 6.969 -3.543 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.339 2.753 -2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.682 3.375 -3.920 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.073 4.327 -2.545 1.00 0.00 H new ATOM 586 N GLN A 41 -0.155 8.287 -6.689 1.00 0.00 N ATOM 587 CA GLN A 41 0.067 9.671 -7.093 1.00 0.00 C ATOM 588 C GLN A 41 0.229 10.574 -5.874 1.00 0.00 C ATOM 589 O GLN A 41 -0.441 10.389 -4.859 1.00 0.00 O ATOM 590 CB GLN A 41 -1.095 10.165 -7.957 1.00 0.00 C ATOM 591 CG GLN A 41 -1.065 11.662 -8.218 1.00 0.00 C ATOM 592 CD GLN A 41 0.068 12.072 -9.138 1.00 0.00 C ATOM 593 OE1 GLN A 41 0.289 11.457 -10.182 1.00 0.00 O ATOM 594 NE2 GLN A 41 0.793 13.117 -8.756 1.00 0.00 N ATOM 0 H GLN A 41 -1.134 8.044 -6.535 1.00 0.00 H new ATOM 0 HA GLN A 41 0.987 9.710 -7.677 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.077 9.638 -8.911 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.035 9.908 -7.468 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.014 11.969 -8.658 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.967 12.190 -7.270 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.575 13.597 -7.883 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.568 13.439 -9.336 1.00 0.00 H new ATOM 603 N ALA A 42 1.124 11.550 -5.983 1.00 0.00 N ATOM 604 CA ALA A 42 1.373 12.483 -4.891 1.00 0.00 C ATOM 605 C ALA A 42 0.675 13.816 -5.136 1.00 0.00 C ATOM 606 O ALA A 42 0.608 14.293 -6.269 1.00 0.00 O ATOM 607 CB ALA A 42 2.869 12.694 -4.708 1.00 0.00 C ATOM 0 H ALA A 42 1.689 11.715 -6.816 1.00 0.00 H new ATOM 0 HA ALA A 42 0.963 12.052 -3.978 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.040 13.393 -3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.345 11.741 -4.477 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.294 13.099 -5.626 1.00 0.00 H new ATOM 613 N VAL A 43 0.154 14.412 -4.068 1.00 0.00 N ATOM 614 CA VAL A 43 -0.539 15.690 -4.168 1.00 0.00 C ATOM 615 C VAL A 43 0.008 16.693 -3.159 1.00 0.00 C ATOM 616 O VAL A 43 0.309 16.341 -2.019 1.00 0.00 O ATOM 617 CB VAL A 43 -2.054 15.526 -3.942 1.00 0.00 C ATOM 618 CG1 VAL A 43 -2.735 16.885 -3.876 1.00 0.00 C ATOM 619 CG2 VAL A 43 -2.666 14.667 -5.038 1.00 0.00 C ATOM 0 H VAL A 43 0.199 14.030 -3.123 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.368 16.064 -5.177 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.209 15.022 -2.988 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.805 16.749 -3.716 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.316 17.463 -3.052 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.573 17.419 -4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.737 14.562 -4.863 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.502 15.141 -6.006 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.199 13.682 -5.032 1.00 0.00 H new ATOM 629 N ASP A 44 0.135 17.945 -3.587 1.00 0.00 N ATOM 630 CA ASP A 44 0.645 19.001 -2.720 1.00 0.00 C ATOM 631 C ASP A 44 -0.378 19.366 -1.649 1.00 0.00 C ATOM 632 O ASP A 44 -1.508 18.878 -1.661 1.00 0.00 O ATOM 633 CB ASP A 44 1.004 20.238 -3.544 1.00 0.00 C ATOM 634 CG ASP A 44 1.913 21.190 -2.793 1.00 0.00 C ATOM 635 OD1 ASP A 44 3.145 20.991 -2.836 1.00 0.00 O ATOM 636 OD2 ASP A 44 1.393 22.135 -2.163 1.00 0.00 O ATOM 0 H ASP A 44 -0.108 18.253 -4.529 1.00 0.00 H new ATOM 0 HA ASP A 44 1.543 18.630 -2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.492 19.927 -4.467 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.090 20.760 -3.827 1.00 0.00 H new ATOM 641 N THR A 45 0.027 20.229 -0.721 1.00 0.00 N ATOM 642 CA THR A 45 -0.853 20.659 0.358 1.00 0.00 C ATOM 643 C THR A 45 -1.935 21.601 -0.157 1.00 0.00 C ATOM 644 O THR A 45 -2.806 22.033 0.598 1.00 0.00 O ATOM 645 CB THR A 45 -0.065 21.363 1.478 1.00 0.00 C ATOM 646 OG1 THR A 45 0.657 22.478 0.943 1.00 0.00 O ATOM 647 CG2 THR A 45 0.903 20.400 2.148 1.00 0.00 C ATOM 0 H THR A 45 0.959 20.643 -0.696 1.00 0.00 H new ATOM 0 HA THR A 45 -1.320 19.761 0.762 1.00 0.00 H new ATOM 0 HB THR A 45 -0.776 21.716 2.225 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.154 22.921 1.662 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.448 20.921 2.935 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.347 19.568 2.580 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.608 20.020 1.409 1.00 0.00 H new ATOM 655 N SER A 46 -1.874 21.917 -1.447 1.00 0.00 N ATOM 656 CA SER A 46 -2.848 22.811 -2.062 1.00 0.00 C ATOM 657 C SER A 46 -3.813 22.034 -2.951 1.00 0.00 C ATOM 658 O SER A 46 -4.905 22.507 -3.263 1.00 0.00 O ATOM 659 CB SER A 46 -2.135 23.888 -2.882 1.00 0.00 C ATOM 660 OG SER A 46 -3.063 24.808 -3.430 1.00 0.00 O ATOM 0 H SER A 46 -1.160 21.567 -2.086 1.00 0.00 H new ATOM 0 HA SER A 46 -3.420 23.289 -1.266 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.422 24.418 -2.251 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.564 23.421 -3.684 1.00 0.00 H new ATOM 0 HG SER A 46 -2.583 25.487 -3.948 1.00 0.00 H new ATOM 666 N GLY A 47 -3.401 20.837 -3.357 1.00 0.00 N ATOM 667 CA GLY A 47 -4.240 20.012 -4.207 1.00 0.00 C ATOM 668 C GLY A 47 -3.736 19.952 -5.636 1.00 0.00 C ATOM 669 O GLY A 47 -4.525 19.955 -6.580 1.00 0.00 O ATOM 0 H GLY A 47 -2.501 20.424 -3.113 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.285 19.003 -3.798 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.257 20.405 -4.200 1.00 0.00 H new ATOM 673 N ASN A 48 -2.417 19.899 -5.795 1.00 0.00 N ATOM 674 CA ASN A 48 -1.809 19.840 -7.119 1.00 0.00 C ATOM 675 C ASN A 48 -0.832 18.672 -7.217 1.00 0.00 C ATOM 676 O ASN A 48 -0.015 18.454 -6.323 1.00 0.00 O ATOM 677 CB ASN A 48 -1.085 21.152 -7.429 1.00 0.00 C ATOM 678 CG ASN A 48 -0.064 21.513 -6.368 1.00 0.00 C ATOM 679 OD1 ASN A 48 1.036 20.960 -6.335 1.00 0.00 O ATOM 680 ND2 ASN A 48 -0.424 22.446 -5.494 1.00 0.00 N ATOM 0 H ASN A 48 -1.750 19.896 -5.024 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.603 19.689 -7.850 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.587 21.070 -8.395 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.816 21.956 -7.514 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.221 22.731 -4.757 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.346 22.877 -5.559 1.00 0.00 H new ATOM 687 N LYS A 49 -0.923 17.923 -8.311 1.00 0.00 N ATOM 688 CA LYS A 49 -0.047 16.777 -8.530 1.00 0.00 C ATOM 689 C LYS A 49 1.418 17.202 -8.517 1.00 0.00 C ATOM 690 O LYS A 49 1.769 18.272 -9.017 1.00 0.00 O ATOM 691 CB LYS A 49 -0.382 16.100 -9.861 1.00 0.00 C ATOM 692 CG LYS A 49 -1.827 15.647 -9.966 1.00 0.00 C ATOM 693 CD LYS A 49 -2.149 15.130 -11.358 1.00 0.00 C ATOM 694 CE LYS A 49 -3.606 15.376 -11.721 1.00 0.00 C ATOM 695 NZ LYS A 49 -4.476 14.234 -11.324 1.00 0.00 N ATOM 0 H LYS A 49 -1.595 18.089 -9.060 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.208 16.067 -7.718 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.167 16.792 -10.675 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.271 15.238 -9.995 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.018 14.864 -9.233 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.489 16.479 -9.724 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.504 15.619 -12.087 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.935 14.062 -11.409 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.954 16.285 -11.231 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.690 15.541 -12.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.461 14.440 -11.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.160 13.371 -11.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.416 14.093 -10.295 1.00 0.00 H new ATOM 709 N PHE A 50 2.269 16.358 -7.944 1.00 0.00 N ATOM 710 CA PHE A 50 3.696 16.646 -7.867 1.00 0.00 C ATOM 711 C PHE A 50 4.382 16.360 -9.201 1.00 0.00 C ATOM 712 O PHE A 50 5.224 17.133 -9.658 1.00 0.00 O ATOM 713 CB PHE A 50 4.347 15.816 -6.759 1.00 0.00 C ATOM 714 CG PHE A 50 4.373 16.511 -5.427 1.00 0.00 C ATOM 715 CD1 PHE A 50 3.318 16.376 -4.540 1.00 0.00 C ATOM 716 CD2 PHE A 50 5.453 17.299 -5.063 1.00 0.00 C ATOM 717 CE1 PHE A 50 3.339 17.013 -3.313 1.00 0.00 C ATOM 718 CE2 PHE A 50 5.480 17.939 -3.839 1.00 0.00 C ATOM 719 CZ PHE A 50 4.421 17.797 -2.963 1.00 0.00 C ATOM 0 H PHE A 50 1.995 15.469 -7.526 1.00 0.00 H new ATOM 0 HA PHE A 50 3.815 17.705 -7.636 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.809 14.874 -6.658 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.368 15.570 -7.052 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.469 15.766 -4.810 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.283 17.414 -5.744 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.511 16.898 -2.629 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.328 18.550 -3.567 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.439 18.298 -2.006 1.00 0.00 H new ATOM 729 N THR A 51 4.014 15.243 -9.820 1.00 0.00 N ATOM 730 CA THR A 51 4.593 14.852 -11.100 1.00 0.00 C ATOM 731 C THR A 51 6.114 14.955 -11.069 1.00 0.00 C ATOM 732 O THR A 51 6.755 15.128 -12.106 1.00 0.00 O ATOM 733 CB THR A 51 4.054 15.724 -12.250 1.00 0.00 C ATOM 734 OG1 THR A 51 4.349 17.103 -11.999 1.00 0.00 O ATOM 735 CG2 THR A 51 2.552 15.542 -12.408 1.00 0.00 C ATOM 0 H THR A 51 3.318 14.593 -9.456 1.00 0.00 H new ATOM 0 HA THR A 51 4.305 13.815 -11.274 1.00 0.00 H new ATOM 0 HB THR A 51 4.541 15.411 -13.173 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.036 17.169 -11.304 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.194 16.167 -13.226 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.333 14.497 -12.628 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.051 15.831 -11.484 1.00 0.00 H new ATOM 743 N SER A 52 6.686 14.848 -9.874 1.00 0.00 N ATOM 744 CA SER A 52 8.132 14.933 -9.708 1.00 0.00 C ATOM 745 C SER A 52 8.652 13.767 -8.873 1.00 0.00 C ATOM 746 O SER A 52 7.878 12.938 -8.394 1.00 0.00 O ATOM 747 CB SER A 52 8.515 16.259 -9.048 1.00 0.00 C ATOM 748 OG SER A 52 8.439 17.330 -9.973 1.00 0.00 O ATOM 0 H SER A 52 6.170 14.702 -9.006 1.00 0.00 H new ATOM 0 HA SER A 52 8.590 14.883 -10.696 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.852 16.454 -8.205 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.527 16.191 -8.648 1.00 0.00 H new ATOM 0 HG SER A 52 7.499 17.538 -10.156 1.00 0.00 H new ATOM 754 N SER A 53 9.969 13.710 -8.703 1.00 0.00 N ATOM 755 CA SER A 53 10.595 12.644 -7.929 1.00 0.00 C ATOM 756 C SER A 53 10.708 13.034 -6.459 1.00 0.00 C ATOM 757 O SER A 53 11.445 13.948 -6.088 1.00 0.00 O ATOM 758 CB SER A 53 11.981 12.322 -8.492 1.00 0.00 C ATOM 759 OG SER A 53 12.590 11.265 -7.772 1.00 0.00 O ATOM 0 H SER A 53 10.623 14.390 -9.091 1.00 0.00 H new ATOM 0 HA SER A 53 9.966 11.757 -8.004 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.895 12.048 -9.544 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.612 13.210 -8.444 1.00 0.00 H new ATOM 0 HG SER A 53 13.474 11.077 -8.152 1.00 0.00 H new ATOM 765 N PRO A 54 9.960 12.326 -5.600 1.00 0.00 N ATOM 766 CA PRO A 54 9.958 12.579 -4.156 1.00 0.00 C ATOM 767 C PRO A 54 11.273 12.177 -3.496 1.00 0.00 C ATOM 768 O PRO A 54 11.857 12.946 -2.734 1.00 0.00 O ATOM 769 CB PRO A 54 8.812 11.703 -3.644 1.00 0.00 C ATOM 770 CG PRO A 54 8.692 10.610 -4.649 1.00 0.00 C ATOM 771 CD PRO A 54 9.058 11.223 -5.972 1.00 0.00 C ATOM 0 HA PRO A 54 9.837 13.638 -3.927 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.029 11.307 -2.652 1.00 0.00 H new ATOM 0 HB3 PRO A 54 7.885 12.271 -3.564 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.357 9.781 -4.406 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.678 10.210 -4.671 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.552 10.503 -6.625 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.178 11.585 -6.504 1.00 0.00 H new ATOM 779 N GLY A 55 11.733 10.966 -3.793 1.00 0.00 N ATOM 780 CA GLY A 55 12.976 10.483 -3.220 1.00 0.00 C ATOM 781 C GLY A 55 13.131 8.981 -3.353 1.00 0.00 C ATOM 782 O GLY A 55 12.428 8.346 -4.139 1.00 0.00 O ATOM 0 H GLY A 55 11.267 10.310 -4.420 1.00 0.00 H new ATOM 0 HA2 GLY A 55 13.815 10.977 -3.711 1.00 0.00 H new ATOM 0 HA3 GLY A 55 13.017 10.757 -2.166 1.00 0.00 H new ATOM 786 N GLU A 56 14.054 8.412 -2.584 1.00 0.00 N ATOM 787 CA GLU A 56 14.300 6.975 -2.622 1.00 0.00 C ATOM 788 C GLU A 56 13.061 6.200 -2.183 1.00 0.00 C ATOM 789 O GLU A 56 12.361 5.608 -3.006 1.00 0.00 O ATOM 790 CB GLU A 56 15.485 6.614 -1.724 1.00 0.00 C ATOM 791 CG GLU A 56 16.821 6.620 -2.448 1.00 0.00 C ATOM 792 CD GLU A 56 16.979 7.812 -3.371 1.00 0.00 C ATOM 793 OE1 GLU A 56 17.007 8.954 -2.867 1.00 0.00 O ATOM 794 OE2 GLU A 56 17.075 7.602 -4.599 1.00 0.00 O ATOM 0 H GLU A 56 14.643 8.924 -1.927 1.00 0.00 H new ATOM 0 HA GLU A 56 14.535 6.699 -3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.528 7.318 -0.893 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.318 5.626 -1.296 1.00 0.00 H new ATOM 0 HG2 GLU A 56 17.627 6.624 -1.715 1.00 0.00 H new ATOM 0 HG3 GLU A 56 16.921 5.702 -3.027 1.00 0.00 H new ATOM 801 N LYS A 57 12.795 6.207 -0.882 1.00 0.00 N ATOM 802 CA LYS A 57 11.641 5.506 -0.332 1.00 0.00 C ATOM 803 C LYS A 57 10.842 6.416 0.596 1.00 0.00 C ATOM 804 O LYS A 57 11.238 6.658 1.736 1.00 0.00 O ATOM 805 CB LYS A 57 12.092 4.256 0.428 1.00 0.00 C ATOM 806 CG LYS A 57 12.991 3.341 -0.386 1.00 0.00 C ATOM 807 CD LYS A 57 12.281 2.818 -1.623 1.00 0.00 C ATOM 808 CE LYS A 57 13.256 2.167 -2.593 1.00 0.00 C ATOM 809 NZ LYS A 57 14.100 3.176 -3.291 1.00 0.00 N ATOM 0 H LYS A 57 13.364 6.691 -0.187 1.00 0.00 H new ATOM 0 HA LYS A 57 11.000 5.209 -1.162 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.620 4.561 1.331 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.212 3.697 0.747 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.889 3.882 -0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.313 2.503 0.232 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.521 2.094 -1.329 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.764 3.638 -2.121 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.896 1.470 -2.052 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.702 1.585 -3.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.454 2.775 -4.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.532 4.024 -3.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.905 3.435 -2.685 1.00 0.00 H new ATOM 823 N VAL A 58 9.715 6.917 0.100 1.00 0.00 N ATOM 824 CA VAL A 58 8.860 7.798 0.885 1.00 0.00 C ATOM 825 C VAL A 58 7.553 7.106 1.258 1.00 0.00 C ATOM 826 O VAL A 58 7.057 7.254 2.375 1.00 0.00 O ATOM 827 CB VAL A 58 8.540 9.097 0.121 1.00 0.00 C ATOM 828 CG1 VAL A 58 9.806 9.912 -0.099 1.00 0.00 C ATOM 829 CG2 VAL A 58 7.861 8.783 -1.203 1.00 0.00 C ATOM 0 H VAL A 58 9.373 6.727 -0.842 1.00 0.00 H new ATOM 0 HA VAL A 58 9.409 8.045 1.793 1.00 0.00 H new ATOM 0 HB VAL A 58 7.853 9.692 0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.561 10.826 -0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.246 10.168 0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.519 9.327 -0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.642 9.712 -1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.521 8.167 -1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.932 8.244 -1.017 1.00 0.00 H new ATOM 839 N PHE A 59 7.000 6.350 0.315 1.00 0.00 N ATOM 840 CA PHE A 59 5.750 5.635 0.544 1.00 0.00 C ATOM 841 C PHE A 59 6.018 4.214 1.030 1.00 0.00 C ATOM 842 O PHE A 59 7.059 3.631 0.731 1.00 0.00 O ATOM 843 CB PHE A 59 4.917 5.599 -0.739 1.00 0.00 C ATOM 844 CG PHE A 59 4.378 6.942 -1.142 1.00 0.00 C ATOM 845 CD1 PHE A 59 3.674 7.721 -0.238 1.00 0.00 C ATOM 846 CD2 PHE A 59 4.576 7.426 -2.425 1.00 0.00 C ATOM 847 CE1 PHE A 59 3.177 8.957 -0.605 1.00 0.00 C ATOM 848 CE2 PHE A 59 4.082 8.661 -2.798 1.00 0.00 C ATOM 849 CZ PHE A 59 3.380 9.427 -1.888 1.00 0.00 C ATOM 0 H PHE A 59 7.398 6.217 -0.615 1.00 0.00 H new ATOM 0 HA PHE A 59 5.193 6.165 1.316 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.530 5.204 -1.549 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.085 4.908 -0.603 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.512 7.358 0.766 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.123 6.831 -3.142 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.631 9.554 0.110 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.245 9.027 -3.801 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.991 10.391 -2.179 1.00 0.00 H new ATOM 859 N GLN A 60 5.070 3.664 1.782 1.00 0.00 N ATOM 860 CA GLN A 60 5.203 2.312 2.312 1.00 0.00 C ATOM 861 C GLN A 60 3.871 1.572 2.257 1.00 0.00 C ATOM 862 O GLN A 60 2.806 2.184 2.337 1.00 0.00 O ATOM 863 CB GLN A 60 5.719 2.354 3.751 1.00 0.00 C ATOM 864 CG GLN A 60 5.862 0.980 4.386 1.00 0.00 C ATOM 865 CD GLN A 60 6.953 0.935 5.439 1.00 0.00 C ATOM 866 OE1 GLN A 60 7.783 1.839 5.528 1.00 0.00 O ATOM 867 NE2 GLN A 60 6.955 -0.122 6.243 1.00 0.00 N ATOM 0 H GLN A 60 4.202 4.134 2.038 1.00 0.00 H new ATOM 0 HA GLN A 60 5.921 1.775 1.692 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.687 2.855 3.767 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.039 2.955 4.355 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.913 0.692 4.839 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.080 0.246 3.610 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.247 -0.848 6.133 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.665 -0.208 6.971 1.00 0.00 H new ATOM 876 N VAL A 61 3.938 0.252 2.121 1.00 0.00 N ATOM 877 CA VAL A 61 2.737 -0.573 2.056 1.00 0.00 C ATOM 878 C VAL A 61 2.847 -1.778 2.983 1.00 0.00 C ATOM 879 O VAL A 61 3.924 -2.351 3.150 1.00 0.00 O ATOM 880 CB VAL A 61 2.471 -1.065 0.621 1.00 0.00 C ATOM 881 CG1 VAL A 61 1.142 -1.802 0.548 1.00 0.00 C ATOM 882 CG2 VAL A 61 2.498 0.100 -0.356 1.00 0.00 C ATOM 0 H VAL A 61 4.812 -0.270 2.054 1.00 0.00 H new ATOM 0 HA VAL A 61 1.905 0.054 2.377 1.00 0.00 H new ATOM 0 HB VAL A 61 3.262 -1.761 0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.970 -2.143 -0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.165 -2.661 1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.337 -1.131 0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.308 -0.267 -1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.729 0.823 -0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.476 0.580 -0.323 1.00 0.00 H new ATOM 892 N LYS A 62 1.726 -2.158 3.586 1.00 0.00 N ATOM 893 CA LYS A 62 1.694 -3.297 4.496 1.00 0.00 C ATOM 894 C LYS A 62 0.423 -4.116 4.298 1.00 0.00 C ATOM 895 O LYS A 62 -0.626 -3.578 3.942 1.00 0.00 O ATOM 896 CB LYS A 62 1.784 -2.819 5.947 1.00 0.00 C ATOM 897 CG LYS A 62 1.587 -3.928 6.966 1.00 0.00 C ATOM 898 CD LYS A 62 2.829 -4.792 7.097 1.00 0.00 C ATOM 899 CE LYS A 62 2.588 -5.980 8.015 1.00 0.00 C ATOM 900 NZ LYS A 62 3.864 -6.593 8.477 1.00 0.00 N ATOM 0 H LYS A 62 0.827 -1.693 3.461 1.00 0.00 H new ATOM 0 HA LYS A 62 2.552 -3.931 4.275 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.758 -2.357 6.109 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.033 -2.046 6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.341 -3.493 7.935 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.741 -4.548 6.671 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.131 -5.148 6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.652 -4.192 7.486 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.006 -5.659 8.879 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.994 -6.729 7.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.656 -7.399 9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.409 -6.923 7.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.420 -5.886 8.999 1.00 0.00 H new ATOM 914 N VAL A 63 0.523 -5.421 4.532 1.00 0.00 N ATOM 915 CA VAL A 63 -0.620 -6.314 4.381 1.00 0.00 C ATOM 916 C VAL A 63 -0.924 -7.041 5.686 1.00 0.00 C ATOM 917 O VAL A 63 -0.017 -7.508 6.375 1.00 0.00 O ATOM 918 CB VAL A 63 -0.376 -7.354 3.272 1.00 0.00 C ATOM 919 CG1 VAL A 63 -1.497 -8.383 3.249 1.00 0.00 C ATOM 920 CG2 VAL A 63 -0.242 -6.670 1.920 1.00 0.00 C ATOM 0 H VAL A 63 1.383 -5.883 4.827 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.473 -5.694 4.106 1.00 0.00 H new ATOM 0 HB VAL A 63 0.558 -7.874 3.485 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.308 -9.110 2.459 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.541 -8.895 4.210 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.447 -7.882 3.061 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.070 -7.420 1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.158 -6.123 1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.598 -5.976 1.945 1.00 0.00 H new ATOM 930 N SER A 64 -2.208 -7.134 6.020 1.00 0.00 N ATOM 931 CA SER A 64 -2.633 -7.802 7.244 1.00 0.00 C ATOM 932 C SER A 64 -3.896 -8.623 7.005 1.00 0.00 C ATOM 933 O SER A 64 -4.935 -8.086 6.622 1.00 0.00 O ATOM 934 CB SER A 64 -2.881 -6.775 8.351 1.00 0.00 C ATOM 935 OG SER A 64 -1.686 -6.093 8.690 1.00 0.00 O ATOM 0 H SER A 64 -2.971 -6.755 5.460 1.00 0.00 H new ATOM 0 HA SER A 64 -1.836 -8.477 7.556 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.633 -6.057 8.024 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.281 -7.275 9.233 1.00 0.00 H new ATOM 0 HG SER A 64 -1.871 -5.441 9.398 1.00 0.00 H new ATOM 941 N ALA A 65 -3.798 -9.928 7.233 1.00 0.00 N ATOM 942 CA ALA A 65 -4.932 -10.824 7.045 1.00 0.00 C ATOM 943 C ALA A 65 -5.827 -10.845 8.280 1.00 0.00 C ATOM 944 O ALA A 65 -5.395 -11.181 9.383 1.00 0.00 O ATOM 945 CB ALA A 65 -4.447 -12.229 6.719 1.00 0.00 C ATOM 0 H ALA A 65 -2.944 -10.389 7.548 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.522 -10.451 6.207 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.305 -12.887 6.581 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.856 -12.207 5.803 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.832 -12.601 7.539 1.00 0.00 H new ATOM 951 N PRO A 66 -7.103 -10.476 8.093 1.00 0.00 N ATOM 952 CA PRO A 66 -8.085 -10.444 9.181 1.00 0.00 C ATOM 953 C PRO A 66 -8.456 -11.841 9.668 1.00 0.00 C ATOM 954 O PRO A 66 -8.928 -12.010 10.792 1.00 0.00 O ATOM 955 CB PRO A 66 -9.297 -9.760 8.545 1.00 0.00 C ATOM 956 CG PRO A 66 -9.163 -10.031 7.086 1.00 0.00 C ATOM 957 CD PRO A 66 -7.686 -10.064 6.805 1.00 0.00 C ATOM 0 HA PRO A 66 -7.701 -9.929 10.062 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -10.230 -10.163 8.938 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.300 -8.689 8.750 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.632 -10.978 6.820 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.655 -9.256 6.498 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.444 -10.770 6.010 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -7.315 -9.089 6.490 1.00 0.00 H new ATOM 965 N GLU A 67 -8.240 -12.837 8.815 1.00 0.00 N ATOM 966 CA GLU A 67 -8.554 -14.219 9.160 1.00 0.00 C ATOM 967 C GLU A 67 -7.333 -14.924 9.745 1.00 0.00 C ATOM 968 O GLU A 67 -7.419 -15.572 10.787 1.00 0.00 O ATOM 969 CB GLU A 67 -9.052 -14.975 7.927 1.00 0.00 C ATOM 970 CG GLU A 67 -9.458 -16.411 8.216 1.00 0.00 C ATOM 971 CD GLU A 67 -10.465 -16.516 9.345 1.00 0.00 C ATOM 972 OE1 GLU A 67 -11.669 -16.312 9.088 1.00 0.00 O ATOM 973 OE2 GLU A 67 -10.047 -16.803 10.487 1.00 0.00 O ATOM 0 H GLU A 67 -7.849 -12.713 7.881 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.342 -14.209 9.913 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.905 -14.443 7.505 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.269 -14.973 7.169 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.881 -16.854 7.314 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.571 -16.991 8.470 1.00 0.00 H new ATOM 980 N GLU A 68 -6.198 -14.791 9.065 1.00 0.00 N ATOM 981 CA GLU A 68 -4.961 -15.417 9.516 1.00 0.00 C ATOM 982 C GLU A 68 -4.244 -14.533 10.533 1.00 0.00 C ATOM 983 O GLU A 68 -3.917 -13.382 10.248 1.00 0.00 O ATOM 984 CB GLU A 68 -4.040 -15.693 8.326 1.00 0.00 C ATOM 985 CG GLU A 68 -4.489 -16.864 7.467 1.00 0.00 C ATOM 986 CD GLU A 68 -5.578 -16.482 6.484 1.00 0.00 C ATOM 987 OE1 GLU A 68 -5.356 -15.550 5.683 1.00 0.00 O ATOM 988 OE2 GLU A 68 -6.654 -17.116 6.515 1.00 0.00 O ATOM 0 H GLU A 68 -6.110 -14.256 8.201 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.216 -16.362 9.996 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.984 -14.799 7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.033 -15.889 8.694 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.633 -17.258 6.920 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.851 -17.665 8.112 1.00 0.00 H new ATOM 995 N GLN A 69 -4.004 -15.082 11.719 1.00 0.00 N ATOM 996 CA GLN A 69 -3.328 -14.344 12.780 1.00 0.00 C ATOM 997 C GLN A 69 -2.023 -13.738 12.274 1.00 0.00 C ATOM 998 O GLN A 69 -1.709 -12.584 12.564 1.00 0.00 O ATOM 999 CB GLN A 69 -3.050 -15.262 13.971 1.00 0.00 C ATOM 1000 CG GLN A 69 -2.151 -16.440 13.635 1.00 0.00 C ATOM 1001 CD GLN A 69 -2.329 -17.602 14.593 1.00 0.00 C ATOM 1002 OE1 GLN A 69 -1.796 -17.595 15.702 1.00 0.00 O ATOM 1003 NE2 GLN A 69 -3.083 -18.609 14.167 1.00 0.00 N ATOM 0 H GLN A 69 -4.267 -16.035 11.970 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.984 -13.534 13.100 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.588 -14.679 14.768 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.997 -15.638 14.358 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.362 -16.775 12.620 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.111 -16.115 13.653 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.506 -18.573 13.239 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.239 -19.419 14.767 1.00 0.00 H new ATOM 1012 N PHE A 70 -1.266 -14.525 11.516 1.00 0.00 N ATOM 1013 CA PHE A 70 0.006 -14.066 10.971 1.00 0.00 C ATOM 1014 C PHE A 70 0.038 -14.229 9.454 1.00 0.00 C ATOM 1015 O PHE A 70 -0.438 -15.228 8.914 1.00 0.00 O ATOM 1016 CB PHE A 70 1.165 -14.842 11.602 1.00 0.00 C ATOM 1017 CG PHE A 70 1.504 -16.111 10.874 1.00 0.00 C ATOM 1018 CD1 PHE A 70 2.410 -16.102 9.825 1.00 0.00 C ATOM 1019 CD2 PHE A 70 0.918 -17.312 11.238 1.00 0.00 C ATOM 1020 CE1 PHE A 70 2.724 -17.268 9.153 1.00 0.00 C ATOM 1021 CE2 PHE A 70 1.228 -18.482 10.569 1.00 0.00 C ATOM 1022 CZ PHE A 70 2.133 -18.460 9.526 1.00 0.00 C ATOM 0 H PHE A 70 -1.511 -15.483 11.266 1.00 0.00 H new ATOM 0 HA PHE A 70 0.114 -13.008 11.208 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.047 -14.202 11.630 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.912 -15.082 12.635 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.876 -15.173 9.530 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.211 -17.335 12.054 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.431 -17.248 8.337 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.763 -19.412 10.862 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.378 -19.373 9.003 1.00 0.00 H new ATOM 1032 N THR A 71 0.602 -13.238 8.770 1.00 0.00 N ATOM 1033 CA THR A 71 0.695 -13.268 7.316 1.00 0.00 C ATOM 1034 C THR A 71 2.138 -13.103 6.854 1.00 0.00 C ATOM 1035 O THR A 71 2.939 -12.439 7.512 1.00 0.00 O ATOM 1036 CB THR A 71 -0.167 -12.164 6.675 1.00 0.00 C ATOM 1037 OG1 THR A 71 -0.077 -12.239 5.248 1.00 0.00 O ATOM 1038 CG2 THR A 71 0.280 -10.788 7.144 1.00 0.00 C ATOM 0 H THR A 71 1.001 -12.404 9.201 1.00 0.00 H new ATOM 0 HA THR A 71 0.323 -14.241 6.996 1.00 0.00 H new ATOM 0 HB THR A 71 -1.202 -12.317 6.982 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.629 -11.535 4.848 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.343 -10.025 6.678 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.183 -10.724 8.228 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.321 -10.628 6.863 1.00 0.00 H new ATOM 1046 N ARG A 72 2.464 -13.711 5.718 1.00 0.00 N ATOM 1047 CA ARG A 72 3.812 -13.632 5.168 1.00 0.00 C ATOM 1048 C ARG A 72 3.802 -12.950 3.803 1.00 0.00 C ATOM 1049 O ARG A 72 3.778 -13.613 2.766 1.00 0.00 O ATOM 1050 CB ARG A 72 4.419 -15.030 5.047 1.00 0.00 C ATOM 1051 CG ARG A 72 4.595 -15.736 6.382 1.00 0.00 C ATOM 1052 CD ARG A 72 5.177 -17.129 6.203 1.00 0.00 C ATOM 1053 NE ARG A 72 4.333 -17.971 5.359 1.00 0.00 N ATOM 1054 CZ ARG A 72 4.782 -19.031 4.695 1.00 0.00 C ATOM 1055 NH1 ARG A 72 6.059 -19.377 4.778 1.00 0.00 N ATOM 1056 NH2 ARG A 72 3.952 -19.747 3.947 1.00 0.00 N ATOM 0 H ARG A 72 1.813 -14.264 5.160 1.00 0.00 H new ATOM 0 HA ARG A 72 4.421 -13.037 5.848 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.782 -15.639 4.405 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.389 -14.954 4.555 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.250 -15.146 7.023 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.632 -15.805 6.888 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.170 -17.053 5.761 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.298 -17.599 7.179 1.00 0.00 H new ATOM 0 HE ARG A 72 3.345 -17.732 5.275 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.699 -18.829 5.353 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.401 -20.191 4.267 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.969 -19.484 3.881 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.297 -20.560 3.438 1.00 0.00 H new ATOM 1070 N VAL A 73 3.822 -11.620 3.811 1.00 0.00 N ATOM 1071 CA VAL A 73 3.817 -10.848 2.574 1.00 0.00 C ATOM 1072 C VAL A 73 4.982 -9.866 2.535 1.00 0.00 C ATOM 1073 O VAL A 73 5.051 -8.937 3.338 1.00 0.00 O ATOM 1074 CB VAL A 73 2.498 -10.071 2.404 1.00 0.00 C ATOM 1075 CG1 VAL A 73 2.529 -9.239 1.131 1.00 0.00 C ATOM 1076 CG2 VAL A 73 1.314 -11.026 2.398 1.00 0.00 C ATOM 0 H VAL A 73 3.842 -11.056 4.660 1.00 0.00 H new ATOM 0 HA VAL A 73 3.919 -11.560 1.755 1.00 0.00 H new ATOM 0 HB VAL A 73 2.384 -9.393 3.250 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.589 -8.697 1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.354 -8.528 1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.666 -9.895 0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.390 -10.460 2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.419 -11.730 1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.283 -11.573 3.340 1.00 0.00 H new ATOM 1086 N GLY A 74 5.896 -10.077 1.593 1.00 0.00 N ATOM 1087 CA GLY A 74 7.046 -9.202 1.465 1.00 0.00 C ATOM 1088 C GLY A 74 6.833 -8.110 0.436 1.00 0.00 C ATOM 1089 O GLY A 74 7.338 -8.195 -0.684 1.00 0.00 O ATOM 0 H GLY A 74 5.860 -10.839 0.916 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.263 -8.748 2.432 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.919 -9.793 1.188 1.00 0.00 H new ATOM 1093 N VAL A 75 6.081 -7.081 0.814 1.00 0.00 N ATOM 1094 CA VAL A 75 5.801 -5.968 -0.085 1.00 0.00 C ATOM 1095 C VAL A 75 7.025 -5.075 -0.252 1.00 0.00 C ATOM 1096 O VAL A 75 7.833 -4.936 0.666 1.00 0.00 O ATOM 1097 CB VAL A 75 4.623 -5.117 0.425 1.00 0.00 C ATOM 1098 CG1 VAL A 75 4.347 -3.962 -0.526 1.00 0.00 C ATOM 1099 CG2 VAL A 75 3.382 -5.978 0.605 1.00 0.00 C ATOM 0 H VAL A 75 5.655 -6.995 1.737 1.00 0.00 H new ATOM 0 HA VAL A 75 5.536 -6.400 -1.050 1.00 0.00 H new ATOM 0 HB VAL A 75 4.892 -4.701 1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.512 -3.372 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.233 -3.331 -0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.099 -4.354 -1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.560 -5.360 0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.108 -6.425 -0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.588 -6.767 1.329 1.00 0.00 H new ATOM 1109 N GLN A 76 7.154 -4.471 -1.429 1.00 0.00 N ATOM 1110 CA GLN A 76 8.281 -3.590 -1.715 1.00 0.00 C ATOM 1111 C GLN A 76 7.868 -2.470 -2.664 1.00 0.00 C ATOM 1112 O GLN A 76 7.509 -2.717 -3.815 1.00 0.00 O ATOM 1113 CB GLN A 76 9.437 -4.387 -2.321 1.00 0.00 C ATOM 1114 CG GLN A 76 10.723 -3.587 -2.456 1.00 0.00 C ATOM 1115 CD GLN A 76 11.861 -4.405 -3.034 1.00 0.00 C ATOM 1116 OE1 GLN A 76 12.130 -5.519 -2.585 1.00 0.00 O ATOM 1117 NE2 GLN A 76 12.537 -3.854 -4.035 1.00 0.00 N ATOM 0 H GLN A 76 6.493 -4.575 -2.199 1.00 0.00 H new ATOM 0 HA GLN A 76 8.609 -3.144 -0.776 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.627 -5.263 -1.701 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.140 -4.751 -3.305 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.543 -2.721 -3.093 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.014 -3.207 -1.477 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.279 -2.928 -4.376 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.314 -4.357 -4.463 1.00 0.00 H new ATOM 1126 N VAL A 77 7.922 -1.235 -2.173 1.00 0.00 N ATOM 1127 CA VAL A 77 7.555 -0.076 -2.977 1.00 0.00 C ATOM 1128 C VAL A 77 8.763 0.482 -3.721 1.00 0.00 C ATOM 1129 O VAL A 77 9.781 0.815 -3.113 1.00 0.00 O ATOM 1130 CB VAL A 77 6.941 1.038 -2.108 1.00 0.00 C ATOM 1131 CG1 VAL A 77 5.545 0.649 -1.649 1.00 0.00 C ATOM 1132 CG2 VAL A 77 7.839 1.339 -0.917 1.00 0.00 C ATOM 0 H VAL A 77 8.217 -1.012 -1.222 1.00 0.00 H new ATOM 0 HA VAL A 77 6.812 -0.414 -3.699 1.00 0.00 H new ATOM 0 HB VAL A 77 6.860 1.943 -2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.128 1.448 -1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.908 0.488 -2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.597 -0.268 -1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.391 2.128 -0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.954 0.440 -0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.817 1.665 -1.272 1.00 0.00 H new ATOM 1142 N LEU A 78 8.644 0.582 -5.040 1.00 0.00 N ATOM 1143 CA LEU A 78 9.727 1.100 -5.869 1.00 0.00 C ATOM 1144 C LEU A 78 9.221 2.196 -6.802 1.00 0.00 C ATOM 1145 O LEU A 78 8.048 2.217 -7.173 1.00 0.00 O ATOM 1146 CB LEU A 78 10.357 -0.030 -6.685 1.00 0.00 C ATOM 1147 CG LEU A 78 11.696 0.289 -7.350 1.00 0.00 C ATOM 1148 CD1 LEU A 78 12.793 0.421 -6.304 1.00 0.00 C ATOM 1149 CD2 LEU A 78 12.055 -0.784 -8.368 1.00 0.00 C ATOM 0 H LEU A 78 7.809 0.311 -5.559 1.00 0.00 H new ATOM 0 HA LEU A 78 10.483 1.529 -5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.495 -0.891 -6.030 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.651 -0.329 -7.460 1.00 0.00 H new ATOM 0 HG LEU A 78 11.603 1.241 -7.872 1.00 0.00 H new ATOM 0 HD11 LEU A 78 13.739 0.648 -6.796 1.00 0.00 H new ATOM 0 HD12 LEU A 78 12.541 1.225 -5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.886 -0.515 -5.754 1.00 0.00 H new ATOM 0 HD21 LEU A 78 13.011 -0.541 -8.831 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.130 -1.750 -7.868 1.00 0.00 H new ATOM 0 HD23 LEU A 78 11.282 -0.831 -9.135 1.00 0.00 H new ATOM 1161 N ASP A 79 10.115 3.104 -7.179 1.00 0.00 N ATOM 1162 CA ASP A 79 9.761 4.201 -8.072 1.00 0.00 C ATOM 1163 C ASP A 79 10.010 3.819 -9.527 1.00 0.00 C ATOM 1164 O ASP A 79 11.150 3.819 -9.993 1.00 0.00 O ATOM 1165 CB ASP A 79 10.561 5.455 -7.716 1.00 0.00 C ATOM 1166 CG ASP A 79 9.825 6.732 -8.072 1.00 0.00 C ATOM 1167 OD1 ASP A 79 8.869 6.662 -8.872 1.00 0.00 O ATOM 1168 OD2 ASP A 79 10.206 7.801 -7.551 1.00 0.00 O ATOM 0 H ASP A 79 11.090 3.102 -6.880 1.00 0.00 H new ATOM 0 HA ASP A 79 8.699 4.410 -7.947 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.781 5.451 -6.648 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.517 5.433 -8.238 1.00 0.00 H new ATOM 1173 N ARG A 80 8.937 3.494 -10.241 1.00 0.00 N ATOM 1174 CA ARG A 80 9.040 3.108 -11.643 1.00 0.00 C ATOM 1175 C ARG A 80 8.676 4.275 -12.556 1.00 0.00 C ATOM 1176 O ARG A 80 9.223 4.416 -13.650 1.00 0.00 O ATOM 1177 CB ARG A 80 8.128 1.915 -11.934 1.00 0.00 C ATOM 1178 CG ARG A 80 6.648 2.235 -11.810 1.00 0.00 C ATOM 1179 CD ARG A 80 5.802 1.298 -12.658 1.00 0.00 C ATOM 1180 NE ARG A 80 5.586 1.823 -14.004 1.00 0.00 N ATOM 1181 CZ ARG A 80 5.258 1.065 -15.044 1.00 0.00 C ATOM 1182 NH1 ARG A 80 5.111 -0.244 -14.895 1.00 0.00 N ATOM 1183 NH2 ARG A 80 5.078 1.616 -16.238 1.00 0.00 N ATOM 0 H ARG A 80 7.986 3.490 -9.871 1.00 0.00 H new ATOM 0 HA ARG A 80 10.073 2.823 -11.841 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.329 1.552 -12.942 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.374 1.104 -11.248 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.344 2.157 -10.766 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.471 3.266 -12.117 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.291 0.326 -12.722 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.839 1.139 -12.172 1.00 0.00 H new ATOM 0 HE ARG A 80 5.693 2.826 -14.153 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.250 -0.672 -13.980 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.859 -0.823 -15.696 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.192 2.623 -16.358 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.826 1.033 -17.036 1.00 0.00 H new ATOM 1197 N LYS A 81 7.748 5.109 -12.100 1.00 0.00 N ATOM 1198 CA LYS A 81 7.309 6.265 -12.874 1.00 0.00 C ATOM 1199 C LYS A 81 7.902 7.553 -12.311 1.00 0.00 C ATOM 1200 O LYS A 81 8.214 7.636 -11.124 1.00 0.00 O ATOM 1201 CB LYS A 81 5.781 6.352 -12.877 1.00 0.00 C ATOM 1202 CG LYS A 81 5.249 7.664 -13.428 1.00 0.00 C ATOM 1203 CD LYS A 81 5.414 7.744 -14.936 1.00 0.00 C ATOM 1204 CE LYS A 81 4.946 9.085 -15.478 1.00 0.00 C ATOM 1205 NZ LYS A 81 3.461 9.188 -15.498 1.00 0.00 N ATOM 0 H LYS A 81 7.285 5.006 -11.197 1.00 0.00 H new ATOM 0 HA LYS A 81 7.661 6.141 -13.898 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.379 5.529 -13.469 1.00 0.00 H new ATOM 0 HB3 LYS A 81 5.416 6.220 -11.859 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.195 7.767 -13.171 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.774 8.496 -12.959 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.461 7.590 -15.197 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.847 6.942 -15.408 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.357 9.888 -14.866 1.00 0.00 H new ATOM 0 HE3 LYS A 81 5.333 9.224 -16.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.182 10.117 -15.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.069 8.438 -16.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.093 9.081 -14.531 1.00 0.00 H new ATOM 1219 N ASP A 82 8.052 8.554 -13.171 1.00 0.00 N ATOM 1220 CA ASP A 82 8.604 9.839 -12.759 1.00 0.00 C ATOM 1221 C ASP A 82 8.123 10.215 -11.361 1.00 0.00 C ATOM 1222 O ASP A 82 8.876 10.135 -10.392 1.00 0.00 O ATOM 1223 CB ASP A 82 8.213 10.930 -13.757 1.00 0.00 C ATOM 1224 CG ASP A 82 9.188 11.035 -14.913 1.00 0.00 C ATOM 1225 OD1 ASP A 82 10.233 11.699 -14.749 1.00 0.00 O ATOM 1226 OD2 ASP A 82 8.907 10.453 -15.982 1.00 0.00 O ATOM 0 H ASP A 82 7.799 8.500 -14.158 1.00 0.00 H new ATOM 0 HA ASP A 82 9.690 9.749 -12.738 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.216 10.723 -14.145 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.162 11.889 -13.241 1.00 0.00 H new ATOM 1231 N GLY A 83 6.862 10.626 -11.265 1.00 0.00 N ATOM 1232 CA GLY A 83 6.302 11.009 -9.982 1.00 0.00 C ATOM 1233 C GLY A 83 5.263 10.023 -9.486 1.00 0.00 C ATOM 1234 O GLY A 83 4.195 10.419 -9.019 1.00 0.00 O ATOM 0 H GLY A 83 6.218 10.701 -12.053 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.104 11.087 -9.248 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.850 11.997 -10.067 1.00 0.00 H new ATOM 1238 N SER A 84 5.575 8.735 -9.588 1.00 0.00 N ATOM 1239 CA SER A 84 4.657 7.689 -9.151 1.00 0.00 C ATOM 1240 C SER A 84 5.413 6.404 -8.827 1.00 0.00 C ATOM 1241 O SER A 84 6.394 6.064 -9.489 1.00 0.00 O ATOM 1242 CB SER A 84 3.607 7.419 -10.230 1.00 0.00 C ATOM 1243 OG SER A 84 2.481 8.265 -10.069 1.00 0.00 O ATOM 0 H SER A 84 6.456 8.391 -9.969 1.00 0.00 H new ATOM 0 HA SER A 84 4.156 8.033 -8.246 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.045 7.575 -11.216 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.292 6.376 -10.183 1.00 0.00 H new ATOM 0 HG SER A 84 2.767 9.121 -9.688 1.00 0.00 H new ATOM 1249 N PHE A 85 4.949 5.694 -7.804 1.00 0.00 N ATOM 1250 CA PHE A 85 5.580 4.446 -7.391 1.00 0.00 C ATOM 1251 C PHE A 85 4.674 3.254 -7.684 1.00 0.00 C ATOM 1252 O PHE A 85 3.459 3.403 -7.816 1.00 0.00 O ATOM 1253 CB PHE A 85 5.917 4.490 -5.899 1.00 0.00 C ATOM 1254 CG PHE A 85 7.104 5.353 -5.578 1.00 0.00 C ATOM 1255 CD1 PHE A 85 7.127 6.688 -5.946 1.00 0.00 C ATOM 1256 CD2 PHE A 85 8.197 4.828 -4.907 1.00 0.00 C ATOM 1257 CE1 PHE A 85 8.219 7.483 -5.653 1.00 0.00 C ATOM 1258 CE2 PHE A 85 9.291 5.619 -4.610 1.00 0.00 C ATOM 1259 CZ PHE A 85 9.301 6.949 -4.983 1.00 0.00 C ATOM 0 H PHE A 85 4.138 5.962 -7.246 1.00 0.00 H new ATOM 0 HA PHE A 85 6.501 4.328 -7.962 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.051 4.859 -5.350 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.109 3.476 -5.548 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.282 7.113 -6.468 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.194 3.789 -4.613 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.226 8.522 -5.948 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.137 5.198 -4.087 1.00 0.00 H new ATOM 0 HZ PHE A 85 10.154 7.570 -4.751 1.00 0.00 H new ATOM 1269 N ILE A 86 5.273 2.073 -7.784 1.00 0.00 N ATOM 1270 CA ILE A 86 4.521 0.856 -8.061 1.00 0.00 C ATOM 1271 C ILE A 86 4.787 -0.208 -7.001 1.00 0.00 C ATOM 1272 O ILE A 86 5.937 -0.544 -6.718 1.00 0.00 O ATOM 1273 CB ILE A 86 4.869 0.282 -9.447 1.00 0.00 C ATOM 1274 CG1 ILE A 86 4.020 -0.958 -9.738 1.00 0.00 C ATOM 1275 CG2 ILE A 86 6.350 -0.054 -9.525 1.00 0.00 C ATOM 1276 CD1 ILE A 86 4.263 -1.549 -11.108 1.00 0.00 C ATOM 0 H ILE A 86 6.278 1.933 -7.677 1.00 0.00 H new ATOM 0 HA ILE A 86 3.465 1.127 -8.044 1.00 0.00 H new ATOM 0 HB ILE A 86 4.647 1.036 -10.202 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.227 -1.716 -8.982 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.966 -0.696 -9.646 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.580 -0.459 -10.511 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.937 0.849 -9.357 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.596 -0.793 -8.763 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.628 -2.424 -11.245 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.028 -0.807 -11.871 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.309 -1.842 -11.197 1.00 0.00 H new ATOM 1288 N VAL A 87 3.715 -0.737 -6.419 1.00 0.00 N ATOM 1289 CA VAL A 87 3.832 -1.765 -5.392 1.00 0.00 C ATOM 1290 C VAL A 87 3.956 -3.151 -6.015 1.00 0.00 C ATOM 1291 O VAL A 87 3.237 -3.487 -6.956 1.00 0.00 O ATOM 1292 CB VAL A 87 2.621 -1.748 -4.441 1.00 0.00 C ATOM 1293 CG1 VAL A 87 2.755 -2.837 -3.387 1.00 0.00 C ATOM 1294 CG2 VAL A 87 2.473 -0.381 -3.792 1.00 0.00 C ATOM 0 H VAL A 87 2.756 -0.470 -6.641 1.00 0.00 H new ATOM 0 HA VAL A 87 4.735 -1.543 -4.823 1.00 0.00 H new ATOM 0 HB VAL A 87 1.721 -1.948 -5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.890 -2.810 -2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.808 -3.811 -3.874 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.663 -2.672 -2.807 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.612 -0.387 -3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.373 -0.149 -3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.327 0.374 -4.564 1.00 0.00 H new ATOM 1304 N ARG A 88 4.872 -3.953 -5.482 1.00 0.00 N ATOM 1305 CA ARG A 88 5.092 -5.304 -5.986 1.00 0.00 C ATOM 1306 C ARG A 88 5.275 -6.290 -4.836 1.00 0.00 C ATOM 1307 O ARG A 88 6.275 -6.243 -4.118 1.00 0.00 O ATOM 1308 CB ARG A 88 6.317 -5.337 -6.901 1.00 0.00 C ATOM 1309 CG ARG A 88 6.044 -4.820 -8.304 1.00 0.00 C ATOM 1310 CD ARG A 88 6.267 -3.318 -8.397 1.00 0.00 C ATOM 1311 NE ARG A 88 7.683 -2.969 -8.327 1.00 0.00 N ATOM 1312 CZ ARG A 88 8.551 -3.221 -9.300 1.00 0.00 C ATOM 1313 NH1 ARG A 88 8.150 -3.819 -10.413 1.00 0.00 N ATOM 1314 NH2 ARG A 88 9.824 -2.873 -9.161 1.00 0.00 N ATOM 0 H ARG A 88 5.474 -3.691 -4.701 1.00 0.00 H new ATOM 0 HA ARG A 88 4.212 -5.599 -6.558 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.112 -4.741 -6.452 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.684 -6.361 -6.966 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.695 -5.330 -9.014 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.018 -5.055 -8.586 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.848 -2.947 -9.332 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.731 -2.821 -7.588 1.00 0.00 H new ATOM 0 HE ARG A 88 8.024 -2.506 -7.485 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.172 -4.087 -10.524 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.819 -4.011 -11.158 1.00 0.00 H new ATOM 0 HH21 ARG A 88 10.136 -2.412 -8.307 1.00 0.00 H new ATOM 0 HH22 ARG A 88 10.490 -3.067 -9.909 1.00 0.00 H new ATOM 1328 N TYR A 89 4.305 -7.180 -4.667 1.00 0.00 N ATOM 1329 CA TYR A 89 4.358 -8.176 -3.602 1.00 0.00 C ATOM 1330 C TYR A 89 3.772 -9.505 -4.070 1.00 0.00 C ATOM 1331 O TYR A 89 2.921 -9.542 -4.958 1.00 0.00 O ATOM 1332 CB TYR A 89 3.600 -7.677 -2.371 1.00 0.00 C ATOM 1333 CG TYR A 89 2.097 -7.706 -2.532 1.00 0.00 C ATOM 1334 CD1 TYR A 89 1.429 -6.682 -3.191 1.00 0.00 C ATOM 1335 CD2 TYR A 89 1.344 -8.758 -2.023 1.00 0.00 C ATOM 1336 CE1 TYR A 89 0.055 -6.704 -3.340 1.00 0.00 C ATOM 1337 CE2 TYR A 89 -0.029 -8.789 -2.168 1.00 0.00 C ATOM 1338 CZ TYR A 89 -0.669 -7.760 -2.827 1.00 0.00 C ATOM 1339 OH TYR A 89 -2.037 -7.787 -2.973 1.00 0.00 O ATOM 0 H TYR A 89 3.472 -7.233 -5.253 1.00 0.00 H new ATOM 0 HA TYR A 89 5.404 -8.334 -3.338 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.877 -8.288 -1.512 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.914 -6.657 -2.151 1.00 0.00 H new ATOM 0 HD1 TYR A 89 1.993 -5.854 -3.594 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.841 -9.565 -1.505 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.449 -5.899 -3.855 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -0.599 -9.615 -1.768 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.394 -8.599 -2.556 1.00 0.00 H new ATOM 1349 N ARG A 90 4.235 -10.593 -3.464 1.00 0.00 N ATOM 1350 CA ARG A 90 3.758 -11.925 -3.817 1.00 0.00 C ATOM 1351 C ARG A 90 3.733 -12.836 -2.593 1.00 0.00 C ATOM 1352 O ARG A 90 4.585 -12.731 -1.712 1.00 0.00 O ATOM 1353 CB ARG A 90 4.646 -12.536 -4.903 1.00 0.00 C ATOM 1354 CG ARG A 90 6.113 -12.622 -4.513 1.00 0.00 C ATOM 1355 CD ARG A 90 6.431 -13.943 -3.828 1.00 0.00 C ATOM 1356 NE ARG A 90 7.858 -14.248 -3.865 1.00 0.00 N ATOM 1357 CZ ARG A 90 8.357 -15.459 -3.641 1.00 0.00 C ATOM 1358 NH1 ARG A 90 7.547 -16.472 -3.366 1.00 0.00 N ATOM 1359 NH2 ARG A 90 9.668 -15.658 -3.691 1.00 0.00 N ATOM 0 H ARG A 90 4.940 -10.579 -2.727 1.00 0.00 H new ATOM 0 HA ARG A 90 2.741 -11.830 -4.199 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.282 -13.536 -5.138 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.555 -11.942 -5.812 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.734 -12.513 -5.402 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.363 -11.796 -3.847 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.095 -13.904 -2.792 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.876 -14.746 -4.313 1.00 0.00 H new ATOM 0 HE ARG A 90 8.508 -13.490 -4.074 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.539 -16.323 -3.326 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.932 -17.401 -3.194 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.294 -14.881 -3.902 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.050 -16.588 -3.519 1.00 0.00 H new ATOM 1373 N MET A 91 2.749 -13.728 -2.546 1.00 0.00 N ATOM 1374 CA MET A 91 2.614 -14.658 -1.431 1.00 0.00 C ATOM 1375 C MET A 91 2.657 -16.102 -1.918 1.00 0.00 C ATOM 1376 O MET A 91 3.290 -16.958 -1.299 1.00 0.00 O ATOM 1377 CB MET A 91 1.306 -14.399 -0.680 1.00 0.00 C ATOM 1378 CG MET A 91 1.180 -15.191 0.612 1.00 0.00 C ATOM 1379 SD MET A 91 0.121 -14.378 1.824 1.00 0.00 S ATOM 1380 CE MET A 91 -1.497 -14.692 1.123 1.00 0.00 C ATOM 0 H MET A 91 2.034 -13.826 -3.267 1.00 0.00 H new ATOM 0 HA MET A 91 3.452 -14.498 -0.753 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.231 -13.335 -0.453 1.00 0.00 H new ATOM 0 HB3 MET A 91 0.468 -14.646 -1.331 1.00 0.00 H new ATOM 0 HG2 MET A 91 0.779 -16.180 0.390 1.00 0.00 H new ATOM 0 HG3 MET A 91 2.171 -15.338 1.042 1.00 0.00 H new ATOM 0 HE1 MET A 91 -2.019 -13.747 0.974 1.00 0.00 H new ATOM 0 HE2 MET A 91 -1.386 -15.200 0.165 1.00 0.00 H new ATOM 0 HE3 MET A 91 -2.072 -15.321 1.803 1.00 0.00 H new ATOM 1390 N TYR A 92 1.980 -16.367 -3.030 1.00 0.00 N ATOM 1391 CA TYR A 92 1.938 -17.709 -3.599 1.00 0.00 C ATOM 1392 C TYR A 92 1.400 -18.714 -2.585 1.00 0.00 C ATOM 1393 O TYR A 92 1.959 -19.797 -2.411 1.00 0.00 O ATOM 1394 CB TYR A 92 3.333 -18.132 -4.062 1.00 0.00 C ATOM 1395 CG TYR A 92 3.713 -17.584 -5.419 1.00 0.00 C ATOM 1396 CD1 TYR A 92 4.011 -16.238 -5.587 1.00 0.00 C ATOM 1397 CD2 TYR A 92 3.773 -18.413 -6.533 1.00 0.00 C ATOM 1398 CE1 TYR A 92 4.358 -15.732 -6.826 1.00 0.00 C ATOM 1399 CE2 TYR A 92 4.120 -17.916 -7.774 1.00 0.00 C ATOM 1400 CZ TYR A 92 4.411 -16.576 -7.916 1.00 0.00 C ATOM 1401 OH TYR A 92 4.756 -16.077 -9.151 1.00 0.00 O ATOM 0 H TYR A 92 1.453 -15.670 -3.555 1.00 0.00 H new ATOM 0 HA TYR A 92 1.267 -17.692 -4.457 1.00 0.00 H new ATOM 0 HB2 TYR A 92 4.067 -17.800 -3.327 1.00 0.00 H new ATOM 0 HB3 TYR A 92 3.382 -19.220 -4.092 1.00 0.00 H new ATOM 0 HD1 TYR A 92 3.971 -15.575 -4.735 1.00 0.00 H new ATOM 0 HD2 TYR A 92 3.545 -19.463 -6.426 1.00 0.00 H new ATOM 0 HE1 TYR A 92 4.586 -14.683 -6.940 1.00 0.00 H new ATOM 0 HE2 TYR A 92 4.163 -18.574 -8.629 1.00 0.00 H new ATOM 0 HH TYR A 92 4.747 -16.802 -9.811 1.00 0.00 H new ATOM 1411 N ALA A 93 0.310 -18.347 -1.919 1.00 0.00 N ATOM 1412 CA ALA A 93 -0.306 -19.216 -0.924 1.00 0.00 C ATOM 1413 C ALA A 93 -1.765 -18.837 -0.693 1.00 0.00 C ATOM 1414 O ALA A 93 -2.087 -17.667 -0.487 1.00 0.00 O ATOM 1415 CB ALA A 93 0.470 -19.156 0.383 1.00 0.00 C ATOM 0 H ALA A 93 -0.165 -17.454 -2.051 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.278 -20.238 -1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.002 -19.810 1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.496 -19.482 0.212 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.473 -18.133 0.758 1.00 0.00 H new ATOM 1421 N SER A 94 -2.644 -19.834 -0.730 1.00 0.00 N ATOM 1422 CA SER A 94 -4.069 -19.604 -0.529 1.00 0.00 C ATOM 1423 C SER A 94 -4.302 -18.485 0.482 1.00 0.00 C ATOM 1424 O SER A 94 -3.731 -18.491 1.573 1.00 0.00 O ATOM 1425 CB SER A 94 -4.752 -20.887 -0.053 1.00 0.00 C ATOM 1426 OG SER A 94 -5.173 -21.679 -1.150 1.00 0.00 O ATOM 0 H SER A 94 -2.394 -20.809 -0.897 1.00 0.00 H new ATOM 0 HA SER A 94 -4.501 -19.303 -1.483 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.064 -21.459 0.570 1.00 0.00 H new ATOM 0 HB3 SER A 94 -5.611 -20.636 0.569 1.00 0.00 H new ATOM 0 HG SER A 94 -5.605 -22.494 -0.819 1.00 0.00 H new ATOM 1432 N TYR A 95 -5.144 -17.527 0.111 1.00 0.00 N ATOM 1433 CA TYR A 95 -5.452 -16.400 0.983 1.00 0.00 C ATOM 1434 C TYR A 95 -6.958 -16.259 1.181 1.00 0.00 C ATOM 1435 O TYR A 95 -7.744 -16.534 0.275 1.00 0.00 O ATOM 1436 CB TYR A 95 -4.879 -15.107 0.401 1.00 0.00 C ATOM 1437 CG TYR A 95 -5.089 -14.970 -1.090 1.00 0.00 C ATOM 1438 CD1 TYR A 95 -4.212 -15.560 -1.992 1.00 0.00 C ATOM 1439 CD2 TYR A 95 -6.164 -14.250 -1.597 1.00 0.00 C ATOM 1440 CE1 TYR A 95 -4.399 -15.436 -3.355 1.00 0.00 C ATOM 1441 CE2 TYR A 95 -6.360 -14.123 -2.959 1.00 0.00 C ATOM 1442 CZ TYR A 95 -5.475 -14.717 -3.834 1.00 0.00 C ATOM 1443 OH TYR A 95 -5.666 -14.593 -5.191 1.00 0.00 O ATOM 0 H TYR A 95 -5.626 -17.508 -0.788 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.993 -16.588 1.954 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.339 -14.257 0.904 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.811 -15.064 0.615 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -3.370 -16.125 -1.621 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -6.858 -13.782 -0.915 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -3.707 -15.899 -4.042 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.202 -13.561 -3.336 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.797 -14.586 -5.644 1.00 0.00 H new ATOM 1453 N LYS A 96 -7.353 -15.828 2.374 1.00 0.00 N ATOM 1454 CA LYS A 96 -8.764 -15.648 2.694 1.00 0.00 C ATOM 1455 C LYS A 96 -9.175 -14.187 2.537 1.00 0.00 C ATOM 1456 O LYS A 96 -10.137 -13.876 1.836 1.00 0.00 O ATOM 1457 CB LYS A 96 -9.048 -16.117 4.123 1.00 0.00 C ATOM 1458 CG LYS A 96 -10.494 -16.522 4.354 1.00 0.00 C ATOM 1459 CD LYS A 96 -11.358 -15.324 4.710 1.00 0.00 C ATOM 1460 CE LYS A 96 -12.793 -15.738 4.999 1.00 0.00 C ATOM 1461 NZ LYS A 96 -13.471 -16.276 3.787 1.00 0.00 N ATOM 0 H LYS A 96 -6.715 -15.597 3.136 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.348 -16.249 1.997 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.401 -16.963 4.354 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -8.788 -15.318 4.817 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.886 -17.001 3.457 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.543 -17.258 5.156 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.941 -14.820 5.582 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.343 -14.607 3.889 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.802 -16.493 5.785 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.350 -14.880 5.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -14.484 -16.403 3.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.353 -15.609 2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.050 -17.192 3.532 1.00 0.00 H new ATOM 1475 N ASN A 97 -8.439 -13.296 3.192 1.00 0.00 N ATOM 1476 CA ASN A 97 -8.727 -11.868 3.123 1.00 0.00 C ATOM 1477 C ASN A 97 -7.439 -11.051 3.147 1.00 0.00 C ATOM 1478 O ASN A 97 -6.605 -11.212 4.039 1.00 0.00 O ATOM 1479 CB ASN A 97 -9.629 -11.452 4.287 1.00 0.00 C ATOM 1480 CG ASN A 97 -11.102 -11.589 3.954 1.00 0.00 C ATOM 1481 OD1 ASN A 97 -11.469 -12.207 2.955 1.00 0.00 O ATOM 1482 ND2 ASN A 97 -11.954 -11.011 4.793 1.00 0.00 N ATOM 0 H ASN A 97 -7.639 -13.537 3.777 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.243 -11.672 2.183 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -9.398 -12.064 5.159 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -9.415 -10.418 4.557 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -12.958 -11.069 4.621 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.605 -10.509 5.609 1.00 0.00 H new ATOM 1489 N LEU A 98 -7.282 -10.175 2.161 1.00 0.00 N ATOM 1490 CA LEU A 98 -6.096 -9.332 2.068 1.00 0.00 C ATOM 1491 C LEU A 98 -6.439 -7.874 2.358 1.00 0.00 C ATOM 1492 O LEU A 98 -7.342 -7.304 1.745 1.00 0.00 O ATOM 1493 CB LEU A 98 -5.468 -9.452 0.678 1.00 0.00 C ATOM 1494 CG LEU A 98 -4.406 -10.540 0.513 1.00 0.00 C ATOM 1495 CD1 LEU A 98 -3.025 -9.992 0.840 1.00 0.00 C ATOM 1496 CD2 LEU A 98 -4.728 -11.738 1.395 1.00 0.00 C ATOM 0 H LEU A 98 -7.962 -10.030 1.414 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.379 -9.673 2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.264 -9.637 -0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.020 -8.493 0.420 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.408 -10.868 -0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.282 -10.780 0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.793 -9.166 0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.009 -9.636 1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.962 -12.502 1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.754 -11.425 2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.699 -12.146 1.114 1.00 0.00 H new ATOM 1508 N LYS A 99 -5.712 -7.276 3.296 1.00 0.00 N ATOM 1509 CA LYS A 99 -5.937 -5.884 3.666 1.00 0.00 C ATOM 1510 C LYS A 99 -4.730 -5.024 3.306 1.00 0.00 C ATOM 1511 O LYS A 99 -3.624 -5.249 3.799 1.00 0.00 O ATOM 1512 CB LYS A 99 -6.226 -5.773 5.165 1.00 0.00 C ATOM 1513 CG LYS A 99 -6.537 -4.359 5.622 1.00 0.00 C ATOM 1514 CD LYS A 99 -6.169 -4.151 7.082 1.00 0.00 C ATOM 1515 CE LYS A 99 -7.101 -4.920 8.006 1.00 0.00 C ATOM 1516 NZ LYS A 99 -6.776 -4.687 9.440 1.00 0.00 N ATOM 0 H LYS A 99 -4.962 -7.734 3.814 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.800 -5.521 3.108 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.068 -6.419 5.413 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.365 -6.144 5.721 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.991 -3.647 5.003 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.598 -4.155 5.481 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.141 -4.474 7.249 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.212 -3.089 7.322 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.131 -4.621 7.814 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.032 -5.985 7.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.433 -5.228 10.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.801 -4.996 9.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.866 -3.674 9.656 1.00 0.00 H new ATOM 1530 N VAL A 100 -4.949 -4.036 2.444 1.00 0.00 N ATOM 1531 CA VAL A 100 -3.879 -3.140 2.019 1.00 0.00 C ATOM 1532 C VAL A 100 -3.781 -1.928 2.939 1.00 0.00 C ATOM 1533 O VAL A 100 -4.795 -1.368 3.354 1.00 0.00 O ATOM 1534 CB VAL A 100 -4.092 -2.657 0.572 1.00 0.00 C ATOM 1535 CG1 VAL A 100 -2.873 -1.892 0.080 1.00 0.00 C ATOM 1536 CG2 VAL A 100 -4.398 -3.834 -0.342 1.00 0.00 C ATOM 0 H VAL A 100 -5.858 -3.836 2.026 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.950 -3.708 2.070 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.947 -1.981 0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.042 -1.559 -0.944 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.704 -1.026 0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.999 -2.542 0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.546 -3.475 -1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -3.565 -4.536 -0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.303 -4.335 0.001 1.00 0.00 H new ATOM 1546 N GLU A 101 -2.552 -1.528 3.252 1.00 0.00 N ATOM 1547 CA GLU A 101 -2.322 -0.381 4.123 1.00 0.00 C ATOM 1548 C GLU A 101 -1.218 0.512 3.566 1.00 0.00 C ATOM 1549 O GLU A 101 -0.157 0.031 3.166 1.00 0.00 O ATOM 1550 CB GLU A 101 -1.951 -0.849 5.532 1.00 0.00 C ATOM 1551 CG GLU A 101 -3.155 -1.164 6.405 1.00 0.00 C ATOM 1552 CD GLU A 101 -2.762 -1.664 7.782 1.00 0.00 C ATOM 1553 OE1 GLU A 101 -2.539 -2.884 7.929 1.00 0.00 O ATOM 1554 OE2 GLU A 101 -2.677 -0.835 8.712 1.00 0.00 O ATOM 0 H GLU A 101 -1.702 -1.980 2.916 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.245 0.197 4.171 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.324 -1.738 5.457 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.353 -0.077 6.017 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.768 -0.269 6.509 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.770 -1.916 5.911 1.00 0.00 H new ATOM 1561 N ILE A 102 -1.476 1.816 3.541 1.00 0.00 N ATOM 1562 CA ILE A 102 -0.505 2.777 3.033 1.00 0.00 C ATOM 1563 C ILE A 102 -0.393 3.986 3.956 1.00 0.00 C ATOM 1564 O ILE A 102 -1.309 4.805 4.038 1.00 0.00 O ATOM 1565 CB ILE A 102 -0.876 3.258 1.618 1.00 0.00 C ATOM 1566 CG1 ILE A 102 -1.165 2.062 0.708 1.00 0.00 C ATOM 1567 CG2 ILE A 102 0.241 4.113 1.039 1.00 0.00 C ATOM 1568 CD1 ILE A 102 -2.610 1.616 0.736 1.00 0.00 C ATOM 0 H ILE A 102 -2.349 2.231 3.867 1.00 0.00 H new ATOM 0 HA ILE A 102 0.456 2.263 2.993 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.777 3.868 1.683 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -0.893 2.320 -0.315 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.530 1.228 1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.036 4.445 0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.403 4.981 1.678 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.158 3.526 0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -2.741 0.765 0.068 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.882 1.326 1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.250 2.436 0.409 1.00 0.00 H new ATOM 1580 N LYS A 103 0.736 4.092 4.648 1.00 0.00 N ATOM 1581 CA LYS A 103 0.970 5.202 5.564 1.00 0.00 C ATOM 1582 C LYS A 103 2.345 5.821 5.328 1.00 0.00 C ATOM 1583 O LYS A 103 3.215 5.207 4.711 1.00 0.00 O ATOM 1584 CB LYS A 103 0.855 4.728 7.014 1.00 0.00 C ATOM 1585 CG LYS A 103 -0.464 4.042 7.326 1.00 0.00 C ATOM 1586 CD LYS A 103 -0.413 2.559 6.998 1.00 0.00 C ATOM 1587 CE LYS A 103 0.091 1.744 8.180 1.00 0.00 C ATOM 1588 NZ LYS A 103 1.572 1.586 8.152 1.00 0.00 N ATOM 0 H LYS A 103 1.504 3.423 4.592 1.00 0.00 H new ATOM 0 HA LYS A 103 0.211 5.961 5.376 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.673 4.040 7.229 1.00 0.00 H new ATOM 0 HB3 LYS A 103 0.976 5.584 7.678 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.703 4.174 8.381 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -1.264 4.514 6.756 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -1.407 2.214 6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.238 2.397 6.139 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.205 2.230 9.109 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.380 0.761 8.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.838 0.718 8.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 1.896 1.524 7.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.017 2.406 8.612 1.00 0.00 H new ATOM 1602 N PHE A 104 2.534 7.039 5.825 1.00 0.00 N ATOM 1603 CA PHE A 104 3.803 7.740 5.669 1.00 0.00 C ATOM 1604 C PHE A 104 4.117 8.578 6.905 1.00 0.00 C ATOM 1605 O PHE A 104 3.389 9.515 7.232 1.00 0.00 O ATOM 1606 CB PHE A 104 3.767 8.634 4.428 1.00 0.00 C ATOM 1607 CG PHE A 104 4.679 9.823 4.519 1.00 0.00 C ATOM 1608 CD1 PHE A 104 6.044 9.683 4.328 1.00 0.00 C ATOM 1609 CD2 PHE A 104 4.171 11.082 4.797 1.00 0.00 C ATOM 1610 CE1 PHE A 104 6.886 10.775 4.411 1.00 0.00 C ATOM 1611 CE2 PHE A 104 5.008 12.179 4.881 1.00 0.00 C ATOM 1612 CZ PHE A 104 6.368 12.025 4.689 1.00 0.00 C ATOM 0 H PHE A 104 1.824 7.561 6.339 1.00 0.00 H new ATOM 0 HA PHE A 104 4.589 6.994 5.548 1.00 0.00 H new ATOM 0 HB2 PHE A 104 4.042 8.042 3.555 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.746 8.981 4.269 1.00 0.00 H new ATOM 0 HD1 PHE A 104 6.455 8.708 4.112 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.109 11.208 4.950 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.948 10.652 4.259 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.600 13.155 5.096 1.00 0.00 H new ATOM 0 HZ PHE A 104 7.024 12.880 4.756 1.00 0.00 H new ATOM 1622 N GLN A 105 5.205 8.233 7.586 1.00 0.00 N ATOM 1623 CA GLN A 105 5.614 8.953 8.786 1.00 0.00 C ATOM 1624 C GLN A 105 4.508 8.934 9.836 1.00 0.00 C ATOM 1625 O GLN A 105 4.395 9.850 10.650 1.00 0.00 O ATOM 1626 CB GLN A 105 5.981 10.397 8.440 1.00 0.00 C ATOM 1627 CG GLN A 105 7.193 10.516 7.530 1.00 0.00 C ATOM 1628 CD GLN A 105 8.494 10.615 8.301 1.00 0.00 C ATOM 1629 OE1 GLN A 105 8.511 11.016 9.464 1.00 0.00 O ATOM 1630 NE2 GLN A 105 9.595 10.248 7.654 1.00 0.00 N ATOM 0 H GLN A 105 5.818 7.460 7.328 1.00 0.00 H new ATOM 0 HA GLN A 105 6.490 8.452 9.199 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.128 10.875 7.959 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.174 10.945 9.362 1.00 0.00 H new ATOM 0 HG2 GLN A 105 7.232 9.651 6.868 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.082 11.396 6.897 1.00 0.00 H new ATOM 0 HE21 GLN A 105 9.535 9.921 6.690 1.00 0.00 H new ATOM 0 HE22 GLN A 105 10.500 10.293 8.122 1.00 0.00 H new ATOM 1639 N GLY A 106 3.693 7.884 9.811 1.00 0.00 N ATOM 1640 CA GLY A 106 2.606 7.766 10.766 1.00 0.00 C ATOM 1641 C GLY A 106 1.381 8.555 10.349 1.00 0.00 C ATOM 1642 O GLY A 106 0.633 9.044 11.195 1.00 0.00 O ATOM 0 H GLY A 106 3.766 7.113 9.147 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.337 6.716 10.878 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.944 8.114 11.742 1.00 0.00 H new ATOM 1646 N GLN A 107 1.175 8.680 9.042 1.00 0.00 N ATOM 1647 CA GLN A 107 0.033 9.417 8.515 1.00 0.00 C ATOM 1648 C GLN A 107 -0.504 8.758 7.249 1.00 0.00 C ATOM 1649 O GLN A 107 0.189 8.683 6.234 1.00 0.00 O ATOM 1650 CB GLN A 107 0.425 10.866 8.223 1.00 0.00 C ATOM 1651 CG GLN A 107 0.672 11.694 9.474 1.00 0.00 C ATOM 1652 CD GLN A 107 1.362 13.011 9.176 1.00 0.00 C ATOM 1653 OE1 GLN A 107 0.708 14.031 8.956 1.00 0.00 O ATOM 1654 NE2 GLN A 107 2.689 12.995 9.167 1.00 0.00 N ATOM 0 H GLN A 107 1.784 8.280 8.328 1.00 0.00 H new ATOM 0 HA GLN A 107 -0.754 9.406 9.270 1.00 0.00 H new ATOM 0 HB2 GLN A 107 1.326 10.873 7.609 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.364 11.336 7.636 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -0.279 11.890 9.969 1.00 0.00 H new ATOM 0 HG3 GLN A 107 1.281 11.119 10.171 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.190 12.127 9.355 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.208 13.851 8.972 1.00 0.00 H new ATOM 1663 N HIS A 108 -1.742 8.280 7.316 1.00 0.00 N ATOM 1664 CA HIS A 108 -2.372 7.627 6.174 1.00 0.00 C ATOM 1665 C HIS A 108 -2.393 8.553 4.961 1.00 0.00 C ATOM 1666 O HIS A 108 -2.368 9.776 5.101 1.00 0.00 O ATOM 1667 CB HIS A 108 -3.797 7.198 6.527 1.00 0.00 C ATOM 1668 CG HIS A 108 -3.858 5.983 7.401 1.00 0.00 C ATOM 1669 ND1 HIS A 108 -3.982 4.703 6.903 1.00 0.00 N ATOM 1670 CD2 HIS A 108 -3.808 5.859 8.748 1.00 0.00 C ATOM 1671 CE1 HIS A 108 -4.009 3.844 7.907 1.00 0.00 C ATOM 1672 NE2 HIS A 108 -3.904 4.520 9.037 1.00 0.00 N ATOM 0 H HIS A 108 -2.329 8.332 8.149 1.00 0.00 H new ATOM 0 HA HIS A 108 -1.785 6.743 5.924 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.302 8.023 7.030 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -4.347 7.001 5.607 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -3.711 6.663 9.462 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -4.101 2.772 7.819 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -3.896 4.113 9.972 1.00 0.00 H new ATOM 1681 N VAL A 109 -2.438 7.961 3.772 1.00 0.00 N ATOM 1682 CA VAL A 109 -2.462 8.733 2.535 1.00 0.00 C ATOM 1683 C VAL A 109 -3.806 8.597 1.828 1.00 0.00 C ATOM 1684 O VAL A 109 -4.266 9.525 1.164 1.00 0.00 O ATOM 1685 CB VAL A 109 -1.342 8.289 1.575 1.00 0.00 C ATOM 1686 CG1 VAL A 109 -1.335 9.157 0.325 1.00 0.00 C ATOM 1687 CG2 VAL A 109 0.008 8.335 2.274 1.00 0.00 C ATOM 0 H VAL A 109 -2.459 6.950 3.639 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.303 9.776 2.809 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.533 7.260 1.272 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.537 8.829 -0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.294 9.068 -0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.169 10.197 0.605 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.787 8.018 1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.211 9.353 2.607 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -0.005 7.667 3.135 1.00 0.00 H new ATOM 1697 N ALA A 110 -4.431 7.433 1.977 1.00 0.00 N ATOM 1698 CA ALA A 110 -5.724 7.176 1.355 1.00 0.00 C ATOM 1699 C ALA A 110 -6.745 6.706 2.386 1.00 0.00 C ATOM 1700 O ALA A 110 -6.475 6.706 3.587 1.00 0.00 O ATOM 1701 CB ALA A 110 -5.580 6.147 0.244 1.00 0.00 C ATOM 0 H ALA A 110 -4.063 6.654 2.523 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.085 8.110 0.925 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.553 5.965 -0.212 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.890 6.522 -0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.193 5.216 0.658 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.919 6.307 1.909 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.982 5.834 2.788 1.00 0.00 C ATOM 1709 C LYS A 111 -8.476 4.725 3.705 1.00 0.00 C ATOM 1710 O LYS A 111 -9.129 4.372 4.687 1.00 0.00 O ATOM 1711 CB LYS A 111 -10.167 5.327 1.963 1.00 0.00 C ATOM 1712 CG LYS A 111 -11.108 6.429 1.509 1.00 0.00 C ATOM 1713 CD LYS A 111 -12.154 6.740 2.566 1.00 0.00 C ATOM 1714 CE LYS A 111 -11.592 7.635 3.660 1.00 0.00 C ATOM 1715 NZ LYS A 111 -12.652 8.466 4.296 1.00 0.00 N ATOM 0 H LYS A 111 -8.159 6.302 0.918 1.00 0.00 H new ATOM 0 HA LYS A 111 -9.309 6.671 3.405 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -9.790 4.799 1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.727 4.603 2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -10.535 7.329 1.287 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -11.602 6.129 0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -13.010 7.227 2.100 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -12.517 5.811 3.005 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -11.108 7.020 4.419 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -10.825 8.285 3.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -12.229 9.062 5.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -13.097 9.071 3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -13.371 7.846 4.720 1.00 0.00 H new ATOM 1729 N SER A 112 -7.307 4.182 3.380 1.00 0.00 N ATOM 1730 CA SER A 112 -6.715 3.111 4.173 1.00 0.00 C ATOM 1731 C SER A 112 -7.019 3.302 5.656 1.00 0.00 C ATOM 1732 O SER A 112 -7.234 4.417 6.134 1.00 0.00 O ATOM 1733 CB SER A 112 -5.201 3.063 3.954 1.00 0.00 C ATOM 1734 OG SER A 112 -4.530 2.626 5.123 1.00 0.00 O ATOM 0 H SER A 112 -6.751 4.466 2.573 1.00 0.00 H new ATOM 0 HA SER A 112 -7.153 2.167 3.848 1.00 0.00 H new ATOM 0 HB2 SER A 112 -4.971 2.392 3.127 1.00 0.00 H new ATOM 0 HB3 SER A 112 -4.840 4.052 3.672 1.00 0.00 H new ATOM 0 HG SER A 112 -4.072 3.385 5.540 1.00 0.00 H new ATOM 1740 N PRO A 113 -7.038 2.189 6.404 1.00 0.00 N ATOM 1741 CA PRO A 113 -6.784 0.857 5.846 1.00 0.00 C ATOM 1742 C PRO A 113 -7.914 0.384 4.938 1.00 0.00 C ATOM 1743 O PRO A 113 -9.090 0.606 5.226 1.00 0.00 O ATOM 1744 CB PRO A 113 -6.687 -0.034 7.087 1.00 0.00 C ATOM 1745 CG PRO A 113 -7.483 0.676 8.127 1.00 0.00 C ATOM 1746 CD PRO A 113 -7.309 2.144 7.850 1.00 0.00 C ATOM 0 HA PRO A 113 -5.891 0.840 5.221 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.088 -1.029 6.892 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -5.651 -0.164 7.401 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.534 0.391 8.076 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.132 0.423 9.127 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.204 2.710 8.109 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.486 2.567 8.426 1.00 0.00 H new ATOM 1754 N TYR A 114 -7.550 -0.269 3.840 1.00 0.00 N ATOM 1755 CA TYR A 114 -8.533 -0.772 2.888 1.00 0.00 C ATOM 1756 C TYR A 114 -8.919 -2.212 3.212 1.00 0.00 C ATOM 1757 O TYR A 114 -8.056 -3.070 3.399 1.00 0.00 O ATOM 1758 CB TYR A 114 -7.983 -0.688 1.463 1.00 0.00 C ATOM 1759 CG TYR A 114 -8.047 0.701 0.870 1.00 0.00 C ATOM 1760 CD1 TYR A 114 -9.261 1.265 0.499 1.00 0.00 C ATOM 1761 CD2 TYR A 114 -6.892 1.450 0.680 1.00 0.00 C ATOM 1762 CE1 TYR A 114 -9.324 2.534 -0.043 1.00 0.00 C ATOM 1763 CE2 TYR A 114 -6.945 2.721 0.140 1.00 0.00 C ATOM 1764 CZ TYR A 114 -8.164 3.258 -0.221 1.00 0.00 C ATOM 1765 OH TYR A 114 -8.221 4.522 -0.760 1.00 0.00 O ATOM 0 H TYR A 114 -6.581 -0.462 3.587 1.00 0.00 H new ATOM 0 HA TYR A 114 -9.425 -0.150 2.964 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -6.947 -1.027 1.462 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -8.543 -1.372 0.826 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -10.172 0.701 0.637 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -5.936 1.032 0.959 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -10.277 2.957 -0.326 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -6.038 3.291 0.001 1.00 0.00 H new ATOM 0 HH TYR A 114 -9.097 4.661 -1.177 1.00 0.00 H new ATOM 1775 N ILE A 115 -10.221 -2.468 3.277 1.00 0.00 N ATOM 1776 CA ILE A 115 -10.722 -3.804 3.577 1.00 0.00 C ATOM 1777 C ILE A 115 -11.390 -4.427 2.356 1.00 0.00 C ATOM 1778 O ILE A 115 -12.482 -4.020 1.956 1.00 0.00 O ATOM 1779 CB ILE A 115 -11.729 -3.779 4.742 1.00 0.00 C ATOM 1780 CG1 ILE A 115 -11.157 -2.990 5.922 1.00 0.00 C ATOM 1781 CG2 ILE A 115 -12.082 -5.196 5.167 1.00 0.00 C ATOM 1782 CD1 ILE A 115 -9.922 -3.618 6.527 1.00 0.00 C ATOM 0 H ILE A 115 -10.948 -1.769 3.126 1.00 0.00 H new ATOM 0 HA ILE A 115 -9.861 -4.407 3.865 1.00 0.00 H new ATOM 0 HB ILE A 115 -12.640 -3.284 4.405 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -10.916 -1.980 5.590 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -11.923 -2.898 6.692 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -12.795 -5.162 5.991 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -12.526 -5.728 4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -11.179 -5.715 5.489 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -9.572 -3.005 7.358 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -10.162 -4.617 6.890 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.140 -3.685 5.771 1.00 0.00 H new ATOM 1794 N LEU A 116 -10.729 -5.418 1.769 1.00 0.00 N ATOM 1795 CA LEU A 116 -11.259 -6.101 0.593 1.00 0.00 C ATOM 1796 C LEU A 116 -11.193 -7.615 0.767 1.00 0.00 C ATOM 1797 O LEU A 116 -10.131 -8.173 1.045 1.00 0.00 O ATOM 1798 CB LEU A 116 -10.481 -5.685 -0.657 1.00 0.00 C ATOM 1799 CG LEU A 116 -10.262 -4.183 -0.842 1.00 0.00 C ATOM 1800 CD1 LEU A 116 -8.966 -3.747 -0.176 1.00 0.00 C ATOM 1801 CD2 LEU A 116 -10.251 -3.823 -2.320 1.00 0.00 C ATOM 0 H LEU A 116 -9.825 -5.767 2.088 1.00 0.00 H new ATOM 0 HA LEU A 116 -12.304 -5.812 0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -9.507 -6.174 -0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.008 -6.066 -1.532 1.00 0.00 H new ATOM 0 HG LEU A 116 -11.088 -3.654 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -8.827 -2.675 -0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.012 -3.969 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.129 -4.284 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -10.094 -2.750 -2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -9.446 -4.362 -2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -11.205 -4.099 -2.769 1.00 0.00 H new ATOM 1813 N LYS A 117 -12.334 -8.275 0.598 1.00 0.00 N ATOM 1814 CA LYS A 117 -12.406 -9.725 0.733 1.00 0.00 C ATOM 1815 C LYS A 117 -13.030 -10.355 -0.508 1.00 0.00 C ATOM 1816 O LYS A 117 -12.603 -11.417 -0.958 1.00 0.00 O ATOM 1817 CB LYS A 117 -13.218 -10.103 1.973 1.00 0.00 C ATOM 1818 CG LYS A 117 -14.623 -9.525 1.980 1.00 0.00 C ATOM 1819 CD LYS A 117 -15.115 -9.272 3.395 1.00 0.00 C ATOM 1820 CE LYS A 117 -14.758 -7.871 3.867 1.00 0.00 C ATOM 1821 NZ LYS A 117 -15.758 -6.863 3.419 1.00 0.00 N ATOM 0 H LYS A 117 -13.222 -7.828 0.367 1.00 0.00 H new ATOM 0 HA LYS A 117 -11.391 -10.106 0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -13.281 -11.189 2.039 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -12.689 -9.760 2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -14.636 -8.592 1.417 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -15.302 -10.212 1.475 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -16.196 -9.406 3.435 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -14.677 -10.007 4.070 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -14.694 -7.860 4.955 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -13.773 -7.600 3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -15.479 -5.921 3.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -15.802 -6.855 2.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -16.693 -7.107 3.803 1.00 0.00 H new ATOM 1835 N GLY A 118 -14.044 -9.693 -1.057 1.00 0.00 N ATOM 1836 CA GLY A 118 -14.709 -10.203 -2.242 1.00 0.00 C ATOM 1837 C GLY A 118 -16.217 -10.067 -2.164 1.00 0.00 C ATOM 1838 O GLY A 118 -16.903 -10.965 -1.677 1.00 0.00 O ATOM 0 H GLY A 118 -14.417 -8.812 -0.702 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -14.344 -9.668 -3.119 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -14.448 -11.253 -2.378 1.00 0.00 H new ATOM 1842 N SER A 119 -16.733 -8.940 -2.644 1.00 0.00 N ATOM 1843 CA SER A 119 -18.169 -8.687 -2.621 1.00 0.00 C ATOM 1844 C SER A 119 -18.863 -9.395 -3.780 1.00 0.00 C ATOM 1845 O SER A 119 -19.240 -8.768 -4.770 1.00 0.00 O ATOM 1846 CB SER A 119 -18.444 -7.184 -2.688 1.00 0.00 C ATOM 1847 OG SER A 119 -19.810 -6.904 -2.433 1.00 0.00 O ATOM 0 H SER A 119 -16.179 -8.188 -3.053 1.00 0.00 H new ATOM 0 HA SER A 119 -18.568 -9.081 -1.686 1.00 0.00 H new ATOM 0 HB2 SER A 119 -17.821 -6.664 -1.960 1.00 0.00 H new ATOM 0 HB3 SER A 119 -18.169 -6.804 -3.672 1.00 0.00 H new ATOM 0 HG SER A 119 -19.960 -5.937 -2.480 1.00 0.00 H new ATOM 1853 N GLY A 120 -19.029 -10.708 -3.650 1.00 0.00 N ATOM 1854 CA GLY A 120 -19.678 -11.481 -4.693 1.00 0.00 C ATOM 1855 C GLY A 120 -18.742 -11.808 -5.839 1.00 0.00 C ATOM 1856 O GLY A 120 -17.592 -11.370 -5.874 1.00 0.00 O ATOM 0 H GLY A 120 -18.726 -11.250 -2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -20.064 -12.407 -4.268 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -20.534 -10.924 -5.074 1.00 0.00 H new ATOM 1860 N PRO A 121 -19.235 -12.598 -6.804 1.00 0.00 N ATOM 1861 CA PRO A 121 -18.450 -13.002 -7.975 1.00 0.00 C ATOM 1862 C PRO A 121 -18.187 -11.840 -8.926 1.00 0.00 C ATOM 1863 O PRO A 121 -18.756 -10.759 -8.772 1.00 0.00 O ATOM 1864 CB PRO A 121 -19.335 -14.054 -8.649 1.00 0.00 C ATOM 1865 CG PRO A 121 -20.720 -13.717 -8.218 1.00 0.00 C ATOM 1866 CD PRO A 121 -20.597 -13.158 -6.828 1.00 0.00 C ATOM 0 HA PRO A 121 -17.463 -13.370 -7.696 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -19.238 -14.016 -9.734 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -19.058 -15.062 -8.339 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -21.172 -12.990 -8.892 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -21.358 -14.601 -8.228 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -21.349 -12.393 -6.635 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -20.727 -13.931 -6.071 1.00 0.00 H new ATOM 1874 N SER A 122 -17.322 -12.069 -9.908 1.00 0.00 N ATOM 1875 CA SER A 122 -16.981 -11.039 -10.883 1.00 0.00 C ATOM 1876 C SER A 122 -18.204 -10.641 -11.703 1.00 0.00 C ATOM 1877 O SER A 122 -18.606 -11.352 -12.623 1.00 0.00 O ATOM 1878 CB SER A 122 -15.869 -11.533 -11.810 1.00 0.00 C ATOM 1879 OG SER A 122 -15.457 -10.511 -12.701 1.00 0.00 O ATOM 0 H SER A 122 -16.844 -12.959 -10.050 1.00 0.00 H new ATOM 0 HA SER A 122 -16.629 -10.162 -10.340 1.00 0.00 H new ATOM 0 HB2 SER A 122 -15.018 -11.867 -11.216 1.00 0.00 H new ATOM 0 HB3 SER A 122 -16.220 -12.395 -12.377 1.00 0.00 H new ATOM 0 HG SER A 122 -14.745 -10.851 -13.282 1.00 0.00 H new ATOM 1885 N SER A 123 -18.791 -9.498 -11.362 1.00 0.00 N ATOM 1886 CA SER A 123 -19.971 -9.006 -12.064 1.00 0.00 C ATOM 1887 C SER A 123 -19.717 -7.618 -12.645 1.00 0.00 C ATOM 1888 O SER A 123 -18.853 -6.883 -12.171 1.00 0.00 O ATOM 1889 CB SER A 123 -21.172 -8.963 -11.117 1.00 0.00 C ATOM 1890 OG SER A 123 -20.880 -8.204 -9.957 1.00 0.00 O ATOM 0 H SER A 123 -18.469 -8.896 -10.604 1.00 0.00 H new ATOM 0 HA SER A 123 -20.188 -9.690 -12.884 1.00 0.00 H new ATOM 0 HB2 SER A 123 -22.030 -8.530 -11.632 1.00 0.00 H new ATOM 0 HB3 SER A 123 -21.450 -9.977 -10.831 1.00 0.00 H new ATOM 0 HG SER A 123 -21.664 -8.190 -9.369 1.00 0.00 H new ATOM 1896 N GLY A 124 -20.479 -7.268 -13.677 1.00 0.00 N ATOM 1897 CA GLY A 124 -20.322 -5.970 -14.308 1.00 0.00 C ATOM 1898 C GLY A 124 -18.870 -5.551 -14.418 1.00 0.00 C ATOM 1899 O GLY A 124 -18.370 -5.302 -15.515 1.00 0.00 O ATOM 0 H GLY A 124 -21.202 -7.860 -14.087 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -20.765 -5.997 -15.303 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -20.870 -5.222 -13.735 1.00 0.00 H new TER 1903 GLY A 124