USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 669 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 38 TYR OH : rot 179:sc= 0.327 USER MOD Set 1.2: A 84 GLN : amide:sc= 0.307 K(o=0.63,f=-0.081) USER MOD Set 2.1: A 57 MET CE :methyl 170:sc= -0.685 (180deg=-1.13) USER MOD Set 2.2: A 65 CYS SG : rot -59:sc= 0.0106 USER MOD Single : A 1 GLY N :NH3+ 169:sc= -0.0163 (180deg=-0.159) USER MOD Single : A 2 SER OG : rot 43:sc= 0.0617 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -91:sc= 0.0845 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.215 K(o=-0.21,f=-1.1) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -1.62 X(o=-1.6,f=-1.9) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -2.61! C(o=-2.6!,f=-6.6!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot -30:sc= -0.891 USER MOD Single : A 48 SER OG : rot -44:sc= 0.205 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 35:sc= 0.578 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 130:sc= -1.07 USER MOD Single : A 64 ASN : amide:sc= -0.234 K(o=-0.23,f=-1.4!) USER MOD Single : A 80 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.3) USER MOD Single : A 82 HIS : no HD1:sc= -0.514 X(o=-0.51,f=-0.47) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.00217 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc=0.000257 USER MOD Single : A 92 SER OG : rot 69:sc= 0.487 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.037 21.014 3.716 1.00 0.00 N ATOM 2 CA GLY A 1 31.206 20.213 4.914 1.00 0.00 C ATOM 3 C GLY A 1 30.161 20.517 5.968 1.00 0.00 C ATOM 4 O GLY A 1 30.428 20.412 7.165 1.00 0.00 O ATOM 0 H1 GLY A 1 31.873 20.908 3.107 1.00 0.00 H new ATOM 0 H2 GLY A 1 30.191 20.695 3.202 1.00 0.00 H new ATOM 0 H3 GLY A 1 30.926 22.014 3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 1 31.155 19.156 4.651 1.00 0.00 H new ATOM 0 HA3 GLY A 1 32.198 20.391 5.329 1.00 0.00 H new ATOM 8 N SER A 2 28.967 20.897 5.524 1.00 0.00 N ATOM 9 CA SER A 2 27.879 21.223 6.438 1.00 0.00 C ATOM 10 C SER A 2 27.069 19.977 6.785 1.00 0.00 C ATOM 11 O SER A 2 26.545 19.299 5.902 1.00 0.00 O ATOM 12 CB SER A 2 26.965 22.283 5.819 1.00 0.00 C ATOM 13 OG SER A 2 26.650 21.963 4.475 1.00 0.00 O ATOM 0 H SER A 2 28.729 20.987 4.536 1.00 0.00 H new ATOM 0 HA SER A 2 28.314 21.619 7.355 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.047 22.362 6.402 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.453 23.257 5.859 1.00 0.00 H new ATOM 0 HG SER A 2 26.448 21.007 4.405 1.00 0.00 H new ATOM 19 N SER A 3 26.973 19.683 8.078 1.00 0.00 N ATOM 20 CA SER A 3 26.231 18.517 8.543 1.00 0.00 C ATOM 21 C SER A 3 26.120 18.516 10.065 1.00 0.00 C ATOM 22 O SER A 3 27.057 18.893 10.767 1.00 0.00 O ATOM 23 CB SER A 3 26.911 17.231 8.069 1.00 0.00 C ATOM 24 OG SER A 3 28.250 17.163 8.527 1.00 0.00 O ATOM 0 H SER A 3 27.400 20.236 8.822 1.00 0.00 H new ATOM 0 HA SER A 3 25.227 18.564 8.122 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.355 16.367 8.432 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.893 17.187 6.980 1.00 0.00 H new ATOM 0 HG SER A 3 28.662 16.331 8.212 1.00 0.00 H new ATOM 30 N GLY A 4 24.965 18.089 10.567 1.00 0.00 N ATOM 31 CA GLY A 4 24.751 18.046 12.002 1.00 0.00 C ATOM 32 C GLY A 4 24.680 16.629 12.536 1.00 0.00 C ATOM 33 O GLY A 4 25.708 16.007 12.805 1.00 0.00 O ATOM 0 H GLY A 4 24.174 17.772 10.006 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.559 18.580 12.503 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.826 18.569 12.244 1.00 0.00 H new ATOM 37 N SER A 5 23.463 16.117 12.691 1.00 0.00 N ATOM 38 CA SER A 5 23.261 14.766 13.201 1.00 0.00 C ATOM 39 C SER A 5 23.793 14.639 14.626 1.00 0.00 C ATOM 40 O SER A 5 24.973 14.360 14.837 1.00 0.00 O ATOM 41 CB SER A 5 23.953 13.747 12.294 1.00 0.00 C ATOM 42 OG SER A 5 23.510 12.431 12.575 1.00 0.00 O ATOM 0 H SER A 5 22.602 16.618 12.471 1.00 0.00 H new ATOM 0 HA SER A 5 22.190 14.564 13.211 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.750 13.987 11.250 1.00 0.00 H new ATOM 0 HB3 SER A 5 25.033 13.808 12.431 1.00 0.00 H new ATOM 0 HG SER A 5 23.966 11.799 11.981 1.00 0.00 H new ATOM 48 N SER A 6 22.913 14.846 15.600 1.00 0.00 N ATOM 49 CA SER A 6 23.293 14.758 17.005 1.00 0.00 C ATOM 50 C SER A 6 22.059 14.769 17.903 1.00 0.00 C ATOM 51 O SER A 6 22.016 15.477 18.908 1.00 0.00 O ATOM 52 CB SER A 6 24.219 15.917 17.378 1.00 0.00 C ATOM 53 OG SER A 6 23.564 17.164 17.222 1.00 0.00 O ATOM 0 H SER A 6 21.932 15.076 15.442 1.00 0.00 H new ATOM 0 HA SER A 6 23.822 13.817 17.155 1.00 0.00 H new ATOM 0 HB2 SER A 6 24.551 15.804 18.410 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.111 15.890 16.752 1.00 0.00 H new ATOM 0 HG SER A 6 24.176 17.888 17.468 1.00 0.00 H new ATOM 59 N GLY A 7 21.058 13.978 17.532 1.00 0.00 N ATOM 60 CA GLY A 7 19.837 13.910 18.313 1.00 0.00 C ATOM 61 C GLY A 7 19.662 12.571 19.001 1.00 0.00 C ATOM 62 O GLY A 7 20.639 11.873 19.271 1.00 0.00 O ATOM 0 H GLY A 7 21.071 13.383 16.704 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.844 14.702 19.062 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.982 14.095 17.662 1.00 0.00 H new ATOM 66 N GLN A 8 18.414 12.212 19.286 1.00 0.00 N ATOM 67 CA GLN A 8 18.115 10.948 19.949 1.00 0.00 C ATOM 68 C GLN A 8 18.764 10.891 21.328 1.00 0.00 C ATOM 69 O GLN A 8 19.960 10.630 21.452 1.00 0.00 O ATOM 70 CB GLN A 8 18.598 9.774 19.096 1.00 0.00 C ATOM 71 CG GLN A 8 17.485 8.826 18.680 1.00 0.00 C ATOM 72 CD GLN A 8 17.385 7.613 19.583 1.00 0.00 C ATOM 73 OE1 GLN A 8 16.583 7.585 20.518 1.00 0.00 O ATOM 74 NE2 GLN A 8 18.200 6.601 19.309 1.00 0.00 N ATOM 0 H GLN A 8 17.594 12.778 19.068 1.00 0.00 H new ATOM 0 HA GLN A 8 17.034 10.877 20.073 1.00 0.00 H new ATOM 0 HB2 GLN A 8 19.087 10.162 18.202 1.00 0.00 H new ATOM 0 HB3 GLN A 8 19.350 9.216 19.654 1.00 0.00 H new ATOM 0 HG2 GLN A 8 16.535 9.361 18.689 1.00 0.00 H new ATOM 0 HG3 GLN A 8 17.656 8.498 17.655 1.00 0.00 H new ATOM 0 HE21 GLN A 8 18.849 6.667 18.525 1.00 0.00 H new ATOM 0 HE22 GLN A 8 18.177 5.758 19.883 1.00 0.00 H new ATOM 83 N MET A 9 17.966 11.136 22.362 1.00 0.00 N ATOM 84 CA MET A 9 18.463 11.111 23.733 1.00 0.00 C ATOM 85 C MET A 9 17.343 10.770 24.711 1.00 0.00 C ATOM 86 O MET A 9 17.455 9.827 25.494 1.00 0.00 O ATOM 87 CB MET A 9 19.082 12.461 24.099 1.00 0.00 C ATOM 88 CG MET A 9 20.597 12.489 23.972 1.00 0.00 C ATOM 89 SD MET A 9 21.282 14.140 24.208 1.00 0.00 S ATOM 90 CE MET A 9 22.162 14.365 22.664 1.00 0.00 C ATOM 0 H MET A 9 16.973 11.354 22.277 1.00 0.00 H new ATOM 0 HA MET A 9 19.229 10.338 23.801 1.00 0.00 H new ATOM 0 HB2 MET A 9 18.657 13.232 23.457 1.00 0.00 H new ATOM 0 HB3 MET A 9 18.807 12.712 25.123 1.00 0.00 H new ATOM 0 HG2 MET A 9 21.032 11.811 24.706 1.00 0.00 H new ATOM 0 HG3 MET A 9 20.882 12.119 22.987 1.00 0.00 H new ATOM 0 HE1 MET A 9 22.641 15.344 22.658 1.00 0.00 H new ATOM 0 HE2 MET A 9 22.921 13.589 22.561 1.00 0.00 H new ATOM 0 HE3 MET A 9 21.460 14.299 21.832 1.00 0.00 H new ATOM 100 N SER A 10 16.263 11.544 24.661 1.00 0.00 N ATOM 101 CA SER A 10 15.125 11.326 25.545 1.00 0.00 C ATOM 102 C SER A 10 14.607 9.896 25.422 1.00 0.00 C ATOM 103 O SER A 10 15.049 9.135 24.560 1.00 0.00 O ATOM 104 CB SER A 10 14.004 12.316 25.221 1.00 0.00 C ATOM 105 OG SER A 10 14.083 12.754 23.876 1.00 0.00 O ATOM 0 H SER A 10 16.153 12.328 24.017 1.00 0.00 H new ATOM 0 HA SER A 10 15.457 11.486 26.571 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.037 11.845 25.397 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.068 13.174 25.890 1.00 0.00 H new ATOM 0 HG SER A 10 14.630 13.566 23.828 1.00 0.00 H new ATOM 111 N LEU A 11 13.668 9.537 26.291 1.00 0.00 N ATOM 112 CA LEU A 11 13.089 8.198 26.281 1.00 0.00 C ATOM 113 C LEU A 11 11.572 8.260 26.429 1.00 0.00 C ATOM 114 O LEU A 11 11.043 9.118 27.136 1.00 0.00 O ATOM 115 CB LEU A 11 13.688 7.354 27.407 1.00 0.00 C ATOM 116 CG LEU A 11 14.367 6.051 26.980 1.00 0.00 C ATOM 117 CD1 LEU A 11 15.792 6.317 26.521 1.00 0.00 C ATOM 118 CD2 LEU A 11 14.351 5.043 28.120 1.00 0.00 C ATOM 0 H LEU A 11 13.292 10.154 27.011 1.00 0.00 H new ATOM 0 HA LEU A 11 13.324 7.734 25.323 1.00 0.00 H new ATOM 0 HB2 LEU A 11 14.417 7.962 27.942 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.895 7.112 28.114 1.00 0.00 H new ATOM 0 HG LEU A 11 13.810 5.631 26.142 1.00 0.00 H new ATOM 0 HD11 LEU A 11 16.259 5.379 26.221 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.779 7.003 25.674 1.00 0.00 H new ATOM 0 HD13 LEU A 11 16.361 6.760 27.338 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.838 4.122 27.799 1.00 0.00 H new ATOM 0 HD22 LEU A 11 14.883 5.455 28.977 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.320 4.829 28.402 1.00 0.00 H new ATOM 130 N GLU A 12 10.879 7.344 25.760 1.00 0.00 N ATOM 131 CA GLU A 12 9.423 7.295 25.819 1.00 0.00 C ATOM 132 C GLU A 12 8.953 6.141 26.701 1.00 0.00 C ATOM 133 O GLU A 12 9.701 5.199 26.960 1.00 0.00 O ATOM 134 CB GLU A 12 8.838 7.148 24.413 1.00 0.00 C ATOM 135 CG GLU A 12 7.787 8.193 24.079 1.00 0.00 C ATOM 136 CD GLU A 12 8.311 9.270 23.149 1.00 0.00 C ATOM 137 OE1 GLU A 12 8.872 10.267 23.650 1.00 0.00 O ATOM 138 OE2 GLU A 12 8.159 9.116 21.919 1.00 0.00 O ATOM 0 H GLU A 12 11.302 6.626 25.171 1.00 0.00 H new ATOM 0 HA GLU A 12 9.071 8.230 26.255 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.646 7.211 23.684 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.397 6.156 24.314 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.929 7.705 23.617 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.433 8.655 25.001 1.00 0.00 H new ATOM 145 N GLY A 13 7.707 6.224 27.159 1.00 0.00 N ATOM 146 CA GLY A 13 7.159 5.181 28.007 1.00 0.00 C ATOM 147 C GLY A 13 5.649 5.086 27.905 1.00 0.00 C ATOM 148 O GLY A 13 5.116 4.122 27.355 1.00 0.00 O ATOM 0 H GLY A 13 7.068 6.994 26.958 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.600 4.223 27.731 1.00 0.00 H new ATOM 0 HA3 GLY A 13 7.439 5.374 29.043 1.00 0.00 H new ATOM 152 N THR A 14 4.957 6.088 28.437 1.00 0.00 N ATOM 153 CA THR A 14 3.500 6.112 28.406 1.00 0.00 C ATOM 154 C THR A 14 2.963 7.472 28.838 1.00 0.00 C ATOM 155 O THR A 14 3.352 8.000 29.879 1.00 0.00 O ATOM 156 CB THR A 14 2.901 5.024 29.317 1.00 0.00 C ATOM 157 OG1 THR A 14 1.471 5.062 29.250 1.00 0.00 O ATOM 158 CG2 THR A 14 3.351 5.215 30.757 1.00 0.00 C ATOM 0 H THR A 14 5.382 6.894 28.895 1.00 0.00 H new ATOM 0 HA THR A 14 3.203 5.917 27.376 1.00 0.00 H new ATOM 0 HB THR A 14 3.255 4.054 28.968 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.098 4.366 29.831 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.915 4.435 31.381 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.438 5.156 30.809 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.023 6.191 31.114 1.00 0.00 H new ATOM 166 N GLU A 15 2.068 8.033 28.031 1.00 0.00 N ATOM 167 CA GLU A 15 1.478 9.332 28.331 1.00 0.00 C ATOM 168 C GLU A 15 -0.032 9.309 28.110 1.00 0.00 C ATOM 169 O GLU A 15 -0.573 8.359 27.544 1.00 0.00 O ATOM 170 CB GLU A 15 2.115 10.419 27.463 1.00 0.00 C ATOM 171 CG GLU A 15 3.471 10.885 27.967 1.00 0.00 C ATOM 172 CD GLU A 15 3.707 12.363 27.725 1.00 0.00 C ATOM 173 OE1 GLU A 15 4.057 12.728 26.583 1.00 0.00 O ATOM 174 OE2 GLU A 15 3.543 13.155 28.677 1.00 0.00 O ATOM 0 H GLU A 15 1.736 7.608 27.165 1.00 0.00 H new ATOM 0 HA GLU A 15 1.670 9.556 29.380 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.225 10.042 26.446 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.441 11.275 27.415 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.548 10.679 29.035 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.255 10.310 27.474 1.00 0.00 H new ATOM 181 N LYS A 16 -0.706 10.361 28.561 1.00 0.00 N ATOM 182 CA LYS A 16 -2.153 10.464 28.413 1.00 0.00 C ATOM 183 C LYS A 16 -2.530 11.692 27.590 1.00 0.00 C ATOM 184 O LYS A 16 -1.841 12.711 27.627 1.00 0.00 O ATOM 185 CB LYS A 16 -2.823 10.532 29.787 1.00 0.00 C ATOM 186 CG LYS A 16 -2.774 9.222 30.553 1.00 0.00 C ATOM 187 CD LYS A 16 -4.159 8.782 30.996 1.00 0.00 C ATOM 188 CE LYS A 16 -4.567 9.455 32.298 1.00 0.00 C ATOM 189 NZ LYS A 16 -4.390 8.551 33.468 1.00 0.00 N ATOM 0 H LYS A 16 -0.273 11.155 29.032 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.504 9.575 27.888 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.339 11.308 30.380 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.864 10.830 29.660 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.329 8.449 29.926 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.130 9.334 31.426 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.884 9.022 30.218 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.175 7.700 31.124 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.972 10.357 32.443 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.609 9.767 32.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.679 9.046 34.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.977 7.702 33.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.391 8.273 33.544 1.00 0.00 H new ATOM 203 N ALA A 17 -3.628 11.588 26.849 1.00 0.00 N ATOM 204 CA ALA A 17 -4.099 12.691 26.021 1.00 0.00 C ATOM 205 C ALA A 17 -4.475 13.898 26.875 1.00 0.00 C ATOM 206 O ALA A 17 -5.134 13.759 27.905 1.00 0.00 O ATOM 207 CB ALA A 17 -5.285 12.250 25.177 1.00 0.00 C ATOM 0 H ALA A 17 -4.208 10.750 26.805 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.286 12.987 25.358 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.626 13.084 24.564 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.985 11.424 24.532 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.095 11.925 25.830 1.00 0.00 H new ATOM 213 N SER A 18 -4.051 15.080 26.440 1.00 0.00 N ATOM 214 CA SER A 18 -4.340 16.310 27.167 1.00 0.00 C ATOM 215 C SER A 18 -5.844 16.549 27.256 1.00 0.00 C ATOM 216 O SER A 18 -6.314 17.314 28.098 1.00 0.00 O ATOM 217 CB SER A 18 -3.663 17.501 26.486 1.00 0.00 C ATOM 218 OG SER A 18 -2.273 17.275 26.327 1.00 0.00 O ATOM 0 H SER A 18 -3.506 15.212 25.588 1.00 0.00 H new ATOM 0 HA SER A 18 -3.946 16.206 28.178 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.120 17.675 25.512 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.823 18.402 27.079 1.00 0.00 H new ATOM 0 HG SER A 18 -1.864 18.050 25.888 1.00 0.00 H new ATOM 224 N TRP A 19 -6.594 15.888 26.381 1.00 0.00 N ATOM 225 CA TRP A 19 -8.045 16.027 26.359 1.00 0.00 C ATOM 226 C TRP A 19 -8.722 14.744 26.828 1.00 0.00 C ATOM 227 O TRP A 19 -9.909 14.529 26.577 1.00 0.00 O ATOM 228 CB TRP A 19 -8.523 16.385 24.951 1.00 0.00 C ATOM 229 CG TRP A 19 -7.868 15.571 23.877 1.00 0.00 C ATOM 230 CD1 TRP A 19 -6.739 15.893 23.178 1.00 0.00 C ATOM 231 CD2 TRP A 19 -8.304 14.302 23.378 1.00 0.00 C ATOM 232 NE1 TRP A 19 -6.447 14.899 22.275 1.00 0.00 N ATOM 233 CE2 TRP A 19 -7.391 13.912 22.378 1.00 0.00 C ATOM 234 CE3 TRP A 19 -9.374 13.456 23.679 1.00 0.00 C ATOM 235 CZ2 TRP A 19 -7.520 12.715 21.679 1.00 0.00 C ATOM 236 CZ3 TRP A 19 -9.501 12.268 22.985 1.00 0.00 C ATOM 237 CH2 TRP A 19 -8.577 11.906 21.995 1.00 0.00 C ATOM 0 H TRP A 19 -6.221 15.251 25.678 1.00 0.00 H new ATOM 0 HA TRP A 19 -8.318 16.831 27.043 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -9.603 16.246 24.895 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -8.328 17.441 24.766 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.161 16.795 23.315 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -5.655 14.897 21.632 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -10.090 13.726 24.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -6.811 12.435 20.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -10.326 11.608 23.209 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -8.702 10.970 21.471 1.00 0.00 H new ATOM 248 N LEU A 20 -7.962 13.894 27.509 1.00 0.00 N ATOM 249 CA LEU A 20 -8.490 12.630 28.013 1.00 0.00 C ATOM 250 C LEU A 20 -8.719 12.698 29.520 1.00 0.00 C ATOM 251 O LEU A 20 -7.792 12.949 30.289 1.00 0.00 O ATOM 252 CB LEU A 20 -7.530 11.486 27.683 1.00 0.00 C ATOM 253 CG LEU A 20 -7.964 10.549 26.556 1.00 0.00 C ATOM 254 CD1 LEU A 20 -6.924 9.462 26.334 1.00 0.00 C ATOM 255 CD2 LEU A 20 -9.322 9.936 26.865 1.00 0.00 C ATOM 0 H LEU A 20 -6.978 14.056 27.725 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.448 12.445 27.526 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.563 11.915 27.420 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.381 10.892 28.585 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.051 11.132 25.639 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.251 8.805 25.528 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.971 9.919 26.066 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.803 8.882 27.249 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.615 9.272 26.052 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.262 9.368 27.794 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.063 10.728 26.971 1.00 0.00 H new ATOM 267 N GLY A 21 -9.962 12.471 29.935 1.00 0.00 N ATOM 268 CA GLY A 21 -10.290 12.509 31.348 1.00 0.00 C ATOM 269 C GLY A 21 -11.226 13.651 31.695 1.00 0.00 C ATOM 270 O GLY A 21 -11.873 13.634 32.742 1.00 0.00 O ATOM 0 H GLY A 21 -10.747 12.262 29.318 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -10.751 11.565 31.636 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.373 12.606 31.928 1.00 0.00 H new ATOM 274 N GLU A 22 -11.295 14.645 30.816 1.00 0.00 N ATOM 275 CA GLU A 22 -12.157 15.801 31.037 1.00 0.00 C ATOM 276 C GLU A 22 -13.160 15.957 29.898 1.00 0.00 C ATOM 277 O GLU A 22 -12.841 15.701 28.738 1.00 0.00 O ATOM 278 CB GLU A 22 -11.317 17.073 31.171 1.00 0.00 C ATOM 279 CG GLU A 22 -12.079 18.246 31.763 1.00 0.00 C ATOM 280 CD GLU A 22 -12.268 18.121 33.263 1.00 0.00 C ATOM 281 OE1 GLU A 22 -11.277 17.824 33.962 1.00 0.00 O ATOM 282 OE2 GLU A 22 -13.406 18.321 33.736 1.00 0.00 O ATOM 0 H GLU A 22 -10.765 14.674 29.945 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.708 15.640 31.963 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.450 16.861 31.796 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.940 17.355 30.188 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.544 19.170 31.544 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.055 18.321 31.282 1.00 0.00 H new ATOM 289 N GLN A 23 -14.373 16.379 30.240 1.00 0.00 N ATOM 290 CA GLN A 23 -15.424 16.569 29.247 1.00 0.00 C ATOM 291 C GLN A 23 -15.002 17.593 28.197 1.00 0.00 C ATOM 292 O GLN A 23 -14.096 18.398 28.410 1.00 0.00 O ATOM 293 CB GLN A 23 -16.720 17.019 29.923 1.00 0.00 C ATOM 294 CG GLN A 23 -17.589 15.866 30.399 1.00 0.00 C ATOM 295 CD GLN A 23 -18.873 16.336 31.055 1.00 0.00 C ATOM 296 OE1 GLN A 23 -18.908 16.603 32.256 1.00 0.00 O ATOM 297 NE2 GLN A 23 -19.937 16.439 30.267 1.00 0.00 N ATOM 0 H GLN A 23 -14.652 16.596 31.197 1.00 0.00 H new ATOM 0 HA GLN A 23 -15.595 15.614 28.750 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -16.475 17.654 30.774 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -17.292 17.630 29.224 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -17.832 15.225 29.552 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -17.025 15.259 31.107 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -19.862 16.207 29.277 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -20.829 16.750 30.652 1.00 0.00 H new ATOM 306 N PRO A 24 -15.673 17.562 27.037 1.00 0.00 N ATOM 307 CA PRO A 24 -15.386 18.480 25.931 1.00 0.00 C ATOM 308 C PRO A 24 -15.801 19.913 26.245 1.00 0.00 C ATOM 309 O PRO A 24 -15.489 20.838 25.495 1.00 0.00 O ATOM 310 CB PRO A 24 -16.224 17.922 24.778 1.00 0.00 C ATOM 311 CG PRO A 24 -17.338 17.187 25.441 1.00 0.00 C ATOM 312 CD PRO A 24 -16.765 16.628 26.714 1.00 0.00 C ATOM 0 HA PRO A 24 -14.319 18.533 25.713 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.601 18.721 24.140 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.634 17.260 24.144 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.175 17.853 25.649 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.716 16.390 24.800 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.511 16.592 27.508 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.397 15.611 26.576 1.00 0.00 H new ATOM 320 N GLN A 25 -16.504 20.090 27.359 1.00 0.00 N ATOM 321 CA GLN A 25 -16.961 21.412 27.772 1.00 0.00 C ATOM 322 C GLN A 25 -15.880 22.139 28.565 1.00 0.00 C ATOM 323 O GLN A 25 -15.865 23.368 28.631 1.00 0.00 O ATOM 324 CB GLN A 25 -18.235 21.295 28.611 1.00 0.00 C ATOM 325 CG GLN A 25 -19.270 20.354 28.017 1.00 0.00 C ATOM 326 CD GLN A 25 -20.649 20.979 27.936 1.00 0.00 C ATOM 327 OE1 GLN A 25 -20.785 22.186 27.729 1.00 0.00 O ATOM 328 NE2 GLN A 25 -21.681 20.160 28.098 1.00 0.00 N ATOM 0 H GLN A 25 -16.769 19.335 27.992 1.00 0.00 H new ATOM 0 HA GLN A 25 -17.178 21.991 26.874 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -17.972 20.948 29.610 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.678 22.285 28.724 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -18.952 20.054 27.018 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.321 19.448 28.621 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.522 19.167 28.267 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -22.633 20.524 28.053 1.00 0.00 H new ATOM 337 N PHE A 26 -14.978 21.371 29.166 1.00 0.00 N ATOM 338 CA PHE A 26 -13.893 21.942 29.957 1.00 0.00 C ATOM 339 C PHE A 26 -12.551 21.748 29.258 1.00 0.00 C ATOM 340 O PHE A 26 -11.565 21.356 29.883 1.00 0.00 O ATOM 341 CB PHE A 26 -13.855 21.302 31.346 1.00 0.00 C ATOM 342 CG PHE A 26 -15.137 21.456 32.113 1.00 0.00 C ATOM 343 CD1 PHE A 26 -16.183 20.567 31.925 1.00 0.00 C ATOM 344 CD2 PHE A 26 -15.297 22.489 33.022 1.00 0.00 C ATOM 345 CE1 PHE A 26 -17.365 20.707 32.629 1.00 0.00 C ATOM 346 CE2 PHE A 26 -16.476 22.634 33.729 1.00 0.00 C ATOM 347 CZ PHE A 26 -17.510 21.741 33.532 1.00 0.00 C ATOM 0 H PHE A 26 -14.976 20.352 29.121 1.00 0.00 H new ATOM 0 HA PHE A 26 -14.077 23.011 30.062 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.629 20.241 31.242 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.042 21.747 31.920 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -16.074 19.756 31.221 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.491 23.190 33.180 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -18.174 20.008 32.473 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.588 23.444 34.434 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.432 21.851 34.084 1.00 0.00 H new ATOM 357 N TRP A 27 -12.521 22.026 27.960 1.00 0.00 N ATOM 358 CA TRP A 27 -11.300 21.882 27.175 1.00 0.00 C ATOM 359 C TRP A 27 -10.591 23.223 27.021 1.00 0.00 C ATOM 360 O TRP A 27 -11.192 24.280 27.217 1.00 0.00 O ATOM 361 CB TRP A 27 -11.620 21.299 25.798 1.00 0.00 C ATOM 362 CG TRP A 27 -11.730 19.805 25.797 1.00 0.00 C ATOM 363 CD1 TRP A 27 -11.701 18.980 26.885 1.00 0.00 C ATOM 364 CD2 TRP A 27 -11.884 18.958 24.653 1.00 0.00 C ATOM 365 NE1 TRP A 27 -11.828 17.671 26.486 1.00 0.00 N ATOM 366 CE2 TRP A 27 -11.943 17.631 25.121 1.00 0.00 C ATOM 367 CE3 TRP A 27 -11.980 19.191 23.278 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -12.092 16.544 24.263 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -12.128 18.112 22.428 1.00 0.00 C ATOM 370 CH2 TRP A 27 -12.184 16.802 22.923 1.00 0.00 C ATOM 0 H TRP A 27 -13.328 22.352 27.428 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.635 21.199 27.705 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -12.557 21.725 25.440 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -10.843 21.599 25.095 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -11.594 19.308 27.908 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -11.835 16.861 27.105 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -11.939 20.197 22.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -12.133 15.534 24.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.202 18.281 21.364 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.302 15.980 22.233 1.00 0.00 H new ATOM 381 N SER A 28 -9.310 23.174 26.670 1.00 0.00 N ATOM 382 CA SER A 28 -8.519 24.386 26.493 1.00 0.00 C ATOM 383 C SER A 28 -8.189 24.609 25.020 1.00 0.00 C ATOM 384 O SER A 28 -8.371 23.719 24.189 1.00 0.00 O ATOM 385 CB SER A 28 -7.227 24.300 27.309 1.00 0.00 C ATOM 386 OG SER A 28 -6.656 25.584 27.495 1.00 0.00 O ATOM 0 H SER A 28 -8.798 22.308 26.503 1.00 0.00 H new ATOM 0 HA SER A 28 -9.109 25.231 26.847 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.435 23.847 28.278 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.514 23.651 26.800 1.00 0.00 H new ATOM 0 HG SER A 28 -5.833 25.503 28.020 1.00 0.00 H new ATOM 392 N LYS A 29 -7.702 25.804 24.704 1.00 0.00 N ATOM 393 CA LYS A 29 -7.345 26.147 23.332 1.00 0.00 C ATOM 394 C LYS A 29 -6.330 25.156 22.771 1.00 0.00 C ATOM 395 O LYS A 29 -6.248 24.955 21.558 1.00 0.00 O ATOM 396 CB LYS A 29 -6.775 27.566 23.272 1.00 0.00 C ATOM 397 CG LYS A 29 -7.781 28.642 23.644 1.00 0.00 C ATOM 398 CD LYS A 29 -7.129 29.765 24.433 1.00 0.00 C ATOM 399 CE LYS A 29 -8.164 30.746 24.964 1.00 0.00 C ATOM 400 NZ LYS A 29 -7.628 32.133 25.035 1.00 0.00 N ATOM 0 H LYS A 29 -7.545 26.552 25.380 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.248 26.099 22.724 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.919 27.633 23.943 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.406 27.758 22.264 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.234 29.047 22.739 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.585 28.201 24.233 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.563 29.346 25.265 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.418 30.293 23.797 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.044 30.729 24.321 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.488 30.431 25.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.363 32.771 25.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.804 32.155 25.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.342 32.444 24.085 1.00 0.00 H new ATOM 414 N THR A 30 -5.559 24.537 23.659 1.00 0.00 N ATOM 415 CA THR A 30 -4.550 23.567 23.252 1.00 0.00 C ATOM 416 C THR A 30 -5.153 22.174 23.113 1.00 0.00 C ATOM 417 O THR A 30 -4.909 21.479 22.127 1.00 0.00 O ATOM 418 CB THR A 30 -3.385 23.512 24.258 1.00 0.00 C ATOM 419 OG1 THR A 30 -3.202 24.796 24.866 1.00 0.00 O ATOM 420 CG2 THR A 30 -2.098 23.082 23.572 1.00 0.00 C ATOM 0 H THR A 30 -5.614 24.690 24.666 1.00 0.00 H new ATOM 0 HA THR A 30 -4.169 23.894 22.285 1.00 0.00 H new ATOM 0 HB THR A 30 -3.631 22.779 25.026 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.461 24.752 25.506 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.289 23.050 24.302 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.232 22.092 23.135 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.849 23.795 22.786 1.00 0.00 H new ATOM 428 N GLN A 31 -5.940 21.773 24.106 1.00 0.00 N ATOM 429 CA GLN A 31 -6.577 20.461 24.093 1.00 0.00 C ATOM 430 C GLN A 31 -7.330 20.234 22.786 1.00 0.00 C ATOM 431 O GLN A 31 -7.120 19.232 22.102 1.00 0.00 O ATOM 432 CB GLN A 31 -7.535 20.324 25.277 1.00 0.00 C ATOM 433 CG GLN A 31 -6.878 20.580 26.624 1.00 0.00 C ATOM 434 CD GLN A 31 -7.853 20.466 27.779 1.00 0.00 C ATOM 435 OE1 GLN A 31 -7.889 21.322 28.663 1.00 0.00 O ATOM 436 NE2 GLN A 31 -8.650 19.404 27.779 1.00 0.00 N ATOM 0 H GLN A 31 -6.152 22.337 24.929 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.796 19.705 24.177 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.362 21.022 25.147 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.961 19.321 25.275 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.065 19.869 26.768 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.435 21.576 26.624 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.587 18.719 27.026 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.326 19.273 28.532 1.00 0.00 H new ATOM 445 N VAL A 32 -8.208 21.172 22.443 1.00 0.00 N ATOM 446 CA VAL A 32 -8.991 21.075 21.218 1.00 0.00 C ATOM 447 C VAL A 32 -8.095 20.818 20.011 1.00 0.00 C ATOM 448 O VAL A 32 -8.230 19.802 19.329 1.00 0.00 O ATOM 449 CB VAL A 32 -9.810 22.357 20.972 1.00 0.00 C ATOM 450 CG1 VAL A 32 -10.595 22.248 19.674 1.00 0.00 C ATOM 451 CG2 VAL A 32 -10.739 22.628 22.146 1.00 0.00 C ATOM 0 H VAL A 32 -8.394 22.008 22.997 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.674 20.235 21.345 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.121 23.197 20.882 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.167 23.162 19.517 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.905 22.104 18.842 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.276 21.399 19.731 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.310 23.537 21.956 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.423 21.789 22.270 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.150 22.753 23.055 1.00 0.00 H new ATOM 461 N LEU A 33 -7.179 21.746 19.754 1.00 0.00 N ATOM 462 CA LEU A 33 -6.259 21.620 18.629 1.00 0.00 C ATOM 463 C LEU A 33 -5.496 20.301 18.694 1.00 0.00 C ATOM 464 O LEU A 33 -5.080 19.761 17.669 1.00 0.00 O ATOM 465 CB LEU A 33 -5.275 22.791 18.617 1.00 0.00 C ATOM 466 CG LEU A 33 -5.884 24.178 18.409 1.00 0.00 C ATOM 467 CD1 LEU A 33 -4.867 25.262 18.730 1.00 0.00 C ATOM 468 CD2 LEU A 33 -6.394 24.328 16.983 1.00 0.00 C ATOM 0 H LEU A 33 -7.054 22.593 20.309 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.844 21.635 17.709 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.732 22.793 19.562 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.543 22.616 17.829 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.728 24.288 19.089 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.319 26.242 18.576 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.550 25.168 19.769 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.002 25.155 18.076 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.824 25.321 16.853 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.567 24.196 16.285 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.157 23.574 16.788 1.00 0.00 H new ATOM 480 N ASP A 34 -5.319 19.785 19.906 1.00 0.00 N ATOM 481 CA ASP A 34 -4.609 18.527 20.104 1.00 0.00 C ATOM 482 C ASP A 34 -5.502 17.339 19.759 1.00 0.00 C ATOM 483 O ASP A 34 -5.017 16.285 19.347 1.00 0.00 O ATOM 484 CB ASP A 34 -4.124 18.413 21.551 1.00 0.00 C ATOM 485 CG ASP A 34 -2.772 19.066 21.761 1.00 0.00 C ATOM 486 OD1 ASP A 34 -1.988 19.131 20.792 1.00 0.00 O ATOM 487 OD2 ASP A 34 -2.498 19.510 22.896 1.00 0.00 O ATOM 0 H ASP A 34 -5.657 20.218 20.765 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.747 18.516 19.438 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.855 18.876 22.214 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.063 17.361 21.829 1.00 0.00 H new ATOM 492 N TRP A 35 -6.806 17.517 19.931 1.00 0.00 N ATOM 493 CA TRP A 35 -7.767 16.459 19.638 1.00 0.00 C ATOM 494 C TRP A 35 -7.970 16.309 18.135 1.00 0.00 C ATOM 495 O TRP A 35 -8.235 15.212 17.641 1.00 0.00 O ATOM 496 CB TRP A 35 -9.104 16.753 20.319 1.00 0.00 C ATOM 497 CG TRP A 35 -10.199 15.814 19.910 1.00 0.00 C ATOM 498 CD1 TRP A 35 -10.380 14.530 20.337 1.00 0.00 C ATOM 499 CD2 TRP A 35 -11.261 16.087 18.990 1.00 0.00 C ATOM 500 NE1 TRP A 35 -11.491 13.988 19.739 1.00 0.00 N ATOM 501 CE2 TRP A 35 -12.050 14.923 18.908 1.00 0.00 C ATOM 502 CE3 TRP A 35 -11.625 17.201 18.229 1.00 0.00 C ATOM 503 CZ2 TRP A 35 -13.178 14.843 18.095 1.00 0.00 C ATOM 504 CZ3 TRP A 35 -12.744 17.121 17.423 1.00 0.00 C ATOM 505 CH2 TRP A 35 -13.510 15.949 17.361 1.00 0.00 C ATOM 0 H TRP A 35 -7.223 18.383 20.272 1.00 0.00 H new ATOM 0 HA TRP A 35 -7.368 15.522 20.027 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.973 16.698 21.400 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -9.405 17.774 20.086 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.743 14.016 21.042 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -11.843 13.043 19.889 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -11.042 18.109 18.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -13.769 13.941 18.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -13.034 17.976 16.830 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -14.380 15.918 16.721 1.00 0.00 H new ATOM 516 N ILE A 36 -7.844 17.416 17.412 1.00 0.00 N ATOM 517 CA ILE A 36 -8.013 17.406 15.964 1.00 0.00 C ATOM 518 C ILE A 36 -6.989 16.494 15.297 1.00 0.00 C ATOM 519 O ILE A 36 -7.341 15.632 14.493 1.00 0.00 O ATOM 520 CB ILE A 36 -7.885 18.823 15.372 1.00 0.00 C ATOM 521 CG1 ILE A 36 -8.905 19.763 16.018 1.00 0.00 C ATOM 522 CG2 ILE A 36 -8.072 18.785 13.863 1.00 0.00 C ATOM 523 CD1 ILE A 36 -8.832 21.182 15.498 1.00 0.00 C ATOM 0 H ILE A 36 -7.625 18.332 17.805 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.016 17.028 15.766 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.885 19.201 15.585 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.908 19.372 15.845 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.748 19.771 17.097 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.979 19.793 13.459 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.311 18.144 13.418 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.061 18.390 13.629 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.583 21.792 16.000 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.841 21.591 15.695 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.019 21.186 14.424 1.00 0.00 H new ATOM 535 N SER A 37 -5.719 16.690 15.638 1.00 0.00 N ATOM 536 CA SER A 37 -4.642 15.887 15.072 1.00 0.00 C ATOM 537 C SER A 37 -4.945 14.398 15.209 1.00 0.00 C ATOM 538 O SER A 37 -4.626 13.603 14.325 1.00 0.00 O ATOM 539 CB SER A 37 -3.316 16.215 15.760 1.00 0.00 C ATOM 540 OG SER A 37 -2.314 15.276 15.409 1.00 0.00 O ATOM 0 H SER A 37 -5.411 17.399 16.304 1.00 0.00 H new ATOM 0 HA SER A 37 -4.562 16.128 14.012 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.994 17.218 15.478 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.454 16.217 16.841 1.00 0.00 H new ATOM 0 HG SER A 37 -1.476 15.508 15.860 1.00 0.00 H new ATOM 546 N TYR A 38 -5.564 14.027 16.325 1.00 0.00 N ATOM 547 CA TYR A 38 -5.908 12.634 16.581 1.00 0.00 C ATOM 548 C TYR A 38 -6.869 12.106 15.521 1.00 0.00 C ATOM 549 O TYR A 38 -6.674 11.020 14.977 1.00 0.00 O ATOM 550 CB TYR A 38 -6.533 12.488 17.970 1.00 0.00 C ATOM 551 CG TYR A 38 -7.678 11.501 18.018 1.00 0.00 C ATOM 552 CD1 TYR A 38 -7.455 10.141 17.844 1.00 0.00 C ATOM 553 CD2 TYR A 38 -8.981 11.929 18.237 1.00 0.00 C ATOM 554 CE1 TYR A 38 -8.498 9.235 17.886 1.00 0.00 C ATOM 555 CE2 TYR A 38 -10.030 11.031 18.282 1.00 0.00 C ATOM 556 CZ TYR A 38 -9.783 9.685 18.107 1.00 0.00 C ATOM 557 OH TYR A 38 -10.825 8.787 18.150 1.00 0.00 O ATOM 0 H TYR A 38 -5.837 14.672 17.066 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.991 12.046 16.539 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.763 12.173 18.674 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -6.890 13.463 18.303 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.450 9.786 17.673 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.178 12.982 18.375 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.308 8.181 17.747 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -11.037 11.381 18.453 1.00 0.00 H new ATOM 0 HH TYR A 38 -11.661 9.265 18.331 1.00 0.00 H new ATOM 567 N GLN A 39 -7.907 12.886 15.232 1.00 0.00 N ATOM 568 CA GLN A 39 -8.899 12.498 14.236 1.00 0.00 C ATOM 569 C GLN A 39 -8.355 12.685 12.824 1.00 0.00 C ATOM 570 O GLN A 39 -8.821 12.048 11.879 1.00 0.00 O ATOM 571 CB GLN A 39 -10.179 13.316 14.415 1.00 0.00 C ATOM 572 CG GLN A 39 -11.229 12.623 15.268 1.00 0.00 C ATOM 573 CD GLN A 39 -12.375 12.067 14.446 1.00 0.00 C ATOM 574 OE1 GLN A 39 -13.009 12.789 13.676 1.00 0.00 O ATOM 575 NE2 GLN A 39 -12.646 10.777 14.605 1.00 0.00 N ATOM 0 H GLN A 39 -8.082 13.789 15.673 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.128 11.442 14.380 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.927 14.274 14.870 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.603 13.531 13.434 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.761 11.812 15.826 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.621 13.329 16.000 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.094 10.216 15.254 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.406 10.347 14.078 1.00 0.00 H new ATOM 584 N VAL A 40 -7.366 13.563 12.687 1.00 0.00 N ATOM 585 CA VAL A 40 -6.758 13.833 11.390 1.00 0.00 C ATOM 586 C VAL A 40 -5.755 12.748 11.016 1.00 0.00 C ATOM 587 O VAL A 40 -5.518 12.488 9.837 1.00 0.00 O ATOM 588 CB VAL A 40 -6.047 15.200 11.378 1.00 0.00 C ATOM 589 CG1 VAL A 40 -5.372 15.438 10.036 1.00 0.00 C ATOM 590 CG2 VAL A 40 -7.032 16.315 11.695 1.00 0.00 C ATOM 0 H VAL A 40 -6.969 14.099 13.459 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.566 13.844 10.658 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.277 15.197 12.149 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.875 16.408 10.046 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.636 14.655 9.855 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.121 15.422 9.244 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.513 17.273 11.682 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.826 16.322 10.948 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.464 16.149 12.682 1.00 0.00 H new ATOM 600 N GLU A 41 -5.170 12.116 12.029 1.00 0.00 N ATOM 601 CA GLU A 41 -4.192 11.058 11.805 1.00 0.00 C ATOM 602 C GLU A 41 -4.872 9.693 11.738 1.00 0.00 C ATOM 603 O GLU A 41 -4.362 8.762 11.115 1.00 0.00 O ATOM 604 CB GLU A 41 -3.141 11.061 12.917 1.00 0.00 C ATOM 605 CG GLU A 41 -2.028 10.049 12.705 1.00 0.00 C ATOM 606 CD GLU A 41 -1.429 10.121 11.314 1.00 0.00 C ATOM 607 OE1 GLU A 41 -1.406 11.229 10.736 1.00 0.00 O ATOM 608 OE2 GLU A 41 -0.986 9.072 10.802 1.00 0.00 O ATOM 0 H GLU A 41 -5.356 12.318 13.011 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.702 11.248 10.850 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.705 12.057 12.991 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.631 10.856 13.869 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.244 10.218 13.443 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.417 9.046 12.877 1.00 0.00 H new ATOM 615 N LYS A 42 -6.028 9.582 12.385 1.00 0.00 N ATOM 616 CA LYS A 42 -6.780 8.334 12.400 1.00 0.00 C ATOM 617 C LYS A 42 -7.387 8.048 11.030 1.00 0.00 C ATOM 618 O LYS A 42 -7.249 6.947 10.497 1.00 0.00 O ATOM 619 CB LYS A 42 -7.886 8.393 13.456 1.00 0.00 C ATOM 620 CG LYS A 42 -7.738 7.350 14.551 1.00 0.00 C ATOM 621 CD LYS A 42 -6.634 7.720 15.527 1.00 0.00 C ATOM 622 CE LYS A 42 -5.311 7.074 15.144 1.00 0.00 C ATOM 623 NZ LYS A 42 -4.591 6.538 16.332 1.00 0.00 N ATOM 0 H LYS A 42 -6.464 10.343 12.906 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.091 7.527 12.649 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.892 9.385 13.909 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.851 8.260 12.967 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.681 7.249 15.088 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.520 6.380 14.104 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.517 8.803 15.552 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.916 7.406 16.532 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.493 6.266 14.435 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.682 7.807 14.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.695 6.106 16.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.395 7.313 16.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.180 5.820 16.800 1.00 0.00 H new ATOM 637 N ASN A 43 -8.057 9.046 10.464 1.00 0.00 N ATOM 638 CA ASN A 43 -8.684 8.901 9.155 1.00 0.00 C ATOM 639 C ASN A 43 -7.664 9.107 8.039 1.00 0.00 C ATOM 640 O ASN A 43 -7.996 9.022 6.856 1.00 0.00 O ATOM 641 CB ASN A 43 -9.832 9.901 9.003 1.00 0.00 C ATOM 642 CG ASN A 43 -11.099 9.435 9.693 1.00 0.00 C ATOM 643 OD1 ASN A 43 -11.883 8.673 9.126 1.00 0.00 O ATOM 644 ND2 ASN A 43 -11.306 9.892 10.922 1.00 0.00 N ATOM 0 H ASN A 43 -8.180 9.964 10.891 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.081 7.889 9.079 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.529 10.863 9.416 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.035 10.059 7.944 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.142 9.613 11.436 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.629 10.522 11.353 1.00 0.00 H new ATOM 651 N LYS A 44 -6.421 9.377 8.422 1.00 0.00 N ATOM 652 CA LYS A 44 -5.351 9.592 7.455 1.00 0.00 C ATOM 653 C LYS A 44 -5.632 10.823 6.599 1.00 0.00 C ATOM 654 O LYS A 44 -5.087 10.967 5.504 1.00 0.00 O ATOM 655 CB LYS A 44 -5.189 8.361 6.560 1.00 0.00 C ATOM 656 CG LYS A 44 -3.903 7.593 6.810 1.00 0.00 C ATOM 657 CD LYS A 44 -4.097 6.100 6.607 1.00 0.00 C ATOM 658 CE LYS A 44 -3.184 5.563 5.514 1.00 0.00 C ATOM 659 NZ LYS A 44 -3.872 5.509 4.194 1.00 0.00 N ATOM 0 H LYS A 44 -6.129 9.452 9.397 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.425 9.757 8.005 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.037 7.694 6.716 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.218 8.674 5.516 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.125 7.955 6.137 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.558 7.781 7.827 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.896 5.575 7.541 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.136 5.899 6.346 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.299 6.195 5.437 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.840 4.565 5.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.217 5.138 3.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.702 4.886 4.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.178 6.465 3.922 1.00 0.00 H new ATOM 673 N TYR A 45 -6.483 11.708 7.105 1.00 0.00 N ATOM 674 CA TYR A 45 -6.836 12.926 6.385 1.00 0.00 C ATOM 675 C TYR A 45 -5.587 13.713 6.001 1.00 0.00 C ATOM 676 O TYR A 45 -4.691 13.915 6.820 1.00 0.00 O ATOM 677 CB TYR A 45 -7.759 13.798 7.239 1.00 0.00 C ATOM 678 CG TYR A 45 -8.500 14.851 6.447 1.00 0.00 C ATOM 679 CD1 TYR A 45 -9.363 14.495 5.417 1.00 0.00 C ATOM 680 CD2 TYR A 45 -8.337 16.202 6.726 1.00 0.00 C ATOM 681 CE1 TYR A 45 -10.042 15.454 4.690 1.00 0.00 C ATOM 682 CE2 TYR A 45 -9.012 17.168 6.006 1.00 0.00 C ATOM 683 CZ TYR A 45 -9.864 16.789 4.989 1.00 0.00 C ATOM 684 OH TYR A 45 -10.537 17.748 4.267 1.00 0.00 O ATOM 0 H TYR A 45 -6.941 11.605 8.010 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.358 12.640 5.472 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.483 13.159 7.745 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.169 14.287 8.014 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.505 13.451 5.181 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.670 16.502 7.521 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.708 15.160 3.892 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.874 18.214 6.238 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.689 17.424 3.355 1.00 0.00 H new ATOM 694 N ASP A 46 -5.537 14.155 4.749 1.00 0.00 N ATOM 695 CA ASP A 46 -4.400 14.922 4.254 1.00 0.00 C ATOM 696 C ASP A 46 -4.098 16.101 5.174 1.00 0.00 C ATOM 697 O ASP A 46 -2.946 16.509 5.318 1.00 0.00 O ATOM 698 CB ASP A 46 -4.674 15.423 2.835 1.00 0.00 C ATOM 699 CG ASP A 46 -3.574 15.041 1.864 1.00 0.00 C ATOM 700 OD1 ASP A 46 -3.484 13.847 1.509 1.00 0.00 O ATOM 701 OD2 ASP A 46 -2.804 15.937 1.458 1.00 0.00 O ATOM 0 H ASP A 46 -6.271 13.995 4.059 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.530 14.265 4.237 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.622 15.014 2.485 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -4.781 16.508 2.850 1.00 0.00 H new ATOM 706 N ALA A 47 -5.141 16.645 5.792 1.00 0.00 N ATOM 707 CA ALA A 47 -4.987 17.776 6.698 1.00 0.00 C ATOM 708 C ALA A 47 -4.465 19.004 5.959 1.00 0.00 C ATOM 709 O ALA A 47 -3.844 19.883 6.557 1.00 0.00 O ATOM 710 CB ALA A 47 -4.055 17.412 7.844 1.00 0.00 C ATOM 0 H ALA A 47 -6.102 16.321 5.682 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.968 18.019 7.106 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.949 18.266 8.513 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.469 16.568 8.396 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.077 17.140 7.446 1.00 0.00 H new ATOM 716 N SER A 48 -4.721 19.058 4.656 1.00 0.00 N ATOM 717 CA SER A 48 -4.273 20.177 3.835 1.00 0.00 C ATOM 718 C SER A 48 -5.446 21.076 3.455 1.00 0.00 C ATOM 719 O SER A 48 -5.436 21.718 2.406 1.00 0.00 O ATOM 720 CB SER A 48 -3.580 19.664 2.571 1.00 0.00 C ATOM 721 OG SER A 48 -2.821 20.689 1.954 1.00 0.00 O ATOM 0 H SER A 48 -5.236 18.340 4.146 1.00 0.00 H new ATOM 0 HA SER A 48 -3.563 20.762 4.419 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.929 18.827 2.824 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.326 19.288 1.871 1.00 0.00 H new ATOM 0 HG SER A 48 -3.343 21.518 1.939 1.00 0.00 H new ATOM 727 N ALA A 49 -6.456 21.117 4.319 1.00 0.00 N ATOM 728 CA ALA A 49 -7.635 21.938 4.076 1.00 0.00 C ATOM 729 C ALA A 49 -8.078 22.652 5.349 1.00 0.00 C ATOM 730 O ALA A 49 -8.448 23.826 5.316 1.00 0.00 O ATOM 731 CB ALA A 49 -8.768 21.085 3.526 1.00 0.00 C ATOM 0 H ALA A 49 -6.481 20.591 5.193 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.374 22.696 3.337 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.642 21.711 3.349 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.455 20.625 2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.019 20.306 4.246 1.00 0.00 H new ATOM 737 N ILE A 50 -8.038 21.936 6.468 1.00 0.00 N ATOM 738 CA ILE A 50 -8.435 22.503 7.751 1.00 0.00 C ATOM 739 C ILE A 50 -7.696 23.808 8.028 1.00 0.00 C ATOM 740 O ILE A 50 -6.520 23.951 7.691 1.00 0.00 O ATOM 741 CB ILE A 50 -8.169 21.520 8.906 1.00 0.00 C ATOM 742 CG1 ILE A 50 -8.919 20.207 8.672 1.00 0.00 C ATOM 743 CG2 ILE A 50 -8.578 22.140 10.234 1.00 0.00 C ATOM 744 CD1 ILE A 50 -8.546 19.115 9.649 1.00 0.00 C ATOM 0 H ILE A 50 -7.735 20.963 6.512 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.505 22.701 7.692 1.00 0.00 H new ATOM 0 HB ILE A 50 -7.101 21.305 8.941 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.991 20.393 8.740 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.719 19.860 7.658 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.384 21.433 11.041 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.003 23.050 10.403 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.641 22.381 10.211 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.116 18.214 9.423 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.481 18.900 9.566 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.772 19.442 10.664 1.00 0.00 H new ATOM 756 N ASP A 51 -8.392 24.756 8.645 1.00 0.00 N ATOM 757 CA ASP A 51 -7.802 26.049 8.970 1.00 0.00 C ATOM 758 C ASP A 51 -7.431 26.120 10.448 1.00 0.00 C ATOM 759 O ASP A 51 -8.300 26.087 11.320 1.00 0.00 O ATOM 760 CB ASP A 51 -8.771 27.179 8.620 1.00 0.00 C ATOM 761 CG ASP A 51 -8.174 28.172 7.644 1.00 0.00 C ATOM 762 OD1 ASP A 51 -7.127 28.770 7.971 1.00 0.00 O ATOM 763 OD2 ASP A 51 -8.752 28.352 6.552 1.00 0.00 O ATOM 0 H ASP A 51 -9.366 24.653 8.930 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.893 26.165 8.379 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.680 26.755 8.192 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.061 27.700 9.532 1.00 0.00 H new ATOM 768 N PHE A 52 -6.134 26.216 10.724 1.00 0.00 N ATOM 769 CA PHE A 52 -5.648 26.290 12.096 1.00 0.00 C ATOM 770 C PHE A 52 -5.532 27.740 12.556 1.00 0.00 C ATOM 771 O PHE A 52 -4.524 28.140 13.137 1.00 0.00 O ATOM 772 CB PHE A 52 -4.289 25.595 12.216 1.00 0.00 C ATOM 773 CG PHE A 52 -4.340 24.124 11.918 1.00 0.00 C ATOM 774 CD1 PHE A 52 -4.719 23.218 12.896 1.00 0.00 C ATOM 775 CD2 PHE A 52 -4.008 23.647 10.661 1.00 0.00 C ATOM 776 CE1 PHE A 52 -4.767 21.864 12.625 1.00 0.00 C ATOM 777 CE2 PHE A 52 -4.054 22.294 10.384 1.00 0.00 C ATOM 778 CZ PHE A 52 -4.433 21.401 11.368 1.00 0.00 C ATOM 0 H PHE A 52 -5.401 26.244 10.015 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.368 25.781 12.737 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.585 26.072 11.534 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.903 25.740 13.225 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.980 23.575 13.881 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.710 24.340 9.888 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.065 21.169 13.396 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.794 21.935 9.399 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.468 20.343 11.154 1.00 0.00 H new ATOM 788 N SER A 53 -6.573 28.524 12.289 1.00 0.00 N ATOM 789 CA SER A 53 -6.587 29.931 12.671 1.00 0.00 C ATOM 790 C SER A 53 -7.954 30.331 13.217 1.00 0.00 C ATOM 791 O SER A 53 -8.051 31.054 14.209 1.00 0.00 O ATOM 792 CB SER A 53 -6.227 30.810 11.472 1.00 0.00 C ATOM 793 OG SER A 53 -4.849 31.139 11.476 1.00 0.00 O ATOM 0 H SER A 53 -7.416 28.208 11.810 1.00 0.00 H new ATOM 0 HA SER A 53 -5.844 30.077 13.455 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.477 30.290 10.548 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.822 31.723 11.495 1.00 0.00 H new ATOM 0 HG SER A 53 -4.644 31.700 10.699 1.00 0.00 H new ATOM 799 N ARG A 54 -9.009 29.857 12.561 1.00 0.00 N ATOM 800 CA ARG A 54 -10.371 30.166 12.979 1.00 0.00 C ATOM 801 C ARG A 54 -10.745 29.383 14.234 1.00 0.00 C ATOM 802 O ARG A 54 -11.604 29.806 15.009 1.00 0.00 O ATOM 803 CB ARG A 54 -11.357 29.847 11.854 1.00 0.00 C ATOM 804 CG ARG A 54 -11.354 30.875 10.734 1.00 0.00 C ATOM 805 CD ARG A 54 -12.659 31.655 10.690 1.00 0.00 C ATOM 806 NE ARG A 54 -12.448 33.055 10.334 1.00 0.00 N ATOM 807 CZ ARG A 54 -12.015 33.974 11.190 1.00 0.00 C ATOM 808 NH1 ARG A 54 -11.747 33.641 12.446 1.00 0.00 N ATOM 809 NH2 ARG A 54 -11.847 35.228 10.791 1.00 0.00 N ATOM 0 H ARG A 54 -8.946 29.258 11.738 1.00 0.00 H new ATOM 0 HA ARG A 54 -10.422 31.231 13.207 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.117 28.868 11.438 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.362 29.779 12.271 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.521 31.564 10.874 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.196 30.374 9.779 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.332 31.195 9.967 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.148 31.598 11.662 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.644 33.343 9.375 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.873 32.678 12.756 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.415 34.348 13.101 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.050 35.488 9.826 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.514 35.932 11.449 1.00 0.00 H new ATOM 823 N CYS A 55 -10.096 28.240 14.428 1.00 0.00 N ATOM 824 CA CYS A 55 -10.361 27.397 15.588 1.00 0.00 C ATOM 825 C CYS A 55 -9.768 28.009 16.853 1.00 0.00 C ATOM 826 O CYS A 55 -8.732 27.561 17.344 1.00 0.00 O ATOM 827 CB CYS A 55 -9.789 25.996 15.368 1.00 0.00 C ATOM 828 SG CYS A 55 -10.152 24.832 16.704 1.00 0.00 S ATOM 0 H CYS A 55 -9.382 27.876 13.797 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.441 27.325 15.714 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -10.185 25.596 14.435 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -8.708 26.071 15.250 1.00 0.00 H new ATOM 0 HG CYS A 55 -11.331 25.083 17.190 1.00 0.00 H new ATOM 834 N ASP A 56 -10.430 29.036 17.373 1.00 0.00 N ATOM 835 CA ASP A 56 -9.968 29.711 18.581 1.00 0.00 C ATOM 836 C ASP A 56 -10.797 29.291 19.790 1.00 0.00 C ATOM 837 O ASP A 56 -10.673 29.866 20.870 1.00 0.00 O ATOM 838 CB ASP A 56 -10.038 31.229 18.401 1.00 0.00 C ATOM 839 CG ASP A 56 -9.268 31.975 19.472 1.00 0.00 C ATOM 840 OD1 ASP A 56 -8.373 31.365 20.094 1.00 0.00 O ATOM 841 OD2 ASP A 56 -9.559 33.170 19.688 1.00 0.00 O ATOM 0 H ASP A 56 -11.288 29.420 16.977 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.932 29.421 18.756 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.641 31.494 17.421 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.081 31.546 18.420 1.00 0.00 H new ATOM 846 N MET A 57 -11.644 28.285 19.599 1.00 0.00 N ATOM 847 CA MET A 57 -12.494 27.787 20.675 1.00 0.00 C ATOM 848 C MET A 57 -11.680 26.981 21.682 1.00 0.00 C ATOM 849 O MET A 57 -10.989 26.030 21.316 1.00 0.00 O ATOM 850 CB MET A 57 -13.622 26.925 20.105 1.00 0.00 C ATOM 851 CG MET A 57 -13.135 25.821 19.180 1.00 0.00 C ATOM 852 SD MET A 57 -13.455 26.179 17.442 1.00 0.00 S ATOM 853 CE MET A 57 -14.495 24.790 16.996 1.00 0.00 C ATOM 0 H MET A 57 -11.760 27.799 18.710 1.00 0.00 H new ATOM 0 HA MET A 57 -12.927 28.645 21.189 1.00 0.00 H new ATOM 0 HB2 MET A 57 -14.179 26.478 20.929 1.00 0.00 H new ATOM 0 HB3 MET A 57 -14.317 27.564 19.560 1.00 0.00 H new ATOM 0 HG2 MET A 57 -12.065 25.676 19.326 1.00 0.00 H new ATOM 0 HG3 MET A 57 -13.623 24.885 19.450 1.00 0.00 H new ATOM 0 HE1 MET A 57 -14.921 24.957 16.007 1.00 0.00 H new ATOM 0 HE2 MET A 57 -13.899 23.878 16.985 1.00 0.00 H new ATOM 0 HE3 MET A 57 -15.299 24.689 17.725 1.00 0.00 H new ATOM 863 N ASP A 58 -11.768 27.367 22.950 1.00 0.00 N ATOM 864 CA ASP A 58 -11.040 26.679 24.010 1.00 0.00 C ATOM 865 C ASP A 58 -11.679 25.329 24.320 1.00 0.00 C ATOM 866 O ASP A 58 -10.987 24.324 24.479 1.00 0.00 O ATOM 867 CB ASP A 58 -11.000 27.540 25.273 1.00 0.00 C ATOM 868 CG ASP A 58 -12.384 27.824 25.824 1.00 0.00 C ATOM 869 OD1 ASP A 58 -13.111 28.634 25.213 1.00 0.00 O ATOM 870 OD2 ASP A 58 -12.739 27.235 26.866 1.00 0.00 O ATOM 0 H ASP A 58 -12.336 28.152 23.269 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.021 26.508 23.664 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.405 27.035 26.035 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.500 28.483 25.051 1.00 0.00 H new ATOM 875 N GLY A 59 -13.006 25.313 24.407 1.00 0.00 N ATOM 876 CA GLY A 59 -13.716 24.082 24.699 1.00 0.00 C ATOM 877 C GLY A 59 -15.218 24.278 24.749 1.00 0.00 C ATOM 878 O GLY A 59 -15.956 23.671 23.973 1.00 0.00 O ATOM 0 H GLY A 59 -13.602 26.131 24.280 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.475 23.338 23.940 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.372 23.686 25.654 1.00 0.00 H new ATOM 882 N ALA A 60 -15.673 25.125 25.667 1.00 0.00 N ATOM 883 CA ALA A 60 -17.097 25.399 25.815 1.00 0.00 C ATOM 884 C ALA A 60 -17.711 25.844 24.493 1.00 0.00 C ATOM 885 O ALA A 60 -18.885 25.588 24.223 1.00 0.00 O ATOM 886 CB ALA A 60 -17.322 26.455 26.886 1.00 0.00 C ATOM 0 H ALA A 60 -15.076 25.633 26.319 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.590 24.476 26.121 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.390 26.650 26.986 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -16.928 26.098 27.837 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -16.810 27.375 26.603 1.00 0.00 H new ATOM 892 N THR A 61 -16.911 26.514 23.669 1.00 0.00 N ATOM 893 CA THR A 61 -17.376 26.997 22.375 1.00 0.00 C ATOM 894 C THR A 61 -17.428 25.867 21.353 1.00 0.00 C ATOM 895 O THR A 61 -18.190 25.925 20.387 1.00 0.00 O ATOM 896 CB THR A 61 -16.470 28.120 21.836 1.00 0.00 C ATOM 897 OG1 THR A 61 -16.474 29.230 22.741 1.00 0.00 O ATOM 898 CG2 THR A 61 -16.937 28.579 20.462 1.00 0.00 C ATOM 0 H THR A 61 -15.937 26.734 23.876 1.00 0.00 H new ATOM 0 HA THR A 61 -18.380 27.392 22.527 1.00 0.00 H new ATOM 0 HB THR A 61 -15.457 27.728 21.747 1.00 0.00 H new ATOM 0 HG1 THR A 61 -15.894 29.939 22.392 1.00 0.00 H new ATOM 0 HG21 THR A 61 -16.282 29.372 20.101 1.00 0.00 H new ATOM 0 HG22 THR A 61 -16.906 27.739 19.768 1.00 0.00 H new ATOM 0 HG23 THR A 61 -17.958 28.955 20.531 1.00 0.00 H new ATOM 906 N LEU A 62 -16.615 24.840 21.572 1.00 0.00 N ATOM 907 CA LEU A 62 -16.569 23.695 20.669 1.00 0.00 C ATOM 908 C LEU A 62 -17.889 22.930 20.692 1.00 0.00 C ATOM 909 O LEU A 62 -18.444 22.599 19.643 1.00 0.00 O ATOM 910 CB LEU A 62 -15.420 22.762 21.056 1.00 0.00 C ATOM 911 CG LEU A 62 -15.226 21.533 20.166 1.00 0.00 C ATOM 912 CD1 LEU A 62 -14.984 21.951 18.724 1.00 0.00 C ATOM 913 CD2 LEU A 62 -14.072 20.682 20.678 1.00 0.00 C ATOM 0 H LEU A 62 -15.979 24.776 22.367 1.00 0.00 H new ATOM 0 HA LEU A 62 -16.403 24.067 19.658 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -14.494 23.338 21.054 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -15.582 22.423 22.079 1.00 0.00 H new ATOM 0 HG LEU A 62 -16.136 20.935 20.201 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -14.848 21.064 18.106 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.841 22.518 18.361 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -14.089 22.571 18.670 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -13.948 19.812 20.033 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.155 21.271 20.673 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.286 20.353 21.695 1.00 0.00 H new ATOM 925 N CYS A 63 -18.388 22.656 21.892 1.00 0.00 N ATOM 926 CA CYS A 63 -19.644 21.932 22.051 1.00 0.00 C ATOM 927 C CYS A 63 -20.827 22.797 21.627 1.00 0.00 C ATOM 928 O CYS A 63 -21.873 22.284 21.232 1.00 0.00 O ATOM 929 CB CYS A 63 -19.818 21.484 23.503 1.00 0.00 C ATOM 930 SG CYS A 63 -19.154 19.840 23.853 1.00 0.00 S ATOM 0 H CYS A 63 -17.942 22.924 22.769 1.00 0.00 H new ATOM 0 HA CYS A 63 -19.612 21.052 21.409 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -19.330 22.208 24.156 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -20.879 21.496 23.751 1.00 0.00 H new ATOM 0 HG CYS A 63 -18.391 19.895 24.904 1.00 0.00 H new ATOM 936 N ASN A 64 -20.653 24.111 21.714 1.00 0.00 N ATOM 937 CA ASN A 64 -21.708 25.048 21.341 1.00 0.00 C ATOM 938 C ASN A 64 -21.746 25.250 19.830 1.00 0.00 C ATOM 939 O ASN A 64 -22.795 25.554 19.260 1.00 0.00 O ATOM 940 CB ASN A 64 -21.496 26.391 22.042 1.00 0.00 C ATOM 941 CG ASN A 64 -22.404 26.565 23.244 1.00 0.00 C ATOM 942 OD1 ASN A 64 -23.533 26.073 23.260 1.00 0.00 O ATOM 943 ND2 ASN A 64 -21.914 27.269 24.258 1.00 0.00 N ATOM 0 H ASN A 64 -19.793 24.552 22.039 1.00 0.00 H new ATOM 0 HA ASN A 64 -22.663 24.628 21.657 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -20.457 26.472 22.360 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -21.676 27.200 21.334 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -22.479 27.420 25.094 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -20.973 27.658 24.201 1.00 0.00 H new ATOM 950 N CYS A 65 -20.597 25.080 19.186 1.00 0.00 N ATOM 951 CA CYS A 65 -20.498 25.245 17.740 1.00 0.00 C ATOM 952 C CYS A 65 -21.555 24.409 17.025 1.00 0.00 C ATOM 953 O CYS A 65 -22.138 23.496 17.608 1.00 0.00 O ATOM 954 CB CYS A 65 -19.103 24.848 17.255 1.00 0.00 C ATOM 955 SG CYS A 65 -17.908 26.205 17.255 1.00 0.00 S ATOM 0 H CYS A 65 -19.720 24.828 19.642 1.00 0.00 H new ATOM 0 HA CYS A 65 -20.671 26.295 17.506 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -18.725 24.045 17.888 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -19.182 24.447 16.244 1.00 0.00 H new ATOM 0 HG CYS A 65 -18.334 27.158 16.481 1.00 0.00 H new ATOM 961 N ALA A 66 -21.798 24.731 15.758 1.00 0.00 N ATOM 962 CA ALA A 66 -22.785 24.010 14.963 1.00 0.00 C ATOM 963 C ALA A 66 -22.111 23.037 14.003 1.00 0.00 C ATOM 964 O ALA A 66 -20.945 23.210 13.644 1.00 0.00 O ATOM 965 CB ALA A 66 -23.662 24.989 14.197 1.00 0.00 C ATOM 0 H ALA A 66 -21.325 25.486 15.261 1.00 0.00 H new ATOM 0 HA ALA A 66 -23.412 23.433 15.643 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -24.394 24.437 13.608 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -24.179 25.641 14.900 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -23.041 25.591 13.533 1.00 0.00 H new ATOM 971 N LEU A 67 -22.850 22.013 13.590 1.00 0.00 N ATOM 972 CA LEU A 67 -22.323 21.011 12.670 1.00 0.00 C ATOM 973 C LEU A 67 -21.717 21.670 11.435 1.00 0.00 C ATOM 974 O LEU A 67 -20.526 21.524 11.164 1.00 0.00 O ATOM 975 CB LEU A 67 -23.430 20.040 12.253 1.00 0.00 C ATOM 976 CG LEU A 67 -23.143 19.185 11.019 1.00 0.00 C ATOM 977 CD1 LEU A 67 -21.808 18.470 11.163 1.00 0.00 C ATOM 978 CD2 LEU A 67 -24.265 18.182 10.792 1.00 0.00 C ATOM 0 H LEU A 67 -23.816 21.855 13.878 1.00 0.00 H new ATOM 0 HA LEU A 67 -21.538 20.458 13.186 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.637 19.375 13.091 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -24.339 20.613 12.070 1.00 0.00 H new ATOM 0 HG LEU A 67 -23.088 19.842 10.151 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.621 17.866 10.275 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -21.012 19.206 11.276 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -21.834 17.825 12.041 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -24.044 17.582 9.909 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -24.352 17.530 11.661 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -25.204 18.714 10.643 1.00 0.00 H new ATOM 990 N GLU A 68 -22.546 22.397 10.692 1.00 0.00 N ATOM 991 CA GLU A 68 -22.091 23.079 9.486 1.00 0.00 C ATOM 992 C GLU A 68 -20.856 23.929 9.776 1.00 0.00 C ATOM 993 O GLU A 68 -19.998 24.107 8.913 1.00 0.00 O ATOM 994 CB GLU A 68 -23.207 23.958 8.919 1.00 0.00 C ATOM 995 CG GLU A 68 -23.479 25.205 9.744 1.00 0.00 C ATOM 996 CD GLU A 68 -24.830 25.823 9.440 1.00 0.00 C ATOM 997 OE1 GLU A 68 -25.635 25.174 8.740 1.00 0.00 O ATOM 998 OE2 GLU A 68 -25.081 26.956 9.902 1.00 0.00 O ATOM 0 H GLU A 68 -23.535 22.529 10.904 1.00 0.00 H new ATOM 0 HA GLU A 68 -21.825 22.322 8.749 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -22.944 24.255 7.904 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -24.122 23.370 8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -23.429 24.953 10.803 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -22.697 25.940 9.554 1.00 0.00 H new ATOM 1005 N GLU A 69 -20.777 24.450 10.996 1.00 0.00 N ATOM 1006 CA GLU A 69 -19.649 25.282 11.398 1.00 0.00 C ATOM 1007 C GLU A 69 -18.354 24.475 11.410 1.00 0.00 C ATOM 1008 O GLU A 69 -17.368 24.851 10.774 1.00 0.00 O ATOM 1009 CB GLU A 69 -19.899 25.885 12.782 1.00 0.00 C ATOM 1010 CG GLU A 69 -20.045 27.398 12.769 1.00 0.00 C ATOM 1011 CD GLU A 69 -19.344 28.061 13.938 1.00 0.00 C ATOM 1012 OE1 GLU A 69 -19.901 28.041 15.055 1.00 0.00 O ATOM 1013 OE2 GLU A 69 -18.236 28.601 13.735 1.00 0.00 O ATOM 0 H GLU A 69 -21.480 24.311 11.722 1.00 0.00 H new ATOM 0 HA GLU A 69 -19.548 26.088 10.671 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.803 25.445 13.203 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -19.075 25.613 13.442 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -19.639 27.791 11.837 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -21.103 27.657 12.790 1.00 0.00 H new ATOM 1020 N LEU A 70 -18.364 23.363 12.138 1.00 0.00 N ATOM 1021 CA LEU A 70 -17.191 22.501 12.234 1.00 0.00 C ATOM 1022 C LEU A 70 -16.741 22.038 10.852 1.00 0.00 C ATOM 1023 O LEU A 70 -15.567 21.732 10.641 1.00 0.00 O ATOM 1024 CB LEU A 70 -17.495 21.290 13.116 1.00 0.00 C ATOM 1025 CG LEU A 70 -18.112 21.592 14.482 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -18.467 20.302 15.205 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -17.162 22.433 15.322 1.00 0.00 C ATOM 0 H LEU A 70 -19.171 23.038 12.670 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.383 23.077 12.685 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -18.171 20.630 12.572 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.568 20.738 13.272 1.00 0.00 H new ATOM 0 HG LEU A 70 -19.029 22.161 14.327 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.905 20.537 16.175 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -19.185 19.737 14.610 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.566 19.706 15.349 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -17.618 22.638 16.291 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -16.228 21.890 15.468 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -16.959 23.374 14.810 1.00 0.00 H new ATOM 1039 N ARG A 71 -17.681 21.993 9.913 1.00 0.00 N ATOM 1040 CA ARG A 71 -17.380 21.568 8.551 1.00 0.00 C ATOM 1041 C ARG A 71 -16.730 22.699 7.760 1.00 0.00 C ATOM 1042 O ARG A 71 -16.049 22.462 6.761 1.00 0.00 O ATOM 1043 CB ARG A 71 -18.656 21.106 7.845 1.00 0.00 C ATOM 1044 CG ARG A 71 -19.351 19.947 8.541 1.00 0.00 C ATOM 1045 CD ARG A 71 -20.821 19.868 8.158 1.00 0.00 C ATOM 1046 NE ARG A 71 -21.183 18.548 7.647 1.00 0.00 N ATOM 1047 CZ ARG A 71 -22.429 18.188 7.360 1.00 0.00 C ATOM 1048 NH1 ARG A 71 -23.426 19.044 7.533 1.00 0.00 N ATOM 1049 NH2 ARG A 71 -22.679 16.969 6.898 1.00 0.00 N ATOM 0 H ARG A 71 -18.657 22.245 10.070 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.679 20.735 8.603 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.348 21.946 7.777 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -18.410 20.812 6.825 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -18.855 19.013 8.278 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -19.261 20.063 9.621 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.435 20.101 9.028 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -21.040 20.622 7.402 1.00 0.00 H new ATOM 0 HE ARG A 71 -20.439 17.866 7.503 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -23.237 19.982 7.887 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -24.382 18.765 7.312 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -21.914 16.308 6.763 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -23.636 16.693 6.678 1.00 0.00 H new ATOM 1063 N LEU A 72 -16.944 23.930 8.213 1.00 0.00 N ATOM 1064 CA LEU A 72 -16.379 25.099 7.548 1.00 0.00 C ATOM 1065 C LEU A 72 -15.034 25.477 8.160 1.00 0.00 C ATOM 1066 O LEU A 72 -14.259 26.227 7.567 1.00 0.00 O ATOM 1067 CB LEU A 72 -17.345 26.281 7.642 1.00 0.00 C ATOM 1068 CG LEU A 72 -18.219 26.533 6.413 1.00 0.00 C ATOM 1069 CD1 LEU A 72 -19.678 26.682 6.816 1.00 0.00 C ATOM 1070 CD2 LEU A 72 -17.742 27.769 5.665 1.00 0.00 C ATOM 0 H LEU A 72 -17.505 24.144 9.038 1.00 0.00 H new ATOM 0 HA LEU A 72 -16.222 24.849 6.499 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -17.997 26.124 8.501 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.766 27.183 7.842 1.00 0.00 H new ATOM 0 HG LEU A 72 -18.134 25.674 5.748 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -20.284 26.861 5.928 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -20.015 25.769 7.308 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -19.782 27.523 7.502 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -18.375 27.934 4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -17.798 28.636 6.323 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -16.711 27.624 5.342 1.00 0.00 H new ATOM 1082 N VAL A 73 -14.762 24.951 9.350 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.509 25.230 10.041 1.00 0.00 C ATOM 1084 C VAL A 73 -12.528 24.073 9.891 1.00 0.00 C ATOM 1085 O VAL A 73 -11.313 24.267 9.921 1.00 0.00 O ATOM 1086 CB VAL A 73 -13.743 25.499 11.540 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -12.422 25.759 12.248 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -14.698 26.668 11.728 1.00 0.00 C ATOM 0 H VAL A 73 -15.393 24.329 9.856 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.086 26.123 9.580 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.197 24.613 11.984 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.607 25.947 13.306 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.775 24.888 12.142 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.936 26.628 11.804 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.852 26.844 12.793 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.274 27.562 11.270 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.653 26.437 11.256 1.00 0.00 H new ATOM 1098 N PHE A 74 -13.064 22.867 9.728 1.00 0.00 N ATOM 1099 CA PHE A 74 -12.236 21.677 9.573 1.00 0.00 C ATOM 1100 C PHE A 74 -12.537 20.974 8.253 1.00 0.00 C ATOM 1101 O PHE A 74 -12.301 19.775 8.107 1.00 0.00 O ATOM 1102 CB PHE A 74 -12.466 20.715 10.740 1.00 0.00 C ATOM 1103 CG PHE A 74 -12.571 21.402 12.072 1.00 0.00 C ATOM 1104 CD1 PHE A 74 -11.518 22.158 12.561 1.00 0.00 C ATOM 1105 CD2 PHE A 74 -13.723 21.292 12.834 1.00 0.00 C ATOM 1106 CE1 PHE A 74 -11.612 22.791 13.786 1.00 0.00 C ATOM 1107 CE2 PHE A 74 -13.822 21.922 14.060 1.00 0.00 C ATOM 1108 CZ PHE A 74 -12.766 22.674 14.536 1.00 0.00 C ATOM 0 H PHE A 74 -14.068 22.689 9.700 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.192 21.989 9.569 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -13.380 20.149 10.559 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.647 19.996 10.775 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -10.614 22.254 11.978 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -14.553 20.707 12.466 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.784 23.377 14.157 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -14.725 21.826 14.645 1.00 0.00 H new ATOM 0 HZ PHE A 74 -12.842 23.170 15.493 1.00 0.00 H new ATOM 1118 N GLY A 75 -13.060 21.730 7.292 1.00 0.00 N ATOM 1119 CA GLY A 75 -13.386 21.162 5.996 1.00 0.00 C ATOM 1120 C GLY A 75 -14.396 20.037 6.093 1.00 0.00 C ATOM 1121 O GLY A 75 -15.245 20.011 6.984 1.00 0.00 O ATOM 0 H GLY A 75 -13.264 22.725 7.388 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.780 21.945 5.349 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.476 20.789 5.527 1.00 0.00 H new ATOM 1125 N PRO A 76 -14.313 19.079 5.158 1.00 0.00 N ATOM 1126 CA PRO A 76 -15.221 17.929 5.119 1.00 0.00 C ATOM 1127 C PRO A 76 -14.978 16.961 6.272 1.00 0.00 C ATOM 1128 O PRO A 76 -15.733 16.007 6.465 1.00 0.00 O ATOM 1129 CB PRO A 76 -14.892 17.262 3.782 1.00 0.00 C ATOM 1130 CG PRO A 76 -13.487 17.664 3.493 1.00 0.00 C ATOM 1131 CD PRO A 76 -13.326 19.046 4.065 1.00 0.00 C ATOM 0 HA PRO A 76 -16.264 18.229 5.215 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -14.988 16.178 3.846 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.569 17.596 2.996 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.781 16.969 3.947 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.293 17.660 2.420 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.314 19.214 4.432 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.526 19.816 3.319 1.00 0.00 H new ATOM 1139 N LEU A 77 -13.921 17.211 7.037 1.00 0.00 N ATOM 1140 CA LEU A 77 -13.579 16.362 8.172 1.00 0.00 C ATOM 1141 C LEU A 77 -14.525 16.611 9.343 1.00 0.00 C ATOM 1142 O LEU A 77 -14.726 15.739 10.187 1.00 0.00 O ATOM 1143 CB LEU A 77 -12.134 16.613 8.606 1.00 0.00 C ATOM 1144 CG LEU A 77 -11.604 15.719 9.727 1.00 0.00 C ATOM 1145 CD1 LEU A 77 -11.829 14.253 9.392 1.00 0.00 C ATOM 1146 CD2 LEU A 77 -10.128 15.991 9.974 1.00 0.00 C ATOM 0 H LEU A 77 -13.286 17.996 6.891 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.682 15.323 7.860 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.488 16.492 7.736 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.047 17.652 8.925 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.153 15.950 10.640 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.445 13.632 10.201 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.896 14.068 9.267 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.307 14.007 8.467 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.768 15.346 10.775 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.563 15.789 9.064 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.993 17.034 10.260 1.00 0.00 H new ATOM 1158 N GLY A 78 -15.104 17.807 9.386 1.00 0.00 N ATOM 1159 CA GLY A 78 -16.022 18.148 10.456 1.00 0.00 C ATOM 1160 C GLY A 78 -17.120 17.117 10.629 1.00 0.00 C ATOM 1161 O GLY A 78 -17.480 16.766 11.753 1.00 0.00 O ATOM 0 H GLY A 78 -14.953 18.546 8.699 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -15.467 18.244 11.390 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -16.470 19.120 10.250 1.00 0.00 H new ATOM 1165 N ASP A 79 -17.654 16.631 9.514 1.00 0.00 N ATOM 1166 CA ASP A 79 -18.718 15.634 9.547 1.00 0.00 C ATOM 1167 C ASP A 79 -18.322 14.446 10.418 1.00 0.00 C ATOM 1168 O ASP A 79 -19.175 13.792 11.016 1.00 0.00 O ATOM 1169 CB ASP A 79 -19.044 15.158 8.131 1.00 0.00 C ATOM 1170 CG ASP A 79 -20.409 14.504 8.040 1.00 0.00 C ATOM 1171 OD1 ASP A 79 -21.279 14.827 8.877 1.00 0.00 O ATOM 1172 OD2 ASP A 79 -20.608 13.671 7.131 1.00 0.00 O ATOM 0 H ASP A 79 -17.368 16.911 8.576 1.00 0.00 H new ATOM 0 HA ASP A 79 -19.605 16.099 9.979 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -19.004 16.006 7.448 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -18.282 14.450 7.805 1.00 0.00 H new ATOM 1177 N GLN A 80 -17.023 14.173 10.482 1.00 0.00 N ATOM 1178 CA GLN A 80 -16.515 13.062 11.278 1.00 0.00 C ATOM 1179 C GLN A 80 -16.202 13.510 12.702 1.00 0.00 C ATOM 1180 O GLN A 80 -16.427 12.771 13.661 1.00 0.00 O ATOM 1181 CB GLN A 80 -15.261 12.473 10.629 1.00 0.00 C ATOM 1182 CG GLN A 80 -15.530 11.782 9.302 1.00 0.00 C ATOM 1183 CD GLN A 80 -16.655 10.770 9.389 1.00 0.00 C ATOM 1184 OE1 GLN A 80 -16.508 9.712 10.001 1.00 0.00 O ATOM 1185 NE2 GLN A 80 -17.788 11.090 8.775 1.00 0.00 N ATOM 0 H GLN A 80 -16.304 14.705 9.993 1.00 0.00 H new ATOM 0 HA GLN A 80 -17.288 12.295 11.320 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.534 13.270 10.473 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.808 11.758 11.316 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -15.778 12.531 8.550 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -14.622 11.282 8.966 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -17.866 11.978 8.279 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -18.580 10.448 8.799 1.00 0.00 H new ATOM 1194 N LEU A 81 -15.681 14.725 12.833 1.00 0.00 N ATOM 1195 CA LEU A 81 -15.337 15.273 14.140 1.00 0.00 C ATOM 1196 C LEU A 81 -16.585 15.472 14.994 1.00 0.00 C ATOM 1197 O LEU A 81 -16.559 15.267 16.208 1.00 0.00 O ATOM 1198 CB LEU A 81 -14.598 16.603 13.979 1.00 0.00 C ATOM 1199 CG LEU A 81 -13.244 16.538 13.271 1.00 0.00 C ATOM 1200 CD1 LEU A 81 -12.735 17.937 12.964 1.00 0.00 C ATOM 1201 CD2 LEU A 81 -12.236 15.775 14.118 1.00 0.00 C ATOM 0 H LEU A 81 -15.488 15.349 12.050 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.685 14.560 14.644 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.241 17.288 13.427 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -14.447 17.034 14.969 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.373 16.006 12.328 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.771 17.871 12.460 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.447 18.450 12.318 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.621 18.495 13.893 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.278 15.738 13.599 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.110 16.279 15.076 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.596 14.760 14.286 1.00 0.00 H new ATOM 1213 N HIS A 82 -17.678 15.870 14.350 1.00 0.00 N ATOM 1214 CA HIS A 82 -18.938 16.094 15.050 1.00 0.00 C ATOM 1215 C HIS A 82 -19.452 14.799 15.671 1.00 0.00 C ATOM 1216 O HIS A 82 -19.848 14.771 16.836 1.00 0.00 O ATOM 1217 CB HIS A 82 -19.984 16.664 14.092 1.00 0.00 C ATOM 1218 CG HIS A 82 -21.231 17.133 14.776 1.00 0.00 C ATOM 1219 ND1 HIS A 82 -22.347 16.338 14.935 1.00 0.00 N ATOM 1220 CD2 HIS A 82 -21.535 18.323 15.346 1.00 0.00 C ATOM 1221 CE1 HIS A 82 -23.283 17.019 15.571 1.00 0.00 C ATOM 1222 NE2 HIS A 82 -22.815 18.226 15.832 1.00 0.00 N ATOM 0 H HIS A 82 -17.716 16.044 13.346 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.758 16.813 15.849 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -19.546 17.497 13.543 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -20.247 15.902 13.359 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -20.890 19.187 15.407 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -24.264 16.651 15.833 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -23.323 18.966 16.316 1.00 0.00 H new ATOM 1230 N ALA A 83 -19.444 13.727 14.884 1.00 0.00 N ATOM 1231 CA ALA A 83 -19.908 12.429 15.357 1.00 0.00 C ATOM 1232 C ALA A 83 -19.227 12.046 16.667 1.00 0.00 C ATOM 1233 O ALA A 83 -19.864 11.513 17.575 1.00 0.00 O ATOM 1234 CB ALA A 83 -19.660 11.363 14.300 1.00 0.00 C ATOM 0 H ALA A 83 -19.121 13.733 13.916 1.00 0.00 H new ATOM 0 HA ALA A 83 -20.980 12.500 15.542 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -20.011 10.398 14.667 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -20.198 11.623 13.388 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -18.593 11.303 14.087 1.00 0.00 H new ATOM 1240 N GLN A 84 -17.930 12.320 16.756 1.00 0.00 N ATOM 1241 CA GLN A 84 -17.163 12.003 17.955 1.00 0.00 C ATOM 1242 C GLN A 84 -17.570 12.903 19.116 1.00 0.00 C ATOM 1243 O GLN A 84 -17.836 12.428 20.221 1.00 0.00 O ATOM 1244 CB GLN A 84 -15.665 12.149 17.682 1.00 0.00 C ATOM 1245 CG GLN A 84 -15.027 10.897 17.101 1.00 0.00 C ATOM 1246 CD GLN A 84 -14.342 10.049 18.155 1.00 0.00 C ATOM 1247 OE1 GLN A 84 -13.332 10.453 18.733 1.00 0.00 O ATOM 1248 NE2 GLN A 84 -14.889 8.867 18.411 1.00 0.00 N ATOM 0 H GLN A 84 -17.388 12.761 16.013 1.00 0.00 H new ATOM 0 HA GLN A 84 -17.376 10.970 18.229 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -15.509 12.979 16.993 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.158 12.407 18.612 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -15.792 10.302 16.602 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -14.300 11.183 16.341 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -15.726 8.573 17.908 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -14.472 8.253 19.111 1.00 0.00 H new ATOM 1257 N LEU A 85 -17.617 14.206 18.860 1.00 0.00 N ATOM 1258 CA LEU A 85 -17.992 15.174 19.885 1.00 0.00 C ATOM 1259 C LEU A 85 -19.367 14.852 20.461 1.00 0.00 C ATOM 1260 O LEU A 85 -19.619 15.065 21.647 1.00 0.00 O ATOM 1261 CB LEU A 85 -17.990 16.589 19.303 1.00 0.00 C ATOM 1262 CG LEU A 85 -16.671 17.356 19.408 1.00 0.00 C ATOM 1263 CD1 LEU A 85 -16.730 18.633 18.585 1.00 0.00 C ATOM 1264 CD2 LEU A 85 -16.351 17.670 20.862 1.00 0.00 C ATOM 0 H LEU A 85 -17.400 14.616 17.952 1.00 0.00 H new ATOM 0 HA LEU A 85 -17.259 15.117 20.689 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -18.269 16.528 18.251 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -18.765 17.168 19.805 1.00 0.00 H new ATOM 0 HG LEU A 85 -15.874 16.728 19.009 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.783 19.166 18.672 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.912 18.384 17.540 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -17.537 19.266 18.953 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.409 18.216 20.918 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -17.149 18.279 21.287 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -16.265 16.740 21.425 1.00 0.00 H new ATOM 1276 N ARG A 86 -20.252 14.334 19.615 1.00 0.00 N ATOM 1277 CA ARG A 86 -21.600 13.981 20.041 1.00 0.00 C ATOM 1278 C ARG A 86 -21.570 12.837 21.050 1.00 0.00 C ATOM 1279 O ARG A 86 -22.452 12.722 21.901 1.00 0.00 O ATOM 1280 CB ARG A 86 -22.453 13.587 18.834 1.00 0.00 C ATOM 1281 CG ARG A 86 -23.021 14.776 18.076 1.00 0.00 C ATOM 1282 CD ARG A 86 -24.423 14.490 17.562 1.00 0.00 C ATOM 1283 NE ARG A 86 -25.409 15.412 18.120 1.00 0.00 N ATOM 1284 CZ ARG A 86 -26.643 15.544 17.645 1.00 0.00 C ATOM 1285 NH1 ARG A 86 -27.040 14.818 16.609 1.00 0.00 N ATOM 1286 NH2 ARG A 86 -27.482 16.404 18.207 1.00 0.00 N ATOM 0 H ARG A 86 -20.059 14.150 18.631 1.00 0.00 H new ATOM 0 HA ARG A 86 -22.042 14.854 20.521 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -21.849 12.988 18.153 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -23.275 12.955 19.171 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -23.043 15.649 18.729 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -22.368 15.021 17.238 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -24.432 14.564 16.475 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -24.700 13.466 17.815 1.00 0.00 H new ATOM 0 HE ARG A 86 -25.135 15.986 18.918 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -26.398 14.156 16.174 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -27.988 14.922 16.247 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -27.180 16.964 19.004 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -28.429 16.505 17.842 1.00 0.00 H new ATOM 1300 N ASP A 87 -20.549 11.993 20.949 1.00 0.00 N ATOM 1301 CA ASP A 87 -20.402 10.858 21.853 1.00 0.00 C ATOM 1302 C ASP A 87 -19.749 11.287 23.163 1.00 0.00 C ATOM 1303 O ASP A 87 -20.062 10.756 24.229 1.00 0.00 O ATOM 1304 CB ASP A 87 -19.573 9.756 21.192 1.00 0.00 C ATOM 1305 CG ASP A 87 -20.424 8.588 20.732 1.00 0.00 C ATOM 1306 OD1 ASP A 87 -21.534 8.831 20.216 1.00 0.00 O ATOM 1307 OD2 ASP A 87 -19.979 7.432 20.889 1.00 0.00 O ATOM 0 H ASP A 87 -19.811 12.073 20.250 1.00 0.00 H new ATOM 0 HA ASP A 87 -21.396 10.470 22.074 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.038 10.171 20.338 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -18.821 9.399 21.896 1.00 0.00 H new ATOM 1312 N LEU A 88 -18.838 12.250 23.076 1.00 0.00 N ATOM 1313 CA LEU A 88 -18.139 12.751 24.254 1.00 0.00 C ATOM 1314 C LEU A 88 -19.121 13.337 25.263 1.00 0.00 C ATOM 1315 O LEU A 88 -18.955 13.179 26.473 1.00 0.00 O ATOM 1316 CB LEU A 88 -17.112 13.810 23.850 1.00 0.00 C ATOM 1317 CG LEU A 88 -15.846 13.291 23.167 1.00 0.00 C ATOM 1318 CD1 LEU A 88 -15.266 14.351 22.243 1.00 0.00 C ATOM 1319 CD2 LEU A 88 -14.817 12.865 24.203 1.00 0.00 C ATOM 0 H LEU A 88 -18.566 12.700 22.202 1.00 0.00 H new ATOM 0 HA LEU A 88 -17.623 11.913 24.723 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.597 14.521 23.181 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -16.819 14.362 24.743 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.111 12.420 22.568 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.366 13.964 21.766 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -16.000 14.609 21.479 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -15.016 15.241 22.821 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -13.923 12.499 23.699 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.556 13.718 24.829 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.233 12.072 24.825 1.00 0.00 H new ATOM 1331 N THR A 89 -20.148 14.014 24.757 1.00 0.00 N ATOM 1332 CA THR A 89 -21.158 14.623 25.612 1.00 0.00 C ATOM 1333 C THR A 89 -22.353 13.695 25.798 1.00 0.00 C ATOM 1334 O THR A 89 -22.812 13.475 26.919 1.00 0.00 O ATOM 1335 CB THR A 89 -21.649 15.964 25.035 1.00 0.00 C ATOM 1336 OG1 THR A 89 -22.018 15.800 23.661 1.00 0.00 O ATOM 1337 CG2 THR A 89 -20.571 17.031 25.152 1.00 0.00 C ATOM 0 H THR A 89 -20.301 14.154 23.758 1.00 0.00 H new ATOM 0 HA THR A 89 -20.687 14.803 26.578 1.00 0.00 H new ATOM 0 HB THR A 89 -22.519 16.285 25.609 1.00 0.00 H new ATOM 0 HG1 THR A 89 -22.331 16.657 23.302 1.00 0.00 H new ATOM 0 HG21 THR A 89 -20.941 17.969 24.738 1.00 0.00 H new ATOM 0 HG22 THR A 89 -20.313 17.174 26.201 1.00 0.00 H new ATOM 0 HG23 THR A 89 -19.685 16.715 24.601 1.00 0.00 H new ATOM 1345 N SER A 90 -22.853 13.152 24.692 1.00 0.00 N ATOM 1346 CA SER A 90 -23.997 12.249 24.734 1.00 0.00 C ATOM 1347 C SER A 90 -23.621 10.870 24.201 1.00 0.00 C ATOM 1348 O SER A 90 -23.664 10.626 22.995 1.00 0.00 O ATOM 1349 CB SER A 90 -25.157 12.825 23.918 1.00 0.00 C ATOM 1350 OG SER A 90 -26.230 11.902 23.837 1.00 0.00 O ATOM 0 H SER A 90 -22.484 13.322 23.756 1.00 0.00 H new ATOM 0 HA SER A 90 -24.309 12.145 25.773 1.00 0.00 H new ATOM 0 HB2 SER A 90 -25.504 13.751 24.376 1.00 0.00 H new ATOM 0 HB3 SER A 90 -24.812 13.075 22.915 1.00 0.00 H new ATOM 0 HG SER A 90 -26.959 12.293 23.312 1.00 0.00 H new ATOM 1356 N SER A 91 -23.251 9.973 25.109 1.00 0.00 N ATOM 1357 CA SER A 91 -22.863 8.619 24.731 1.00 0.00 C ATOM 1358 C SER A 91 -24.032 7.878 24.087 1.00 0.00 C ATOM 1359 O SER A 91 -23.871 7.210 23.066 1.00 0.00 O ATOM 1360 CB SER A 91 -22.368 7.847 25.956 1.00 0.00 C ATOM 1361 OG SER A 91 -21.504 8.645 26.746 1.00 0.00 O ATOM 0 H SER A 91 -23.212 10.159 26.111 1.00 0.00 H new ATOM 0 HA SER A 91 -22.055 8.689 24.003 1.00 0.00 H new ATOM 0 HB2 SER A 91 -23.220 7.524 26.555 1.00 0.00 H new ATOM 0 HB3 SER A 91 -21.845 6.946 25.635 1.00 0.00 H new ATOM 0 HG SER A 91 -21.203 8.130 27.523 1.00 0.00 H new ATOM 1367 N SER A 92 -25.208 8.002 24.693 1.00 0.00 N ATOM 1368 CA SER A 92 -26.404 7.342 24.183 1.00 0.00 C ATOM 1369 C SER A 92 -27.385 8.361 23.611 1.00 0.00 C ATOM 1370 O SER A 92 -28.597 8.224 23.766 1.00 0.00 O ATOM 1371 CB SER A 92 -27.079 6.533 25.292 1.00 0.00 C ATOM 1372 OG SER A 92 -27.807 7.378 26.168 1.00 0.00 O ATOM 0 H SER A 92 -25.358 8.553 25.538 1.00 0.00 H new ATOM 0 HA SER A 92 -26.102 6.666 23.383 1.00 0.00 H new ATOM 0 HB2 SER A 92 -27.750 5.795 24.852 1.00 0.00 H new ATOM 0 HB3 SER A 92 -26.325 5.982 25.855 1.00 0.00 H new ATOM 0 HG SER A 92 -28.582 7.749 25.696 1.00 0.00 H new TER 1378 SER A 92