USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 657 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 25 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 28 THR OG1 : rot -170:sc= 0.00903 USER MOD Single : A 8 MET CE :methyl -174:sc=-0.00425 (180deg=-0.0209) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0.388 X(o=0.39,f=0) USER MOD Single : A 22 CYS SG : rot 20:sc= 0.432 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 140:sc= -0.129 USER MOD Single : A 31 GLN : amide:sc= -0.0597 X(o=-0.06,f=-0.06) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 63:sc= 0.293 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 63 HIS : no HD1:sc= -3.69! C(o=-3.7!,f=-3.7!) USER MOD Single : A 65 ASN : amide:sc= -1.58 K(o=-1.6,f=-5.1!) USER MOD Single : A 69 SER OG : rot -54:sc= 1.12 USER MOD Single : A 71 ASN : amide:sc= -1.28 K(o=-1.3,f=-4.9!) USER MOD Single : A 72 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.166) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.562 K(o=-0.56,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 4.360 10.921 -4.642 1.00 0.00 N ATOM 60 CA GLY A 7 3.102 10.839 -3.922 1.00 0.00 C ATOM 61 C GLY A 7 3.241 11.231 -2.465 1.00 0.00 C ATOM 62 O GLY A 7 3.974 12.163 -2.133 1.00 0.00 O ATOM 0 HA2 GLY A 7 2.370 11.489 -4.401 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.716 9.822 -3.986 1.00 0.00 H new ATOM 66 N MET A 8 2.536 10.520 -1.592 1.00 0.00 N ATOM 67 CA MET A 8 2.584 10.799 -0.162 1.00 0.00 C ATOM 68 C MET A 8 2.922 9.539 0.628 1.00 0.00 C ATOM 69 O MET A 8 3.042 8.454 0.060 1.00 0.00 O ATOM 70 CB MET A 8 1.246 11.369 0.314 1.00 0.00 C ATOM 71 CG MET A 8 0.108 10.363 0.274 1.00 0.00 C ATOM 72 SD MET A 8 -1.482 11.094 0.708 1.00 0.00 S ATOM 73 CE MET A 8 -1.865 10.201 2.213 1.00 0.00 C ATOM 0 H MET A 8 1.924 9.746 -1.850 1.00 0.00 H new ATOM 0 HA MET A 8 3.368 11.536 0.012 1.00 0.00 H new ATOM 0 HB2 MET A 8 1.359 11.737 1.334 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.984 12.226 -0.306 1.00 0.00 H new ATOM 0 HG2 MET A 8 0.045 9.932 -0.725 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.327 9.545 0.961 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.869 10.464 2.547 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.815 9.129 2.023 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.145 10.466 2.987 1.00 0.00 H new ATOM 83 N GLU A 9 3.075 9.691 1.940 1.00 0.00 N ATOM 84 CA GLU A 9 3.401 8.563 2.806 1.00 0.00 C ATOM 85 C GLU A 9 2.149 8.028 3.495 1.00 0.00 C ATOM 86 O GLU A 9 1.395 8.782 4.112 1.00 0.00 O ATOM 87 CB GLU A 9 4.436 8.979 3.853 1.00 0.00 C ATOM 88 CG GLU A 9 5.776 9.379 3.260 1.00 0.00 C ATOM 89 CD GLU A 9 5.691 10.643 2.426 1.00 0.00 C ATOM 90 OE1 GLU A 9 5.215 11.671 2.953 1.00 0.00 O ATOM 91 OE2 GLU A 9 6.100 10.604 1.247 1.00 0.00 O ATOM 0 H GLU A 9 2.979 10.583 2.426 1.00 0.00 H new ATOM 0 HA GLU A 9 3.820 7.770 2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.040 9.814 4.431 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.588 8.154 4.549 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.496 9.527 4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.153 8.565 2.641 1.00 0.00 H new ATOM 98 N LEU A 10 1.934 6.722 3.386 1.00 0.00 N ATOM 99 CA LEU A 10 0.774 6.083 3.999 1.00 0.00 C ATOM 100 C LEU A 10 1.202 5.109 5.092 1.00 0.00 C ATOM 101 O LEU A 10 2.077 4.269 4.882 1.00 0.00 O ATOM 102 CB LEU A 10 -0.047 5.349 2.938 1.00 0.00 C ATOM 103 CG LEU A 10 -1.518 5.103 3.279 1.00 0.00 C ATOM 104 CD1 LEU A 10 -2.372 6.281 2.838 1.00 0.00 C ATOM 105 CD2 LEU A 10 -2.007 3.815 2.633 1.00 0.00 C ATOM 0 H LEU A 10 2.548 6.084 2.879 1.00 0.00 H new ATOM 0 HA LEU A 10 0.159 6.860 4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.000 5.921 2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.426 4.387 2.743 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.608 5.000 4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.415 6.088 3.089 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.037 7.184 3.348 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.277 6.416 1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.055 3.656 2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.902 3.888 1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.414 2.977 2.999 1.00 0.00 H new ATOM 117 N LYS A 11 0.578 5.227 6.259 1.00 0.00 N ATOM 118 CA LYS A 11 0.891 4.355 7.385 1.00 0.00 C ATOM 119 C LYS A 11 -0.098 3.197 7.468 1.00 0.00 C ATOM 120 O LYS A 11 -1.311 3.404 7.508 1.00 0.00 O ATOM 121 CB LYS A 11 0.871 5.150 8.693 1.00 0.00 C ATOM 122 CG LYS A 11 2.047 6.100 8.845 1.00 0.00 C ATOM 123 CD LYS A 11 1.854 7.042 10.021 1.00 0.00 C ATOM 124 CE LYS A 11 3.186 7.463 10.623 1.00 0.00 C ATOM 125 NZ LYS A 11 3.033 7.954 12.020 1.00 0.00 N ATOM 0 H LYS A 11 -0.148 5.918 6.450 1.00 0.00 H new ATOM 0 HA LYS A 11 1.890 3.947 7.229 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.056 5.721 8.747 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.866 4.454 9.532 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.964 5.527 8.984 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.169 6.679 7.930 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.306 7.926 9.694 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.247 6.554 10.784 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.874 6.618 10.608 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.630 8.247 10.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.963 8.231 12.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.396 8.776 12.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.633 7.198 12.612 1.00 0.00 H new ATOM 139 N VAL A 12 0.428 1.976 7.493 1.00 0.00 N ATOM 140 CA VAL A 12 -0.409 0.785 7.573 1.00 0.00 C ATOM 141 C VAL A 12 0.066 -0.147 8.683 1.00 0.00 C ATOM 142 O VAL A 12 1.202 -0.046 9.148 1.00 0.00 O ATOM 143 CB VAL A 12 -0.417 0.014 6.240 1.00 0.00 C ATOM 144 CG1 VAL A 12 -0.758 0.945 5.087 1.00 0.00 C ATOM 145 CG2 VAL A 12 0.925 -0.665 6.009 1.00 0.00 C ATOM 0 H VAL A 12 1.430 1.786 7.459 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.421 1.124 7.795 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.185 -0.758 6.291 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.759 0.383 4.153 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.744 1.380 5.250 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.016 1.741 5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.901 -1.205 5.063 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.713 0.088 5.978 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.123 -1.364 6.821 1.00 0.00 H new ATOM 155 N TRP A 13 -0.810 -1.052 9.103 1.00 0.00 N ATOM 156 CA TRP A 13 -0.480 -2.002 10.159 1.00 0.00 C ATOM 157 C TRP A 13 -0.414 -3.424 9.611 1.00 0.00 C ATOM 158 O TRP A 13 -1.442 -4.038 9.327 1.00 0.00 O ATOM 159 CB TRP A 13 -1.512 -1.924 11.285 1.00 0.00 C ATOM 160 CG TRP A 13 -1.424 -0.659 12.084 1.00 0.00 C ATOM 161 CD1 TRP A 13 -2.116 0.498 11.866 1.00 0.00 C ATOM 162 CD2 TRP A 13 -0.596 -0.423 13.228 1.00 0.00 C ATOM 163 NE1 TRP A 13 -1.768 1.439 12.805 1.00 0.00 N ATOM 164 CE2 TRP A 13 -0.838 0.898 13.652 1.00 0.00 C ATOM 165 CE3 TRP A 13 0.325 -1.200 13.936 1.00 0.00 C ATOM 166 CZ2 TRP A 13 -0.191 1.457 14.751 1.00 0.00 C ATOM 167 CZ3 TRP A 13 0.966 -0.644 15.026 1.00 0.00 C ATOM 168 CH2 TRP A 13 0.706 0.673 15.426 1.00 0.00 C ATOM 0 H TRP A 13 -1.754 -1.148 8.729 1.00 0.00 H new ATOM 0 HA TRP A 13 0.501 -1.739 10.556 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.512 -2.007 10.859 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.378 -2.776 11.951 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.832 0.651 11.072 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -2.142 2.386 12.862 1.00 0.00 H new ATOM 0 HE3 TRP A 13 0.532 -2.217 13.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -0.390 2.473 15.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.680 -1.235 15.580 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.223 1.078 16.283 1.00 0.00 H new ATOM 179 N VAL A 14 0.802 -3.941 9.465 1.00 0.00 N ATOM 180 CA VAL A 14 1.001 -5.292 8.952 1.00 0.00 C ATOM 181 C VAL A 14 1.571 -6.209 10.027 1.00 0.00 C ATOM 182 O VAL A 14 2.767 -6.174 10.318 1.00 0.00 O ATOM 183 CB VAL A 14 1.945 -5.296 7.735 1.00 0.00 C ATOM 184 CG1 VAL A 14 2.054 -6.695 7.149 1.00 0.00 C ATOM 185 CG2 VAL A 14 1.465 -4.305 6.685 1.00 0.00 C ATOM 0 H VAL A 14 1.664 -3.445 9.694 1.00 0.00 H new ATOM 0 HA VAL A 14 0.023 -5.662 8.645 1.00 0.00 H new ATOM 0 HB VAL A 14 2.937 -4.988 8.065 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.725 -6.678 6.290 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.447 -7.376 7.904 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.068 -7.035 6.832 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.144 -4.321 5.832 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.463 -4.580 6.356 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.444 -3.303 7.113 1.00 0.00 H new ATOM 195 N ASP A 15 0.708 -7.031 10.614 1.00 0.00 N ATOM 196 CA ASP A 15 1.125 -7.961 11.657 1.00 0.00 C ATOM 197 C ASP A 15 1.515 -7.212 12.928 1.00 0.00 C ATOM 198 O ASP A 15 2.348 -7.679 13.705 1.00 0.00 O ATOM 199 CB ASP A 15 2.300 -8.812 11.171 1.00 0.00 C ATOM 200 CG ASP A 15 2.322 -10.187 11.810 1.00 0.00 C ATOM 201 OD1 ASP A 15 1.831 -10.319 12.951 1.00 0.00 O ATOM 202 OD2 ASP A 15 2.828 -11.131 11.169 1.00 0.00 O ATOM 0 H ASP A 15 -0.285 -7.072 10.385 1.00 0.00 H new ATOM 0 HA ASP A 15 0.283 -8.614 11.885 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.244 -8.919 10.088 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.234 -8.296 11.393 1.00 0.00 H new ATOM 207 N GLY A 16 0.909 -6.047 13.132 1.00 0.00 N ATOM 208 CA GLY A 16 1.206 -5.252 14.309 1.00 0.00 C ATOM 209 C GLY A 16 2.464 -4.422 14.146 1.00 0.00 C ATOM 210 O GLY A 16 3.117 -4.070 15.128 1.00 0.00 O ATOM 0 H GLY A 16 0.217 -5.639 12.503 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.364 -4.593 14.520 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.318 -5.911 15.170 1.00 0.00 H new ATOM 214 N VAL A 17 2.807 -4.110 12.900 1.00 0.00 N ATOM 215 CA VAL A 17 3.996 -3.317 12.610 1.00 0.00 C ATOM 216 C VAL A 17 3.681 -2.193 11.629 1.00 0.00 C ATOM 217 O VAL A 17 3.167 -2.435 10.537 1.00 0.00 O ATOM 218 CB VAL A 17 5.125 -4.189 12.030 1.00 0.00 C ATOM 219 CG1 VAL A 17 6.347 -3.340 11.715 1.00 0.00 C ATOM 220 CG2 VAL A 17 5.479 -5.312 12.993 1.00 0.00 C ATOM 0 H VAL A 17 2.278 -4.394 12.075 1.00 0.00 H new ATOM 0 HA VAL A 17 4.328 -2.888 13.555 1.00 0.00 H new ATOM 0 HB VAL A 17 4.774 -4.636 11.100 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.134 -3.973 11.306 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.081 -2.575 10.985 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.703 -2.862 12.628 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.278 -5.918 12.567 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.811 -4.888 13.941 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.602 -5.936 13.163 1.00 0.00 H new ATOM 230 N GLN A 18 3.994 -0.964 12.026 1.00 0.00 N ATOM 231 CA GLN A 18 3.744 0.198 11.181 1.00 0.00 C ATOM 232 C GLN A 18 4.656 0.188 9.959 1.00 0.00 C ATOM 233 O GLN A 18 5.879 0.122 10.085 1.00 0.00 O ATOM 234 CB GLN A 18 3.951 1.488 11.976 1.00 0.00 C ATOM 235 CG GLN A 18 3.285 2.703 11.350 1.00 0.00 C ATOM 236 CD GLN A 18 1.841 2.865 11.783 1.00 0.00 C ATOM 237 OE1 GLN A 18 1.551 3.533 12.776 1.00 0.00 O ATOM 238 NE2 GLN A 18 0.927 2.255 11.038 1.00 0.00 N ATOM 0 H GLN A 18 4.421 -0.747 12.927 1.00 0.00 H new ATOM 0 HA GLN A 18 2.710 0.152 10.841 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.561 1.350 12.984 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.020 1.679 12.071 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.844 3.599 11.621 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.327 2.617 10.264 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.213 1.712 10.223 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.061 2.330 11.280 1.00 0.00 H new ATOM 247 N ARG A 19 4.053 0.255 8.776 1.00 0.00 N ATOM 248 CA ARG A 19 4.811 0.252 7.531 1.00 0.00 C ATOM 249 C ARG A 19 4.472 1.476 6.685 1.00 0.00 C ATOM 250 O ARG A 19 3.367 1.589 6.154 1.00 0.00 O ATOM 251 CB ARG A 19 4.525 -1.024 6.737 1.00 0.00 C ATOM 252 CG ARG A 19 5.160 -2.269 7.336 1.00 0.00 C ATOM 253 CD ARG A 19 6.614 -2.411 6.914 1.00 0.00 C ATOM 254 NE ARG A 19 7.495 -1.537 7.683 1.00 0.00 N ATOM 255 CZ ARG A 19 8.714 -1.188 7.286 1.00 0.00 C ATOM 256 NH1 ARG A 19 9.193 -1.637 6.134 1.00 0.00 N ATOM 257 NH2 ARG A 19 9.456 -0.388 8.042 1.00 0.00 N ATOM 0 H ARG A 19 3.042 0.312 8.654 1.00 0.00 H new ATOM 0 HA ARG A 19 5.871 0.286 7.781 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.447 -1.170 6.676 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.888 -0.896 5.717 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.098 -2.223 8.423 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.601 -3.151 7.022 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.929 -3.447 7.042 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.708 -2.178 5.853 1.00 0.00 H new ATOM 0 HE ARG A 19 7.156 -1.174 8.574 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.625 -2.252 5.551 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.129 -1.368 5.831 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.090 -0.041 8.929 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.392 -0.121 7.736 1.00 0.00 H new ATOM 271 N ILE A 20 5.430 2.389 6.565 1.00 0.00 N ATOM 272 CA ILE A 20 5.233 3.604 5.784 1.00 0.00 C ATOM 273 C ILE A 20 5.643 3.395 4.330 1.00 0.00 C ATOM 274 O ILE A 20 6.756 2.953 4.045 1.00 0.00 O ATOM 275 CB ILE A 20 6.033 4.784 6.367 1.00 0.00 C ATOM 276 CG1 ILE A 20 5.507 5.147 7.757 1.00 0.00 C ATOM 277 CG2 ILE A 20 5.958 5.985 5.436 1.00 0.00 C ATOM 278 CD1 ILE A 20 6.362 6.165 8.479 1.00 0.00 C ATOM 0 H ILE A 20 6.350 2.310 6.998 1.00 0.00 H new ATOM 0 HA ILE A 20 4.170 3.839 5.829 1.00 0.00 H new ATOM 0 HB ILE A 20 7.077 4.486 6.461 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.493 5.537 7.663 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.445 4.242 8.361 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.528 6.811 5.861 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.374 5.719 4.465 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.918 6.287 5.314 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.930 6.375 9.457 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.370 5.770 8.605 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.403 7.085 7.896 1.00 0.00 H new ATOM 290 N VAL A 21 4.737 3.719 3.413 1.00 0.00 N ATOM 291 CA VAL A 21 5.004 3.570 1.987 1.00 0.00 C ATOM 292 C VAL A 21 4.968 4.919 1.278 1.00 0.00 C ATOM 293 O VAL A 21 3.924 5.568 1.209 1.00 0.00 O ATOM 294 CB VAL A 21 3.988 2.624 1.321 1.00 0.00 C ATOM 295 CG1 VAL A 21 4.216 2.568 -0.182 1.00 0.00 C ATOM 296 CG2 VAL A 21 4.073 1.234 1.934 1.00 0.00 C ATOM 0 H VAL A 21 3.811 4.087 3.632 1.00 0.00 H new ATOM 0 HA VAL A 21 6.002 3.141 1.895 1.00 0.00 H new ATOM 0 HB VAL A 21 2.985 3.013 1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.489 1.895 -0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.100 3.566 -0.605 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.223 2.203 -0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.348 0.579 1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.077 0.834 1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.855 1.293 3.000 1.00 0.00 H new ATOM 306 N CYS A 22 6.114 5.334 0.750 1.00 0.00 N ATOM 307 CA CYS A 22 6.214 6.607 0.045 1.00 0.00 C ATOM 308 C CYS A 22 6.281 6.389 -1.463 1.00 0.00 C ATOM 309 O CYS A 22 7.018 5.530 -1.945 1.00 0.00 O ATOM 310 CB CYS A 22 7.447 7.379 0.516 1.00 0.00 C ATOM 311 SG CYS A 22 9.016 6.681 -0.049 1.00 0.00 S ATOM 0 H CYS A 22 6.987 4.808 0.797 1.00 0.00 H new ATOM 0 HA CYS A 22 5.321 7.190 0.270 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.373 8.409 0.166 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.448 7.412 1.606 1.00 0.00 H new ATOM 0 HG CYS A 22 8.804 5.912 -1.076 1.00 0.00 H new ATOM 317 N GLY A 23 5.504 7.173 -2.205 1.00 0.00 N ATOM 318 CA GLY A 23 5.489 7.049 -3.651 1.00 0.00 C ATOM 319 C GLY A 23 4.100 6.779 -4.195 1.00 0.00 C ATOM 320 O GLY A 23 3.883 6.810 -5.406 1.00 0.00 O ATOM 0 H GLY A 23 4.885 7.892 -1.830 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.878 7.965 -4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.157 6.241 -3.950 1.00 0.00 H new ATOM 324 N VAL A 24 3.157 6.510 -3.297 1.00 0.00 N ATOM 325 CA VAL A 24 1.781 6.233 -3.694 1.00 0.00 C ATOM 326 C VAL A 24 1.024 7.522 -3.990 1.00 0.00 C ATOM 327 O VAL A 24 1.085 8.482 -3.221 1.00 0.00 O ATOM 328 CB VAL A 24 1.030 5.448 -2.602 1.00 0.00 C ATOM 329 CG1 VAL A 24 1.046 6.213 -1.288 1.00 0.00 C ATOM 330 CG2 VAL A 24 -0.397 5.157 -3.043 1.00 0.00 C ATOM 0 H VAL A 24 3.321 6.478 -2.291 1.00 0.00 H new ATOM 0 HA VAL A 24 1.828 5.628 -4.599 1.00 0.00 H new ATOM 0 HB VAL A 24 1.539 4.497 -2.446 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.511 5.643 -0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.077 6.365 -0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.562 7.180 -1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.914 4.602 -2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.919 6.096 -3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.381 4.565 -3.958 1.00 0.00 H new ATOM 340 N THR A 25 0.308 7.538 -5.110 1.00 0.00 N ATOM 341 CA THR A 25 -0.462 8.710 -5.509 1.00 0.00 C ATOM 342 C THR A 25 -1.957 8.414 -5.500 1.00 0.00 C ATOM 343 O THR A 25 -2.381 7.322 -5.123 1.00 0.00 O ATOM 344 CB THR A 25 -0.055 9.198 -6.912 1.00 0.00 C ATOM 345 OG1 THR A 25 0.145 8.079 -7.782 1.00 0.00 O ATOM 346 CG2 THR A 25 1.218 10.030 -6.847 1.00 0.00 C ATOM 0 H THR A 25 0.245 6.752 -5.757 1.00 0.00 H new ATOM 0 HA THR A 25 -0.245 9.493 -4.783 1.00 0.00 H new ATOM 0 HB THR A 25 -0.859 9.822 -7.303 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.402 8.399 -8.672 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.486 10.364 -7.849 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.054 10.897 -6.208 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.027 9.426 -6.437 1.00 0.00 H new ATOM 354 N GLU A 26 -2.752 9.394 -5.920 1.00 0.00 N ATOM 355 CA GLU A 26 -4.201 9.237 -5.960 1.00 0.00 C ATOM 356 C GLU A 26 -4.606 8.183 -6.987 1.00 0.00 C ATOM 357 O GLU A 26 -5.381 7.275 -6.688 1.00 0.00 O ATOM 358 CB GLU A 26 -4.872 10.572 -6.290 1.00 0.00 C ATOM 359 CG GLU A 26 -4.568 11.671 -5.286 1.00 0.00 C ATOM 360 CD GLU A 26 -5.094 13.023 -5.725 1.00 0.00 C ATOM 361 OE1 GLU A 26 -6.330 13.173 -5.830 1.00 0.00 O ATOM 362 OE2 GLU A 26 -4.271 13.932 -5.963 1.00 0.00 O ATOM 0 H GLU A 26 -2.417 10.304 -6.237 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.532 8.906 -4.976 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.550 10.896 -7.279 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.951 10.424 -6.339 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.007 11.410 -4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.490 11.735 -5.138 1.00 0.00 H new ATOM 369 N VAL A 27 -4.076 8.313 -8.199 1.00 0.00 N ATOM 370 CA VAL A 27 -4.381 7.373 -9.271 1.00 0.00 C ATOM 371 C VAL A 27 -4.112 5.937 -8.836 1.00 0.00 C ATOM 372 O VAL A 27 -4.649 4.990 -9.412 1.00 0.00 O ATOM 373 CB VAL A 27 -3.557 7.677 -10.536 1.00 0.00 C ATOM 374 CG1 VAL A 27 -2.072 7.718 -10.210 1.00 0.00 C ATOM 375 CG2 VAL A 27 -3.846 6.649 -11.620 1.00 0.00 C ATOM 0 H VAL A 27 -3.433 9.060 -8.463 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.440 7.488 -9.500 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.849 8.658 -10.911 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.506 7.934 -11.116 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.883 8.496 -9.470 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.761 6.753 -9.809 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.255 6.879 -12.507 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.584 5.655 -11.258 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.906 6.675 -11.873 1.00 0.00 H new ATOM 385 N THR A 28 -3.275 5.781 -7.815 1.00 0.00 N ATOM 386 CA THR A 28 -2.933 4.460 -7.302 1.00 0.00 C ATOM 387 C THR A 28 -4.093 3.857 -6.518 1.00 0.00 C ATOM 388 O THR A 28 -4.599 4.463 -5.572 1.00 0.00 O ATOM 389 CB THR A 28 -1.689 4.514 -6.395 1.00 0.00 C ATOM 390 OG1 THR A 28 -0.571 5.029 -7.127 1.00 0.00 O ATOM 391 CG2 THR A 28 -1.354 3.133 -5.853 1.00 0.00 C ATOM 0 H THR A 28 -2.821 6.553 -7.327 1.00 0.00 H new ATOM 0 HA THR A 28 -2.717 3.832 -8.166 1.00 0.00 H new ATOM 0 HB THR A 28 -1.908 5.173 -5.555 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.247 4.914 -6.599 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.472 3.196 -5.215 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.196 2.756 -5.272 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.154 2.455 -6.683 1.00 0.00 H new ATOM 399 N THR A 29 -4.511 2.659 -6.915 1.00 0.00 N ATOM 400 CA THR A 29 -5.612 1.974 -6.250 1.00 0.00 C ATOM 401 C THR A 29 -5.129 1.234 -5.009 1.00 0.00 C ATOM 402 O THR A 29 -3.927 1.137 -4.761 1.00 0.00 O ATOM 403 CB THR A 29 -6.304 0.973 -7.195 1.00 0.00 C ATOM 404 OG1 THR A 29 -5.439 -0.139 -7.448 1.00 0.00 O ATOM 405 CG2 THR A 29 -6.678 1.640 -8.510 1.00 0.00 C ATOM 0 H THR A 29 -4.103 2.143 -7.695 1.00 0.00 H new ATOM 0 HA THR A 29 -6.330 2.740 -5.956 1.00 0.00 H new ATOM 0 HB THR A 29 -7.216 0.622 -6.712 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.886 -0.772 -8.048 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.165 0.914 -9.161 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.359 2.469 -8.317 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.778 2.016 -8.996 1.00 0.00 H new ATOM 413 N CYS A 30 -6.072 0.712 -4.232 1.00 0.00 N ATOM 414 CA CYS A 30 -5.742 -0.021 -3.015 1.00 0.00 C ATOM 415 C CYS A 30 -5.012 -1.319 -3.343 1.00 0.00 C ATOM 416 O CYS A 30 -4.006 -1.652 -2.716 1.00 0.00 O ATOM 417 CB CYS A 30 -7.011 -0.324 -2.217 1.00 0.00 C ATOM 418 SG CYS A 30 -7.535 1.020 -1.126 1.00 0.00 S ATOM 0 H CYS A 30 -7.071 0.783 -4.423 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.083 0.604 -2.412 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.820 -0.549 -2.912 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.846 -1.220 -1.619 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.830 1.130 -1.164 1.00 0.00 H new ATOM 424 N GLN A 31 -5.525 -2.048 -4.329 1.00 0.00 N ATOM 425 CA GLN A 31 -4.923 -3.311 -4.738 1.00 0.00 C ATOM 426 C GLN A 31 -3.492 -3.100 -5.221 1.00 0.00 C ATOM 427 O GLN A 31 -2.735 -4.056 -5.384 1.00 0.00 O ATOM 428 CB GLN A 31 -5.756 -3.964 -5.843 1.00 0.00 C ATOM 429 CG GLN A 31 -5.373 -5.409 -6.120 1.00 0.00 C ATOM 430 CD GLN A 31 -5.914 -5.912 -7.444 1.00 0.00 C ATOM 431 OE1 GLN A 31 -6.961 -6.558 -7.495 1.00 0.00 O ATOM 432 NE2 GLN A 31 -5.201 -5.617 -8.525 1.00 0.00 N ATOM 0 H GLN A 31 -6.356 -1.785 -4.859 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.901 -3.972 -3.871 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.809 -3.923 -5.565 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.645 -3.385 -6.760 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.287 -5.500 -6.117 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.748 -6.041 -5.315 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.339 -5.079 -8.436 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.515 -5.928 -9.444 1.00 0.00 H new ATOM 441 N GLU A 32 -3.129 -1.842 -5.449 1.00 0.00 N ATOM 442 CA GLU A 32 -1.788 -1.506 -5.915 1.00 0.00 C ATOM 443 C GLU A 32 -0.881 -1.141 -4.744 1.00 0.00 C ATOM 444 O GLU A 32 0.342 -1.257 -4.832 1.00 0.00 O ATOM 445 CB GLU A 32 -1.846 -0.346 -6.911 1.00 0.00 C ATOM 446 CG GLU A 32 -2.007 -0.791 -8.355 1.00 0.00 C ATOM 447 CD GLU A 32 -0.684 -1.135 -9.011 1.00 0.00 C ATOM 448 OE1 GLU A 32 0.088 -0.202 -9.316 1.00 0.00 O ATOM 449 OE2 GLU A 32 -0.420 -2.338 -9.218 1.00 0.00 O ATOM 0 H GLU A 32 -3.744 -1.039 -5.319 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.374 -2.382 -6.413 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.677 0.308 -6.646 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.934 0.245 -6.821 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.663 -1.660 -8.392 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.495 0.001 -8.923 1.00 0.00 H new ATOM 456 N VAL A 33 -1.488 -0.698 -3.648 1.00 0.00 N ATOM 457 CA VAL A 33 -0.736 -0.316 -2.458 1.00 0.00 C ATOM 458 C VAL A 33 -0.382 -1.537 -1.617 1.00 0.00 C ATOM 459 O VAL A 33 0.577 -1.515 -0.845 1.00 0.00 O ATOM 460 CB VAL A 33 -1.528 0.680 -1.590 1.00 0.00 C ATOM 461 CG1 VAL A 33 -0.790 0.958 -0.290 1.00 0.00 C ATOM 462 CG2 VAL A 33 -1.780 1.970 -2.356 1.00 0.00 C ATOM 0 H VAL A 33 -2.499 -0.595 -3.559 1.00 0.00 H new ATOM 0 HA VAL A 33 0.181 0.163 -2.802 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.493 0.236 -1.345 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.364 1.664 0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.665 0.027 0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.189 1.383 -0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.341 2.662 -1.728 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.827 2.421 -2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.353 1.752 -3.257 1.00 0.00 H new ATOM 472 N VAL A 34 -1.161 -2.603 -1.772 1.00 0.00 N ATOM 473 CA VAL A 34 -0.929 -3.834 -1.027 1.00 0.00 C ATOM 474 C VAL A 34 0.225 -4.630 -1.627 1.00 0.00 C ATOM 475 O VAL A 34 1.020 -5.230 -0.904 1.00 0.00 O ATOM 476 CB VAL A 34 -2.189 -4.720 -1.000 1.00 0.00 C ATOM 477 CG1 VAL A 34 -3.376 -3.943 -0.451 1.00 0.00 C ATOM 478 CG2 VAL A 34 -2.491 -5.259 -2.390 1.00 0.00 C ATOM 0 H VAL A 34 -1.958 -2.638 -2.407 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.676 -3.544 -0.007 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.003 -5.567 -0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.257 -4.585 -0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.156 -3.611 0.563 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.567 -3.076 -1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.384 -5.883 -2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.658 -4.427 -3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.648 -5.854 -2.741 1.00 0.00 H new ATOM 488 N ILE A 35 0.310 -4.630 -2.953 1.00 0.00 N ATOM 489 CA ILE A 35 1.368 -5.350 -3.651 1.00 0.00 C ATOM 490 C ILE A 35 2.738 -5.009 -3.073 1.00 0.00 C ATOM 491 O ILE A 35 3.445 -5.882 -2.571 1.00 0.00 O ATOM 492 CB ILE A 35 1.365 -5.034 -5.158 1.00 0.00 C ATOM 493 CG1 ILE A 35 -0.067 -5.024 -5.697 1.00 0.00 C ATOM 494 CG2 ILE A 35 2.214 -6.046 -5.913 1.00 0.00 C ATOM 495 CD1 ILE A 35 -0.888 -6.214 -5.252 1.00 0.00 C ATOM 0 H ILE A 35 -0.341 -4.139 -3.566 1.00 0.00 H new ATOM 0 HA ILE A 35 1.172 -6.413 -3.512 1.00 0.00 H new ATOM 0 HB ILE A 35 1.796 -4.044 -5.307 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.563 -4.109 -5.372 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.037 -5.001 -6.786 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.202 -5.809 -6.977 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.239 -6.008 -5.544 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.810 -7.047 -5.759 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.891 -6.141 -5.671 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.415 -7.133 -5.600 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.950 -6.227 -4.164 1.00 0.00 H new ATOM 507 N ALA A 36 3.105 -3.734 -3.148 1.00 0.00 N ATOM 508 CA ALA A 36 4.388 -3.277 -2.630 1.00 0.00 C ATOM 509 C ALA A 36 4.687 -3.905 -1.273 1.00 0.00 C ATOM 510 O ALA A 36 5.787 -4.408 -1.039 1.00 0.00 O ATOM 511 CB ALA A 36 4.405 -1.759 -2.526 1.00 0.00 C ATOM 0 H ALA A 36 2.532 -2.999 -3.563 1.00 0.00 H new ATOM 0 HA ALA A 36 5.166 -3.591 -3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.369 -1.432 -2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.245 -1.325 -3.513 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.613 -1.432 -1.853 1.00 0.00 H new ATOM 517 N LEU A 37 3.703 -3.873 -0.381 1.00 0.00 N ATOM 518 CA LEU A 37 3.861 -4.439 0.954 1.00 0.00 C ATOM 519 C LEU A 37 4.214 -5.921 0.879 1.00 0.00 C ATOM 520 O LEU A 37 5.110 -6.393 1.578 1.00 0.00 O ATOM 521 CB LEU A 37 2.578 -4.249 1.765 1.00 0.00 C ATOM 522 CG LEU A 37 2.471 -2.944 2.554 1.00 0.00 C ATOM 523 CD1 LEU A 37 3.561 -2.868 3.612 1.00 0.00 C ATOM 524 CD2 LEU A 37 2.549 -1.747 1.618 1.00 0.00 C ATOM 0 H LEU A 37 2.787 -3.461 -0.558 1.00 0.00 H new ATOM 0 HA LEU A 37 4.678 -3.915 1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.729 -4.309 1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.486 -5.081 2.463 1.00 0.00 H new ATOM 0 HG LEU A 37 1.504 -2.924 3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.468 -1.932 4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.459 -3.707 4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.538 -2.911 3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.471 -0.827 2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.501 -1.762 1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.731 -1.794 0.899 1.00 0.00 H new ATOM 536 N ALA A 38 3.504 -6.651 0.024 1.00 0.00 N ATOM 537 CA ALA A 38 3.744 -8.078 -0.146 1.00 0.00 C ATOM 538 C ALA A 38 5.159 -8.340 -0.653 1.00 0.00 C ATOM 539 O ALA A 38 5.774 -9.349 -0.309 1.00 0.00 O ATOM 540 CB ALA A 38 2.721 -8.676 -1.100 1.00 0.00 C ATOM 0 H ALA A 38 2.758 -6.276 -0.562 1.00 0.00 H new ATOM 0 HA ALA A 38 3.640 -8.557 0.828 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.913 -9.743 -1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.719 -8.530 -0.697 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.797 -8.185 -2.070 1.00 0.00 H new ATOM 546 N GLN A 39 5.667 -7.425 -1.472 1.00 0.00 N ATOM 547 CA GLN A 39 7.009 -7.559 -2.027 1.00 0.00 C ATOM 548 C GLN A 39 8.068 -7.335 -0.952 1.00 0.00 C ATOM 549 O GLN A 39 9.055 -8.066 -0.878 1.00 0.00 O ATOM 550 CB GLN A 39 7.211 -6.567 -3.173 1.00 0.00 C ATOM 551 CG GLN A 39 6.761 -7.097 -4.524 1.00 0.00 C ATOM 552 CD GLN A 39 6.769 -6.032 -5.603 1.00 0.00 C ATOM 553 OE1 GLN A 39 7.051 -4.863 -5.334 1.00 0.00 O ATOM 554 NE2 GLN A 39 6.460 -6.430 -6.831 1.00 0.00 N ATOM 0 H GLN A 39 5.170 -6.584 -1.766 1.00 0.00 H new ATOM 0 HA GLN A 39 7.116 -8.574 -2.411 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.663 -5.651 -2.951 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.266 -6.301 -3.230 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.414 -7.917 -4.824 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.755 -7.508 -4.432 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.233 -7.409 -7.008 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.450 -5.757 -7.598 1.00 0.00 H new ATOM 563 N ALA A 40 7.854 -6.321 -0.121 1.00 0.00 N ATOM 564 CA ALA A 40 8.789 -6.002 0.951 1.00 0.00 C ATOM 565 C ALA A 40 8.879 -7.142 1.959 1.00 0.00 C ATOM 566 O ALA A 40 9.970 -7.608 2.289 1.00 0.00 O ATOM 567 CB ALA A 40 8.376 -4.712 1.645 1.00 0.00 C ATOM 0 H ALA A 40 7.042 -5.706 -0.169 1.00 0.00 H new ATOM 0 HA ALA A 40 9.776 -5.864 0.509 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.083 -4.486 2.443 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.371 -3.896 0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.378 -4.829 2.067 1.00 0.00 H new ATOM 573 N ILE A 41 7.725 -7.588 2.445 1.00 0.00 N ATOM 574 CA ILE A 41 7.674 -8.674 3.415 1.00 0.00 C ATOM 575 C ILE A 41 8.099 -9.996 2.784 1.00 0.00 C ATOM 576 O ILE A 41 8.434 -10.951 3.483 1.00 0.00 O ATOM 577 CB ILE A 41 6.262 -8.833 4.010 1.00 0.00 C ATOM 578 CG1 ILE A 41 5.292 -9.348 2.945 1.00 0.00 C ATOM 579 CG2 ILE A 41 5.776 -7.509 4.581 1.00 0.00 C ATOM 580 CD1 ILE A 41 4.039 -9.972 3.520 1.00 0.00 C ATOM 0 H ILE A 41 6.813 -7.214 2.182 1.00 0.00 H new ATOM 0 HA ILE A 41 8.369 -8.415 4.214 1.00 0.00 H new ATOM 0 HB ILE A 41 6.304 -9.562 4.819 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.010 -8.522 2.292 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.803 -10.084 2.325 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.777 -7.637 4.998 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.457 -7.179 5.366 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.745 -6.761 3.789 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.398 -10.315 2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.311 -10.819 4.150 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.505 -9.232 4.117 1.00 0.00 H new ATOM 592 N GLY A 42 8.083 -10.042 1.455 1.00 0.00 N ATOM 593 CA GLY A 42 8.471 -11.251 0.751 1.00 0.00 C ATOM 594 C GLY A 42 7.277 -12.029 0.234 1.00 0.00 C ATOM 595 O GLY A 42 7.045 -12.094 -0.973 1.00 0.00 O ATOM 0 H GLY A 42 7.809 -9.265 0.854 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.120 -10.989 -0.085 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.053 -11.886 1.419 1.00 0.00 H new ATOM 599 N ARG A 43 6.518 -12.621 1.151 1.00 0.00 N ATOM 600 CA ARG A 43 5.343 -13.402 0.781 1.00 0.00 C ATOM 601 C ARG A 43 4.624 -12.771 -0.408 1.00 0.00 C ATOM 602 O ARG A 43 4.394 -11.561 -0.439 1.00 0.00 O ATOM 603 CB ARG A 43 4.385 -13.515 1.968 1.00 0.00 C ATOM 604 CG ARG A 43 4.971 -14.265 3.154 1.00 0.00 C ATOM 605 CD ARG A 43 4.831 -15.769 2.986 1.00 0.00 C ATOM 606 NE ARG A 43 5.316 -16.498 4.155 1.00 0.00 N ATOM 607 CZ ARG A 43 5.115 -17.797 4.347 1.00 0.00 C ATOM 608 NH1 ARG A 43 4.442 -18.506 3.451 1.00 0.00 N ATOM 609 NH2 ARG A 43 5.588 -18.389 5.436 1.00 0.00 N ATOM 0 H ARG A 43 6.695 -12.575 2.154 1.00 0.00 H new ATOM 0 HA ARG A 43 5.676 -14.400 0.495 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.097 -12.514 2.288 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.475 -14.020 1.643 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.024 -14.007 3.265 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.468 -13.952 4.069 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.784 -16.018 2.812 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.386 -16.088 2.104 1.00 0.00 H new ATOM 0 HE ARG A 43 5.838 -15.981 4.863 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.078 -18.054 2.612 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.289 -19.503 3.600 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.107 -17.847 6.127 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.433 -19.386 5.582 1.00 0.00 H new ATOM 623 N THR A 44 4.270 -13.599 -1.386 1.00 0.00 N ATOM 624 CA THR A 44 3.579 -13.123 -2.578 1.00 0.00 C ATOM 625 C THR A 44 2.080 -13.383 -2.484 1.00 0.00 C ATOM 626 O THR A 44 1.650 -14.436 -2.014 1.00 0.00 O ATOM 627 CB THR A 44 4.126 -13.795 -3.851 1.00 0.00 C ATOM 628 OG1 THR A 44 5.552 -13.665 -3.900 1.00 0.00 O ATOM 629 CG2 THR A 44 3.513 -13.175 -5.097 1.00 0.00 C ATOM 0 H THR A 44 4.451 -14.603 -1.376 1.00 0.00 H new ATOM 0 HA THR A 44 3.756 -12.049 -2.639 1.00 0.00 H new ATOM 0 HB THR A 44 3.858 -14.851 -3.821 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.892 -14.096 -4.712 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.915 -13.666 -5.983 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.431 -13.301 -5.071 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.754 -12.112 -5.131 1.00 0.00 H new ATOM 637 N GLY A 45 1.286 -12.417 -2.937 1.00 0.00 N ATOM 638 CA GLY A 45 -0.157 -12.561 -2.895 1.00 0.00 C ATOM 639 C GLY A 45 -0.869 -11.232 -2.739 1.00 0.00 C ATOM 640 O GLY A 45 -0.262 -10.239 -2.336 1.00 0.00 O ATOM 0 H GLY A 45 1.617 -11.537 -3.332 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.497 -13.046 -3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.430 -13.215 -2.067 1.00 0.00 H new ATOM 644 N ARG A 46 -2.158 -11.212 -3.060 1.00 0.00 N ATOM 645 CA ARG A 46 -2.952 -9.994 -2.956 1.00 0.00 C ATOM 646 C ARG A 46 -3.594 -9.879 -1.577 1.00 0.00 C ATOM 647 O ARG A 46 -4.293 -10.788 -1.128 1.00 0.00 O ATOM 648 CB ARG A 46 -4.034 -9.971 -4.037 1.00 0.00 C ATOM 649 CG ARG A 46 -3.572 -9.359 -5.349 1.00 0.00 C ATOM 650 CD ARG A 46 -4.715 -9.248 -6.346 1.00 0.00 C ATOM 651 NE ARG A 46 -4.245 -9.306 -7.727 1.00 0.00 N ATOM 652 CZ ARG A 46 -3.893 -10.433 -8.337 1.00 0.00 C ATOM 653 NH1 ARG A 46 -3.959 -11.588 -7.690 1.00 0.00 N ATOM 654 NH2 ARG A 46 -3.475 -10.405 -9.596 1.00 0.00 N ATOM 0 H ARG A 46 -2.675 -12.025 -3.394 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.286 -9.143 -3.100 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.373 -10.990 -4.221 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.893 -9.411 -3.667 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.153 -8.370 -5.163 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.774 -9.968 -5.775 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.428 -10.054 -6.172 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.248 -8.311 -6.184 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.183 -8.434 -8.252 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.280 -11.613 -6.722 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.688 -12.452 -8.160 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.424 -9.518 -10.097 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.205 -11.271 -10.063 1.00 0.00 H new ATOM 668 N TYR A 47 -3.351 -8.757 -0.908 1.00 0.00 N ATOM 669 CA TYR A 47 -3.903 -8.525 0.421 1.00 0.00 C ATOM 670 C TYR A 47 -5.033 -7.501 0.371 1.00 0.00 C ATOM 671 O TYR A 47 -5.320 -6.925 -0.679 1.00 0.00 O ATOM 672 CB TYR A 47 -2.807 -8.045 1.374 1.00 0.00 C ATOM 673 CG TYR A 47 -1.794 -9.113 1.719 1.00 0.00 C ATOM 674 CD1 TYR A 47 -0.859 -9.541 0.784 1.00 0.00 C ATOM 675 CD2 TYR A 47 -1.771 -9.695 2.981 1.00 0.00 C ATOM 676 CE1 TYR A 47 0.067 -10.517 1.095 1.00 0.00 C ATOM 677 CE2 TYR A 47 -0.847 -10.671 3.301 1.00 0.00 C ATOM 678 CZ TYR A 47 0.069 -11.079 2.355 1.00 0.00 C ATOM 679 OH TYR A 47 0.992 -12.051 2.669 1.00 0.00 O ATOM 0 H TYR A 47 -2.775 -7.994 -1.265 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.308 -9.468 0.788 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.290 -7.198 0.923 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.269 -7.684 2.293 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.857 -9.103 -0.203 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.488 -9.379 3.724 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.786 -10.839 0.356 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.842 -11.112 4.287 1.00 0.00 H new ATOM 0 HH TYR A 47 0.859 -12.341 3.595 1.00 0.00 H new ATOM 689 N THR A 48 -5.671 -7.278 1.516 1.00 0.00 N ATOM 690 CA THR A 48 -6.770 -6.324 1.604 1.00 0.00 C ATOM 691 C THR A 48 -6.449 -5.205 2.588 1.00 0.00 C ATOM 692 O THR A 48 -5.697 -5.402 3.544 1.00 0.00 O ATOM 693 CB THR A 48 -8.078 -7.013 2.037 1.00 0.00 C ATOM 694 OG1 THR A 48 -8.640 -7.735 0.935 1.00 0.00 O ATOM 695 CG2 THR A 48 -9.084 -5.993 2.547 1.00 0.00 C ATOM 0 H THR A 48 -5.446 -7.745 2.395 1.00 0.00 H new ATOM 0 HA THR A 48 -6.903 -5.901 0.608 1.00 0.00 H new ATOM 0 HB THR A 48 -7.847 -7.707 2.845 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.470 -8.171 1.219 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.999 -6.503 2.847 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.665 -5.466 3.404 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.310 -5.278 1.756 1.00 0.00 H new ATOM 703 N LEU A 49 -7.023 -4.031 2.349 1.00 0.00 N ATOM 704 CA LEU A 49 -6.798 -2.879 3.216 1.00 0.00 C ATOM 705 C LEU A 49 -8.058 -2.538 4.005 1.00 0.00 C ATOM 706 O LEU A 49 -9.123 -2.317 3.428 1.00 0.00 O ATOM 707 CB LEU A 49 -6.359 -1.671 2.387 1.00 0.00 C ATOM 708 CG LEU A 49 -4.981 -1.773 1.731 1.00 0.00 C ATOM 709 CD1 LEU A 49 -4.812 -0.691 0.675 1.00 0.00 C ATOM 710 CD2 LEU A 49 -3.883 -1.674 2.779 1.00 0.00 C ATOM 0 H LEU A 49 -7.647 -3.852 1.563 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.007 -3.134 3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.100 -1.503 1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.369 -0.791 3.030 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.903 -2.744 1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.826 -0.779 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.578 -0.808 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.911 0.290 1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.910 -1.749 2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.959 -0.717 3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.993 -2.485 3.499 1.00 0.00 H new ATOM 722 N ILE A 50 -7.929 -2.494 5.327 1.00 0.00 N ATOM 723 CA ILE A 50 -9.056 -2.176 6.195 1.00 0.00 C ATOM 724 C ILE A 50 -8.815 -0.876 6.955 1.00 0.00 C ATOM 725 O ILE A 50 -7.767 -0.693 7.574 1.00 0.00 O ATOM 726 CB ILE A 50 -9.325 -3.306 7.205 1.00 0.00 C ATOM 727 CG1 ILE A 50 -9.533 -4.634 6.475 1.00 0.00 C ATOM 728 CG2 ILE A 50 -10.535 -2.972 8.064 1.00 0.00 C ATOM 729 CD1 ILE A 50 -9.205 -5.846 7.319 1.00 0.00 C ATOM 0 H ILE A 50 -7.055 -2.675 5.820 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.928 -2.061 5.551 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.457 -3.404 7.857 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.570 -4.700 6.147 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.913 -4.647 5.578 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.712 -3.781 8.773 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -10.350 -2.046 8.608 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.411 -2.850 7.427 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.376 -6.752 6.737 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.160 -5.804 7.626 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.843 -5.857 8.203 1.00 0.00 H new ATOM 741 N GLU A 51 -9.793 0.023 6.904 1.00 0.00 N ATOM 742 CA GLU A 51 -9.686 1.306 7.589 1.00 0.00 C ATOM 743 C GLU A 51 -10.194 1.200 9.024 1.00 0.00 C ATOM 744 O GLU A 51 -11.346 0.838 9.262 1.00 0.00 O ATOM 745 CB GLU A 51 -10.475 2.379 6.835 1.00 0.00 C ATOM 746 CG GLU A 51 -9.930 3.784 7.029 1.00 0.00 C ATOM 747 CD GLU A 51 -10.849 4.849 6.463 1.00 0.00 C ATOM 748 OE1 GLU A 51 -12.080 4.714 6.618 1.00 0.00 O ATOM 749 OE2 GLU A 51 -10.335 5.818 5.866 1.00 0.00 O ATOM 0 H GLU A 51 -10.667 -0.113 6.396 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.634 1.589 7.614 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.471 2.141 5.771 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.514 2.353 7.164 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.779 3.968 8.093 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.954 3.860 6.551 1.00 0.00 H new ATOM 756 N LYS A 52 -9.325 1.517 9.978 1.00 0.00 N ATOM 757 CA LYS A 52 -9.683 1.459 11.390 1.00 0.00 C ATOM 758 C LYS A 52 -9.531 2.828 12.046 1.00 0.00 C ATOM 759 O LYS A 52 -8.416 3.289 12.291 1.00 0.00 O ATOM 760 CB LYS A 52 -8.810 0.434 12.117 1.00 0.00 C ATOM 761 CG LYS A 52 -9.335 0.052 13.490 1.00 0.00 C ATOM 762 CD LYS A 52 -8.232 -0.506 14.374 1.00 0.00 C ATOM 763 CE LYS A 52 -8.761 -0.898 15.745 1.00 0.00 C ATOM 764 NZ LYS A 52 -7.710 -0.798 16.794 1.00 0.00 N ATOM 0 H LYS A 52 -8.367 1.817 9.798 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.727 1.154 11.462 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.732 -0.464 11.504 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.802 0.837 12.222 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.778 0.926 13.967 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.127 -0.689 13.384 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.784 -1.376 13.893 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.443 0.238 14.486 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.600 -0.254 16.009 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.142 -1.919 15.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.110 -1.073 17.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.921 -1.432 16.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.364 0.181 16.846 1.00 0.00 H new ATOM 778 N TRP A 53 -10.658 3.471 12.330 1.00 0.00 N ATOM 779 CA TRP A 53 -10.649 4.786 12.960 1.00 0.00 C ATOM 780 C TRP A 53 -11.813 4.932 13.933 1.00 0.00 C ATOM 781 O TRP A 53 -12.977 4.860 13.538 1.00 0.00 O ATOM 782 CB TRP A 53 -10.716 5.884 11.897 1.00 0.00 C ATOM 783 CG TRP A 53 -11.009 7.241 12.462 1.00 0.00 C ATOM 784 CD1 TRP A 53 -10.101 8.144 12.938 1.00 0.00 C ATOM 785 CD2 TRP A 53 -12.297 7.847 12.612 1.00 0.00 C ATOM 786 NE1 TRP A 53 -10.748 9.275 13.374 1.00 0.00 N ATOM 787 CE2 TRP A 53 -12.096 9.118 13.185 1.00 0.00 C ATOM 788 CE3 TRP A 53 -13.601 7.441 12.317 1.00 0.00 C ATOM 789 CZ2 TRP A 53 -13.150 9.983 13.467 1.00 0.00 C ATOM 790 CZ3 TRP A 53 -14.646 8.300 12.598 1.00 0.00 C ATOM 791 CH2 TRP A 53 -14.416 9.559 13.168 1.00 0.00 C ATOM 0 H TRP A 53 -11.589 3.103 12.134 1.00 0.00 H new ATOM 0 HA TRP A 53 -9.719 4.887 13.519 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -9.768 5.919 11.361 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -11.485 5.628 11.168 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -9.032 7.991 12.967 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -10.298 10.098 13.774 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -13.789 6.473 11.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -12.974 10.954 13.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -15.658 7.996 12.374 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -15.254 10.207 13.375 1.00 0.00 H new ATOM 802 N ARG A 54 -11.493 5.137 15.207 1.00 0.00 N ATOM 803 CA ARG A 54 -12.514 5.292 16.236 1.00 0.00 C ATOM 804 C ARG A 54 -13.352 4.023 16.365 1.00 0.00 C ATOM 805 O ARG A 54 -14.581 4.070 16.308 1.00 0.00 O ATOM 806 CB ARG A 54 -13.419 6.482 15.913 1.00 0.00 C ATOM 807 CG ARG A 54 -12.907 7.803 16.464 1.00 0.00 C ATOM 808 CD ARG A 54 -14.046 8.779 16.717 1.00 0.00 C ATOM 809 NE ARG A 54 -14.834 8.409 17.890 1.00 0.00 N ATOM 810 CZ ARG A 54 -14.400 8.543 19.139 1.00 0.00 C ATOM 811 NH1 ARG A 54 -13.192 9.036 19.375 1.00 0.00 N ATOM 812 NH2 ARG A 54 -15.176 8.184 20.154 1.00 0.00 N ATOM 0 H ARG A 54 -10.535 5.200 15.551 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.011 5.474 17.186 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.523 6.565 14.831 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -14.414 6.291 16.316 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.365 7.626 17.393 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.199 8.242 15.761 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.641 9.781 16.854 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.694 8.814 15.841 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.768 8.027 17.742 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.593 9.313 18.597 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.861 9.138 20.334 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.106 7.805 19.976 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -14.842 8.287 21.112 1.00 0.00 H new ATOM 826 N ASP A 55 -12.679 2.891 16.540 1.00 0.00 N ATOM 827 CA ASP A 55 -13.361 1.609 16.678 1.00 0.00 C ATOM 828 C ASP A 55 -14.326 1.380 15.519 1.00 0.00 C ATOM 829 O ASP A 55 -15.466 0.960 15.720 1.00 0.00 O ATOM 830 CB ASP A 55 -14.116 1.550 18.007 1.00 0.00 C ATOM 831 CG ASP A 55 -13.185 1.532 19.202 1.00 0.00 C ATOM 832 OD1 ASP A 55 -12.158 0.823 19.143 1.00 0.00 O ATOM 833 OD2 ASP A 55 -13.482 2.226 20.197 1.00 0.00 O ATOM 0 H ASP A 55 -11.662 2.835 16.590 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.609 0.821 16.661 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -14.781 2.410 18.082 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -14.743 0.659 18.026 1.00 0.00 H new ATOM 838 N THR A 56 -13.862 1.659 14.305 1.00 0.00 N ATOM 839 CA THR A 56 -14.684 1.485 13.114 1.00 0.00 C ATOM 840 C THR A 56 -13.906 0.785 12.006 1.00 0.00 C ATOM 841 O THR A 56 -12.966 1.347 11.445 1.00 0.00 O ATOM 842 CB THR A 56 -15.202 2.837 12.587 1.00 0.00 C ATOM 843 OG1 THR A 56 -15.895 3.535 13.627 1.00 0.00 O ATOM 844 CG2 THR A 56 -16.130 2.634 11.399 1.00 0.00 C ATOM 0 H THR A 56 -12.921 2.007 14.121 1.00 0.00 H new ATOM 0 HA THR A 56 -15.533 0.866 13.404 1.00 0.00 H new ATOM 0 HB THR A 56 -14.346 3.428 12.262 1.00 0.00 H new ATOM 0 HG1 THR A 56 -15.272 3.737 14.356 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.483 3.602 11.044 1.00 0.00 H new ATOM 0 HG22 THR A 56 -15.591 2.128 10.598 1.00 0.00 H new ATOM 0 HG23 THR A 56 -16.982 2.026 11.703 1.00 0.00 H new ATOM 852 N GLU A 57 -14.304 -0.445 11.695 1.00 0.00 N ATOM 853 CA GLU A 57 -13.642 -1.221 10.654 1.00 0.00 C ATOM 854 C GLU A 57 -14.452 -1.199 9.361 1.00 0.00 C ATOM 855 O GLU A 57 -15.681 -1.272 9.385 1.00 0.00 O ATOM 856 CB GLU A 57 -13.436 -2.665 11.115 1.00 0.00 C ATOM 857 CG GLU A 57 -12.126 -2.889 11.852 1.00 0.00 C ATOM 858 CD GLU A 57 -11.776 -4.358 11.987 1.00 0.00 C ATOM 859 OE1 GLU A 57 -12.313 -5.169 11.204 1.00 0.00 O ATOM 860 OE2 GLU A 57 -10.967 -4.696 12.875 1.00 0.00 O ATOM 0 H GLU A 57 -15.081 -0.925 12.149 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.670 -0.767 10.462 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.262 -2.951 11.766 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -13.472 -3.323 10.247 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.323 -2.375 11.323 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.191 -2.442 12.844 1.00 0.00 H new ATOM 867 N ARG A 58 -13.755 -1.097 8.234 1.00 0.00 N ATOM 868 CA ARG A 58 -14.409 -1.063 6.931 1.00 0.00 C ATOM 869 C ARG A 58 -13.493 -1.627 5.849 1.00 0.00 C ATOM 870 O ARG A 58 -12.313 -1.279 5.776 1.00 0.00 O ATOM 871 CB ARG A 58 -14.814 0.369 6.577 1.00 0.00 C ATOM 872 CG ARG A 58 -15.318 0.524 5.152 1.00 0.00 C ATOM 873 CD ARG A 58 -16.765 0.074 5.020 1.00 0.00 C ATOM 874 NE ARG A 58 -17.661 0.859 5.864 1.00 0.00 N ATOM 875 CZ ARG A 58 -18.939 0.556 6.061 1.00 0.00 C ATOM 876 NH1 ARG A 58 -19.468 -0.511 5.476 1.00 0.00 N ATOM 877 NH2 ARG A 58 -19.691 1.319 6.843 1.00 0.00 N ATOM 0 H ARG A 58 -12.737 -1.036 8.197 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.304 -1.683 6.985 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.591 0.699 7.266 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -13.957 1.027 6.724 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -15.231 1.566 4.846 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -14.691 -0.060 4.478 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -17.078 0.161 3.980 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.843 -0.979 5.290 1.00 0.00 H new ATOM 0 HE ARG A 58 -17.285 1.686 6.328 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -18.893 -1.100 4.874 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -20.450 -0.742 5.629 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -19.288 2.140 7.294 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -20.672 1.085 6.993 1.00 0.00 H new ATOM 891 N HIS A 59 -14.043 -2.498 5.009 1.00 0.00 N ATOM 892 CA HIS A 59 -13.276 -3.110 3.930 1.00 0.00 C ATOM 893 C HIS A 59 -13.158 -2.160 2.742 1.00 0.00 C ATOM 894 O HIS A 59 -14.115 -1.469 2.389 1.00 0.00 O ATOM 895 CB HIS A 59 -13.931 -4.419 3.489 1.00 0.00 C ATOM 896 CG HIS A 59 -13.437 -5.618 4.238 1.00 0.00 C ATOM 897 ND1 HIS A 59 -13.113 -6.809 3.623 1.00 0.00 N ATOM 898 CD2 HIS A 59 -13.210 -5.805 5.559 1.00 0.00 C ATOM 899 CE1 HIS A 59 -12.710 -7.677 4.534 1.00 0.00 C ATOM 900 NE2 HIS A 59 -12.760 -7.092 5.717 1.00 0.00 N ATOM 0 H HIS A 59 -15.017 -2.796 5.055 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.274 -3.322 4.304 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -15.010 -4.338 3.620 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.750 -4.566 2.424 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -13.356 -5.077 6.343 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -12.394 -8.692 4.344 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -12.505 -7.526 6.604 1.00 0.00 H new ATOM 909 N LEU A 60 -11.980 -2.130 2.129 1.00 0.00 N ATOM 910 CA LEU A 60 -11.737 -1.265 0.980 1.00 0.00 C ATOM 911 C LEU A 60 -11.719 -2.071 -0.315 1.00 0.00 C ATOM 912 O LEU A 60 -11.046 -3.097 -0.410 1.00 0.00 O ATOM 913 CB LEU A 60 -10.411 -0.521 1.149 1.00 0.00 C ATOM 914 CG LEU A 60 -10.412 0.633 2.152 1.00 0.00 C ATOM 915 CD1 LEU A 60 -8.993 0.964 2.588 1.00 0.00 C ATOM 916 CD2 LEU A 60 -11.088 1.859 1.555 1.00 0.00 C ATOM 0 H LEU A 60 -11.178 -2.695 2.408 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.549 -0.540 0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.650 -1.240 1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.110 -0.131 0.177 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.977 0.323 3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.014 1.788 3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.543 0.089 3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.403 1.253 1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.079 2.670 2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.551 2.170 0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.118 1.616 1.295 1.00 0.00 H new ATOM 928 N ALA A 61 -12.461 -1.597 -1.311 1.00 0.00 N ATOM 929 CA ALA A 61 -12.527 -2.272 -2.601 1.00 0.00 C ATOM 930 C ALA A 61 -11.176 -2.235 -3.309 1.00 0.00 C ATOM 931 O ALA A 61 -10.387 -1.305 -3.146 1.00 0.00 O ATOM 932 CB ALA A 61 -13.599 -1.637 -3.474 1.00 0.00 C ATOM 0 H ALA A 61 -13.024 -0.749 -1.249 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.788 -3.316 -2.425 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.638 -2.151 -4.435 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.567 -1.719 -2.979 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -13.362 -0.585 -3.634 1.00 0.00 H new ATOM 938 N PRO A 62 -10.902 -3.272 -4.115 1.00 0.00 N ATOM 939 CA PRO A 62 -9.646 -3.382 -4.864 1.00 0.00 C ATOM 940 C PRO A 62 -9.551 -2.356 -5.988 1.00 0.00 C ATOM 941 O PRO A 62 -8.471 -2.108 -6.526 1.00 0.00 O ATOM 942 CB PRO A 62 -9.698 -4.800 -5.437 1.00 0.00 C ATOM 943 CG PRO A 62 -11.150 -5.124 -5.517 1.00 0.00 C ATOM 944 CD PRO A 62 -11.796 -4.416 -4.358 1.00 0.00 C ATOM 0 HA PRO A 62 -8.777 -3.194 -4.233 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.227 -4.848 -6.419 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.170 -5.506 -4.796 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.573 -4.789 -6.464 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -11.314 -6.200 -5.458 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.808 -4.091 -4.599 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.869 -5.062 -3.483 1.00 0.00 H new ATOM 952 N HIS A 63 -10.687 -1.761 -6.339 1.00 0.00 N ATOM 953 CA HIS A 63 -10.730 -0.761 -7.400 1.00 0.00 C ATOM 954 C HIS A 63 -10.654 0.648 -6.821 1.00 0.00 C ATOM 955 O HIS A 63 -10.220 1.583 -7.493 1.00 0.00 O ATOM 956 CB HIS A 63 -12.007 -0.917 -8.225 1.00 0.00 C ATOM 957 CG HIS A 63 -13.230 -1.165 -7.396 1.00 0.00 C ATOM 958 ND1 HIS A 63 -13.825 -2.404 -7.285 1.00 0.00 N ATOM 959 CD2 HIS A 63 -13.968 -0.325 -6.635 1.00 0.00 C ATOM 960 CE1 HIS A 63 -14.877 -2.315 -6.492 1.00 0.00 C ATOM 961 NE2 HIS A 63 -14.986 -1.064 -6.084 1.00 0.00 N ATOM 0 H HIS A 63 -11.589 -1.954 -5.904 1.00 0.00 H new ATOM 0 HA HIS A 63 -9.867 -0.916 -8.047 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -12.158 -0.016 -8.820 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -11.879 -1.743 -8.925 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -13.790 0.730 -6.488 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -15.536 -3.127 -6.223 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -15.709 -0.705 -5.461 1.00 0.00 H new ATOM 970 N GLU A 64 -11.079 0.793 -5.569 1.00 0.00 N ATOM 971 CA GLU A 64 -11.060 2.089 -4.901 1.00 0.00 C ATOM 972 C GLU A 64 -9.628 2.540 -4.631 1.00 0.00 C ATOM 973 O GLU A 64 -8.672 1.841 -4.963 1.00 0.00 O ATOM 974 CB GLU A 64 -11.842 2.022 -3.588 1.00 0.00 C ATOM 975 CG GLU A 64 -13.341 1.860 -3.779 1.00 0.00 C ATOM 976 CD GLU A 64 -14.011 3.139 -4.243 1.00 0.00 C ATOM 977 OE1 GLU A 64 -13.714 3.591 -5.368 1.00 0.00 O ATOM 978 OE2 GLU A 64 -14.833 3.688 -3.479 1.00 0.00 O ATOM 0 H GLU A 64 -11.440 0.029 -4.998 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.533 2.817 -5.560 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.468 1.188 -2.994 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.653 2.930 -3.016 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.528 1.071 -4.508 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.791 1.539 -2.840 1.00 0.00 H new ATOM 985 N ASN A 65 -9.488 3.716 -4.027 1.00 0.00 N ATOM 986 CA ASN A 65 -8.173 4.263 -3.712 1.00 0.00 C ATOM 987 C ASN A 65 -8.060 4.585 -2.226 1.00 0.00 C ATOM 988 O ASN A 65 -9.016 5.019 -1.584 1.00 0.00 O ATOM 989 CB ASN A 65 -7.911 5.522 -4.540 1.00 0.00 C ATOM 990 CG ASN A 65 -8.012 5.266 -6.031 1.00 0.00 C ATOM 991 OD1 ASN A 65 -8.099 4.119 -6.471 1.00 0.00 O ATOM 992 ND2 ASN A 65 -8.000 6.336 -6.818 1.00 0.00 N ATOM 0 H ASN A 65 -10.269 4.308 -3.746 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.424 3.511 -3.960 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.626 6.294 -4.258 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.918 5.907 -4.307 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.064 6.226 -7.830 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.926 7.268 -6.410 1.00 0.00 H new ATOM 999 N PRO A 66 -6.861 4.369 -1.663 1.00 0.00 N ATOM 1000 CA PRO A 66 -6.592 4.631 -0.246 1.00 0.00 C ATOM 1001 C PRO A 66 -6.585 6.121 0.077 1.00 0.00 C ATOM 1002 O PRO A 66 -7.144 6.550 1.087 1.00 0.00 O ATOM 1003 CB PRO A 66 -5.201 4.030 -0.032 1.00 0.00 C ATOM 1004 CG PRO A 66 -4.563 4.062 -1.378 1.00 0.00 C ATOM 1005 CD PRO A 66 -5.675 3.854 -2.368 1.00 0.00 C ATOM 0 HA PRO A 66 -7.359 4.205 0.400 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.627 4.608 0.692 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.264 3.012 0.352 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.061 5.014 -1.549 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.807 3.282 -1.470 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.493 4.395 -3.296 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.788 2.802 -2.630 1.00 0.00 H new ATOM 1013 N ILE A 67 -5.949 6.906 -0.787 1.00 0.00 N ATOM 1014 CA ILE A 67 -5.870 8.348 -0.593 1.00 0.00 C ATOM 1015 C ILE A 67 -7.261 8.963 -0.476 1.00 0.00 C ATOM 1016 O ILE A 67 -7.521 9.766 0.421 1.00 0.00 O ATOM 1017 CB ILE A 67 -5.115 9.031 -1.749 1.00 0.00 C ATOM 1018 CG1 ILE A 67 -3.698 8.465 -1.866 1.00 0.00 C ATOM 1019 CG2 ILE A 67 -5.074 10.537 -1.537 1.00 0.00 C ATOM 1020 CD1 ILE A 67 -2.874 8.633 -0.609 1.00 0.00 C ATOM 0 H ILE A 67 -5.481 6.567 -1.628 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.323 8.513 0.335 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.645 8.829 -2.680 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.758 7.405 -2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.187 8.956 -2.694 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.537 11.006 -2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.091 10.927 -1.498 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.564 10.759 -0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.882 8.209 -0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.782 9.693 -0.373 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.363 8.118 0.218 1.00 0.00 H new ATOM 1032 N ILE A 68 -8.150 8.581 -1.386 1.00 0.00 N ATOM 1033 CA ILE A 68 -9.515 9.092 -1.382 1.00 0.00 C ATOM 1034 C ILE A 68 -10.239 8.716 -0.094 1.00 0.00 C ATOM 1035 O ILE A 68 -11.109 9.448 0.378 1.00 0.00 O ATOM 1036 CB ILE A 68 -10.318 8.561 -2.584 1.00 0.00 C ATOM 1037 CG1 ILE A 68 -9.591 8.880 -3.892 1.00 0.00 C ATOM 1038 CG2 ILE A 68 -11.718 9.158 -2.590 1.00 0.00 C ATOM 1039 CD1 ILE A 68 -9.154 10.323 -4.004 1.00 0.00 C ATOM 0 H ILE A 68 -7.950 7.919 -2.136 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.446 10.178 -1.453 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.406 7.478 -2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -8.716 8.236 -3.978 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.246 8.641 -4.730 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -12.274 8.774 -3.445 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.234 8.885 -1.669 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.650 10.244 -2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.646 10.476 -4.956 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.027 10.973 -3.950 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.473 10.562 -3.187 1.00 0.00 H new ATOM 1051 N SER A 69 -9.873 7.570 0.471 1.00 0.00 N ATOM 1052 CA SER A 69 -10.490 7.095 1.705 1.00 0.00 C ATOM 1053 C SER A 69 -10.289 8.100 2.835 1.00 0.00 C ATOM 1054 O SER A 69 -11.155 8.268 3.694 1.00 0.00 O ATOM 1055 CB SER A 69 -9.904 5.739 2.103 1.00 0.00 C ATOM 1056 OG SER A 69 -8.725 5.899 2.872 1.00 0.00 O ATOM 0 H SER A 69 -9.153 6.953 0.095 1.00 0.00 H new ATOM 0 HA SER A 69 -11.560 6.983 1.528 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.641 5.175 2.674 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.682 5.158 1.208 1.00 0.00 H new ATOM 0 HG SER A 69 -8.092 6.467 2.386 1.00 0.00 H new ATOM 1062 N LEU A 70 -9.140 8.767 2.828 1.00 0.00 N ATOM 1063 CA LEU A 70 -8.823 9.756 3.852 1.00 0.00 C ATOM 1064 C LEU A 70 -9.274 11.148 3.422 1.00 0.00 C ATOM 1065 O LEU A 70 -9.478 12.030 4.255 1.00 0.00 O ATOM 1066 CB LEU A 70 -7.320 9.760 4.137 1.00 0.00 C ATOM 1067 CG LEU A 70 -6.719 8.430 4.592 1.00 0.00 C ATOM 1068 CD1 LEU A 70 -5.205 8.451 4.450 1.00 0.00 C ATOM 1069 CD2 LEU A 70 -7.119 8.128 6.029 1.00 0.00 C ATOM 0 H LEU A 70 -8.412 8.641 2.124 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.358 9.485 4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.800 10.080 3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.118 10.508 4.904 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.111 7.639 3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.795 7.496 4.779 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.940 8.620 3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.793 9.253 5.063 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.682 7.178 6.336 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.757 8.922 6.682 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.205 8.068 6.099 1.00 0.00 H new ATOM 1081 N ASN A 71 -9.430 11.337 2.115 1.00 0.00 N ATOM 1082 CA ASN A 71 -9.859 12.622 1.574 1.00 0.00 C ATOM 1083 C ASN A 71 -11.282 12.950 2.015 1.00 0.00 C ATOM 1084 O ASN A 71 -11.735 14.088 1.895 1.00 0.00 O ATOM 1085 CB ASN A 71 -9.777 12.609 0.047 1.00 0.00 C ATOM 1086 CG ASN A 71 -8.348 12.529 -0.455 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -7.428 12.225 0.304 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -8.156 12.802 -1.740 1.00 0.00 N ATOM 0 H ASN A 71 -9.266 10.617 1.412 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.191 13.392 1.960 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.342 11.760 -0.337 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.248 13.510 -0.347 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.216 12.764 -2.135 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.948 13.050 -2.333 1.00 0.00 H new ATOM 1095 N LYS A 72 -11.983 11.944 2.528 1.00 0.00 N ATOM 1096 CA LYS A 72 -13.354 12.124 2.989 1.00 0.00 C ATOM 1097 C LYS A 72 -13.389 12.441 4.481 1.00 0.00 C ATOM 1098 O LYS A 72 -14.314 13.094 4.965 1.00 0.00 O ATOM 1099 CB LYS A 72 -14.179 10.866 2.705 1.00 0.00 C ATOM 1100 CG LYS A 72 -13.647 9.622 3.394 1.00 0.00 C ATOM 1101 CD LYS A 72 -14.766 8.652 3.735 1.00 0.00 C ATOM 1102 CE LYS A 72 -15.010 7.663 2.606 1.00 0.00 C ATOM 1103 NZ LYS A 72 -14.164 6.446 2.741 1.00 0.00 N ATOM 0 H LYS A 72 -11.624 10.995 2.635 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.786 12.965 2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.207 11.036 3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.204 10.693 1.629 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.921 9.129 2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.121 9.906 4.305 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.514 8.110 4.647 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.682 9.208 3.937 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.061 7.375 2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.803 8.145 1.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.192 5.904 1.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.183 6.726 2.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.525 5.857 3.518 1.00 0.00 H new ATOM 1117 N TRP A 73 -12.376 11.977 5.203 1.00 0.00 N ATOM 1118 CA TRP A 73 -12.291 12.213 6.640 1.00 0.00 C ATOM 1119 C TRP A 73 -11.739 13.604 6.932 1.00 0.00 C ATOM 1120 O TRP A 73 -12.153 14.259 7.887 1.00 0.00 O ATOM 1121 CB TRP A 73 -11.410 11.152 7.301 1.00 0.00 C ATOM 1122 CG TRP A 73 -12.014 9.780 7.280 1.00 0.00 C ATOM 1123 CD1 TRP A 73 -11.509 8.672 6.661 1.00 0.00 C ATOM 1124 CD2 TRP A 73 -13.237 9.373 7.903 1.00 0.00 C ATOM 1125 NE1 TRP A 73 -12.345 7.600 6.862 1.00 0.00 N ATOM 1126 CE2 TRP A 73 -13.411 8.004 7.622 1.00 0.00 C ATOM 1127 CE3 TRP A 73 -14.200 10.030 8.672 1.00 0.00 C ATOM 1128 CZ2 TRP A 73 -14.510 7.284 8.083 1.00 0.00 C ATOM 1129 CZ3 TRP A 73 -15.290 9.314 9.129 1.00 0.00 C ATOM 1130 CH2 TRP A 73 -15.438 7.953 8.834 1.00 0.00 C ATOM 0 H TRP A 73 -11.602 11.435 4.818 1.00 0.00 H new ATOM 0 HA TRP A 73 -13.297 12.148 7.053 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -10.445 11.124 6.794 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.219 11.441 8.334 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.589 8.643 6.097 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -12.196 6.657 6.504 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -14.095 11.079 8.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -14.626 6.235 7.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -16.041 9.813 9.724 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -16.301 7.421 9.206 1.00 0.00 H new ATOM 1141 N GLY A 74 -10.800 14.049 6.102 1.00 0.00 N ATOM 1142 CA GLY A 74 -10.207 15.360 6.288 1.00 0.00 C ATOM 1143 C GLY A 74 -9.835 15.628 7.733 1.00 0.00 C ATOM 1144 O GLY A 74 -8.739 15.281 8.172 1.00 0.00 O ATOM 0 H GLY A 74 -10.440 13.525 5.305 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.317 15.444 5.665 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.907 16.124 5.949 1.00 0.00 H new ATOM 1148 N GLN A 75 -10.748 16.250 8.472 1.00 0.00 N ATOM 1149 CA GLN A 75 -10.509 16.566 9.875 1.00 0.00 C ATOM 1150 C GLN A 75 -9.971 15.351 10.623 1.00 0.00 C ATOM 1151 O GLN A 75 -9.228 15.487 11.595 1.00 0.00 O ATOM 1152 CB GLN A 75 -11.798 17.057 10.536 1.00 0.00 C ATOM 1153 CG GLN A 75 -12.955 16.080 10.413 1.00 0.00 C ATOM 1154 CD GLN A 75 -14.283 16.696 10.806 1.00 0.00 C ATOM 1155 OE1 GLN A 75 -15.033 17.179 9.957 1.00 0.00 O ATOM 1156 NE2 GLN A 75 -14.583 16.681 12.100 1.00 0.00 N ATOM 0 H GLN A 75 -11.660 16.545 8.122 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.761 17.358 9.920 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.605 17.248 11.592 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.087 18.008 10.088 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.015 15.721 9.385 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.761 15.212 11.043 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.932 16.270 12.770 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -15.464 17.080 12.424 1.00 0.00 H new ATOM 1165 N TYR A 76 -10.350 14.164 10.163 1.00 0.00 N ATOM 1166 CA TYR A 76 -9.908 12.924 10.790 1.00 0.00 C ATOM 1167 C TYR A 76 -9.209 12.021 9.779 1.00 0.00 C ATOM 1168 O TYR A 76 -9.398 10.805 9.781 1.00 0.00 O ATOM 1169 CB TYR A 76 -11.098 12.189 11.410 1.00 0.00 C ATOM 1170 CG TYR A 76 -11.531 12.755 12.744 1.00 0.00 C ATOM 1171 CD1 TYR A 76 -10.719 12.642 13.865 1.00 0.00 C ATOM 1172 CD2 TYR A 76 -12.753 13.402 12.882 1.00 0.00 C ATOM 1173 CE1 TYR A 76 -11.111 13.157 15.086 1.00 0.00 C ATOM 1174 CE2 TYR A 76 -13.152 13.921 14.099 1.00 0.00 C ATOM 1175 CZ TYR A 76 -12.328 13.796 15.197 1.00 0.00 C ATOM 1176 OH TYR A 76 -12.723 14.311 16.411 1.00 0.00 O ATOM 0 H TYR A 76 -10.963 14.034 9.358 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.196 13.178 11.576 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.939 12.228 10.718 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.839 11.138 11.538 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.765 12.143 13.781 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.402 13.501 12.024 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.468 13.060 15.948 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -14.105 14.422 14.189 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.604 14.730 16.318 1.00 0.00 H new ATOM 1186 N ALA A 77 -8.399 12.626 8.916 1.00 0.00 N ATOM 1187 CA ALA A 77 -7.668 11.878 7.901 1.00 0.00 C ATOM 1188 C ALA A 77 -6.457 11.174 8.503 1.00 0.00 C ATOM 1189 O ALA A 77 -6.335 9.951 8.424 1.00 0.00 O ATOM 1190 CB ALA A 77 -7.237 12.802 6.772 1.00 0.00 C ATOM 0 H ALA A 77 -8.233 13.632 8.900 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.334 11.116 7.497 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.692 12.230 6.021 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.118 13.254 6.315 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.592 13.586 7.169 1.00 0.00 H new ATOM 1196 N SER A 78 -5.564 11.953 9.104 1.00 0.00 N ATOM 1197 CA SER A 78 -4.359 11.404 9.715 1.00 0.00 C ATOM 1198 C SER A 78 -4.713 10.378 10.787 1.00 0.00 C ATOM 1199 O SER A 78 -4.184 9.266 10.797 1.00 0.00 O ATOM 1200 CB SER A 78 -3.515 12.525 10.325 1.00 0.00 C ATOM 1201 OG SER A 78 -3.109 13.454 9.335 1.00 0.00 O ATOM 0 H SER A 78 -5.652 12.966 9.181 1.00 0.00 H new ATOM 0 HA SER A 78 -3.781 10.906 8.937 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.089 13.038 11.096 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.637 12.100 10.811 1.00 0.00 H new ATOM 0 HG SER A 78 -2.573 14.161 9.750 1.00 0.00 H new ATOM 1207 N ASP A 79 -5.611 10.760 11.689 1.00 0.00 N ATOM 1208 CA ASP A 79 -6.038 9.874 12.765 1.00 0.00 C ATOM 1209 C ASP A 79 -6.325 8.473 12.235 1.00 0.00 C ATOM 1210 O ASP A 79 -6.042 7.476 12.899 1.00 0.00 O ATOM 1211 CB ASP A 79 -7.282 10.437 13.455 1.00 0.00 C ATOM 1212 CG ASP A 79 -7.389 10.000 14.902 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -6.751 10.640 15.764 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -8.111 9.017 15.174 1.00 0.00 O ATOM 0 H ASP A 79 -6.057 11.677 11.696 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.228 9.809 13.491 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.258 11.526 13.408 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.171 10.114 12.914 1.00 0.00 H new ATOM 1219 N VAL A 80 -6.890 8.405 11.033 1.00 0.00 N ATOM 1220 CA VAL A 80 -7.216 7.126 10.413 1.00 0.00 C ATOM 1221 C VAL A 80 -5.953 6.338 10.083 1.00 0.00 C ATOM 1222 O VAL A 80 -4.960 6.903 9.627 1.00 0.00 O ATOM 1223 CB VAL A 80 -8.038 7.320 9.125 1.00 0.00 C ATOM 1224 CG1 VAL A 80 -8.426 5.975 8.531 1.00 0.00 C ATOM 1225 CG2 VAL A 80 -9.272 8.165 9.404 1.00 0.00 C ATOM 0 H VAL A 80 -7.131 9.220 10.470 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.812 6.567 11.135 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.421 7.847 8.397 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.006 6.133 7.622 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.525 5.409 8.293 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.025 5.418 9.252 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -9.842 8.292 8.483 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.893 7.667 10.149 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.967 9.142 9.780 1.00 0.00 H new ATOM 1235 N GLN A 81 -6.000 5.031 10.316 1.00 0.00 N ATOM 1236 CA GLN A 81 -4.859 4.165 10.043 1.00 0.00 C ATOM 1237 C GLN A 81 -5.280 2.954 9.217 1.00 0.00 C ATOM 1238 O GLN A 81 -6.351 2.384 9.432 1.00 0.00 O ATOM 1239 CB GLN A 81 -4.216 3.705 11.353 1.00 0.00 C ATOM 1240 CG GLN A 81 -5.146 2.886 12.233 1.00 0.00 C ATOM 1241 CD GLN A 81 -4.659 2.789 13.665 1.00 0.00 C ATOM 1242 OE1 GLN A 81 -3.628 3.359 14.022 1.00 0.00 O ATOM 1243 NE2 GLN A 81 -5.401 2.065 14.495 1.00 0.00 N ATOM 0 H GLN A 81 -6.816 4.548 10.693 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.130 4.737 9.470 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.330 3.112 11.125 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.880 4.580 11.910 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -6.140 3.334 12.221 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.243 1.883 11.818 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -6.248 1.610 14.156 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -5.123 1.964 15.471 1.00 0.00 H new ATOM 1252 N LEU A 82 -4.431 2.564 8.272 1.00 0.00 N ATOM 1253 CA LEU A 82 -4.715 1.420 7.413 1.00 0.00 C ATOM 1254 C LEU A 82 -4.207 0.127 8.043 1.00 0.00 C ATOM 1255 O LEU A 82 -3.333 0.149 8.910 1.00 0.00 O ATOM 1256 CB LEU A 82 -4.074 1.618 6.039 1.00 0.00 C ATOM 1257 CG LEU A 82 -4.880 2.444 5.035 1.00 0.00 C ATOM 1258 CD1 LEU A 82 -6.240 1.809 4.791 1.00 0.00 C ATOM 1259 CD2 LEU A 82 -5.038 3.875 5.527 1.00 0.00 C ATOM 0 H LEU A 82 -3.540 3.023 8.082 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.796 1.344 7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.105 2.097 6.178 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.885 0.637 5.603 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.337 2.464 4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.799 2.410 4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.106 0.803 4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.791 1.758 5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.614 4.448 4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.559 3.875 6.484 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.054 4.328 5.649 1.00 0.00 H new ATOM 1271 N ILE A 83 -4.758 -0.997 7.599 1.00 0.00 N ATOM 1272 CA ILE A 83 -4.358 -2.300 8.116 1.00 0.00 C ATOM 1273 C ILE A 83 -4.336 -3.348 7.009 1.00 0.00 C ATOM 1274 O ILE A 83 -5.366 -3.649 6.404 1.00 0.00 O ATOM 1275 CB ILE A 83 -5.300 -2.774 9.239 1.00 0.00 C ATOM 1276 CG1 ILE A 83 -5.467 -1.676 10.291 1.00 0.00 C ATOM 1277 CG2 ILE A 83 -4.767 -4.048 9.875 1.00 0.00 C ATOM 1278 CD1 ILE A 83 -6.630 -1.911 11.229 1.00 0.00 C ATOM 0 H ILE A 83 -5.483 -1.032 6.882 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.353 -2.183 8.522 1.00 0.00 H new ATOM 0 HB ILE A 83 -6.277 -2.989 8.807 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.549 -1.600 10.875 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.604 -0.719 9.787 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -5.444 -4.370 10.667 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -4.695 -4.830 9.119 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.780 -3.859 10.296 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.688 -1.094 11.948 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -7.556 -1.957 10.656 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -6.485 -2.852 11.760 1.00 0.00 H new ATOM 1290 N LEU A 84 -3.157 -3.903 6.751 1.00 0.00 N ATOM 1291 CA LEU A 84 -3.001 -4.921 5.717 1.00 0.00 C ATOM 1292 C LEU A 84 -3.411 -6.294 6.239 1.00 0.00 C ATOM 1293 O LEU A 84 -2.743 -6.868 7.099 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.552 -4.961 5.228 1.00 0.00 C ATOM 1295 CG LEU A 84 -1.330 -5.551 3.835 1.00 0.00 C ATOM 1296 CD1 LEU A 84 -1.881 -4.620 2.766 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.149 -5.821 3.599 1.00 0.00 C ATOM 0 H LEU A 84 -2.296 -3.666 7.243 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.653 -4.660 4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.158 -3.945 5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.964 -5.537 5.943 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.866 -6.498 3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.714 -5.057 1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.950 -4.478 2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.375 -3.657 2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.288 -6.241 2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.707 -4.888 3.681 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.513 -6.528 4.344 1.00 0.00 H new ATOM 1309 N ARG A 85 -4.513 -6.817 5.711 1.00 0.00 N ATOM 1310 CA ARG A 85 -5.012 -8.124 6.123 1.00 0.00 C ATOM 1311 C ARG A 85 -4.846 -9.147 5.003 1.00 0.00 C ATOM 1312 O ARG A 85 -4.784 -8.789 3.826 1.00 0.00 O ATOM 1313 CB ARG A 85 -6.485 -8.027 6.526 1.00 0.00 C ATOM 1314 CG ARG A 85 -7.098 -9.362 6.915 1.00 0.00 C ATOM 1315 CD ARG A 85 -6.564 -9.852 8.252 1.00 0.00 C ATOM 1316 NE ARG A 85 -6.905 -11.251 8.498 1.00 0.00 N ATOM 1317 CZ ARG A 85 -8.138 -11.673 8.755 1.00 0.00 C ATOM 1318 NH1 ARG A 85 -9.142 -10.809 8.799 1.00 0.00 N ATOM 1319 NH2 ARG A 85 -8.368 -12.962 8.969 1.00 0.00 N ATOM 0 H ARG A 85 -5.077 -6.356 4.997 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.428 -8.454 6.982 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.579 -7.336 7.363 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.053 -7.604 5.697 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.182 -9.264 6.969 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.883 -10.101 6.143 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -5.481 -9.733 8.275 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -6.969 -9.234 9.053 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.155 -11.942 8.471 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.969 -9.817 8.635 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.088 -11.136 8.997 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -7.598 -13.630 8.936 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -9.315 -13.285 9.166 1.00 0.00 H new ATOM 1333 N ARG A 86 -4.775 -10.420 5.377 1.00 0.00 N ATOM 1334 CA ARG A 86 -4.614 -11.494 4.404 1.00 0.00 C ATOM 1335 C ARG A 86 -5.930 -12.236 4.192 1.00 0.00 C ATOM 1336 O ARG A 86 -6.647 -12.538 5.146 1.00 0.00 O ATOM 1337 CB ARG A 86 -3.534 -12.473 4.868 1.00 0.00 C ATOM 1338 CG ARG A 86 -4.032 -13.500 5.871 1.00 0.00 C ATOM 1339 CD ARG A 86 -2.881 -14.148 6.624 1.00 0.00 C ATOM 1340 NE ARG A 86 -2.344 -15.306 5.913 1.00 0.00 N ATOM 1341 CZ ARG A 86 -1.436 -15.219 4.948 1.00 0.00 C ATOM 1342 NH1 ARG A 86 -0.965 -14.036 4.580 1.00 0.00 N ATOM 1343 NH2 ARG A 86 -0.997 -16.319 4.349 1.00 0.00 N ATOM 0 H ARG A 86 -4.826 -10.733 6.346 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.310 -11.050 3.456 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.130 -12.993 3.999 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.713 -11.911 5.314 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.707 -13.020 6.580 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.607 -14.267 5.352 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.088 -13.415 6.774 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.222 -14.456 7.612 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.685 -16.232 6.172 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.300 -13.189 5.038 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.268 -13.973 3.838 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.357 -17.231 4.630 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.300 -16.252 3.608 1.00 0.00 H new