USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 451 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 Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -120:sc= 1.28 (180deg=-0.0303) USER MOD Single : A 18 ASN : amide:sc= 0.269 K(o=0.27,f=-3.8!) USER MOD Single : A 19 LYS NZ :NH3+ -164:sc= -0.0532 (180deg=-0.301) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 159:sc= -0.61 (180deg=-1.26!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 166:sc= 0.0518 (180deg=-0.0894) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -36:sc= 0.075 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.0178 X(o=-0.018,f=0) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.0307 X(o=-0.031,f=-0.23) USER MOD Single : A 48 CYS SG : rot -2:sc= 0.0186 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HE2:sc= 0.0667 X(o=0.067,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 50 N LEU A 6 10.673 5.126 1.040 1.00 0.00 N ATOM 51 CA LEU A 6 9.985 5.527 2.262 1.00 0.00 C ATOM 52 C LEU A 6 8.705 4.732 2.376 1.00 0.00 C ATOM 53 O LEU A 6 7.652 5.134 1.883 1.00 0.00 O ATOM 54 CB LEU A 6 9.701 7.047 2.246 1.00 0.00 C ATOM 55 CG LEU A 6 10.962 7.948 2.086 1.00 0.00 C ATOM 56 CD1 LEU A 6 10.582 9.432 1.922 1.00 0.00 C ATOM 57 CD2 LEU A 6 11.956 7.734 3.256 1.00 0.00 C ATOM 0 HA LEU A 6 10.613 5.323 3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.011 7.264 1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.195 7.317 3.173 1.00 0.00 H new ATOM 0 HG LEU A 6 11.468 7.647 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.487 10.029 1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.959 9.552 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.031 9.766 2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.826 8.376 3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 6 11.468 7.983 4.198 1.00 0.00 H new ATOM 0 HD23 LEU A 6 12.274 6.692 3.277 1.00 0.00 H new ATOM 69 N TYR A 7 8.841 3.562 2.971 1.00 0.00 N ATOM 70 CA TYR A 7 7.717 2.689 3.339 1.00 0.00 C ATOM 71 C TYR A 7 6.797 3.353 4.390 1.00 0.00 C ATOM 72 O TYR A 7 6.855 4.571 4.619 1.00 0.00 O ATOM 73 CB TYR A 7 8.289 1.339 3.837 1.00 0.00 C ATOM 74 CG TYR A 7 8.908 0.492 2.717 1.00 0.00 C ATOM 75 CD1 TYR A 7 10.234 0.666 2.319 1.00 0.00 C ATOM 76 CD2 TYR A 7 8.148 -0.467 2.037 1.00 0.00 C ATOM 77 CE1 TYR A 7 10.780 -0.087 1.300 1.00 0.00 C ATOM 78 CE2 TYR A 7 8.693 -1.219 1.018 1.00 0.00 C ATOM 79 CZ TYR A 7 10.005 -1.025 0.653 1.00 0.00 C ATOM 80 OH TYR A 7 10.548 -1.781 -0.363 1.00 0.00 O ATOM 0 H TYR A 7 9.750 3.174 3.222 1.00 0.00 H new ATOM 0 HA TYR A 7 7.090 2.513 2.465 1.00 0.00 H new ATOM 0 HB2 TYR A 7 9.045 1.531 4.598 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.493 0.769 4.316 1.00 0.00 H new ATOM 0 HD1 TYR A 7 10.844 1.404 2.818 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.116 -0.621 2.316 1.00 0.00 H new ATOM 0 HE1 TYR A 7 11.810 0.058 1.011 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.092 -1.958 0.508 1.00 0.00 H new ATOM 0 HH TYR A 7 9.869 -2.395 -0.712 1.00 0.00 H new ATOM 90 N GLU A 8 5.950 2.540 5.032 1.00 0.00 N ATOM 91 CA GLU A 8 4.962 3.029 5.994 1.00 0.00 C ATOM 92 C GLU A 8 5.709 3.383 7.269 1.00 0.00 C ATOM 93 O GLU A 8 5.972 2.514 8.085 1.00 0.00 O ATOM 94 CB GLU A 8 3.847 1.977 6.258 1.00 0.00 C ATOM 95 CG GLU A 8 2.782 2.426 7.280 1.00 0.00 C ATOM 96 CD GLU A 8 1.644 1.409 7.457 1.00 0.00 C ATOM 97 OE1 GLU A 8 0.728 1.381 6.607 1.00 0.00 O ATOM 98 OE2 GLU A 8 1.661 0.633 8.433 1.00 0.00 O ATOM 0 H GLU A 8 5.932 1.529 4.898 1.00 0.00 H new ATOM 0 HA GLU A 8 4.453 3.908 5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.353 1.743 5.315 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.309 1.056 6.613 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.262 2.595 8.244 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.362 3.380 6.961 1.00 0.00 H new ATOM 105 N VAL A 9 6.140 4.650 7.356 1.00 0.00 N ATOM 106 CA VAL A 9 6.904 5.161 8.492 1.00 0.00 C ATOM 107 C VAL A 9 6.029 5.182 9.752 1.00 0.00 C ATOM 108 O VAL A 9 4.832 5.477 9.678 1.00 0.00 O ATOM 109 CB VAL A 9 7.484 6.604 8.207 1.00 0.00 C ATOM 110 CG1 VAL A 9 8.436 6.589 6.983 1.00 0.00 C ATOM 111 CG2 VAL A 9 6.355 7.651 8.017 1.00 0.00 C ATOM 0 H VAL A 9 5.965 5.349 6.634 1.00 0.00 H new ATOM 0 HA VAL A 9 7.749 4.490 8.651 1.00 0.00 H new ATOM 0 HB VAL A 9 8.060 6.901 9.084 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.821 7.594 6.809 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.267 5.911 7.177 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.890 6.252 6.102 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.795 8.629 7.823 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.728 7.361 7.173 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.747 7.699 8.921 1.00 0.00 H new ATOM 121 N GLU A 10 6.611 4.802 10.895 1.00 0.00 N ATOM 122 CA GLU A 10 5.989 5.040 12.189 1.00 0.00 C ATOM 123 C GLU A 10 6.079 6.536 12.482 1.00 0.00 C ATOM 124 O GLU A 10 5.049 7.205 12.608 1.00 0.00 O ATOM 125 CB GLU A 10 6.680 4.229 13.310 1.00 0.00 C ATOM 126 CG GLU A 10 6.027 4.381 14.701 1.00 0.00 C ATOM 127 CD GLU A 10 4.586 3.843 14.759 1.00 0.00 C ATOM 128 OE1 GLU A 10 4.408 2.634 15.006 1.00 0.00 O ATOM 129 OE2 GLU A 10 3.623 4.616 14.557 1.00 0.00 O ATOM 0 H GLU A 10 7.513 4.328 10.943 1.00 0.00 H new ATOM 0 HA GLU A 10 4.949 4.715 12.158 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.677 3.175 13.034 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.723 4.538 13.376 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.634 3.856 15.439 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.026 5.434 14.981 1.00 0.00 H new ATOM 136 N ARG A 11 7.337 7.047 12.513 1.00 0.00 N ATOM 137 CA ARG A 11 7.638 8.463 12.829 1.00 0.00 C ATOM 138 C ARG A 11 9.159 8.676 12.896 1.00 0.00 C ATOM 139 O ARG A 11 9.946 7.730 12.687 1.00 0.00 O ATOM 140 CB ARG A 11 6.973 8.902 14.180 1.00 0.00 C ATOM 141 CG ARG A 11 7.581 8.267 15.454 1.00 0.00 C ATOM 142 CD ARG A 11 6.627 8.323 16.667 1.00 0.00 C ATOM 143 NE ARG A 11 6.115 9.680 16.933 1.00 0.00 N ATOM 144 CZ ARG A 11 5.329 10.034 17.963 1.00 0.00 C ATOM 145 NH1 ARG A 11 4.987 9.166 18.895 1.00 0.00 N ATOM 146 NH2 ARG A 11 4.895 11.280 18.042 1.00 0.00 N ATOM 0 H ARG A 11 8.168 6.488 12.320 1.00 0.00 H new ATOM 0 HA ARG A 11 7.221 9.081 12.034 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.044 9.986 14.265 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.912 8.654 14.141 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.839 7.228 15.249 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.509 8.782 15.704 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.787 7.651 16.493 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.150 7.958 17.551 1.00 0.00 H new ATOM 0 HE ARG A 11 6.381 10.414 16.277 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.320 8.203 18.843 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.389 9.457 19.668 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.158 11.958 17.327 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.297 11.564 18.818 1.00 0.00 H new ATOM 160 N ILE A 12 9.565 9.926 13.176 1.00 0.00 N ATOM 161 CA ILE A 12 10.966 10.254 13.442 1.00 0.00 C ATOM 162 C ILE A 12 11.302 9.930 14.909 1.00 0.00 C ATOM 163 O ILE A 12 10.531 10.232 15.819 1.00 0.00 O ATOM 164 CB ILE A 12 11.307 11.762 13.157 1.00 0.00 C ATOM 165 CG1 ILE A 12 10.779 12.204 11.753 1.00 0.00 C ATOM 166 CG2 ILE A 12 12.839 12.000 13.283 1.00 0.00 C ATOM 167 CD1 ILE A 12 11.269 13.567 11.297 1.00 0.00 C ATOM 0 H ILE A 12 8.935 10.726 13.223 1.00 0.00 H new ATOM 0 HA ILE A 12 11.567 9.650 12.763 1.00 0.00 H new ATOM 0 HB ILE A 12 10.802 12.376 13.903 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.078 11.459 11.015 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.689 12.212 11.775 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.062 13.048 13.083 1.00 0.00 H new ATOM 0 HG22 ILE A 12 13.165 11.745 14.291 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.365 11.373 12.563 1.00 0.00 H new ATOM 0 HD11 ILE A 12 10.854 13.793 10.315 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.948 14.326 12.010 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.357 13.562 11.239 1.00 0.00 H new ATOM 179 N VAL A 13 12.447 9.288 15.089 1.00 0.00 N ATOM 180 CA VAL A 13 13.019 8.915 16.385 1.00 0.00 C ATOM 181 C VAL A 13 13.959 10.029 16.882 1.00 0.00 C ATOM 182 O VAL A 13 13.821 10.540 18.004 1.00 0.00 O ATOM 183 CB VAL A 13 13.821 7.570 16.215 1.00 0.00 C ATOM 184 CG1 VAL A 13 14.545 7.134 17.504 1.00 0.00 C ATOM 185 CG2 VAL A 13 12.899 6.460 15.680 1.00 0.00 C ATOM 0 H VAL A 13 13.032 8.998 14.305 1.00 0.00 H new ATOM 0 HA VAL A 13 12.223 8.779 17.117 1.00 0.00 H new ATOM 0 HB VAL A 13 14.606 7.755 15.482 1.00 0.00 H new ATOM 0 HG11 VAL A 13 15.079 6.201 17.323 1.00 0.00 H new ATOM 0 HG12 VAL A 13 15.254 7.907 17.802 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.814 6.985 18.299 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.468 5.537 15.568 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.080 6.298 16.381 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.495 6.757 14.712 1.00 0.00 H new ATOM 195 N ASP A 14 14.885 10.423 15.995 1.00 0.00 N ATOM 196 CA ASP A 14 16.034 11.276 16.334 1.00 0.00 C ATOM 197 C ASP A 14 16.600 11.880 15.031 1.00 0.00 C ATOM 198 O ASP A 14 16.060 11.639 13.948 1.00 0.00 O ATOM 199 CB ASP A 14 17.092 10.415 17.105 1.00 0.00 C ATOM 200 CG ASP A 14 18.324 11.177 17.639 1.00 0.00 C ATOM 201 OD1 ASP A 14 18.191 12.355 18.041 1.00 0.00 O ATOM 202 OD2 ASP A 14 19.436 10.610 17.639 1.00 0.00 O ATOM 0 H ASP A 14 14.857 10.155 15.011 1.00 0.00 H new ATOM 0 HA ASP A 14 15.743 12.101 16.985 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.595 9.932 17.947 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.439 9.622 16.442 1.00 0.00 H new ATOM 207 N LYS A 15 17.643 12.701 15.141 1.00 0.00 N ATOM 208 CA LYS A 15 18.417 13.199 13.997 1.00 0.00 C ATOM 209 C LYS A 15 19.908 13.163 14.360 1.00 0.00 C ATOM 210 O LYS A 15 20.264 12.902 15.518 1.00 0.00 O ATOM 211 CB LYS A 15 17.937 14.635 13.588 1.00 0.00 C ATOM 212 CG LYS A 15 18.226 15.772 14.610 1.00 0.00 C ATOM 213 CD LYS A 15 19.600 16.458 14.397 1.00 0.00 C ATOM 214 CE LYS A 15 19.968 17.400 15.554 1.00 0.00 C ATOM 215 NZ LYS A 15 21.298 18.021 15.377 1.00 0.00 N ATOM 0 H LYS A 15 17.982 13.046 16.039 1.00 0.00 H new ATOM 0 HA LYS A 15 18.258 12.562 13.127 1.00 0.00 H new ATOM 0 HB2 LYS A 15 18.409 14.897 12.641 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.862 14.599 13.410 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.439 16.523 14.539 1.00 0.00 H new ATOM 0 HG3 LYS A 15 18.186 15.362 15.619 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.372 15.695 14.293 1.00 0.00 H new ATOM 0 HD3 LYS A 15 19.581 17.022 13.464 1.00 0.00 H new ATOM 0 HE2 LYS A 15 19.213 18.182 15.636 1.00 0.00 H new ATOM 0 HE3 LYS A 15 19.952 16.843 16.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.499 18.647 16.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 22.024 17.278 15.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 21.308 18.576 14.497 1.00 0.00 H new ATOM 229 N ARG A 16 20.761 13.455 13.368 1.00 0.00 N ATOM 230 CA ARG A 16 22.215 13.570 13.540 1.00 0.00 C ATOM 231 C ARG A 16 22.844 14.188 12.280 1.00 0.00 C ATOM 232 O ARG A 16 22.161 14.409 11.268 1.00 0.00 O ATOM 233 CB ARG A 16 22.844 12.186 13.900 1.00 0.00 C ATOM 234 CG ARG A 16 22.717 11.059 12.829 1.00 0.00 C ATOM 235 CD ARG A 16 23.923 10.984 11.879 1.00 0.00 C ATOM 236 NE ARG A 16 23.860 9.841 10.952 1.00 0.00 N ATOM 237 CZ ARG A 16 24.704 8.795 10.944 1.00 0.00 C ATOM 238 NH1 ARG A 16 25.624 8.646 11.892 1.00 0.00 N ATOM 239 NH2 ARG A 16 24.599 7.886 9.994 1.00 0.00 N ATOM 0 H ARG A 16 20.455 13.620 12.409 1.00 0.00 H new ATOM 0 HA ARG A 16 22.426 14.236 14.376 1.00 0.00 H new ATOM 0 HB2 ARG A 16 23.903 12.338 14.110 1.00 0.00 H new ATOM 0 HB3 ARG A 16 22.383 11.832 14.822 1.00 0.00 H new ATOM 0 HG2 ARG A 16 22.600 10.100 13.333 1.00 0.00 H new ATOM 0 HG3 ARG A 16 21.812 11.224 12.244 1.00 0.00 H new ATOM 0 HD2 ARG A 16 23.982 11.908 11.303 1.00 0.00 H new ATOM 0 HD3 ARG A 16 24.838 10.916 12.468 1.00 0.00 H new ATOM 0 HE ARG A 16 23.113 9.844 10.258 1.00 0.00 H new ATOM 0 HH11 ARG A 16 25.698 9.332 12.643 1.00 0.00 H new ATOM 0 HH12 ARG A 16 26.255 7.845 11.869 1.00 0.00 H new ATOM 0 HH21 ARG A 16 23.882 7.981 9.274 1.00 0.00 H new ATOM 0 HH22 ARG A 16 25.235 7.088 9.979 1.00 0.00 H new ATOM 253 N LYS A 17 24.143 14.504 12.367 1.00 0.00 N ATOM 254 CA LYS A 17 24.940 14.958 11.219 1.00 0.00 C ATOM 255 C LYS A 17 25.629 13.728 10.604 1.00 0.00 C ATOM 256 O LYS A 17 26.399 13.042 11.291 1.00 0.00 O ATOM 257 CB LYS A 17 26.000 16.043 11.641 1.00 0.00 C ATOM 258 CG LYS A 17 26.267 17.174 10.602 1.00 0.00 C ATOM 259 CD LYS A 17 25.316 18.399 10.719 1.00 0.00 C ATOM 260 CE LYS A 17 23.852 18.110 10.343 1.00 0.00 C ATOM 261 NZ LYS A 17 22.982 19.291 10.538 1.00 0.00 N ATOM 0 H LYS A 17 24.672 14.452 13.237 1.00 0.00 H new ATOM 0 HA LYS A 17 24.287 15.431 10.486 1.00 0.00 H new ATOM 0 HB2 LYS A 17 25.670 16.503 12.573 1.00 0.00 H new ATOM 0 HB3 LYS A 17 26.943 15.539 11.851 1.00 0.00 H new ATOM 0 HG2 LYS A 17 27.295 17.517 10.714 1.00 0.00 H new ATOM 0 HG3 LYS A 17 26.178 16.756 9.599 1.00 0.00 H new ATOM 0 HD2 LYS A 17 25.348 18.771 11.743 1.00 0.00 H new ATOM 0 HD3 LYS A 17 25.692 19.197 10.078 1.00 0.00 H new ATOM 0 HE2 LYS A 17 23.802 17.792 9.302 1.00 0.00 H new ATOM 0 HE3 LYS A 17 23.480 17.283 10.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 22.236 19.063 11.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 23.550 20.086 10.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 22.548 19.556 9.631 1.00 0.00 H new ATOM 275 N ASN A 18 25.299 13.420 9.334 1.00 0.00 N ATOM 276 CA ASN A 18 25.952 12.349 8.536 1.00 0.00 C ATOM 277 C ASN A 18 27.487 12.565 8.499 1.00 0.00 C ATOM 278 O ASN A 18 27.968 13.670 8.771 1.00 0.00 O ATOM 279 CB ASN A 18 25.356 12.347 7.089 1.00 0.00 C ATOM 280 CG ASN A 18 25.906 11.235 6.171 1.00 0.00 C ATOM 281 OD1 ASN A 18 26.895 11.428 5.469 1.00 0.00 O ATOM 282 ND2 ASN A 18 25.275 10.072 6.181 1.00 0.00 N ATOM 0 H ASN A 18 24.565 13.910 8.823 1.00 0.00 H new ATOM 0 HA ASN A 18 25.761 11.381 9.000 1.00 0.00 H new ATOM 0 HB2 ASN A 18 24.273 12.243 7.156 1.00 0.00 H new ATOM 0 HB3 ASN A 18 25.555 13.314 6.627 1.00 0.00 H new ATOM 0 HD21 ASN A 18 25.608 9.306 5.595 1.00 0.00 H new ATOM 0 HD22 ASN A 18 24.456 9.941 6.775 1.00 0.00 H new ATOM 289 N LYS A 19 28.243 11.506 8.163 1.00 0.00 N ATOM 290 CA LYS A 19 29.726 11.544 8.090 1.00 0.00 C ATOM 291 C LYS A 19 30.248 12.602 7.087 1.00 0.00 C ATOM 292 O LYS A 19 31.379 13.076 7.202 1.00 0.00 O ATOM 293 CB LYS A 19 30.266 10.116 7.772 1.00 0.00 C ATOM 294 CG LYS A 19 29.720 9.433 6.483 1.00 0.00 C ATOM 295 CD LYS A 19 30.475 9.829 5.188 1.00 0.00 C ATOM 296 CE LYS A 19 30.058 8.972 3.984 1.00 0.00 C ATOM 297 NZ LYS A 19 30.374 7.530 4.193 1.00 0.00 N ATOM 0 H LYS A 19 27.848 10.594 7.933 1.00 0.00 H new ATOM 0 HA LYS A 19 30.108 11.857 9.062 1.00 0.00 H new ATOM 0 HB2 LYS A 19 31.352 10.172 7.693 1.00 0.00 H new ATOM 0 HB3 LYS A 19 30.041 9.470 8.621 1.00 0.00 H new ATOM 0 HG2 LYS A 19 29.775 8.351 6.607 1.00 0.00 H new ATOM 0 HG3 LYS A 19 28.666 9.687 6.369 1.00 0.00 H new ATOM 0 HD2 LYS A 19 30.285 10.879 4.966 1.00 0.00 H new ATOM 0 HD3 LYS A 19 31.548 9.726 5.350 1.00 0.00 H new ATOM 0 HE2 LYS A 19 28.988 9.088 3.809 1.00 0.00 H new ATOM 0 HE3 LYS A 19 30.568 9.330 3.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 30.335 7.031 3.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 31.328 7.439 4.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 29.680 7.114 4.846 1.00 0.00 H new ATOM 311 N LYS A 20 29.391 12.961 6.115 1.00 0.00 N ATOM 312 CA LYS A 20 29.673 13.999 5.105 1.00 0.00 C ATOM 313 C LYS A 20 29.114 15.380 5.572 1.00 0.00 C ATOM 314 O LYS A 20 28.924 16.295 4.764 1.00 0.00 O ATOM 315 CB LYS A 20 29.051 13.549 3.742 1.00 0.00 C ATOM 316 CG LYS A 20 29.676 14.216 2.466 1.00 0.00 C ATOM 317 CD LYS A 20 28.636 14.912 1.552 1.00 0.00 C ATOM 318 CE LYS A 20 27.576 13.955 0.976 1.00 0.00 C ATOM 319 NZ LYS A 20 28.122 13.047 -0.061 1.00 0.00 N ATOM 0 H LYS A 20 28.471 12.534 6.007 1.00 0.00 H new ATOM 0 HA LYS A 20 30.749 14.120 4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 20 29.154 12.467 3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 20 27.983 13.767 3.759 1.00 0.00 H new ATOM 0 HG2 LYS A 20 30.420 14.949 2.778 1.00 0.00 H new ATOM 0 HG3 LYS A 20 30.201 13.454 1.889 1.00 0.00 H new ATOM 0 HD2 LYS A 20 28.134 15.696 2.119 1.00 0.00 H new ATOM 0 HD3 LYS A 20 29.158 15.399 0.728 1.00 0.00 H new ATOM 0 HE2 LYS A 20 27.152 13.361 1.785 1.00 0.00 H new ATOM 0 HE3 LYS A 20 26.761 14.539 0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 27.365 12.426 -0.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 28.503 13.609 -0.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 28.882 12.468 0.350 1.00 0.00 H new ATOM 333 N GLY A 21 28.862 15.496 6.894 1.00 0.00 N ATOM 334 CA GLY A 21 28.361 16.721 7.537 1.00 0.00 C ATOM 335 C GLY A 21 26.999 17.191 7.037 1.00 0.00 C ATOM 336 O GLY A 21 26.717 18.389 7.025 1.00 0.00 O ATOM 0 H GLY A 21 29.004 14.728 7.550 1.00 0.00 H new ATOM 0 HA2 GLY A 21 28.300 16.552 8.612 1.00 0.00 H new ATOM 0 HA3 GLY A 21 29.086 17.520 7.381 1.00 0.00 H new ATOM 340 N LYS A 22 26.145 16.241 6.646 1.00 0.00 N ATOM 341 CA LYS A 22 24.805 16.536 6.097 1.00 0.00 C ATOM 342 C LYS A 22 23.727 16.315 7.154 1.00 0.00 C ATOM 343 O LYS A 22 23.927 15.561 8.102 1.00 0.00 O ATOM 344 CB LYS A 22 24.541 15.659 4.844 1.00 0.00 C ATOM 345 CG LYS A 22 25.492 15.975 3.669 1.00 0.00 C ATOM 346 CD LYS A 22 25.309 17.418 3.138 1.00 0.00 C ATOM 347 CE LYS A 22 26.406 17.840 2.148 1.00 0.00 C ATOM 348 NZ LYS A 22 27.739 17.938 2.802 1.00 0.00 N ATOM 0 H LYS A 22 26.356 15.245 6.698 1.00 0.00 H new ATOM 0 HA LYS A 22 24.770 17.584 5.801 1.00 0.00 H new ATOM 0 HB2 LYS A 22 24.646 14.608 5.115 1.00 0.00 H new ATOM 0 HB3 LYS A 22 23.511 15.803 4.518 1.00 0.00 H new ATOM 0 HG2 LYS A 22 26.524 15.837 3.992 1.00 0.00 H new ATOM 0 HG3 LYS A 22 25.314 15.267 2.860 1.00 0.00 H new ATOM 0 HD2 LYS A 22 24.337 17.499 2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 22 25.302 18.110 3.980 1.00 0.00 H new ATOM 0 HE2 LYS A 22 26.455 17.119 1.332 1.00 0.00 H new ATOM 0 HE3 LYS A 22 26.146 18.803 1.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 28.485 17.870 2.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 27.817 18.850 3.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 27.848 17.163 3.487 1.00 0.00 H new ATOM 362 N TRP A 23 22.601 17.018 7.000 1.00 0.00 N ATOM 363 CA TRP A 23 21.411 16.822 7.834 1.00 0.00 C ATOM 364 C TRP A 23 20.849 15.411 7.582 1.00 0.00 C ATOM 365 O TRP A 23 20.683 15.003 6.422 1.00 0.00 O ATOM 366 CB TRP A 23 20.346 17.903 7.518 1.00 0.00 C ATOM 367 CG TRP A 23 20.660 19.296 8.012 1.00 0.00 C ATOM 368 CD1 TRP A 23 21.731 20.078 7.680 1.00 0.00 C ATOM 369 CD2 TRP A 23 19.860 20.077 8.907 1.00 0.00 C ATOM 370 NE1 TRP A 23 21.653 21.280 8.333 1.00 0.00 N ATOM 371 CE2 TRP A 23 20.512 21.308 9.088 1.00 0.00 C ATOM 372 CE3 TRP A 23 18.650 19.847 9.576 1.00 0.00 C ATOM 373 CZ2 TRP A 23 20.003 22.306 9.911 1.00 0.00 C ATOM 374 CZ3 TRP A 23 18.144 20.838 10.390 1.00 0.00 C ATOM 375 CH2 TRP A 23 18.818 22.056 10.552 1.00 0.00 C ATOM 0 H TRP A 23 22.489 17.742 6.290 1.00 0.00 H new ATOM 0 HA TRP A 23 21.681 16.918 8.886 1.00 0.00 H new ATOM 0 HB2 TRP A 23 20.205 17.943 6.438 1.00 0.00 H new ATOM 0 HB3 TRP A 23 19.396 17.589 7.951 1.00 0.00 H new ATOM 0 HD1 TRP A 23 22.522 19.791 7.003 1.00 0.00 H new ATOM 0 HE1 TRP A 23 22.337 22.034 8.267 1.00 0.00 H new ATOM 0 HE3 TRP A 23 18.124 18.911 9.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 20.522 23.244 10.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 17.213 20.673 10.911 1.00 0.00 H new ATOM 0 HH2 TRP A 23 18.395 22.813 11.195 1.00 0.00 H new ATOM 386 N GLU A 24 20.583 14.673 8.664 1.00 0.00 N ATOM 387 CA GLU A 24 20.101 13.289 8.584 1.00 0.00 C ATOM 388 C GLU A 24 19.183 12.999 9.776 1.00 0.00 C ATOM 389 O GLU A 24 19.301 13.648 10.811 1.00 0.00 O ATOM 390 CB GLU A 24 21.317 12.329 8.537 1.00 0.00 C ATOM 391 CG GLU A 24 20.964 10.872 8.174 1.00 0.00 C ATOM 392 CD GLU A 24 22.115 10.129 7.485 1.00 0.00 C ATOM 393 OE1 GLU A 24 23.004 9.607 8.185 1.00 0.00 O ATOM 394 OE2 GLU A 24 22.152 10.093 6.235 1.00 0.00 O ATOM 0 H GLU A 24 20.695 15.016 9.618 1.00 0.00 H new ATOM 0 HA GLU A 24 19.519 13.137 7.675 1.00 0.00 H new ATOM 0 HB2 GLU A 24 22.036 12.708 7.810 1.00 0.00 H new ATOM 0 HB3 GLU A 24 21.811 12.339 9.509 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.684 10.335 9.081 1.00 0.00 H new ATOM 0 HG3 GLU A 24 20.093 10.868 7.519 1.00 0.00 H new ATOM 401 N TYR A 25 18.254 12.046 9.615 1.00 0.00 N ATOM 402 CA TYR A 25 17.204 11.750 10.604 1.00 0.00 C ATOM 403 C TYR A 25 17.061 10.234 10.813 1.00 0.00 C ATOM 404 O TYR A 25 16.975 9.472 9.853 1.00 0.00 O ATOM 405 CB TYR A 25 15.848 12.361 10.146 1.00 0.00 C ATOM 406 CG TYR A 25 15.709 13.880 10.373 1.00 0.00 C ATOM 407 CD1 TYR A 25 16.298 14.811 9.510 1.00 0.00 C ATOM 408 CD2 TYR A 25 14.973 14.378 11.451 1.00 0.00 C ATOM 409 CE1 TYR A 25 16.156 16.171 9.720 1.00 0.00 C ATOM 410 CE2 TYR A 25 14.831 15.733 11.659 1.00 0.00 C ATOM 411 CZ TYR A 25 15.419 16.623 10.793 1.00 0.00 C ATOM 412 OH TYR A 25 15.273 17.970 11.007 1.00 0.00 O ATOM 0 H TYR A 25 18.209 11.452 8.787 1.00 0.00 H new ATOM 0 HA TYR A 25 17.492 12.200 11.554 1.00 0.00 H new ATOM 0 HB2 TYR A 25 15.713 12.153 9.084 1.00 0.00 H new ATOM 0 HB3 TYR A 25 15.041 11.854 10.675 1.00 0.00 H new ATOM 0 HD1 TYR A 25 16.873 14.462 8.665 1.00 0.00 H new ATOM 0 HD2 TYR A 25 14.505 13.686 12.136 1.00 0.00 H new ATOM 0 HE1 TYR A 25 16.621 16.875 9.046 1.00 0.00 H new ATOM 0 HE2 TYR A 25 14.259 16.094 12.501 1.00 0.00 H new ATOM 0 HH TYR A 25 14.723 18.117 11.805 1.00 0.00 H new ATOM 422 N LEU A 26 17.041 9.824 12.086 1.00 0.00 N ATOM 423 CA LEU A 26 16.760 8.449 12.503 1.00 0.00 C ATOM 424 C LEU A 26 15.244 8.209 12.400 1.00 0.00 C ATOM 425 O LEU A 26 14.484 8.813 13.146 1.00 0.00 O ATOM 426 CB LEU A 26 17.260 8.247 13.963 1.00 0.00 C ATOM 427 CG LEU A 26 17.444 6.784 14.445 1.00 0.00 C ATOM 428 CD1 LEU A 26 18.441 6.035 13.555 1.00 0.00 C ATOM 429 CD2 LEU A 26 17.884 6.731 15.929 1.00 0.00 C ATOM 0 H LEU A 26 17.223 10.452 12.869 1.00 0.00 H new ATOM 0 HA LEU A 26 17.276 7.735 11.862 1.00 0.00 H new ATOM 0 HB2 LEU A 26 18.215 8.762 14.069 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.556 8.739 14.634 1.00 0.00 H new ATOM 0 HG LEU A 26 16.477 6.287 14.366 1.00 0.00 H new ATOM 0 HD11 LEU A 26 18.552 5.012 13.914 1.00 0.00 H new ATOM 0 HD12 LEU A 26 18.074 6.021 12.529 1.00 0.00 H new ATOM 0 HD13 LEU A 26 19.407 6.538 13.588 1.00 0.00 H new ATOM 0 HD21 LEU A 26 18.004 5.692 16.236 1.00 0.00 H new ATOM 0 HD22 LEU A 26 18.832 7.256 16.046 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.126 7.208 16.551 1.00 0.00 H new ATOM 441 N ILE A 27 14.812 7.387 11.428 1.00 0.00 N ATOM 442 CA ILE A 27 13.379 7.082 11.180 1.00 0.00 C ATOM 443 C ILE A 27 13.128 5.576 11.364 1.00 0.00 C ATOM 444 O ILE A 27 13.931 4.759 10.908 1.00 0.00 O ATOM 445 CB ILE A 27 12.920 7.458 9.703 1.00 0.00 C ATOM 446 CG1 ILE A 27 13.503 8.828 9.224 1.00 0.00 C ATOM 447 CG2 ILE A 27 11.371 7.437 9.562 1.00 0.00 C ATOM 448 CD1 ILE A 27 13.001 10.038 9.969 1.00 0.00 C ATOM 0 H ILE A 27 15.444 6.910 10.786 1.00 0.00 H new ATOM 0 HA ILE A 27 12.810 7.679 11.892 1.00 0.00 H new ATOM 0 HB ILE A 27 13.331 6.688 9.050 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.589 8.793 9.312 1.00 0.00 H new ATOM 0 HG13 ILE A 27 13.273 8.952 8.166 1.00 0.00 H new ATOM 0 HG21 ILE A 27 11.095 7.699 8.540 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.998 6.440 9.794 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.933 8.158 10.252 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.465 10.935 9.560 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.919 10.108 9.861 1.00 0.00 H new ATOM 0 HD13 ILE A 27 13.255 9.947 11.025 1.00 0.00 H new ATOM 460 N ARG A 28 11.998 5.215 11.994 1.00 0.00 N ATOM 461 CA ARG A 28 11.529 3.812 12.080 1.00 0.00 C ATOM 462 C ARG A 28 10.205 3.678 11.318 1.00 0.00 C ATOM 463 O ARG A 28 9.392 4.623 11.311 1.00 0.00 O ATOM 464 CB ARG A 28 11.353 3.359 13.548 1.00 0.00 C ATOM 465 CG ARG A 28 10.365 4.208 14.367 1.00 0.00 C ATOM 466 CD ARG A 28 10.150 3.662 15.785 1.00 0.00 C ATOM 467 NE ARG A 28 11.425 3.533 16.537 1.00 0.00 N ATOM 468 CZ ARG A 28 11.589 3.792 17.844 1.00 0.00 C ATOM 469 NH1 ARG A 28 10.588 4.266 18.573 1.00 0.00 N ATOM 470 NH2 ARG A 28 12.773 3.609 18.406 1.00 0.00 N ATOM 0 H ARG A 28 11.382 5.882 12.459 1.00 0.00 H new ATOM 0 HA ARG A 28 12.283 3.166 11.630 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.015 2.323 13.556 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.325 3.381 14.040 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.735 5.231 14.428 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.407 4.246 13.848 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.475 4.323 16.328 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.664 2.688 15.727 1.00 0.00 H new ATOM 0 HE ARG A 28 12.245 3.221 16.016 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.680 4.438 18.142 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.726 4.458 19.565 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.557 3.272 17.846 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.902 3.805 19.399 1.00 0.00 H new ATOM 484 N TRP A 29 10.022 2.527 10.642 1.00 0.00 N ATOM 485 CA TRP A 29 8.796 2.211 9.885 1.00 0.00 C ATOM 486 C TRP A 29 7.867 1.337 10.743 1.00 0.00 C ATOM 487 O TRP A 29 8.331 0.450 11.448 1.00 0.00 O ATOM 488 CB TRP A 29 9.119 1.536 8.518 1.00 0.00 C ATOM 489 CG TRP A 29 10.103 2.313 7.660 1.00 0.00 C ATOM 490 CD1 TRP A 29 10.280 3.671 7.625 1.00 0.00 C ATOM 491 CD2 TRP A 29 11.019 1.780 6.697 1.00 0.00 C ATOM 492 NE1 TRP A 29 11.248 4.006 6.720 1.00 0.00 N ATOM 493 CE2 TRP A 29 11.719 2.865 6.140 1.00 0.00 C ATOM 494 CE3 TRP A 29 11.325 0.492 6.262 1.00 0.00 C ATOM 495 CZ2 TRP A 29 12.693 2.703 5.165 1.00 0.00 C ATOM 496 CZ3 TRP A 29 12.292 0.331 5.294 1.00 0.00 C ATOM 497 CH2 TRP A 29 12.970 1.430 4.756 1.00 0.00 C ATOM 0 H TRP A 29 10.724 1.788 10.606 1.00 0.00 H new ATOM 0 HA TRP A 29 8.282 3.144 9.655 1.00 0.00 H new ATOM 0 HB2 TRP A 29 9.522 0.540 8.703 1.00 0.00 H new ATOM 0 HB3 TRP A 29 8.191 1.406 7.961 1.00 0.00 H new ATOM 0 HD1 TRP A 29 9.731 4.379 8.229 1.00 0.00 H new ATOM 0 HE1 TRP A 29 11.566 4.953 6.513 1.00 0.00 H new ATOM 0 HE3 TRP A 29 10.813 -0.364 6.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 13.212 3.552 4.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 12.531 -0.662 4.944 1.00 0.00 H new ATOM 0 HH2 TRP A 29 13.727 1.269 4.003 1.00 0.00 H new ATOM 508 N LYS A 30 6.557 1.625 10.654 1.00 0.00 N ATOM 509 CA LYS A 30 5.494 1.057 11.505 1.00 0.00 C ATOM 510 C LYS A 30 5.545 -0.489 11.571 1.00 0.00 C ATOM 511 O LYS A 30 5.778 -1.153 10.552 1.00 0.00 O ATOM 512 CB LYS A 30 4.108 1.547 10.983 1.00 0.00 C ATOM 513 CG LYS A 30 2.997 1.575 12.049 1.00 0.00 C ATOM 514 CD LYS A 30 1.632 2.044 11.495 1.00 0.00 C ATOM 515 CE LYS A 30 0.652 2.464 12.602 1.00 0.00 C ATOM 516 NZ LYS A 30 1.153 3.652 13.353 1.00 0.00 N ATOM 0 H LYS A 30 6.195 2.283 9.963 1.00 0.00 H new ATOM 0 HA LYS A 30 5.652 1.408 12.525 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.223 2.549 10.570 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.793 0.900 10.165 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.886 0.578 12.474 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.299 2.236 12.861 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.789 2.883 10.818 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.187 1.240 10.909 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.319 2.693 12.162 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.502 1.633 13.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.381 4.053 13.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.932 3.364 13.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.496 4.368 12.681 1.00 0.00 H new ATOM 530 N GLY A 31 5.348 -1.040 12.785 1.00 0.00 N ATOM 531 CA GLY A 31 5.452 -2.488 13.034 1.00 0.00 C ATOM 532 C GLY A 31 6.841 -2.903 13.504 1.00 0.00 C ATOM 533 O GLY A 31 7.001 -3.884 14.243 1.00 0.00 O ATOM 0 H GLY A 31 5.114 -0.496 13.615 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.717 -2.778 13.785 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.205 -3.029 12.120 1.00 0.00 H new ATOM 537 N TYR A 32 7.850 -2.139 13.064 1.00 0.00 N ATOM 538 CA TYR A 32 9.257 -2.353 13.404 1.00 0.00 C ATOM 539 C TYR A 32 9.749 -1.105 14.172 1.00 0.00 C ATOM 540 O TYR A 32 9.971 -0.048 13.571 1.00 0.00 O ATOM 541 CB TYR A 32 10.085 -2.573 12.103 1.00 0.00 C ATOM 542 CG TYR A 32 9.489 -3.575 11.099 1.00 0.00 C ATOM 543 CD1 TYR A 32 8.526 -3.171 10.165 1.00 0.00 C ATOM 544 CD2 TYR A 32 9.885 -4.912 11.082 1.00 0.00 C ATOM 545 CE1 TYR A 32 7.981 -4.063 9.263 1.00 0.00 C ATOM 546 CE2 TYR A 32 9.340 -5.810 10.177 1.00 0.00 C ATOM 547 CZ TYR A 32 8.391 -5.382 9.272 1.00 0.00 C ATOM 548 OH TYR A 32 7.851 -6.273 8.369 1.00 0.00 O ATOM 0 H TYR A 32 7.704 -1.339 12.449 1.00 0.00 H new ATOM 0 HA TYR A 32 9.379 -3.239 14.027 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.205 -1.612 11.603 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.082 -2.914 12.381 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.203 -2.140 10.150 1.00 0.00 H new ATOM 0 HD2 TYR A 32 10.629 -5.254 11.786 1.00 0.00 H new ATOM 0 HE1 TYR A 32 7.237 -3.731 8.554 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.658 -6.842 10.181 1.00 0.00 H new ATOM 0 HH TYR A 32 8.247 -7.159 8.507 1.00 0.00 H new ATOM 558 N GLY A 33 9.877 -1.219 15.501 1.00 0.00 N ATOM 559 CA GLY A 33 10.181 -0.068 16.349 1.00 0.00 C ATOM 560 C GLY A 33 11.668 0.258 16.428 1.00 0.00 C ATOM 561 O GLY A 33 12.266 0.723 15.446 1.00 0.00 O ATOM 0 H GLY A 33 9.774 -2.098 16.008 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.647 0.803 15.970 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.806 -0.259 17.354 1.00 0.00 H new ATOM 565 N SER A 34 12.246 0.026 17.616 1.00 0.00 N ATOM 566 CA SER A 34 13.668 0.261 17.912 1.00 0.00 C ATOM 567 C SER A 34 14.573 -0.506 16.930 1.00 0.00 C ATOM 568 O SER A 34 15.538 0.046 16.382 1.00 0.00 O ATOM 569 CB SER A 34 13.966 -0.165 19.370 1.00 0.00 C ATOM 570 OG SER A 34 15.335 -0.001 19.705 1.00 0.00 O ATOM 0 H SER A 34 11.727 -0.338 18.415 1.00 0.00 H new ATOM 0 HA SER A 34 13.880 1.324 17.795 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.353 0.425 20.052 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.682 -1.208 19.508 1.00 0.00 H new ATOM 0 HG SER A 34 15.480 -0.280 20.633 1.00 0.00 H new ATOM 576 N THR A 35 14.182 -1.758 16.658 1.00 0.00 N ATOM 577 CA THR A 35 14.956 -2.691 15.828 1.00 0.00 C ATOM 578 C THR A 35 15.076 -2.225 14.348 1.00 0.00 C ATOM 579 O THR A 35 15.906 -2.750 13.601 1.00 0.00 O ATOM 580 CB THR A 35 14.327 -4.125 15.905 1.00 0.00 C ATOM 581 OG1 THR A 35 15.204 -5.092 15.305 1.00 0.00 O ATOM 582 CG2 THR A 35 12.937 -4.199 15.232 1.00 0.00 C ATOM 0 H THR A 35 13.312 -2.155 17.011 1.00 0.00 H new ATOM 0 HA THR A 35 15.969 -2.715 16.229 1.00 0.00 H new ATOM 0 HB THR A 35 14.195 -4.352 16.963 1.00 0.00 H new ATOM 0 HG1 THR A 35 15.647 -4.694 14.527 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.547 -5.213 15.314 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.256 -3.507 15.727 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.027 -3.929 14.180 1.00 0.00 H new ATOM 590 N GLU A 36 14.256 -1.235 13.942 1.00 0.00 N ATOM 591 CA GLU A 36 14.252 -0.707 12.567 1.00 0.00 C ATOM 592 C GLU A 36 15.098 0.555 12.425 1.00 0.00 C ATOM 593 O GLU A 36 15.843 0.672 11.440 1.00 0.00 O ATOM 594 CB GLU A 36 12.809 -0.385 12.114 1.00 0.00 C ATOM 595 CG GLU A 36 12.660 0.081 10.646 1.00 0.00 C ATOM 596 CD GLU A 36 13.018 -1.006 9.609 1.00 0.00 C ATOM 597 OE1 GLU A 36 12.129 -1.801 9.243 1.00 0.00 O ATOM 598 OE2 GLU A 36 14.187 -1.074 9.158 1.00 0.00 O ATOM 0 H GLU A 36 13.581 -0.782 14.557 1.00 0.00 H new ATOM 0 HA GLU A 36 14.684 -1.485 11.938 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.194 -1.274 12.259 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.407 0.391 12.766 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.633 0.405 10.480 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.298 0.950 10.483 1.00 0.00 H new ATOM 605 N ASP A 37 14.996 1.471 13.429 1.00 0.00 N ATOM 606 CA ASP A 37 15.322 2.906 13.228 1.00 0.00 C ATOM 607 C ASP A 37 16.706 3.123 12.579 1.00 0.00 C ATOM 608 O ASP A 37 17.740 2.713 13.110 1.00 0.00 O ATOM 609 CB ASP A 37 15.127 3.758 14.515 1.00 0.00 C ATOM 610 CG ASP A 37 15.844 3.258 15.783 1.00 0.00 C ATOM 611 OD1 ASP A 37 17.095 3.195 15.805 1.00 0.00 O ATOM 612 OD2 ASP A 37 15.159 2.973 16.787 1.00 0.00 O ATOM 0 H ASP A 37 14.693 1.241 14.375 1.00 0.00 H new ATOM 0 HA ASP A 37 14.591 3.275 12.509 1.00 0.00 H new ATOM 0 HB2 ASP A 37 15.467 4.773 14.308 1.00 0.00 H new ATOM 0 HB3 ASP A 37 14.059 3.817 14.727 1.00 0.00 H new ATOM 617 N THR A 38 16.681 3.754 11.397 1.00 0.00 N ATOM 618 CA THR A 38 17.823 3.849 10.487 1.00 0.00 C ATOM 619 C THR A 38 17.957 5.292 9.974 1.00 0.00 C ATOM 620 O THR A 38 16.974 6.043 9.934 1.00 0.00 O ATOM 621 CB THR A 38 17.636 2.846 9.303 1.00 0.00 C ATOM 622 OG1 THR A 38 18.774 2.874 8.437 1.00 0.00 O ATOM 623 CG2 THR A 38 16.351 3.119 8.495 1.00 0.00 C ATOM 0 H THR A 38 15.847 4.222 11.042 1.00 0.00 H new ATOM 0 HA THR A 38 18.739 3.587 11.016 1.00 0.00 H new ATOM 0 HB THR A 38 17.539 1.854 9.743 1.00 0.00 H new ATOM 0 HG1 THR A 38 18.642 2.239 7.702 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.270 2.394 7.685 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.484 3.030 9.150 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.390 4.126 8.079 1.00 0.00 H new ATOM 631 N TRP A 39 19.174 5.675 9.582 1.00 0.00 N ATOM 632 CA TRP A 39 19.512 7.072 9.260 1.00 0.00 C ATOM 633 C TRP A 39 19.159 7.414 7.799 1.00 0.00 C ATOM 634 O TRP A 39 19.927 7.119 6.870 1.00 0.00 O ATOM 635 CB TRP A 39 21.005 7.317 9.561 1.00 0.00 C ATOM 636 CG TRP A 39 21.359 7.121 11.015 1.00 0.00 C ATOM 637 CD1 TRP A 39 21.129 7.991 12.041 1.00 0.00 C ATOM 638 CD2 TRP A 39 21.986 5.972 11.598 1.00 0.00 C ATOM 639 NE1 TRP A 39 21.591 7.461 13.218 1.00 0.00 N ATOM 640 CE2 TRP A 39 22.119 6.223 12.973 1.00 0.00 C ATOM 641 CE3 TRP A 39 22.458 4.761 11.083 1.00 0.00 C ATOM 642 CZ2 TRP A 39 22.694 5.303 13.845 1.00 0.00 C ATOM 643 CZ3 TRP A 39 23.028 3.848 11.948 1.00 0.00 C ATOM 644 CH2 TRP A 39 23.144 4.123 13.316 1.00 0.00 C ATOM 0 H TRP A 39 19.956 5.029 9.477 1.00 0.00 H new ATOM 0 HA TRP A 39 18.916 7.737 9.885 1.00 0.00 H new ATOM 0 HB2 TRP A 39 21.607 6.642 8.953 1.00 0.00 H new ATOM 0 HB3 TRP A 39 21.267 8.332 9.264 1.00 0.00 H new ATOM 0 HD1 TRP A 39 20.653 8.955 11.941 1.00 0.00 H new ATOM 0 HE1 TRP A 39 21.548 7.916 14.130 1.00 0.00 H new ATOM 0 HE3 TRP A 39 22.378 4.544 10.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 22.782 5.512 14.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 23.390 2.906 11.563 1.00 0.00 H new ATOM 0 HH2 TRP A 39 23.597 3.390 13.967 1.00 0.00 H new ATOM 655 N GLU A 40 17.966 7.996 7.617 1.00 0.00 N ATOM 656 CA GLU A 40 17.471 8.484 6.322 1.00 0.00 C ATOM 657 C GLU A 40 17.880 9.965 6.139 1.00 0.00 C ATOM 658 O GLU A 40 17.706 10.754 7.071 1.00 0.00 O ATOM 659 CB GLU A 40 15.924 8.331 6.279 1.00 0.00 C ATOM 660 CG GLU A 40 15.413 6.888 6.504 1.00 0.00 C ATOM 661 CD GLU A 40 15.871 5.898 5.416 1.00 0.00 C ATOM 662 OE1 GLU A 40 15.234 5.846 4.342 1.00 0.00 O ATOM 663 OE2 GLU A 40 16.878 5.178 5.622 1.00 0.00 O ATOM 0 H GLU A 40 17.305 8.144 8.380 1.00 0.00 H new ATOM 0 HA GLU A 40 17.906 7.902 5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.487 8.980 7.038 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.564 8.683 5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 40 15.761 6.535 7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 40 14.324 6.898 6.540 1.00 0.00 H new ATOM 670 N PRO A 41 18.420 10.372 4.944 1.00 0.00 N ATOM 671 CA PRO A 41 18.911 11.756 4.713 1.00 0.00 C ATOM 672 C PRO A 41 17.755 12.772 4.736 1.00 0.00 C ATOM 673 O PRO A 41 16.650 12.446 4.309 1.00 0.00 O ATOM 674 CB PRO A 41 19.577 11.670 3.316 1.00 0.00 C ATOM 675 CG PRO A 41 18.881 10.538 2.632 1.00 0.00 C ATOM 676 CD PRO A 41 18.560 9.538 3.721 1.00 0.00 C ATOM 0 HA PRO A 41 19.599 12.101 5.485 1.00 0.00 H new ATOM 0 HB2 PRO A 41 19.457 12.601 2.762 1.00 0.00 H new ATOM 0 HB3 PRO A 41 20.648 11.484 3.399 1.00 0.00 H new ATOM 0 HG2 PRO A 41 17.974 10.880 2.134 1.00 0.00 H new ATOM 0 HG3 PRO A 41 19.516 10.093 1.866 1.00 0.00 H new ATOM 0 HD2 PRO A 41 17.642 8.991 3.503 1.00 0.00 H new ATOM 0 HD3 PRO A 41 19.353 8.799 3.831 1.00 0.00 H new ATOM 684 N GLU A 42 18.045 13.998 5.212 1.00 0.00 N ATOM 685 CA GLU A 42 17.025 15.053 5.452 1.00 0.00 C ATOM 686 C GLU A 42 16.207 15.384 4.197 1.00 0.00 C ATOM 687 O GLU A 42 14.989 15.424 4.252 1.00 0.00 O ATOM 688 CB GLU A 42 17.703 16.327 6.027 1.00 0.00 C ATOM 689 CG GLU A 42 16.814 17.592 6.222 1.00 0.00 C ATOM 690 CD GLU A 42 16.719 18.509 4.978 1.00 0.00 C ATOM 691 OE1 GLU A 42 17.733 19.142 4.617 1.00 0.00 O ATOM 692 OE2 GLU A 42 15.638 18.592 4.354 1.00 0.00 O ATOM 0 H GLU A 42 18.994 14.292 5.444 1.00 0.00 H new ATOM 0 HA GLU A 42 16.318 14.661 6.183 1.00 0.00 H new ATOM 0 HB2 GLU A 42 18.137 16.069 6.993 1.00 0.00 H new ATOM 0 HB3 GLU A 42 18.529 16.595 5.368 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.809 17.275 6.501 1.00 0.00 H new ATOM 0 HG3 GLU A 42 17.208 18.172 7.056 1.00 0.00 H new ATOM 699 N HIS A 43 16.871 15.604 3.055 1.00 0.00 N ATOM 700 CA HIS A 43 16.168 16.030 1.823 1.00 0.00 C ATOM 701 C HIS A 43 15.294 14.880 1.251 1.00 0.00 C ATOM 702 O HIS A 43 14.487 15.096 0.342 1.00 0.00 O ATOM 703 CB HIS A 43 17.190 16.554 0.776 1.00 0.00 C ATOM 704 CG HIS A 43 16.618 17.434 -0.317 1.00 0.00 C ATOM 705 ND1 HIS A 43 17.379 17.914 -1.362 1.00 0.00 N ATOM 706 CD2 HIS A 43 15.378 17.954 -0.500 1.00 0.00 C ATOM 707 CE1 HIS A 43 16.635 18.688 -2.131 1.00 0.00 C ATOM 708 NE2 HIS A 43 15.417 18.731 -1.629 1.00 0.00 N ATOM 0 H HIS A 43 17.880 15.498 2.951 1.00 0.00 H new ATOM 0 HA HIS A 43 15.493 16.849 2.072 1.00 0.00 H new ATOM 0 HB2 HIS A 43 17.964 17.114 1.300 1.00 0.00 H new ATOM 0 HB3 HIS A 43 17.677 15.697 0.310 1.00 0.00 H new ATOM 0 HD2 HIS A 43 14.517 17.786 0.130 1.00 0.00 H new ATOM 0 HE1 HIS A 43 16.969 19.200 -3.022 1.00 0.00 H new ATOM 0 HE2 HIS A 43 14.633 19.256 -2.016 1.00 0.00 H new ATOM 717 N HIS A 44 15.450 13.661 1.809 1.00 0.00 N ATOM 718 CA HIS A 44 14.704 12.464 1.376 1.00 0.00 C ATOM 719 C HIS A 44 14.036 11.738 2.564 1.00 0.00 C ATOM 720 O HIS A 44 13.596 10.600 2.401 1.00 0.00 O ATOM 721 CB HIS A 44 15.662 11.490 0.625 1.00 0.00 C ATOM 722 CG HIS A 44 16.309 12.101 -0.594 1.00 0.00 C ATOM 723 ND1 HIS A 44 15.689 12.155 -1.823 1.00 0.00 N ATOM 724 CD2 HIS A 44 17.500 12.729 -0.749 1.00 0.00 C ATOM 725 CE1 HIS A 44 16.464 12.787 -2.680 1.00 0.00 C ATOM 726 NE2 HIS A 44 17.569 13.147 -2.056 1.00 0.00 N ATOM 0 H HIS A 44 16.099 13.480 2.575 1.00 0.00 H new ATOM 0 HA HIS A 44 13.910 12.792 0.705 1.00 0.00 H new ATOM 0 HB2 HIS A 44 16.441 11.158 1.312 1.00 0.00 H new ATOM 0 HB3 HIS A 44 15.103 10.604 0.324 1.00 0.00 H new ATOM 0 HD2 HIS A 44 18.253 12.874 0.012 1.00 0.00 H new ATOM 0 HE1 HIS A 44 16.234 12.978 -3.718 1.00 0.00 H new ATOM 0 HE2 HIS A 44 18.348 13.654 -2.476 1.00 0.00 H new ATOM 735 N LEU A 45 13.938 12.399 3.747 1.00 0.00 N ATOM 736 CA LEU A 45 13.486 11.724 4.996 1.00 0.00 C ATOM 737 C LEU A 45 11.992 11.334 4.921 1.00 0.00 C ATOM 738 O LEU A 45 11.610 10.219 5.289 1.00 0.00 O ATOM 739 CB LEU A 45 13.781 12.589 6.278 1.00 0.00 C ATOM 740 CG LEU A 45 12.708 13.653 6.732 1.00 0.00 C ATOM 741 CD1 LEU A 45 12.998 14.181 8.136 1.00 0.00 C ATOM 742 CD2 LEU A 45 12.560 14.831 5.752 1.00 0.00 C ATOM 0 H LEU A 45 14.163 13.387 3.864 1.00 0.00 H new ATOM 0 HA LEU A 45 14.068 10.807 5.085 1.00 0.00 H new ATOM 0 HB2 LEU A 45 13.941 11.904 7.110 1.00 0.00 H new ATOM 0 HB3 LEU A 45 14.721 13.116 6.113 1.00 0.00 H new ATOM 0 HG LEU A 45 11.759 13.117 6.739 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.238 14.911 8.414 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.984 13.354 8.846 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.979 14.655 8.151 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.806 15.523 6.127 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.514 15.349 5.659 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.254 14.456 4.775 1.00 0.00 H new ATOM 754 N LEU A 46 11.178 12.266 4.402 1.00 0.00 N ATOM 755 CA LEU A 46 9.708 12.175 4.327 1.00 0.00 C ATOM 756 C LEU A 46 9.211 13.032 3.149 1.00 0.00 C ATOM 757 O LEU A 46 9.957 13.861 2.612 1.00 0.00 O ATOM 758 CB LEU A 46 8.996 12.633 5.660 1.00 0.00 C ATOM 759 CG LEU A 46 8.793 11.560 6.790 1.00 0.00 C ATOM 760 CD1 LEU A 46 8.391 10.198 6.212 1.00 0.00 C ATOM 761 CD2 LEU A 46 9.985 11.448 7.772 1.00 0.00 C ATOM 0 H LEU A 46 11.536 13.136 4.008 1.00 0.00 H new ATOM 0 HA LEU A 46 9.451 11.126 4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.572 13.457 6.081 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.016 13.031 5.396 1.00 0.00 H new ATOM 0 HG LEU A 46 7.961 11.923 7.393 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.260 9.483 7.024 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.455 10.298 5.662 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.172 9.844 5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.768 10.687 8.522 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.884 11.170 7.222 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.142 12.408 8.264 1.00 0.00 H new ATOM 773 N HIS A 47 7.935 12.827 2.780 1.00 0.00 N ATOM 774 CA HIS A 47 7.256 13.576 1.698 1.00 0.00 C ATOM 775 C HIS A 47 6.581 14.849 2.248 1.00 0.00 C ATOM 776 O HIS A 47 6.137 15.701 1.470 1.00 0.00 O ATOM 777 CB HIS A 47 6.184 12.678 1.022 1.00 0.00 C ATOM 778 CG HIS A 47 6.724 11.449 0.336 1.00 0.00 C ATOM 779 ND1 HIS A 47 6.713 11.290 -1.031 1.00 0.00 N ATOM 780 CD2 HIS A 47 7.259 10.311 0.835 1.00 0.00 C ATOM 781 CE1 HIS A 47 7.216 10.113 -1.342 1.00 0.00 C ATOM 782 NE2 HIS A 47 7.557 9.496 -0.229 1.00 0.00 N ATOM 0 H HIS A 47 7.337 12.131 3.226 1.00 0.00 H new ATOM 0 HA HIS A 47 8.008 13.867 0.965 1.00 0.00 H new ATOM 0 HB2 HIS A 47 5.463 12.367 1.778 1.00 0.00 H new ATOM 0 HB3 HIS A 47 5.640 13.275 0.290 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.422 10.085 1.878 1.00 0.00 H new ATOM 0 HE1 HIS A 47 7.330 9.720 -2.341 1.00 0.00 H new ATOM 0 HE2 HIS A 47 7.973 8.567 -0.168 1.00 0.00 H new ATOM 791 N CYS A 48 6.498 14.974 3.589 1.00 0.00 N ATOM 792 CA CYS A 48 5.810 16.099 4.256 1.00 0.00 C ATOM 793 C CYS A 48 6.577 16.564 5.504 1.00 0.00 C ATOM 794 O CYS A 48 7.208 15.757 6.196 1.00 0.00 O ATOM 795 CB CYS A 48 4.365 15.697 4.628 1.00 0.00 C ATOM 796 SG CYS A 48 3.321 15.335 3.203 1.00 0.00 S ATOM 0 H CYS A 48 6.905 14.300 4.238 1.00 0.00 H new ATOM 0 HA CYS A 48 5.776 16.935 3.557 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.397 14.821 5.275 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.911 16.503 5.204 1.00 0.00 H new ATOM 0 HG CYS A 48 3.998 15.526 2.110 1.00 0.00 H new ATOM 802 N GLU A 49 6.470 17.878 5.787 1.00 0.00 N ATOM 803 CA GLU A 49 7.127 18.544 6.937 1.00 0.00 C ATOM 804 C GLU A 49 6.484 18.144 8.288 1.00 0.00 C ATOM 805 O GLU A 49 7.068 18.387 9.341 1.00 0.00 O ATOM 806 CB GLU A 49 7.055 20.092 6.752 1.00 0.00 C ATOM 807 CG GLU A 49 7.925 20.933 7.733 1.00 0.00 C ATOM 808 CD GLU A 49 9.408 21.056 7.323 1.00 0.00 C ATOM 809 OE1 GLU A 49 10.063 20.036 7.030 1.00 0.00 O ATOM 810 OE2 GLU A 49 9.927 22.195 7.271 1.00 0.00 O ATOM 0 H GLU A 49 5.917 18.518 5.217 1.00 0.00 H new ATOM 0 HA GLU A 49 8.167 18.217 6.962 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.356 20.332 5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.016 20.404 6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.498 21.933 7.812 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.871 20.484 8.725 1.00 0.00 H new ATOM 817 N GLU A 50 5.294 17.519 8.224 1.00 0.00 N ATOM 818 CA GLU A 50 4.465 17.164 9.408 1.00 0.00 C ATOM 819 C GLU A 50 5.262 16.327 10.417 1.00 0.00 C ATOM 820 O GLU A 50 5.256 16.592 11.619 1.00 0.00 O ATOM 821 CB GLU A 50 3.193 16.375 8.967 1.00 0.00 C ATOM 822 CG GLU A 50 2.517 16.884 7.677 1.00 0.00 C ATOM 823 CD GLU A 50 2.181 18.385 7.687 1.00 0.00 C ATOM 824 OE1 GLU A 50 1.147 18.768 8.268 1.00 0.00 O ATOM 825 OE2 GLU A 50 2.953 19.192 7.112 1.00 0.00 O ATOM 0 H GLU A 50 4.869 17.239 7.340 1.00 0.00 H new ATOM 0 HA GLU A 50 4.166 18.095 9.890 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.465 15.329 8.827 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.465 16.409 9.777 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.172 16.676 6.831 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.599 16.319 7.515 1.00 0.00 H new ATOM 832 N PHE A 51 5.980 15.340 9.883 1.00 0.00 N ATOM 833 CA PHE A 51 6.811 14.426 10.676 1.00 0.00 C ATOM 834 C PHE A 51 7.999 15.174 11.325 1.00 0.00 C ATOM 835 O PHE A 51 8.351 14.920 12.477 1.00 0.00 O ATOM 836 CB PHE A 51 7.304 13.265 9.790 1.00 0.00 C ATOM 837 CG PHE A 51 6.175 12.441 9.159 1.00 0.00 C ATOM 838 CD1 PHE A 51 5.581 12.838 7.956 1.00 0.00 C ATOM 839 CD2 PHE A 51 5.713 11.275 9.763 1.00 0.00 C ATOM 840 CE1 PHE A 51 4.569 12.095 7.387 1.00 0.00 C ATOM 841 CE2 PHE A 51 4.698 10.534 9.193 1.00 0.00 C ATOM 842 CZ PHE A 51 4.126 10.941 8.006 1.00 0.00 C ATOM 0 H PHE A 51 6.004 15.148 8.881 1.00 0.00 H new ATOM 0 HA PHE A 51 6.205 14.016 11.484 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.933 13.668 8.997 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.931 12.605 10.389 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.920 13.739 7.467 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.155 10.945 10.691 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.122 12.415 6.457 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.351 9.633 9.678 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.333 10.359 7.561 1.00 0.00 H new ATOM 852 N ILE A 52 8.564 16.153 10.602 1.00 0.00 N ATOM 853 CA ILE A 52 9.664 17.006 11.114 1.00 0.00 C ATOM 854 C ILE A 52 9.122 17.835 12.295 1.00 0.00 C ATOM 855 O ILE A 52 9.760 17.942 13.355 1.00 0.00 O ATOM 856 CB ILE A 52 10.257 17.964 9.999 1.00 0.00 C ATOM 857 CG1 ILE A 52 10.935 17.158 8.839 1.00 0.00 C ATOM 858 CG2 ILE A 52 11.258 18.993 10.590 1.00 0.00 C ATOM 859 CD1 ILE A 52 10.003 16.331 7.966 1.00 0.00 C ATOM 0 H ILE A 52 8.278 16.380 9.650 1.00 0.00 H new ATOM 0 HA ILE A 52 10.482 16.361 11.435 1.00 0.00 H new ATOM 0 HB ILE A 52 9.411 18.513 9.585 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.470 17.860 8.200 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.680 16.491 9.274 1.00 0.00 H new ATOM 0 HG21 ILE A 52 11.640 19.629 9.791 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.751 19.608 11.333 1.00 0.00 H new ATOM 0 HG23 ILE A 52 12.087 18.465 11.061 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.583 15.818 7.199 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.485 15.596 8.582 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.272 16.986 7.491 1.00 0.00 H new ATOM 871 N ASP A 53 7.867 18.294 12.127 1.00 0.00 N ATOM 872 CA ASP A 53 7.154 19.092 13.122 1.00 0.00 C ATOM 873 C ASP A 53 6.939 18.255 14.397 1.00 0.00 C ATOM 874 O ASP A 53 7.259 18.711 15.523 1.00 0.00 O ATOM 875 CB ASP A 53 5.806 19.594 12.518 1.00 0.00 C ATOM 876 CG ASP A 53 4.804 20.121 13.560 1.00 0.00 C ATOM 877 OD1 ASP A 53 5.051 21.192 14.153 1.00 0.00 O ATOM 878 OD2 ASP A 53 3.772 19.454 13.811 1.00 0.00 O ATOM 0 H ASP A 53 7.321 18.115 11.285 1.00 0.00 H new ATOM 0 HA ASP A 53 7.742 19.968 13.396 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.016 20.386 11.799 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.342 18.777 11.965 1.00 0.00 H new ATOM 883 N GLU A 54 6.541 16.970 14.200 1.00 0.00 N ATOM 884 CA GLU A 54 6.210 16.088 15.320 1.00 0.00 C ATOM 885 C GLU A 54 7.493 15.726 16.067 1.00 0.00 C ATOM 886 O GLU A 54 7.465 15.550 17.281 1.00 0.00 O ATOM 887 CB GLU A 54 5.436 14.807 14.891 1.00 0.00 C ATOM 888 CG GLU A 54 6.302 13.665 14.330 1.00 0.00 C ATOM 889 CD GLU A 54 5.526 12.377 14.084 1.00 0.00 C ATOM 890 OE1 GLU A 54 5.170 11.712 15.071 1.00 0.00 O ATOM 891 OE2 GLU A 54 5.259 12.030 12.917 1.00 0.00 O ATOM 0 H GLU A 54 6.446 16.538 13.281 1.00 0.00 H new ATOM 0 HA GLU A 54 5.532 16.633 15.978 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.885 14.431 15.753 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.699 15.084 14.137 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.756 13.990 13.394 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.116 13.462 15.026 1.00 0.00 H new ATOM 898 N PHE A 55 8.629 15.702 15.318 1.00 0.00 N ATOM 899 CA PHE A 55 9.954 15.414 15.872 1.00 0.00 C ATOM 900 C PHE A 55 10.306 16.456 16.937 1.00 0.00 C ATOM 901 O PHE A 55 10.720 16.095 18.048 1.00 0.00 O ATOM 902 CB PHE A 55 11.029 15.371 14.753 1.00 0.00 C ATOM 903 CG PHE A 55 12.467 15.330 15.269 1.00 0.00 C ATOM 904 CD1 PHE A 55 12.920 14.253 16.023 1.00 0.00 C ATOM 905 CD2 PHE A 55 13.354 16.381 15.020 1.00 0.00 C ATOM 906 CE1 PHE A 55 14.204 14.226 16.511 1.00 0.00 C ATOM 907 CE2 PHE A 55 14.644 16.348 15.510 1.00 0.00 C ATOM 908 CZ PHE A 55 15.066 15.267 16.256 1.00 0.00 C ATOM 0 H PHE A 55 8.637 15.884 14.314 1.00 0.00 H new ATOM 0 HA PHE A 55 9.933 14.430 16.340 1.00 0.00 H new ATOM 0 HB2 PHE A 55 10.853 14.495 14.129 1.00 0.00 H new ATOM 0 HB3 PHE A 55 10.908 16.246 14.115 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.254 13.428 16.228 1.00 0.00 H new ATOM 0 HD2 PHE A 55 13.026 17.229 14.437 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.538 13.383 17.098 1.00 0.00 H new ATOM 0 HE2 PHE A 55 15.321 17.166 15.310 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.075 15.238 16.640 1.00 0.00 H new ATOM 918 N ASN A 56 10.053 17.737 16.609 1.00 0.00 N ATOM 919 CA ASN A 56 10.313 18.868 17.525 1.00 0.00 C ATOM 920 C ASN A 56 9.496 18.704 18.821 1.00 0.00 C ATOM 921 O ASN A 56 9.967 19.044 19.918 1.00 0.00 O ATOM 922 CB ASN A 56 9.977 20.204 16.820 1.00 0.00 C ATOM 923 CG ASN A 56 10.167 21.453 17.693 1.00 0.00 C ATOM 924 OD1 ASN A 56 11.271 21.976 17.817 1.00 0.00 O ATOM 925 ND2 ASN A 56 9.093 21.944 18.289 1.00 0.00 N ATOM 0 H ASN A 56 9.665 18.018 15.708 1.00 0.00 H new ATOM 0 HA ASN A 56 11.370 18.877 17.793 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.603 20.299 15.932 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.942 20.169 16.479 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.169 22.779 18.870 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.189 21.488 18.167 1.00 0.00 H new ATOM 932 N GLY A 57 8.290 18.127 18.675 1.00 0.00 N ATOM 933 CA GLY A 57 7.416 17.862 19.812 1.00 0.00 C ATOM 934 C GLY A 57 7.812 16.631 20.633 1.00 0.00 C ATOM 935 O GLY A 57 7.773 16.678 21.868 1.00 0.00 O ATOM 0 H GLY A 57 7.906 17.838 17.776 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.413 18.735 20.465 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.396 17.731 19.450 1.00 0.00 H new ATOM 939 N LEU A 58 8.238 15.538 19.956 1.00 0.00 N ATOM 940 CA LEU A 58 8.382 14.203 20.603 1.00 0.00 C ATOM 941 C LEU A 58 9.770 14.013 21.224 1.00 0.00 C ATOM 942 O LEU A 58 9.954 13.147 22.086 1.00 0.00 O ATOM 943 CB LEU A 58 8.055 13.043 19.596 1.00 0.00 C ATOM 944 CG LEU A 58 9.015 12.827 18.357 1.00 0.00 C ATOM 945 CD1 LEU A 58 10.280 11.991 18.685 1.00 0.00 C ATOM 946 CD2 LEU A 58 8.257 12.206 17.164 1.00 0.00 C ATOM 0 H LEU A 58 8.488 15.549 18.967 1.00 0.00 H new ATOM 0 HA LEU A 58 7.655 14.163 21.414 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.028 12.111 20.161 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.049 13.212 19.211 1.00 0.00 H new ATOM 0 HG LEU A 58 9.364 13.822 18.083 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.889 11.885 17.787 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.859 12.495 19.459 1.00 0.00 H new ATOM 0 HD13 LEU A 58 9.982 11.004 19.040 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.943 12.070 16.328 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.846 11.240 17.457 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.446 12.869 16.863 1.00 0.00 H new ATOM 958 N HIS A 59 10.755 14.799 20.760 1.00 0.00 N ATOM 959 CA HIS A 59 12.161 14.616 21.156 1.00 0.00 C ATOM 960 C HIS A 59 12.516 15.501 22.366 1.00 0.00 C ATOM 961 O HIS A 59 13.530 15.275 23.032 1.00 0.00 O ATOM 962 CB HIS A 59 13.090 14.902 19.945 1.00 0.00 C ATOM 963 CG HIS A 59 14.420 14.211 20.055 1.00 0.00 C ATOM 964 ND1 HIS A 59 14.565 12.862 19.805 1.00 0.00 N ATOM 965 CD2 HIS A 59 15.641 14.655 20.432 1.00 0.00 C ATOM 966 CE1 HIS A 59 15.807 12.512 20.031 1.00 0.00 C ATOM 967 NE2 HIS A 59 16.484 13.577 20.408 1.00 0.00 N ATOM 0 H HIS A 59 10.603 15.569 20.109 1.00 0.00 H new ATOM 0 HA HIS A 59 12.309 13.581 21.465 1.00 0.00 H new ATOM 0 HB2 HIS A 59 12.594 14.582 19.029 1.00 0.00 H new ATOM 0 HB3 HIS A 59 13.250 15.977 19.862 1.00 0.00 H new ATOM 0 HD1 HIS A 59 13.822 12.236 19.493 1.00 0.00 H new ATOM 0 HD2 HIS A 59 15.901 15.668 20.701 1.00 0.00 H new ATOM 0 HE1 HIS A 59 16.209 11.515 19.926 1.00 0.00 H new