USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=11 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+ -113:sc= 1.1 (180deg=-0.0238) USER MOD Single : A 18 ASN : amide:sc= -0.316 K(o=-0.32,f=-4.9!) USER MOD Single : A 19 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00554) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.055) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0267 USER MOD Single : A 35 THR OG1 : rot -31:sc= 0.0359 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 HIS : no HE2:sc= 0.167 K(o=0.17,f=-0.62) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 50 N LEU A 6 10.844 4.089 1.736 1.00 0.00 N ATOM 51 CA LEU A 6 9.816 4.523 2.684 1.00 0.00 C ATOM 52 C LEU A 6 8.574 3.662 2.454 1.00 0.00 C ATOM 53 O LEU A 6 7.651 4.045 1.715 1.00 0.00 O ATOM 54 CB LEU A 6 9.514 6.036 2.502 1.00 0.00 C ATOM 55 CG LEU A 6 10.754 6.976 2.524 1.00 0.00 C ATOM 56 CD1 LEU A 6 10.344 8.429 2.178 1.00 0.00 C ATOM 57 CD2 LEU A 6 11.515 6.879 3.879 1.00 0.00 C ATOM 0 HA LEU A 6 10.158 4.395 3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.993 6.173 1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.829 6.349 3.290 1.00 0.00 H new ATOM 0 HG LEU A 6 11.451 6.645 1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.225 9.070 2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.900 8.455 1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.618 8.786 2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.376 7.548 3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.848 7.166 4.692 1.00 0.00 H new ATOM 0 HD23 LEU A 6 11.855 5.855 4.033 1.00 0.00 H new ATOM 69 N TYR A 7 8.657 2.434 2.990 1.00 0.00 N ATOM 70 CA TYR A 7 7.536 1.477 3.056 1.00 0.00 C ATOM 71 C TYR A 7 6.292 2.182 3.642 1.00 0.00 C ATOM 72 O TYR A 7 5.333 2.476 2.931 1.00 0.00 O ATOM 73 CB TYR A 7 7.939 0.267 3.949 1.00 0.00 C ATOM 74 CG TYR A 7 9.110 -0.578 3.428 1.00 0.00 C ATOM 75 CD1 TYR A 7 10.433 -0.217 3.698 1.00 0.00 C ATOM 76 CD2 TYR A 7 8.898 -1.738 2.677 1.00 0.00 C ATOM 77 CE1 TYR A 7 11.490 -0.972 3.238 1.00 0.00 C ATOM 78 CE2 TYR A 7 9.956 -2.497 2.218 1.00 0.00 C ATOM 79 CZ TYR A 7 11.247 -2.111 2.501 1.00 0.00 C ATOM 80 OH TYR A 7 12.301 -2.868 2.041 1.00 0.00 O ATOM 0 H TYR A 7 9.519 2.070 3.397 1.00 0.00 H new ATOM 0 HA TYR A 7 7.301 1.116 2.055 1.00 0.00 H new ATOM 0 HB2 TYR A 7 8.195 0.639 4.941 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.070 -0.381 4.066 1.00 0.00 H new ATOM 0 HD1 TYR A 7 10.631 0.672 4.279 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.888 -2.046 2.452 1.00 0.00 H new ATOM 0 HE1 TYR A 7 12.505 -0.672 3.454 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.772 -3.390 1.639 1.00 0.00 H new ATOM 0 HH TYR A 7 11.957 -3.637 1.540 1.00 0.00 H new ATOM 90 N GLU A 8 6.372 2.461 4.946 1.00 0.00 N ATOM 91 CA GLU A 8 5.450 3.320 5.687 1.00 0.00 C ATOM 92 C GLU A 8 6.208 3.781 6.921 1.00 0.00 C ATOM 93 O GLU A 8 6.573 2.936 7.720 1.00 0.00 O ATOM 94 CB GLU A 8 4.158 2.560 6.103 1.00 0.00 C ATOM 95 CG GLU A 8 3.229 3.368 7.036 1.00 0.00 C ATOM 96 CD GLU A 8 1.957 2.615 7.457 1.00 0.00 C ATOM 97 OE1 GLU A 8 1.294 2.015 6.588 1.00 0.00 O ATOM 98 OE2 GLU A 8 1.599 2.634 8.651 1.00 0.00 O ATOM 0 H GLU A 8 7.111 2.078 5.536 1.00 0.00 H new ATOM 0 HA GLU A 8 5.127 4.156 5.067 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.605 2.285 5.205 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.439 1.632 6.601 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.785 3.650 7.930 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.942 4.292 6.535 1.00 0.00 H new ATOM 105 N VAL A 9 6.480 5.083 7.067 1.00 0.00 N ATOM 106 CA VAL A 9 7.178 5.591 8.265 1.00 0.00 C ATOM 107 C VAL A 9 6.232 5.539 9.483 1.00 0.00 C ATOM 108 O VAL A 9 5.037 5.838 9.362 1.00 0.00 O ATOM 109 CB VAL A 9 7.741 7.055 8.064 1.00 0.00 C ATOM 110 CG1 VAL A 9 8.732 7.104 6.868 1.00 0.00 C ATOM 111 CG2 VAL A 9 6.607 8.100 7.902 1.00 0.00 C ATOM 0 H VAL A 9 6.234 5.799 6.384 1.00 0.00 H new ATOM 0 HA VAL A 9 8.038 4.945 8.441 1.00 0.00 H new ATOM 0 HB VAL A 9 8.286 7.322 8.969 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.107 8.120 6.748 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.567 6.429 7.059 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.218 6.797 5.957 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.042 9.090 7.767 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.001 7.848 7.032 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.980 8.098 8.794 1.00 0.00 H new ATOM 121 N GLU A 10 6.751 5.092 10.638 1.00 0.00 N ATOM 122 CA GLU A 10 6.022 5.178 11.899 1.00 0.00 C ATOM 123 C GLU A 10 6.145 6.622 12.419 1.00 0.00 C ATOM 124 O GLU A 10 5.129 7.311 12.574 1.00 0.00 O ATOM 125 CB GLU A 10 6.558 4.131 12.915 1.00 0.00 C ATOM 126 CG GLU A 10 5.735 4.035 14.212 1.00 0.00 C ATOM 127 CD GLU A 10 6.107 2.816 15.085 1.00 0.00 C ATOM 128 OE1 GLU A 10 5.655 1.692 14.783 1.00 0.00 O ATOM 129 OE2 GLU A 10 6.858 2.977 16.064 1.00 0.00 O ATOM 0 H GLU A 10 7.675 4.668 10.717 1.00 0.00 H new ATOM 0 HA GLU A 10 4.967 4.944 11.754 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.576 3.152 12.436 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.588 4.381 13.169 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.878 4.946 14.793 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.676 3.982 13.959 1.00 0.00 H new ATOM 136 N ARG A 11 7.410 7.084 12.602 1.00 0.00 N ATOM 137 CA ARG A 11 7.722 8.486 12.983 1.00 0.00 C ATOM 138 C ARG A 11 9.245 8.692 13.081 1.00 0.00 C ATOM 139 O ARG A 11 10.023 7.749 12.888 1.00 0.00 O ATOM 140 CB ARG A 11 7.004 8.894 14.317 1.00 0.00 C ATOM 141 CG ARG A 11 7.637 8.363 15.624 1.00 0.00 C ATOM 142 CD ARG A 11 6.630 8.292 16.807 1.00 0.00 C ATOM 143 NE ARG A 11 5.549 9.307 16.718 1.00 0.00 N ATOM 144 CZ ARG A 11 4.268 9.108 17.091 1.00 0.00 C ATOM 145 NH1 ARG A 11 3.903 7.992 17.711 1.00 0.00 N ATOM 146 NH2 ARG A 11 3.365 10.031 16.823 1.00 0.00 N ATOM 0 H ARG A 11 8.237 6.498 12.490 1.00 0.00 H new ATOM 0 HA ARG A 11 7.339 9.141 12.200 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.972 9.982 14.370 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.972 8.546 14.271 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.047 7.369 15.444 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.471 9.006 15.904 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.184 7.298 16.837 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.170 8.427 17.744 1.00 0.00 H new ATOM 0 HE ARG A 11 5.794 10.225 16.346 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.595 7.270 17.912 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.930 7.856 17.987 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.638 10.886 16.338 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.394 9.890 17.101 1.00 0.00 H new ATOM 160 N ILE A 12 9.661 9.941 13.361 1.00 0.00 N ATOM 161 CA ILE A 12 11.077 10.279 13.575 1.00 0.00 C ATOM 162 C ILE A 12 11.506 9.909 15.008 1.00 0.00 C ATOM 163 O ILE A 12 10.845 10.282 15.981 1.00 0.00 O ATOM 164 CB ILE A 12 11.371 11.804 13.327 1.00 0.00 C ATOM 165 CG1 ILE A 12 10.851 12.248 11.920 1.00 0.00 C ATOM 166 CG2 ILE A 12 12.888 12.111 13.491 1.00 0.00 C ATOM 167 CD1 ILE A 12 11.343 13.609 11.459 1.00 0.00 C ATOM 0 H ILE A 12 9.029 10.737 13.444 1.00 0.00 H new ATOM 0 HA ILE A 12 11.651 9.701 12.851 1.00 0.00 H new ATOM 0 HB ILE A 12 10.833 12.381 14.079 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.151 11.501 11.185 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.761 12.258 11.938 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.066 13.172 13.315 1.00 0.00 H new ATOM 0 HG22 ILE A 12 13.204 11.853 14.502 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.458 11.523 12.772 1.00 0.00 H new ATOM 0 HD11 ILE A 12 10.931 13.831 10.475 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.020 14.372 12.168 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.432 13.603 11.403 1.00 0.00 H new ATOM 179 N VAL A 13 12.610 9.165 15.091 1.00 0.00 N ATOM 180 CA VAL A 13 13.274 8.771 16.343 1.00 0.00 C ATOM 181 C VAL A 13 14.142 9.932 16.869 1.00 0.00 C ATOM 182 O VAL A 13 13.993 10.384 18.015 1.00 0.00 O ATOM 183 CB VAL A 13 14.196 7.510 16.075 1.00 0.00 C ATOM 184 CG1 VAL A 13 15.028 7.097 17.312 1.00 0.00 C ATOM 185 CG2 VAL A 13 13.377 6.325 15.528 1.00 0.00 C ATOM 0 H VAL A 13 13.086 8.806 14.263 1.00 0.00 H new ATOM 0 HA VAL A 13 12.516 8.525 17.086 1.00 0.00 H new ATOM 0 HB VAL A 13 14.913 7.810 15.310 1.00 0.00 H new ATOM 0 HG11 VAL A 13 15.639 6.228 17.066 1.00 0.00 H new ATOM 0 HG12 VAL A 13 15.675 7.923 17.608 1.00 0.00 H new ATOM 0 HG13 VAL A 13 14.358 6.848 18.135 1.00 0.00 H new ATOM 0 HG21 VAL A 13 14.038 5.476 15.354 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.611 6.047 16.252 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.902 6.613 14.590 1.00 0.00 H new ATOM 195 N ASP A 14 15.016 10.420 15.977 1.00 0.00 N ATOM 196 CA ASP A 14 16.144 11.309 16.310 1.00 0.00 C ATOM 197 C ASP A 14 16.622 11.996 15.010 1.00 0.00 C ATOM 198 O ASP A 14 16.044 11.773 13.945 1.00 0.00 O ATOM 199 CB ASP A 14 17.280 10.459 16.990 1.00 0.00 C ATOM 200 CG ASP A 14 18.542 11.247 17.415 1.00 0.00 C ATOM 201 OD1 ASP A 14 18.401 12.327 18.025 1.00 0.00 O ATOM 202 OD2 ASP A 14 19.666 10.809 17.110 1.00 0.00 O ATOM 0 H ASP A 14 14.959 10.204 14.982 1.00 0.00 H new ATOM 0 HA ASP A 14 15.848 12.086 17.015 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.865 9.970 17.871 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.581 9.670 16.300 1.00 0.00 H new ATOM 207 N LYS A 15 17.624 12.870 15.105 1.00 0.00 N ATOM 208 CA LYS A 15 18.358 13.385 13.937 1.00 0.00 C ATOM 209 C LYS A 15 19.851 13.459 14.278 1.00 0.00 C ATOM 210 O LYS A 15 20.230 13.390 15.453 1.00 0.00 O ATOM 211 CB LYS A 15 17.782 14.769 13.473 1.00 0.00 C ATOM 212 CG LYS A 15 18.017 15.973 14.427 1.00 0.00 C ATOM 213 CD LYS A 15 19.375 16.691 14.211 1.00 0.00 C ATOM 214 CE LYS A 15 19.722 17.638 15.370 1.00 0.00 C ATOM 215 NZ LYS A 15 21.070 18.236 15.220 1.00 0.00 N ATOM 0 H LYS A 15 17.954 13.245 15.994 1.00 0.00 H new ATOM 0 HA LYS A 15 18.231 12.705 13.094 1.00 0.00 H new ATOM 0 HB2 LYS A 15 18.217 15.012 12.504 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.708 14.658 13.322 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.211 16.694 14.292 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.962 15.623 15.458 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.164 15.947 14.103 1.00 0.00 H new ATOM 0 HD3 LYS A 15 19.341 17.257 13.280 1.00 0.00 H new ATOM 0 HE2 LYS A 15 18.978 18.433 15.423 1.00 0.00 H new ATOM 0 HE3 LYS A 15 19.672 17.091 16.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.261 18.867 16.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 21.784 17.480 15.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 21.112 18.780 14.335 1.00 0.00 H new ATOM 229 N ARG A 16 20.679 13.627 13.244 1.00 0.00 N ATOM 230 CA ARG A 16 22.134 13.815 13.383 1.00 0.00 C ATOM 231 C ARG A 16 22.695 14.411 12.086 1.00 0.00 C ATOM 232 O ARG A 16 21.999 14.454 11.059 1.00 0.00 O ATOM 233 CB ARG A 16 22.816 12.465 13.746 1.00 0.00 C ATOM 234 CG ARG A 16 22.818 11.379 12.620 1.00 0.00 C ATOM 235 CD ARG A 16 24.193 11.218 11.937 1.00 0.00 C ATOM 236 NE ARG A 16 24.149 10.316 10.769 1.00 0.00 N ATOM 237 CZ ARG A 16 24.294 8.988 10.807 1.00 0.00 C ATOM 238 NH1 ARG A 16 24.352 8.338 11.960 1.00 0.00 N ATOM 239 NH2 ARG A 16 24.360 8.313 9.673 1.00 0.00 N ATOM 0 H ARG A 16 20.360 13.637 12.275 1.00 0.00 H new ATOM 0 HA ARG A 16 22.344 14.512 14.194 1.00 0.00 H new ATOM 0 HB2 ARG A 16 23.848 12.666 14.032 1.00 0.00 H new ATOM 0 HB3 ARG A 16 22.317 12.052 14.623 1.00 0.00 H new ATOM 0 HG2 ARG A 16 22.516 10.422 13.046 1.00 0.00 H new ATOM 0 HG3 ARG A 16 22.074 11.642 11.868 1.00 0.00 H new ATOM 0 HD2 ARG A 16 24.554 12.197 11.621 1.00 0.00 H new ATOM 0 HD3 ARG A 16 24.911 10.833 12.661 1.00 0.00 H new ATOM 0 HE ARG A 16 23.995 10.743 9.855 1.00 0.00 H new ATOM 0 HH11 ARG A 16 24.286 8.851 12.839 1.00 0.00 H new ATOM 0 HH12 ARG A 16 24.463 7.324 11.969 1.00 0.00 H new ATOM 0 HH21 ARG A 16 24.300 8.806 8.782 1.00 0.00 H new ATOM 0 HH22 ARG A 16 24.471 7.299 9.689 1.00 0.00 H new ATOM 253 N LYS A 17 23.944 14.888 12.124 1.00 0.00 N ATOM 254 CA LYS A 17 24.617 15.427 10.936 1.00 0.00 C ATOM 255 C LYS A 17 25.357 14.286 10.209 1.00 0.00 C ATOM 256 O LYS A 17 26.122 13.540 10.823 1.00 0.00 O ATOM 257 CB LYS A 17 25.594 16.609 11.289 1.00 0.00 C ATOM 258 CG LYS A 17 25.608 17.792 10.265 1.00 0.00 C ATOM 259 CD LYS A 17 24.528 18.887 10.525 1.00 0.00 C ATOM 260 CE LYS A 17 23.078 18.410 10.306 1.00 0.00 C ATOM 261 NZ LYS A 17 22.087 19.433 10.688 1.00 0.00 N ATOM 0 H LYS A 17 24.513 14.912 12.970 1.00 0.00 H new ATOM 0 HA LYS A 17 23.860 15.847 10.273 1.00 0.00 H new ATOM 0 HB2 LYS A 17 25.324 17.002 12.269 1.00 0.00 H new ATOM 0 HB3 LYS A 17 26.605 16.210 11.373 1.00 0.00 H new ATOM 0 HG2 LYS A 17 26.592 18.259 10.283 1.00 0.00 H new ATOM 0 HG3 LYS A 17 25.465 17.389 9.262 1.00 0.00 H new ATOM 0 HD2 LYS A 17 24.630 19.246 11.549 1.00 0.00 H new ATOM 0 HD3 LYS A 17 24.722 19.736 9.869 1.00 0.00 H new ATOM 0 HE2 LYS A 17 22.939 18.147 9.257 1.00 0.00 H new ATOM 0 HE3 LYS A 17 22.904 17.505 10.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 21.552 19.106 11.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 22.576 20.321 10.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 21.432 19.595 9.896 1.00 0.00 H new ATOM 275 N ASN A 18 25.079 14.158 8.903 1.00 0.00 N ATOM 276 CA ASN A 18 25.781 13.250 7.963 1.00 0.00 C ATOM 277 C ASN A 18 27.313 13.504 7.983 1.00 0.00 C ATOM 278 O ASN A 18 27.761 14.573 8.404 1.00 0.00 O ATOM 279 CB ASN A 18 25.173 13.484 6.541 1.00 0.00 C ATOM 280 CG ASN A 18 25.732 12.602 5.419 1.00 0.00 C ATOM 281 OD1 ASN A 18 26.653 12.992 4.714 1.00 0.00 O ATOM 282 ND2 ASN A 18 25.183 11.406 5.252 1.00 0.00 N ATOM 0 H ASN A 18 24.339 14.696 8.452 1.00 0.00 H new ATOM 0 HA ASN A 18 25.641 12.210 8.258 1.00 0.00 H new ATOM 0 HB2 ASN A 18 24.096 13.327 6.598 1.00 0.00 H new ATOM 0 HB3 ASN A 18 25.329 14.528 6.268 1.00 0.00 H new ATOM 0 HD21 ASN A 18 25.528 10.784 4.520 1.00 0.00 H new ATOM 0 HD22 ASN A 18 24.416 11.108 5.855 1.00 0.00 H new ATOM 289 N LYS A 19 28.107 12.509 7.547 1.00 0.00 N ATOM 290 CA LYS A 19 29.594 12.584 7.545 1.00 0.00 C ATOM 291 C LYS A 19 30.118 13.689 6.587 1.00 0.00 C ATOM 292 O LYS A 19 31.243 14.161 6.729 1.00 0.00 O ATOM 293 CB LYS A 19 30.224 11.187 7.213 1.00 0.00 C ATOM 294 CG LYS A 19 30.198 10.740 5.727 1.00 0.00 C ATOM 295 CD LYS A 19 28.785 10.504 5.124 1.00 0.00 C ATOM 296 CE LYS A 19 27.949 9.461 5.884 1.00 0.00 C ATOM 297 NZ LYS A 19 28.630 8.145 5.981 1.00 0.00 N ATOM 0 H LYS A 19 27.744 11.627 7.185 1.00 0.00 H new ATOM 0 HA LYS A 19 29.910 12.864 8.550 1.00 0.00 H new ATOM 0 HB2 LYS A 19 31.262 11.195 7.547 1.00 0.00 H new ATOM 0 HB3 LYS A 19 29.705 10.432 7.803 1.00 0.00 H new ATOM 0 HG2 LYS A 19 30.707 11.496 5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 19 30.773 9.819 5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 19 28.244 11.450 5.111 1.00 0.00 H new ATOM 0 HD3 LYS A 19 28.892 10.184 4.087 1.00 0.00 H new ATOM 0 HE2 LYS A 19 27.737 9.831 6.887 1.00 0.00 H new ATOM 0 HE3 LYS A 19 26.990 9.334 5.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 28.011 7.469 6.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 28.840 7.791 5.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 29.517 8.252 6.513 1.00 0.00 H new ATOM 311 N LYS A 20 29.266 14.089 5.618 1.00 0.00 N ATOM 312 CA LYS A 20 29.536 15.207 4.683 1.00 0.00 C ATOM 313 C LYS A 20 28.916 16.538 5.228 1.00 0.00 C ATOM 314 O LYS A 20 28.862 17.559 4.528 1.00 0.00 O ATOM 315 CB LYS A 20 28.967 14.823 3.283 1.00 0.00 C ATOM 316 CG LYS A 20 29.415 15.721 2.101 1.00 0.00 C ATOM 317 CD LYS A 20 28.897 15.225 0.727 1.00 0.00 C ATOM 318 CE LYS A 20 27.362 15.171 0.647 1.00 0.00 C ATOM 319 NZ LYS A 20 26.888 14.645 -0.654 1.00 0.00 N ATOM 0 H LYS A 20 28.363 13.642 5.460 1.00 0.00 H new ATOM 0 HA LYS A 20 30.608 15.378 4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 20 29.257 13.795 3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 20 27.878 14.842 3.337 1.00 0.00 H new ATOM 0 HG2 LYS A 20 29.060 16.738 2.271 1.00 0.00 H new ATOM 0 HG3 LYS A 20 30.504 15.763 2.078 1.00 0.00 H new ATOM 0 HD2 LYS A 20 29.273 15.883 -0.056 1.00 0.00 H new ATOM 0 HD3 LYS A 20 29.301 14.232 0.530 1.00 0.00 H new ATOM 0 HE2 LYS A 20 26.980 14.543 1.452 1.00 0.00 H new ATOM 0 HE3 LYS A 20 26.956 16.171 0.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 25.848 14.626 -0.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 27.230 15.258 -1.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 27.253 13.681 -0.792 1.00 0.00 H new ATOM 333 N GLY A 21 28.487 16.497 6.505 1.00 0.00 N ATOM 334 CA GLY A 21 27.901 17.643 7.213 1.00 0.00 C ATOM 335 C GLY A 21 26.511 18.031 6.718 1.00 0.00 C ATOM 336 O GLY A 21 26.108 19.196 6.828 1.00 0.00 O ATOM 0 H GLY A 21 28.540 15.654 7.077 1.00 0.00 H new ATOM 0 HA2 GLY A 21 27.845 17.411 8.276 1.00 0.00 H new ATOM 0 HA3 GLY A 21 28.566 18.501 7.108 1.00 0.00 H new ATOM 340 N LYS A 22 25.769 17.044 6.194 1.00 0.00 N ATOM 341 CA LYS A 22 24.390 17.241 5.699 1.00 0.00 C ATOM 342 C LYS A 22 23.376 16.868 6.791 1.00 0.00 C ATOM 343 O LYS A 22 23.750 16.406 7.858 1.00 0.00 O ATOM 344 CB LYS A 22 24.165 16.399 4.408 1.00 0.00 C ATOM 345 CG LYS A 22 25.156 16.736 3.275 1.00 0.00 C ATOM 346 CD LYS A 22 25.075 18.219 2.842 1.00 0.00 C ATOM 347 CE LYS A 22 26.210 18.632 1.896 1.00 0.00 C ATOM 348 NZ LYS A 22 26.125 20.068 1.551 1.00 0.00 N ATOM 0 H LYS A 22 26.104 16.085 6.100 1.00 0.00 H new ATOM 0 HA LYS A 22 24.243 18.292 5.450 1.00 0.00 H new ATOM 0 HB2 LYS A 22 24.252 15.341 4.654 1.00 0.00 H new ATOM 0 HB3 LYS A 22 23.148 16.560 4.051 1.00 0.00 H new ATOM 0 HG2 LYS A 22 26.170 16.512 3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 22 24.952 16.098 2.415 1.00 0.00 H new ATOM 0 HD2 LYS A 22 24.118 18.396 2.351 1.00 0.00 H new ATOM 0 HD3 LYS A 22 25.100 18.852 3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 22 27.172 18.425 2.366 1.00 0.00 H new ATOM 0 HE3 LYS A 22 26.164 18.034 0.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 26.905 20.318 0.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 25.217 20.259 1.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 26.193 20.638 2.418 1.00 0.00 H new ATOM 362 N TRP A 23 22.092 17.089 6.516 1.00 0.00 N ATOM 363 CA TRP A 23 21.006 16.809 7.466 1.00 0.00 C ATOM 364 C TRP A 23 20.577 15.341 7.343 1.00 0.00 C ATOM 365 O TRP A 23 20.273 14.880 6.242 1.00 0.00 O ATOM 366 CB TRP A 23 19.793 17.754 7.209 1.00 0.00 C ATOM 367 CG TRP A 23 20.125 19.228 7.301 1.00 0.00 C ATOM 368 CD1 TRP A 23 19.917 20.061 8.369 1.00 0.00 C ATOM 369 CD2 TRP A 23 20.731 20.035 6.279 1.00 0.00 C ATOM 370 NE1 TRP A 23 20.351 21.325 8.070 1.00 0.00 N ATOM 371 CE2 TRP A 23 20.853 21.333 6.793 1.00 0.00 C ATOM 372 CE3 TRP A 23 21.175 19.780 4.973 1.00 0.00 C ATOM 373 CZ2 TRP A 23 21.412 22.373 6.053 1.00 0.00 C ATOM 374 CZ3 TRP A 23 21.724 20.809 4.241 1.00 0.00 C ATOM 375 CH2 TRP A 23 21.841 22.091 4.782 1.00 0.00 C ATOM 0 H TRP A 23 21.770 17.469 5.626 1.00 0.00 H new ATOM 0 HA TRP A 23 21.368 16.991 8.478 1.00 0.00 H new ATOM 0 HB2 TRP A 23 19.388 17.545 6.219 1.00 0.00 H new ATOM 0 HB3 TRP A 23 19.008 17.524 7.930 1.00 0.00 H new ATOM 0 HD1 TRP A 23 19.475 19.764 9.309 1.00 0.00 H new ATOM 0 HE1 TRP A 23 20.308 22.130 8.695 1.00 0.00 H new ATOM 0 HE3 TRP A 23 21.088 18.791 4.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 21.504 23.366 6.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 22.069 20.622 3.235 1.00 0.00 H new ATOM 0 HH2 TRP A 23 22.279 22.878 4.186 1.00 0.00 H new ATOM 386 N GLU A 24 20.620 14.606 8.463 1.00 0.00 N ATOM 387 CA GLU A 24 20.023 13.262 8.572 1.00 0.00 C ATOM 388 C GLU A 24 19.010 13.240 9.708 1.00 0.00 C ATOM 389 O GLU A 24 19.110 14.025 10.658 1.00 0.00 O ATOM 390 CB GLU A 24 21.087 12.149 8.791 1.00 0.00 C ATOM 391 CG GLU A 24 21.976 11.879 7.562 1.00 0.00 C ATOM 392 CD GLU A 24 22.675 10.512 7.592 1.00 0.00 C ATOM 393 OE1 GLU A 24 21.993 9.477 7.421 1.00 0.00 O ATOM 394 OE2 GLU A 24 23.910 10.464 7.788 1.00 0.00 O ATOM 0 H GLU A 24 21.070 14.924 9.321 1.00 0.00 H new ATOM 0 HA GLU A 24 19.529 13.051 7.624 1.00 0.00 H new ATOM 0 HB2 GLU A 24 21.722 12.429 9.631 1.00 0.00 H new ATOM 0 HB3 GLU A 24 20.579 11.225 9.069 1.00 0.00 H new ATOM 0 HG2 GLU A 24 21.365 11.945 6.662 1.00 0.00 H new ATOM 0 HG3 GLU A 24 22.731 12.662 7.492 1.00 0.00 H new ATOM 401 N TYR A 25 18.021 12.357 9.572 1.00 0.00 N ATOM 402 CA TYR A 25 17.012 12.092 10.589 1.00 0.00 C ATOM 403 C TYR A 25 16.908 10.576 10.771 1.00 0.00 C ATOM 404 O TYR A 25 16.696 9.841 9.805 1.00 0.00 O ATOM 405 CB TYR A 25 15.638 12.673 10.177 1.00 0.00 C ATOM 406 CG TYR A 25 15.550 14.212 10.135 1.00 0.00 C ATOM 407 CD1 TYR A 25 16.027 14.942 9.039 1.00 0.00 C ATOM 408 CD2 TYR A 25 14.956 14.927 11.183 1.00 0.00 C ATOM 409 CE1 TYR A 25 15.920 16.320 8.995 1.00 0.00 C ATOM 410 CE2 TYR A 25 14.852 16.304 11.140 1.00 0.00 C ATOM 411 CZ TYR A 25 15.331 16.993 10.046 1.00 0.00 C ATOM 412 OH TYR A 25 15.232 18.369 10.012 1.00 0.00 O ATOM 0 H TYR A 25 17.899 11.794 8.730 1.00 0.00 H new ATOM 0 HA TYR A 25 17.303 12.571 11.524 1.00 0.00 H new ATOM 0 HB2 TYR A 25 15.381 12.285 9.191 1.00 0.00 H new ATOM 0 HB3 TYR A 25 14.884 12.303 10.872 1.00 0.00 H new ATOM 0 HD1 TYR A 25 16.487 14.419 8.213 1.00 0.00 H new ATOM 0 HD2 TYR A 25 14.573 14.392 12.040 1.00 0.00 H new ATOM 0 HE1 TYR A 25 16.295 16.867 8.143 1.00 0.00 H new ATOM 0 HE2 TYR A 25 14.397 16.839 11.961 1.00 0.00 H new ATOM 0 HH TYR A 25 14.791 18.685 10.828 1.00 0.00 H new ATOM 422 N LEU A 26 17.095 10.124 12.006 1.00 0.00 N ATOM 423 CA LEU A 26 16.898 8.734 12.389 1.00 0.00 C ATOM 424 C LEU A 26 15.380 8.475 12.422 1.00 0.00 C ATOM 425 O LEU A 26 14.666 9.107 13.196 1.00 0.00 O ATOM 426 CB LEU A 26 17.578 8.476 13.767 1.00 0.00 C ATOM 427 CG LEU A 26 18.173 7.057 13.989 1.00 0.00 C ATOM 428 CD1 LEU A 26 19.042 7.004 15.266 1.00 0.00 C ATOM 429 CD2 LEU A 26 17.086 5.978 14.024 1.00 0.00 C ATOM 0 H LEU A 26 17.391 10.721 12.778 1.00 0.00 H new ATOM 0 HA LEU A 26 17.356 8.046 11.678 1.00 0.00 H new ATOM 0 HB2 LEU A 26 18.377 9.206 13.895 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.845 8.665 14.551 1.00 0.00 H new ATOM 0 HG LEU A 26 18.815 6.846 13.134 1.00 0.00 H new ATOM 0 HD11 LEU A 26 19.443 5.998 15.392 1.00 0.00 H new ATOM 0 HD12 LEU A 26 19.864 7.714 15.176 1.00 0.00 H new ATOM 0 HD13 LEU A 26 18.433 7.263 16.132 1.00 0.00 H new ATOM 0 HD21 LEU A 26 17.546 5.003 14.181 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.392 6.187 14.838 1.00 0.00 H new ATOM 0 HD23 LEU A 26 16.545 5.976 13.078 1.00 0.00 H new ATOM 441 N ILE A 27 14.900 7.591 11.537 1.00 0.00 N ATOM 442 CA ILE A 27 13.467 7.287 11.367 1.00 0.00 C ATOM 443 C ILE A 27 13.222 5.818 11.731 1.00 0.00 C ATOM 444 O ILE A 27 14.108 4.984 11.603 1.00 0.00 O ATOM 445 CB ILE A 27 12.972 7.516 9.870 1.00 0.00 C ATOM 446 CG1 ILE A 27 13.526 8.841 9.265 1.00 0.00 C ATOM 447 CG2 ILE A 27 11.420 7.484 9.760 1.00 0.00 C ATOM 448 CD1 ILE A 27 13.083 10.091 9.986 1.00 0.00 C ATOM 0 H ILE A 27 15.502 7.058 10.909 1.00 0.00 H new ATOM 0 HA ILE A 27 12.911 7.962 12.018 1.00 0.00 H new ATOM 0 HB ILE A 27 13.373 6.686 9.288 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.615 8.800 9.270 1.00 0.00 H new ATOM 0 HG13 ILE A 27 13.214 8.908 8.223 1.00 0.00 H new ATOM 0 HG21 ILE A 27 11.125 7.644 8.723 1.00 0.00 H new ATOM 0 HG22 ILE A 27 11.051 6.515 10.096 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.995 8.270 10.384 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.515 10.965 9.498 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.996 10.161 9.959 1.00 0.00 H new ATOM 0 HD13 ILE A 27 13.418 10.051 11.022 1.00 0.00 H new ATOM 460 N ARG A 28 12.016 5.514 12.186 1.00 0.00 N ATOM 461 CA ARG A 28 11.527 4.135 12.329 1.00 0.00 C ATOM 462 C ARG A 28 10.325 3.956 11.405 1.00 0.00 C ATOM 463 O ARG A 28 9.469 4.845 11.343 1.00 0.00 O ATOM 464 CB ARG A 28 11.153 3.842 13.800 1.00 0.00 C ATOM 465 CG ARG A 28 10.277 4.907 14.504 1.00 0.00 C ATOM 466 CD ARG A 28 9.818 4.451 15.901 1.00 0.00 C ATOM 467 NE ARG A 28 9.485 5.571 16.800 1.00 0.00 N ATOM 468 CZ ARG A 28 8.765 5.457 17.934 1.00 0.00 C ATOM 469 NH1 ARG A 28 8.103 4.344 18.226 1.00 0.00 N ATOM 470 NH2 ARG A 28 8.698 6.476 18.765 1.00 0.00 N ATOM 0 H ARG A 28 11.336 6.219 12.471 1.00 0.00 H new ATOM 0 HA ARG A 28 12.308 3.428 12.050 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.629 2.887 13.837 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.074 3.723 14.371 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.840 5.836 14.594 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.403 5.121 13.888 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.945 3.806 15.797 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.605 3.850 16.356 1.00 0.00 H new ATOM 0 HE ARG A 28 9.824 6.499 16.546 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.132 3.550 17.586 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.565 4.282 19.091 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.189 7.344 18.549 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.155 6.398 19.625 1.00 0.00 H new ATOM 484 N TRP A 29 10.272 2.831 10.653 1.00 0.00 N ATOM 485 CA TRP A 29 9.149 2.542 9.740 1.00 0.00 C ATOM 486 C TRP A 29 8.279 1.380 10.270 1.00 0.00 C ATOM 487 O TRP A 29 8.785 0.376 10.806 1.00 0.00 O ATOM 488 CB TRP A 29 9.618 2.338 8.256 1.00 0.00 C ATOM 489 CG TRP A 29 10.560 1.188 7.953 1.00 0.00 C ATOM 490 CD1 TRP A 29 11.925 1.223 7.938 1.00 0.00 C ATOM 491 CD2 TRP A 29 10.200 -0.147 7.552 1.00 0.00 C ATOM 492 NE1 TRP A 29 12.428 -0.004 7.584 1.00 0.00 N ATOM 493 CE2 TRP A 29 11.389 -0.859 7.340 1.00 0.00 C ATOM 494 CE3 TRP A 29 8.982 -0.805 7.360 1.00 0.00 C ATOM 495 CZ2 TRP A 29 11.402 -2.198 6.946 1.00 0.00 C ATOM 496 CZ3 TRP A 29 8.990 -2.129 6.969 1.00 0.00 C ATOM 497 CH2 TRP A 29 10.194 -2.816 6.766 1.00 0.00 C ATOM 0 H TRP A 29 10.995 2.112 10.663 1.00 0.00 H new ATOM 0 HA TRP A 29 8.510 3.425 9.719 1.00 0.00 H new ATOM 0 HB2 TRP A 29 8.728 2.210 7.640 1.00 0.00 H new ATOM 0 HB3 TRP A 29 10.101 3.259 7.930 1.00 0.00 H new ATOM 0 HD1 TRP A 29 12.523 2.092 8.171 1.00 0.00 H new ATOM 0 HE1 TRP A 29 13.418 -0.240 7.514 1.00 0.00 H new ATOM 0 HE3 TRP A 29 8.048 -0.285 7.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 12.331 -2.727 6.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 8.053 -2.644 6.817 1.00 0.00 H new ATOM 0 HH2 TRP A 29 10.169 -3.852 6.462 1.00 0.00 H new ATOM 508 N LYS A 30 6.954 1.563 10.088 1.00 0.00 N ATOM 509 CA LYS A 30 5.886 0.716 10.640 1.00 0.00 C ATOM 510 C LYS A 30 6.033 -0.738 10.165 1.00 0.00 C ATOM 511 O LYS A 30 6.428 -0.983 9.028 1.00 0.00 O ATOM 512 CB LYS A 30 4.504 1.291 10.197 1.00 0.00 C ATOM 513 CG LYS A 30 3.291 0.792 11.013 1.00 0.00 C ATOM 514 CD LYS A 30 3.297 1.356 12.450 1.00 0.00 C ATOM 515 CE LYS A 30 2.114 0.864 13.291 1.00 0.00 C ATOM 516 NZ LYS A 30 2.164 -0.601 13.508 1.00 0.00 N ATOM 0 H LYS A 30 6.589 2.335 9.531 1.00 0.00 H new ATOM 0 HA LYS A 30 5.957 0.718 11.728 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.543 2.378 10.263 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.344 1.041 9.148 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.369 1.086 10.511 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.301 -0.297 11.050 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.228 1.073 12.942 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.277 2.445 12.407 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.116 1.374 14.254 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.180 1.126 12.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.417 -0.879 14.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.018 -1.091 12.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.092 -0.863 13.897 1.00 0.00 H new ATOM 530 N GLY A 31 5.682 -1.691 11.033 1.00 0.00 N ATOM 531 CA GLY A 31 5.941 -3.113 10.794 1.00 0.00 C ATOM 532 C GLY A 31 7.050 -3.616 11.701 1.00 0.00 C ATOM 533 O GLY A 31 7.027 -4.765 12.148 1.00 0.00 O ATOM 0 H GLY A 31 5.212 -1.499 11.918 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.032 -3.688 10.970 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.219 -3.267 9.751 1.00 0.00 H new ATOM 537 N TYR A 32 8.028 -2.735 11.988 1.00 0.00 N ATOM 538 CA TYR A 32 9.068 -2.992 13.007 1.00 0.00 C ATOM 539 C TYR A 32 9.017 -1.894 14.073 1.00 0.00 C ATOM 540 O TYR A 32 9.114 -2.167 15.280 1.00 0.00 O ATOM 541 CB TYR A 32 10.466 -3.072 12.350 1.00 0.00 C ATOM 542 CG TYR A 32 10.683 -4.325 11.490 1.00 0.00 C ATOM 543 CD1 TYR A 32 11.041 -5.542 12.078 1.00 0.00 C ATOM 544 CD2 TYR A 32 10.526 -4.297 10.104 1.00 0.00 C ATOM 545 CE1 TYR A 32 11.239 -6.677 11.315 1.00 0.00 C ATOM 546 CE2 TYR A 32 10.723 -5.432 9.338 1.00 0.00 C ATOM 547 CZ TYR A 32 11.078 -6.618 9.948 1.00 0.00 C ATOM 548 OH TYR A 32 11.278 -7.752 9.187 1.00 0.00 O ATOM 0 H TYR A 32 8.121 -1.831 11.525 1.00 0.00 H new ATOM 0 HA TYR A 32 8.877 -3.953 13.485 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.615 -2.188 11.730 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.225 -3.045 13.132 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.165 -5.596 13.149 1.00 0.00 H new ATOM 0 HD2 TYR A 32 10.246 -3.373 9.621 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.519 -7.607 11.788 1.00 0.00 H new ATOM 0 HE2 TYR A 32 10.599 -5.390 8.266 1.00 0.00 H new ATOM 0 HH TYR A 32 11.124 -7.543 8.242 1.00 0.00 H new ATOM 558 N GLY A 33 8.845 -0.655 13.607 1.00 0.00 N ATOM 559 CA GLY A 33 8.813 0.502 14.483 1.00 0.00 C ATOM 560 C GLY A 33 10.158 0.750 15.146 1.00 0.00 C ATOM 561 O GLY A 33 11.176 0.808 14.451 1.00 0.00 O ATOM 0 H GLY A 33 8.725 -0.434 12.618 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.523 1.383 13.910 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.052 0.356 15.250 1.00 0.00 H new ATOM 565 N SER A 34 10.163 0.859 16.483 1.00 0.00 N ATOM 566 CA SER A 34 11.366 1.222 17.263 1.00 0.00 C ATOM 567 C SER A 34 12.543 0.240 17.039 1.00 0.00 C ATOM 568 O SER A 34 13.679 0.682 16.865 1.00 0.00 O ATOM 569 CB SER A 34 11.007 1.319 18.757 1.00 0.00 C ATOM 570 OG SER A 34 10.006 2.292 18.969 1.00 0.00 O ATOM 0 H SER A 34 9.336 0.699 17.058 1.00 0.00 H new ATOM 0 HA SER A 34 11.708 2.194 16.908 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.661 0.350 19.116 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.896 1.574 19.334 1.00 0.00 H new ATOM 0 HG SER A 34 9.791 2.337 19.924 1.00 0.00 H new ATOM 576 N THR A 35 12.253 -1.081 16.977 1.00 0.00 N ATOM 577 CA THR A 35 13.292 -2.135 16.805 1.00 0.00 C ATOM 578 C THR A 35 14.013 -2.034 15.438 1.00 0.00 C ATOM 579 O THR A 35 15.093 -2.603 15.256 1.00 0.00 O ATOM 580 CB THR A 35 12.686 -3.575 17.006 1.00 0.00 C ATOM 581 OG1 THR A 35 13.732 -4.569 17.097 1.00 0.00 O ATOM 582 CG2 THR A 35 11.705 -3.972 15.890 1.00 0.00 C ATOM 0 H THR A 35 11.304 -1.448 17.044 1.00 0.00 H new ATOM 0 HA THR A 35 14.039 -1.963 17.580 1.00 0.00 H new ATOM 0 HB THR A 35 12.129 -3.538 17.942 1.00 0.00 H new ATOM 0 HG1 THR A 35 14.498 -4.288 16.555 1.00 0.00 H new ATOM 0 HG21 THR A 35 11.320 -4.974 16.083 1.00 0.00 H new ATOM 0 HG22 THR A 35 10.877 -3.264 15.865 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.222 -3.960 14.930 1.00 0.00 H new ATOM 590 N GLU A 36 13.399 -1.309 14.489 1.00 0.00 N ATOM 591 CA GLU A 36 14.018 -0.994 13.193 1.00 0.00 C ATOM 592 C GLU A 36 15.088 0.092 13.383 1.00 0.00 C ATOM 593 O GLU A 36 16.268 -0.155 13.120 1.00 0.00 O ATOM 594 CB GLU A 36 12.939 -0.511 12.182 1.00 0.00 C ATOM 595 CG GLU A 36 13.482 -0.053 10.815 1.00 0.00 C ATOM 596 CD GLU A 36 14.250 -1.151 10.048 1.00 0.00 C ATOM 597 OE1 GLU A 36 13.625 -2.170 9.683 1.00 0.00 O ATOM 598 OE2 GLU A 36 15.463 -0.990 9.780 1.00 0.00 O ATOM 0 H GLU A 36 12.460 -0.925 14.599 1.00 0.00 H new ATOM 0 HA GLU A 36 14.487 -1.894 12.795 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.227 -1.320 12.020 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.386 0.314 12.631 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.650 0.291 10.201 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.142 0.801 10.965 1.00 0.00 H new ATOM 605 N ASP A 37 14.630 1.230 13.962 1.00 0.00 N ATOM 606 CA ASP A 37 15.300 2.559 13.963 1.00 0.00 C ATOM 607 C ASP A 37 16.538 2.677 13.006 1.00 0.00 C ATOM 608 O ASP A 37 17.675 2.320 13.356 1.00 0.00 O ATOM 609 CB ASP A 37 15.618 3.020 15.425 1.00 0.00 C ATOM 610 CG ASP A 37 16.723 2.223 16.145 1.00 0.00 C ATOM 611 OD1 ASP A 37 16.538 1.013 16.387 1.00 0.00 O ATOM 612 OD2 ASP A 37 17.778 2.805 16.467 1.00 0.00 O ATOM 0 H ASP A 37 13.743 1.249 14.465 1.00 0.00 H new ATOM 0 HA ASP A 37 14.579 3.255 13.533 1.00 0.00 H new ATOM 0 HB2 ASP A 37 15.908 4.070 15.401 1.00 0.00 H new ATOM 0 HB3 ASP A 37 14.704 2.955 16.015 1.00 0.00 H new ATOM 617 N THR A 38 16.273 3.169 11.784 1.00 0.00 N ATOM 618 CA THR A 38 17.270 3.305 10.714 1.00 0.00 C ATOM 619 C THR A 38 17.440 4.796 10.363 1.00 0.00 C ATOM 620 O THR A 38 16.465 5.544 10.347 1.00 0.00 O ATOM 621 CB THR A 38 16.825 2.484 9.448 1.00 0.00 C ATOM 622 OG1 THR A 38 17.790 2.634 8.394 1.00 0.00 O ATOM 623 CG2 THR A 38 15.424 2.882 8.935 1.00 0.00 C ATOM 0 H THR A 38 15.344 3.488 11.510 1.00 0.00 H new ATOM 0 HA THR A 38 18.226 2.909 11.055 1.00 0.00 H new ATOM 0 HB THR A 38 16.769 1.440 9.756 1.00 0.00 H new ATOM 0 HG1 THR A 38 17.503 2.117 7.612 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.173 2.282 8.061 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.687 2.708 9.719 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.422 3.937 8.663 1.00 0.00 H new ATOM 631 N TRP A 39 18.672 5.231 10.061 1.00 0.00 N ATOM 632 CA TRP A 39 18.943 6.646 9.726 1.00 0.00 C ATOM 633 C TRP A 39 18.784 6.871 8.213 1.00 0.00 C ATOM 634 O TRP A 39 19.362 6.142 7.401 1.00 0.00 O ATOM 635 CB TRP A 39 20.338 7.098 10.249 1.00 0.00 C ATOM 636 CG TRP A 39 21.502 6.222 9.831 1.00 0.00 C ATOM 637 CD1 TRP A 39 22.249 6.328 8.692 1.00 0.00 C ATOM 638 CD2 TRP A 39 22.047 5.109 10.559 1.00 0.00 C ATOM 639 NE1 TRP A 39 23.229 5.375 8.682 1.00 0.00 N ATOM 640 CE2 TRP A 39 23.122 4.608 9.811 1.00 0.00 C ATOM 641 CE3 TRP A 39 21.726 4.492 11.778 1.00 0.00 C ATOM 642 CZ2 TRP A 39 23.887 3.527 10.232 1.00 0.00 C ATOM 643 CZ3 TRP A 39 22.486 3.414 12.196 1.00 0.00 C ATOM 644 CH2 TRP A 39 23.555 2.940 11.421 1.00 0.00 C ATOM 0 H TRP A 39 19.496 4.630 10.040 1.00 0.00 H new ATOM 0 HA TRP A 39 18.209 7.272 10.233 1.00 0.00 H new ATOM 0 HB2 TRP A 39 20.526 8.114 9.901 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.305 7.135 11.338 1.00 0.00 H new ATOM 0 HD1 TRP A 39 22.089 7.058 7.913 1.00 0.00 H new ATOM 0 HE1 TRP A 39 23.929 5.254 7.950 1.00 0.00 H new ATOM 0 HE3 TRP A 39 20.903 4.851 12.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 24.714 3.164 9.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 22.253 2.930 13.133 1.00 0.00 H new ATOM 0 HH2 TRP A 39 24.128 2.094 11.771 1.00 0.00 H new ATOM 655 N GLU A 40 17.937 7.846 7.854 1.00 0.00 N ATOM 656 CA GLU A 40 17.726 8.287 6.467 1.00 0.00 C ATOM 657 C GLU A 40 17.995 9.801 6.397 1.00 0.00 C ATOM 658 O GLU A 40 17.500 10.548 7.243 1.00 0.00 O ATOM 659 CB GLU A 40 16.275 7.978 5.987 1.00 0.00 C ATOM 660 CG GLU A 40 15.966 6.479 5.767 1.00 0.00 C ATOM 661 CD GLU A 40 16.859 5.831 4.681 1.00 0.00 C ATOM 662 OE1 GLU A 40 16.702 6.176 3.484 1.00 0.00 O ATOM 663 OE2 GLU A 40 17.723 4.985 5.016 1.00 0.00 O ATOM 0 H GLU A 40 17.370 8.359 8.529 1.00 0.00 H new ATOM 0 HA GLU A 40 18.408 7.746 5.810 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.573 8.375 6.721 1.00 0.00 H new ATOM 0 HB3 GLU A 40 16.096 8.512 5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 40 16.101 5.944 6.707 1.00 0.00 H new ATOM 0 HG3 GLU A 40 14.919 6.367 5.484 1.00 0.00 H new ATOM 670 N PRO A 41 18.789 10.285 5.389 1.00 0.00 N ATOM 671 CA PRO A 41 19.063 11.725 5.213 1.00 0.00 C ATOM 672 C PRO A 41 17.786 12.519 4.879 1.00 0.00 C ATOM 673 O PRO A 41 16.730 11.936 4.614 1.00 0.00 O ATOM 674 CB PRO A 41 20.108 11.769 4.069 1.00 0.00 C ATOM 675 CG PRO A 41 19.943 10.474 3.334 1.00 0.00 C ATOM 676 CD PRO A 41 19.489 9.465 4.367 1.00 0.00 C ATOM 0 HA PRO A 41 19.434 12.195 6.124 1.00 0.00 H new ATOM 0 HB2 PRO A 41 19.935 12.620 3.410 1.00 0.00 H new ATOM 0 HB3 PRO A 41 21.119 11.872 4.463 1.00 0.00 H new ATOM 0 HG2 PRO A 41 19.210 10.570 2.533 1.00 0.00 H new ATOM 0 HG3 PRO A 41 20.881 10.165 2.872 1.00 0.00 H new ATOM 0 HD2 PRO A 41 18.825 8.719 3.931 1.00 0.00 H new ATOM 0 HD3 PRO A 41 20.334 8.927 4.797 1.00 0.00 H new ATOM 684 N GLU A 42 17.910 13.854 4.912 1.00 0.00 N ATOM 685 CA GLU A 42 16.792 14.794 4.711 1.00 0.00 C ATOM 686 C GLU A 42 16.125 14.543 3.345 1.00 0.00 C ATOM 687 O GLU A 42 14.912 14.363 3.261 1.00 0.00 O ATOM 688 CB GLU A 42 17.320 16.258 4.863 1.00 0.00 C ATOM 689 CG GLU A 42 16.266 17.399 4.812 1.00 0.00 C ATOM 690 CD GLU A 42 15.846 17.803 3.386 1.00 0.00 C ATOM 691 OE1 GLU A 42 16.740 18.198 2.589 1.00 0.00 O ATOM 692 OE2 GLU A 42 14.644 17.714 3.042 1.00 0.00 O ATOM 0 H GLU A 42 18.801 14.320 5.081 1.00 0.00 H new ATOM 0 HA GLU A 42 16.024 14.637 5.468 1.00 0.00 H new ATOM 0 HB2 GLU A 42 17.850 16.330 5.813 1.00 0.00 H new ATOM 0 HB3 GLU A 42 18.051 16.437 4.075 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.380 17.086 5.365 1.00 0.00 H new ATOM 0 HG3 GLU A 42 16.668 18.274 5.323 1.00 0.00 H new ATOM 699 N HIS A 43 16.946 14.428 2.296 1.00 0.00 N ATOM 700 CA HIS A 43 16.453 14.208 0.916 1.00 0.00 C ATOM 701 C HIS A 43 15.835 12.795 0.728 1.00 0.00 C ATOM 702 O HIS A 43 15.253 12.511 -0.325 1.00 0.00 O ATOM 703 CB HIS A 43 17.600 14.452 -0.098 1.00 0.00 C ATOM 704 CG HIS A 43 18.096 15.875 -0.122 1.00 0.00 C ATOM 705 ND1 HIS A 43 17.677 16.796 -1.058 1.00 0.00 N ATOM 706 CD2 HIS A 43 18.967 16.533 0.681 1.00 0.00 C ATOM 707 CE1 HIS A 43 18.269 17.951 -0.834 1.00 0.00 C ATOM 708 NE2 HIS A 43 19.053 17.820 0.215 1.00 0.00 N ATOM 0 H HIS A 43 17.962 14.483 2.369 1.00 0.00 H new ATOM 0 HA HIS A 43 15.652 14.924 0.731 1.00 0.00 H new ATOM 0 HB2 HIS A 43 18.432 13.791 0.143 1.00 0.00 H new ATOM 0 HB3 HIS A 43 17.255 14.180 -1.096 1.00 0.00 H new ATOM 0 HD2 HIS A 43 19.494 16.121 1.529 1.00 0.00 H new ATOM 0 HE1 HIS A 43 18.134 18.853 -1.413 1.00 0.00 H new ATOM 0 HE2 HIS A 43 19.632 18.557 0.617 1.00 0.00 H new ATOM 717 N HIS A 44 15.958 11.923 1.755 1.00 0.00 N ATOM 718 CA HIS A 44 15.373 10.561 1.750 1.00 0.00 C ATOM 719 C HIS A 44 14.182 10.419 2.706 1.00 0.00 C ATOM 720 O HIS A 44 13.306 9.598 2.429 1.00 0.00 O ATOM 721 CB HIS A 44 16.439 9.488 2.139 1.00 0.00 C ATOM 722 CG HIS A 44 17.278 8.977 1.005 1.00 0.00 C ATOM 723 ND1 HIS A 44 17.629 7.649 0.889 1.00 0.00 N ATOM 724 CD2 HIS A 44 17.829 9.602 -0.061 1.00 0.00 C ATOM 725 CE1 HIS A 44 18.354 7.477 -0.196 1.00 0.00 C ATOM 726 NE2 HIS A 44 18.490 8.647 -0.789 1.00 0.00 N ATOM 0 H HIS A 44 16.466 12.144 2.612 1.00 0.00 H new ATOM 0 HA HIS A 44 15.023 10.399 0.731 1.00 0.00 H new ATOM 0 HB2 HIS A 44 17.099 9.913 2.895 1.00 0.00 H new ATOM 0 HB3 HIS A 44 15.928 8.643 2.601 1.00 0.00 H new ATOM 0 HD1 HIS A 44 17.367 6.912 1.544 1.00 0.00 H new ATOM 0 HD2 HIS A 44 17.761 10.654 -0.294 1.00 0.00 H new ATOM 0 HE1 HIS A 44 18.766 6.540 -0.541 1.00 0.00 H new ATOM 735 N LEU A 45 14.165 11.177 3.830 1.00 0.00 N ATOM 736 CA LEU A 45 13.350 10.776 5.009 1.00 0.00 C ATOM 737 C LEU A 45 11.830 10.783 4.703 1.00 0.00 C ATOM 738 O LEU A 45 11.131 9.826 5.042 1.00 0.00 O ATOM 739 CB LEU A 45 13.665 11.633 6.295 1.00 0.00 C ATOM 740 CG LEU A 45 12.770 12.901 6.573 1.00 0.00 C ATOM 741 CD1 LEU A 45 12.833 13.325 8.040 1.00 0.00 C ATOM 742 CD2 LEU A 45 13.116 14.089 5.657 1.00 0.00 C ATOM 0 H LEU A 45 14.689 12.044 3.947 1.00 0.00 H new ATOM 0 HA LEU A 45 13.643 9.749 5.228 1.00 0.00 H new ATOM 0 HB2 LEU A 45 13.592 10.976 7.161 1.00 0.00 H new ATOM 0 HB3 LEU A 45 14.702 11.963 6.232 1.00 0.00 H new ATOM 0 HG LEU A 45 11.748 12.601 6.342 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.204 14.202 8.193 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.478 12.509 8.670 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.862 13.567 8.305 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.468 14.932 5.894 1.00 0.00 H new ATOM 0 HD22 LEU A 45 14.156 14.376 5.811 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.969 13.801 4.616 1.00 0.00 H new ATOM 754 N LEU A 46 11.369 11.842 4.001 1.00 0.00 N ATOM 755 CA LEU A 46 9.931 12.172 3.794 1.00 0.00 C ATOM 756 C LEU A 46 9.800 13.413 2.889 1.00 0.00 C ATOM 757 O LEU A 46 10.793 14.065 2.552 1.00 0.00 O ATOM 758 CB LEU A 46 9.207 12.478 5.159 1.00 0.00 C ATOM 759 CG LEU A 46 8.610 11.263 5.931 1.00 0.00 C ATOM 760 CD1 LEU A 46 8.124 11.681 7.326 1.00 0.00 C ATOM 761 CD2 LEU A 46 7.491 10.591 5.105 1.00 0.00 C ATOM 0 H LEU A 46 11.996 12.509 3.551 1.00 0.00 H new ATOM 0 HA LEU A 46 9.462 11.305 3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.919 12.980 5.815 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.400 13.185 4.964 1.00 0.00 H new ATOM 0 HG LEU A 46 9.398 10.524 6.076 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.712 10.814 7.843 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.961 12.081 7.898 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.353 12.445 7.229 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.087 9.745 5.661 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.697 11.312 4.914 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.899 10.241 4.157 1.00 0.00 H new ATOM 773 N HIS A 47 8.549 13.706 2.504 1.00 0.00 N ATOM 774 CA HIS A 47 8.127 15.020 1.976 1.00 0.00 C ATOM 775 C HIS A 47 7.333 15.780 3.079 1.00 0.00 C ATOM 776 O HIS A 47 7.108 16.994 2.983 1.00 0.00 O ATOM 777 CB HIS A 47 7.259 14.819 0.701 1.00 0.00 C ATOM 778 CG HIS A 47 6.790 16.100 0.053 1.00 0.00 C ATOM 779 ND1 HIS A 47 5.476 16.517 0.063 1.00 0.00 N ATOM 780 CD2 HIS A 47 7.474 17.053 -0.630 1.00 0.00 C ATOM 781 CE1 HIS A 47 5.372 17.663 -0.583 1.00 0.00 C ATOM 782 NE2 HIS A 47 6.566 18.007 -1.016 1.00 0.00 N ATOM 0 H HIS A 47 7.787 13.029 2.550 1.00 0.00 H new ATOM 0 HA HIS A 47 9.000 15.612 1.701 1.00 0.00 H new ATOM 0 HB2 HIS A 47 7.834 14.248 -0.028 1.00 0.00 H new ATOM 0 HB3 HIS A 47 6.387 14.218 0.961 1.00 0.00 H new ATOM 0 HD2 HIS A 47 8.535 17.059 -0.832 1.00 0.00 H new ATOM 0 HE1 HIS A 47 4.461 18.224 -0.731 1.00 0.00 H new ATOM 0 HE2 HIS A 47 6.782 18.847 -1.552 1.00 0.00 H new ATOM 791 N CYS A 48 6.961 15.042 4.147 1.00 0.00 N ATOM 792 CA CYS A 48 6.052 15.502 5.201 1.00 0.00 C ATOM 793 C CYS A 48 6.840 16.161 6.348 1.00 0.00 C ATOM 794 O CYS A 48 7.385 15.468 7.221 1.00 0.00 O ATOM 795 CB CYS A 48 5.219 14.302 5.706 1.00 0.00 C ATOM 796 SG CYS A 48 4.387 13.390 4.384 1.00 0.00 S ATOM 0 H CYS A 48 7.296 14.090 4.297 1.00 0.00 H new ATOM 0 HA CYS A 48 5.376 16.257 4.799 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.872 13.620 6.251 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.472 14.661 6.414 1.00 0.00 H new ATOM 0 HG CYS A 48 3.715 12.402 4.895 1.00 0.00 H new ATOM 802 N GLU A 49 6.890 17.510 6.323 1.00 0.00 N ATOM 803 CA GLU A 49 7.603 18.326 7.331 1.00 0.00 C ATOM 804 C GLU A 49 6.888 18.284 8.703 1.00 0.00 C ATOM 805 O GLU A 49 7.460 18.686 9.725 1.00 0.00 O ATOM 806 CB GLU A 49 7.741 19.790 6.834 1.00 0.00 C ATOM 807 CG GLU A 49 8.747 20.660 7.623 1.00 0.00 C ATOM 808 CD GLU A 49 8.880 22.092 7.069 1.00 0.00 C ATOM 809 OE1 GLU A 49 8.050 22.957 7.426 1.00 0.00 O ATOM 810 OE2 GLU A 49 9.795 22.357 6.262 1.00 0.00 O ATOM 0 H GLU A 49 6.435 18.067 5.600 1.00 0.00 H new ATOM 0 HA GLU A 49 8.598 17.902 7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.042 19.775 5.786 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.761 20.266 6.877 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.434 20.709 8.666 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.725 20.179 7.605 1.00 0.00 H new ATOM 817 N GLU A 50 5.622 17.814 8.695 1.00 0.00 N ATOM 818 CA GLU A 50 4.813 17.614 9.918 1.00 0.00 C ATOM 819 C GLU A 50 5.534 16.688 10.931 1.00 0.00 C ATOM 820 O GLU A 50 5.581 16.996 12.125 1.00 0.00 O ATOM 821 CB GLU A 50 3.408 17.057 9.552 1.00 0.00 C ATOM 822 CG GLU A 50 3.431 15.756 8.730 1.00 0.00 C ATOM 823 CD GLU A 50 2.029 15.205 8.425 1.00 0.00 C ATOM 824 OE1 GLU A 50 1.448 15.572 7.383 1.00 0.00 O ATOM 825 OE2 GLU A 50 1.504 14.404 9.227 1.00 0.00 O ATOM 0 H GLU A 50 5.130 17.562 7.838 1.00 0.00 H new ATOM 0 HA GLU A 50 4.685 18.583 10.400 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.850 16.881 10.472 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.865 17.817 8.990 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.955 15.937 7.791 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.000 15.001 9.273 1.00 0.00 H new ATOM 832 N PHE A 51 6.136 15.586 10.428 1.00 0.00 N ATOM 833 CA PHE A 51 6.905 14.637 11.265 1.00 0.00 C ATOM 834 C PHE A 51 8.166 15.306 11.849 1.00 0.00 C ATOM 835 O PHE A 51 8.527 15.041 12.993 1.00 0.00 O ATOM 836 CB PHE A 51 7.294 13.362 10.467 1.00 0.00 C ATOM 837 CG PHE A 51 6.142 12.388 10.217 1.00 0.00 C ATOM 838 CD1 PHE A 51 5.220 12.607 9.195 1.00 0.00 C ATOM 839 CD2 PHE A 51 5.999 11.234 10.992 1.00 0.00 C ATOM 840 CE1 PHE A 51 4.190 11.718 8.967 1.00 0.00 C ATOM 841 CE2 PHE A 51 4.969 10.345 10.763 1.00 0.00 C ATOM 842 CZ PHE A 51 4.069 10.584 9.746 1.00 0.00 C ATOM 0 H PHE A 51 6.103 15.331 9.441 1.00 0.00 H new ATOM 0 HA PHE A 51 6.259 14.338 12.090 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.711 13.664 9.506 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.083 12.839 11.007 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.313 13.485 8.573 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.706 11.035 11.783 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.477 11.909 8.178 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.868 9.464 11.379 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.269 9.884 9.558 1.00 0.00 H new ATOM 852 N ILE A 52 8.810 16.192 11.056 1.00 0.00 N ATOM 853 CA ILE A 52 9.989 16.981 11.503 1.00 0.00 C ATOM 854 C ILE A 52 9.573 17.894 12.676 1.00 0.00 C ATOM 855 O ILE A 52 10.280 17.993 13.701 1.00 0.00 O ATOM 856 CB ILE A 52 10.637 17.820 10.311 1.00 0.00 C ATOM 857 CG1 ILE A 52 11.321 16.877 9.248 1.00 0.00 C ATOM 858 CG2 ILE A 52 11.651 18.881 10.832 1.00 0.00 C ATOM 859 CD1 ILE A 52 10.383 16.043 8.384 1.00 0.00 C ATOM 0 H ILE A 52 8.532 16.382 10.093 1.00 0.00 H new ATOM 0 HA ILE A 52 10.761 16.290 11.842 1.00 0.00 H new ATOM 0 HB ILE A 52 9.821 18.352 9.821 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.936 17.492 8.591 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.994 16.200 9.774 1.00 0.00 H new ATOM 0 HG21 ILE A 52 12.069 19.430 9.988 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.140 19.575 11.500 1.00 0.00 H new ATOM 0 HG23 ILE A 52 12.454 18.381 11.373 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.968 15.436 7.693 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.784 15.392 9.021 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.725 16.703 7.819 1.00 0.00 H new ATOM 871 N ASP A 53 8.358 18.464 12.557 1.00 0.00 N ATOM 872 CA ASP A 53 7.783 19.318 13.608 1.00 0.00 C ATOM 873 C ASP A 53 7.520 18.454 14.849 1.00 0.00 C ATOM 874 O ASP A 53 7.860 18.836 15.981 1.00 0.00 O ATOM 875 CB ASP A 53 6.473 19.982 13.112 1.00 0.00 C ATOM 876 CG ASP A 53 5.855 20.960 14.137 1.00 0.00 C ATOM 877 OD1 ASP A 53 6.248 22.154 14.146 1.00 0.00 O ATOM 878 OD2 ASP A 53 4.954 20.557 14.917 1.00 0.00 O ATOM 0 H ASP A 53 7.757 18.347 11.741 1.00 0.00 H new ATOM 0 HA ASP A 53 8.481 20.116 13.860 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.675 20.518 12.185 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.746 19.204 12.879 1.00 0.00 H new ATOM 883 N GLU A 54 7.030 17.218 14.594 1.00 0.00 N ATOM 884 CA GLU A 54 6.701 16.257 15.646 1.00 0.00 C ATOM 885 C GLU A 54 7.981 15.806 16.350 1.00 0.00 C ATOM 886 O GLU A 54 7.944 15.523 17.543 1.00 0.00 O ATOM 887 CB GLU A 54 5.929 15.025 15.091 1.00 0.00 C ATOM 888 CG GLU A 54 5.743 13.884 16.110 1.00 0.00 C ATOM 889 CD GLU A 54 4.839 12.759 15.613 1.00 0.00 C ATOM 890 OE1 GLU A 54 5.339 11.818 14.953 1.00 0.00 O ATOM 891 OE2 GLU A 54 3.622 12.793 15.895 1.00 0.00 O ATOM 0 H GLU A 54 6.856 16.870 13.651 1.00 0.00 H new ATOM 0 HA GLU A 54 6.045 16.755 16.360 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.948 15.351 14.745 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.462 14.638 14.222 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.720 13.470 16.360 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.326 14.294 17.029 1.00 0.00 H new ATOM 898 N PHE A 55 9.122 15.797 15.611 1.00 0.00 N ATOM 899 CA PHE A 55 10.423 15.447 16.194 1.00 0.00 C ATOM 900 C PHE A 55 10.737 16.436 17.323 1.00 0.00 C ATOM 901 O PHE A 55 11.056 16.010 18.431 1.00 0.00 O ATOM 902 CB PHE A 55 11.572 15.417 15.142 1.00 0.00 C ATOM 903 CG PHE A 55 12.967 15.415 15.773 1.00 0.00 C ATOM 904 CD1 PHE A 55 13.415 14.328 16.522 1.00 0.00 C ATOM 905 CD2 PHE A 55 13.809 16.528 15.666 1.00 0.00 C ATOM 906 CE1 PHE A 55 14.648 14.349 17.136 1.00 0.00 C ATOM 907 CE2 PHE A 55 15.048 16.541 16.277 1.00 0.00 C ATOM 908 CZ PHE A 55 15.467 15.451 17.015 1.00 0.00 C ATOM 0 H PHE A 55 9.156 16.028 14.618 1.00 0.00 H new ATOM 0 HA PHE A 55 10.357 14.433 16.588 1.00 0.00 H new ATOM 0 HB2 PHE A 55 11.461 14.530 14.518 1.00 0.00 H new ATOM 0 HB3 PHE A 55 11.478 16.282 14.486 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.786 13.456 16.622 1.00 0.00 H new ATOM 0 HD2 PHE A 55 13.486 17.388 15.098 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.975 13.498 17.715 1.00 0.00 H new ATOM 0 HE2 PHE A 55 15.690 17.404 16.178 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.434 15.462 17.496 1.00 0.00 H new ATOM 918 N ASN A 56 10.545 17.747 17.048 1.00 0.00 N ATOM 919 CA ASN A 56 10.764 18.810 18.057 1.00 0.00 C ATOM 920 C ASN A 56 9.833 18.588 19.279 1.00 0.00 C ATOM 921 O ASN A 56 10.216 18.873 20.426 1.00 0.00 O ATOM 922 CB ASN A 56 10.530 20.211 17.433 1.00 0.00 C ATOM 923 CG ASN A 56 10.788 21.379 18.393 1.00 0.00 C ATOM 924 OD1 ASN A 56 11.606 21.287 19.310 1.00 0.00 O ATOM 925 ND2 ASN A 56 10.109 22.498 18.174 1.00 0.00 N ATOM 0 H ASN A 56 10.240 18.094 16.139 1.00 0.00 H new ATOM 0 HA ASN A 56 11.798 18.761 18.398 1.00 0.00 H new ATOM 0 HB2 ASN A 56 11.177 20.321 16.563 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.502 20.270 17.075 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.258 23.310 18.772 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.438 22.546 17.407 1.00 0.00 H new ATOM 932 N GLY A 57 8.642 18.021 19.009 1.00 0.00 N ATOM 933 CA GLY A 57 7.708 17.630 20.053 1.00 0.00 C ATOM 934 C GLY A 57 8.243 16.486 20.921 1.00 0.00 C ATOM 935 O GLY A 57 8.412 16.652 22.120 1.00 0.00 O ATOM 0 H GLY A 57 8.312 17.827 18.063 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.493 18.492 20.685 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.765 17.326 19.598 1.00 0.00 H new ATOM 939 N LEU A 58 8.611 15.348 20.288 1.00 0.00 N ATOM 940 CA LEU A 58 8.880 14.071 21.011 1.00 0.00 C ATOM 941 C LEU A 58 10.313 14.023 21.565 1.00 0.00 C ATOM 942 O LEU A 58 10.635 13.171 22.406 1.00 0.00 O ATOM 943 CB LEU A 58 8.535 12.817 20.122 1.00 0.00 C ATOM 944 CG LEU A 58 9.101 12.762 18.657 1.00 0.00 C ATOM 945 CD1 LEU A 58 10.620 12.499 18.590 1.00 0.00 C ATOM 946 CD2 LEU A 58 8.305 11.751 17.793 1.00 0.00 C ATOM 0 H LEU A 58 8.730 15.282 19.277 1.00 0.00 H new ATOM 0 HA LEU A 58 8.213 14.035 21.872 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.888 11.930 20.648 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.449 12.741 20.062 1.00 0.00 H new ATOM 0 HG LEU A 58 8.961 13.758 18.238 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.939 12.474 17.548 1.00 0.00 H new ATOM 0 HD12 LEU A 58 11.150 13.294 19.113 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.845 11.542 19.061 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.716 11.732 16.784 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.380 10.757 18.234 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.258 12.052 17.752 1.00 0.00 H new ATOM 958 N HIS A 59 11.151 14.957 21.095 1.00 0.00 N ATOM 959 CA HIS A 59 12.527 15.128 21.570 1.00 0.00 C ATOM 960 C HIS A 59 12.504 15.755 22.977 1.00 0.00 C ATOM 961 O HIS A 59 13.302 15.381 23.843 1.00 0.00 O ATOM 962 CB HIS A 59 13.315 16.025 20.569 1.00 0.00 C ATOM 963 CG HIS A 59 14.780 16.173 20.876 1.00 0.00 C ATOM 964 ND1 HIS A 59 15.727 15.271 20.444 1.00 0.00 N ATOM 965 CD2 HIS A 59 15.463 17.126 21.555 1.00 0.00 C ATOM 966 CE1 HIS A 59 16.921 15.660 20.844 1.00 0.00 C ATOM 967 NE2 HIS A 59 16.788 16.779 21.519 1.00 0.00 N ATOM 0 H HIS A 59 10.888 15.621 20.367 1.00 0.00 H new ATOM 0 HA HIS A 59 13.027 14.161 21.629 1.00 0.00 H new ATOM 0 HB2 HIS A 59 13.208 15.609 19.567 1.00 0.00 H new ATOM 0 HB3 HIS A 59 12.859 17.015 20.553 1.00 0.00 H new ATOM 0 HD2 HIS A 59 15.042 17.997 22.035 1.00 0.00 H new ATOM 0 HE1 HIS A 59 17.851 15.146 20.650 1.00 0.00 H new ATOM 0 HE2 HIS A 59 17.549 17.305 21.948 1.00 0.00 H new