USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 390 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 ASN : amide:sc= -3.49! C(o=-6.2!,f=-1.9!) USER MOD Set 1.2: A 51 GLN : amide:sc= -2.71! K(o=-6.2!,f=0.3) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -126:sc= 0.99 USER MOD Single : A 16 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0739) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot -4:sc= 0.394 USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= -1.34 (180deg=-1.72!) USER MOD Single : A 28 SER OG : rot 111:sc= -0.0424! USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 156:sc= -0.032 (180deg=-0.248) USER MOD Single : A 56 SER OG : rot 150:sc= -0.538 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ALA A 8 -7.011 -6.760 -8.834 1.00 0.36 N ATOM 103 CA ALA A 8 -6.033 -7.324 -7.869 1.00 0.19 C ATOM 104 C ALA A 8 -6.728 -7.646 -6.549 1.00 0.22 C ATOM 105 O ALA A 8 -7.907 -7.402 -6.393 1.00 0.50 O ATOM 106 CB ALA A 8 -4.933 -6.288 -7.631 1.00 0.42 C ATOM 0 HA ALA A 8 -5.605 -8.242 -8.271 1.00 0.19 H new ATOM 0 HB1 ALA A 8 -4.205 -6.686 -6.924 1.00 0.42 H new ATOM 0 HB2 ALA A 8 -4.436 -6.062 -8.574 1.00 0.42 H new ATOM 0 HB3 ALA A 8 -5.373 -5.377 -7.225 1.00 0.42 H new ATOM 112 N VAL A 9 -5.989 -8.191 -5.623 1.00 0.13 N ATOM 113 CA VAL A 9 -6.591 -8.535 -4.313 1.00 0.37 C ATOM 114 C VAL A 9 -5.578 -8.310 -3.197 1.00 0.27 C ATOM 115 O VAL A 9 -4.469 -7.870 -3.426 1.00 0.14 O ATOM 116 CB VAL A 9 -6.948 -10.039 -4.324 1.00 0.65 C ATOM 117 CG1 VAL A 9 -8.241 -10.279 -3.543 1.00 1.98 C ATOM 118 CG2 VAL A 9 -7.148 -10.522 -5.762 1.00 2.36 C ATOM 0 H VAL A 9 -4.998 -8.411 -5.720 1.00 0.13 H new ATOM 0 HA VAL A 9 -7.471 -7.914 -4.147 1.00 0.37 H new ATOM 0 HB VAL A 9 -6.129 -10.589 -3.860 1.00 0.65 H new ATOM 0 HG11 VAL A 9 -8.483 -11.342 -3.557 1.00 1.98 H new ATOM 0 HG12 VAL A 9 -8.110 -9.951 -2.512 1.00 1.98 H new ATOM 0 HG13 VAL A 9 -9.053 -9.716 -4.002 1.00 1.98 H new ATOM 0 HG21 VAL A 9 -7.399 -11.583 -5.758 1.00 2.36 H new ATOM 0 HG22 VAL A 9 -7.958 -9.959 -6.226 1.00 2.36 H new ATOM 0 HG23 VAL A 9 -6.229 -10.369 -6.328 1.00 2.36 H new ATOM 128 N LYS A 10 -5.994 -8.618 -2.010 1.00 0.35 N ATOM 129 CA LYS A 10 -5.105 -8.451 -0.835 1.00 0.28 C ATOM 130 C LYS A 10 -5.527 -9.454 0.252 1.00 0.23 C ATOM 131 O LYS A 10 -6.350 -9.157 1.089 1.00 0.24 O ATOM 132 CB LYS A 10 -5.248 -7.022 -0.296 1.00 0.27 C ATOM 133 CG LYS A 10 -3.993 -6.672 0.507 1.00 0.25 C ATOM 134 CD LYS A 10 -4.357 -5.672 1.606 1.00 0.44 C ATOM 135 CE LYS A 10 -3.077 -5.173 2.281 1.00 1.11 C ATOM 136 NZ LYS A 10 -2.844 -3.738 1.965 1.00 0.73 N ATOM 0 H LYS A 10 -6.923 -8.983 -1.799 1.00 0.35 H new ATOM 0 HA LYS A 10 -4.068 -8.630 -1.120 1.00 0.28 H new ATOM 0 HB2 LYS A 10 -5.378 -6.319 -1.119 1.00 0.27 H new ATOM 0 HB3 LYS A 10 -6.134 -6.943 0.334 1.00 0.27 H new ATOM 0 HG2 LYS A 10 -3.566 -7.573 0.947 1.00 0.25 H new ATOM 0 HG3 LYS A 10 -3.234 -6.247 -0.150 1.00 0.25 H new ATOM 0 HD2 LYS A 10 -4.909 -4.833 1.182 1.00 0.44 H new ATOM 0 HD3 LYS A 10 -5.009 -6.144 2.341 1.00 0.44 H new ATOM 0 HE2 LYS A 10 -3.153 -5.306 3.360 1.00 1.11 H new ATOM 0 HE3 LYS A 10 -2.227 -5.767 1.946 1.00 1.11 H new ATOM 0 HZ1 LYS A 10 -1.972 -3.417 2.431 1.00 0.73 H new ATOM 0 HZ2 LYS A 10 -2.750 -3.620 0.936 1.00 0.73 H new ATOM 0 HZ3 LYS A 10 -3.647 -3.172 2.306 1.00 0.73 H new ATOM 150 N ALA A 11 -4.946 -10.620 0.208 1.00 0.25 N ATOM 151 CA ALA A 11 -5.284 -11.675 1.213 1.00 0.25 C ATOM 152 C ALA A 11 -5.522 -11.133 2.619 1.00 0.24 C ATOM 153 O ALA A 11 -4.723 -10.394 3.158 1.00 0.29 O ATOM 154 CB ALA A 11 -4.114 -12.653 1.270 1.00 0.32 C ATOM 0 H ALA A 11 -4.247 -10.892 -0.483 1.00 0.25 H new ATOM 0 HA ALA A 11 -6.215 -12.142 0.893 1.00 0.25 H new ATOM 0 HB1 ALA A 11 -4.330 -13.437 1.996 1.00 0.32 H new ATOM 0 HB2 ALA A 11 -3.965 -13.100 0.287 1.00 0.32 H new ATOM 0 HB3 ALA A 11 -3.210 -12.122 1.568 1.00 0.32 H new ATOM 160 N LEU A 12 -6.638 -11.526 3.179 1.00 0.43 N ATOM 161 CA LEU A 12 -6.979 -11.073 4.549 1.00 0.45 C ATOM 162 C LEU A 12 -6.541 -12.149 5.541 1.00 0.51 C ATOM 163 O LEU A 12 -6.193 -11.855 6.666 1.00 0.58 O ATOM 164 CB LEU A 12 -8.503 -10.881 4.658 1.00 0.38 C ATOM 165 CG LEU A 12 -8.988 -9.892 3.590 1.00 0.32 C ATOM 166 CD1 LEU A 12 -10.467 -9.581 3.836 1.00 0.54 C ATOM 167 CD2 LEU A 12 -8.193 -8.588 3.698 1.00 0.61 C ATOM 0 H LEU A 12 -7.324 -12.141 2.742 1.00 0.43 H new ATOM 0 HA LEU A 12 -6.476 -10.131 4.766 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -9.008 -11.839 4.533 1.00 0.38 H new ATOM 0 HB3 LEU A 12 -8.761 -10.512 5.651 1.00 0.38 H new ATOM 0 HG LEU A 12 -8.849 -10.329 2.601 1.00 0.32 H new ATOM 0 HD11 LEU A 12 -10.821 -8.878 3.082 1.00 0.54 H new ATOM 0 HD12 LEU A 12 -11.047 -10.502 3.776 1.00 0.54 H new ATOM 0 HD13 LEU A 12 -10.587 -9.141 4.826 1.00 0.54 H new ATOM 0 HD21 LEU A 12 -8.539 -7.887 2.939 1.00 0.61 H new ATOM 0 HD22 LEU A 12 -8.340 -8.153 4.687 1.00 0.61 H new ATOM 0 HD23 LEU A 12 -7.134 -8.794 3.546 1.00 0.61 H new ATOM 179 N PHE A 13 -6.565 -13.382 5.080 1.00 0.50 N ATOM 180 CA PHE A 13 -6.151 -14.525 5.961 1.00 0.59 C ATOM 181 C PHE A 13 -4.980 -15.249 5.304 1.00 0.67 C ATOM 182 O PHE A 13 -4.987 -15.487 4.112 1.00 1.58 O ATOM 183 CB PHE A 13 -7.310 -15.535 6.143 1.00 0.58 C ATOM 184 CG PHE A 13 -8.631 -14.824 6.477 1.00 0.52 C ATOM 185 CD1 PHE A 13 -8.646 -13.640 7.194 1.00 0.46 C ATOM 186 CD2 PHE A 13 -9.834 -15.353 6.038 1.00 0.52 C ATOM 187 CE1 PHE A 13 -9.832 -12.996 7.454 1.00 0.39 C ATOM 188 CE2 PHE A 13 -11.021 -14.703 6.301 1.00 0.46 C ATOM 189 CZ PHE A 13 -11.021 -13.525 7.011 1.00 0.39 C ATOM 0 H PHE A 13 -6.852 -13.644 4.137 1.00 0.50 H new ATOM 0 HA PHE A 13 -5.872 -14.128 6.937 1.00 0.59 H new ATOM 0 HB2 PHE A 13 -7.431 -16.120 5.231 1.00 0.58 H new ATOM 0 HB3 PHE A 13 -7.061 -16.236 6.940 1.00 0.58 H new ATOM 0 HD1 PHE A 13 -7.718 -13.219 7.552 1.00 0.46 H new ATOM 0 HD2 PHE A 13 -9.842 -16.281 5.486 1.00 0.52 H new ATOM 0 HE1 PHE A 13 -9.830 -12.070 8.009 1.00 0.39 H new ATOM 0 HE2 PHE A 13 -11.953 -15.120 5.949 1.00 0.46 H new ATOM 0 HZ PHE A 13 -11.951 -13.018 7.220 1.00 0.39 H new ATOM 199 N ASP A 14 -3.996 -15.589 6.090 1.00 0.29 N ATOM 200 CA ASP A 14 -2.819 -16.296 5.516 1.00 0.26 C ATOM 201 C ASP A 14 -3.174 -17.664 4.934 1.00 0.26 C ATOM 202 O ASP A 14 -4.201 -18.236 5.240 1.00 0.35 O ATOM 203 CB ASP A 14 -1.780 -16.493 6.626 1.00 0.34 C ATOM 204 CG ASP A 14 -1.435 -17.978 6.739 1.00 2.38 C ATOM 205 OD1 ASP A 14 -0.665 -18.420 5.902 1.00 4.60 O ATOM 206 OD2 ASP A 14 -1.964 -18.588 7.653 1.00 1.79 O ATOM 0 H ASP A 14 -3.956 -15.410 7.093 1.00 0.29 H new ATOM 0 HA ASP A 14 -2.433 -15.683 4.701 1.00 0.26 H new ATOM 0 HB2 ASP A 14 -0.882 -15.915 6.406 1.00 0.34 H new ATOM 0 HB3 ASP A 14 -2.171 -16.126 7.575 1.00 0.34 H new ATOM 211 N TYR A 15 -2.289 -18.151 4.103 1.00 0.31 N ATOM 212 CA TYR A 15 -2.499 -19.477 3.458 1.00 0.31 C ATOM 213 C TYR A 15 -1.194 -20.271 3.475 1.00 0.34 C ATOM 214 O TYR A 15 -0.143 -19.727 3.757 1.00 0.40 O ATOM 215 CB TYR A 15 -2.881 -19.240 1.993 1.00 0.28 C ATOM 216 CG TYR A 15 -3.696 -20.419 1.473 1.00 0.28 C ATOM 217 CD1 TYR A 15 -3.075 -21.607 1.192 1.00 0.29 C ATOM 218 CD2 TYR A 15 -5.063 -20.330 1.341 1.00 0.33 C ATOM 219 CE1 TYR A 15 -3.780 -22.704 0.810 1.00 0.30 C ATOM 220 CE2 TYR A 15 -5.801 -21.437 0.942 1.00 0.35 C ATOM 221 CZ TYR A 15 -5.161 -22.640 0.677 1.00 0.31 C ATOM 222 OH TYR A 15 -5.881 -23.757 0.300 1.00 0.35 O ATOM 0 H TYR A 15 -1.422 -17.680 3.843 1.00 0.31 H new ATOM 0 HA TYR A 15 -3.276 -20.024 3.991 1.00 0.31 H new ATOM 0 HB2 TYR A 15 -3.458 -18.320 1.903 1.00 0.28 H new ATOM 0 HB3 TYR A 15 -1.982 -19.113 1.389 1.00 0.28 H new ATOM 0 HD1 TYR A 15 -2.000 -21.673 1.276 1.00 0.29 H new ATOM 0 HD2 TYR A 15 -5.564 -19.396 1.548 1.00 0.33 H new ATOM 0 HE1 TYR A 15 -3.264 -23.631 0.609 1.00 0.30 H new ATOM 0 HE2 TYR A 15 -6.873 -21.362 0.838 1.00 0.35 H new ATOM 0 HH TYR A 15 -6.428 -23.544 -0.485 1.00 0.35 H new ATOM 232 N LYS A 16 -1.275 -21.536 3.175 1.00 0.34 N ATOM 233 CA LYS A 16 -0.035 -22.354 3.173 1.00 0.37 C ATOM 234 C LYS A 16 -0.067 -23.536 2.184 1.00 0.25 C ATOM 235 O LYS A 16 0.166 -24.665 2.565 1.00 0.41 O ATOM 236 CB LYS A 16 0.218 -22.871 4.598 1.00 0.61 C ATOM 237 CG LYS A 16 -0.977 -23.704 5.072 1.00 2.16 C ATOM 238 CD LYS A 16 -0.531 -24.617 6.221 1.00 1.76 C ATOM 239 CE LYS A 16 0.035 -25.928 5.656 1.00 3.39 C ATOM 240 NZ LYS A 16 -1.061 -26.828 5.198 1.00 5.13 N ATOM 0 H LYS A 16 -2.133 -22.032 2.935 1.00 0.34 H new ATOM 0 HA LYS A 16 0.775 -21.706 2.837 1.00 0.37 H new ATOM 0 HB2 LYS A 16 1.125 -23.476 4.619 1.00 0.61 H new ATOM 0 HB3 LYS A 16 0.379 -22.032 5.275 1.00 0.61 H new ATOM 0 HG2 LYS A 16 -1.783 -23.050 5.404 1.00 2.16 H new ATOM 0 HG3 LYS A 16 -1.369 -24.301 4.249 1.00 2.16 H new ATOM 0 HD2 LYS A 16 0.225 -24.114 6.824 1.00 1.76 H new ATOM 0 HD3 LYS A 16 -1.375 -24.828 6.878 1.00 1.76 H new ATOM 0 HE2 LYS A 16 0.704 -25.711 4.823 1.00 3.39 H new ATOM 0 HE3 LYS A 16 0.629 -26.431 6.419 1.00 3.39 H new ATOM 0 HZ1 LYS A 16 -0.683 -27.785 5.045 1.00 5.13 H new ATOM 0 HZ2 LYS A 16 -1.807 -26.862 5.922 1.00 5.13 H new ATOM 0 HZ3 LYS A 16 -1.458 -26.466 4.308 1.00 5.13 H new ATOM 254 N ALA A 17 -0.334 -23.255 0.928 1.00 0.10 N ATOM 255 CA ALA A 17 -0.370 -24.362 -0.076 1.00 0.25 C ATOM 256 C ALA A 17 0.959 -24.374 -0.777 1.00 0.28 C ATOM 257 O ALA A 17 1.503 -25.405 -1.104 1.00 0.40 O ATOM 258 CB ALA A 17 -1.425 -24.116 -1.162 1.00 0.33 C ATOM 0 H ALA A 17 -0.525 -22.322 0.562 1.00 0.10 H new ATOM 0 HA ALA A 17 -0.600 -25.290 0.447 1.00 0.25 H new ATOM 0 HB1 ALA A 17 -1.418 -24.944 -1.871 1.00 0.33 H new ATOM 0 HB2 ALA A 17 -2.410 -24.041 -0.702 1.00 0.33 H new ATOM 0 HB3 ALA A 17 -1.198 -23.188 -1.686 1.00 0.33 H new ATOM 264 N GLN A 18 1.421 -23.174 -0.968 1.00 0.25 N ATOM 265 CA GLN A 18 2.729 -22.924 -1.650 1.00 0.34 C ATOM 266 C GLN A 18 2.602 -23.207 -3.140 1.00 0.38 C ATOM 267 O GLN A 18 3.034 -22.428 -3.964 1.00 0.48 O ATOM 268 CB GLN A 18 3.830 -23.840 -1.088 1.00 0.53 C ATOM 269 CG GLN A 18 3.874 -23.771 0.445 1.00 2.51 C ATOM 270 CD GLN A 18 4.872 -24.808 0.953 1.00 2.55 C ATOM 271 OE1 GLN A 18 4.518 -25.923 1.280 1.00 4.46 O ATOM 272 NE2 GLN A 18 6.133 -24.483 1.032 1.00 1.23 N ATOM 0 H GLN A 18 0.935 -22.327 -0.673 1.00 0.25 H new ATOM 0 HA GLN A 18 2.995 -21.881 -1.476 1.00 0.34 H new ATOM 0 HB2 GLN A 18 3.650 -24.867 -1.404 1.00 0.53 H new ATOM 0 HB3 GLN A 18 4.797 -23.546 -1.497 1.00 0.53 H new ATOM 0 HG2 GLN A 18 4.168 -22.773 0.770 1.00 2.51 H new ATOM 0 HG3 GLN A 18 2.885 -23.963 0.860 1.00 2.51 H new ATOM 0 HE21 GLN A 18 6.437 -23.548 0.759 1.00 1.23 H new ATOM 0 HE22 GLN A 18 6.815 -25.164 1.367 1.00 1.23 H new ATOM 281 N ARG A 19 1.993 -24.320 -3.444 1.00 0.40 N ATOM 282 CA ARG A 19 1.804 -24.710 -4.867 1.00 0.59 C ATOM 283 C ARG A 19 1.018 -26.006 -4.941 1.00 0.58 C ATOM 284 O ARG A 19 1.580 -27.062 -5.160 1.00 0.47 O ATOM 285 CB ARG A 19 3.168 -24.941 -5.541 1.00 0.67 C ATOM 286 CG ARG A 19 2.954 -25.055 -7.059 1.00 0.95 C ATOM 287 CD ARG A 19 4.204 -25.651 -7.714 1.00 1.35 C ATOM 288 NE ARG A 19 5.404 -25.245 -6.931 1.00 1.11 N ATOM 289 CZ ARG A 19 6.279 -26.150 -6.586 1.00 0.86 C ATOM 290 NH1 ARG A 19 6.709 -26.985 -7.491 1.00 1.72 N ATOM 291 NH2 ARG A 19 6.697 -26.188 -5.350 1.00 2.69 N ATOM 0 H ARG A 19 1.616 -24.979 -2.763 1.00 0.40 H new ATOM 0 HA ARG A 19 1.268 -23.908 -5.375 1.00 0.59 H new ATOM 0 HB2 ARG A 19 3.845 -24.117 -5.316 1.00 0.67 H new ATOM 0 HB3 ARG A 19 3.631 -25.849 -5.155 1.00 0.67 H new ATOM 0 HG2 ARG A 19 2.088 -25.683 -7.268 1.00 0.95 H new ATOM 0 HG3 ARG A 19 2.744 -24.072 -7.481 1.00 0.95 H new ATOM 0 HD2 ARG A 19 4.128 -26.738 -7.750 1.00 1.35 H new ATOM 0 HD3 ARG A 19 4.291 -25.304 -8.743 1.00 1.35 H new ATOM 0 HE ARG A 19 5.541 -24.269 -6.667 1.00 1.11 H new ATOM 0 HH11 ARG A 19 6.361 -26.923 -8.448 1.00 1.72 H new ATOM 0 HH12 ARG A 19 7.393 -27.700 -7.242 1.00 1.72 H new ATOM 0 HH21 ARG A 19 6.340 -25.517 -4.670 1.00 2.69 H new ATOM 0 HH22 ARG A 19 7.381 -26.889 -5.064 1.00 2.69 H new ATOM 305 N GLU A 20 -0.265 -25.899 -4.749 1.00 0.77 N ATOM 306 CA GLU A 20 -1.121 -27.129 -4.805 1.00 0.90 C ATOM 307 C GLU A 20 -2.212 -26.898 -5.816 1.00 0.77 C ATOM 308 O GLU A 20 -3.087 -27.708 -6.011 1.00 1.07 O ATOM 309 CB GLU A 20 -1.769 -27.343 -3.421 1.00 0.99 C ATOM 310 CG GLU A 20 -3.117 -26.599 -3.327 1.00 0.97 C ATOM 311 CD GLU A 20 -4.258 -27.517 -3.775 1.00 0.96 C ATOM 312 OE1 GLU A 20 -4.287 -28.631 -3.276 1.00 1.11 O ATOM 313 OE2 GLU A 20 -5.035 -27.053 -4.592 1.00 0.99 O ATOM 0 H GLU A 20 -0.760 -25.028 -4.558 1.00 0.77 H new ATOM 0 HA GLU A 20 -0.523 -27.999 -5.078 1.00 0.90 H new ATOM 0 HB2 GLU A 20 -1.923 -28.408 -3.247 1.00 0.99 H new ATOM 0 HB3 GLU A 20 -1.097 -26.987 -2.641 1.00 0.99 H new ATOM 0 HG2 GLU A 20 -3.288 -26.268 -2.303 1.00 0.97 H new ATOM 0 HG3 GLU A 20 -3.092 -25.706 -3.951 1.00 0.97 H new ATOM 320 N ASP A 21 -2.037 -25.781 -6.445 1.00 0.75 N ATOM 321 CA ASP A 21 -2.933 -25.248 -7.489 1.00 0.38 C ATOM 322 C ASP A 21 -3.402 -23.975 -6.800 1.00 0.54 C ATOM 323 O ASP A 21 -4.100 -23.143 -7.338 1.00 1.83 O ATOM 324 CB ASP A 21 -4.120 -26.181 -7.815 1.00 0.38 C ATOM 325 CG ASP A 21 -3.596 -27.474 -8.449 1.00 0.53 C ATOM 326 OD1 ASP A 21 -2.410 -27.710 -8.295 1.00 1.10 O ATOM 327 OD2 ASP A 21 -4.412 -28.149 -9.054 1.00 1.73 O ATOM 0 H ASP A 21 -1.242 -25.170 -6.257 1.00 0.75 H new ATOM 0 HA ASP A 21 -2.453 -25.117 -8.459 1.00 0.38 H new ATOM 0 HB2 ASP A 21 -4.677 -26.409 -6.906 1.00 0.38 H new ATOM 0 HB3 ASP A 21 -4.811 -25.684 -8.496 1.00 0.38 H new ATOM 332 N GLU A 22 -2.947 -23.916 -5.554 1.00 0.42 N ATOM 333 CA GLU A 22 -3.219 -22.798 -4.624 1.00 0.05 C ATOM 334 C GLU A 22 -1.856 -22.375 -4.064 1.00 0.03 C ATOM 335 O GLU A 22 -0.894 -23.085 -4.278 1.00 0.03 O ATOM 336 CB GLU A 22 -4.075 -23.312 -3.462 1.00 0.36 C ATOM 337 CG GLU A 22 -4.608 -22.143 -2.651 1.00 1.07 C ATOM 338 CD GLU A 22 -6.136 -22.207 -2.643 1.00 1.57 C ATOM 339 OE1 GLU A 22 -6.694 -22.034 -3.714 1.00 2.21 O ATOM 340 OE2 GLU A 22 -6.657 -22.447 -1.568 1.00 2.63 O ATOM 0 H GLU A 22 -2.369 -24.649 -5.144 1.00 0.42 H new ATOM 0 HA GLU A 22 -3.736 -21.978 -5.122 1.00 0.05 H new ATOM 0 HB2 GLU A 22 -4.904 -23.907 -3.846 1.00 0.36 H new ATOM 0 HB3 GLU A 22 -3.481 -23.967 -2.824 1.00 0.36 H new ATOM 0 HG2 GLU A 22 -4.223 -22.183 -1.632 1.00 1.07 H new ATOM 0 HG3 GLU A 22 -4.272 -21.200 -3.082 1.00 1.07 H new ATOM 347 N LEU A 23 -1.766 -21.255 -3.366 1.00 0.04 N ATOM 348 CA LEU A 23 -0.416 -20.862 -2.827 1.00 0.06 C ATOM 349 C LEU A 23 -0.447 -20.593 -1.343 1.00 0.09 C ATOM 350 O LEU A 23 -1.479 -20.639 -0.718 1.00 0.33 O ATOM 351 CB LEU A 23 0.122 -19.582 -3.484 1.00 0.10 C ATOM 352 CG LEU A 23 -0.426 -19.432 -4.901 1.00 0.24 C ATOM 353 CD1 LEU A 23 -1.178 -18.110 -5.101 1.00 0.29 C ATOM 354 CD2 LEU A 23 0.766 -19.502 -5.847 1.00 0.29 C ATOM 0 H LEU A 23 -2.536 -20.621 -3.154 1.00 0.04 H new ATOM 0 HA LEU A 23 0.227 -21.713 -3.052 1.00 0.06 H new ATOM 0 HB2 LEU A 23 -0.159 -18.715 -2.886 1.00 0.10 H new ATOM 0 HB3 LEU A 23 1.211 -19.611 -3.511 1.00 0.10 H new ATOM 0 HG LEU A 23 -1.147 -20.226 -5.097 1.00 0.24 H new ATOM 0 HD11 LEU A 23 -1.547 -18.053 -6.125 1.00 0.29 H new ATOM 0 HD12 LEU A 23 -2.019 -18.061 -4.409 1.00 0.29 H new ATOM 0 HD13 LEU A 23 -0.503 -17.275 -4.912 1.00 0.29 H new ATOM 0 HD21 LEU A 23 0.421 -19.399 -6.876 1.00 0.29 H new ATOM 0 HD22 LEU A 23 1.462 -18.696 -5.615 1.00 0.29 H new ATOM 0 HD23 LEU A 23 1.269 -20.461 -5.728 1.00 0.29 H new ATOM 366 N THR A 24 0.705 -20.264 -0.831 1.00 0.23 N ATOM 367 CA THR A 24 0.838 -19.970 0.603 1.00 0.27 C ATOM 368 C THR A 24 0.865 -18.484 0.793 1.00 0.29 C ATOM 369 O THR A 24 1.421 -17.982 1.753 1.00 0.33 O ATOM 370 CB THR A 24 2.176 -20.524 1.087 1.00 0.35 C ATOM 371 OG1 THR A 24 2.322 -20.064 2.421 1.00 0.42 O ATOM 372 CG2 THR A 24 3.326 -19.854 0.335 1.00 0.40 C ATOM 0 H THR A 24 1.571 -20.188 -1.365 1.00 0.23 H new ATOM 0 HA THR A 24 0.007 -20.413 1.152 1.00 0.27 H new ATOM 0 HB THR A 24 2.196 -21.606 0.961 1.00 0.35 H new ATOM 0 HG1 THR A 24 1.573 -19.473 2.647 1.00 0.42 H new ATOM 0 HG21 THR A 24 4.275 -20.257 0.688 1.00 0.40 H new ATOM 0 HG22 THR A 24 3.224 -20.048 -0.733 1.00 0.40 H new ATOM 0 HG23 THR A 24 3.299 -18.779 0.513 1.00 0.40 H new ATOM 380 N PHE A 25 0.290 -17.806 -0.150 1.00 0.27 N ATOM 381 CA PHE A 25 0.272 -16.346 -0.047 1.00 0.28 C ATOM 382 C PHE A 25 -0.124 -15.973 1.379 1.00 0.25 C ATOM 383 O PHE A 25 -0.971 -16.612 1.974 1.00 0.22 O ATOM 384 CB PHE A 25 -0.708 -15.795 -1.078 1.00 0.26 C ATOM 385 CG PHE A 25 -2.068 -16.440 -0.914 1.00 0.19 C ATOM 386 CD1 PHE A 25 -2.913 -16.036 0.092 1.00 0.17 C ATOM 387 CD2 PHE A 25 -2.486 -17.399 -1.810 1.00 0.23 C ATOM 388 CE1 PHE A 25 -4.171 -16.582 0.194 1.00 0.22 C ATOM 389 CE2 PHE A 25 -3.724 -17.946 -1.719 1.00 0.23 C ATOM 390 CZ PHE A 25 -4.574 -17.542 -0.711 1.00 0.24 C ATOM 0 H PHE A 25 -0.161 -18.201 -0.975 1.00 0.27 H new ATOM 0 HA PHE A 25 1.251 -15.915 -0.254 1.00 0.28 H new ATOM 0 HB2 PHE A 25 -0.795 -14.714 -0.964 1.00 0.26 H new ATOM 0 HB3 PHE A 25 -0.330 -15.980 -2.083 1.00 0.26 H new ATOM 0 HD1 PHE A 25 -2.589 -15.290 0.802 1.00 0.17 H new ATOM 0 HD2 PHE A 25 -1.819 -17.720 -2.596 1.00 0.23 H new ATOM 0 HE1 PHE A 25 -4.840 -16.261 0.979 1.00 0.22 H new ATOM 0 HE2 PHE A 25 -4.042 -18.693 -2.431 1.00 0.23 H new ATOM 0 HZ PHE A 25 -5.558 -17.979 -0.630 1.00 0.24 H new ATOM 400 N ILE A 26 0.490 -14.954 1.902 1.00 0.26 N ATOM 401 CA ILE A 26 0.171 -14.534 3.297 1.00 0.21 C ATOM 402 C ILE A 26 -0.703 -13.300 3.351 1.00 0.13 C ATOM 403 O ILE A 26 -1.049 -12.727 2.338 1.00 0.16 O ATOM 404 CB ILE A 26 1.485 -14.195 3.996 1.00 0.26 C ATOM 405 CG1 ILE A 26 2.417 -13.470 3.015 1.00 0.31 C ATOM 406 CG2 ILE A 26 2.146 -15.505 4.451 1.00 0.19 C ATOM 407 CD1 ILE A 26 3.646 -12.934 3.762 1.00 0.36 C ATOM 0 H ILE A 26 1.198 -14.393 1.428 1.00 0.26 H new ATOM 0 HA ILE A 26 -0.367 -15.352 3.775 1.00 0.21 H new ATOM 0 HB ILE A 26 1.296 -13.550 4.854 1.00 0.26 H new ATOM 0 HG12 ILE A 26 2.730 -14.153 2.225 1.00 0.31 H new ATOM 0 HG13 ILE A 26 1.886 -12.648 2.535 1.00 0.31 H new ATOM 0 HG21 ILE A 26 3.087 -15.282 4.953 1.00 0.19 H new ATOM 0 HG22 ILE A 26 1.482 -16.027 5.140 1.00 0.19 H new ATOM 0 HG23 ILE A 26 2.338 -16.136 3.583 1.00 0.19 H new ATOM 0 HD11 ILE A 26 4.303 -12.421 3.060 1.00 0.36 H new ATOM 0 HD12 ILE A 26 3.326 -12.236 4.536 1.00 0.36 H new ATOM 0 HD13 ILE A 26 4.183 -13.764 4.221 1.00 0.36 H new ATOM 419 N LYS A 27 -1.052 -12.913 4.550 1.00 0.14 N ATOM 420 CA LYS A 27 -1.894 -11.722 4.686 1.00 0.11 C ATOM 421 C LYS A 27 -1.114 -10.528 4.214 1.00 0.13 C ATOM 422 O LYS A 27 -0.060 -10.234 4.736 1.00 0.26 O ATOM 423 CB LYS A 27 -2.271 -11.493 6.152 1.00 0.12 C ATOM 424 CG LYS A 27 -3.265 -10.320 6.227 1.00 0.26 C ATOM 425 CD LYS A 27 -3.043 -9.549 7.527 1.00 1.25 C ATOM 426 CE LYS A 27 -4.208 -8.576 7.728 1.00 2.21 C ATOM 427 NZ LYS A 27 -4.970 -8.411 6.459 1.00 2.80 N ATOM 0 H LYS A 27 -0.787 -13.373 5.421 1.00 0.14 H new ATOM 0 HA LYS A 27 -2.801 -11.862 4.097 1.00 0.11 H new ATOM 0 HB2 LYS A 27 -2.717 -12.394 6.573 1.00 0.12 H new ATOM 0 HB3 LYS A 27 -1.381 -11.273 6.741 1.00 0.12 H new ATOM 0 HG2 LYS A 27 -3.129 -9.659 5.371 1.00 0.26 H new ATOM 0 HG3 LYS A 27 -4.288 -10.693 6.183 1.00 0.26 H new ATOM 0 HD2 LYS A 27 -2.978 -10.239 8.369 1.00 1.25 H new ATOM 0 HD3 LYS A 27 -2.099 -9.005 7.487 1.00 1.25 H new ATOM 0 HE2 LYS A 27 -4.869 -8.947 8.511 1.00 2.21 H new ATOM 0 HE3 LYS A 27 -3.830 -7.609 8.061 1.00 2.21 H new ATOM 0 HZ1 LYS A 27 -5.586 -7.576 6.530 1.00 2.80 H new ATOM 0 HZ2 LYS A 27 -4.306 -8.285 5.669 1.00 2.80 H new ATOM 0 HZ3 LYS A 27 -5.552 -9.257 6.291 1.00 2.80 H new ATOM 441 N SER A 28 -1.675 -9.918 3.225 1.00 0.09 N ATOM 442 CA SER A 28 -1.104 -8.710 2.579 1.00 0.06 C ATOM 443 C SER A 28 -0.632 -9.049 1.178 1.00 0.08 C ATOM 444 O SER A 28 -0.393 -8.172 0.373 1.00 0.04 O ATOM 445 CB SER A 28 0.084 -8.125 3.363 1.00 0.10 C ATOM 446 OG SER A 28 -0.408 -7.963 4.686 1.00 2.22 O ATOM 0 H SER A 28 -2.557 -10.223 2.812 1.00 0.09 H new ATOM 0 HA SER A 28 -1.898 -7.963 2.555 1.00 0.06 H new ATOM 0 HB2 SER A 28 0.944 -8.794 3.339 1.00 0.10 H new ATOM 0 HB3 SER A 28 0.408 -7.174 2.941 1.00 0.10 H new ATOM 0 HG SER A 28 0.038 -8.601 5.281 1.00 2.22 H new ATOM 452 N ALA A 29 -0.499 -10.321 0.914 1.00 0.20 N ATOM 453 CA ALA A 29 -0.047 -10.731 -0.433 1.00 0.23 C ATOM 454 C ALA A 29 -0.957 -10.077 -1.454 1.00 0.21 C ATOM 455 O ALA A 29 -2.082 -9.771 -1.142 1.00 0.35 O ATOM 456 CB ALA A 29 -0.172 -12.251 -0.549 1.00 0.28 C ATOM 0 H ALA A 29 -0.683 -11.081 1.569 1.00 0.20 H new ATOM 0 HA ALA A 29 0.988 -10.432 -0.602 1.00 0.23 H new ATOM 0 HB1 ALA A 29 0.158 -12.569 -1.538 1.00 0.28 H new ATOM 0 HB2 ALA A 29 0.449 -12.726 0.211 1.00 0.28 H new ATOM 0 HB3 ALA A 29 -1.212 -12.543 -0.402 1.00 0.28 H new ATOM 462 N ILE A 30 -0.465 -9.864 -2.640 1.00 0.24 N ATOM 463 CA ILE A 30 -1.314 -9.224 -3.669 1.00 0.26 C ATOM 464 C ILE A 30 -1.273 -10.003 -4.984 1.00 0.24 C ATOM 465 O ILE A 30 -0.333 -9.900 -5.748 1.00 0.18 O ATOM 466 CB ILE A 30 -0.747 -7.826 -3.894 1.00 0.23 C ATOM 467 CG1 ILE A 30 -0.089 -7.319 -2.611 1.00 0.24 C ATOM 468 CG2 ILE A 30 -1.904 -6.887 -4.249 1.00 0.25 C ATOM 469 CD1 ILE A 30 0.290 -5.848 -2.786 1.00 0.26 C ATOM 0 H ILE A 30 0.481 -10.104 -2.936 1.00 0.24 H new ATOM 0 HA ILE A 30 -2.352 -9.197 -3.336 1.00 0.26 H new ATOM 0 HB ILE A 30 -0.008 -7.856 -4.695 1.00 0.23 H new ATOM 0 HG12 ILE A 30 -0.771 -7.433 -1.769 1.00 0.24 H new ATOM 0 HG13 ILE A 30 0.798 -7.911 -2.385 1.00 0.24 H new ATOM 0 HG21 ILE A 30 -1.519 -5.881 -4.414 1.00 0.25 H new ATOM 0 HG22 ILE A 30 -2.395 -7.241 -5.156 1.00 0.25 H new ATOM 0 HG23 ILE A 30 -2.623 -6.870 -3.430 1.00 0.25 H new ATOM 0 HD11 ILE A 30 0.760 -5.482 -1.873 1.00 0.26 H new ATOM 0 HD12 ILE A 30 0.987 -5.748 -3.618 1.00 0.26 H new ATOM 0 HD13 ILE A 30 -0.607 -5.263 -2.992 1.00 0.26 H new ATOM 481 N ILE A 31 -2.298 -10.769 -5.226 1.00 0.31 N ATOM 482 CA ILE A 31 -2.333 -11.558 -6.482 1.00 0.29 C ATOM 483 C ILE A 31 -2.881 -10.689 -7.633 1.00 0.24 C ATOM 484 O ILE A 31 -3.657 -9.787 -7.388 1.00 0.26 O ATOM 485 CB ILE A 31 -3.231 -12.778 -6.250 1.00 0.38 C ATOM 486 CG1 ILE A 31 -2.734 -13.559 -5.000 1.00 0.39 C ATOM 487 CG2 ILE A 31 -3.164 -13.656 -7.520 1.00 0.42 C ATOM 488 CD1 ILE A 31 -3.904 -13.824 -4.051 1.00 0.66 C ATOM 0 H ILE A 31 -3.106 -10.881 -4.613 1.00 0.31 H new ATOM 0 HA ILE A 31 -1.330 -11.885 -6.757 1.00 0.29 H new ATOM 0 HB ILE A 31 -4.263 -12.480 -6.066 1.00 0.38 H new ATOM 0 HG12 ILE A 31 -2.282 -14.503 -5.306 1.00 0.39 H new ATOM 0 HG13 ILE A 31 -1.961 -12.987 -4.487 1.00 0.39 H new ATOM 0 HG21 ILE A 31 -3.794 -14.536 -7.388 1.00 0.42 H new ATOM 0 HG22 ILE A 31 -3.516 -13.083 -8.378 1.00 0.42 H new ATOM 0 HG23 ILE A 31 -2.134 -13.970 -7.692 1.00 0.42 H new ATOM 0 HD11 ILE A 31 -3.548 -14.371 -3.178 1.00 0.66 H new ATOM 0 HD12 ILE A 31 -4.336 -12.875 -3.733 1.00 0.66 H new ATOM 0 HD13 ILE A 31 -4.663 -14.414 -4.565 1.00 0.66 H new ATOM 500 N GLN A 32 -2.476 -10.969 -8.863 1.00 0.19 N ATOM 501 CA GLN A 32 -2.970 -10.158 -10.020 1.00 0.15 C ATOM 502 C GLN A 32 -3.805 -11.025 -10.972 1.00 0.17 C ATOM 503 O GLN A 32 -3.860 -12.225 -10.808 1.00 0.09 O ATOM 504 CB GLN A 32 -1.734 -9.645 -10.766 1.00 0.15 C ATOM 505 CG GLN A 32 -2.181 -8.791 -11.942 1.00 2.35 C ATOM 506 CD GLN A 32 -1.115 -7.733 -12.239 1.00 1.86 C ATOM 507 OE1 GLN A 32 -0.140 -7.988 -12.917 1.00 1.23 O ATOM 508 NE2 GLN A 32 -1.268 -6.535 -11.748 1.00 2.29 N ATOM 0 H GLN A 32 -1.830 -11.720 -9.105 1.00 0.19 H new ATOM 0 HA GLN A 32 -3.598 -9.340 -9.666 1.00 0.15 H new ATOM 0 HB2 GLN A 32 -1.105 -9.060 -10.094 1.00 0.15 H new ATOM 0 HB3 GLN A 32 -1.132 -10.483 -11.117 1.00 0.15 H new ATOM 0 HG2 GLN A 32 -2.342 -9.417 -12.820 1.00 2.35 H new ATOM 0 HG3 GLN A 32 -3.133 -8.310 -11.715 1.00 2.35 H new ATOM 0 HE21 GLN A 32 -2.086 -6.318 -11.178 1.00 2.29 H new ATOM 0 HE22 GLN A 32 -0.570 -5.815 -11.934 1.00 2.29 H new ATOM 517 N ASN A 33 -4.432 -10.415 -11.960 1.00 0.39 N ATOM 518 CA ASN A 33 -5.253 -11.229 -12.902 1.00 0.46 C ATOM 519 C ASN A 33 -6.139 -12.138 -12.063 1.00 0.40 C ATOM 520 O ASN A 33 -5.856 -13.297 -11.864 1.00 0.48 O ATOM 521 CB ASN A 33 -4.314 -12.062 -13.802 1.00 0.49 C ATOM 522 CG ASN A 33 -4.898 -12.153 -15.218 1.00 0.85 C ATOM 523 OD1 ASN A 33 -5.564 -11.252 -15.691 1.00 1.55 O ATOM 524 ND2 ASN A 33 -4.663 -13.220 -15.933 1.00 1.31 N ATOM 0 H ASN A 33 -4.408 -9.412 -12.146 1.00 0.39 H new ATOM 0 HA ASN A 33 -5.868 -10.598 -13.543 1.00 0.46 H new ATOM 0 HB2 ASN A 33 -3.326 -11.604 -13.835 1.00 0.49 H new ATOM 0 HB3 ASN A 33 -4.188 -13.061 -13.386 1.00 0.49 H new ATOM 0 HD21 ASN A 33 -5.037 -13.292 -16.879 1.00 1.31 H new ATOM 0 HD22 ASN A 33 -4.106 -13.981 -15.545 1.00 1.31 H new ATOM 531 N VAL A 34 -7.201 -11.570 -11.588 1.00 0.44 N ATOM 532 CA VAL A 34 -8.139 -12.344 -10.745 1.00 0.40 C ATOM 533 C VAL A 34 -9.471 -12.665 -11.423 1.00 0.47 C ATOM 534 O VAL A 34 -9.867 -12.007 -12.364 1.00 0.59 O ATOM 535 CB VAL A 34 -8.394 -11.451 -9.549 1.00 0.41 C ATOM 536 CG1 VAL A 34 -9.459 -10.419 -9.921 1.00 1.60 C ATOM 537 CG2 VAL A 34 -8.860 -12.277 -8.370 1.00 1.06 C ATOM 0 H VAL A 34 -7.462 -10.597 -11.748 1.00 0.44 H new ATOM 0 HA VAL A 34 -7.703 -13.314 -10.505 1.00 0.40 H new ATOM 0 HB VAL A 34 -7.471 -10.943 -9.269 1.00 0.41 H new ATOM 0 HG11 VAL A 34 -9.651 -9.770 -9.067 1.00 1.60 H new ATOM 0 HG12 VAL A 34 -9.107 -9.819 -10.760 1.00 1.60 H new ATOM 0 HG13 VAL A 34 -10.379 -10.931 -10.202 1.00 1.60 H new ATOM 0 HG21 VAL A 34 -9.040 -11.624 -7.516 1.00 1.06 H new ATOM 0 HG22 VAL A 34 -9.783 -12.795 -8.631 1.00 1.06 H new ATOM 0 HG23 VAL A 34 -8.094 -13.008 -8.112 1.00 1.06 H new ATOM 547 N GLU A 35 -10.139 -13.675 -10.900 1.00 0.43 N ATOM 548 CA GLU A 35 -11.456 -14.089 -11.470 1.00 0.51 C ATOM 549 C GLU A 35 -12.075 -15.235 -10.652 1.00 0.40 C ATOM 550 O GLU A 35 -11.738 -16.387 -10.843 1.00 0.26 O ATOM 551 CB GLU A 35 -11.240 -14.586 -12.914 1.00 0.66 C ATOM 552 CG GLU A 35 -12.539 -14.458 -13.724 1.00 0.96 C ATOM 553 CD GLU A 35 -12.196 -14.452 -15.214 1.00 1.08 C ATOM 554 OE1 GLU A 35 -11.977 -15.539 -15.724 1.00 2.20 O ATOM 555 OE2 GLU A 35 -12.172 -13.360 -15.758 1.00 0.53 O ATOM 0 H GLU A 35 -9.823 -14.226 -10.102 1.00 0.43 H new ATOM 0 HA GLU A 35 -12.128 -13.231 -11.445 1.00 0.51 H new ATOM 0 HB2 GLU A 35 -10.449 -14.007 -13.390 1.00 0.66 H new ATOM 0 HB3 GLU A 35 -10.912 -15.625 -12.902 1.00 0.66 H new ATOM 0 HG2 GLU A 35 -13.209 -15.287 -13.495 1.00 0.96 H new ATOM 0 HG3 GLU A 35 -13.062 -13.541 -13.454 1.00 0.96 H new ATOM 562 N LYS A 36 -12.965 -14.897 -9.746 1.00 0.51 N ATOM 563 CA LYS A 36 -13.615 -15.956 -8.912 1.00 0.50 C ATOM 564 C LYS A 36 -13.989 -17.152 -9.772 1.00 0.39 C ATOM 565 O LYS A 36 -14.026 -17.060 -10.983 1.00 0.35 O ATOM 566 CB LYS A 36 -14.885 -15.369 -8.281 1.00 0.67 C ATOM 567 CG LYS A 36 -14.755 -13.848 -8.213 1.00 0.79 C ATOM 568 CD LYS A 36 -15.764 -13.309 -7.200 1.00 0.97 C ATOM 569 CE LYS A 36 -15.712 -11.782 -7.210 1.00 1.01 C ATOM 570 NZ LYS A 36 -16.881 -11.221 -6.478 1.00 1.84 N ATOM 0 H LYS A 36 -13.266 -13.942 -9.551 1.00 0.51 H new ATOM 0 HA LYS A 36 -12.921 -16.285 -8.139 1.00 0.50 H new ATOM 0 HB2 LYS A 36 -15.759 -15.645 -8.870 1.00 0.67 H new ATOM 0 HB3 LYS A 36 -15.032 -15.779 -7.282 1.00 0.67 H new ATOM 0 HG2 LYS A 36 -13.742 -13.569 -7.921 1.00 0.79 H new ATOM 0 HG3 LYS A 36 -14.936 -13.410 -9.195 1.00 0.79 H new ATOM 0 HD2 LYS A 36 -16.768 -13.653 -7.449 1.00 0.97 H new ATOM 0 HD3 LYS A 36 -15.536 -13.687 -6.203 1.00 0.97 H new ATOM 0 HE2 LYS A 36 -14.786 -11.440 -6.748 1.00 1.01 H new ATOM 0 HE3 LYS A 36 -15.709 -11.418 -8.237 1.00 1.01 H new ATOM 0 HZ1 LYS A 36 -16.834 -10.182 -6.492 1.00 1.84 H new ATOM 0 HZ2 LYS A 36 -17.760 -11.534 -6.937 1.00 1.84 H new ATOM 0 HZ3 LYS A 36 -16.867 -11.555 -5.493 1.00 1.84 H new ATOM 623 N GLY A 40 -16.541 -19.790 -5.675 1.00 0.65 N ATOM 624 CA GLY A 40 -15.833 -18.924 -4.696 1.00 0.32 C ATOM 625 C GLY A 40 -14.335 -19.227 -4.678 1.00 0.26 C ATOM 626 O GLY A 40 -13.756 -19.399 -3.624 1.00 0.23 O ATOM 0 HA2 GLY A 40 -15.992 -17.876 -4.950 1.00 0.32 H new ATOM 0 HA3 GLY A 40 -16.251 -19.078 -3.701 1.00 0.32 H new ATOM 630 N TRP A 41 -13.742 -19.292 -5.843 1.00 0.29 N ATOM 631 CA TRP A 41 -12.284 -19.581 -5.915 1.00 0.25 C ATOM 632 C TRP A 41 -11.689 -18.586 -6.877 1.00 0.28 C ATOM 633 O TRP A 41 -12.222 -18.361 -7.935 1.00 0.40 O ATOM 634 CB TRP A 41 -12.093 -21.044 -6.307 1.00 0.30 C ATOM 635 CG TRP A 41 -12.646 -21.795 -5.102 1.00 0.30 C ATOM 636 CD1 TRP A 41 -13.956 -22.027 -4.924 1.00 0.28 C ATOM 637 CD2 TRP A 41 -12.011 -21.931 -3.930 1.00 0.30 C ATOM 638 NE1 TRP A 41 -14.071 -22.261 -3.618 1.00 0.28 N ATOM 639 CE2 TRP A 41 -12.912 -22.213 -2.919 1.00 0.28 C ATOM 640 CE3 TRP A 41 -10.667 -21.806 -3.632 1.00 0.31 C ATOM 641 CZ2 TRP A 41 -12.480 -22.339 -1.612 1.00 0.28 C ATOM 642 CZ3 TRP A 41 -10.228 -21.941 -2.330 1.00 0.29 C ATOM 643 CH2 TRP A 41 -11.140 -22.204 -1.312 1.00 0.28 C ATOM 0 H TRP A 41 -14.205 -19.158 -6.742 1.00 0.29 H new ATOM 0 HA TRP A 41 -11.767 -19.464 -4.963 1.00 0.25 H new ATOM 0 HB2 TRP A 41 -12.634 -21.291 -7.220 1.00 0.30 H new ATOM 0 HB3 TRP A 41 -11.044 -21.281 -6.484 1.00 0.30 H new ATOM 0 HD1 TRP A 41 -14.738 -22.024 -5.669 1.00 0.28 H new ATOM 0 HE1 TRP A 41 -14.968 -22.462 -3.176 1.00 0.28 H new ATOM 0 HE3 TRP A 41 -9.958 -21.602 -4.421 1.00 0.31 H new ATOM 0 HZ2 TRP A 41 -13.191 -22.543 -0.826 1.00 0.28 H new ATOM 0 HZ3 TRP A 41 -9.177 -21.843 -2.101 1.00 0.29 H new ATOM 0 HH2 TRP A 41 -10.800 -22.302 -0.292 1.00 0.28 H new ATOM 654 N TRP A 42 -10.589 -18.018 -6.491 1.00 0.23 N ATOM 655 CA TRP A 42 -9.941 -17.010 -7.347 1.00 0.24 C ATOM 656 C TRP A 42 -8.640 -17.427 -8.036 1.00 0.26 C ATOM 657 O TRP A 42 -7.782 -17.991 -7.411 1.00 0.68 O ATOM 658 CB TRP A 42 -9.536 -15.929 -6.364 1.00 0.24 C ATOM 659 CG TRP A 42 -10.763 -15.342 -5.671 1.00 0.28 C ATOM 660 CD1 TRP A 42 -11.829 -16.058 -5.269 1.00 0.25 C ATOM 661 CD2 TRP A 42 -11.004 -14.055 -5.546 1.00 0.36 C ATOM 662 NE1 TRP A 42 -12.711 -15.116 -4.972 1.00 0.31 N ATOM 663 CE2 TRP A 42 -12.283 -13.851 -5.099 1.00 0.38 C ATOM 664 CE3 TRP A 42 -10.152 -12.995 -5.703 1.00 0.44 C ATOM 665 CZ2 TRP A 42 -12.734 -12.592 -4.828 1.00 0.47 C ATOM 666 CZ3 TRP A 42 -10.600 -11.719 -5.425 1.00 0.53 C ATOM 667 CH2 TRP A 42 -11.894 -11.517 -4.985 1.00 0.54 C ATOM 0 H TRP A 42 -10.111 -18.213 -5.612 1.00 0.23 H new ATOM 0 HA TRP A 42 -10.637 -16.759 -8.148 1.00 0.24 H new ATOM 0 HB2 TRP A 42 -8.856 -16.343 -5.620 1.00 0.24 H new ATOM 0 HB3 TRP A 42 -8.995 -15.140 -6.886 1.00 0.24 H new ATOM 0 HD1 TRP A 42 -11.938 -17.131 -5.205 1.00 0.25 H new ATOM 0 HE1 TRP A 42 -13.658 -15.339 -4.665 1.00 0.31 H new ATOM 0 HE3 TRP A 42 -9.139 -13.155 -6.041 1.00 0.44 H new ATOM 0 HZ2 TRP A 42 -13.749 -12.441 -4.491 1.00 0.47 H new ATOM 0 HZ3 TRP A 42 -9.937 -10.876 -5.552 1.00 0.53 H new ATOM 0 HH2 TRP A 42 -12.243 -10.519 -4.766 1.00 0.54 H new ATOM 678 N ARG A 43 -8.490 -17.068 -9.292 1.00 0.32 N ATOM 679 CA ARG A 43 -7.233 -17.436 -10.025 1.00 0.35 C ATOM 680 C ARG A 43 -6.341 -16.198 -10.126 1.00 0.36 C ATOM 681 O ARG A 43 -6.729 -15.140 -9.702 1.00 0.36 O ATOM 682 CB ARG A 43 -7.562 -17.871 -11.459 1.00 0.36 C ATOM 683 CG ARG A 43 -7.806 -19.389 -11.550 1.00 0.82 C ATOM 684 CD ARG A 43 -6.771 -20.028 -12.486 1.00 0.84 C ATOM 685 NE ARG A 43 -7.178 -21.439 -12.779 1.00 0.43 N ATOM 686 CZ ARG A 43 -6.786 -22.425 -12.010 1.00 2.28 C ATOM 687 NH1 ARG A 43 -5.886 -22.216 -11.083 1.00 4.62 N ATOM 688 NH2 ARG A 43 -7.311 -23.604 -12.203 1.00 2.42 N ATOM 0 H ARG A 43 -9.175 -16.542 -9.836 1.00 0.32 H new ATOM 0 HA ARG A 43 -6.741 -18.246 -9.487 1.00 0.35 H new ATOM 0 HB2 ARG A 43 -8.447 -17.338 -11.807 1.00 0.36 H new ATOM 0 HB3 ARG A 43 -6.742 -17.594 -12.121 1.00 0.36 H new ATOM 0 HG2 ARG A 43 -7.739 -19.837 -10.559 1.00 0.82 H new ATOM 0 HG3 ARG A 43 -8.813 -19.583 -11.920 1.00 0.82 H new ATOM 0 HD2 ARG A 43 -6.699 -19.458 -13.412 1.00 0.84 H new ATOM 0 HD3 ARG A 43 -5.784 -20.010 -12.023 1.00 0.84 H new ATOM 0 HE ARG A 43 -7.768 -21.635 -13.588 1.00 0.43 H new ATOM 0 HH11 ARG A 43 -5.489 -21.285 -10.958 1.00 4.62 H new ATOM 0 HH12 ARG A 43 -5.582 -22.984 -10.485 1.00 4.62 H new ATOM 0 HH21 ARG A 43 -8.007 -23.739 -12.937 1.00 2.42 H new ATOM 0 HH22 ARG A 43 -7.026 -24.391 -11.620 1.00 2.42 H new ATOM 702 N GLY A 44 -5.158 -16.349 -10.679 1.00 0.37 N ATOM 703 CA GLY A 44 -4.229 -15.183 -10.812 1.00 0.40 C ATOM 704 C GLY A 44 -2.808 -15.566 -10.358 1.00 0.41 C ATOM 705 O GLY A 44 -2.615 -16.416 -9.512 1.00 0.49 O ATOM 0 H GLY A 44 -4.798 -17.231 -11.043 1.00 0.37 H new ATOM 0 HA2 GLY A 44 -4.207 -14.846 -11.848 1.00 0.40 H new ATOM 0 HA3 GLY A 44 -4.595 -14.349 -10.213 1.00 0.40 H new ATOM 709 N ASP A 45 -1.852 -14.923 -10.962 1.00 0.33 N ATOM 710 CA ASP A 45 -0.414 -15.181 -10.637 1.00 0.34 C ATOM 711 C ASP A 45 0.027 -14.558 -9.308 1.00 0.36 C ATOM 712 O ASP A 45 -0.283 -13.421 -9.014 1.00 0.75 O ATOM 713 CB ASP A 45 0.425 -14.542 -11.754 1.00 0.46 C ATOM 714 CG ASP A 45 1.916 -14.700 -11.439 1.00 1.96 C ATOM 715 OD1 ASP A 45 2.201 -15.415 -10.492 1.00 2.24 O ATOM 716 OD2 ASP A 45 2.688 -14.091 -12.163 1.00 3.34 O ATOM 0 H ASP A 45 -2.004 -14.216 -11.681 1.00 0.33 H new ATOM 0 HA ASP A 45 -0.276 -16.259 -10.553 1.00 0.34 H new ATOM 0 HB2 ASP A 45 0.194 -15.013 -12.709 1.00 0.46 H new ATOM 0 HB3 ASP A 45 0.174 -13.486 -11.850 1.00 0.46 H new ATOM 721 N TYR A 46 0.775 -15.321 -8.549 1.00 0.38 N ATOM 722 CA TYR A 46 1.271 -14.829 -7.233 1.00 0.35 C ATOM 723 C TYR A 46 2.766 -15.097 -7.111 1.00 0.41 C ATOM 724 O TYR A 46 3.182 -15.981 -6.389 1.00 0.64 O ATOM 725 CB TYR A 46 0.545 -15.589 -6.108 1.00 0.35 C ATOM 726 CG TYR A 46 0.983 -14.999 -4.764 1.00 0.41 C ATOM 727 CD1 TYR A 46 0.964 -13.631 -4.582 1.00 0.41 C ATOM 728 CD2 TYR A 46 1.562 -15.789 -3.776 1.00 0.49 C ATOM 729 CE1 TYR A 46 1.525 -13.064 -3.481 1.00 0.46 C ATOM 730 CE2 TYR A 46 2.127 -15.207 -2.666 1.00 0.56 C ATOM 731 CZ TYR A 46 2.114 -13.839 -2.507 1.00 0.54 C ATOM 732 OH TYR A 46 2.697 -13.259 -1.400 1.00 0.62 O ATOM 0 H TYR A 46 1.063 -16.269 -8.789 1.00 0.38 H new ATOM 0 HA TYR A 46 1.082 -13.758 -7.155 1.00 0.35 H new ATOM 0 HB2 TYR A 46 -0.535 -15.501 -6.227 1.00 0.35 H new ATOM 0 HB3 TYR A 46 0.785 -16.651 -6.152 1.00 0.35 H new ATOM 0 HD1 TYR A 46 0.497 -13.002 -5.325 1.00 0.41 H new ATOM 0 HD2 TYR A 46 1.568 -16.864 -3.881 1.00 0.49 H new ATOM 0 HE1 TYR A 46 1.508 -11.990 -3.369 1.00 0.46 H new ATOM 0 HE2 TYR A 46 2.586 -15.829 -1.911 1.00 0.56 H new ATOM 0 HH TYR A 46 3.062 -13.958 -0.818 1.00 0.62 H new ATOM 778 N LYS A 50 1.665 -19.024 -11.905 1.00 0.30 N ATOM 779 CA LYS A 50 0.771 -18.263 -12.795 1.00 0.21 C ATOM 780 C LYS A 50 -0.643 -18.819 -12.848 1.00 0.31 C ATOM 781 O LYS A 50 -0.900 -19.837 -13.454 1.00 0.62 O ATOM 782 CB LYS A 50 1.346 -18.245 -14.205 1.00 0.33 C ATOM 783 CG LYS A 50 1.172 -16.825 -14.747 1.00 0.46 C ATOM 784 CD LYS A 50 1.468 -16.809 -16.248 1.00 0.97 C ATOM 785 CE LYS A 50 0.166 -16.542 -17.009 1.00 1.25 C ATOM 786 NZ LYS A 50 -0.298 -15.147 -16.776 1.00 2.26 N ATOM 0 HA LYS A 50 0.708 -17.256 -12.382 1.00 0.21 H new ATOM 0 HB2 LYS A 50 2.399 -18.526 -14.195 1.00 0.33 H new ATOM 0 HB3 LYS A 50 0.830 -18.965 -14.840 1.00 0.33 H new ATOM 0 HG2 LYS A 50 0.156 -16.477 -14.563 1.00 0.46 H new ATOM 0 HG3 LYS A 50 1.843 -16.141 -14.226 1.00 0.46 H new ATOM 0 HD2 LYS A 50 2.204 -16.039 -16.479 1.00 0.97 H new ATOM 0 HD3 LYS A 50 1.897 -17.762 -16.558 1.00 0.97 H new ATOM 0 HE2 LYS A 50 0.321 -16.707 -18.075 1.00 1.25 H new ATOM 0 HE3 LYS A 50 -0.602 -17.245 -16.686 1.00 1.25 H new ATOM 0 HZ1 LYS A 50 -0.905 -14.847 -17.565 1.00 2.26 H new ATOM 0 HZ2 LYS A 50 -0.838 -15.105 -15.888 1.00 2.26 H new ATOM 0 HZ3 LYS A 50 0.524 -14.514 -16.711 1.00 2.26 H new ATOM 800 N GLN A 51 -1.512 -18.128 -12.167 1.00 0.28 N ATOM 801 CA GLN A 51 -2.948 -18.518 -12.110 1.00 0.39 C ATOM 802 C GLN A 51 -3.226 -19.782 -11.317 1.00 0.21 C ATOM 803 O GLN A 51 -3.580 -20.807 -11.868 1.00 0.27 O ATOM 804 CB GLN A 51 -3.484 -18.698 -13.540 1.00 0.62 C ATOM 805 CG GLN A 51 -3.013 -17.529 -14.407 1.00 0.65 C ATOM 806 CD GLN A 51 -4.091 -17.201 -15.447 1.00 1.12 C ATOM 807 OE1 GLN A 51 -4.504 -18.045 -16.217 1.00 1.50 O ATOM 808 NE2 GLN A 51 -4.569 -15.986 -15.506 1.00 1.48 N ATOM 0 H GLN A 51 -1.282 -17.289 -11.635 1.00 0.28 H new ATOM 0 HA GLN A 51 -3.457 -17.709 -11.586 1.00 0.39 H new ATOM 0 HB2 GLN A 51 -3.130 -19.641 -13.957 1.00 0.62 H new ATOM 0 HB3 GLN A 51 -4.573 -18.742 -13.530 1.00 0.62 H new ATOM 0 HG2 GLN A 51 -2.815 -16.657 -13.784 1.00 0.65 H new ATOM 0 HG3 GLN A 51 -2.077 -17.784 -14.905 1.00 0.65 H new ATOM 0 HE21 GLN A 51 -4.227 -15.272 -14.863 1.00 1.48 H new ATOM 0 HE22 GLN A 51 -5.284 -15.752 -16.195 1.00 1.48 H new ATOM 817 N LEU A 52 -3.052 -19.675 -10.033 1.00 0.13 N ATOM 818 CA LEU A 52 -3.301 -20.839 -9.151 1.00 0.10 C ATOM 819 C LEU A 52 -4.699 -20.617 -8.551 1.00 0.17 C ATOM 820 O LEU A 52 -5.603 -20.289 -9.291 1.00 0.39 O ATOM 821 CB LEU A 52 -2.206 -20.875 -8.050 1.00 0.29 C ATOM 822 CG LEU A 52 -0.787 -21.182 -8.633 1.00 0.15 C ATOM 823 CD1 LEU A 52 -0.009 -22.059 -7.641 1.00 0.35 C ATOM 824 CD2 LEU A 52 -0.821 -21.932 -9.968 1.00 0.11 C ATOM 0 H LEU A 52 -2.747 -18.827 -9.556 1.00 0.13 H new ATOM 0 HA LEU A 52 -3.263 -21.791 -9.680 1.00 0.10 H new ATOM 0 HB2 LEU A 52 -2.184 -19.916 -7.532 1.00 0.29 H new ATOM 0 HB3 LEU A 52 -2.464 -21.632 -7.309 1.00 0.29 H new ATOM 0 HG LEU A 52 -0.314 -20.214 -8.798 1.00 0.15 H new ATOM 0 HD11 LEU A 52 0.980 -22.275 -8.044 1.00 0.35 H new ATOM 0 HD12 LEU A 52 0.093 -21.532 -6.692 1.00 0.35 H new ATOM 0 HD13 LEU A 52 -0.547 -22.993 -7.481 1.00 0.35 H new ATOM 0 HD21 LEU A 52 0.198 -22.110 -10.311 1.00 0.11 H new ATOM 0 HD22 LEU A 52 -1.332 -22.886 -9.836 1.00 0.11 H new ATOM 0 HD23 LEU A 52 -1.354 -21.334 -10.708 1.00 0.11 H new ATOM 836 N TRP A 53 -4.884 -20.787 -7.261 1.00 0.11 N ATOM 837 CA TRP A 53 -6.268 -20.554 -6.713 1.00 0.17 C ATOM 838 C TRP A 53 -6.294 -19.934 -5.336 1.00 0.21 C ATOM 839 O TRP A 53 -5.459 -20.231 -4.527 1.00 0.21 O ATOM 840 CB TRP A 53 -6.975 -21.884 -6.544 1.00 0.22 C ATOM 841 CG TRP A 53 -7.449 -22.370 -7.896 1.00 0.32 C ATOM 842 CD1 TRP A 53 -6.912 -23.405 -8.522 1.00 0.54 C ATOM 843 CD2 TRP A 53 -8.434 -21.842 -8.614 1.00 0.31 C ATOM 844 NE1 TRP A 53 -7.624 -23.494 -9.646 1.00 0.69 N ATOM 845 CE2 TRP A 53 -8.591 -22.554 -9.787 1.00 0.54 C ATOM 846 CE3 TRP A 53 -9.210 -20.725 -8.378 1.00 0.25 C ATOM 847 CZ2 TRP A 53 -9.526 -22.153 -10.713 1.00 0.60 C ATOM 848 CZ3 TRP A 53 -10.137 -20.322 -9.315 1.00 0.23 C ATOM 849 CH2 TRP A 53 -10.291 -21.041 -10.481 1.00 0.39 C ATOM 0 H TRP A 53 -4.172 -21.065 -6.586 1.00 0.11 H new ATOM 0 HA TRP A 53 -6.740 -19.880 -7.428 1.00 0.17 H new ATOM 0 HB2 TRP A 53 -6.300 -22.614 -6.098 1.00 0.22 H new ATOM 0 HB3 TRP A 53 -7.821 -21.776 -5.866 1.00 0.22 H new ATOM 0 HD1 TRP A 53 -6.092 -24.029 -8.199 1.00 0.54 H new ATOM 0 HE1 TRP A 53 -7.454 -24.215 -10.347 1.00 0.69 H new ATOM 0 HE3 TRP A 53 -9.091 -20.168 -7.461 1.00 0.25 H new ATOM 0 HZ2 TRP A 53 -9.657 -22.716 -11.625 1.00 0.60 H new ATOM 0 HZ3 TRP A 53 -10.741 -19.445 -9.136 1.00 0.23 H new ATOM 0 HH2 TRP A 53 -11.018 -20.726 -11.215 1.00 0.39 H new ATOM 860 N PHE A 54 -7.240 -19.056 -5.103 1.00 0.26 N ATOM 861 CA PHE A 54 -7.326 -18.423 -3.758 1.00 0.30 C ATOM 862 C PHE A 54 -8.815 -18.365 -3.335 1.00 0.23 C ATOM 863 O PHE A 54 -9.636 -17.829 -4.040 1.00 0.23 O ATOM 864 CB PHE A 54 -6.747 -16.984 -3.739 1.00 0.36 C ATOM 865 CG PHE A 54 -6.090 -16.620 -5.044 1.00 0.29 C ATOM 866 CD1 PHE A 54 -5.054 -17.371 -5.534 1.00 0.21 C ATOM 867 CD2 PHE A 54 -6.574 -15.558 -5.784 1.00 0.35 C ATOM 868 CE1 PHE A 54 -4.523 -17.089 -6.756 1.00 0.23 C ATOM 869 CE2 PHE A 54 -6.052 -15.275 -6.992 1.00 0.34 C ATOM 870 CZ PHE A 54 -5.015 -16.046 -7.492 1.00 0.30 C ATOM 0 H PHE A 54 -7.944 -18.756 -5.777 1.00 0.26 H new ATOM 0 HA PHE A 54 -6.734 -19.025 -3.069 1.00 0.30 H new ATOM 0 HB2 PHE A 54 -7.547 -16.275 -3.526 1.00 0.36 H new ATOM 0 HB3 PHE A 54 -6.020 -16.897 -2.931 1.00 0.36 H new ATOM 0 HD1 PHE A 54 -4.658 -18.188 -4.950 1.00 0.21 H new ATOM 0 HD2 PHE A 54 -7.376 -14.951 -5.391 1.00 0.35 H new ATOM 0 HE1 PHE A 54 -3.713 -17.689 -7.144 1.00 0.23 H new ATOM 0 HE2 PHE A 54 -6.440 -14.449 -7.570 1.00 0.34 H new ATOM 0 HZ PHE A 54 -4.595 -15.824 -8.462 1.00 0.30 H new ATOM 880 N PRO A 55 -9.146 -18.906 -2.186 1.00 0.18 N ATOM 881 CA PRO A 55 -10.538 -18.901 -1.701 1.00 0.12 C ATOM 882 C PRO A 55 -11.199 -17.541 -1.710 1.00 0.07 C ATOM 883 O PRO A 55 -10.557 -16.518 -1.616 1.00 0.11 O ATOM 884 CB PRO A 55 -10.423 -19.317 -0.246 1.00 0.12 C ATOM 885 CG PRO A 55 -9.010 -19.927 -0.050 1.00 0.19 C ATOM 886 CD PRO A 55 -8.185 -19.499 -1.242 1.00 0.23 C ATOM 0 HA PRO A 55 -11.140 -19.543 -2.345 1.00 0.12 H new ATOM 0 HB2 PRO A 55 -10.566 -18.459 0.411 1.00 0.12 H new ATOM 0 HB3 PRO A 55 -11.194 -20.045 0.008 1.00 0.12 H new ATOM 0 HG2 PRO A 55 -8.561 -19.574 0.878 1.00 0.19 H new ATOM 0 HG3 PRO A 55 -9.063 -21.014 0.014 1.00 0.19 H new ATOM 0 HD2 PRO A 55 -7.421 -18.777 -0.953 1.00 0.23 H new ATOM 0 HD3 PRO A 55 -7.668 -20.349 -1.688 1.00 0.23 H new ATOM 894 N SER A 56 -12.489 -17.580 -1.825 1.00 0.03 N ATOM 895 CA SER A 56 -13.271 -16.338 -1.835 1.00 0.08 C ATOM 896 C SER A 56 -13.712 -16.205 -0.399 1.00 0.22 C ATOM 897 O SER A 56 -14.538 -15.395 -0.031 1.00 0.33 O ATOM 898 CB SER A 56 -14.496 -16.507 -2.745 1.00 0.08 C ATOM 899 OG SER A 56 -15.229 -17.571 -2.158 1.00 0.29 O ATOM 0 H SER A 56 -13.037 -18.436 -1.913 1.00 0.03 H new ATOM 0 HA SER A 56 -12.716 -15.474 -2.200 1.00 0.08 H new ATOM 0 HB2 SER A 56 -15.088 -15.593 -2.788 1.00 0.08 H new ATOM 0 HB3 SER A 56 -14.202 -16.744 -3.767 1.00 0.08 H new ATOM 0 HG SER A 56 -16.184 -17.448 -2.338 1.00 0.29 H new ATOM 905 N ASN A 57 -13.089 -17.055 0.375 1.00 0.21 N ATOM 906 CA ASN A 57 -13.335 -17.132 1.809 1.00 0.34 C ATOM 907 C ASN A 57 -12.092 -16.611 2.502 1.00 0.37 C ATOM 908 O ASN A 57 -12.096 -16.337 3.687 1.00 0.45 O ATOM 909 CB ASN A 57 -13.533 -18.622 2.149 1.00 0.37 C ATOM 910 CG ASN A 57 -14.989 -19.008 1.887 1.00 1.02 C ATOM 911 OD1 ASN A 57 -15.873 -18.714 2.665 1.00 0.85 O ATOM 912 ND2 ASN A 57 -15.279 -19.666 0.796 1.00 3.30 N ATOM 0 H ASN A 57 -12.393 -17.719 0.037 1.00 0.21 H new ATOM 0 HA ASN A 57 -14.206 -16.555 2.119 1.00 0.34 H new ATOM 0 HB2 ASN A 57 -12.867 -19.237 1.544 1.00 0.37 H new ATOM 0 HB3 ASN A 57 -13.277 -18.806 3.192 1.00 0.37 H new ATOM 0 HD21 ASN A 57 -16.245 -19.930 0.601 1.00 3.30 H new ATOM 0 HD22 ASN A 57 -14.540 -19.915 0.139 1.00 3.30 H new ATOM 919 N TYR A 58 -11.045 -16.480 1.713 1.00 0.34 N ATOM 920 CA TYR A 58 -9.763 -15.978 2.272 1.00 0.42 C ATOM 921 C TYR A 58 -9.386 -14.605 1.711 1.00 0.58 C ATOM 922 O TYR A 58 -8.917 -13.748 2.433 1.00 1.30 O ATOM 923 CB TYR A 58 -8.611 -16.931 1.898 1.00 0.23 C ATOM 924 CG TYR A 58 -8.499 -18.102 2.894 1.00 0.15 C ATOM 925 CD1 TYR A 58 -9.515 -19.055 3.036 1.00 0.21 C ATOM 926 CD2 TYR A 58 -7.363 -18.218 3.680 1.00 0.27 C ATOM 927 CE1 TYR A 58 -9.385 -20.074 3.960 1.00 0.45 C ATOM 928 CE2 TYR A 58 -7.246 -19.243 4.595 1.00 0.51 C ATOM 929 CZ TYR A 58 -8.252 -20.177 4.742 1.00 0.61 C ATOM 930 OH TYR A 58 -8.126 -21.204 5.655 1.00 0.87 O ATOM 0 H TYR A 58 -11.032 -16.699 0.717 1.00 0.34 H new ATOM 0 HA TYR A 58 -9.906 -15.913 3.351 1.00 0.42 H new ATOM 0 HB2 TYR A 58 -8.772 -17.321 0.893 1.00 0.23 H new ATOM 0 HB3 TYR A 58 -7.672 -16.378 1.878 1.00 0.23 H new ATOM 0 HD1 TYR A 58 -10.402 -18.993 2.422 1.00 0.21 H new ATOM 0 HD2 TYR A 58 -6.563 -17.500 3.575 1.00 0.27 H new ATOM 0 HE1 TYR A 58 -10.179 -20.798 4.072 1.00 0.45 H new ATOM 0 HE2 TYR A 58 -6.357 -19.316 5.204 1.00 0.51 H new ATOM 0 HH TYR A 58 -7.266 -21.125 6.119 1.00 0.87 H new ATOM 940 N VAL A 59 -9.599 -14.425 0.439 1.00 0.41 N ATOM 941 CA VAL A 59 -9.251 -13.121 -0.192 1.00 0.37 C ATOM 942 C VAL A 59 -10.440 -12.171 -0.362 1.00 0.39 C ATOM 943 O VAL A 59 -11.554 -12.477 0.008 1.00 0.47 O ATOM 944 CB VAL A 59 -8.692 -13.449 -1.574 1.00 0.43 C ATOM 945 CG1 VAL A 59 -7.701 -14.597 -1.423 1.00 0.47 C ATOM 946 CG2 VAL A 59 -9.849 -13.855 -2.523 1.00 0.40 C ATOM 0 H VAL A 59 -9.998 -15.121 -0.191 1.00 0.41 H new ATOM 0 HA VAL A 59 -8.545 -12.605 0.459 1.00 0.37 H new ATOM 0 HB VAL A 59 -8.190 -12.580 -2.000 1.00 0.43 H new ATOM 0 HG11 VAL A 59 -7.287 -14.851 -2.399 1.00 0.47 H new ATOM 0 HG12 VAL A 59 -6.895 -14.296 -0.754 1.00 0.47 H new ATOM 0 HG13 VAL A 59 -8.212 -15.466 -1.008 1.00 0.47 H new ATOM 0 HG21 VAL A 59 -9.446 -14.088 -3.509 1.00 0.40 H new ATOM 0 HG22 VAL A 59 -10.358 -14.732 -2.122 1.00 0.40 H new ATOM 0 HG23 VAL A 59 -10.557 -13.031 -2.606 1.00 0.40 H new ATOM 956 N GLU A 60 -10.149 -11.024 -0.930 1.00 0.38 N ATOM 957 CA GLU A 60 -11.208 -10.002 -1.159 1.00 0.43 C ATOM 958 C GLU A 60 -10.678 -8.868 -2.045 1.00 0.41 C ATOM 959 O GLU A 60 -9.600 -8.355 -1.817 1.00 0.38 O ATOM 960 CB GLU A 60 -11.610 -9.415 0.198 1.00 0.48 C ATOM 961 CG GLU A 60 -13.135 -9.317 0.280 1.00 0.29 C ATOM 962 CD GLU A 60 -13.512 -8.322 1.376 1.00 0.64 C ATOM 963 OE1 GLU A 60 -13.184 -8.621 2.512 1.00 1.11 O ATOM 964 OE2 GLU A 60 -14.107 -7.319 1.017 1.00 1.79 O ATOM 0 H GLU A 60 -9.217 -10.755 -1.245 1.00 0.38 H new ATOM 0 HA GLU A 60 -12.059 -10.470 -1.654 1.00 0.43 H new ATOM 0 HB2 GLU A 60 -11.231 -10.043 1.004 1.00 0.48 H new ATOM 0 HB3 GLU A 60 -11.164 -8.429 0.326 1.00 0.48 H new ATOM 0 HG2 GLU A 60 -13.543 -8.995 -0.678 1.00 0.29 H new ATOM 0 HG3 GLU A 60 -13.564 -10.295 0.496 1.00 0.29 H new