USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 648 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 1 MET CE :methyl 163:sc= -0.0594 (180deg=-0.343) USER MOD Single : A 1 MET N :NH3+ -130:sc= 1.06 (180deg=-0.0842) USER MOD Single : A 2 GLN : amide:sc= -0.481 K(o=-0.48,f=-3.7) USER MOD Single : A 3 THR OG1 : rot 167:sc= 1.1 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= -0.537 USER MOD Single : A 13 TYR OH : rot 165:sc= 0 USER MOD Single : A 14 SER OG : rot -160:sc= -0.178 USER MOD Single : A 18 LYS NZ :NH3+ -167:sc= 1.21 (180deg=0.803) USER MOD Single : A 23 LYS NZ :NH3+ 168:sc= -0.717 (180deg=-0.972) USER MOD Single : A 25 SER OG : rot -179:sc= 1.4 USER MOD Single : A 26 ASN : amide:sc= 0.78 K(o=0.78,f=-0.029) USER MOD Single : A 32 GLN : amide:sc=-0.00768 X(o=-0.0077,f=0) USER MOD Single : A 33 TYR OH : rot 80:sc= -0.0223 USER MOD Single : A 34 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.067) USER MOD Single : A 35 TYR OH : rot 173:sc= -0.5 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 45 LYS NZ :NH3+ -165:sc= 1.04 (180deg=0.969) USER MOD Single : A 49 GLN : amide:sc= -0.0506 X(o=-0.051,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -2.61 K(o=-2.6,f=-4!) USER MOD Single : A 66 GLN : amide:sc= -0.011 K(o=-0.011,f=-1.2) USER MOD Single : A 67 GLN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 68 HIS : no HE2:sc= -2.05 K(o=-2,f=-4.8) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0155 USER MOD Single : A 80 LYS NZ :NH3+ -138:sc= -0.191 (180deg=-1.47) USER MOD Single : A 82 ASN : amide:sc= 0.354 K(o=0.35,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.276 1.431 11.380 1.00 2.04 N ATOM 2 CA MET A 1 9.476 1.389 9.926 1.00 1.35 C ATOM 3 C MET A 1 8.851 2.633 9.289 1.00 1.35 C ATOM 4 O MET A 1 8.665 3.651 9.953 1.00 1.90 O ATOM 5 CB MET A 1 9.054 0.043 9.297 1.00 1.45 C ATOM 6 CG MET A 1 7.547 -0.180 9.103 1.00 1.86 C ATOM 7 SD MET A 1 7.009 -1.896 8.932 1.00 2.87 S ATOM 8 CE MET A 1 7.451 -2.632 10.514 1.00 2.45 C ATOM 0 H1 MET A 1 10.182 1.259 11.860 1.00 2.04 H new ATOM 0 H2 MET A 1 8.912 2.366 11.653 1.00 2.04 H new ATOM 0 H3 MET A 1 8.592 0.698 11.658 1.00 2.04 H new ATOM 0 HA MET A 1 10.543 1.429 9.708 1.00 1.35 H new ATOM 0 HB2 MET A 1 9.540 -0.047 8.326 1.00 1.45 H new ATOM 0 HB3 MET A 1 9.440 -0.762 9.922 1.00 1.45 H new ATOM 0 HG2 MET A 1 7.024 0.260 9.952 1.00 1.86 H new ATOM 0 HG3 MET A 1 7.231 0.368 8.215 1.00 1.86 H new ATOM 0 HE1 MET A 1 6.912 -3.571 10.642 1.00 2.45 H new ATOM 0 HE2 MET A 1 8.524 -2.823 10.539 1.00 2.45 H new ATOM 0 HE3 MET A 1 7.185 -1.948 11.320 1.00 2.45 H new ATOM 20 N GLN A 2 8.537 2.547 8.007 1.00 0.97 N ATOM 21 CA GLN A 2 8.043 3.575 7.115 1.00 0.93 C ATOM 22 C GLN A 2 7.323 2.796 6.028 1.00 0.93 C ATOM 23 O GLN A 2 7.559 1.594 5.879 1.00 1.25 O ATOM 24 CB GLN A 2 9.246 4.336 6.533 1.00 1.14 C ATOM 25 CG GLN A 2 9.081 5.854 6.641 1.00 1.63 C ATOM 26 CD GLN A 2 7.917 6.346 5.799 1.00 1.37 C ATOM 27 OE1 GLN A 2 6.792 6.428 6.274 1.00 3.00 O ATOM 28 NE2 GLN A 2 8.143 6.623 4.528 1.00 1.88 N ATOM 0 H GLN A 2 8.634 1.658 7.516 1.00 0.97 H new ATOM 0 HA GLN A 2 7.391 4.305 7.595 1.00 0.93 H new ATOM 0 HB2 GLN A 2 10.153 4.033 7.057 1.00 1.14 H new ATOM 0 HB3 GLN A 2 9.376 4.060 5.486 1.00 1.14 H new ATOM 0 HG2 GLN A 2 8.921 6.131 7.683 1.00 1.63 H new ATOM 0 HG3 GLN A 2 9.999 6.345 6.318 1.00 1.63 H new ATOM 0 HE21 GLN A 2 9.087 6.549 4.150 1.00 1.88 H new ATOM 0 HE22 GLN A 2 7.373 6.911 3.924 1.00 1.88 H new ATOM 37 N THR A 3 6.471 3.465 5.273 1.00 1.11 N ATOM 38 CA THR A 3 5.648 2.808 4.287 1.00 1.19 C ATOM 39 C THR A 3 5.527 3.750 3.103 1.00 1.31 C ATOM 40 O THR A 3 5.584 4.966 3.282 1.00 1.89 O ATOM 41 CB THR A 3 4.294 2.490 4.933 1.00 1.13 C ATOM 42 OG1 THR A 3 4.484 2.041 6.255 1.00 1.26 O ATOM 43 CG2 THR A 3 3.524 1.419 4.169 1.00 1.42 C ATOM 0 H THR A 3 6.334 4.474 5.329 1.00 1.11 H new ATOM 0 HA THR A 3 6.073 1.868 3.936 1.00 1.19 H new ATOM 0 HB THR A 3 3.713 3.412 4.915 1.00 1.13 H new ATOM 0 HG1 THR A 3 3.625 2.039 6.726 1.00 1.26 H new ATOM 0 HG21 THR A 3 2.573 1.230 4.667 1.00 1.42 H new ATOM 0 HG22 THR A 3 3.339 1.761 3.151 1.00 1.42 H new ATOM 0 HG23 THR A 3 4.109 0.499 4.143 1.00 1.42 H new ATOM 51 N VAL A 4 5.370 3.203 1.906 1.00 0.90 N ATOM 52 CA VAL A 4 5.039 3.956 0.712 1.00 0.83 C ATOM 53 C VAL A 4 3.773 3.311 0.142 1.00 0.77 C ATOM 54 O VAL A 4 3.625 2.099 0.271 1.00 0.81 O ATOM 55 CB VAL A 4 6.224 3.885 -0.268 1.00 0.89 C ATOM 56 CG1 VAL A 4 5.804 4.235 -1.698 1.00 1.20 C ATOM 57 CG2 VAL A 4 7.355 4.812 0.194 1.00 1.04 C ATOM 0 H VAL A 4 5.472 2.202 1.738 1.00 0.90 H new ATOM 0 HA VAL A 4 4.856 5.012 0.910 1.00 0.83 H new ATOM 0 HB VAL A 4 6.583 2.856 -0.272 1.00 0.89 H new ATOM 0 HG11 VAL A 4 6.670 4.173 -2.357 1.00 1.20 H new ATOM 0 HG12 VAL A 4 5.040 3.534 -2.035 1.00 1.20 H new ATOM 0 HG13 VAL A 4 5.402 5.248 -1.722 1.00 1.20 H new ATOM 0 HG21 VAL A 4 8.186 4.751 -0.509 1.00 1.04 H new ATOM 0 HG22 VAL A 4 6.990 5.838 0.236 1.00 1.04 H new ATOM 0 HG23 VAL A 4 7.694 4.507 1.184 1.00 1.04 H new ATOM 67 N ILE A 5 2.835 4.071 -0.430 1.00 0.78 N ATOM 68 CA ILE A 5 1.551 3.534 -0.864 1.00 0.76 C ATOM 69 C ILE A 5 1.186 4.166 -2.190 1.00 0.47 C ATOM 70 O ILE A 5 1.082 5.385 -2.265 1.00 0.64 O ATOM 71 CB ILE A 5 0.451 3.830 0.164 1.00 1.05 C ATOM 72 CG1 ILE A 5 0.727 3.175 1.523 1.00 1.51 C ATOM 73 CG2 ILE A 5 -0.909 3.376 -0.408 1.00 1.02 C ATOM 74 CD1 ILE A 5 1.519 4.041 2.488 1.00 2.55 C ATOM 0 H ILE A 5 2.947 5.070 -0.603 1.00 0.78 H new ATOM 0 HA ILE A 5 1.636 2.452 -0.965 1.00 0.76 H new ATOM 0 HB ILE A 5 0.432 4.905 0.346 1.00 1.05 H new ATOM 0 HG12 ILE A 5 -0.224 2.913 1.986 1.00 1.51 H new ATOM 0 HG13 ILE A 5 1.270 2.244 1.360 1.00 1.51 H new ATOM 0 HG21 ILE A 5 -1.696 3.583 0.317 1.00 1.02 H new ATOM 0 HG22 ILE A 5 -1.114 3.918 -1.331 1.00 1.02 H new ATOM 0 HG23 ILE A 5 -0.878 2.306 -0.614 1.00 1.02 H new ATOM 0 HD11 ILE A 5 1.669 3.501 3.423 1.00 2.55 H new ATOM 0 HD12 ILE A 5 2.487 4.283 2.049 1.00 2.55 H new ATOM 0 HD13 ILE A 5 0.970 4.962 2.685 1.00 2.55 H new ATOM 86 N PHE A 6 0.985 3.351 -3.217 1.00 0.46 N ATOM 87 CA PHE A 6 0.699 3.775 -4.569 1.00 0.56 C ATOM 88 C PHE A 6 -0.738 3.340 -4.859 1.00 0.88 C ATOM 89 O PHE A 6 -1.012 2.150 -4.714 1.00 1.23 O ATOM 90 CB PHE A 6 1.673 2.998 -5.469 1.00 0.69 C ATOM 91 CG PHE A 6 3.067 3.579 -5.686 1.00 0.91 C ATOM 92 CD1 PHE A 6 3.719 4.341 -4.696 1.00 2.01 C ATOM 93 CD2 PHE A 6 3.685 3.423 -6.942 1.00 1.34 C ATOM 94 CE1 PHE A 6 4.942 4.973 -4.975 1.00 2.45 C ATOM 95 CE2 PHE A 6 4.921 4.033 -7.213 1.00 1.62 C ATOM 96 CZ PHE A 6 5.547 4.817 -6.231 1.00 1.89 C ATOM 0 H PHE A 6 1.020 2.336 -3.120 1.00 0.46 H new ATOM 0 HA PHE A 6 0.806 4.848 -4.728 1.00 0.56 H new ATOM 0 HB2 PHE A 6 1.789 1.998 -5.050 1.00 0.69 H new ATOM 0 HB3 PHE A 6 1.204 2.882 -6.446 1.00 0.69 H new ATOM 0 HD1 PHE A 6 3.275 4.440 -3.716 1.00 2.01 H new ATOM 0 HD2 PHE A 6 3.204 2.828 -7.704 1.00 1.34 H new ATOM 0 HE1 PHE A 6 5.418 5.581 -4.220 1.00 2.45 H new ATOM 0 HE2 PHE A 6 5.390 3.899 -8.177 1.00 1.62 H new ATOM 0 HZ PHE A 6 6.491 5.298 -6.442 1.00 1.89 H new ATOM 106 N GLY A 7 -1.667 4.216 -5.262 1.00 1.19 N ATOM 107 CA GLY A 7 -2.955 3.701 -5.729 1.00 1.81 C ATOM 108 C GLY A 7 -4.047 4.721 -6.031 1.00 1.21 C ATOM 109 O GLY A 7 -3.848 5.608 -6.852 1.00 2.27 O ATOM 0 H GLY A 7 -1.561 5.230 -5.275 1.00 1.19 H new ATOM 0 HA2 GLY A 7 -2.778 3.119 -6.633 1.00 1.81 H new ATOM 0 HA3 GLY A 7 -3.336 3.012 -4.976 1.00 1.81 H new ATOM 113 N ARG A 8 -5.194 4.554 -5.360 1.00 1.70 N ATOM 114 CA ARG A 8 -6.442 5.305 -5.513 1.00 2.13 C ATOM 115 C ARG A 8 -7.135 5.018 -6.841 1.00 1.68 C ATOM 116 O ARG A 8 -6.672 4.188 -7.618 1.00 2.49 O ATOM 117 CB ARG A 8 -6.269 6.814 -5.308 1.00 3.70 C ATOM 118 CG ARG A 8 -5.358 7.128 -4.121 1.00 5.04 C ATOM 119 CD ARG A 8 -3.944 7.520 -4.576 1.00 5.92 C ATOM 120 NE ARG A 8 -3.430 8.727 -3.905 1.00 7.38 N ATOM 121 CZ ARG A 8 -4.062 9.914 -3.892 1.00 8.10 C ATOM 122 NH1 ARG A 8 -5.130 10.094 -4.661 1.00 7.74 N ATOM 123 NH2 ARG A 8 -3.638 10.890 -3.096 1.00 9.58 N ATOM 0 H ARG A 8 -5.278 3.835 -4.642 1.00 1.70 H new ATOM 0 HA ARG A 8 -7.088 4.946 -4.712 1.00 2.13 H new ATOM 0 HB2 ARG A 8 -5.853 7.258 -6.212 1.00 3.70 H new ATOM 0 HB3 ARG A 8 -7.245 7.273 -5.148 1.00 3.70 H new ATOM 0 HG2 ARG A 8 -5.790 7.940 -3.536 1.00 5.04 H new ATOM 0 HG3 ARG A 8 -5.301 6.258 -3.466 1.00 5.04 H new ATOM 0 HD2 ARG A 8 -3.265 6.689 -4.385 1.00 5.92 H new ATOM 0 HD3 ARG A 8 -3.949 7.686 -5.653 1.00 5.92 H new ATOM 0 HE ARG A 8 -2.536 8.658 -3.418 1.00 7.38 H new ATOM 0 HH11 ARG A 8 -5.465 9.335 -5.255 1.00 7.74 H new ATOM 0 HH12 ARG A 8 -5.616 10.991 -4.658 1.00 7.74 H new ATOM 0 HH21 ARG A 8 -2.830 10.740 -2.492 1.00 9.58 H new ATOM 0 HH22 ARG A 8 -4.120 11.789 -3.089 1.00 9.58 H new ATOM 137 N SER A 9 -8.247 5.713 -7.085 1.00 2.29 N ATOM 138 CA SER A 9 -9.132 5.511 -8.218 1.00 3.23 C ATOM 139 C SER A 9 -9.973 4.244 -8.033 1.00 2.45 C ATOM 140 O SER A 9 -9.668 3.386 -7.201 1.00 2.46 O ATOM 141 CB SER A 9 -8.363 5.528 -9.545 1.00 4.69 C ATOM 142 OG SER A 9 -7.464 6.627 -9.575 1.00 5.09 O ATOM 0 H SER A 9 -8.563 6.462 -6.469 1.00 2.29 H new ATOM 0 HA SER A 9 -9.828 6.349 -8.263 1.00 3.23 H new ATOM 0 HB2 SER A 9 -7.813 4.595 -9.667 1.00 4.69 H new ATOM 0 HB3 SER A 9 -9.062 5.597 -10.378 1.00 4.69 H new ATOM 0 HG SER A 9 -6.977 6.628 -10.425 1.00 5.09 H new ATOM 148 N GLY A 10 -11.039 4.116 -8.821 1.00 2.95 N ATOM 149 CA GLY A 10 -11.759 2.869 -8.994 1.00 2.94 C ATOM 150 C GLY A 10 -12.708 2.512 -7.848 1.00 2.23 C ATOM 151 O GLY A 10 -13.889 2.258 -8.104 1.00 3.18 O ATOM 0 H GLY A 10 -11.427 4.889 -9.361 1.00 2.95 H new ATOM 0 HA2 GLY A 10 -12.333 2.922 -9.919 1.00 2.94 H new ATOM 0 HA3 GLY A 10 -11.036 2.062 -9.113 1.00 2.94 H new ATOM 155 N CYS A 11 -12.223 2.402 -6.610 1.00 1.53 N ATOM 156 CA CYS A 11 -12.923 1.711 -5.522 1.00 1.21 C ATOM 157 C CYS A 11 -12.597 2.310 -4.157 1.00 1.55 C ATOM 158 O CYS A 11 -11.434 2.639 -3.915 1.00 1.80 O ATOM 159 CB CYS A 11 -12.547 0.219 -5.461 1.00 1.17 C ATOM 160 SG CYS A 11 -10.963 -0.320 -6.106 1.00 2.47 S ATOM 0 H CYS A 11 -11.324 2.794 -6.330 1.00 1.53 H new ATOM 0 HA CYS A 11 -13.984 1.830 -5.740 1.00 1.21 H new ATOM 0 HB2 CYS A 11 -12.595 -0.087 -4.416 1.00 1.17 H new ATOM 0 HB3 CYS A 11 -13.321 -0.335 -5.992 1.00 1.17 H new ATOM 0 HG CYS A 11 -10.848 -1.606 -5.955 1.00 2.47 H new ATOM 165 N PRO A 12 -13.567 2.384 -3.226 1.00 1.68 N ATOM 166 CA PRO A 12 -13.275 2.620 -1.822 1.00 1.81 C ATOM 167 C PRO A 12 -12.480 1.448 -1.242 1.00 1.57 C ATOM 168 O PRO A 12 -11.550 1.665 -0.472 1.00 1.54 O ATOM 169 CB PRO A 12 -14.629 2.806 -1.132 1.00 2.13 C ATOM 170 CG PRO A 12 -15.592 2.013 -2.015 1.00 2.01 C ATOM 171 CD PRO A 12 -14.998 2.175 -3.413 1.00 1.76 C ATOM 0 HA PRO A 12 -12.655 3.504 -1.673 1.00 1.81 H new ATOM 0 HB2 PRO A 12 -14.615 2.425 -0.111 1.00 2.13 H new ATOM 0 HB3 PRO A 12 -14.910 3.858 -1.076 1.00 2.13 H new ATOM 0 HG2 PRO A 12 -15.641 0.966 -1.717 1.00 2.01 H new ATOM 0 HG3 PRO A 12 -16.606 2.408 -1.960 1.00 2.01 H new ATOM 0 HD2 PRO A 12 -15.186 1.290 -4.021 1.00 1.76 H new ATOM 0 HD3 PRO A 12 -15.450 3.020 -3.932 1.00 1.76 H new ATOM 179 N TYR A 13 -12.792 0.207 -1.635 1.00 1.53 N ATOM 180 CA TYR A 13 -12.101 -0.973 -1.120 1.00 1.42 C ATOM 181 C TYR A 13 -10.581 -0.876 -1.302 1.00 1.26 C ATOM 182 O TYR A 13 -9.816 -1.347 -0.466 1.00 1.24 O ATOM 183 CB TYR A 13 -12.660 -2.237 -1.785 1.00 1.60 C ATOM 184 CG TYR A 13 -12.185 -3.530 -1.148 1.00 1.60 C ATOM 185 CD1 TYR A 13 -12.507 -3.796 0.194 1.00 1.89 C ATOM 186 CD2 TYR A 13 -11.459 -4.480 -1.891 1.00 2.75 C ATOM 187 CE1 TYR A 13 -12.117 -5.005 0.790 1.00 2.21 C ATOM 188 CE2 TYR A 13 -11.103 -5.710 -1.307 1.00 3.05 C ATOM 189 CZ TYR A 13 -11.450 -5.976 0.029 1.00 2.37 C ATOM 190 OH TYR A 13 -11.146 -7.169 0.609 1.00 2.89 O ATOM 0 H TYR A 13 -13.525 -0.003 -2.313 1.00 1.53 H new ATOM 0 HA TYR A 13 -12.283 -1.028 -0.047 1.00 1.42 H new ATOM 0 HB2 TYR A 13 -13.749 -2.204 -1.748 1.00 1.60 H new ATOM 0 HB3 TYR A 13 -12.377 -2.237 -2.838 1.00 1.60 H new ATOM 0 HD1 TYR A 13 -13.057 -3.066 0.769 1.00 1.89 H new ATOM 0 HD2 TYR A 13 -11.175 -4.265 -2.910 1.00 2.75 H new ATOM 0 HE1 TYR A 13 -12.330 -5.187 1.833 1.00 2.21 H new ATOM 0 HE2 TYR A 13 -10.565 -6.448 -1.884 1.00 3.05 H new ATOM 0 HH TYR A 13 -10.907 -7.818 -0.085 1.00 2.89 H new ATOM 200 N SER A 14 -10.143 -0.211 -2.372 1.00 1.27 N ATOM 201 CA SER A 14 -8.734 0.061 -2.599 1.00 1.24 C ATOM 202 C SER A 14 -8.250 0.971 -1.459 1.00 1.03 C ATOM 203 O SER A 14 -7.313 0.647 -0.733 1.00 0.90 O ATOM 204 CB SER A 14 -8.585 0.729 -3.988 1.00 1.49 C ATOM 205 OG SER A 14 -7.546 1.687 -4.103 1.00 1.78 O ATOM 0 H SER A 14 -10.758 0.151 -3.101 1.00 1.27 H new ATOM 0 HA SER A 14 -8.129 -0.845 -2.600 1.00 1.24 H new ATOM 0 HB2 SER A 14 -8.417 -0.052 -4.730 1.00 1.49 H new ATOM 0 HB3 SER A 14 -9.529 1.212 -4.241 1.00 1.49 H new ATOM 0 HG SER A 14 -7.720 2.268 -4.873 1.00 1.78 H new ATOM 211 N VAL A 15 -8.909 2.111 -1.273 1.00 1.12 N ATOM 212 CA VAL A 15 -8.519 3.121 -0.300 1.00 1.13 C ATOM 213 C VAL A 15 -8.757 2.643 1.146 1.00 0.79 C ATOM 214 O VAL A 15 -8.231 3.244 2.083 1.00 0.69 O ATOM 215 CB VAL A 15 -9.189 4.458 -0.670 1.00 1.72 C ATOM 216 CG1 VAL A 15 -8.776 5.629 0.232 1.00 1.95 C ATOM 217 CG2 VAL A 15 -8.790 4.853 -2.102 1.00 2.10 C ATOM 0 H VAL A 15 -9.743 2.361 -1.804 1.00 1.12 H new ATOM 0 HA VAL A 15 -7.443 3.292 -0.337 1.00 1.13 H new ATOM 0 HB VAL A 15 -10.260 4.289 -0.555 1.00 1.72 H new ATOM 0 HG11 VAL A 15 -9.289 6.535 -0.091 1.00 1.95 H new ATOM 0 HG12 VAL A 15 -9.047 5.407 1.264 1.00 1.95 H new ATOM 0 HG13 VAL A 15 -7.698 5.778 0.164 1.00 1.95 H new ATOM 0 HG21 VAL A 15 -9.264 5.799 -2.364 1.00 2.10 H new ATOM 0 HG22 VAL A 15 -7.707 4.961 -2.161 1.00 2.10 H new ATOM 0 HG23 VAL A 15 -9.116 4.079 -2.797 1.00 2.10 H new ATOM 227 N ARG A 16 -9.449 1.523 1.368 1.00 0.79 N ATOM 228 CA ARG A 16 -9.418 0.848 2.664 1.00 0.67 C ATOM 229 C ARG A 16 -7.970 0.527 3.063 1.00 0.52 C ATOM 230 O ARG A 16 -7.629 0.515 4.241 1.00 0.47 O ATOM 231 CB ARG A 16 -10.279 -0.426 2.651 1.00 0.86 C ATOM 232 CG ARG A 16 -10.685 -0.847 4.074 1.00 1.18 C ATOM 233 CD ARG A 16 -11.298 -2.256 4.059 1.00 1.80 C ATOM 234 NE ARG A 16 -12.142 -2.552 5.232 1.00 1.98 N ATOM 235 CZ ARG A 16 -11.739 -2.863 6.476 1.00 2.80 C ATOM 236 NH1 ARG A 16 -10.472 -2.679 6.844 1.00 3.78 N ATOM 237 NH2 ARG A 16 -12.628 -3.377 7.321 1.00 3.61 N ATOM 0 H ARG A 16 -10.035 1.067 0.669 1.00 0.79 H new ATOM 0 HA ARG A 16 -9.842 1.522 3.408 1.00 0.67 H new ATOM 0 HB2 ARG A 16 -11.173 -0.256 2.052 1.00 0.86 H new ATOM 0 HB3 ARG A 16 -9.726 -1.235 2.175 1.00 0.86 H new ATOM 0 HG2 ARG A 16 -9.813 -0.829 4.728 1.00 1.18 H new ATOM 0 HG3 ARG A 16 -11.403 -0.135 4.480 1.00 1.18 H new ATOM 0 HD2 ARG A 16 -11.896 -2.372 3.155 1.00 1.80 H new ATOM 0 HD3 ARG A 16 -10.495 -2.991 4.007 1.00 1.80 H new ATOM 0 HE ARG A 16 -13.150 -2.516 5.081 1.00 1.98 H new ATOM 0 HH11 ARG A 16 -9.798 -2.299 6.179 1.00 3.78 H new ATOM 0 HH12 ARG A 16 -10.176 -2.918 7.790 1.00 3.78 H new ATOM 0 HH21 ARG A 16 -13.591 -3.527 7.019 1.00 3.61 H new ATOM 0 HH22 ARG A 16 -12.347 -3.621 8.271 1.00 3.61 H new ATOM 251 N ALA A 17 -7.096 0.258 2.090 1.00 0.52 N ATOM 252 CA ALA A 17 -5.690 0.018 2.373 1.00 0.44 C ATOM 253 C ALA A 17 -5.023 1.289 2.904 1.00 0.44 C ATOM 254 O ALA A 17 -4.230 1.222 3.841 1.00 0.50 O ATOM 255 CB ALA A 17 -4.982 -0.513 1.129 1.00 0.46 C ATOM 0 H ALA A 17 -7.343 0.202 1.102 1.00 0.52 H new ATOM 0 HA ALA A 17 -5.611 -0.742 3.150 1.00 0.44 H new ATOM 0 HB1 ALA A 17 -3.930 -0.688 1.356 1.00 0.46 H new ATOM 0 HB2 ALA A 17 -5.447 -1.448 0.817 1.00 0.46 H new ATOM 0 HB3 ALA A 17 -5.063 0.218 0.324 1.00 0.46 H new ATOM 261 N LYS A 18 -5.337 2.451 2.315 1.00 0.44 N ATOM 262 CA LYS A 18 -4.891 3.713 2.890 1.00 0.55 C ATOM 263 C LYS A 18 -5.377 3.782 4.321 1.00 0.58 C ATOM 264 O LYS A 18 -4.553 3.976 5.200 1.00 0.76 O ATOM 265 CB LYS A 18 -5.366 4.946 2.109 1.00 0.84 C ATOM 266 CG LYS A 18 -5.254 6.228 2.962 1.00 1.26 C ATOM 267 CD LYS A 18 -5.173 7.477 2.085 1.00 1.29 C ATOM 268 CE LYS A 18 -5.300 8.792 2.865 1.00 1.76 C ATOM 269 NZ LYS A 18 -6.611 8.952 3.519 1.00 2.16 N ATOM 0 H LYS A 18 -5.886 2.537 1.460 1.00 0.44 H new ATOM 0 HA LYS A 18 -3.802 3.733 2.841 1.00 0.55 H new ATOM 0 HB2 LYS A 18 -4.771 5.057 1.203 1.00 0.84 H new ATOM 0 HB3 LYS A 18 -6.400 4.804 1.796 1.00 0.84 H new ATOM 0 HG2 LYS A 18 -6.116 6.302 3.625 1.00 1.26 H new ATOM 0 HG3 LYS A 18 -4.369 6.169 3.596 1.00 1.26 H new ATOM 0 HD2 LYS A 18 -4.223 7.473 1.551 1.00 1.29 H new ATOM 0 HD3 LYS A 18 -5.962 7.434 1.334 1.00 1.29 H new ATOM 0 HE2 LYS A 18 -4.516 8.836 3.621 1.00 1.76 H new ATOM 0 HE3 LYS A 18 -5.135 9.628 2.185 1.00 1.76 H new ATOM 0 HZ1 LYS A 18 -6.721 9.935 3.840 1.00 2.16 H new ATOM 0 HZ2 LYS A 18 -7.367 8.721 2.843 1.00 2.16 H new ATOM 0 HZ3 LYS A 18 -6.671 8.312 4.337 1.00 2.16 H new ATOM 283 N ASP A 19 -6.690 3.666 4.527 1.00 0.53 N ATOM 284 CA ASP A 19 -7.293 3.754 5.853 1.00 0.62 C ATOM 285 C ASP A 19 -6.485 2.931 6.853 1.00 0.61 C ATOM 286 O ASP A 19 -5.972 3.474 7.828 1.00 0.75 O ATOM 287 CB ASP A 19 -8.752 3.302 5.822 1.00 0.68 C ATOM 288 CG ASP A 19 -9.271 3.092 7.228 1.00 1.16 C ATOM 289 OD1 ASP A 19 -9.498 4.102 7.929 1.00 1.67 O ATOM 290 OD2 ASP A 19 -9.490 1.917 7.580 1.00 2.37 O ATOM 0 H ASP A 19 -7.363 3.508 3.777 1.00 0.53 H new ATOM 0 HA ASP A 19 -7.278 4.796 6.172 1.00 0.62 H new ATOM 0 HB2 ASP A 19 -9.360 4.049 5.311 1.00 0.68 H new ATOM 0 HB3 ASP A 19 -8.840 2.376 5.253 1.00 0.68 H new ATOM 295 N LEU A 20 -6.323 1.639 6.566 1.00 0.53 N ATOM 296 CA LEU A 20 -5.542 0.713 7.382 1.00 0.60 C ATOM 297 C LEU A 20 -4.215 1.335 7.811 1.00 0.59 C ATOM 298 O LEU A 20 -3.894 1.370 8.995 1.00 0.74 O ATOM 299 CB LEU A 20 -5.325 -0.605 6.633 1.00 0.63 C ATOM 300 CG LEU A 20 -4.601 -1.685 7.463 1.00 0.79 C ATOM 301 CD1 LEU A 20 -5.201 -1.893 8.861 1.00 1.38 C ATOM 302 CD2 LEU A 20 -4.645 -3.030 6.730 1.00 2.05 C ATOM 0 H LEU A 20 -6.739 1.200 5.745 1.00 0.53 H new ATOM 0 HA LEU A 20 -6.106 0.499 8.290 1.00 0.60 H new ATOM 0 HB2 LEU A 20 -6.292 -0.994 6.314 1.00 0.63 H new ATOM 0 HB3 LEU A 20 -4.748 -0.407 5.730 1.00 0.63 H new ATOM 0 HG LEU A 20 -3.579 -1.325 7.585 1.00 0.79 H new ATOM 0 HD11 LEU A 20 -4.641 -2.667 9.386 1.00 1.38 H new ATOM 0 HD12 LEU A 20 -5.146 -0.961 9.423 1.00 1.38 H new ATOM 0 HD13 LEU A 20 -6.243 -2.199 8.768 1.00 1.38 H new ATOM 0 HD21 LEU A 20 -4.131 -3.785 7.325 1.00 2.05 H new ATOM 0 HD22 LEU A 20 -5.682 -3.329 6.581 1.00 2.05 H new ATOM 0 HD23 LEU A 20 -4.153 -2.933 5.762 1.00 2.05 H new ATOM 314 N ALA A 21 -3.437 1.847 6.861 1.00 0.47 N ATOM 315 CA ALA A 21 -2.201 2.524 7.234 1.00 0.48 C ATOM 316 C ALA A 21 -2.462 3.810 7.993 1.00 0.46 C ATOM 317 O ALA A 21 -1.711 4.122 8.903 1.00 0.44 O ATOM 318 CB ALA A 21 -1.314 2.861 6.025 1.00 0.63 C ATOM 0 H ALA A 21 -3.631 1.809 5.860 1.00 0.47 H new ATOM 0 HA ALA A 21 -1.678 1.812 7.873 1.00 0.48 H new ATOM 0 HB1 ALA A 21 -0.409 3.364 6.366 1.00 0.63 H new ATOM 0 HB2 ALA A 21 -1.044 1.942 5.504 1.00 0.63 H new ATOM 0 HB3 ALA A 21 -1.859 3.517 5.346 1.00 0.63 H new ATOM 324 N GLU A 22 -3.455 4.588 7.597 1.00 0.50 N ATOM 325 CA GLU A 22 -3.671 5.926 8.091 1.00 0.50 C ATOM 326 C GLU A 22 -3.913 5.835 9.595 1.00 0.47 C ATOM 327 O GLU A 22 -3.169 6.443 10.360 1.00 0.52 O ATOM 328 CB GLU A 22 -4.805 6.566 7.285 1.00 0.66 C ATOM 329 CG GLU A 22 -5.197 7.963 7.763 1.00 0.81 C ATOM 330 CD GLU A 22 -5.990 8.675 6.692 1.00 1.52 C ATOM 331 OE1 GLU A 22 -6.758 8.015 5.960 1.00 2.53 O ATOM 332 OE2 GLU A 22 -5.833 9.904 6.552 1.00 2.20 O ATOM 0 H GLU A 22 -4.146 4.295 6.907 1.00 0.50 H new ATOM 0 HA GLU A 22 -2.810 6.580 7.957 1.00 0.50 H new ATOM 0 HB2 GLU A 22 -4.506 6.622 6.238 1.00 0.66 H new ATOM 0 HB3 GLU A 22 -5.680 5.918 7.332 1.00 0.66 H new ATOM 0 HG2 GLU A 22 -5.788 7.891 8.676 1.00 0.81 H new ATOM 0 HG3 GLU A 22 -4.303 8.537 8.006 1.00 0.81 H new ATOM 339 N LYS A 23 -4.864 5.013 10.051 1.00 0.55 N ATOM 340 CA LYS A 23 -5.028 4.848 11.493 1.00 0.71 C ATOM 341 C LYS A 23 -3.728 4.439 12.143 1.00 0.70 C ATOM 342 O LYS A 23 -3.261 5.088 13.073 1.00 0.84 O ATOM 343 CB LYS A 23 -6.080 3.827 11.905 1.00 1.07 C ATOM 344 CG LYS A 23 -6.248 2.547 11.094 1.00 1.91 C ATOM 345 CD LYS A 23 -7.433 2.687 10.151 1.00 3.14 C ATOM 346 CE LYS A 23 -8.794 2.312 10.767 1.00 3.80 C ATOM 347 NZ LYS A 23 -9.229 3.259 11.808 1.00 4.08 N ATOM 0 H LYS A 23 -5.505 4.474 9.469 1.00 0.55 H new ATOM 0 HA LYS A 23 -5.362 5.829 11.832 1.00 0.71 H new ATOM 0 HB2 LYS A 23 -5.866 3.535 12.933 1.00 1.07 H new ATOM 0 HB3 LYS A 23 -7.043 4.337 11.912 1.00 1.07 H new ATOM 0 HG2 LYS A 23 -5.341 2.344 10.525 1.00 1.91 H new ATOM 0 HG3 LYS A 23 -6.401 1.700 11.762 1.00 1.91 H new ATOM 0 HD2 LYS A 23 -7.480 3.718 9.799 1.00 3.14 H new ATOM 0 HD3 LYS A 23 -7.260 2.060 9.277 1.00 3.14 H new ATOM 0 HE2 LYS A 23 -9.546 2.274 9.979 1.00 3.80 H new ATOM 0 HE3 LYS A 23 -8.731 1.312 11.196 1.00 3.80 H new ATOM 0 HZ1 LYS A 23 -10.226 3.082 12.043 1.00 4.08 H new ATOM 0 HZ2 LYS A 23 -8.645 3.132 12.659 1.00 4.08 H new ATOM 0 HZ3 LYS A 23 -9.123 4.233 11.458 1.00 4.08 H new ATOM 361 N LEU A 24 -3.145 3.358 11.640 1.00 0.60 N ATOM 362 CA LEU A 24 -1.897 2.857 12.172 1.00 0.63 C ATOM 363 C LEU A 24 -0.823 3.945 12.155 1.00 0.65 C ATOM 364 O LEU A 24 0.086 3.900 12.969 1.00 0.97 O ATOM 365 CB LEU A 24 -1.446 1.637 11.362 1.00 0.62 C ATOM 366 CG LEU A 24 -2.313 0.384 11.577 1.00 0.73 C ATOM 367 CD1 LEU A 24 -1.862 -0.721 10.614 1.00 0.88 C ATOM 368 CD2 LEU A 24 -2.211 -0.144 13.010 1.00 0.91 C ATOM 0 H LEU A 24 -3.522 2.815 10.863 1.00 0.60 H new ATOM 0 HA LEU A 24 -2.050 2.558 13.209 1.00 0.63 H new ATOM 0 HB2 LEU A 24 -1.455 1.894 10.303 1.00 0.62 H new ATOM 0 HB3 LEU A 24 -0.415 1.401 11.624 1.00 0.62 H new ATOM 0 HG LEU A 24 -3.349 0.666 11.388 1.00 0.73 H new ATOM 0 HD11 LEU A 24 -2.476 -1.609 10.766 1.00 0.88 H new ATOM 0 HD12 LEU A 24 -1.972 -0.375 9.586 1.00 0.88 H new ATOM 0 HD13 LEU A 24 -0.817 -0.965 10.805 1.00 0.88 H new ATOM 0 HD21 LEU A 24 -2.839 -1.029 13.117 1.00 0.91 H new ATOM 0 HD22 LEU A 24 -1.176 -0.405 13.229 1.00 0.91 H new ATOM 0 HD23 LEU A 24 -2.546 0.625 13.706 1.00 0.91 H new ATOM 380 N SER A 25 -0.903 4.930 11.265 1.00 0.53 N ATOM 381 CA SER A 25 0.085 6.004 11.242 1.00 0.71 C ATOM 382 C SER A 25 -0.107 6.953 12.427 1.00 0.92 C ATOM 383 O SER A 25 0.855 7.561 12.889 1.00 1.23 O ATOM 384 CB SER A 25 0.056 6.756 9.910 1.00 0.77 C ATOM 385 OG SER A 25 0.423 5.893 8.852 1.00 1.70 O ATOM 0 H SER A 25 -1.633 5.007 10.557 1.00 0.53 H new ATOM 0 HA SER A 25 1.072 5.552 11.339 1.00 0.71 H new ATOM 0 HB2 SER A 25 -0.942 7.157 9.732 1.00 0.77 H new ATOM 0 HB3 SER A 25 0.738 7.605 9.949 1.00 0.77 H new ATOM 0 HG SER A 25 0.417 6.390 8.007 1.00 1.70 H new ATOM 391 N ASN A 26 -1.346 7.099 12.896 1.00 0.95 N ATOM 392 CA ASN A 26 -1.692 7.858 14.088 1.00 1.20 C ATOM 393 C ASN A 26 -1.539 7.024 15.363 1.00 1.25 C ATOM 394 O ASN A 26 -1.257 7.585 16.421 1.00 1.47 O ATOM 395 CB ASN A 26 -3.083 8.508 13.962 1.00 1.41 C ATOM 396 CG ASN A 26 -3.231 9.444 12.758 1.00 1.61 C ATOM 397 OD1 ASN A 26 -3.338 10.656 12.919 1.00 2.17 O ATOM 398 ND2 ASN A 26 -3.231 8.926 11.538 1.00 2.18 N ATOM 0 H ASN A 26 -2.157 6.679 12.441 1.00 0.95 H new ATOM 0 HA ASN A 26 -0.976 8.675 14.175 1.00 1.20 H new ATOM 0 HB2 ASN A 26 -3.834 7.721 13.891 1.00 1.41 H new ATOM 0 HB3 ASN A 26 -3.294 9.069 14.872 1.00 1.41 H new ATOM 0 HD21 ASN A 26 -3.320 9.536 10.725 1.00 2.18 H new ATOM 0 HD22 ASN A 26 -3.142 7.918 11.412 1.00 2.18 H new ATOM 405 N GLU A 27 -1.738 5.708 15.290 1.00 1.18 N ATOM 406 CA GLU A 27 -1.685 4.804 16.417 1.00 1.32 C ATOM 407 C GLU A 27 -0.239 4.403 16.721 1.00 1.37 C ATOM 408 O GLU A 27 0.202 4.437 17.870 1.00 1.82 O ATOM 409 CB GLU A 27 -2.556 3.583 16.091 1.00 1.37 C ATOM 410 CG GLU A 27 -2.848 2.834 17.383 1.00 2.34 C ATOM 411 CD GLU A 27 -3.807 1.682 17.206 1.00 2.62 C ATOM 412 OE1 GLU A 27 -3.711 1.016 16.156 1.00 2.97 O ATOM 413 OE2 GLU A 27 -4.629 1.457 18.121 1.00 3.66 O ATOM 0 H GLU A 27 -1.947 5.235 14.411 1.00 1.18 H new ATOM 0 HA GLU A 27 -2.069 5.292 17.313 1.00 1.32 H new ATOM 0 HB2 GLU A 27 -3.486 3.898 15.618 1.00 1.37 H new ATOM 0 HB3 GLU A 27 -2.043 2.931 15.384 1.00 1.37 H new ATOM 0 HG2 GLU A 27 -1.912 2.457 17.795 1.00 2.34 H new ATOM 0 HG3 GLU A 27 -3.260 3.531 18.113 1.00 2.34 H new ATOM 420 N ARG A 28 0.517 4.027 15.695 1.00 1.11 N ATOM 421 CA ARG A 28 1.935 3.742 15.815 1.00 1.25 C ATOM 422 C ARG A 28 2.629 5.094 15.727 1.00 1.37 C ATOM 423 O ARG A 28 2.155 5.977 15.014 1.00 1.68 O ATOM 424 CB ARG A 28 2.448 2.935 14.611 1.00 1.20 C ATOM 425 CG ARG A 28 1.698 1.658 14.213 1.00 1.59 C ATOM 426 CD ARG A 28 2.257 0.410 14.897 1.00 1.53 C ATOM 427 NE ARG A 28 1.519 0.109 16.126 1.00 2.12 N ATOM 428 CZ ARG A 28 1.902 -0.803 17.030 1.00 3.28 C ATOM 429 NH1 ARG A 28 3.059 -1.443 16.862 1.00 4.07 N ATOM 430 NH2 ARG A 28 1.120 -1.071 18.076 1.00 4.60 N ATOM 0 H ARG A 28 0.155 3.911 14.748 1.00 1.11 H new ATOM 0 HA ARG A 28 2.121 3.185 16.733 1.00 1.25 H new ATOM 0 HB2 ARG A 28 2.455 3.598 13.746 1.00 1.20 H new ATOM 0 HB3 ARG A 28 3.484 2.662 14.812 1.00 1.20 H new ATOM 0 HG2 ARG A 28 0.644 1.766 14.468 1.00 1.59 H new ATOM 0 HG3 ARG A 28 1.753 1.531 13.132 1.00 1.59 H new ATOM 0 HD2 ARG A 28 2.198 -0.439 14.216 1.00 1.53 H new ATOM 0 HD3 ARG A 28 3.311 0.560 15.129 1.00 1.53 H new ATOM 0 HE ARG A 28 0.659 0.627 16.305 1.00 2.12 H new ATOM 0 HH11 ARG A 28 3.643 -1.237 16.052 1.00 4.07 H new ATOM 0 HH12 ARG A 28 3.360 -2.139 17.544 1.00 4.07 H new ATOM 0 HH21 ARG A 28 0.232 -0.582 18.187 1.00 4.60 H new ATOM 0 HH22 ARG A 28 1.410 -1.765 18.765 1.00 4.60 H new ATOM 444 N ASP A 29 3.764 5.251 16.397 1.00 1.37 N ATOM 445 CA ASP A 29 4.683 6.348 16.128 1.00 1.69 C ATOM 446 C ASP A 29 5.997 5.811 15.565 1.00 1.44 C ATOM 447 O ASP A 29 6.840 6.589 15.111 1.00 2.22 O ATOM 448 CB ASP A 29 4.916 7.170 17.397 1.00 2.28 C ATOM 449 CG ASP A 29 3.736 8.056 17.721 1.00 3.29 C ATOM 450 OD1 ASP A 29 3.581 9.098 17.049 1.00 4.51 O ATOM 451 OD2 ASP A 29 2.982 7.744 18.663 1.00 3.97 O ATOM 0 H ASP A 29 4.072 4.623 17.140 1.00 1.37 H new ATOM 0 HA ASP A 29 4.241 7.006 15.380 1.00 1.69 H new ATOM 0 HB2 ASP A 29 5.106 6.499 18.234 1.00 2.28 H new ATOM 0 HB3 ASP A 29 5.808 7.785 17.272 1.00 2.28 H new ATOM 456 N ASP A 30 6.213 4.493 15.607 1.00 1.29 N ATOM 457 CA ASP A 30 7.413 3.865 15.076 1.00 1.88 C ATOM 458 C ASP A 30 7.273 3.618 13.571 1.00 1.94 C ATOM 459 O ASP A 30 8.281 3.633 12.859 1.00 2.66 O ATOM 460 CB ASP A 30 7.742 2.583 15.847 1.00 2.53 C ATOM 461 CG ASP A 30 6.772 1.462 15.561 1.00 3.06 C ATOM 462 OD1 ASP A 30 5.590 1.607 15.925 1.00 4.07 O ATOM 463 OD2 ASP A 30 7.209 0.440 14.991 1.00 3.76 O ATOM 0 H ASP A 30 5.551 3.832 16.015 1.00 1.29 H new ATOM 0 HA ASP A 30 8.254 4.544 15.213 1.00 1.88 H new ATOM 0 HB2 ASP A 30 8.750 2.259 15.590 1.00 2.53 H new ATOM 0 HB3 ASP A 30 7.738 2.796 16.916 1.00 2.53 H new ATOM 468 N PHE A 31 6.048 3.421 13.073 1.00 1.32 N ATOM 469 CA PHE A 31 5.707 3.448 11.656 1.00 1.20 C ATOM 470 C PHE A 31 5.094 4.792 11.282 1.00 1.03 C ATOM 471 O PHE A 31 4.507 5.469 12.119 1.00 1.20 O ATOM 472 CB PHE A 31 4.845 2.234 11.295 1.00 1.20 C ATOM 473 CG PHE A 31 3.780 2.345 10.219 1.00 0.86 C ATOM 474 CD1 PHE A 31 2.589 3.042 10.482 1.00 1.60 C ATOM 475 CD2 PHE A 31 3.823 1.447 9.134 1.00 2.15 C ATOM 476 CE1 PHE A 31 1.480 2.880 9.637 1.00 1.78 C ATOM 477 CE2 PHE A 31 2.684 1.224 8.345 1.00 2.47 C ATOM 478 CZ PHE A 31 1.518 1.960 8.582 1.00 1.66 C ATOM 0 H PHE A 31 5.243 3.232 13.670 1.00 1.32 H new ATOM 0 HA PHE A 31 6.609 3.360 11.050 1.00 1.20 H new ATOM 0 HB2 PHE A 31 5.523 1.434 10.997 1.00 1.20 H new ATOM 0 HB3 PHE A 31 4.348 1.908 12.209 1.00 1.20 H new ATOM 0 HD1 PHE A 31 2.527 3.702 11.334 1.00 1.60 H new ATOM 0 HD2 PHE A 31 4.741 0.925 8.907 1.00 2.15 H new ATOM 0 HE1 PHE A 31 0.590 3.470 9.802 1.00 1.78 H new ATOM 0 HE2 PHE A 31 2.708 0.486 7.557 1.00 2.47 H new ATOM 0 HZ PHE A 31 0.651 1.819 7.954 1.00 1.66 H new ATOM 488 N GLN A 32 5.310 5.185 10.028 1.00 1.09 N ATOM 489 CA GLN A 32 4.696 6.306 9.331 1.00 0.96 C ATOM 490 C GLN A 32 4.419 5.787 7.919 1.00 0.75 C ATOM 491 O GLN A 32 4.732 4.628 7.616 1.00 0.94 O ATOM 492 CB GLN A 32 5.641 7.526 9.320 1.00 1.16 C ATOM 493 CG GLN A 32 5.502 8.329 10.626 1.00 1.45 C ATOM 494 CD GLN A 32 6.580 9.391 10.819 1.00 2.04 C ATOM 495 OE1 GLN A 32 6.295 10.570 11.014 1.00 3.00 O ATOM 496 NE2 GLN A 32 7.839 8.979 10.827 1.00 3.19 N ATOM 0 H GLN A 32 5.970 4.688 9.430 1.00 1.09 H new ATOM 0 HA GLN A 32 3.781 6.648 9.815 1.00 0.96 H new ATOM 0 HB2 GLN A 32 6.672 7.193 9.199 1.00 1.16 H new ATOM 0 HB3 GLN A 32 5.410 8.165 8.467 1.00 1.16 H new ATOM 0 HG2 GLN A 32 4.525 8.811 10.642 1.00 1.45 H new ATOM 0 HG3 GLN A 32 5.531 7.639 11.469 1.00 1.45 H new ATOM 0 HE21 GLN A 32 8.055 7.996 10.663 1.00 3.19 H new ATOM 0 HE22 GLN A 32 8.593 9.645 10.997 1.00 3.19 H new ATOM 505 N TYR A 33 3.867 6.634 7.056 1.00 0.71 N ATOM 506 CA TYR A 33 3.617 6.279 5.676 1.00 0.71 C ATOM 507 C TYR A 33 3.713 7.506 4.771 1.00 0.71 C ATOM 508 O TYR A 33 3.425 8.626 5.196 1.00 0.69 O ATOM 509 CB TYR A 33 2.258 5.572 5.568 1.00 0.81 C ATOM 510 CG TYR A 33 0.957 6.367 5.566 1.00 0.74 C ATOM 511 CD1 TYR A 33 0.793 7.578 6.268 1.00 1.94 C ATOM 512 CD2 TYR A 33 -0.149 5.818 4.890 1.00 1.79 C ATOM 513 CE1 TYR A 33 -0.418 8.289 6.174 1.00 2.04 C ATOM 514 CE2 TYR A 33 -1.356 6.522 4.798 1.00 1.77 C ATOM 515 CZ TYR A 33 -1.485 7.766 5.425 1.00 0.95 C ATOM 516 OH TYR A 33 -2.636 8.477 5.264 1.00 1.17 O ATOM 0 H TYR A 33 3.583 7.583 7.300 1.00 0.71 H new ATOM 0 HA TYR A 33 4.384 5.585 5.332 1.00 0.71 H new ATOM 0 HB2 TYR A 33 2.275 4.986 4.649 1.00 0.81 H new ATOM 0 HB3 TYR A 33 2.199 4.865 6.396 1.00 0.81 H new ATOM 0 HD1 TYR A 33 1.597 7.961 6.879 1.00 1.94 H new ATOM 0 HD2 TYR A 33 -0.066 4.841 4.437 1.00 1.79 H new ATOM 0 HE1 TYR A 33 -0.527 9.238 6.678 1.00 2.04 H new ATOM 0 HE2 TYR A 33 -2.185 6.106 4.245 1.00 1.77 H new ATOM 0 HH TYR A 33 -2.510 9.149 4.562 1.00 1.17 H new ATOM 526 N GLN A 34 4.087 7.287 3.514 1.00 0.92 N ATOM 527 CA GLN A 34 3.943 8.227 2.422 1.00 0.91 C ATOM 528 C GLN A 34 2.936 7.624 1.461 1.00 0.78 C ATOM 529 O GLN A 34 3.009 6.452 1.106 1.00 0.87 O ATOM 530 CB GLN A 34 5.293 8.466 1.754 1.00 1.03 C ATOM 531 CG GLN A 34 5.275 9.384 0.528 1.00 1.44 C ATOM 532 CD GLN A 34 4.703 10.758 0.847 1.00 1.84 C ATOM 533 OE1 GLN A 34 5.371 11.604 1.429 1.00 2.86 O ATOM 534 NE2 GLN A 34 3.457 11.009 0.478 1.00 2.99 N ATOM 0 H GLN A 34 4.517 6.409 3.222 1.00 0.92 H new ATOM 0 HA GLN A 34 3.593 9.199 2.769 1.00 0.91 H new ATOM 0 HB2 GLN A 34 5.973 8.890 2.493 1.00 1.03 H new ATOM 0 HB3 GLN A 34 5.706 7.502 1.457 1.00 1.03 H new ATOM 0 HG2 GLN A 34 6.289 9.495 0.144 1.00 1.44 H new ATOM 0 HG3 GLN A 34 4.684 8.921 -0.262 1.00 1.44 H new ATOM 0 HE21 GLN A 34 2.914 10.294 -0.006 1.00 2.99 H new ATOM 0 HE22 GLN A 34 3.039 11.918 0.677 1.00 2.99 H new ATOM 543 N TYR A 35 1.982 8.439 1.055 1.00 0.76 N ATOM 544 CA TYR A 35 0.875 8.040 0.205 1.00 0.81 C ATOM 545 C TYR A 35 0.966 8.798 -1.116 1.00 0.87 C ATOM 546 O TYR A 35 1.307 9.985 -1.136 1.00 0.99 O ATOM 547 CB TYR A 35 -0.438 8.241 0.961 1.00 1.26 C ATOM 548 CG TYR A 35 -1.678 7.897 0.166 1.00 1.35 C ATOM 549 CD1 TYR A 35 -2.079 6.566 -0.026 1.00 2.35 C ATOM 550 CD2 TYR A 35 -2.496 8.941 -0.297 1.00 2.21 C ATOM 551 CE1 TYR A 35 -3.268 6.275 -0.720 1.00 2.40 C ATOM 552 CE2 TYR A 35 -3.746 8.648 -0.857 1.00 2.62 C ATOM 553 CZ TYR A 35 -4.133 7.319 -1.082 1.00 2.01 C ATOM 554 OH TYR A 35 -5.470 7.076 -1.199 1.00 2.87 O ATOM 0 H TYR A 35 1.954 9.425 1.314 1.00 0.76 H new ATOM 0 HA TYR A 35 0.918 6.980 -0.047 1.00 0.81 H new ATOM 0 HB2 TYR A 35 -0.420 7.631 1.864 1.00 1.26 H new ATOM 0 HB3 TYR A 35 -0.503 9.281 1.280 1.00 1.26 H new ATOM 0 HD1 TYR A 35 -1.472 5.761 0.361 1.00 2.35 H new ATOM 0 HD2 TYR A 35 -2.162 9.965 -0.221 1.00 2.21 H new ATOM 0 HE1 TYR A 35 -3.513 5.254 -0.973 1.00 2.40 H new ATOM 0 HE2 TYR A 35 -4.418 9.453 -1.118 1.00 2.62 H new ATOM 0 HH TYR A 35 -5.945 7.921 -1.340 1.00 2.87 H new ATOM 564 N VAL A 36 0.730 8.100 -2.221 1.00 1.00 N ATOM 565 CA VAL A 36 1.152 8.468 -3.560 1.00 1.13 C ATOM 566 C VAL A 36 0.037 8.046 -4.530 1.00 1.22 C ATOM 567 O VAL A 36 -0.751 7.149 -4.209 1.00 1.69 O ATOM 568 CB VAL A 36 2.489 7.754 -3.850 1.00 1.03 C ATOM 569 CG1 VAL A 36 3.163 8.336 -5.093 1.00 1.32 C ATOM 570 CG2 VAL A 36 3.491 7.871 -2.696 1.00 1.17 C ATOM 0 H VAL A 36 0.214 7.220 -2.202 1.00 1.00 H new ATOM 0 HA VAL A 36 1.314 9.540 -3.672 1.00 1.13 H new ATOM 0 HB VAL A 36 2.229 6.706 -3.996 1.00 1.03 H new ATOM 0 HG11 VAL A 36 4.103 7.815 -5.275 1.00 1.32 H new ATOM 0 HG12 VAL A 36 2.507 8.212 -5.954 1.00 1.32 H new ATOM 0 HG13 VAL A 36 3.360 9.397 -4.937 1.00 1.32 H new ATOM 0 HG21 VAL A 36 4.411 7.349 -2.959 1.00 1.17 H new ATOM 0 HG22 VAL A 36 3.710 8.922 -2.510 1.00 1.17 H new ATOM 0 HG23 VAL A 36 3.065 7.425 -1.798 1.00 1.17 H new ATOM 580 N ASP A 37 -0.087 8.734 -5.669 1.00 1.12 N ATOM 581 CA ASP A 37 -1.142 8.528 -6.656 1.00 1.30 C ATOM 582 C ASP A 37 -0.553 8.183 -8.028 1.00 1.33 C ATOM 583 O ASP A 37 0.299 8.899 -8.560 1.00 1.31 O ATOM 584 CB ASP A 37 -1.993 9.793 -6.748 1.00 1.49 C ATOM 585 CG ASP A 37 -3.197 9.597 -7.646 1.00 2.46 C ATOM 586 OD1 ASP A 37 -2.994 9.341 -8.843 1.00 3.91 O ATOM 587 OD2 ASP A 37 -4.322 9.726 -7.118 1.00 2.82 O ATOM 0 H ASP A 37 0.566 9.471 -5.934 1.00 1.12 H new ATOM 0 HA ASP A 37 -1.762 7.689 -6.341 1.00 1.30 H new ATOM 0 HB2 ASP A 37 -2.326 10.080 -5.751 1.00 1.49 H new ATOM 0 HB3 ASP A 37 -1.385 10.613 -7.129 1.00 1.49 H new ATOM 592 N ILE A 38 -1.017 7.076 -8.601 1.00 1.49 N ATOM 593 CA ILE A 38 -0.519 6.540 -9.853 1.00 1.54 C ATOM 594 C ILE A 38 -1.017 7.323 -11.068 1.00 1.69 C ATOM 595 O ILE A 38 -0.410 7.242 -12.136 1.00 1.89 O ATOM 596 CB ILE A 38 -0.908 5.054 -9.962 1.00 1.65 C ATOM 597 CG1 ILE A 38 -2.434 4.862 -10.072 1.00 1.84 C ATOM 598 CG2 ILE A 38 -0.302 4.258 -8.798 1.00 1.70 C ATOM 599 CD1 ILE A 38 -2.843 3.393 -10.183 1.00 2.28 C ATOM 0 H ILE A 38 -1.767 6.518 -8.194 1.00 1.49 H new ATOM 0 HA ILE A 38 0.567 6.638 -9.851 1.00 1.54 H new ATOM 0 HB ILE A 38 -0.490 4.661 -10.888 1.00 1.65 H new ATOM 0 HG12 ILE A 38 -2.914 5.302 -9.198 1.00 1.84 H new ATOM 0 HG13 ILE A 38 -2.801 5.403 -10.944 1.00 1.84 H new ATOM 0 HG21 ILE A 38 -0.585 3.209 -8.888 1.00 1.70 H new ATOM 0 HG22 ILE A 38 0.784 4.344 -8.825 1.00 1.70 H new ATOM 0 HG23 ILE A 38 -0.674 4.655 -7.853 1.00 1.70 H new ATOM 0 HD11 ILE A 38 -3.928 3.322 -10.257 1.00 2.28 H new ATOM 0 HD12 ILE A 38 -2.389 2.955 -11.072 1.00 2.28 H new ATOM 0 HD13 ILE A 38 -2.504 2.853 -9.299 1.00 2.28 H new ATOM 611 N ARG A 39 -2.152 8.008 -10.969 1.00 1.80 N ATOM 612 CA ARG A 39 -2.713 8.813 -12.045 1.00 2.00 C ATOM 613 C ARG A 39 -2.022 10.164 -12.083 1.00 1.95 C ATOM 614 O ARG A 39 -1.690 10.677 -13.154 1.00 2.16 O ATOM 615 CB ARG A 39 -4.246 8.878 -11.910 1.00 2.37 C ATOM 616 CG ARG A 39 -4.902 10.098 -12.576 1.00 3.40 C ATOM 617 CD ARG A 39 -6.222 9.731 -13.262 1.00 3.99 C ATOM 618 NE ARG A 39 -5.983 9.123 -14.585 1.00 5.08 N ATOM 619 CZ ARG A 39 -5.922 9.796 -15.748 1.00 6.72 C ATOM 620 NH1 ARG A 39 -5.903 11.133 -15.752 1.00 7.28 N ATOM 621 NH2 ARG A 39 -5.880 9.130 -16.900 1.00 8.20 N ATOM 0 H ARG A 39 -2.718 8.018 -10.120 1.00 1.80 H new ATOM 0 HA ARG A 39 -2.526 8.354 -13.016 1.00 2.00 H new ATOM 0 HB2 ARG A 39 -4.673 7.973 -12.342 1.00 2.37 H new ATOM 0 HB3 ARG A 39 -4.503 8.878 -10.851 1.00 2.37 H new ATOM 0 HG2 ARG A 39 -5.084 10.868 -11.826 1.00 3.40 H new ATOM 0 HG3 ARG A 39 -4.217 10.524 -13.310 1.00 3.40 H new ATOM 0 HD2 ARG A 39 -6.780 9.036 -12.635 1.00 3.99 H new ATOM 0 HD3 ARG A 39 -6.837 10.624 -13.375 1.00 3.99 H new ATOM 0 HE ARG A 39 -5.854 8.112 -14.620 1.00 5.08 H new ATOM 0 HH11 ARG A 39 -5.935 11.646 -14.871 1.00 7.28 H new ATOM 0 HH12 ARG A 39 -5.857 11.640 -16.636 1.00 7.28 H new ATOM 0 HH21 ARG A 39 -5.894 8.110 -16.900 1.00 8.20 H new ATOM 0 HH22 ARG A 39 -5.834 9.640 -17.782 1.00 8.20 H new ATOM 635 N ALA A 40 -1.805 10.714 -10.901 1.00 2.29 N ATOM 636 CA ALA A 40 -1.128 11.982 -10.707 1.00 2.42 C ATOM 637 C ALA A 40 0.233 11.934 -11.389 1.00 2.31 C ATOM 638 O ALA A 40 0.544 12.805 -12.205 1.00 2.55 O ATOM 639 CB ALA A 40 -0.983 12.307 -9.220 1.00 2.42 C ATOM 0 H ALA A 40 -2.103 10.279 -10.028 1.00 2.29 H new ATOM 0 HA ALA A 40 -1.726 12.776 -11.155 1.00 2.42 H new ATOM 0 HB1 ALA A 40 -0.472 13.263 -9.105 1.00 2.42 H new ATOM 0 HB2 ALA A 40 -1.971 12.366 -8.762 1.00 2.42 H new ATOM 0 HB3 ALA A 40 -0.403 11.524 -8.731 1.00 2.42 H new ATOM 645 N GLU A 41 1.025 10.907 -11.073 1.00 2.03 N ATOM 646 CA GLU A 41 2.291 10.698 -11.742 1.00 2.14 C ATOM 647 C GLU A 41 2.035 10.156 -13.151 1.00 2.35 C ATOM 648 O GLU A 41 2.195 10.892 -14.123 1.00 3.22 O ATOM 649 CB GLU A 41 3.185 9.769 -10.916 1.00 1.93 C ATOM 650 CG GLU A 41 4.072 10.527 -9.916 1.00 2.07 C ATOM 651 CD GLU A 41 3.346 11.107 -8.720 1.00 3.51 C ATOM 652 OE1 GLU A 41 2.805 12.225 -8.848 1.00 5.10 O ATOM 653 OE2 GLU A 41 3.426 10.455 -7.655 1.00 3.73 O ATOM 0 H GLU A 41 0.804 10.214 -10.358 1.00 2.03 H new ATOM 0 HA GLU A 41 2.823 11.645 -11.837 1.00 2.14 H new ATOM 0 HB2 GLU A 41 2.560 9.059 -10.374 1.00 1.93 H new ATOM 0 HB3 GLU A 41 3.817 9.189 -11.588 1.00 1.93 H new ATOM 0 HG2 GLU A 41 4.847 9.850 -9.557 1.00 2.07 H new ATOM 0 HG3 GLU A 41 4.575 11.337 -10.443 1.00 2.07 H new ATOM 660 N GLY A 42 1.655 8.883 -13.273 1.00 1.74 N ATOM 661 CA GLY A 42 1.575 8.175 -14.547 1.00 1.78 C ATOM 662 C GLY A 42 2.211 6.793 -14.435 1.00 1.52 C ATOM 663 O GLY A 42 3.173 6.483 -15.134 1.00 1.44 O ATOM 0 H GLY A 42 1.390 8.307 -12.474 1.00 1.74 H new ATOM 0 HA2 GLY A 42 0.533 8.078 -14.850 1.00 1.78 H new ATOM 0 HA3 GLY A 42 2.080 8.752 -15.322 1.00 1.78 H new ATOM 667 N ILE A 43 1.697 5.970 -13.523 1.00 1.65 N ATOM 668 CA ILE A 43 2.187 4.628 -13.250 1.00 1.46 C ATOM 669 C ILE A 43 1.102 3.637 -13.702 1.00 1.46 C ATOM 670 O ILE A 43 -0.049 3.700 -13.260 1.00 1.69 O ATOM 671 CB ILE A 43 2.580 4.525 -11.760 1.00 1.39 C ATOM 672 CG1 ILE A 43 4.030 4.974 -11.491 1.00 1.44 C ATOM 673 CG2 ILE A 43 2.444 3.098 -11.241 1.00 1.45 C ATOM 674 CD1 ILE A 43 4.215 6.488 -11.576 1.00 2.20 C ATOM 0 H ILE A 43 0.903 6.231 -12.938 1.00 1.65 H new ATOM 0 HA ILE A 43 3.093 4.385 -13.805 1.00 1.46 H new ATOM 0 HB ILE A 43 1.891 5.192 -11.241 1.00 1.39 H new ATOM 0 HG12 ILE A 43 4.332 4.632 -10.501 1.00 1.44 H new ATOM 0 HG13 ILE A 43 4.692 4.492 -12.210 1.00 1.44 H new ATOM 0 HG21 ILE A 43 2.729 3.065 -10.189 1.00 1.45 H new ATOM 0 HG22 ILE A 43 1.410 2.769 -11.347 1.00 1.45 H new ATOM 0 HG23 ILE A 43 3.095 2.439 -11.815 1.00 1.45 H new ATOM 0 HD11 ILE A 43 5.257 6.739 -11.377 1.00 2.20 H new ATOM 0 HD12 ILE A 43 3.943 6.832 -12.574 1.00 2.20 H new ATOM 0 HD13 ILE A 43 3.577 6.974 -10.838 1.00 2.20 H new ATOM 686 N THR A 44 1.452 2.752 -14.629 1.00 1.30 N ATOM 687 CA THR A 44 0.594 1.726 -15.199 1.00 1.30 C ATOM 688 C THR A 44 0.672 0.444 -14.352 1.00 1.14 C ATOM 689 O THR A 44 1.580 0.292 -13.539 1.00 1.00 O ATOM 690 CB THR A 44 1.072 1.530 -16.647 1.00 1.27 C ATOM 691 OG1 THR A 44 2.487 1.637 -16.703 1.00 1.20 O ATOM 692 CG2 THR A 44 0.532 2.657 -17.531 1.00 1.90 C ATOM 0 H THR A 44 2.393 2.732 -15.022 1.00 1.30 H new ATOM 0 HA THR A 44 -0.459 2.008 -15.200 1.00 1.30 H new ATOM 0 HB THR A 44 0.726 0.553 -16.985 1.00 1.27 H new ATOM 0 HG1 THR A 44 2.788 1.510 -17.627 1.00 1.20 H new ATOM 0 HG21 THR A 44 0.875 2.512 -18.556 1.00 1.90 H new ATOM 0 HG22 THR A 44 -0.558 2.647 -17.508 1.00 1.90 H new ATOM 0 HG23 THR A 44 0.894 3.616 -17.160 1.00 1.90 H new ATOM 700 N LYS A 45 -0.260 -0.498 -14.509 1.00 1.27 N ATOM 701 CA LYS A 45 -0.285 -1.715 -13.734 1.00 1.23 C ATOM 702 C LYS A 45 0.943 -2.575 -14.025 1.00 1.06 C ATOM 703 O LYS A 45 1.497 -3.190 -13.119 1.00 1.00 O ATOM 704 CB LYS A 45 -1.589 -2.462 -14.024 1.00 1.53 C ATOM 705 CG LYS A 45 -2.662 -2.247 -12.951 1.00 1.20 C ATOM 706 CD LYS A 45 -3.574 -1.071 -13.327 1.00 2.31 C ATOM 707 CE LYS A 45 -4.987 -1.558 -13.668 1.00 3.02 C ATOM 708 NZ LYS A 45 -5.046 -2.618 -14.701 1.00 3.20 N ATOM 0 H LYS A 45 -1.020 -0.426 -15.186 1.00 1.27 H new ATOM 0 HA LYS A 45 -0.250 -1.474 -12.672 1.00 1.23 H new ATOM 0 HB2 LYS A 45 -1.979 -2.137 -14.988 1.00 1.53 H new ATOM 0 HB3 LYS A 45 -1.378 -3.528 -14.109 1.00 1.53 H new ATOM 0 HG2 LYS A 45 -3.257 -3.153 -12.837 1.00 1.20 H new ATOM 0 HG3 LYS A 45 -2.188 -2.053 -11.989 1.00 1.20 H new ATOM 0 HD2 LYS A 45 -3.620 -0.363 -12.500 1.00 2.31 H new ATOM 0 HD3 LYS A 45 -3.153 -0.538 -14.180 1.00 2.31 H new ATOM 0 HE2 LYS A 45 -5.457 -1.930 -12.758 1.00 3.02 H new ATOM 0 HE3 LYS A 45 -5.578 -0.707 -14.007 1.00 3.02 H new ATOM 0 HZ1 LYS A 45 -6.021 -2.708 -15.051 1.00 3.20 H new ATOM 0 HZ2 LYS A 45 -4.416 -2.369 -15.490 1.00 3.20 H new ATOM 0 HZ3 LYS A 45 -4.742 -3.523 -14.288 1.00 3.20 H new ATOM 722 N GLU A 46 1.372 -2.664 -15.277 1.00 1.08 N ATOM 723 CA GLU A 46 2.607 -3.310 -15.640 1.00 0.96 C ATOM 724 C GLU A 46 3.753 -2.750 -14.793 1.00 0.74 C ATOM 725 O GLU A 46 4.476 -3.508 -14.148 1.00 0.72 O ATOM 726 CB GLU A 46 2.821 -3.102 -17.144 1.00 1.03 C ATOM 727 CG GLU A 46 2.278 -1.769 -17.702 1.00 1.88 C ATOM 728 CD GLU A 46 2.925 -1.372 -19.009 1.00 2.08 C ATOM 729 OE1 GLU A 46 4.105 -1.727 -19.219 1.00 2.46 O ATOM 730 OE2 GLU A 46 2.248 -0.691 -19.809 1.00 2.94 O ATOM 0 H GLU A 46 0.859 -2.282 -16.072 1.00 1.08 H new ATOM 0 HA GLU A 46 2.573 -4.381 -15.442 1.00 0.96 H new ATOM 0 HB2 GLU A 46 3.889 -3.159 -17.355 1.00 1.03 H new ATOM 0 HB3 GLU A 46 2.346 -3.923 -17.680 1.00 1.03 H new ATOM 0 HG2 GLU A 46 1.201 -1.853 -17.846 1.00 1.88 H new ATOM 0 HG3 GLU A 46 2.441 -0.980 -16.967 1.00 1.88 H new ATOM 737 N ASP A 47 3.869 -1.420 -14.772 1.00 0.71 N ATOM 738 CA ASP A 47 4.943 -0.734 -14.078 1.00 0.68 C ATOM 739 C ASP A 47 4.873 -1.134 -12.615 1.00 0.61 C ATOM 740 O ASP A 47 5.834 -1.672 -12.085 1.00 0.61 O ATOM 741 CB ASP A 47 4.816 0.785 -14.190 1.00 0.86 C ATOM 742 CG ASP A 47 5.922 1.421 -13.372 1.00 0.99 C ATOM 743 OD1 ASP A 47 7.029 1.514 -13.952 1.00 1.47 O ATOM 744 OD2 ASP A 47 5.678 1.795 -12.214 1.00 1.90 O ATOM 0 H ASP A 47 3.214 -0.793 -15.240 1.00 0.71 H new ATOM 0 HA ASP A 47 5.894 -1.016 -14.529 1.00 0.68 H new ATOM 0 HB2 ASP A 47 4.889 1.095 -15.232 1.00 0.86 H new ATOM 0 HB3 ASP A 47 3.841 1.111 -13.828 1.00 0.86 H new ATOM 749 N LEU A 48 3.705 -0.944 -12.000 1.00 0.62 N ATOM 750 CA LEU A 48 3.415 -1.347 -10.642 1.00 0.62 C ATOM 751 C LEU A 48 3.907 -2.764 -10.358 1.00 0.52 C ATOM 752 O LEU A 48 4.649 -2.976 -9.408 1.00 0.56 O ATOM 753 CB LEU A 48 1.904 -1.266 -10.413 1.00 0.77 C ATOM 754 CG LEU A 48 1.334 0.123 -10.124 1.00 1.18 C ATOM 755 CD1 LEU A 48 -0.191 0.078 -9.963 1.00 1.45 C ATOM 756 CD2 LEU A 48 1.921 0.740 -8.851 1.00 1.35 C ATOM 0 H LEU A 48 2.915 -0.489 -12.457 1.00 0.62 H new ATOM 0 HA LEU A 48 3.938 -0.675 -9.962 1.00 0.62 H new ATOM 0 HB2 LEU A 48 1.403 -1.664 -11.295 1.00 0.77 H new ATOM 0 HB3 LEU A 48 1.649 -1.920 -9.579 1.00 0.77 H new ATOM 0 HG LEU A 48 1.607 0.737 -10.982 1.00 1.18 H new ATOM 0 HD11 LEU A 48 -0.565 1.081 -9.758 1.00 1.45 H new ATOM 0 HD12 LEU A 48 -0.643 -0.298 -10.881 1.00 1.45 H new ATOM 0 HD13 LEU A 48 -0.450 -0.582 -9.135 1.00 1.45 H new ATOM 0 HD21 LEU A 48 1.484 1.726 -8.690 1.00 1.35 H new ATOM 0 HD22 LEU A 48 1.695 0.099 -7.999 1.00 1.35 H new ATOM 0 HD23 LEU A 48 3.002 0.835 -8.958 1.00 1.35 H new ATOM 768 N GLN A 49 3.501 -3.751 -11.159 1.00 0.55 N ATOM 769 CA GLN A 49 3.881 -5.135 -10.959 1.00 0.60 C ATOM 770 C GLN A 49 5.405 -5.296 -11.008 1.00 0.65 C ATOM 771 O GLN A 49 5.982 -6.125 -10.301 1.00 0.69 O ATOM 772 CB GLN A 49 3.089 -5.991 -11.963 1.00 0.74 C ATOM 773 CG GLN A 49 3.904 -6.844 -12.937 1.00 0.87 C ATOM 774 CD GLN A 49 3.024 -7.515 -13.991 1.00 1.06 C ATOM 775 OE1 GLN A 49 3.492 -7.838 -15.077 1.00 1.33 O ATOM 776 NE2 GLN A 49 1.740 -7.725 -13.715 1.00 1.24 N ATOM 0 H GLN A 49 2.896 -3.603 -11.967 1.00 0.55 H new ATOM 0 HA GLN A 49 3.618 -5.491 -9.963 1.00 0.60 H new ATOM 0 HB2 GLN A 49 2.431 -6.653 -11.400 1.00 0.74 H new ATOM 0 HB3 GLN A 49 2.450 -5.327 -12.546 1.00 0.74 H new ATOM 0 HG2 GLN A 49 4.647 -6.218 -13.431 1.00 0.87 H new ATOM 0 HG3 GLN A 49 4.449 -7.607 -12.381 1.00 0.87 H new ATOM 0 HE21 GLN A 49 1.362 -7.452 -12.808 1.00 1.24 H new ATOM 0 HE22 GLN A 49 1.133 -8.159 -14.411 1.00 1.24 H new ATOM 785 N GLN A 50 6.074 -4.507 -11.842 1.00 0.72 N ATOM 786 CA GLN A 50 7.518 -4.532 -11.986 1.00 0.84 C ATOM 787 C GLN A 50 8.187 -3.889 -10.761 1.00 0.98 C ATOM 788 O GLN A 50 9.090 -4.469 -10.162 1.00 1.22 O ATOM 789 CB GLN A 50 7.870 -3.851 -13.319 1.00 0.78 C ATOM 790 CG GLN A 50 8.978 -4.591 -14.066 1.00 1.06 C ATOM 791 CD GLN A 50 10.348 -4.249 -13.510 1.00 2.89 C ATOM 792 OE1 GLN A 50 10.836 -4.877 -12.576 1.00 4.40 O ATOM 793 NE2 GLN A 50 10.972 -3.222 -14.061 1.00 3.86 N ATOM 0 H GLN A 50 5.617 -3.823 -12.445 1.00 0.72 H new ATOM 0 HA GLN A 50 7.902 -5.552 -12.020 1.00 0.84 H new ATOM 0 HB2 GLN A 50 6.980 -3.802 -13.947 1.00 0.78 H new ATOM 0 HB3 GLN A 50 8.184 -2.824 -13.130 1.00 0.78 H new ATOM 0 HG2 GLN A 50 8.812 -5.666 -13.993 1.00 1.06 H new ATOM 0 HG3 GLN A 50 8.939 -4.334 -15.125 1.00 1.06 H new ATOM 0 HE21 GLN A 50 10.540 -2.719 -14.837 1.00 3.86 H new ATOM 0 HE22 GLN A 50 11.885 -2.932 -13.711 1.00 3.86 H new ATOM 802 N LYS A 51 7.728 -2.704 -10.362 1.00 0.93 N ATOM 803 CA LYS A 51 8.154 -1.952 -9.186 1.00 1.17 C ATOM 804 C LYS A 51 8.021 -2.851 -7.959 1.00 1.18 C ATOM 805 O LYS A 51 8.927 -2.962 -7.137 1.00 1.44 O ATOM 806 CB LYS A 51 7.272 -0.693 -9.065 1.00 1.19 C ATOM 807 CG LYS A 51 7.966 0.539 -8.463 1.00 1.76 C ATOM 808 CD LYS A 51 8.181 0.463 -6.948 1.00 1.90 C ATOM 809 CE LYS A 51 8.493 1.840 -6.339 1.00 2.09 C ATOM 810 NZ LYS A 51 9.719 2.472 -6.861 1.00 2.93 N ATOM 0 H LYS A 51 7.003 -2.214 -10.886 1.00 0.93 H new ATOM 0 HA LYS A 51 9.194 -1.637 -9.269 1.00 1.17 H new ATOM 0 HB2 LYS A 51 6.901 -0.433 -10.056 1.00 1.19 H new ATOM 0 HB3 LYS A 51 6.403 -0.935 -8.453 1.00 1.19 H new ATOM 0 HG2 LYS A 51 8.933 0.671 -8.949 1.00 1.76 H new ATOM 0 HG3 LYS A 51 7.371 1.424 -8.690 1.00 1.76 H new ATOM 0 HD2 LYS A 51 7.289 0.052 -6.476 1.00 1.90 H new ATOM 0 HD3 LYS A 51 9.001 -0.223 -6.732 1.00 1.90 H new ATOM 0 HE2 LYS A 51 7.649 2.505 -6.523 1.00 2.09 H new ATOM 0 HE3 LYS A 51 8.585 1.734 -5.258 1.00 2.09 H new ATOM 0 HZ1 LYS A 51 9.857 3.394 -6.401 1.00 2.93 H new ATOM 0 HZ2 LYS A 51 10.536 1.860 -6.663 1.00 2.93 H new ATOM 0 HZ3 LYS A 51 9.629 2.608 -7.888 1.00 2.93 H new ATOM 824 N ALA A 52 6.870 -3.506 -7.857 1.00 0.92 N ATOM 825 CA ALA A 52 6.544 -4.479 -6.834 1.00 0.96 C ATOM 826 C ALA A 52 7.503 -5.657 -6.893 1.00 1.12 C ATOM 827 O ALA A 52 8.095 -6.038 -5.882 1.00 1.45 O ATOM 828 CB ALA A 52 5.101 -4.957 -7.021 1.00 0.83 C ATOM 0 H ALA A 52 6.107 -3.363 -8.518 1.00 0.92 H new ATOM 0 HA ALA A 52 6.641 -4.010 -5.855 1.00 0.96 H new ATOM 0 HB1 ALA A 52 4.857 -5.689 -6.251 1.00 0.83 H new ATOM 0 HB2 ALA A 52 4.423 -4.107 -6.942 1.00 0.83 H new ATOM 0 HB3 ALA A 52 4.994 -5.416 -8.004 1.00 0.83 H new ATOM 834 N GLY A 53 7.646 -6.221 -8.087 1.00 0.96 N ATOM 835 CA GLY A 53 8.377 -7.444 -8.340 1.00 1.09 C ATOM 836 C GLY A 53 7.466 -8.666 -8.218 1.00 1.10 C ATOM 837 O GLY A 53 7.965 -9.777 -8.046 1.00 1.30 O ATOM 0 H GLY A 53 7.239 -5.820 -8.932 1.00 0.96 H new ATOM 0 HA2 GLY A 53 8.814 -7.410 -9.338 1.00 1.09 H new ATOM 0 HA3 GLY A 53 9.203 -7.530 -7.634 1.00 1.09 H new ATOM 841 N LYS A 54 6.148 -8.489 -8.353 1.00 1.07 N ATOM 842 CA LYS A 54 5.143 -9.551 -8.312 1.00 1.16 C ATOM 843 C LYS A 54 4.217 -9.336 -9.514 1.00 1.05 C ATOM 844 O LYS A 54 4.068 -8.195 -9.950 1.00 0.90 O ATOM 845 CB LYS A 54 4.340 -9.486 -6.994 1.00 1.21 C ATOM 846 CG LYS A 54 4.927 -10.361 -5.876 1.00 2.15 C ATOM 847 CD LYS A 54 4.402 -10.035 -4.469 1.00 2.26 C ATOM 848 CE LYS A 54 2.872 -10.062 -4.273 1.00 2.27 C ATOM 849 NZ LYS A 54 2.262 -11.402 -4.131 1.00 2.35 N ATOM 0 H LYS A 54 5.738 -7.566 -8.499 1.00 1.07 H new ATOM 0 HA LYS A 54 5.615 -10.532 -8.356 1.00 1.16 H new ATOM 0 HB2 LYS A 54 4.300 -8.452 -6.652 1.00 1.21 H new ATOM 0 HB3 LYS A 54 3.313 -9.797 -7.187 1.00 1.21 H new ATOM 0 HG2 LYS A 54 4.710 -11.406 -6.098 1.00 2.15 H new ATOM 0 HG3 LYS A 54 6.012 -10.253 -5.879 1.00 2.15 H new ATOM 0 HD2 LYS A 54 4.847 -10.742 -3.768 1.00 2.26 H new ATOM 0 HD3 LYS A 54 4.762 -9.044 -4.193 1.00 2.26 H new ATOM 0 HE2 LYS A 54 2.629 -9.477 -3.386 1.00 2.27 H new ATOM 0 HE3 LYS A 54 2.408 -9.561 -5.122 1.00 2.27 H new ATOM 0 HZ1 LYS A 54 1.234 -11.304 -4.005 1.00 2.35 H new ATOM 0 HZ2 LYS A 54 2.454 -11.963 -4.985 1.00 2.35 H new ATOM 0 HZ3 LYS A 54 2.668 -11.882 -3.303 1.00 2.35 H new ATOM 863 N PRO A 55 3.563 -10.381 -10.042 1.00 1.23 N ATOM 864 CA PRO A 55 2.620 -10.273 -11.148 1.00 1.27 C ATOM 865 C PRO A 55 1.278 -9.688 -10.676 1.00 1.10 C ATOM 866 O PRO A 55 0.212 -10.252 -10.930 1.00 1.23 O ATOM 867 CB PRO A 55 2.492 -11.706 -11.680 1.00 1.64 C ATOM 868 CG PRO A 55 2.708 -12.562 -10.433 1.00 1.76 C ATOM 869 CD PRO A 55 3.755 -11.768 -9.659 1.00 1.57 C ATOM 0 HA PRO A 55 2.956 -9.591 -11.929 1.00 1.27 H new ATOM 0 HB2 PRO A 55 1.513 -11.884 -12.126 1.00 1.64 H new ATOM 0 HB3 PRO A 55 3.236 -11.918 -12.448 1.00 1.64 H new ATOM 0 HG2 PRO A 55 1.788 -12.684 -9.861 1.00 1.76 H new ATOM 0 HG3 PRO A 55 3.062 -13.562 -10.684 1.00 1.76 H new ATOM 0 HD2 PRO A 55 3.628 -11.898 -8.584 1.00 1.57 H new ATOM 0 HD3 PRO A 55 4.762 -12.106 -9.904 1.00 1.57 H new ATOM 877 N VAL A 56 1.304 -8.541 -10.003 1.00 1.02 N ATOM 878 CA VAL A 56 0.120 -7.898 -9.450 1.00 0.97 C ATOM 879 C VAL A 56 -0.708 -7.259 -10.570 1.00 0.99 C ATOM 880 O VAL A 56 -0.182 -7.016 -11.664 1.00 1.43 O ATOM 881 CB VAL A 56 0.481 -6.969 -8.292 1.00 1.02 C ATOM 882 CG1 VAL A 56 1.765 -7.340 -7.555 1.00 1.65 C ATOM 883 CG2 VAL A 56 0.635 -5.582 -8.830 1.00 2.34 C ATOM 0 H VAL A 56 2.165 -8.024 -9.824 1.00 1.02 H new ATOM 0 HA VAL A 56 -0.532 -8.646 -8.998 1.00 0.97 H new ATOM 0 HB VAL A 56 -0.328 -7.056 -7.567 1.00 1.02 H new ATOM 0 HG11 VAL A 56 1.942 -6.626 -6.750 1.00 1.65 H new ATOM 0 HG12 VAL A 56 1.668 -8.342 -7.137 1.00 1.65 H new ATOM 0 HG13 VAL A 56 2.604 -7.317 -8.251 1.00 1.65 H new ATOM 0 HG21 VAL A 56 0.893 -4.903 -8.017 1.00 2.34 H new ATOM 0 HG22 VAL A 56 1.426 -5.568 -9.579 1.00 2.34 H new ATOM 0 HG23 VAL A 56 -0.302 -5.262 -9.286 1.00 2.34 H new ATOM 893 N GLU A 57 -1.984 -6.970 -10.321 1.00 0.94 N ATOM 894 CA GLU A 57 -2.848 -6.310 -11.292 1.00 1.10 C ATOM 895 C GLU A 57 -3.814 -5.308 -10.655 1.00 1.09 C ATOM 896 O GLU A 57 -4.587 -4.706 -11.396 1.00 1.41 O ATOM 897 CB GLU A 57 -3.580 -7.369 -12.137 1.00 1.37 C ATOM 898 CG GLU A 57 -3.410 -7.131 -13.649 1.00 2.06 C ATOM 899 CD GLU A 57 -4.523 -6.290 -14.237 1.00 2.22 C ATOM 900 OE1 GLU A 57 -5.653 -6.819 -14.273 1.00 2.69 O ATOM 901 OE2 GLU A 57 -4.251 -5.186 -14.765 1.00 3.22 O ATOM 0 H GLU A 57 -2.446 -7.188 -9.438 1.00 0.94 H new ATOM 0 HA GLU A 57 -2.216 -5.712 -11.949 1.00 1.10 H new ATOM 0 HB2 GLU A 57 -3.201 -8.359 -11.883 1.00 1.37 H new ATOM 0 HB3 GLU A 57 -4.641 -7.360 -11.887 1.00 1.37 H new ATOM 0 HG2 GLU A 57 -2.454 -6.639 -13.830 1.00 2.06 H new ATOM 0 HG3 GLU A 57 -3.376 -8.092 -14.162 1.00 2.06 H new ATOM 908 N THR A 58 -3.803 -5.121 -9.329 1.00 1.20 N ATOM 909 CA THR A 58 -4.769 -4.250 -8.671 1.00 1.33 C ATOM 910 C THR A 58 -4.109 -3.118 -7.881 1.00 1.23 C ATOM 911 O THR A 58 -2.950 -3.228 -7.485 1.00 1.24 O ATOM 912 CB THR A 58 -5.716 -5.077 -7.797 1.00 1.39 C ATOM 913 OG1 THR A 58 -5.045 -5.724 -6.732 1.00 1.39 O ATOM 914 CG2 THR A 58 -6.480 -6.133 -8.589 1.00 1.57 C ATOM 0 H THR A 58 -3.135 -5.563 -8.697 1.00 1.20 H new ATOM 0 HA THR A 58 -5.353 -3.762 -9.451 1.00 1.33 H new ATOM 0 HB THR A 58 -6.422 -4.350 -7.394 1.00 1.39 H new ATOM 0 HG1 THR A 58 -5.690 -6.237 -6.202 1.00 1.39 H new ATOM 0 HG21 THR A 58 -7.135 -6.688 -7.918 1.00 1.57 H new ATOM 0 HG22 THR A 58 -7.078 -5.647 -9.360 1.00 1.57 H new ATOM 0 HG23 THR A 58 -5.774 -6.819 -9.056 1.00 1.57 H new ATOM 922 N VAL A 59 -4.857 -2.038 -7.641 1.00 1.36 N ATOM 923 CA VAL A 59 -4.452 -0.900 -6.823 1.00 1.17 C ATOM 924 C VAL A 59 -5.223 -0.966 -5.496 1.00 1.00 C ATOM 925 O VAL A 59 -6.352 -1.459 -5.484 1.00 1.23 O ATOM 926 CB VAL A 59 -4.696 0.424 -7.585 1.00 1.36 C ATOM 927 CG1 VAL A 59 -4.468 0.253 -9.094 1.00 1.52 C ATOM 928 CG2 VAL A 59 -6.076 1.055 -7.329 1.00 1.66 C ATOM 0 H VAL A 59 -5.795 -1.932 -8.027 1.00 1.36 H new ATOM 0 HA VAL A 59 -3.384 -0.937 -6.607 1.00 1.17 H new ATOM 0 HB VAL A 59 -3.960 1.119 -7.181 1.00 1.36 H new ATOM 0 HG11 VAL A 59 -4.648 1.202 -9.599 1.00 1.52 H new ATOM 0 HG12 VAL A 59 -3.441 -0.064 -9.273 1.00 1.52 H new ATOM 0 HG13 VAL A 59 -5.153 -0.500 -9.482 1.00 1.52 H new ATOM 0 HG21 VAL A 59 -6.165 1.979 -7.900 1.00 1.66 H new ATOM 0 HG22 VAL A 59 -6.857 0.360 -7.638 1.00 1.66 H new ATOM 0 HG23 VAL A 59 -6.185 1.273 -6.267 1.00 1.66 H new ATOM 938 N PRO A 60 -4.683 -0.458 -4.381 1.00 0.74 N ATOM 939 CA PRO A 60 -3.386 0.159 -4.263 1.00 0.67 C ATOM 940 C PRO A 60 -2.363 -0.942 -4.040 1.00 0.53 C ATOM 941 O PRO A 60 -2.710 -2.120 -3.966 1.00 0.54 O ATOM 942 CB PRO A 60 -3.501 1.040 -3.018 1.00 0.62 C ATOM 943 CG PRO A 60 -4.361 0.180 -2.104 1.00 0.55 C ATOM 944 CD PRO A 60 -5.292 -0.550 -3.070 1.00 0.70 C ATOM 0 HA PRO A 60 -3.085 0.734 -5.139 1.00 0.67 H new ATOM 0 HB2 PRO A 60 -2.527 1.256 -2.579 1.00 0.62 H new ATOM 0 HB3 PRO A 60 -3.971 1.999 -3.238 1.00 0.62 H new ATOM 0 HG2 PRO A 60 -3.757 -0.518 -1.525 1.00 0.55 H new ATOM 0 HG3 PRO A 60 -4.919 0.787 -1.391 1.00 0.55 H new ATOM 0 HD2 PRO A 60 -5.418 -1.591 -2.774 1.00 0.70 H new ATOM 0 HD3 PRO A 60 -6.283 -0.096 -3.070 1.00 0.70 H new ATOM 952 N GLN A 61 -1.113 -0.532 -3.897 1.00 0.62 N ATOM 953 CA GLN A 61 -0.021 -1.369 -3.470 1.00 0.64 C ATOM 954 C GLN A 61 0.698 -0.596 -2.374 1.00 0.63 C ATOM 955 O GLN A 61 1.268 0.467 -2.636 1.00 0.73 O ATOM 956 CB GLN A 61 0.868 -1.671 -4.672 1.00 0.82 C ATOM 957 CG GLN A 61 0.166 -2.690 -5.577 1.00 1.12 C ATOM 958 CD GLN A 61 0.709 -2.663 -6.991 1.00 1.65 C ATOM 959 OE1 GLN A 61 1.905 -2.497 -7.206 1.00 3.12 O ATOM 960 NE2 GLN A 61 -0.181 -2.807 -7.966 1.00 1.90 N ATOM 0 H GLN A 61 -0.828 0.429 -4.084 1.00 0.62 H new ATOM 0 HA GLN A 61 -0.343 -2.333 -3.076 1.00 0.64 H new ATOM 0 HB2 GLN A 61 1.073 -0.755 -5.227 1.00 0.82 H new ATOM 0 HB3 GLN A 61 1.829 -2.064 -4.339 1.00 0.82 H new ATOM 0 HG2 GLN A 61 0.289 -3.690 -5.161 1.00 1.12 H new ATOM 0 HG3 GLN A 61 -0.904 -2.482 -5.596 1.00 1.12 H new ATOM 0 HE21 GLN A 61 -1.167 -2.943 -7.741 1.00 1.90 H new ATOM 0 HE22 GLN A 61 0.121 -2.782 -8.940 1.00 1.90 H new ATOM 969 N ILE A 62 0.604 -1.093 -1.146 1.00 0.59 N ATOM 970 CA ILE A 62 1.406 -0.649 -0.029 1.00 0.62 C ATOM 971 C ILE A 62 2.728 -1.407 -0.097 1.00 0.59 C ATOM 972 O ILE A 62 2.753 -2.615 -0.338 1.00 0.60 O ATOM 973 CB ILE A 62 0.634 -0.860 1.289 1.00 0.65 C ATOM 974 CG1 ILE A 62 -0.400 0.271 1.480 1.00 0.66 C ATOM 975 CG2 ILE A 62 1.565 -0.903 2.503 1.00 0.70 C ATOM 976 CD1 ILE A 62 -1.810 -0.259 1.370 1.00 0.61 C ATOM 0 H ILE A 62 -0.051 -1.835 -0.901 1.00 0.59 H new ATOM 0 HA ILE A 62 1.621 0.419 -0.071 1.00 0.62 H new ATOM 0 HB ILE A 62 0.130 -1.824 1.218 1.00 0.65 H new ATOM 0 HG12 ILE A 62 -0.258 0.737 2.455 1.00 0.66 H new ATOM 0 HG13 ILE A 62 -0.239 1.046 0.730 1.00 0.66 H new ATOM 0 HG21 ILE A 62 0.976 -1.053 3.408 1.00 0.70 H new ATOM 0 HG22 ILE A 62 2.273 -1.724 2.390 1.00 0.70 H new ATOM 0 HG23 ILE A 62 2.110 0.038 2.577 1.00 0.70 H new ATOM 0 HD11 ILE A 62 -2.518 0.558 1.508 1.00 0.61 H new ATOM 0 HD12 ILE A 62 -1.956 -0.703 0.385 1.00 0.61 H new ATOM 0 HD13 ILE A 62 -1.975 -1.016 2.137 1.00 0.61 H new ATOM 988 N PHE A 63 3.814 -0.665 0.092 1.00 0.59 N ATOM 989 CA PHE A 63 5.186 -1.114 0.165 1.00 0.51 C ATOM 990 C PHE A 63 5.658 -0.779 1.571 1.00 0.60 C ATOM 991 O PHE A 63 5.697 0.394 1.935 1.00 0.79 O ATOM 992 CB PHE A 63 6.051 -0.360 -0.854 1.00 0.44 C ATOM 993 CG PHE A 63 5.845 -0.730 -2.311 1.00 0.43 C ATOM 994 CD1 PHE A 63 4.623 -0.457 -2.956 1.00 1.84 C ATOM 995 CD2 PHE A 63 6.920 -1.255 -3.053 1.00 1.63 C ATOM 996 CE1 PHE A 63 4.455 -0.783 -4.313 1.00 1.98 C ATOM 997 CE2 PHE A 63 6.758 -1.557 -4.414 1.00 1.54 C ATOM 998 CZ PHE A 63 5.509 -1.369 -5.032 1.00 0.65 C ATOM 0 H PHE A 63 3.744 0.346 0.206 1.00 0.59 H new ATOM 0 HA PHE A 63 5.264 -2.179 -0.054 1.00 0.51 H new ATOM 0 HB2 PHE A 63 5.861 0.707 -0.741 1.00 0.44 H new ATOM 0 HB3 PHE A 63 7.099 -0.526 -0.603 1.00 0.44 H new ATOM 0 HD1 PHE A 63 3.814 0.003 -2.408 1.00 1.84 H new ATOM 0 HD2 PHE A 63 7.872 -1.426 -2.573 1.00 1.63 H new ATOM 0 HE1 PHE A 63 3.514 -0.582 -4.803 1.00 1.98 H new ATOM 0 HE2 PHE A 63 7.593 -1.934 -4.987 1.00 1.54 H new ATOM 0 HZ PHE A 63 5.361 -1.675 -6.057 1.00 0.65 H new ATOM 1008 N VAL A 64 6.000 -1.781 2.366 1.00 0.55 N ATOM 1009 CA VAL A 64 6.529 -1.585 3.700 1.00 0.63 C ATOM 1010 C VAL A 64 8.033 -1.381 3.554 1.00 0.57 C ATOM 1011 O VAL A 64 8.722 -2.278 3.072 1.00 0.74 O ATOM 1012 CB VAL A 64 6.168 -2.802 4.566 1.00 0.90 C ATOM 1013 CG1 VAL A 64 7.086 -2.906 5.783 1.00 1.33 C ATOM 1014 CG2 VAL A 64 4.710 -2.690 5.033 1.00 1.06 C ATOM 0 H VAL A 64 5.916 -2.761 2.097 1.00 0.55 H new ATOM 0 HA VAL A 64 6.105 -0.713 4.198 1.00 0.63 H new ATOM 0 HB VAL A 64 6.296 -3.700 3.961 1.00 0.90 H new ATOM 0 HG11 VAL A 64 6.806 -3.776 6.376 1.00 1.33 H new ATOM 0 HG12 VAL A 64 8.119 -3.010 5.452 1.00 1.33 H new ATOM 0 HG13 VAL A 64 6.988 -2.006 6.390 1.00 1.33 H new ATOM 0 HG21 VAL A 64 4.457 -3.555 5.647 1.00 1.06 H new ATOM 0 HG22 VAL A 64 4.585 -1.780 5.619 1.00 1.06 H new ATOM 0 HG23 VAL A 64 4.052 -2.656 4.165 1.00 1.06 H new ATOM 1024 N ASP A 65 8.528 -0.208 3.951 1.00 0.58 N ATOM 1025 CA ASP A 65 9.910 0.247 3.841 1.00 0.86 C ATOM 1026 C ASP A 65 10.366 0.309 2.376 1.00 1.23 C ATOM 1027 O ASP A 65 10.521 1.396 1.822 1.00 2.95 O ATOM 1028 CB ASP A 65 10.835 -0.555 4.771 1.00 1.04 C ATOM 1029 CG ASP A 65 12.127 0.187 5.040 1.00 1.95 C ATOM 1030 OD1 ASP A 65 12.711 0.696 4.063 1.00 3.28 O ATOM 1031 OD2 ASP A 65 12.549 0.245 6.219 1.00 2.40 O ATOM 0 H ASP A 65 7.932 0.495 4.387 1.00 0.58 H new ATOM 0 HA ASP A 65 9.973 1.276 4.196 1.00 0.86 H new ATOM 0 HB2 ASP A 65 10.324 -0.752 5.713 1.00 1.04 H new ATOM 0 HB3 ASP A 65 11.056 -1.522 4.320 1.00 1.04 H new ATOM 1036 N GLN A 66 10.514 -0.843 1.719 1.00 0.90 N ATOM 1037 CA GLN A 66 10.644 -0.969 0.276 1.00 0.77 C ATOM 1038 C GLN A 66 10.101 -2.305 -0.268 1.00 0.65 C ATOM 1039 O GLN A 66 10.082 -2.518 -1.479 1.00 0.86 O ATOM 1040 CB GLN A 66 12.102 -0.691 -0.135 1.00 0.92 C ATOM 1041 CG GLN A 66 12.289 -0.483 -1.644 1.00 1.87 C ATOM 1042 CD GLN A 66 13.664 0.072 -1.999 1.00 2.33 C ATOM 1043 OE1 GLN A 66 14.362 0.637 -1.159 1.00 2.94 O ATOM 1044 NE2 GLN A 66 14.092 -0.109 -3.238 1.00 3.36 N ATOM 0 H GLN A 66 10.547 -1.742 2.199 1.00 0.90 H new ATOM 0 HA GLN A 66 10.010 -0.216 -0.192 1.00 0.77 H new ATOM 0 HB2 GLN A 66 12.456 0.195 0.391 1.00 0.92 H new ATOM 0 HB3 GLN A 66 12.726 -1.524 0.188 1.00 0.92 H new ATOM 0 HG2 GLN A 66 12.142 -1.433 -2.158 1.00 1.87 H new ATOM 0 HG3 GLN A 66 11.522 0.199 -2.010 1.00 1.87 H new ATOM 0 HE21 GLN A 66 13.497 -0.580 -3.919 1.00 3.36 H new ATOM 0 HE22 GLN A 66 15.017 0.223 -3.512 1.00 3.36 H new ATOM 1053 N GLN A 67 9.635 -3.219 0.586 1.00 0.60 N ATOM 1054 CA GLN A 67 9.088 -4.487 0.144 1.00 0.59 C ATOM 1055 C GLN A 67 7.633 -4.190 -0.201 1.00 0.50 C ATOM 1056 O GLN A 67 6.870 -3.809 0.682 1.00 0.58 O ATOM 1057 CB GLN A 67 9.208 -5.503 1.293 1.00 0.65 C ATOM 1058 CG GLN A 67 8.229 -6.688 1.254 1.00 0.78 C ATOM 1059 CD GLN A 67 8.776 -7.854 0.439 1.00 1.85 C ATOM 1060 OE1 GLN A 67 9.035 -8.916 0.998 1.00 2.42 O ATOM 1061 NE2 GLN A 67 9.034 -7.685 -0.852 1.00 3.47 N ATOM 0 H GLN A 67 9.630 -3.094 1.598 1.00 0.60 H new ATOM 0 HA GLN A 67 9.607 -4.912 -0.715 1.00 0.59 H new ATOM 0 HB2 GLN A 67 10.224 -5.898 1.297 1.00 0.65 H new ATOM 0 HB3 GLN A 67 9.068 -4.973 2.235 1.00 0.65 H new ATOM 0 HG2 GLN A 67 8.023 -7.022 2.271 1.00 0.78 H new ATOM 0 HG3 GLN A 67 7.281 -6.361 0.828 1.00 0.78 H new ATOM 0 HE21 GLN A 67 8.814 -6.798 -1.304 1.00 3.47 H new ATOM 0 HE22 GLN A 67 9.452 -8.443 -1.392 1.00 3.47 H new ATOM 1070 N HIS A 68 7.241 -4.373 -1.455 1.00 0.50 N ATOM 1071 CA HIS A 68 5.840 -4.450 -1.831 1.00 0.46 C ATOM 1072 C HIS A 68 5.151 -5.494 -0.965 1.00 0.46 C ATOM 1073 O HIS A 68 5.562 -6.653 -0.982 1.00 0.58 O ATOM 1074 CB HIS A 68 5.754 -4.867 -3.289 1.00 0.58 C ATOM 1075 CG HIS A 68 4.380 -5.306 -3.687 1.00 0.61 C ATOM 1076 ND1 HIS A 68 3.891 -6.585 -3.584 1.00 0.74 N ATOM 1077 CD2 HIS A 68 3.421 -4.526 -4.263 1.00 0.65 C ATOM 1078 CE1 HIS A 68 2.672 -6.587 -4.140 1.00 0.73 C ATOM 1079 NE2 HIS A 68 2.342 -5.356 -4.573 1.00 0.71 N ATOM 0 H HIS A 68 7.887 -4.472 -2.238 1.00 0.50 H new ATOM 0 HA HIS A 68 5.356 -3.484 -1.691 1.00 0.46 H new ATOM 0 HB2 HIS A 68 6.061 -4.032 -3.919 1.00 0.58 H new ATOM 0 HB3 HIS A 68 6.457 -5.680 -3.472 1.00 0.58 H new ATOM 0 HD1 HIS A 68 4.366 -7.383 -3.163 1.00 0.74 H new ATOM 0 HD2 HIS A 68 3.484 -3.463 -4.445 1.00 0.65 H new ATOM 0 HE1 HIS A 68 2.040 -7.458 -4.229 1.00 0.73 H new ATOM 1087 N ILE A 69 4.086 -5.104 -0.279 1.00 0.53 N ATOM 1088 CA ILE A 69 3.160 -6.039 0.322 1.00 0.59 C ATOM 1089 C ILE A 69 2.077 -6.332 -0.714 1.00 0.62 C ATOM 1090 O ILE A 69 1.981 -7.452 -1.212 1.00 0.82 O ATOM 1091 CB ILE A 69 2.598 -5.451 1.624 1.00 0.69 C ATOM 1092 CG1 ILE A 69 3.702 -5.054 2.619 1.00 0.71 C ATOM 1093 CG2 ILE A 69 1.639 -6.457 2.261 1.00 0.91 C ATOM 1094 CD1 ILE A 69 4.588 -6.225 3.045 1.00 0.76 C ATOM 0 H ILE A 69 3.844 -4.125 -0.126 1.00 0.53 H new ATOM 0 HA ILE A 69 3.646 -6.975 0.597 1.00 0.59 H new ATOM 0 HB ILE A 69 2.064 -4.535 1.372 1.00 0.69 H new ATOM 0 HG12 ILE A 69 4.326 -4.282 2.169 1.00 0.71 H new ATOM 0 HG13 ILE A 69 3.242 -4.616 3.505 1.00 0.71 H new ATOM 0 HG21 ILE A 69 1.238 -6.042 3.186 1.00 0.91 H new ATOM 0 HG22 ILE A 69 0.820 -6.666 1.572 1.00 0.91 H new ATOM 0 HG23 ILE A 69 2.174 -7.381 2.480 1.00 0.91 H new ATOM 0 HD11 ILE A 69 5.344 -5.873 3.747 1.00 0.76 H new ATOM 0 HD12 ILE A 69 3.976 -6.989 3.525 1.00 0.76 H new ATOM 0 HD13 ILE A 69 5.077 -6.649 2.168 1.00 0.76 H new ATOM 1106 N GLY A 70 1.293 -5.314 -1.073 1.00 0.60 N ATOM 1107 CA GLY A 70 0.141 -5.475 -1.950 1.00 0.66 C ATOM 1108 C GLY A 70 -1.033 -4.623 -1.487 1.00 0.61 C ATOM 1109 O GLY A 70 -0.832 -3.532 -0.953 1.00 1.00 O ATOM 0 H GLY A 70 1.443 -4.354 -0.761 1.00 0.60 H new ATOM 0 HA2 GLY A 70 0.415 -5.197 -2.968 1.00 0.66 H new ATOM 0 HA3 GLY A 70 -0.156 -6.524 -1.975 1.00 0.66 H new ATOM 1113 N GLY A 71 -2.253 -5.094 -1.740 1.00 0.54 N ATOM 1114 CA GLY A 71 -3.475 -4.343 -1.535 1.00 0.61 C ATOM 1115 C GLY A 71 -3.897 -4.315 -0.075 1.00 0.49 C ATOM 1116 O GLY A 71 -3.104 -4.570 0.826 1.00 0.51 O ATOM 0 H GLY A 71 -2.415 -6.034 -2.102 1.00 0.54 H new ATOM 0 HA2 GLY A 71 -3.335 -3.322 -1.890 1.00 0.61 H new ATOM 0 HA3 GLY A 71 -4.273 -4.782 -2.133 1.00 0.61 H new ATOM 1120 N TYR A 72 -5.167 -4.000 0.167 1.00 0.51 N ATOM 1121 CA TYR A 72 -5.717 -3.970 1.507 1.00 0.49 C ATOM 1122 C TYR A 72 -5.629 -5.364 2.113 1.00 0.48 C ATOM 1123 O TYR A 72 -5.221 -5.510 3.260 1.00 0.47 O ATOM 1124 CB TYR A 72 -7.185 -3.498 1.459 1.00 0.59 C ATOM 1125 CG TYR A 72 -7.952 -3.804 2.728 1.00 0.59 C ATOM 1126 CD1 TYR A 72 -7.663 -3.073 3.894 1.00 1.35 C ATOM 1127 CD2 TYR A 72 -8.656 -5.020 2.828 1.00 1.24 C ATOM 1128 CE1 TYR A 72 -7.972 -3.607 5.152 1.00 1.40 C ATOM 1129 CE2 TYR A 72 -8.880 -5.594 4.089 1.00 1.40 C ATOM 1130 CZ TYR A 72 -8.485 -4.908 5.245 1.00 1.01 C ATOM 1131 OH TYR A 72 -8.581 -5.488 6.467 1.00 1.54 O ATOM 0 H TYR A 72 -5.837 -3.760 -0.563 1.00 0.51 H new ATOM 0 HA TYR A 72 -5.149 -3.273 2.124 1.00 0.49 H new ATOM 0 HB2 TYR A 72 -7.209 -2.423 1.278 1.00 0.59 H new ATOM 0 HB3 TYR A 72 -7.686 -3.974 0.616 1.00 0.59 H new ATOM 0 HD1 TYR A 72 -7.202 -2.099 3.820 1.00 1.35 H new ATOM 0 HD2 TYR A 72 -9.022 -5.509 1.937 1.00 1.24 H new ATOM 0 HE1 TYR A 72 -7.816 -3.020 6.045 1.00 1.40 H new ATOM 0 HE2 TYR A 72 -9.355 -6.561 4.168 1.00 1.40 H new ATOM 0 HH TYR A 72 -8.955 -6.389 6.373 1.00 1.54 H new ATOM 1141 N THR A 73 -6.051 -6.380 1.372 1.00 0.58 N ATOM 1142 CA THR A 73 -6.086 -7.737 1.878 1.00 0.65 C ATOM 1143 C THR A 73 -4.671 -8.192 2.239 1.00 0.56 C ATOM 1144 O THR A 73 -4.438 -8.648 3.362 1.00 0.56 O ATOM 1145 CB THR A 73 -6.729 -8.634 0.818 1.00 0.92 C ATOM 1146 OG1 THR A 73 -6.113 -8.403 -0.438 1.00 2.11 O ATOM 1147 CG2 THR A 73 -8.231 -8.351 0.704 1.00 1.48 C ATOM 0 H THR A 73 -6.376 -6.283 0.410 1.00 0.58 H new ATOM 0 HA THR A 73 -6.683 -7.797 2.788 1.00 0.65 H new ATOM 0 HB THR A 73 -6.590 -9.673 1.116 1.00 0.92 H new ATOM 0 HG1 THR A 73 -6.525 -8.979 -1.115 1.00 2.11 H new ATOM 0 HG21 THR A 73 -8.667 -9.000 -0.055 1.00 1.48 H new ATOM 0 HG22 THR A 73 -8.711 -8.542 1.664 1.00 1.48 H new ATOM 0 HG23 THR A 73 -8.385 -7.309 0.422 1.00 1.48 H new ATOM 1155 N ASP A 74 -3.737 -8.024 1.298 1.00 0.56 N ATOM 1156 CA ASP A 74 -2.324 -8.341 1.468 1.00 0.55 C ATOM 1157 C ASP A 74 -1.805 -7.622 2.707 1.00 0.49 C ATOM 1158 O ASP A 74 -1.150 -8.200 3.566 1.00 0.57 O ATOM 1159 CB ASP A 74 -1.506 -7.850 0.262 1.00 0.63 C ATOM 1160 CG ASP A 74 -1.939 -8.423 -1.065 1.00 0.93 C ATOM 1161 OD1 ASP A 74 -1.429 -9.507 -1.420 1.00 1.96 O ATOM 1162 OD2 ASP A 74 -2.773 -7.782 -1.735 1.00 1.66 O ATOM 0 H ASP A 74 -3.954 -7.653 0.373 1.00 0.56 H new ATOM 0 HA ASP A 74 -2.221 -9.422 1.562 1.00 0.55 H new ATOM 0 HB2 ASP A 74 -1.572 -6.763 0.213 1.00 0.63 H new ATOM 0 HB3 ASP A 74 -0.457 -8.098 0.425 1.00 0.63 H new ATOM 1167 N PHE A 75 -2.088 -6.327 2.789 1.00 0.46 N ATOM 1168 CA PHE A 75 -1.560 -5.476 3.836 1.00 0.42 C ATOM 1169 C PHE A 75 -2.098 -5.959 5.178 1.00 0.45 C ATOM 1170 O PHE A 75 -1.357 -6.134 6.136 1.00 0.49 O ATOM 1171 CB PHE A 75 -1.999 -4.035 3.563 1.00 0.38 C ATOM 1172 CG PHE A 75 -1.606 -3.005 4.596 1.00 0.40 C ATOM 1173 CD1 PHE A 75 -0.394 -3.119 5.310 1.00 1.95 C ATOM 1174 CD2 PHE A 75 -2.310 -1.793 4.611 1.00 1.88 C ATOM 1175 CE1 PHE A 75 0.129 -2.007 5.989 1.00 1.99 C ATOM 1176 CE2 PHE A 75 -1.766 -0.675 5.249 1.00 1.86 C ATOM 1177 CZ PHE A 75 -0.532 -0.772 5.909 1.00 0.58 C ATOM 0 H PHE A 75 -2.693 -5.841 2.127 1.00 0.46 H new ATOM 0 HA PHE A 75 -0.471 -5.516 3.858 1.00 0.42 H new ATOM 0 HB2 PHE A 75 -1.587 -3.729 2.602 1.00 0.38 H new ATOM 0 HB3 PHE A 75 -3.084 -4.022 3.463 1.00 0.38 H new ATOM 0 HD1 PHE A 75 0.131 -4.062 5.334 1.00 1.95 H new ATOM 0 HD2 PHE A 75 -3.274 -1.723 4.129 1.00 1.88 H new ATOM 0 HE1 PHE A 75 1.035 -2.102 6.569 1.00 1.99 H new ATOM 0 HE2 PHE A 75 -2.297 0.266 5.234 1.00 1.86 H new ATOM 0 HZ PHE A 75 -0.090 0.106 6.357 1.00 0.58 H new ATOM 1187 N ALA A 76 -3.399 -6.204 5.249 1.00 0.50 N ATOM 1188 CA ALA A 76 -4.035 -6.730 6.435 1.00 0.57 C ATOM 1189 C ALA A 76 -3.426 -8.082 6.812 1.00 0.65 C ATOM 1190 O ALA A 76 -3.234 -8.353 7.998 1.00 0.77 O ATOM 1191 CB ALA A 76 -5.541 -6.794 6.202 1.00 0.64 C ATOM 0 H ALA A 76 -4.043 -6.040 4.475 1.00 0.50 H new ATOM 0 HA ALA A 76 -3.860 -6.072 7.287 1.00 0.57 H new ATOM 0 HB1 ALA A 76 -6.030 -7.190 7.092 1.00 0.64 H new ATOM 0 HB2 ALA A 76 -5.920 -5.793 5.994 1.00 0.64 H new ATOM 0 HB3 ALA A 76 -5.750 -7.445 5.353 1.00 0.64 H new ATOM 1197 N ALA A 77 -3.097 -8.926 5.832 1.00 0.63 N ATOM 1198 CA ALA A 77 -2.348 -10.143 6.105 1.00 0.66 C ATOM 1199 C ALA A 77 -1.023 -9.783 6.783 1.00 0.61 C ATOM 1200 O ALA A 77 -0.737 -10.276 7.871 1.00 0.71 O ATOM 1201 CB ALA A 77 -2.150 -10.982 4.839 1.00 0.68 C ATOM 0 H ALA A 77 -3.338 -8.786 4.851 1.00 0.63 H new ATOM 0 HA ALA A 77 -2.922 -10.769 6.788 1.00 0.66 H new ATOM 0 HB1 ALA A 77 -1.586 -11.882 5.084 1.00 0.68 H new ATOM 0 HB2 ALA A 77 -3.122 -11.261 4.432 1.00 0.68 H new ATOM 0 HB3 ALA A 77 -1.601 -10.400 4.099 1.00 0.68 H new ATOM 1207 N TRP A 78 -0.235 -8.889 6.184 1.00 0.52 N ATOM 1208 CA TRP A 78 1.048 -8.476 6.732 1.00 0.55 C ATOM 1209 C TRP A 78 0.878 -8.002 8.182 1.00 0.61 C ATOM 1210 O TRP A 78 1.657 -8.384 9.055 1.00 0.64 O ATOM 1211 CB TRP A 78 1.661 -7.376 5.857 1.00 0.54 C ATOM 1212 CG TRP A 78 2.950 -6.821 6.374 1.00 0.68 C ATOM 1213 CD1 TRP A 78 4.177 -7.322 6.114 1.00 0.81 C ATOM 1214 CD2 TRP A 78 3.156 -5.742 7.336 1.00 0.81 C ATOM 1215 NE1 TRP A 78 5.125 -6.626 6.832 1.00 0.99 N ATOM 1216 CE2 TRP A 78 4.547 -5.669 7.636 1.00 1.01 C ATOM 1217 CE3 TRP A 78 2.305 -4.840 8.008 1.00 0.85 C ATOM 1218 CZ2 TRP A 78 5.060 -4.777 8.585 1.00 1.23 C ATOM 1219 CZ3 TRP A 78 2.809 -3.940 8.966 1.00 1.09 C ATOM 1220 CH2 TRP A 78 4.180 -3.921 9.269 1.00 1.27 C ATOM 0 H TRP A 78 -0.473 -8.433 5.303 1.00 0.52 H new ATOM 0 HA TRP A 78 1.728 -9.328 6.735 1.00 0.55 H new ATOM 0 HB2 TRP A 78 1.827 -7.775 4.856 1.00 0.54 H new ATOM 0 HB3 TRP A 78 0.942 -6.562 5.761 1.00 0.54 H new ATOM 0 HD1 TRP A 78 4.384 -8.144 5.445 1.00 0.81 H new ATOM 0 HE1 TRP A 78 6.129 -6.798 6.775 1.00 0.99 H new ATOM 0 HE3 TRP A 78 1.249 -4.840 7.784 1.00 0.85 H new ATOM 0 HZ2 TRP A 78 6.120 -4.747 8.789 1.00 1.23 H new ATOM 0 HZ3 TRP A 78 2.138 -3.261 9.470 1.00 1.09 H new ATOM 0 HH2 TRP A 78 4.557 -3.250 10.026 1.00 1.27 H new ATOM 1231 N VAL A 79 -0.140 -7.179 8.447 1.00 0.71 N ATOM 1232 CA VAL A 79 -0.434 -6.656 9.775 1.00 0.83 C ATOM 1233 C VAL A 79 -0.547 -7.799 10.785 1.00 0.82 C ATOM 1234 O VAL A 79 0.126 -7.759 11.812 1.00 0.86 O ATOM 1235 CB VAL A 79 -1.679 -5.744 9.756 1.00 0.90 C ATOM 1236 CG1 VAL A 79 -2.190 -5.429 11.169 1.00 1.07 C ATOM 1237 CG2 VAL A 79 -1.370 -4.407 9.066 1.00 0.90 C ATOM 0 H VAL A 79 -0.790 -6.855 7.731 1.00 0.71 H new ATOM 0 HA VAL A 79 0.395 -6.026 10.097 1.00 0.83 H new ATOM 0 HB VAL A 79 -2.444 -6.294 9.208 1.00 0.90 H new ATOM 0 HG11 VAL A 79 -3.067 -4.785 11.104 1.00 1.07 H new ATOM 0 HG12 VAL A 79 -2.459 -6.357 11.674 1.00 1.07 H new ATOM 0 HG13 VAL A 79 -1.408 -4.922 11.734 1.00 1.07 H new ATOM 0 HG21 VAL A 79 -2.263 -3.783 9.066 1.00 0.90 H new ATOM 0 HG22 VAL A 79 -0.571 -3.896 9.603 1.00 0.90 H new ATOM 0 HG23 VAL A 79 -1.056 -4.592 8.039 1.00 0.90 H new ATOM 1247 N LYS A 80 -1.368 -8.820 10.530 1.00 0.83 N ATOM 1248 CA LYS A 80 -1.471 -9.927 11.483 1.00 0.87 C ATOM 1249 C LYS A 80 -0.174 -10.749 11.525 1.00 0.85 C ATOM 1250 O LYS A 80 0.195 -11.313 12.553 1.00 1.58 O ATOM 1251 CB LYS A 80 -2.711 -10.791 11.222 1.00 1.20 C ATOM 1252 CG LYS A 80 -2.745 -11.400 9.817 1.00 2.62 C ATOM 1253 CD LYS A 80 -3.749 -12.544 9.663 1.00 3.53 C ATOM 1254 CE LYS A 80 -5.203 -12.144 9.942 1.00 3.64 C ATOM 1255 NZ LYS A 80 -5.518 -12.103 11.382 1.00 4.02 N ATOM 0 H LYS A 80 -1.954 -8.904 9.699 1.00 0.83 H new ATOM 0 HA LYS A 80 -1.604 -9.498 12.476 1.00 0.87 H new ATOM 0 HB2 LYS A 80 -2.747 -11.594 11.959 1.00 1.20 H new ATOM 0 HB3 LYS A 80 -3.605 -10.184 11.368 1.00 1.20 H new ATOM 0 HG2 LYS A 80 -2.987 -10.617 9.098 1.00 2.62 H new ATOM 0 HG3 LYS A 80 -1.750 -11.767 9.566 1.00 2.62 H new ATOM 0 HD2 LYS A 80 -3.680 -12.939 8.649 1.00 3.53 H new ATOM 0 HD3 LYS A 80 -3.470 -13.352 10.340 1.00 3.53 H new ATOM 0 HE2 LYS A 80 -5.396 -11.164 9.504 1.00 3.64 H new ATOM 0 HE3 LYS A 80 -5.870 -12.851 9.449 1.00 3.64 H new ATOM 0 HZ1 LYS A 80 -6.454 -12.527 11.545 1.00 4.02 H new ATOM 0 HZ2 LYS A 80 -4.799 -12.638 11.910 1.00 4.02 H new ATOM 0 HZ3 LYS A 80 -5.524 -11.115 11.708 1.00 4.02 H new ATOM 1269 N GLU A 81 0.530 -10.821 10.397 1.00 0.87 N ATOM 1270 CA GLU A 81 1.802 -11.516 10.304 1.00 0.88 C ATOM 1271 C GLU A 81 2.871 -10.816 11.168 1.00 0.87 C ATOM 1272 O GLU A 81 3.850 -11.441 11.584 1.00 1.10 O ATOM 1273 CB GLU A 81 2.190 -11.606 8.818 1.00 1.08 C ATOM 1274 CG GLU A 81 3.084 -12.802 8.474 1.00 1.82 C ATOM 1275 CD GLU A 81 2.316 -13.982 7.919 1.00 2.06 C ATOM 1276 OE1 GLU A 81 1.616 -14.660 8.703 1.00 3.07 O ATOM 1277 OE2 GLU A 81 2.473 -14.241 6.704 1.00 2.75 O ATOM 0 H GLU A 81 0.228 -10.395 9.521 1.00 0.87 H new ATOM 0 HA GLU A 81 1.721 -12.528 10.700 1.00 0.88 H new ATOM 0 HB2 GLU A 81 1.281 -11.662 8.219 1.00 1.08 H new ATOM 0 HB3 GLU A 81 2.704 -10.688 8.532 1.00 1.08 H new ATOM 0 HG2 GLU A 81 3.833 -12.490 7.746 1.00 1.82 H new ATOM 0 HG3 GLU A 81 3.621 -13.115 9.369 1.00 1.82 H new ATOM 1284 N ASN A 82 2.716 -9.507 11.397 1.00 1.04 N ATOM 1285 CA ASN A 82 3.700 -8.667 12.072 1.00 1.35 C ATOM 1286 C ASN A 82 3.202 -8.242 13.441 1.00 1.62 C ATOM 1287 O ASN A 82 3.734 -8.655 14.468 1.00 2.11 O ATOM 1288 CB ASN A 82 4.035 -7.433 11.224 1.00 1.59 C ATOM 1289 CG ASN A 82 5.011 -7.810 10.124 1.00 1.55 C ATOM 1290 OD1 ASN A 82 6.187 -7.456 10.181 1.00 2.14 O ATOM 1291 ND2 ASN A 82 4.527 -8.551 9.138 1.00 1.34 N ATOM 0 H ASN A 82 1.882 -8.995 11.110 1.00 1.04 H new ATOM 0 HA ASN A 82 4.608 -9.256 12.203 1.00 1.35 H new ATOM 0 HB2 ASN A 82 3.124 -7.022 10.789 1.00 1.59 H new ATOM 0 HB3 ASN A 82 4.466 -6.655 11.854 1.00 1.59 H new ATOM 0 HD21 ASN A 82 5.139 -8.854 8.380 1.00 1.34 H new ATOM 0 HD22 ASN A 82 3.543 -8.819 9.137 1.00 1.34 H new ATOM 1298 N LEU A 83 2.207 -7.364 13.454 1.00 1.43 N ATOM 1299 CA LEU A 83 1.761 -6.680 14.649 1.00 1.64 C ATOM 1300 C LEU A 83 0.787 -7.573 15.403 1.00 1.73 C ATOM 1301 O LEU A 83 1.007 -7.830 16.588 1.00 2.02 O ATOM 1302 CB LEU A 83 1.090 -5.347 14.284 1.00 1.63 C ATOM 1303 CG LEU A 83 1.934 -4.455 13.359 1.00 1.37 C ATOM 1304 CD1 LEU A 83 1.185 -3.142 13.128 1.00 1.68 C ATOM 1305 CD2 LEU A 83 3.318 -4.154 13.946 1.00 1.69 C ATOM 0 H LEU A 83 1.682 -7.107 12.618 1.00 1.43 H new ATOM 0 HA LEU A 83 2.621 -6.465 15.284 1.00 1.64 H new ATOM 0 HB2 LEU A 83 0.135 -5.553 13.801 1.00 1.63 H new ATOM 0 HB3 LEU A 83 0.872 -4.799 15.201 1.00 1.63 H new ATOM 0 HG LEU A 83 2.087 -4.989 12.421 1.00 1.37 H new ATOM 0 HD11 LEU A 83 1.772 -2.498 12.473 1.00 1.68 H new ATOM 0 HD12 LEU A 83 0.221 -3.350 12.663 1.00 1.68 H new ATOM 0 HD13 LEU A 83 1.027 -2.640 14.083 1.00 1.68 H new ATOM 0 HD21 LEU A 83 3.876 -3.521 13.256 1.00 1.69 H new ATOM 0 HD22 LEU A 83 3.204 -3.639 14.900 1.00 1.69 H new ATOM 0 HD23 LEU A 83 3.859 -5.088 14.100 1.00 1.69 H new