USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 405 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 48 HIS : no HD1:sc= -1.81 K(o=-2.3,f=-3.4!) USER MOD Set 1.2: A 52 SER OG : rot -130:sc= -0.491 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -1.03 K(o=-1,f=-1.7) USER MOD Single : A 11 LYS NZ :NH3+ -168:sc= 0.00364 (180deg=-0.443) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -3.61 K(o=-3.6,f=-8!) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0292 USER MOD Single : A 31 GLN : amide:sc= -0.0816 X(o=-0.082,f=0) USER MOD Single : A 34 SER OG : rot 92:sc= 1.27 USER MOD Single : A 36 GLN : amide:sc= -0.205 K(o=-0.2,f=-1.8!) USER MOD Single : A 43 CYS SG : rot 180:sc= -0.0063 USER MOD Single : A 45 LYS NZ :NH3+ 161:sc= 0.0657 (180deg=-0.104) USER MOD Single : A 50 LYS NZ :NH3+ -154:sc= 0.593 (180deg=0.248) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N VAL A 3 2.347 2.898 -6.114 1.00 1.53 N ATOM 43 CA VAL A 3 2.946 3.422 -7.336 1.00 32.41 C ATOM 44 C VAL A 3 2.221 4.676 -7.810 1.00 14.12 C ATOM 45 O VAL A 3 2.788 5.768 -7.819 1.00 71.30 O ATOM 46 CB VAL A 3 2.926 2.373 -8.464 1.00 53.20 C ATOM 47 CG1 VAL A 3 3.642 2.902 -9.698 1.00 15.14 C ATOM 48 CG2 VAL A 3 3.553 1.070 -7.991 1.00 52.43 C ATOM 0 HA VAL A 3 3.980 3.672 -7.100 1.00 32.41 H new ATOM 0 HB VAL A 3 1.889 2.174 -8.733 1.00 53.20 H new ATOM 0 HG11 VAL A 3 3.618 2.147 -10.484 1.00 15.14 H new ATOM 0 HG12 VAL A 3 3.144 3.806 -10.048 1.00 15.14 H new ATOM 0 HG13 VAL A 3 4.678 3.132 -9.447 1.00 15.14 H new ATOM 0 HG21 VAL A 3 3.530 0.340 -8.801 1.00 52.43 H new ATOM 0 HG22 VAL A 3 4.586 1.250 -7.694 1.00 52.43 H new ATOM 0 HG23 VAL A 3 2.992 0.685 -7.139 1.00 52.43 H new ATOM 58 N GLY A 4 0.961 4.512 -8.203 1.00 0.21 N ATOM 59 CA GLY A 4 0.178 5.640 -8.673 1.00 12.03 C ATOM 60 C GLY A 4 -1.149 5.216 -9.271 1.00 21.34 C ATOM 61 O GLY A 4 -1.628 5.821 -10.230 1.00 1.23 O ATOM 0 H GLY A 4 0.469 3.618 -8.204 1.00 0.21 H new ATOM 0 HA2 GLY A 4 -0.003 6.324 -7.843 1.00 12.03 H new ATOM 0 HA3 GLY A 4 0.751 6.190 -9.420 1.00 12.03 H new ATOM 65 N PHE A 5 -1.744 4.171 -8.705 1.00 30.03 N ATOM 66 CA PHE A 5 -3.023 3.664 -9.190 1.00 5.14 C ATOM 67 C PHE A 5 -4.099 4.744 -9.116 1.00 64.54 C ATOM 68 O PHE A 5 -5.129 4.655 -9.784 1.00 50.13 O ATOM 69 CB PHE A 5 -3.453 2.443 -8.375 1.00 32.31 C ATOM 70 CG PHE A 5 -3.640 2.733 -6.913 1.00 74.22 C ATOM 71 CD1 PHE A 5 -4.838 3.246 -6.443 1.00 53.21 C ATOM 72 CD2 PHE A 5 -2.618 2.492 -6.009 1.00 51.52 C ATOM 73 CE1 PHE A 5 -5.014 3.514 -5.098 1.00 51.05 C ATOM 74 CE2 PHE A 5 -2.788 2.758 -4.664 1.00 32.24 C ATOM 75 CZ PHE A 5 -3.987 3.270 -4.208 1.00 12.42 C ATOM 0 H PHE A 5 -1.361 3.659 -7.910 1.00 30.03 H new ATOM 0 HA PHE A 5 -2.898 3.371 -10.232 1.00 5.14 H new ATOM 0 HB2 PHE A 5 -4.386 2.055 -8.782 1.00 32.31 H new ATOM 0 HB3 PHE A 5 -2.705 1.659 -8.489 1.00 32.31 H new ATOM 0 HD1 PHE A 5 -5.644 3.439 -7.135 1.00 53.21 H new ATOM 0 HD2 PHE A 5 -1.678 2.092 -6.360 1.00 51.52 H new ATOM 0 HE1 PHE A 5 -5.953 3.913 -4.744 1.00 51.05 H new ATOM 0 HE2 PHE A 5 -1.984 2.566 -3.969 1.00 32.24 H new ATOM 0 HZ PHE A 5 -4.121 3.479 -3.157 1.00 12.42 H new ATOM 85 N PHE A 6 -3.852 5.762 -8.299 1.00 44.25 N ATOM 86 CA PHE A 6 -4.799 6.859 -8.137 1.00 32.43 C ATOM 87 C PHE A 6 -5.036 7.574 -9.463 1.00 52.14 C ATOM 88 O PHE A 6 -6.139 8.047 -9.739 1.00 1.42 O ATOM 89 CB PHE A 6 -4.287 7.853 -7.093 1.00 23.24 C ATOM 90 CG PHE A 6 -5.192 7.991 -5.902 1.00 3.41 C ATOM 91 CD1 PHE A 6 -5.265 6.987 -4.950 1.00 60.12 C ATOM 92 CD2 PHE A 6 -5.969 9.126 -5.734 1.00 3.21 C ATOM 93 CE1 PHE A 6 -6.098 7.112 -3.854 1.00 65.32 C ATOM 94 CE2 PHE A 6 -6.803 9.257 -4.639 1.00 62.25 C ATOM 95 CZ PHE A 6 -6.866 8.248 -3.698 1.00 14.51 C ATOM 0 H PHE A 6 -3.004 5.850 -7.739 1.00 44.25 H new ATOM 0 HA PHE A 6 -5.746 6.440 -7.796 1.00 32.43 H new ATOM 0 HB2 PHE A 6 -3.300 7.536 -6.755 1.00 23.24 H new ATOM 0 HB3 PHE A 6 -4.165 8.829 -7.562 1.00 23.24 H new ATOM 0 HD1 PHE A 6 -4.664 6.097 -5.066 1.00 60.12 H new ATOM 0 HD2 PHE A 6 -5.923 9.918 -6.467 1.00 3.21 H new ATOM 0 HE1 PHE A 6 -6.148 6.321 -3.120 1.00 65.32 H new ATOM 0 HE2 PHE A 6 -7.404 10.146 -4.520 1.00 62.25 H new ATOM 0 HZ PHE A 6 -7.516 8.348 -2.841 1.00 14.51 H new ATOM 105 N LYS A 7 -3.993 7.650 -10.282 1.00 63.25 N ATOM 106 CA LYS A 7 -4.085 8.306 -11.581 1.00 42.41 C ATOM 107 C LYS A 7 -5.152 7.647 -12.449 1.00 42.44 C ATOM 108 O LYS A 7 -5.614 8.230 -13.431 1.00 2.14 O ATOM 109 CB LYS A 7 -2.732 8.262 -12.295 1.00 70.22 C ATOM 110 CG LYS A 7 -2.651 9.179 -13.503 1.00 75.13 C ATOM 111 CD LYS A 7 -1.259 9.765 -13.667 1.00 20.41 C ATOM 112 CE LYS A 7 -0.925 10.732 -12.541 1.00 73.34 C ATOM 113 NZ LYS A 7 -0.085 11.866 -13.016 1.00 15.33 N ATOM 0 H LYS A 7 -3.073 7.265 -10.069 1.00 63.25 H new ATOM 0 HA LYS A 7 -4.368 9.346 -11.416 1.00 42.41 H new ATOM 0 HB2 LYS A 7 -1.949 8.536 -11.588 1.00 70.22 H new ATOM 0 HB3 LYS A 7 -2.531 7.239 -12.612 1.00 70.22 H new ATOM 0 HG2 LYS A 7 -2.921 8.623 -14.401 1.00 75.13 H new ATOM 0 HG3 LYS A 7 -3.376 9.986 -13.397 1.00 75.13 H new ATOM 0 HD2 LYS A 7 -0.524 8.960 -13.687 1.00 20.41 H new ATOM 0 HD3 LYS A 7 -1.191 10.282 -14.624 1.00 20.41 H new ATOM 0 HE2 LYS A 7 -1.848 11.119 -12.109 1.00 73.34 H new ATOM 0 HE3 LYS A 7 -0.401 10.199 -11.748 1.00 73.34 H new ATOM 0 HZ1 LYS A 7 0.121 12.503 -12.220 1.00 15.33 H new ATOM 0 HZ2 LYS A 7 0.807 11.498 -13.405 1.00 15.33 H new ATOM 0 HZ3 LYS A 7 -0.595 12.390 -13.755 1.00 15.33 H new ATOM 127 N ARG A 8 -5.540 6.431 -12.081 1.00 63.21 N ATOM 128 CA ARG A 8 -6.553 5.693 -12.827 1.00 3.54 C ATOM 129 C ARG A 8 -7.812 6.535 -13.011 1.00 11.01 C ATOM 130 O ARG A 8 -8.403 6.558 -14.090 1.00 23.03 O ATOM 131 CB ARG A 8 -6.899 4.389 -12.106 1.00 3.44 C ATOM 132 CG ARG A 8 -7.839 3.490 -12.891 1.00 61.03 C ATOM 133 CD ARG A 8 -8.728 2.671 -11.968 1.00 44.21 C ATOM 134 NE ARG A 8 -9.980 3.358 -11.663 1.00 71.34 N ATOM 135 CZ ARG A 8 -10.895 2.881 -10.826 1.00 45.00 C ATOM 136 NH1 ARG A 8 -10.697 1.722 -10.213 1.00 1.20 N ATOM 137 NH2 ARG A 8 -12.009 3.564 -10.600 1.00 53.31 N ATOM 0 H ARG A 8 -5.169 5.935 -11.271 1.00 63.21 H new ATOM 0 HA ARG A 8 -6.146 5.459 -13.811 1.00 3.54 H new ATOM 0 HB2 ARG A 8 -5.978 3.844 -11.897 1.00 3.44 H new ATOM 0 HB3 ARG A 8 -7.355 4.625 -11.144 1.00 3.44 H new ATOM 0 HG2 ARG A 8 -8.459 4.097 -13.550 1.00 61.03 H new ATOM 0 HG3 ARG A 8 -7.258 2.821 -13.526 1.00 61.03 H new ATOM 0 HD2 ARG A 8 -8.946 1.710 -12.433 1.00 44.21 H new ATOM 0 HD3 ARG A 8 -8.194 2.462 -11.041 1.00 44.21 H new ATOM 0 HE ARG A 8 -10.162 4.253 -12.117 1.00 71.34 H new ATOM 0 HH11 ARG A 8 -9.841 1.195 -10.384 1.00 1.20 H new ATOM 0 HH12 ARG A 8 -11.401 1.358 -9.571 1.00 1.20 H new ATOM 0 HH21 ARG A 8 -12.164 4.456 -11.069 1.00 53.31 H new ATOM 0 HH22 ARG A 8 -12.711 3.197 -9.957 1.00 53.31 H new ATOM 151 N ASN A 9 -8.217 7.225 -11.949 1.00 73.34 N ATOM 152 CA ASN A 9 -9.407 8.067 -11.994 1.00 32.23 C ATOM 153 C ASN A 9 -9.106 9.398 -12.675 1.00 12.31 C ATOM 154 O ASN A 9 -9.880 9.871 -13.509 1.00 33.25 O ATOM 155 CB ASN A 9 -9.936 8.313 -10.579 1.00 72.23 C ATOM 156 CG ASN A 9 -10.850 9.521 -10.506 1.00 35.51 C ATOM 157 OD1 ASN A 9 -12.070 9.398 -10.626 1.00 4.23 O ATOM 158 ND2 ASN A 9 -10.264 10.695 -10.308 1.00 42.44 N ATOM 0 H ASN A 9 -7.739 7.217 -11.048 1.00 73.34 H new ATOM 0 HA ASN A 9 -10.169 7.547 -12.575 1.00 32.23 H new ATOM 0 HB2 ASN A 9 -10.477 7.430 -10.238 1.00 72.23 H new ATOM 0 HB3 ASN A 9 -9.096 8.455 -9.899 1.00 72.23 H new ATOM 0 HD21 ASN A 9 -10.828 11.543 -10.250 1.00 42.44 H new ATOM 0 HD22 ASN A 9 -9.250 10.749 -10.214 1.00 42.44 H new ATOM 165 N LEU A 10 -7.977 9.999 -12.315 1.00 71.53 N ATOM 166 CA LEU A 10 -7.572 11.276 -12.892 1.00 33.10 C ATOM 167 C LEU A 10 -7.446 11.173 -14.409 1.00 2.04 C ATOM 168 O LEU A 10 -7.654 12.150 -15.128 1.00 11.32 O ATOM 169 CB LEU A 10 -6.243 11.732 -12.288 1.00 12.43 C ATOM 170 CG LEU A 10 -6.100 13.234 -12.037 1.00 53.14 C ATOM 171 CD1 LEU A 10 -6.500 14.022 -13.275 1.00 42.02 C ATOM 172 CD2 LEU A 10 -6.939 13.657 -10.840 1.00 3.30 C ATOM 0 H LEU A 10 -7.326 9.622 -11.626 1.00 71.53 H new ATOM 0 HA LEU A 10 -8.341 12.012 -12.659 1.00 33.10 H new ATOM 0 HB2 LEU A 10 -6.099 11.210 -11.342 1.00 12.43 H new ATOM 0 HB3 LEU A 10 -5.438 11.417 -12.952 1.00 12.43 H new ATOM 0 HG LEU A 10 -5.054 13.448 -11.817 1.00 53.14 H new ATOM 0 HD11 LEU A 10 -6.392 15.089 -13.078 1.00 42.02 H new ATOM 0 HD12 LEU A 10 -5.857 13.740 -14.109 1.00 42.02 H new ATOM 0 HD13 LEU A 10 -7.538 13.803 -13.526 1.00 42.02 H new ATOM 0 HD21 LEU A 10 -6.825 14.729 -10.676 1.00 3.30 H new ATOM 0 HD22 LEU A 10 -7.987 13.429 -11.032 1.00 3.30 H new ATOM 0 HD23 LEU A 10 -6.606 13.117 -9.953 1.00 3.30 H new ATOM 184 N LYS A 11 -7.105 9.982 -14.889 1.00 40.11 N ATOM 185 CA LYS A 11 -6.954 9.749 -16.320 1.00 61.35 C ATOM 186 C LYS A 11 -8.245 9.202 -16.922 1.00 24.43 C ATOM 187 O LYS A 11 -8.489 9.341 -18.120 1.00 13.25 O ATOM 188 CB LYS A 11 -5.804 8.773 -16.580 1.00 70.05 C ATOM 189 CG LYS A 11 -4.728 9.331 -17.496 1.00 1.14 C ATOM 190 CD LYS A 11 -4.384 10.768 -17.141 1.00 12.14 C ATOM 191 CE LYS A 11 -4.238 10.951 -15.638 1.00 13.33 C ATOM 192 NZ LYS A 11 -3.051 11.781 -15.293 1.00 23.12 N ATOM 0 H LYS A 11 -6.928 9.163 -14.308 1.00 40.11 H new ATOM 0 HA LYS A 11 -6.728 10.703 -16.796 1.00 61.35 H new ATOM 0 HB2 LYS A 11 -5.351 8.496 -15.628 1.00 70.05 H new ATOM 0 HB3 LYS A 11 -6.206 7.860 -17.019 1.00 70.05 H new ATOM 0 HG2 LYS A 11 -3.833 8.713 -17.425 1.00 1.14 H new ATOM 0 HG3 LYS A 11 -5.068 9.282 -18.530 1.00 1.14 H new ATOM 0 HD2 LYS A 11 -3.456 11.054 -17.635 1.00 12.14 H new ATOM 0 HD3 LYS A 11 -5.162 11.433 -17.516 1.00 12.14 H new ATOM 0 HE2 LYS A 11 -5.138 11.421 -15.240 1.00 13.33 H new ATOM 0 HE3 LYS A 11 -4.150 9.975 -15.160 1.00 13.33 H new ATOM 0 HZ1 LYS A 11 -2.867 11.716 -14.271 1.00 23.12 H new ATOM 0 HZ2 LYS A 11 -2.222 11.435 -15.817 1.00 23.12 H new ATOM 0 HZ3 LYS A 11 -3.234 12.772 -15.549 1.00 23.12 H new ATOM 206 N GLU A 12 -9.067 8.580 -16.082 1.00 3.32 N ATOM 207 CA GLU A 12 -10.333 8.013 -16.532 1.00 45.51 C ATOM 208 C GLU A 12 -11.108 9.018 -17.380 1.00 3.23 C ATOM 209 O GLU A 12 -11.895 8.640 -18.247 1.00 72.41 O ATOM 210 CB GLU A 12 -11.179 7.581 -15.333 1.00 4.33 C ATOM 211 CG GLU A 12 -12.162 8.642 -14.868 1.00 1.25 C ATOM 212 CD GLU A 12 -12.662 8.396 -13.457 1.00 72.24 C ATOM 213 OE1 GLU A 12 -12.407 7.297 -12.922 1.00 34.41 O ATOM 214 OE2 GLU A 12 -13.308 9.301 -12.890 1.00 12.02 O ATOM 0 H GLU A 12 -8.879 8.456 -15.087 1.00 3.32 H new ATOM 0 HA GLU A 12 -10.113 7.139 -17.145 1.00 45.51 H new ATOM 0 HB2 GLU A 12 -11.729 6.677 -15.594 1.00 4.33 H new ATOM 0 HB3 GLU A 12 -10.517 7.323 -14.506 1.00 4.33 H new ATOM 0 HG2 GLU A 12 -11.684 9.620 -14.915 1.00 1.25 H new ATOM 0 HG3 GLU A 12 -13.011 8.669 -15.551 1.00 1.25 H new ATOM 221 N LYS A 13 -10.879 10.301 -17.122 1.00 14.42 N ATOM 222 CA LYS A 13 -11.554 11.363 -17.860 1.00 33.52 C ATOM 223 C LYS A 13 -10.890 11.591 -19.214 1.00 33.40 C ATOM 224 O LYS A 13 -11.564 11.864 -20.208 1.00 33.42 O ATOM 225 CB LYS A 13 -11.545 12.661 -17.050 1.00 25.01 C ATOM 226 CG LYS A 13 -10.150 13.200 -16.782 1.00 51.53 C ATOM 227 CD LYS A 13 -10.039 13.792 -15.387 1.00 33.20 C ATOM 228 CE LYS A 13 -10.966 14.985 -15.212 1.00 72.01 C ATOM 229 NZ LYS A 13 -10.353 16.044 -14.363 1.00 34.54 N ATOM 0 H LYS A 13 -10.231 10.631 -16.407 1.00 14.42 H new ATOM 0 HA LYS A 13 -12.586 11.055 -18.028 1.00 33.52 H new ATOM 0 HB2 LYS A 13 -12.121 13.417 -17.584 1.00 25.01 H new ATOM 0 HB3 LYS A 13 -12.048 12.489 -16.099 1.00 25.01 H new ATOM 0 HG2 LYS A 13 -9.421 12.398 -16.897 1.00 51.53 H new ATOM 0 HG3 LYS A 13 -9.905 13.962 -17.522 1.00 51.53 H new ATOM 0 HD2 LYS A 13 -10.282 13.030 -14.647 1.00 33.20 H new ATOM 0 HD3 LYS A 13 -9.010 14.099 -15.202 1.00 33.20 H new ATOM 0 HE2 LYS A 13 -11.212 15.400 -16.189 1.00 72.01 H new ATOM 0 HE3 LYS A 13 -11.902 14.655 -14.761 1.00 72.01 H new ATOM 0 HZ1 LYS A 13 -11.016 16.840 -14.268 1.00 34.54 H new ATOM 0 HZ2 LYS A 13 -10.141 15.655 -13.422 1.00 34.54 H new ATOM 0 HZ3 LYS A 13 -9.473 16.378 -14.806 1.00 34.54 H new ATOM 243 N ILE A 14 -9.567 11.476 -19.246 1.00 30.42 N ATOM 244 CA ILE A 14 -8.814 11.667 -20.479 1.00 24.11 C ATOM 245 C ILE A 14 -9.272 10.693 -21.560 1.00 4.44 C ATOM 246 O ILE A 14 -9.497 11.084 -22.705 1.00 22.35 O ATOM 247 CB ILE A 14 -7.302 11.486 -20.248 1.00 45.34 C ATOM 248 CG1 ILE A 14 -6.729 12.695 -19.505 1.00 21.32 C ATOM 249 CG2 ILE A 14 -6.584 11.285 -21.575 1.00 20.02 C ATOM 250 CD1 ILE A 14 -7.265 12.849 -18.099 1.00 32.32 C ATOM 0 H ILE A 14 -8.994 11.252 -18.432 1.00 30.42 H new ATOM 0 HA ILE A 14 -9.004 12.688 -20.810 1.00 24.11 H new ATOM 0 HB ILE A 14 -7.147 10.599 -19.634 1.00 45.34 H new ATOM 0 HG12 ILE A 14 -5.644 12.605 -19.464 1.00 21.32 H new ATOM 0 HG13 ILE A 14 -6.953 13.599 -20.072 1.00 21.32 H new ATOM 0 HG21 ILE A 14 -5.516 11.159 -21.396 1.00 20.02 H new ATOM 0 HG22 ILE A 14 -6.976 10.397 -22.070 1.00 20.02 H new ATOM 0 HG23 ILE A 14 -6.744 12.156 -22.211 1.00 20.02 H new ATOM 0 HD11 ILE A 14 -6.816 13.726 -17.632 1.00 32.32 H new ATOM 0 HD12 ILE A 14 -8.348 12.971 -18.134 1.00 32.32 H new ATOM 0 HD13 ILE A 14 -7.018 11.961 -17.516 1.00 32.32 H new ATOM 262 N GLU A 15 -9.409 9.425 -21.186 1.00 63.12 N ATOM 263 CA GLU A 15 -9.841 8.396 -22.124 1.00 73.23 C ATOM 264 C GLU A 15 -11.116 8.820 -22.847 1.00 74.14 C ATOM 265 O GLU A 15 -11.458 8.276 -23.897 1.00 64.30 O ATOM 266 CB GLU A 15 -10.073 7.072 -21.393 1.00 11.15 C ATOM 267 CG GLU A 15 -11.421 6.990 -20.695 1.00 63.15 C ATOM 268 CD GLU A 15 -11.374 6.153 -19.432 1.00 3.54 C ATOM 269 OE1 GLU A 15 -10.326 5.524 -19.176 1.00 45.20 O ATOM 270 OE2 GLU A 15 -12.384 6.128 -18.698 1.00 71.25 O ATOM 0 H GLU A 15 -9.227 9.086 -20.241 1.00 63.12 H new ATOM 0 HA GLU A 15 -9.052 8.261 -22.863 1.00 73.23 H new ATOM 0 HB2 GLU A 15 -9.993 6.253 -22.108 1.00 11.15 H new ATOM 0 HB3 GLU A 15 -9.282 6.930 -20.656 1.00 11.15 H new ATOM 0 HG2 GLU A 15 -11.759 7.996 -20.447 1.00 63.15 H new ATOM 0 HG3 GLU A 15 -12.155 6.566 -21.380 1.00 63.15 H new ATOM 277 N ALA A 16 -11.817 9.795 -22.277 1.00 24.11 N ATOM 278 CA ALA A 16 -13.053 10.293 -22.867 1.00 2.43 C ATOM 279 C ALA A 16 -12.898 11.739 -23.326 1.00 42.14 C ATOM 280 O ALA A 16 -13.555 12.175 -24.271 1.00 34.55 O ATOM 281 CB ALA A 16 -14.198 10.174 -21.872 1.00 60.21 C ATOM 0 H ALA A 16 -11.550 10.255 -21.407 1.00 24.11 H new ATOM 0 HA ALA A 16 -13.281 9.683 -23.741 1.00 2.43 H new ATOM 0 HB1 ALA A 16 -15.115 10.550 -22.326 1.00 60.21 H new ATOM 0 HB2 ALA A 16 -14.332 9.128 -21.595 1.00 60.21 H new ATOM 0 HB3 ALA A 16 -13.968 10.759 -20.981 1.00 60.21 H new ATOM 287 N GLY A 17 -12.024 12.480 -22.651 1.00 64.43 N ATOM 288 CA GLY A 17 -11.799 13.869 -23.005 1.00 40.01 C ATOM 289 C GLY A 17 -10.422 14.356 -22.598 1.00 72.44 C ATOM 290 O GLY A 17 -9.426 13.663 -22.805 1.00 64.12 O ATOM 0 H GLY A 17 -11.468 12.143 -21.865 1.00 64.43 H new ATOM 0 HA2 GLY A 17 -11.920 13.991 -24.081 1.00 40.01 H new ATOM 0 HA3 GLY A 17 -12.557 14.490 -22.527 1.00 40.01 H new ATOM 294 N ARG A 18 -10.366 15.551 -22.020 1.00 23.31 N ATOM 295 CA ARG A 18 -9.100 16.130 -21.586 1.00 53.41 C ATOM 296 C ARG A 18 -7.964 15.714 -22.516 1.00 32.54 C ATOM 297 O ARG A 18 -8.047 15.888 -23.731 1.00 2.25 O ATOM 298 CB ARG A 18 -8.784 15.702 -20.152 1.00 65.11 C ATOM 299 CG ARG A 18 -9.888 16.030 -19.160 1.00 43.04 C ATOM 300 CD ARG A 18 -10.276 17.499 -19.225 1.00 23.14 C ATOM 301 NE ARG A 18 -10.673 18.018 -17.919 1.00 32.34 N ATOM 302 CZ ARG A 18 -11.233 19.209 -17.740 1.00 44.23 C ATOM 303 NH1 ARG A 18 -11.460 20.001 -18.779 1.00 63.24 N ATOM 304 NH2 ARG A 18 -11.567 19.611 -16.521 1.00 24.15 N ATOM 0 H ARG A 18 -11.182 16.137 -21.841 1.00 23.31 H new ATOM 0 HA ARG A 18 -9.195 17.215 -21.621 1.00 53.41 H new ATOM 0 HB2 ARG A 18 -8.600 14.628 -20.135 1.00 65.11 H new ATOM 0 HB3 ARG A 18 -7.863 16.189 -19.831 1.00 65.11 H new ATOM 0 HG2 ARG A 18 -10.761 15.412 -19.368 1.00 43.04 H new ATOM 0 HG3 ARG A 18 -9.557 15.784 -18.151 1.00 43.04 H new ATOM 0 HD2 ARG A 18 -9.436 18.079 -19.606 1.00 23.14 H new ATOM 0 HD3 ARG A 18 -11.097 17.626 -19.931 1.00 23.14 H new ATOM 0 HE ARG A 18 -10.511 17.434 -17.099 1.00 32.34 H new ATOM 0 HH11 ARG A 18 -11.204 19.696 -19.718 1.00 63.24 H new ATOM 0 HH12 ARG A 18 -11.890 20.915 -18.639 1.00 63.24 H new ATOM 0 HH21 ARG A 18 -11.394 19.005 -15.719 1.00 24.15 H new ATOM 0 HH22 ARG A 18 -11.997 20.526 -16.386 1.00 24.15 H new ATOM 318 N GLY A 19 -6.903 15.162 -21.935 1.00 31.34 N ATOM 319 CA GLY A 19 -5.766 14.729 -22.725 1.00 45.32 C ATOM 320 C GLY A 19 -4.595 15.688 -22.629 1.00 60.42 C ATOM 321 O GLY A 19 -4.662 16.813 -23.123 1.00 55.21 O ATOM 0 H GLY A 19 -6.811 15.007 -20.931 1.00 31.34 H new ATOM 0 HA2 GLY A 19 -5.451 13.741 -22.391 1.00 45.32 H new ATOM 0 HA3 GLY A 19 -6.068 14.632 -23.768 1.00 45.32 H new ATOM 325 N VAL A 20 -3.518 15.242 -21.990 1.00 31.21 N ATOM 326 CA VAL A 20 -2.327 16.068 -21.830 1.00 34.11 C ATOM 327 C VAL A 20 -1.764 16.488 -23.183 1.00 22.52 C ATOM 328 O VAL A 20 -1.739 17.667 -23.534 1.00 5.32 O ATOM 329 CB VAL A 20 -1.233 15.328 -21.037 1.00 53.04 C ATOM 330 CG1 VAL A 20 0.144 15.861 -21.403 1.00 33.02 C ATOM 331 CG2 VAL A 20 -1.483 15.453 -19.542 1.00 22.30 C ATOM 0 H VAL A 20 -3.446 14.313 -21.575 1.00 31.21 H new ATOM 0 HA VAL A 20 -2.629 16.956 -21.275 1.00 34.11 H new ATOM 0 HB VAL A 20 -1.269 14.271 -21.301 1.00 53.04 H new ATOM 0 HG11 VAL A 20 0.904 15.327 -20.833 1.00 33.02 H new ATOM 0 HG12 VAL A 20 0.319 15.714 -22.469 1.00 33.02 H new ATOM 0 HG13 VAL A 20 0.196 16.924 -21.170 1.00 33.02 H new ATOM 0 HG21 VAL A 20 -0.701 14.925 -18.997 1.00 22.30 H new ATOM 0 HG22 VAL A 20 -1.475 16.505 -19.259 1.00 22.30 H new ATOM 0 HG23 VAL A 20 -2.452 15.019 -19.298 1.00 22.30 H new ATOM 341 N PRO A 21 -1.300 15.500 -23.963 1.00 34.31 N ATOM 342 CA PRO A 21 -0.729 15.742 -25.291 1.00 71.41 C ATOM 343 C PRO A 21 -1.782 16.180 -26.304 1.00 4.03 C ATOM 344 O PRO A 21 -1.629 17.204 -26.968 1.00 4.23 O ATOM 345 CB PRO A 21 -0.147 14.380 -25.680 1.00 51.31 C ATOM 346 CG PRO A 21 -0.945 13.391 -24.902 1.00 44.14 C ATOM 347 CD PRO A 21 -1.299 14.070 -23.609 1.00 0.44 C ATOM 0 HA PRO A 21 0.005 16.547 -25.278 1.00 71.41 H new ATOM 0 HB2 PRO A 21 -0.234 14.204 -26.752 1.00 51.31 H new ATOM 0 HB3 PRO A 21 0.913 14.317 -25.432 1.00 51.31 H new ATOM 0 HG2 PRO A 21 -1.842 13.098 -25.447 1.00 44.14 H new ATOM 0 HG3 PRO A 21 -0.371 12.482 -24.721 1.00 44.14 H new ATOM 0 HD2 PRO A 21 -2.272 13.747 -23.239 1.00 0.44 H new ATOM 0 HD3 PRO A 21 -0.572 13.850 -22.827 1.00 0.44 H new ATOM 355 N ASN A 22 -2.850 15.398 -26.416 1.00 32.21 N ATOM 356 CA ASN A 22 -3.928 15.706 -27.348 1.00 55.03 C ATOM 357 C ASN A 22 -3.394 16.436 -28.577 1.00 5.05 C ATOM 358 O ASN A 22 -3.407 17.665 -28.636 1.00 64.31 O ATOM 359 CB ASN A 22 -4.998 16.558 -26.661 1.00 24.55 C ATOM 360 CG ASN A 22 -4.447 17.876 -26.151 1.00 34.41 C ATOM 361 OD1 ASN A 22 -3.640 17.906 -25.222 1.00 44.44 O ATOM 362 ND2 ASN A 22 -4.884 18.973 -26.758 1.00 11.11 N ATOM 0 H ASN A 22 -2.992 14.546 -25.873 1.00 32.21 H new ATOM 0 HA ASN A 22 -4.374 14.765 -27.671 1.00 55.03 H new ATOM 0 HB2 ASN A 22 -5.809 16.753 -27.363 1.00 24.55 H new ATOM 0 HB3 ASN A 22 -5.425 15.999 -25.828 1.00 24.55 H new ATOM 0 HD21 ASN A 22 -4.550 19.889 -26.458 1.00 11.11 H new ATOM 0 HD22 ASN A 22 -5.553 18.900 -27.524 1.00 11.11 H new ATOM 369 N GLY A 23 -2.923 15.669 -29.556 1.00 14.30 N ATOM 370 CA GLY A 23 -2.391 16.260 -30.770 1.00 0.11 C ATOM 371 C GLY A 23 -1.130 15.568 -31.247 1.00 24.23 C ATOM 372 O GLY A 23 -0.209 16.216 -31.746 1.00 30.22 O ATOM 0 H GLY A 23 -2.900 14.650 -29.530 1.00 14.30 H new ATOM 0 HA2 GLY A 23 -3.146 16.213 -31.554 1.00 0.11 H new ATOM 0 HA3 GLY A 23 -2.179 17.315 -30.594 1.00 0.11 H new ATOM 376 N ILE A 24 -1.086 14.249 -31.092 1.00 23.14 N ATOM 377 CA ILE A 24 0.073 13.469 -31.510 1.00 13.24 C ATOM 378 C ILE A 24 -0.344 12.091 -32.012 1.00 14.21 C ATOM 379 O ILE A 24 -1.454 11.620 -31.759 1.00 4.40 O ATOM 380 CB ILE A 24 1.082 13.300 -30.359 1.00 63.10 C ATOM 381 CG1 ILE A 24 0.354 13.264 -29.014 1.00 23.52 C ATOM 382 CG2 ILE A 24 2.106 14.425 -30.383 1.00 63.10 C ATOM 383 CD1 ILE A 24 1.055 12.422 -27.970 1.00 73.22 C ATOM 0 H ILE A 24 -1.839 13.698 -30.680 1.00 23.14 H new ATOM 0 HA ILE A 24 0.549 14.020 -32.321 1.00 13.24 H new ATOM 0 HB ILE A 24 1.607 12.354 -30.492 1.00 63.10 H new ATOM 0 HG12 ILE A 24 0.251 14.282 -28.639 1.00 23.52 H new ATOM 0 HG13 ILE A 24 -0.653 12.876 -29.165 1.00 23.52 H new ATOM 0 HG21 ILE A 24 2.812 14.292 -29.564 1.00 63.10 H new ATOM 0 HG22 ILE A 24 2.643 14.408 -31.331 1.00 63.10 H new ATOM 0 HG23 ILE A 24 1.597 15.383 -30.271 1.00 63.10 H new ATOM 0 HD11 ILE A 24 0.483 12.442 -27.042 1.00 73.22 H new ATOM 0 HD12 ILE A 24 1.135 11.394 -28.325 1.00 73.22 H new ATOM 0 HD13 ILE A 24 2.053 12.822 -27.790 1.00 73.22 H new ATOM 395 N PRO A 25 0.565 11.426 -32.740 1.00 2.42 N ATOM 396 CA PRO A 25 0.316 10.091 -33.291 1.00 54.31 C ATOM 397 C PRO A 25 0.255 9.019 -32.208 1.00 54.24 C ATOM 398 O PRO A 25 0.218 7.825 -32.505 1.00 42.51 O ATOM 399 CB PRO A 25 1.518 9.856 -34.209 1.00 54.22 C ATOM 400 CG PRO A 25 2.596 10.717 -33.649 1.00 5.22 C ATOM 401 CD PRO A 25 1.908 11.927 -33.080 1.00 74.13 C ATOM 0 HA PRO A 25 -0.645 10.034 -33.802 1.00 54.31 H new ATOM 0 HB2 PRO A 25 1.812 8.807 -34.215 1.00 54.22 H new ATOM 0 HB3 PRO A 25 1.289 10.128 -35.239 1.00 54.22 H new ATOM 0 HG2 PRO A 25 3.156 10.188 -32.878 1.00 5.22 H new ATOM 0 HG3 PRO A 25 3.309 11.002 -34.423 1.00 5.22 H new ATOM 0 HD2 PRO A 25 2.428 12.310 -32.202 1.00 74.13 H new ATOM 0 HD3 PRO A 25 1.862 12.741 -33.804 1.00 74.13 H new ATOM 409 N ALA A 26 0.243 9.453 -30.952 1.00 44.23 N ATOM 410 CA ALA A 26 0.184 8.530 -29.826 1.00 2.33 C ATOM 411 C ALA A 26 -1.039 7.624 -29.922 1.00 4.31 C ATOM 412 O ALA A 26 -1.086 6.563 -29.301 1.00 1.13 O ATOM 413 CB ALA A 26 0.171 9.300 -28.513 1.00 64.22 C ATOM 0 H ALA A 26 0.273 10.438 -30.689 1.00 44.23 H new ATOM 0 HA ALA A 26 1.073 7.900 -29.857 1.00 2.33 H new ATOM 0 HB1 ALA A 26 0.127 8.598 -27.680 1.00 64.22 H new ATOM 0 HB2 ALA A 26 1.078 9.900 -28.434 1.00 64.22 H new ATOM 0 HB3 ALA A 26 -0.701 9.954 -28.483 1.00 64.22 H new ATOM 419 N GLU A 27 -2.026 8.051 -30.704 1.00 25.23 N ATOM 420 CA GLU A 27 -3.249 7.277 -30.879 1.00 11.31 C ATOM 421 C GLU A 27 -2.933 5.855 -31.332 1.00 33.33 C ATOM 422 O GLU A 27 -3.578 4.898 -30.902 1.00 62.41 O ATOM 423 CB GLU A 27 -4.167 7.957 -31.898 1.00 21.45 C ATOM 424 CG GLU A 27 -3.435 8.482 -33.121 1.00 61.42 C ATOM 425 CD GLU A 27 -4.176 8.194 -34.412 1.00 60.34 C ATOM 426 OE1 GLU A 27 -5.422 8.109 -34.375 1.00 5.44 O ATOM 427 OE2 GLU A 27 -3.511 8.052 -35.460 1.00 12.51 O ATOM 0 H GLU A 27 -2.002 8.927 -31.225 1.00 25.23 H new ATOM 0 HA GLU A 27 -3.759 7.228 -29.917 1.00 11.31 H new ATOM 0 HB2 GLU A 27 -4.929 7.247 -32.218 1.00 21.45 H new ATOM 0 HB3 GLU A 27 -4.685 8.784 -31.412 1.00 21.45 H new ATOM 0 HG2 GLU A 27 -3.292 9.558 -33.020 1.00 61.42 H new ATOM 0 HG3 GLU A 27 -2.443 8.032 -33.167 1.00 61.42 H new ATOM 434 N ASP A 28 -1.938 5.724 -32.202 1.00 11.52 N ATOM 435 CA ASP A 28 -1.536 4.419 -32.713 1.00 45.54 C ATOM 436 C ASP A 28 -0.936 3.562 -31.603 1.00 42.12 C ATOM 437 O ASP A 28 -1.036 2.336 -31.630 1.00 34.44 O ATOM 438 CB ASP A 28 -0.526 4.583 -33.850 1.00 43.04 C ATOM 439 CG ASP A 28 -0.876 5.732 -34.775 1.00 74.03 C ATOM 440 OD1 ASP A 28 -1.951 5.677 -35.410 1.00 22.41 O ATOM 441 OD2 ASP A 28 -0.077 6.687 -34.864 1.00 21.12 O ATOM 0 H ASP A 28 -1.395 6.506 -32.568 1.00 11.52 H new ATOM 0 HA ASP A 28 -2.424 3.916 -33.095 1.00 45.54 H new ATOM 0 HB2 ASP A 28 0.466 4.748 -33.430 1.00 43.04 H new ATOM 0 HB3 ASP A 28 -0.478 3.659 -34.426 1.00 43.04 H new ATOM 446 N SER A 29 -0.311 4.216 -30.629 1.00 42.24 N ATOM 447 CA SER A 29 0.310 3.514 -29.512 1.00 73.34 C ATOM 448 C SER A 29 -0.740 3.077 -28.495 1.00 2.23 C ATOM 449 O SER A 29 -0.702 1.955 -27.992 1.00 31.14 O ATOM 450 CB SER A 29 1.352 4.407 -28.836 1.00 73.33 C ATOM 451 OG SER A 29 1.804 5.420 -29.718 1.00 30.03 O ATOM 0 H SER A 29 -0.221 5.231 -30.591 1.00 42.24 H new ATOM 0 HA SER A 29 0.804 2.625 -29.903 1.00 73.34 H new ATOM 0 HB2 SER A 29 0.922 4.862 -27.944 1.00 73.33 H new ATOM 0 HB3 SER A 29 2.197 3.802 -28.509 1.00 73.33 H new ATOM 0 HG SER A 29 2.468 5.978 -29.262 1.00 30.03 H new ATOM 457 N GLU A 30 -1.675 3.974 -28.197 1.00 72.31 N ATOM 458 CA GLU A 30 -2.735 3.682 -27.239 1.00 22.42 C ATOM 459 C GLU A 30 -3.566 2.485 -27.694 1.00 44.31 C ATOM 460 O GLU A 30 -4.165 1.787 -26.877 1.00 72.13 O ATOM 461 CB GLU A 30 -3.638 4.903 -27.055 1.00 43.31 C ATOM 462 CG GLU A 30 -3.469 5.588 -25.709 1.00 42.13 C ATOM 463 CD GLU A 30 -2.377 6.641 -25.723 1.00 75.23 C ATOM 464 OE1 GLU A 30 -2.413 7.520 -26.610 1.00 72.41 O ATOM 465 OE2 GLU A 30 -1.488 6.586 -24.848 1.00 53.14 O ATOM 0 H GLU A 30 -1.720 4.908 -28.605 1.00 72.31 H new ATOM 0 HA GLU A 30 -2.269 3.437 -26.285 1.00 22.42 H new ATOM 0 HB2 GLU A 30 -3.429 5.622 -27.848 1.00 43.31 H new ATOM 0 HB3 GLU A 30 -4.678 4.596 -27.169 1.00 43.31 H new ATOM 0 HG2 GLU A 30 -4.412 6.052 -25.421 1.00 42.13 H new ATOM 0 HG3 GLU A 30 -3.237 4.840 -24.951 1.00 42.13 H new ATOM 472 N GLN A 31 -3.596 2.257 -29.003 1.00 43.11 N ATOM 473 CA GLN A 31 -4.354 1.147 -29.567 1.00 63.42 C ATOM 474 C GLN A 31 -3.998 -0.164 -28.873 1.00 3.21 C ATOM 475 O GLN A 31 -4.875 -0.965 -28.547 1.00 53.35 O ATOM 476 CB GLN A 31 -4.088 1.031 -31.069 1.00 64.50 C ATOM 477 CG GLN A 31 -4.424 -0.337 -31.643 1.00 3.44 C ATOM 478 CD GLN A 31 -5.008 -0.256 -33.039 1.00 45.03 C ATOM 479 OE1 GLN A 31 -4.417 -0.748 -34.001 1.00 22.40 O ATOM 480 NE2 GLN A 31 -6.174 0.367 -33.159 1.00 11.05 N ATOM 0 H GLN A 31 -3.104 2.826 -29.692 1.00 43.11 H new ATOM 0 HA GLN A 31 -5.414 1.346 -29.407 1.00 63.42 H new ATOM 0 HB2 GLN A 31 -4.671 1.789 -31.592 1.00 64.50 H new ATOM 0 HB3 GLN A 31 -3.037 1.248 -31.261 1.00 64.50 H new ATOM 0 HG2 GLN A 31 -3.522 -0.949 -31.665 1.00 3.44 H new ATOM 0 HG3 GLN A 31 -5.133 -0.839 -30.985 1.00 3.44 H new ATOM 0 HE21 GLN A 31 -6.629 0.760 -32.335 1.00 11.05 H new ATOM 0 HE22 GLN A 31 -6.615 0.452 -34.075 1.00 11.05 H new ATOM 489 N LEU A 32 -2.706 -0.377 -28.649 1.00 42.11 N ATOM 490 CA LEU A 32 -2.233 -1.591 -27.993 1.00 60.22 C ATOM 491 C LEU A 32 -2.207 -1.417 -26.478 1.00 44.21 C ATOM 492 O LEU A 32 -2.476 -2.356 -25.731 1.00 21.45 O ATOM 493 CB LEU A 32 -0.837 -1.958 -28.500 1.00 50.32 C ATOM 494 CG LEU A 32 -0.766 -2.525 -29.918 1.00 45.04 C ATOM 495 CD1 LEU A 32 0.039 -1.603 -30.822 1.00 33.30 C ATOM 496 CD2 LEU A 32 -0.161 -3.922 -29.904 1.00 52.53 C ATOM 0 H LEU A 32 -1.967 0.275 -28.912 1.00 42.11 H new ATOM 0 HA LEU A 32 -2.924 -2.398 -28.235 1.00 60.22 H new ATOM 0 HB2 LEU A 32 -0.210 -1.068 -28.454 1.00 50.32 H new ATOM 0 HB3 LEU A 32 -0.404 -2.688 -27.816 1.00 50.32 H new ATOM 0 HG LEU A 32 -1.780 -2.593 -30.313 1.00 45.04 H new ATOM 0 HD11 LEU A 32 0.079 -2.023 -31.827 1.00 33.30 H new ATOM 0 HD12 LEU A 32 -0.436 -0.622 -30.857 1.00 33.30 H new ATOM 0 HD13 LEU A 32 1.051 -1.502 -30.430 1.00 33.30 H new ATOM 0 HD21 LEU A 32 -0.118 -4.310 -30.922 1.00 52.53 H new ATOM 0 HD22 LEU A 32 0.846 -3.878 -29.490 1.00 52.53 H new ATOM 0 HD23 LEU A 32 -0.777 -4.579 -29.291 1.00 52.53 H new ATOM 508 N ALA A 33 -1.882 -0.207 -26.032 1.00 73.54 N ATOM 509 CA ALA A 33 -1.825 0.091 -24.607 1.00 13.31 C ATOM 510 C ALA A 33 -3.176 -0.150 -23.941 1.00 24.31 C ATOM 511 O ALA A 33 -3.244 -0.659 -22.822 1.00 74.11 O ATOM 512 CB ALA A 33 -1.375 1.528 -24.386 1.00 74.04 C ATOM 0 H ALA A 33 -1.654 0.582 -26.638 1.00 73.54 H new ATOM 0 HA ALA A 33 -1.099 -0.581 -24.149 1.00 13.31 H new ATOM 0 HB1 ALA A 33 -1.337 1.737 -23.317 1.00 74.04 H new ATOM 0 HB2 ALA A 33 -0.385 1.670 -24.819 1.00 74.04 H new ATOM 0 HB3 ALA A 33 -2.081 2.208 -24.864 1.00 74.04 H new ATOM 518 N SER A 34 -4.247 0.218 -24.635 1.00 52.53 N ATOM 519 CA SER A 34 -5.596 0.046 -24.109 1.00 30.33 C ATOM 520 C SER A 34 -5.842 -1.407 -23.712 1.00 55.30 C ATOM 521 O SER A 34 -6.420 -1.686 -22.662 1.00 50.13 O ATOM 522 CB SER A 34 -6.631 0.486 -25.145 1.00 74.25 C ATOM 523 OG SER A 34 -6.412 1.827 -25.548 1.00 31.23 O ATOM 0 H SER A 34 -4.207 0.638 -25.564 1.00 52.53 H new ATOM 0 HA SER A 34 -5.695 0.670 -23.221 1.00 30.33 H new ATOM 0 HB2 SER A 34 -6.582 -0.171 -26.014 1.00 74.25 H new ATOM 0 HB3 SER A 34 -7.633 0.388 -24.727 1.00 74.25 H new ATOM 0 HG SER A 34 -5.832 1.841 -26.338 1.00 31.23 H new ATOM 529 N GLY A 35 -5.399 -2.329 -24.561 1.00 74.02 N ATOM 530 CA GLY A 35 -5.581 -3.742 -24.283 1.00 43.31 C ATOM 531 C GLY A 35 -4.719 -4.221 -23.132 1.00 64.43 C ATOM 532 O GLY A 35 -5.109 -5.122 -22.390 1.00 12.10 O ATOM 0 H GLY A 35 -4.917 -2.123 -25.436 1.00 74.02 H new ATOM 0 HA2 GLY A 35 -6.629 -3.932 -24.052 1.00 43.31 H new ATOM 0 HA3 GLY A 35 -5.342 -4.319 -25.177 1.00 43.31 H new ATOM 536 N GLN A 36 -3.543 -3.620 -22.985 1.00 44.21 N ATOM 537 CA GLN A 36 -2.622 -3.993 -21.918 1.00 32.43 C ATOM 538 C GLN A 36 -3.019 -3.334 -20.601 1.00 73.00 C ATOM 539 O GLN A 36 -2.619 -3.782 -19.527 1.00 52.20 O ATOM 540 CB GLN A 36 -1.191 -3.599 -22.288 1.00 74.30 C ATOM 541 CG GLN A 36 -0.519 -4.574 -23.241 1.00 71.21 C ATOM 542 CD GLN A 36 0.308 -3.876 -24.302 1.00 64.13 C ATOM 543 OE1 GLN A 36 0.598 -2.684 -24.195 1.00 64.24 O ATOM 544 NE2 GLN A 36 0.694 -4.617 -25.335 1.00 11.31 N ATOM 0 H GLN A 36 -3.205 -2.873 -23.591 1.00 44.21 H new ATOM 0 HA GLN A 36 -2.672 -5.075 -21.792 1.00 32.43 H new ATOM 0 HB2 GLN A 36 -1.202 -2.608 -22.743 1.00 74.30 H new ATOM 0 HB3 GLN A 36 -0.596 -3.525 -21.378 1.00 74.30 H new ATOM 0 HG2 GLN A 36 0.121 -5.249 -22.673 1.00 71.21 H new ATOM 0 HG3 GLN A 36 -1.280 -5.187 -23.724 1.00 71.21 H new ATOM 0 HE21 GLN A 36 0.431 -5.601 -25.383 1.00 11.31 H new ATOM 0 HE22 GLN A 36 1.253 -4.202 -26.080 1.00 11.31 H new ATOM 553 N GLU A 37 -3.808 -2.268 -20.693 1.00 10.21 N ATOM 554 CA GLU A 37 -4.258 -1.547 -19.508 1.00 5.40 C ATOM 555 C GLU A 37 -5.308 -2.351 -18.748 1.00 11.24 C ATOM 556 O GLU A 37 -5.649 -2.028 -17.610 1.00 51.42 O ATOM 557 CB GLU A 37 -4.829 -0.182 -19.900 1.00 60.52 C ATOM 558 CG GLU A 37 -3.778 0.801 -20.386 1.00 5.02 C ATOM 559 CD GLU A 37 -4.301 1.728 -21.465 1.00 44.45 C ATOM 560 OE1 GLU A 37 -5.501 2.069 -21.423 1.00 54.22 O ATOM 561 OE2 GLU A 37 -3.510 2.113 -22.352 1.00 51.02 O ATOM 0 H GLU A 37 -4.148 -1.885 -21.575 1.00 10.21 H new ATOM 0 HA GLU A 37 -3.397 -1.399 -18.856 1.00 5.40 H new ATOM 0 HB2 GLU A 37 -5.574 -0.321 -20.683 1.00 60.52 H new ATOM 0 HB3 GLU A 37 -5.345 0.247 -19.041 1.00 60.52 H new ATOM 0 HG2 GLU A 37 -3.423 1.394 -19.543 1.00 5.02 H new ATOM 0 HG3 GLU A 37 -2.920 0.249 -20.771 1.00 5.02 H new ATOM 568 N ALA A 38 -5.818 -3.400 -19.385 1.00 45.21 N ATOM 569 CA ALA A 38 -6.828 -4.251 -18.769 1.00 63.24 C ATOM 570 C ALA A 38 -6.369 -4.746 -17.402 1.00 32.21 C ATOM 571 O ALA A 38 -7.176 -5.203 -16.594 1.00 33.05 O ATOM 572 CB ALA A 38 -7.151 -5.428 -19.678 1.00 22.32 C ATOM 0 H ALA A 38 -5.548 -3.681 -20.328 1.00 45.21 H new ATOM 0 HA ALA A 38 -7.731 -3.657 -18.627 1.00 63.24 H new ATOM 0 HB1 ALA A 38 -7.907 -6.056 -19.206 1.00 22.32 H new ATOM 0 HB2 ALA A 38 -7.530 -5.059 -20.631 1.00 22.32 H new ATOM 0 HB3 ALA A 38 -6.248 -6.014 -19.849 1.00 22.32 H new ATOM 578 N GLY A 39 -5.067 -4.653 -17.150 1.00 0.23 N ATOM 579 CA GLY A 39 -4.524 -5.096 -15.879 1.00 42.00 C ATOM 580 C GLY A 39 -5.605 -5.407 -14.863 1.00 70.43 C ATOM 581 O GLY A 39 -6.228 -4.500 -14.312 1.00 11.11 O ATOM 0 H GLY A 39 -4.379 -4.279 -17.803 1.00 0.23 H new ATOM 0 HA2 GLY A 39 -3.913 -5.985 -16.038 1.00 42.00 H new ATOM 0 HA3 GLY A 39 -3.866 -4.324 -15.480 1.00 42.00 H new ATOM 585 N ASP A 40 -5.830 -6.693 -14.616 1.00 63.13 N ATOM 586 CA ASP A 40 -6.844 -7.122 -13.660 1.00 60.23 C ATOM 587 C ASP A 40 -6.545 -6.574 -12.268 1.00 54.24 C ATOM 588 O ASP A 40 -7.406 -5.995 -11.605 1.00 2.02 O ATOM 589 CB ASP A 40 -6.919 -8.649 -13.615 1.00 72.11 C ATOM 590 CG ASP A 40 -8.214 -9.182 -14.196 1.00 31.43 C ATOM 591 OD1 ASP A 40 -8.369 -9.146 -15.435 1.00 1.54 O ATOM 592 OD2 ASP A 40 -9.072 -9.638 -13.411 1.00 55.55 O ATOM 0 H ASP A 40 -5.324 -7.456 -15.065 1.00 63.13 H new ATOM 0 HA ASP A 40 -7.806 -6.728 -13.987 1.00 60.23 H new ATOM 0 HB2 ASP A 40 -6.077 -9.068 -14.167 1.00 72.11 H new ATOM 0 HB3 ASP A 40 -6.822 -8.984 -12.582 1.00 72.11 H new ATOM 597 N PRO A 41 -5.297 -6.760 -11.814 1.00 33.01 N ATOM 598 CA PRO A 41 -4.857 -6.292 -10.497 1.00 5.25 C ATOM 599 C PRO A 41 -4.761 -4.772 -10.424 1.00 11.34 C ATOM 600 O PRO A 41 -4.893 -4.083 -11.434 1.00 41.41 O ATOM 601 CB PRO A 41 -3.471 -6.923 -10.341 1.00 45.34 C ATOM 602 CG PRO A 41 -2.994 -7.137 -11.736 1.00 45.03 C ATOM 603 CD PRO A 41 -4.220 -7.442 -12.551 1.00 51.52 C ATOM 0 HA PRO A 41 -5.558 -6.571 -9.711 1.00 5.25 H new ATOM 0 HB2 PRO A 41 -2.798 -6.268 -9.788 1.00 45.34 H new ATOM 0 HB3 PRO A 41 -3.523 -7.863 -9.792 1.00 45.34 H new ATOM 0 HG2 PRO A 41 -2.484 -6.251 -12.114 1.00 45.03 H new ATOM 0 HG3 PRO A 41 -2.280 -7.959 -11.782 1.00 45.03 H new ATOM 0 HD2 PRO A 41 -4.129 -7.066 -13.570 1.00 51.52 H new ATOM 0 HD3 PRO A 41 -4.399 -8.515 -12.622 1.00 51.52 H new ATOM 611 N GLY A 42 -4.531 -4.255 -9.220 1.00 44.44 N ATOM 612 CA GLY A 42 -4.421 -2.819 -9.039 1.00 32.04 C ATOM 613 C GLY A 42 -3.032 -2.299 -9.350 1.00 63.41 C ATOM 614 O GLY A 42 -2.866 -1.139 -9.728 1.00 1.25 O ATOM 0 H GLY A 42 -4.419 -4.805 -8.368 1.00 44.44 H new ATOM 0 HA2 GLY A 42 -5.145 -2.319 -9.682 1.00 32.04 H new ATOM 0 HA3 GLY A 42 -4.679 -2.565 -8.011 1.00 32.04 H new ATOM 618 N CYS A 43 -2.031 -3.158 -9.191 1.00 32.54 N ATOM 619 CA CYS A 43 -0.648 -2.779 -9.455 1.00 41.21 C ATOM 620 C CYS A 43 -0.474 -2.331 -10.903 1.00 14.23 C ATOM 621 O CYS A 43 0.507 -1.670 -11.246 1.00 71.32 O ATOM 622 CB CYS A 43 0.290 -3.949 -9.155 1.00 2.43 C ATOM 623 SG CYS A 43 -0.002 -5.411 -10.178 1.00 4.42 S ATOM 0 H CYS A 43 -2.152 -4.122 -8.880 1.00 32.54 H new ATOM 0 HA CYS A 43 -0.395 -1.944 -8.802 1.00 41.21 H new ATOM 0 HB2 CYS A 43 1.320 -3.620 -9.296 1.00 2.43 H new ATOM 0 HB3 CYS A 43 0.184 -4.226 -8.106 1.00 2.43 H new ATOM 0 HG CYS A 43 0.842 -6.345 -9.851 1.00 4.42 H new ATOM 629 N LEU A 44 -1.432 -2.695 -11.748 1.00 31.40 N ATOM 630 CA LEU A 44 -1.385 -2.332 -13.160 1.00 70.52 C ATOM 631 C LEU A 44 -2.065 -0.988 -13.400 1.00 22.21 C ATOM 632 O LEU A 44 -1.860 -0.352 -14.434 1.00 2.01 O ATOM 633 CB LEU A 44 -2.056 -3.415 -14.008 1.00 13.43 C ATOM 634 CG LEU A 44 -1.116 -4.380 -14.731 1.00 34.02 C ATOM 635 CD1 LEU A 44 -0.278 -3.638 -15.760 1.00 61.31 C ATOM 636 CD2 LEU A 44 -0.223 -5.102 -13.733 1.00 31.41 C ATOM 0 H LEU A 44 -2.251 -3.241 -11.480 1.00 31.40 H new ATOM 0 HA LEU A 44 -0.339 -2.246 -13.453 1.00 70.52 H new ATOM 0 HB2 LEU A 44 -2.715 -3.996 -13.363 1.00 13.43 H new ATOM 0 HB3 LEU A 44 -2.686 -2.927 -14.752 1.00 13.43 H new ATOM 0 HG LEU A 44 -1.719 -5.123 -15.252 1.00 34.02 H new ATOM 0 HD11 LEU A 44 0.385 -4.341 -16.265 1.00 61.31 H new ATOM 0 HD12 LEU A 44 -0.934 -3.168 -16.493 1.00 61.31 H new ATOM 0 HD13 LEU A 44 0.317 -2.872 -15.261 1.00 61.31 H new ATOM 0 HD21 LEU A 44 0.439 -5.785 -14.265 1.00 31.41 H new ATOM 0 HD22 LEU A 44 0.373 -4.373 -13.184 1.00 31.41 H new ATOM 0 HD23 LEU A 44 -0.840 -5.666 -13.034 1.00 31.41 H new ATOM 648 N LYS A 45 -2.874 -0.560 -12.437 1.00 5.14 N ATOM 649 CA LYS A 45 -3.582 0.711 -12.540 1.00 24.52 C ATOM 650 C LYS A 45 -2.604 1.862 -12.754 1.00 15.10 C ATOM 651 O LYS A 45 -2.816 2.739 -13.591 1.00 44.55 O ATOM 652 CB LYS A 45 -4.411 0.960 -11.278 1.00 72.52 C ATOM 653 CG LYS A 45 -5.857 1.329 -11.564 1.00 24.42 C ATOM 654 CD LYS A 45 -6.793 0.163 -11.295 1.00 34.10 C ATOM 655 CE LYS A 45 -7.153 -0.570 -12.578 1.00 75.11 C ATOM 656 NZ LYS A 45 -6.164 -1.633 -12.906 1.00 64.31 N ATOM 0 H LYS A 45 -3.056 -1.075 -11.576 1.00 5.14 H new ATOM 0 HA LYS A 45 -4.249 0.659 -13.401 1.00 24.52 H new ATOM 0 HB2 LYS A 45 -4.389 0.065 -10.656 1.00 72.52 H new ATOM 0 HB3 LYS A 45 -3.948 1.760 -10.701 1.00 72.52 H new ATOM 0 HG2 LYS A 45 -6.146 2.179 -10.946 1.00 24.42 H new ATOM 0 HG3 LYS A 45 -5.955 1.643 -12.603 1.00 24.42 H new ATOM 0 HD2 LYS A 45 -6.321 -0.530 -10.599 1.00 34.10 H new ATOM 0 HD3 LYS A 45 -7.702 0.527 -10.816 1.00 34.10 H new ATOM 0 HE2 LYS A 45 -8.143 -1.014 -12.477 1.00 75.11 H new ATOM 0 HE3 LYS A 45 -7.206 0.143 -13.401 1.00 75.11 H new ATOM 0 HZ1 LYS A 45 -6.588 -2.307 -13.575 1.00 64.31 H new ATOM 0 HZ2 LYS A 45 -5.321 -1.202 -13.336 1.00 64.31 H new ATOM 0 HZ3 LYS A 45 -5.891 -2.134 -12.036 1.00 64.31 H new ATOM 670 N PRO A 46 -1.508 1.861 -11.981 1.00 71.42 N ATOM 671 CA PRO A 46 -0.476 2.898 -12.070 1.00 22.52 C ATOM 672 C PRO A 46 0.320 2.814 -13.368 1.00 13.20 C ATOM 673 O PRO A 46 0.869 3.812 -13.837 1.00 11.12 O ATOM 674 CB PRO A 46 0.427 2.603 -10.869 1.00 61.44 C ATOM 675 CG PRO A 46 0.236 1.150 -10.599 1.00 53.13 C ATOM 676 CD PRO A 46 -1.192 0.846 -10.962 1.00 4.11 C ATOM 0 HA PRO A 46 -0.904 3.901 -12.064 1.00 22.52 H new ATOM 0 HB2 PRO A 46 1.469 2.830 -11.092 1.00 61.44 H new ATOM 0 HB3 PRO A 46 0.147 3.206 -10.005 1.00 61.44 H new ATOM 0 HG2 PRO A 46 0.926 0.549 -11.191 1.00 53.13 H new ATOM 0 HG3 PRO A 46 0.430 0.919 -9.552 1.00 53.13 H new ATOM 0 HD2 PRO A 46 -1.300 -0.165 -11.355 1.00 4.11 H new ATOM 0 HD3 PRO A 46 -1.852 0.925 -10.098 1.00 4.11 H new ATOM 684 N LEU A 47 0.378 1.619 -13.945 1.00 52.10 N ATOM 685 CA LEU A 47 1.106 1.405 -15.191 1.00 3.53 C ATOM 686 C LEU A 47 0.214 1.678 -16.397 1.00 53.32 C ATOM 687 O LEU A 47 0.700 1.997 -17.483 1.00 33.30 O ATOM 688 CB LEU A 47 1.643 -0.026 -15.252 1.00 14.21 C ATOM 689 CG LEU A 47 2.718 -0.295 -16.305 1.00 74.34 C ATOM 690 CD1 LEU A 47 4.091 0.086 -15.776 1.00 42.41 C ATOM 691 CD2 LEU A 47 2.694 -1.757 -16.729 1.00 45.43 C ATOM 0 H LEU A 47 -0.070 0.783 -13.570 1.00 52.10 H new ATOM 0 HA LEU A 47 1.944 2.102 -15.218 1.00 3.53 H new ATOM 0 HB2 LEU A 47 2.049 -0.282 -14.273 1.00 14.21 H new ATOM 0 HB3 LEU A 47 0.806 -0.699 -15.436 1.00 14.21 H new ATOM 0 HG LEU A 47 2.505 0.320 -17.179 1.00 74.34 H new ATOM 0 HD11 LEU A 47 4.843 -0.113 -16.540 1.00 42.41 H new ATOM 0 HD12 LEU A 47 4.102 1.146 -15.523 1.00 42.41 H new ATOM 0 HD13 LEU A 47 4.314 -0.502 -14.886 1.00 42.41 H new ATOM 0 HD21 LEU A 47 3.466 -1.931 -17.479 1.00 45.43 H new ATOM 0 HD22 LEU A 47 2.881 -2.390 -15.862 1.00 45.43 H new ATOM 0 HD23 LEU A 47 1.718 -1.998 -17.150 1.00 45.43 H new ATOM 703 N HIS A 48 -1.095 1.553 -16.199 1.00 42.31 N ATOM 704 CA HIS A 48 -2.056 1.789 -17.270 1.00 51.24 C ATOM 705 C HIS A 48 -2.387 3.274 -17.386 1.00 50.12 C ATOM 706 O HIS A 48 -2.509 3.808 -18.488 1.00 70.32 O ATOM 707 CB HIS A 48 -3.334 0.988 -17.023 1.00 34.31 C ATOM 708 CG HIS A 48 -4.552 1.842 -16.846 1.00 30.30 C ATOM 709 ND1 HIS A 48 -5.205 2.449 -17.898 1.00 23.10 N ATOM 710 CD2 HIS A 48 -5.237 2.187 -15.731 1.00 4.34 C ATOM 711 CE1 HIS A 48 -6.237 3.132 -17.437 1.00 50.42 C ATOM 712 NE2 HIS A 48 -6.279 2.990 -16.125 1.00 21.32 N ATOM 0 H HIS A 48 -1.514 1.290 -15.307 1.00 42.31 H new ATOM 0 HA HIS A 48 -1.606 1.461 -18.207 1.00 51.24 H new ATOM 0 HB2 HIS A 48 -3.495 0.309 -17.860 1.00 34.31 H new ATOM 0 HB3 HIS A 48 -3.200 0.371 -16.134 1.00 34.31 H new ATOM 0 HD2 HIS A 48 -5.007 1.887 -14.719 1.00 4.34 H new ATOM 0 HE1 HIS A 48 -6.929 3.709 -18.032 1.00 50.42 H new ATOM 0 HE2 HIS A 48 -6.972 3.409 -15.505 1.00 21.32 H new ATOM 720 N GLU A 49 -2.531 3.934 -16.241 1.00 55.44 N ATOM 721 CA GLU A 49 -2.850 5.357 -16.216 1.00 0.21 C ATOM 722 C GLU A 49 -1.866 6.150 -17.071 1.00 50.41 C ATOM 723 O GLU A 49 -2.226 7.159 -17.678 1.00 41.31 O ATOM 724 CB GLU A 49 -2.831 5.881 -14.778 1.00 42.14 C ATOM 725 CG GLU A 49 -1.624 5.421 -13.979 1.00 24.42 C ATOM 726 CD GLU A 49 -0.571 6.503 -13.836 1.00 61.44 C ATOM 727 OE1 GLU A 49 -0.176 7.087 -14.867 1.00 73.41 O ATOM 728 OE2 GLU A 49 -0.142 6.765 -12.693 1.00 40.32 O ATOM 0 H GLU A 49 -2.432 3.507 -15.320 1.00 55.44 H new ATOM 0 HA GLU A 49 -3.850 5.487 -16.629 1.00 0.21 H new ATOM 0 HB2 GLU A 49 -2.850 6.971 -14.797 1.00 42.14 H new ATOM 0 HB3 GLU A 49 -3.738 5.555 -14.269 1.00 42.14 H new ATOM 0 HG2 GLU A 49 -1.949 5.102 -12.988 1.00 24.42 H new ATOM 0 HG3 GLU A 49 -1.182 4.551 -14.465 1.00 24.42 H new ATOM 735 N LYS A 50 -0.621 5.687 -17.114 1.00 14.23 N ATOM 736 CA LYS A 50 0.416 6.351 -17.894 1.00 22.00 C ATOM 737 C LYS A 50 -0.003 6.485 -19.354 1.00 71.24 C ATOM 738 O LYS A 50 0.157 7.544 -19.961 1.00 71.14 O ATOM 739 CB LYS A 50 1.731 5.573 -17.799 1.00 53.10 C ATOM 740 CG LYS A 50 2.576 5.650 -19.059 1.00 14.31 C ATOM 741 CD LYS A 50 2.997 7.079 -19.361 1.00 23.52 C ATOM 742 CE LYS A 50 3.411 7.242 -20.815 1.00 65.22 C ATOM 743 NZ LYS A 50 2.560 8.235 -21.526 1.00 73.03 N ATOM 0 H LYS A 50 -0.306 4.854 -16.617 1.00 14.23 H new ATOM 0 HA LYS A 50 0.561 7.350 -17.483 1.00 22.00 H new ATOM 0 HB2 LYS A 50 2.310 5.956 -16.959 1.00 53.10 H new ATOM 0 HB3 LYS A 50 1.510 4.528 -17.583 1.00 53.10 H new ATOM 0 HG2 LYS A 50 3.462 5.025 -18.943 1.00 14.31 H new ATOM 0 HG3 LYS A 50 2.012 5.250 -19.902 1.00 14.31 H new ATOM 0 HD2 LYS A 50 2.173 7.757 -19.138 1.00 23.52 H new ATOM 0 HD3 LYS A 50 3.826 7.360 -18.712 1.00 23.52 H new ATOM 0 HE2 LYS A 50 4.453 7.557 -20.863 1.00 65.22 H new ATOM 0 HE3 LYS A 50 3.346 6.279 -21.321 1.00 65.22 H new ATOM 0 HZ1 LYS A 50 2.551 8.019 -22.543 1.00 73.03 H new ATOM 0 HZ2 LYS A 50 1.590 8.191 -21.154 1.00 73.03 H new ATOM 0 HZ3 LYS A 50 2.944 9.190 -21.379 1.00 73.03 H new ATOM 757 N ASP A 51 -0.541 5.406 -19.912 1.00 33.22 N ATOM 758 CA ASP A 51 -0.986 5.404 -21.301 1.00 33.24 C ATOM 759 C ASP A 51 -2.303 6.160 -21.451 1.00 5.34 C ATOM 760 O ASP A 51 -2.666 6.582 -22.548 1.00 41.04 O ATOM 761 CB ASP A 51 -1.148 3.969 -21.805 1.00 31.14 C ATOM 762 CG ASP A 51 0.049 3.100 -21.472 1.00 41.14 C ATOM 763 OD1 ASP A 51 0.104 2.572 -20.342 1.00 1.12 O ATOM 764 OD2 ASP A 51 0.931 2.948 -22.343 1.00 73.53 O ATOM 0 H ASP A 51 -0.680 4.521 -19.424 1.00 33.22 H new ATOM 0 HA ASP A 51 -0.228 5.908 -21.900 1.00 33.24 H new ATOM 0 HB2 ASP A 51 -2.044 3.532 -21.365 1.00 31.14 H new ATOM 0 HB3 ASP A 51 -1.296 3.981 -22.885 1.00 31.14 H new ATOM 769 N SER A 52 -3.013 6.327 -20.340 1.00 12.22 N ATOM 770 CA SER A 52 -4.292 7.028 -20.348 1.00 43.44 C ATOM 771 C SER A 52 -4.092 8.520 -20.601 1.00 23.30 C ATOM 772 O SER A 52 -4.852 9.142 -21.342 1.00 32.51 O ATOM 773 CB SER A 52 -5.022 6.818 -19.021 1.00 22.14 C ATOM 774 OG SER A 52 -5.557 5.509 -18.935 1.00 74.31 O ATOM 0 H SER A 52 -2.724 5.987 -19.423 1.00 12.22 H new ATOM 0 HA SER A 52 -4.898 6.618 -21.156 1.00 43.44 H new ATOM 0 HB2 SER A 52 -4.334 6.988 -18.193 1.00 22.14 H new ATOM 0 HB3 SER A 52 -5.824 7.549 -18.924 1.00 22.14 H new ATOM 0 HG SER A 52 -6.499 5.557 -18.670 1.00 74.31 H new ATOM 780 N GLU A 53 -3.062 9.086 -19.979 1.00 14.12 N ATOM 781 CA GLU A 53 -2.763 10.505 -20.135 1.00 64.53 C ATOM 782 C GLU A 53 -2.497 10.846 -21.599 1.00 12.34 C ATOM 783 O GLU A 53 -2.864 11.921 -22.073 1.00 15.45 O ATOM 784 CB GLU A 53 -1.552 10.890 -19.283 1.00 21.34 C ATOM 785 CG GLU A 53 -1.250 9.898 -18.171 1.00 41.53 C ATOM 786 CD GLU A 53 -0.309 10.464 -17.125 1.00 62.43 C ATOM 787 OE1 GLU A 53 -0.615 11.541 -16.572 1.00 73.25 O ATOM 788 OE2 GLU A 53 0.734 9.830 -16.860 1.00 34.44 O ATOM 0 H GLU A 53 -2.422 8.585 -19.363 1.00 14.12 H new ATOM 0 HA GLU A 53 -3.630 11.073 -19.798 1.00 64.53 H new ATOM 0 HB2 GLU A 53 -0.678 10.977 -19.928 1.00 21.34 H new ATOM 0 HB3 GLU A 53 -1.724 11.873 -18.845 1.00 21.34 H new ATOM 0 HG2 GLU A 53 -2.183 9.600 -17.692 1.00 41.53 H new ATOM 0 HG3 GLU A 53 -0.810 8.998 -18.601 1.00 41.53 H new ATOM 795 N SER A 54 -1.856 9.924 -22.309 1.00 32.41 N ATOM 796 CA SER A 54 -1.537 10.128 -23.717 1.00 72.00 C ATOM 797 C SER A 54 -2.731 9.779 -24.601 1.00 10.23 C ATOM 798 O SER A 54 -2.854 10.274 -25.720 1.00 73.45 O ATOM 799 CB SER A 54 -0.328 9.280 -24.116 1.00 41.11 C ATOM 800 OG SER A 54 0.790 10.097 -24.418 1.00 23.44 O ATOM 0 H SER A 54 -1.547 9.028 -21.932 1.00 32.41 H new ATOM 0 HA SER A 54 -1.296 11.181 -23.860 1.00 72.00 H new ATOM 0 HB2 SER A 54 -0.075 8.597 -23.305 1.00 41.11 H new ATOM 0 HB3 SER A 54 -0.579 8.667 -24.982 1.00 41.11 H new ATOM 0 HG SER A 54 1.550 9.532 -24.668 1.00 23.44 H new ATOM 806 N GLY A 55 -3.609 8.923 -24.087 1.00 72.25 N ATOM 807 CA GLY A 55 -4.782 8.521 -24.842 1.00 40.42 C ATOM 808 C GLY A 55 -5.642 9.702 -25.248 1.00 33.41 C ATOM 809 O GLY A 55 -6.533 9.570 -26.086 1.00 42.44 O ATOM 0 H GLY A 55 -3.529 8.501 -23.162 1.00 72.25 H new ATOM 0 HA2 GLY A 55 -4.468 7.980 -25.735 1.00 40.42 H new ATOM 0 HA3 GLY A 55 -5.377 7.831 -24.244 1.00 40.42 H new ATOM 813 N GLY A 56 -5.377 10.859 -24.650 1.00 2.13 N ATOM 814 CA GLY A 56 -6.143 12.050 -24.965 1.00 55.23 C ATOM 815 C GLY A 56 -6.204 12.323 -26.455 1.00 73.42 C ATOM 816 O GLY A 56 -7.246 12.714 -26.980 1.00 30.12 O ATOM 0 H GLY A 56 -4.645 10.993 -23.952 1.00 2.13 H new ATOM 0 HA2 GLY A 56 -7.156 11.940 -24.577 1.00 55.23 H new ATOM 0 HA3 GLY A 56 -5.699 12.908 -24.459 1.00 55.23 H new ATOM 820 N GLY A 57 -5.083 12.117 -27.139 1.00 61.24 N ATOM 821 CA GLY A 57 -5.034 12.350 -28.571 1.00 20.31 C ATOM 822 C GLY A 57 -6.021 11.488 -29.333 1.00 32.34 C ATOM 823 O GLY A 57 -6.660 11.949 -30.279 1.00 1.55 O ATOM 0 H GLY A 57 -4.208 11.793 -26.727 1.00 61.24 H new ATOM 0 HA2 GLY A 57 -5.243 13.401 -28.772 1.00 20.31 H new ATOM 0 HA3 GLY A 57 -4.026 12.150 -28.934 1.00 20.31 H new ATOM 827 N LYS A 58 -6.146 10.230 -28.922 1.00 15.43 N ATOM 828 CA LYS A 58 -7.062 9.300 -29.571 1.00 53.33 C ATOM 829 C LYS A 58 -8.486 9.489 -29.056 1.00 64.01 C ATOM 830 O LYS A 58 -9.454 9.248 -29.777 1.00 61.12 O ATOM 831 CB LYS A 58 -6.610 7.858 -29.334 1.00 61.33 C ATOM 832 CG LYS A 58 -7.007 6.905 -30.448 1.00 75.32 C ATOM 833 CD LYS A 58 -8.316 6.197 -30.136 1.00 44.35 C ATOM 834 CE LYS A 58 -9.277 6.258 -31.314 1.00 3.52 C ATOM 835 NZ LYS A 58 -10.092 5.017 -31.430 1.00 5.43 N ATOM 0 H LYS A 58 -5.624 9.831 -28.142 1.00 15.43 H new ATOM 0 HA LYS A 58 -7.051 9.506 -30.641 1.00 53.33 H new ATOM 0 HB2 LYS A 58 -5.526 7.840 -29.221 1.00 61.33 H new ATOM 0 HB3 LYS A 58 -7.034 7.503 -28.395 1.00 61.33 H new ATOM 0 HG2 LYS A 58 -7.105 7.457 -31.383 1.00 75.32 H new ATOM 0 HG3 LYS A 58 -6.219 6.167 -30.595 1.00 75.32 H new ATOM 0 HD2 LYS A 58 -8.116 5.156 -29.881 1.00 44.35 H new ATOM 0 HD3 LYS A 58 -8.780 6.655 -29.263 1.00 44.35 H new ATOM 0 HE2 LYS A 58 -9.938 7.117 -31.199 1.00 3.52 H new ATOM 0 HE3 LYS A 58 -8.714 6.410 -32.235 1.00 3.52 H new ATOM 0 HZ1 LYS A 58 -10.734 5.098 -32.244 1.00 5.43 H new ATOM 0 HZ2 LYS A 58 -9.463 4.200 -31.565 1.00 5.43 H new ATOM 0 HZ3 LYS A 58 -10.649 4.885 -30.562 1.00 5.43 H new ATOM 849 N ASP A 59 -8.605 9.922 -27.806 1.00 43.41 N ATOM 850 CA ASP A 59 -9.910 10.146 -27.195 1.00 40.15 C ATOM 851 C ASP A 59 -10.683 11.227 -27.945 1.00 63.34 C ATOM 852 O ASP A 59 -11.897 11.131 -28.115 1.00 74.01 O ATOM 853 CB ASP A 59 -9.749 10.543 -25.727 1.00 63.02 C ATOM 854 CG ASP A 59 -10.094 11.998 -25.480 1.00 1.35 C ATOM 855 OD1 ASP A 59 -11.295 12.338 -25.518 1.00 51.41 O ATOM 856 OD2 ASP A 59 -9.163 12.797 -25.246 1.00 61.12 O ATOM 0 H ASP A 59 -7.813 10.125 -27.196 1.00 43.41 H new ATOM 0 HA ASP A 59 -10.474 9.215 -27.252 1.00 40.15 H new ATOM 0 HB2 ASP A 59 -10.388 9.911 -25.111 1.00 63.02 H new ATOM 0 HB3 ASP A 59 -8.721 10.358 -25.414 1.00 63.02 H new ATOM 861 N GLY A 60 -9.969 12.256 -28.392 1.00 0.14 N ATOM 862 CA GLY A 60 -10.604 13.341 -29.117 1.00 35.42 C ATOM 863 C GLY A 60 -11.390 12.853 -30.318 1.00 30.10 C ATOM 864 O GLY A 60 -10.858 12.138 -31.167 1.00 51.12 O ATOM 0 H GLY A 60 -8.962 12.357 -28.265 1.00 0.14 H new ATOM 0 HA2 GLY A 60 -11.271 13.882 -28.445 1.00 35.42 H new ATOM 0 HA3 GLY A 60 -9.843 14.048 -29.447 1.00 35.42 H new