USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 563 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 7 THR OG1 : rot -80:sc= 1.19 USER MOD Set 1.2: A 9 THR OG1 : rot -51:sc= 1.28 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.185) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.429 USER MOD Single : A 14 THR OG1 : rot -79:sc= 1.44 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0106 X(o=-0.011,f=-0.15) USER MOD Single : A 27 LYS NZ :NH3+ -105:sc= -3.48! (180deg=-7.18!) USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.181) USER MOD Single : A 31 GLN : amide:sc= -0.257 K(o=-0.26,f=-1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00441 X(o=-0.0044,f=0) USER MOD Single : A 41 GLN : amide:sc= -1.1 K(o=-1.1,f=-9.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.516 K(o=-0.52,f=-5.6!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.52 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -162:sc= 0.0125 USER MOD Single : A 60 ASN : amide:sc= -0.0275 X(o=-0.027,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0226 X(o=-0.023,f=-0.00039) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -91:sc= 0.355 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.0287 K(o=-0.029,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 74.913 -12.527 2.843 1.00 0.00 N ATOM 38 CA ILE A 3 73.965 -12.307 1.751 1.00 0.00 C ATOM 39 C ILE A 3 74.627 -11.452 0.672 1.00 0.00 C ATOM 40 O ILE A 3 75.745 -10.970 0.863 1.00 0.00 O ATOM 41 CB ILE A 3 72.718 -11.590 2.269 1.00 0.00 C ATOM 42 CG1 ILE A 3 73.134 -10.443 3.189 1.00 0.00 C ATOM 43 CG2 ILE A 3 71.845 -12.577 3.047 1.00 0.00 C ATOM 44 CD1 ILE A 3 72.020 -9.398 3.226 1.00 0.00 C ATOM 0 HA ILE A 3 73.673 -13.271 1.335 1.00 0.00 H new ATOM 0 HB ILE A 3 72.153 -11.193 1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 3 73.329 -10.819 4.193 1.00 0.00 H new ATOM 0 HG13 ILE A 3 74.060 -9.992 2.832 1.00 0.00 H new ATOM 0 HG21 ILE A 3 70.956 -12.065 3.416 1.00 0.00 H new ATOM 0 HG22 ILE A 3 71.546 -13.394 2.391 1.00 0.00 H new ATOM 0 HG23 ILE A 3 72.410 -12.976 3.890 1.00 0.00 H new ATOM 0 HD11 ILE A 3 72.312 -8.578 3.881 1.00 0.00 H new ATOM 0 HD12 ILE A 3 71.847 -9.015 2.220 1.00 0.00 H new ATOM 0 HD13 ILE A 3 71.105 -9.855 3.603 1.00 0.00 H new ATOM 56 N PHE A 4 73.942 -11.264 -0.454 1.00 0.00 N ATOM 57 CA PHE A 4 74.490 -10.459 -1.547 1.00 0.00 C ATOM 58 C PHE A 4 73.546 -9.313 -1.913 1.00 0.00 C ATOM 59 O PHE A 4 72.334 -9.501 -2.003 1.00 0.00 O ATOM 60 CB PHE A 4 74.722 -11.341 -2.775 1.00 0.00 C ATOM 61 CG PHE A 4 75.902 -12.250 -2.526 1.00 0.00 C ATOM 62 CD1 PHE A 4 77.205 -11.753 -2.643 1.00 0.00 C ATOM 63 CD2 PHE A 4 75.691 -13.589 -2.174 1.00 0.00 C ATOM 64 CE1 PHE A 4 78.298 -12.597 -2.408 1.00 0.00 C ATOM 65 CE2 PHE A 4 76.784 -14.431 -1.939 1.00 0.00 C ATOM 66 CZ PHE A 4 78.088 -13.934 -2.056 1.00 0.00 C ATOM 0 H PHE A 4 73.016 -11.653 -0.634 1.00 0.00 H new ATOM 0 HA PHE A 4 75.437 -10.034 -1.214 1.00 0.00 H new ATOM 0 HB2 PHE A 4 73.831 -11.933 -2.984 1.00 0.00 H new ATOM 0 HB3 PHE A 4 74.906 -10.721 -3.652 1.00 0.00 H new ATOM 0 HD1 PHE A 4 77.368 -10.720 -2.914 1.00 0.00 H new ATOM 0 HD2 PHE A 4 74.685 -13.972 -2.084 1.00 0.00 H new ATOM 0 HE1 PHE A 4 79.304 -12.215 -2.499 1.00 0.00 H new ATOM 0 HE2 PHE A 4 76.622 -15.464 -1.668 1.00 0.00 H new ATOM 0 HZ PHE A 4 78.932 -14.583 -1.874 1.00 0.00 H new ATOM 76 N VAL A 5 74.119 -8.128 -2.126 1.00 0.00 N ATOM 77 CA VAL A 5 73.331 -6.952 -2.494 1.00 0.00 C ATOM 78 C VAL A 5 73.853 -6.360 -3.797 1.00 0.00 C ATOM 79 O VAL A 5 75.026 -6.013 -3.900 1.00 0.00 O ATOM 80 CB VAL A 5 73.411 -5.894 -1.390 1.00 0.00 C ATOM 81 CG1 VAL A 5 72.596 -4.663 -1.800 1.00 0.00 C ATOM 82 CG2 VAL A 5 72.843 -6.470 -0.090 1.00 0.00 C ATOM 0 H VAL A 5 75.122 -7.958 -2.050 1.00 0.00 H new ATOM 0 HA VAL A 5 72.293 -7.258 -2.624 1.00 0.00 H new ATOM 0 HB VAL A 5 74.451 -5.607 -1.238 1.00 0.00 H new ATOM 0 HG11 VAL A 5 72.653 -3.910 -1.014 1.00 0.00 H new ATOM 0 HG12 VAL A 5 72.998 -4.252 -2.726 1.00 0.00 H new ATOM 0 HG13 VAL A 5 71.556 -4.950 -1.953 1.00 0.00 H new ATOM 0 HG21 VAL A 5 72.900 -5.718 0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 5 71.803 -6.757 -0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 5 73.422 -7.346 0.203 1.00 0.00 H new ATOM 92 N LYS A 6 72.978 -6.247 -4.792 1.00 0.00 N ATOM 93 CA LYS A 6 73.378 -5.697 -6.084 1.00 0.00 C ATOM 94 C LYS A 6 73.010 -4.220 -6.180 1.00 0.00 C ATOM 95 O LYS A 6 71.879 -3.831 -5.886 1.00 0.00 O ATOM 96 CB LYS A 6 72.695 -6.467 -7.215 1.00 0.00 C ATOM 97 CG LYS A 6 73.153 -7.928 -7.189 1.00 0.00 C ATOM 98 CD LYS A 6 74.399 -8.090 -8.063 1.00 0.00 C ATOM 99 CE LYS A 6 73.978 -8.318 -9.516 1.00 0.00 C ATOM 100 NZ LYS A 6 75.041 -7.807 -10.427 1.00 0.00 N ATOM 0 H LYS A 6 71.999 -6.525 -4.731 1.00 0.00 H new ATOM 0 HA LYS A 6 74.460 -5.796 -6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 6 71.612 -6.412 -7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 6 72.940 -6.015 -8.176 1.00 0.00 H new ATOM 0 HG2 LYS A 6 73.372 -8.233 -6.166 1.00 0.00 H new ATOM 0 HG3 LYS A 6 72.355 -8.576 -7.551 1.00 0.00 H new ATOM 0 HD2 LYS A 6 75.025 -7.201 -7.990 1.00 0.00 H new ATOM 0 HD3 LYS A 6 74.997 -8.931 -7.710 1.00 0.00 H new ATOM 0 HE2 LYS A 6 73.810 -9.380 -9.695 1.00 0.00 H new ATOM 0 HE3 LYS A 6 73.036 -7.808 -9.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 74.755 -7.962 -11.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 75.180 -6.790 -10.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 75.931 -8.313 -10.241 1.00 0.00 H new ATOM 114 N THR A 7 73.973 -3.402 -6.597 1.00 0.00 N ATOM 115 CA THR A 7 73.744 -1.968 -6.734 1.00 0.00 C ATOM 116 C THR A 7 73.607 -1.591 -8.206 1.00 0.00 C ATOM 117 O THR A 7 73.717 -2.443 -9.087 1.00 0.00 O ATOM 118 CB THR A 7 74.908 -1.192 -6.114 1.00 0.00 C ATOM 119 OG1 THR A 7 76.063 -1.345 -6.926 1.00 0.00 O ATOM 120 CG2 THR A 7 75.195 -1.727 -4.710 1.00 0.00 C ATOM 0 H THR A 7 74.915 -3.706 -6.845 1.00 0.00 H new ATOM 0 HA THR A 7 72.820 -1.713 -6.214 1.00 0.00 H new ATOM 0 HB THR A 7 74.645 -0.136 -6.049 1.00 0.00 H new ATOM 0 HG1 THR A 7 76.481 -2.212 -6.740 1.00 0.00 H new ATOM 0 HG21 THR A 7 76.024 -1.172 -4.272 1.00 0.00 H new ATOM 0 HG22 THR A 7 74.309 -1.607 -4.087 1.00 0.00 H new ATOM 0 HG23 THR A 7 75.457 -2.783 -4.770 1.00 0.00 H new ATOM 128 N LEU A 8 73.367 -0.309 -8.464 1.00 0.00 N ATOM 129 CA LEU A 8 73.218 0.168 -9.835 1.00 0.00 C ATOM 130 C LEU A 8 74.558 0.142 -10.561 1.00 0.00 C ATOM 131 O LEU A 8 74.623 0.354 -11.772 1.00 0.00 O ATOM 132 CB LEU A 8 72.663 1.593 -9.834 1.00 0.00 C ATOM 133 CG LEU A 8 71.357 1.635 -9.038 1.00 0.00 C ATOM 134 CD1 LEU A 8 71.476 2.667 -7.916 1.00 0.00 C ATOM 135 CD2 LEU A 8 70.208 2.027 -9.969 1.00 0.00 C ATOM 0 H LEU A 8 73.272 0.412 -7.749 1.00 0.00 H new ATOM 0 HA LEU A 8 72.524 -0.492 -10.356 1.00 0.00 H new ATOM 0 HB2 LEU A 8 73.390 2.277 -9.396 1.00 0.00 H new ATOM 0 HB3 LEU A 8 72.488 1.927 -10.857 1.00 0.00 H new ATOM 0 HG LEU A 8 71.161 0.653 -8.609 1.00 0.00 H new ATOM 0 HD11 LEU A 8 70.546 2.697 -7.349 1.00 0.00 H new ATOM 0 HD12 LEU A 8 72.296 2.391 -7.253 1.00 0.00 H new ATOM 0 HD13 LEU A 8 71.671 3.650 -8.345 1.00 0.00 H new ATOM 0 HD21 LEU A 8 69.276 2.058 -9.404 1.00 0.00 H new ATOM 0 HD22 LEU A 8 70.405 3.010 -10.397 1.00 0.00 H new ATOM 0 HD23 LEU A 8 70.122 1.293 -10.770 1.00 0.00 H new ATOM 147 N THR A 9 75.627 -0.117 -9.813 1.00 0.00 N ATOM 148 CA THR A 9 76.961 -0.167 -10.396 1.00 0.00 C ATOM 149 C THR A 9 77.351 -1.604 -10.721 1.00 0.00 C ATOM 150 O THR A 9 78.479 -1.874 -11.136 1.00 0.00 O ATOM 151 CB THR A 9 77.979 0.432 -9.424 1.00 0.00 C ATOM 152 OG1 THR A 9 78.230 -0.492 -8.374 1.00 0.00 O ATOM 153 CG2 THR A 9 77.427 1.733 -8.840 1.00 0.00 C ATOM 0 H THR A 9 75.595 -0.294 -8.809 1.00 0.00 H new ATOM 0 HA THR A 9 76.955 0.413 -11.319 1.00 0.00 H new ATOM 0 HB THR A 9 78.908 0.641 -9.955 1.00 0.00 H new ATOM 0 HG1 THR A 9 77.379 -0.794 -7.994 1.00 0.00 H new ATOM 0 HG21 THR A 9 78.154 2.158 -8.148 1.00 0.00 H new ATOM 0 HG22 THR A 9 77.236 2.441 -9.646 1.00 0.00 H new ATOM 0 HG23 THR A 9 76.497 1.528 -8.309 1.00 0.00 H new ATOM 161 N GLY A 10 76.413 -2.525 -10.531 1.00 0.00 N ATOM 162 CA GLY A 10 76.668 -3.934 -10.808 1.00 0.00 C ATOM 163 C GLY A 10 77.558 -4.546 -9.731 1.00 0.00 C ATOM 164 O GLY A 10 77.746 -5.762 -9.685 1.00 0.00 O ATOM 0 H GLY A 10 75.474 -2.323 -10.188 1.00 0.00 H new ATOM 0 HA2 GLY A 10 75.724 -4.476 -10.857 1.00 0.00 H new ATOM 0 HA3 GLY A 10 77.146 -4.037 -11.782 1.00 0.00 H new ATOM 168 N LYS A 11 78.105 -3.696 -8.869 1.00 0.00 N ATOM 169 CA LYS A 11 78.976 -4.165 -7.796 1.00 0.00 C ATOM 170 C LYS A 11 78.162 -4.862 -6.712 1.00 0.00 C ATOM 171 O LYS A 11 77.327 -4.241 -6.053 1.00 0.00 O ATOM 172 CB LYS A 11 79.734 -2.985 -7.185 1.00 0.00 C ATOM 173 CG LYS A 11 80.838 -3.508 -6.265 1.00 0.00 C ATOM 174 CD LYS A 11 80.805 -2.743 -4.940 1.00 0.00 C ATOM 175 CE LYS A 11 81.948 -3.223 -4.043 1.00 0.00 C ATOM 176 NZ LYS A 11 81.585 -4.533 -3.434 1.00 0.00 N ATOM 0 H LYS A 11 77.963 -2.686 -8.891 1.00 0.00 H new ATOM 0 HA LYS A 11 79.687 -4.876 -8.216 1.00 0.00 H new ATOM 0 HB2 LYS A 11 80.165 -2.369 -7.974 1.00 0.00 H new ATOM 0 HB3 LYS A 11 79.048 -2.350 -6.623 1.00 0.00 H new ATOM 0 HG2 LYS A 11 80.701 -4.574 -6.085 1.00 0.00 H new ATOM 0 HG3 LYS A 11 81.811 -3.388 -6.742 1.00 0.00 H new ATOM 0 HD2 LYS A 11 80.898 -1.673 -5.124 1.00 0.00 H new ATOM 0 HD3 LYS A 11 79.848 -2.899 -4.442 1.00 0.00 H new ATOM 0 HE2 LYS A 11 82.864 -3.322 -4.625 1.00 0.00 H new ATOM 0 HE3 LYS A 11 82.144 -2.489 -3.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 81.975 -4.588 -2.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 80.550 -4.622 -3.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 81.977 -5.305 -4.011 1.00 0.00 H new ATOM 190 N THR A 12 78.409 -6.155 -6.530 1.00 0.00 N ATOM 191 CA THR A 12 77.691 -6.924 -5.521 1.00 0.00 C ATOM 192 C THR A 12 78.376 -6.794 -4.163 1.00 0.00 C ATOM 193 O THR A 12 79.552 -7.128 -4.019 1.00 0.00 O ATOM 194 CB THR A 12 77.635 -8.399 -5.927 1.00 0.00 C ATOM 195 OG1 THR A 12 77.287 -8.496 -7.301 1.00 0.00 O ATOM 196 CG2 THR A 12 76.587 -9.123 -5.081 1.00 0.00 C ATOM 0 H THR A 12 79.095 -6.689 -7.063 1.00 0.00 H new ATOM 0 HA THR A 12 76.677 -6.531 -5.445 1.00 0.00 H new ATOM 0 HB THR A 12 78.610 -8.859 -5.765 1.00 0.00 H new ATOM 0 HG1 THR A 12 77.252 -9.439 -7.564 1.00 0.00 H new ATOM 0 HG21 THR A 12 76.548 -10.173 -5.371 1.00 0.00 H new ATOM 0 HG22 THR A 12 76.854 -9.047 -4.027 1.00 0.00 H new ATOM 0 HG23 THR A 12 75.611 -8.666 -5.241 1.00 0.00 H new ATOM 204 N ILE A 13 77.638 -6.302 -3.172 1.00 0.00 N ATOM 205 CA ILE A 13 78.198 -6.135 -1.835 1.00 0.00 C ATOM 206 C ILE A 13 77.835 -7.317 -0.943 1.00 0.00 C ATOM 207 O ILE A 13 76.657 -7.616 -0.741 1.00 0.00 O ATOM 208 CB ILE A 13 77.675 -4.847 -1.189 1.00 0.00 C ATOM 209 CG1 ILE A 13 77.006 -3.970 -2.251 1.00 0.00 C ATOM 210 CG2 ILE A 13 78.838 -4.083 -0.548 1.00 0.00 C ATOM 211 CD1 ILE A 13 76.756 -2.573 -1.680 1.00 0.00 C ATOM 0 H ILE A 13 76.664 -6.015 -3.267 1.00 0.00 H new ATOM 0 HA ILE A 13 79.282 -6.079 -1.936 1.00 0.00 H new ATOM 0 HB ILE A 13 76.944 -5.102 -0.422 1.00 0.00 H new ATOM 0 HG12 ILE A 13 77.640 -3.904 -3.135 1.00 0.00 H new ATOM 0 HG13 ILE A 13 76.064 -4.419 -2.567 1.00 0.00 H new ATOM 0 HG21 ILE A 13 78.463 -3.168 -0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 13 79.306 -4.706 0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 13 79.573 -3.831 -1.312 1.00 0.00 H new ATOM 0 HD11 ILE A 13 76.280 -1.950 -2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.105 -2.647 -0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 13 77.705 -2.125 -1.386 1.00 0.00 H new ATOM 223 N THR A 14 78.852 -7.973 -0.399 1.00 0.00 N ATOM 224 CA THR A 14 78.631 -9.109 0.488 1.00 0.00 C ATOM 225 C THR A 14 78.833 -8.672 1.935 1.00 0.00 C ATOM 226 O THR A 14 79.844 -8.054 2.268 1.00 0.00 O ATOM 227 CB THR A 14 79.605 -10.240 0.150 1.00 0.00 C ATOM 228 OG1 THR A 14 79.811 -10.278 -1.255 1.00 0.00 O ATOM 229 CG2 THR A 14 79.022 -11.574 0.621 1.00 0.00 C ATOM 0 H THR A 14 79.833 -7.740 -0.555 1.00 0.00 H new ATOM 0 HA THR A 14 77.611 -9.471 0.355 1.00 0.00 H new ATOM 0 HB THR A 14 80.557 -10.066 0.652 1.00 0.00 H new ATOM 0 HG1 THR A 14 79.054 -10.729 -1.685 1.00 0.00 H new ATOM 0 HG21 THR A 14 79.716 -12.380 0.380 1.00 0.00 H new ATOM 0 HG22 THR A 14 78.864 -11.542 1.699 1.00 0.00 H new ATOM 0 HG23 THR A 14 78.071 -11.753 0.120 1.00 0.00 H new ATOM 237 N LEU A 15 77.864 -8.980 2.788 1.00 0.00 N ATOM 238 CA LEU A 15 77.950 -8.593 4.192 1.00 0.00 C ATOM 239 C LEU A 15 77.450 -9.713 5.095 1.00 0.00 C ATOM 240 O LEU A 15 76.697 -10.581 4.662 1.00 0.00 O ATOM 241 CB LEU A 15 77.106 -7.336 4.461 1.00 0.00 C ATOM 242 CG LEU A 15 77.006 -6.448 3.211 1.00 0.00 C ATOM 243 CD1 LEU A 15 76.000 -5.326 3.473 1.00 0.00 C ATOM 244 CD2 LEU A 15 78.373 -5.831 2.900 1.00 0.00 C ATOM 0 H LEU A 15 77.018 -9.491 2.537 1.00 0.00 H new ATOM 0 HA LEU A 15 78.998 -8.388 4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 15 76.106 -7.629 4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 15 77.549 -6.767 5.279 1.00 0.00 H new ATOM 0 HG LEU A 15 76.681 -7.053 2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 15 75.924 -4.692 2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 15 75.024 -5.757 3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 15 76.334 -4.728 4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 15 78.295 -5.203 2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 15 78.700 -5.226 3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 15 79.098 -6.625 2.720 1.00 0.00 H new ATOM 256 N GLU A 16 77.853 -9.662 6.360 1.00 0.00 N ATOM 257 CA GLU A 16 77.421 -10.656 7.335 1.00 0.00 C ATOM 258 C GLU A 16 76.212 -10.115 8.086 1.00 0.00 C ATOM 259 O GLU A 16 76.240 -8.988 8.583 1.00 0.00 O ATOM 260 CB GLU A 16 78.552 -10.957 8.321 1.00 0.00 C ATOM 261 CG GLU A 16 79.837 -11.257 7.548 1.00 0.00 C ATOM 262 CD GLU A 16 80.841 -10.127 7.751 1.00 0.00 C ATOM 263 OE1 GLU A 16 80.908 -9.260 6.894 1.00 0.00 O ATOM 264 OE2 GLU A 16 81.529 -10.145 8.758 1.00 0.00 O ATOM 0 H GLU A 16 78.476 -8.946 6.733 1.00 0.00 H new ATOM 0 HA GLU A 16 77.156 -11.579 6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 16 78.705 -10.107 8.986 1.00 0.00 H new ATOM 0 HB3 GLU A 16 78.285 -11.808 8.948 1.00 0.00 H new ATOM 0 HG2 GLU A 16 80.264 -12.200 7.888 1.00 0.00 H new ATOM 0 HG3 GLU A 16 79.615 -11.372 6.487 1.00 0.00 H new ATOM 271 N VAL A 17 75.141 -10.898 8.143 1.00 0.00 N ATOM 272 CA VAL A 17 73.931 -10.441 8.812 1.00 0.00 C ATOM 273 C VAL A 17 73.224 -11.569 9.564 1.00 0.00 C ATOM 274 O VAL A 17 73.270 -12.729 9.158 1.00 0.00 O ATOM 275 CB VAL A 17 72.978 -9.853 7.769 1.00 0.00 C ATOM 276 CG1 VAL A 17 73.740 -8.906 6.844 1.00 0.00 C ATOM 277 CG2 VAL A 17 72.366 -10.985 6.940 1.00 0.00 C ATOM 0 H VAL A 17 75.085 -11.834 7.742 1.00 0.00 H new ATOM 0 HA VAL A 17 74.218 -9.687 9.545 1.00 0.00 H new ATOM 0 HB VAL A 17 72.188 -9.302 8.279 1.00 0.00 H new ATOM 0 HG11 VAL A 17 73.056 -8.491 6.104 1.00 0.00 H new ATOM 0 HG12 VAL A 17 74.175 -8.096 7.430 1.00 0.00 H new ATOM 0 HG13 VAL A 17 74.534 -9.454 6.337 1.00 0.00 H new ATOM 0 HG21 VAL A 17 71.687 -10.566 6.197 1.00 0.00 H new ATOM 0 HG22 VAL A 17 73.159 -11.537 6.436 1.00 0.00 H new ATOM 0 HG23 VAL A 17 71.815 -11.659 7.596 1.00 0.00 H new ATOM 287 N GLU A 18 72.551 -11.199 10.654 1.00 0.00 N ATOM 288 CA GLU A 18 71.805 -12.159 11.464 1.00 0.00 C ATOM 289 C GLU A 18 70.305 -11.866 11.353 1.00 0.00 C ATOM 290 O GLU A 18 69.914 -10.716 11.217 1.00 0.00 O ATOM 291 CB GLU A 18 72.240 -12.062 12.926 1.00 0.00 C ATOM 292 CG GLU A 18 73.631 -12.679 13.078 1.00 0.00 C ATOM 293 CD GLU A 18 74.236 -12.302 14.427 1.00 0.00 C ATOM 294 OE1 GLU A 18 73.883 -12.932 15.409 1.00 0.00 O ATOM 295 OE2 GLU A 18 75.068 -11.409 14.450 1.00 0.00 O ATOM 0 H GLU A 18 72.508 -10.239 10.996 1.00 0.00 H new ATOM 0 HA GLU A 18 72.008 -13.166 11.100 1.00 0.00 H new ATOM 0 HB2 GLU A 18 72.254 -11.020 13.245 1.00 0.00 H new ATOM 0 HB3 GLU A 18 71.527 -12.582 13.566 1.00 0.00 H new ATOM 0 HG2 GLU A 18 73.566 -13.764 12.992 1.00 0.00 H new ATOM 0 HG3 GLU A 18 74.279 -12.334 12.272 1.00 0.00 H new ATOM 302 N PRO A 19 69.464 -12.867 11.395 1.00 0.00 N ATOM 303 CA PRO A 19 67.989 -12.696 11.267 1.00 0.00 C ATOM 304 C PRO A 19 67.448 -11.353 11.785 1.00 0.00 C ATOM 305 O PRO A 19 66.572 -10.774 11.159 1.00 0.00 O ATOM 306 CB PRO A 19 67.450 -13.863 12.088 1.00 0.00 C ATOM 307 CG PRO A 19 68.469 -14.953 11.942 1.00 0.00 C ATOM 308 CD PRO A 19 69.806 -14.285 11.583 1.00 0.00 C ATOM 0 HA PRO A 19 67.680 -12.689 10.222 1.00 0.00 H new ATOM 0 HB2 PRO A 19 67.321 -13.582 13.133 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.475 -14.184 11.722 1.00 0.00 H new ATOM 0 HG2 PRO A 19 68.560 -15.521 12.868 1.00 0.00 H new ATOM 0 HG3 PRO A 19 68.170 -15.657 11.165 1.00 0.00 H new ATOM 0 HD2 PRO A 19 70.542 -14.415 12.377 1.00 0.00 H new ATOM 0 HD3 PRO A 19 70.235 -14.714 10.678 1.00 0.00 H new ATOM 316 N SER A 20 67.947 -10.863 12.921 1.00 0.00 N ATOM 317 CA SER A 20 67.436 -9.594 13.463 1.00 0.00 C ATOM 318 C SER A 20 68.039 -8.395 12.727 1.00 0.00 C ATOM 319 O SER A 20 67.922 -7.246 13.155 1.00 0.00 O ATOM 320 CB SER A 20 67.741 -9.494 14.957 1.00 0.00 C ATOM 321 OG SER A 20 69.138 -9.653 15.164 1.00 0.00 O ATOM 0 H SER A 20 68.682 -11.306 13.473 1.00 0.00 H new ATOM 0 HA SER A 20 66.356 -9.578 13.315 1.00 0.00 H new ATOM 0 HB2 SER A 20 67.412 -8.529 15.343 1.00 0.00 H new ATOM 0 HB3 SER A 20 67.191 -10.260 15.504 1.00 0.00 H new ATOM 0 HG SER A 20 69.336 -9.588 16.121 1.00 0.00 H new ATOM 327 N ASP A 21 68.640 -8.701 11.599 1.00 0.00 N ATOM 328 CA ASP A 21 69.249 -7.725 10.702 1.00 0.00 C ATOM 329 C ASP A 21 68.181 -7.107 9.836 1.00 0.00 C ATOM 330 O ASP A 21 68.264 -7.127 8.608 1.00 0.00 O ATOM 331 CB ASP A 21 70.332 -8.330 9.843 1.00 0.00 C ATOM 332 CG ASP A 21 71.618 -8.469 10.648 1.00 0.00 C ATOM 333 OD1 ASP A 21 72.627 -7.942 10.208 1.00 0.00 O ATOM 334 OD2 ASP A 21 71.581 -9.112 11.683 1.00 0.00 O ATOM 0 H ASP A 21 68.725 -9.661 11.264 1.00 0.00 H new ATOM 0 HA ASP A 21 69.723 -6.959 11.316 1.00 0.00 H new ATOM 0 HB2 ASP A 21 70.015 -9.307 9.477 1.00 0.00 H new ATOM 0 HB3 ASP A 21 70.507 -7.703 8.968 1.00 0.00 H new ATOM 339 N THR A 22 67.118 -6.693 10.477 1.00 0.00 N ATOM 340 CA THR A 22 65.952 -6.220 9.755 1.00 0.00 C ATOM 341 C THR A 22 66.266 -4.972 8.958 1.00 0.00 C ATOM 342 O THR A 22 67.100 -4.158 9.338 1.00 0.00 O ATOM 343 CB THR A 22 64.877 -5.825 10.768 1.00 0.00 C ATOM 344 OG1 THR A 22 64.937 -4.421 10.983 1.00 0.00 O ATOM 345 CG2 THR A 22 65.128 -6.545 12.088 1.00 0.00 C ATOM 0 H THR A 22 67.030 -6.672 11.493 1.00 0.00 H new ATOM 0 HA THR A 22 65.627 -7.018 9.087 1.00 0.00 H new ATOM 0 HB THR A 22 63.895 -6.102 10.385 1.00 0.00 H new ATOM 0 HG1 THR A 22 64.249 -4.160 11.631 1.00 0.00 H new ATOM 0 HG21 THR A 22 64.361 -6.262 12.808 1.00 0.00 H new ATOM 0 HG22 THR A 22 65.095 -7.622 11.927 1.00 0.00 H new ATOM 0 HG23 THR A 22 66.109 -6.266 12.474 1.00 0.00 H new ATOM 353 N ILE A 23 65.590 -4.887 7.812 1.00 0.00 N ATOM 354 CA ILE A 23 65.755 -3.796 6.861 1.00 0.00 C ATOM 355 C ILE A 23 66.262 -2.527 7.540 1.00 0.00 C ATOM 356 O ILE A 23 67.110 -1.821 6.997 1.00 0.00 O ATOM 357 CB ILE A 23 64.413 -3.528 6.184 1.00 0.00 C ATOM 358 CG1 ILE A 23 63.665 -4.855 5.954 1.00 0.00 C ATOM 359 CG2 ILE A 23 64.626 -2.818 4.848 1.00 0.00 C ATOM 360 CD1 ILE A 23 64.575 -5.892 5.272 1.00 0.00 C ATOM 0 H ILE A 23 64.905 -5.584 7.518 1.00 0.00 H new ATOM 0 HA ILE A 23 66.501 -4.088 6.122 1.00 0.00 H new ATOM 0 HB ILE A 23 63.817 -2.887 6.834 1.00 0.00 H new ATOM 0 HG12 ILE A 23 63.312 -5.247 6.908 1.00 0.00 H new ATOM 0 HG13 ILE A 23 62.784 -4.678 5.337 1.00 0.00 H new ATOM 0 HG21 ILE A 23 63.661 -2.633 4.376 1.00 0.00 H new ATOM 0 HG22 ILE A 23 65.135 -1.869 5.017 1.00 0.00 H new ATOM 0 HG23 ILE A 23 65.234 -3.445 4.196 1.00 0.00 H new ATOM 0 HD11 ILE A 23 64.021 -6.819 5.122 1.00 0.00 H new ATOM 0 HD12 ILE A 23 64.906 -5.507 4.308 1.00 0.00 H new ATOM 0 HD13 ILE A 23 65.443 -6.086 5.903 1.00 0.00 H new ATOM 372 N GLU A 24 65.749 -2.250 8.732 1.00 0.00 N ATOM 373 CA GLU A 24 66.175 -1.070 9.474 1.00 0.00 C ATOM 374 C GLU A 24 67.648 -1.201 9.860 1.00 0.00 C ATOM 375 O GLU A 24 68.456 -0.318 9.576 1.00 0.00 O ATOM 376 CB GLU A 24 65.311 -0.909 10.728 1.00 0.00 C ATOM 377 CG GLU A 24 65.694 0.384 11.449 1.00 0.00 C ATOM 378 CD GLU A 24 64.802 0.583 12.669 1.00 0.00 C ATOM 379 OE1 GLU A 24 63.604 0.727 12.486 1.00 0.00 O ATOM 380 OE2 GLU A 24 65.329 0.590 13.770 1.00 0.00 O ATOM 0 H GLU A 24 65.045 -2.819 9.202 1.00 0.00 H new ATOM 0 HA GLU A 24 66.055 -0.187 8.846 1.00 0.00 H new ATOM 0 HB2 GLU A 24 64.256 -0.887 10.455 1.00 0.00 H new ATOM 0 HB3 GLU A 24 65.451 -1.763 11.391 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.739 0.344 11.755 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.593 1.232 10.772 1.00 0.00 H new ATOM 387 N ASN A 25 67.988 -2.321 10.492 1.00 0.00 N ATOM 388 CA ASN A 25 69.366 -2.582 10.897 1.00 0.00 C ATOM 389 C ASN A 25 70.237 -2.859 9.675 1.00 0.00 C ATOM 390 O ASN A 25 71.356 -2.359 9.572 1.00 0.00 O ATOM 391 CB ASN A 25 69.410 -3.797 11.831 1.00 0.00 C ATOM 392 CG ASN A 25 70.126 -3.430 13.127 1.00 0.00 C ATOM 393 OD1 ASN A 25 71.194 -2.819 13.096 1.00 0.00 O ATOM 394 ND2 ASN A 25 69.595 -3.763 14.272 1.00 0.00 N ATOM 0 H ASN A 25 67.329 -3.061 10.734 1.00 0.00 H new ATOM 0 HA ASN A 25 69.747 -1.702 11.416 1.00 0.00 H new ATOM 0 HB2 ASN A 25 68.397 -4.136 12.048 1.00 0.00 H new ATOM 0 HB3 ASN A 25 69.925 -4.624 11.342 1.00 0.00 H new ATOM 0 HD21 ASN A 25 70.065 -3.517 15.143 1.00 0.00 H new ATOM 0 HD22 ASN A 25 68.710 -4.269 14.296 1.00 0.00 H new ATOM 401 N ALA A 26 69.712 -3.664 8.754 1.00 0.00 N ATOM 402 CA ALA A 26 70.447 -4.011 7.543 1.00 0.00 C ATOM 403 C ALA A 26 70.810 -2.757 6.753 1.00 0.00 C ATOM 404 O ALA A 26 71.912 -2.649 6.214 1.00 0.00 O ATOM 405 CB ALA A 26 69.601 -4.938 6.669 1.00 0.00 C ATOM 0 H ALA A 26 68.786 -4.085 8.823 1.00 0.00 H new ATOM 0 HA ALA A 26 71.366 -4.520 7.833 1.00 0.00 H new ATOM 0 HB1 ALA A 26 70.156 -5.193 5.766 1.00 0.00 H new ATOM 0 HB2 ALA A 26 69.369 -5.848 7.222 1.00 0.00 H new ATOM 0 HB3 ALA A 26 68.674 -4.434 6.395 1.00 0.00 H new ATOM 411 N LYS A 27 69.880 -1.812 6.690 1.00 0.00 N ATOM 412 CA LYS A 27 70.118 -0.570 5.964 1.00 0.00 C ATOM 413 C LYS A 27 71.305 0.176 6.562 1.00 0.00 C ATOM 414 O LYS A 27 72.042 0.863 5.856 1.00 0.00 O ATOM 415 CB LYS A 27 68.870 0.316 6.024 1.00 0.00 C ATOM 416 CG LYS A 27 67.923 -0.057 4.882 1.00 0.00 C ATOM 417 CD LYS A 27 66.540 0.543 5.148 1.00 0.00 C ATOM 418 CE LYS A 27 65.758 0.629 3.836 1.00 0.00 C ATOM 419 NZ LYS A 27 65.856 -0.669 3.112 1.00 0.00 N ATOM 0 H LYS A 27 68.962 -1.880 7.129 1.00 0.00 H new ATOM 0 HA LYS A 27 70.341 -0.812 4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 27 68.367 0.190 6.983 1.00 0.00 H new ATOM 0 HB3 LYS A 27 69.153 1.366 5.948 1.00 0.00 H new ATOM 0 HG2 LYS A 27 68.315 0.313 3.935 1.00 0.00 H new ATOM 0 HG3 LYS A 27 67.850 -1.141 4.795 1.00 0.00 H new ATOM 0 HD2 LYS A 27 65.998 -0.071 5.867 1.00 0.00 H new ATOM 0 HD3 LYS A 27 66.641 1.535 5.589 1.00 0.00 H new ATOM 0 HE2 LYS A 27 64.714 0.867 4.038 1.00 0.00 H new ATOM 0 HE3 LYS A 27 66.154 1.434 3.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 66.514 -0.572 2.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 66.206 -1.403 3.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 64.917 -0.940 2.757 1.00 0.00 H new ATOM 433 N ALA A 28 71.483 0.033 7.873 1.00 0.00 N ATOM 434 CA ALA A 28 72.584 0.695 8.562 1.00 0.00 C ATOM 435 C ALA A 28 73.923 0.121 8.108 1.00 0.00 C ATOM 436 O ALA A 28 74.910 0.846 7.982 1.00 0.00 O ATOM 437 CB ALA A 28 72.435 0.514 10.074 1.00 0.00 C ATOM 0 H ALA A 28 70.883 -0.531 8.475 1.00 0.00 H new ATOM 0 HA ALA A 28 72.556 1.757 8.318 1.00 0.00 H new ATOM 0 HB1 ALA A 28 73.261 1.011 10.583 1.00 0.00 H new ATOM 0 HB2 ALA A 28 71.491 0.951 10.401 1.00 0.00 H new ATOM 0 HB3 ALA A 28 72.446 -0.549 10.316 1.00 0.00 H new ATOM 443 N LYS A 29 73.951 -1.186 7.864 1.00 0.00 N ATOM 444 CA LYS A 29 75.176 -1.847 7.427 1.00 0.00 C ATOM 445 C LYS A 29 75.631 -1.300 6.077 1.00 0.00 C ATOM 446 O LYS A 29 76.817 -1.045 5.869 1.00 0.00 O ATOM 447 CB LYS A 29 74.944 -3.355 7.315 1.00 0.00 C ATOM 448 CG LYS A 29 75.345 -4.032 8.627 1.00 0.00 C ATOM 449 CD LYS A 29 75.055 -5.531 8.539 1.00 0.00 C ATOM 450 CE LYS A 29 75.425 -6.203 9.862 1.00 0.00 C ATOM 451 NZ LYS A 29 76.908 -6.229 10.007 1.00 0.00 N ATOM 0 H LYS A 29 73.146 -1.804 7.961 1.00 0.00 H new ATOM 0 HA LYS A 29 75.954 -1.652 8.165 1.00 0.00 H new ATOM 0 HB2 LYS A 29 73.896 -3.557 7.095 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.527 -3.763 6.490 1.00 0.00 H new ATOM 0 HG2 LYS A 29 76.404 -3.867 8.824 1.00 0.00 H new ATOM 0 HG3 LYS A 29 74.794 -3.593 9.458 1.00 0.00 H new ATOM 0 HD2 LYS A 29 74.000 -5.695 8.318 1.00 0.00 H new ATOM 0 HD3 LYS A 29 75.624 -5.975 7.722 1.00 0.00 H new ATOM 0 HE2 LYS A 29 74.977 -5.662 10.695 1.00 0.00 H new ATOM 0 HE3 LYS A 29 75.028 -7.218 9.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 77.172 -6.896 10.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 77.339 -6.532 9.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 77.250 -5.278 10.252 1.00 0.00 H new ATOM 465 N ILE A 30 74.682 -1.119 5.165 1.00 0.00 N ATOM 466 CA ILE A 30 75.000 -0.599 3.840 1.00 0.00 C ATOM 467 C ILE A 30 75.444 0.856 3.932 1.00 0.00 C ATOM 468 O ILE A 30 76.340 1.290 3.211 1.00 0.00 O ATOM 469 CB ILE A 30 73.777 -0.715 2.929 1.00 0.00 C ATOM 470 CG1 ILE A 30 73.749 -2.112 2.308 1.00 0.00 C ATOM 471 CG2 ILE A 30 73.852 0.334 1.815 1.00 0.00 C ATOM 472 CD1 ILE A 30 72.342 -2.413 1.802 1.00 0.00 C ATOM 0 H ILE A 30 73.694 -1.323 5.317 1.00 0.00 H new ATOM 0 HA ILE A 30 75.817 -1.186 3.420 1.00 0.00 H new ATOM 0 HB ILE A 30 72.873 -0.548 3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 30 74.463 -2.171 1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 30 74.049 -2.856 3.046 1.00 0.00 H new ATOM 0 HG21 ILE A 30 72.977 0.244 1.171 1.00 0.00 H new ATOM 0 HG22 ILE A 30 73.878 1.331 2.255 1.00 0.00 H new ATOM 0 HG23 ILE A 30 74.755 0.174 1.225 1.00 0.00 H new ATOM 0 HD11 ILE A 30 72.320 -3.409 1.359 1.00 0.00 H new ATOM 0 HD12 ILE A 30 71.639 -2.371 2.634 1.00 0.00 H new ATOM 0 HD13 ILE A 30 72.060 -1.675 1.051 1.00 0.00 H new ATOM 484 N GLN A 31 74.807 1.605 4.827 1.00 0.00 N ATOM 485 CA GLN A 31 75.142 3.012 5.009 1.00 0.00 C ATOM 486 C GLN A 31 76.616 3.171 5.365 1.00 0.00 C ATOM 487 O GLN A 31 77.310 4.016 4.808 1.00 0.00 O ATOM 488 CB GLN A 31 74.278 3.613 6.119 1.00 0.00 C ATOM 489 CG GLN A 31 74.920 4.907 6.624 1.00 0.00 C ATOM 490 CD GLN A 31 73.873 5.770 7.321 1.00 0.00 C ATOM 491 OE1 GLN A 31 73.036 5.253 8.062 1.00 0.00 O ATOM 492 NE2 GLN A 31 73.869 7.059 7.127 1.00 0.00 N ATOM 0 H GLN A 31 74.061 1.264 5.433 1.00 0.00 H new ATOM 0 HA GLN A 31 74.949 3.537 4.073 1.00 0.00 H new ATOM 0 HB2 GLN A 31 73.275 3.815 5.744 1.00 0.00 H new ATOM 0 HB3 GLN A 31 74.175 2.902 6.939 1.00 0.00 H new ATOM 0 HG2 GLN A 31 75.731 4.675 7.315 1.00 0.00 H new ATOM 0 HG3 GLN A 31 75.359 5.455 5.790 1.00 0.00 H new ATOM 0 HE21 GLN A 31 74.563 7.484 6.513 1.00 0.00 H new ATOM 0 HE22 GLN A 31 73.172 7.642 7.589 1.00 0.00 H new ATOM 501 N ASP A 32 77.087 2.354 6.299 1.00 0.00 N ATOM 502 CA ASP A 32 78.481 2.418 6.721 1.00 0.00 C ATOM 503 C ASP A 32 79.415 2.010 5.585 1.00 0.00 C ATOM 504 O ASP A 32 80.618 2.264 5.638 1.00 0.00 O ATOM 505 CB ASP A 32 78.705 1.497 7.923 1.00 0.00 C ATOM 506 CG ASP A 32 80.157 1.036 7.963 1.00 0.00 C ATOM 507 OD1 ASP A 32 80.992 1.811 8.398 1.00 0.00 O ATOM 508 OD2 ASP A 32 80.414 -0.084 7.555 1.00 0.00 O ATOM 0 H ASP A 32 76.530 1.645 6.775 1.00 0.00 H new ATOM 0 HA ASP A 32 78.704 3.447 7.001 1.00 0.00 H new ATOM 0 HB2 ASP A 32 78.456 2.022 8.845 1.00 0.00 H new ATOM 0 HB3 ASP A 32 78.042 0.634 7.859 1.00 0.00 H new ATOM 513 N LYS A 33 78.859 1.360 4.567 1.00 0.00 N ATOM 514 CA LYS A 33 79.664 0.906 3.436 1.00 0.00 C ATOM 515 C LYS A 33 79.622 1.904 2.277 1.00 0.00 C ATOM 516 O LYS A 33 80.646 2.172 1.650 1.00 0.00 O ATOM 517 CB LYS A 33 79.153 -0.451 2.948 1.00 0.00 C ATOM 518 CG LYS A 33 79.467 -1.524 3.993 1.00 0.00 C ATOM 519 CD LYS A 33 80.567 -2.444 3.463 1.00 0.00 C ATOM 520 CE LYS A 33 80.906 -3.497 4.521 1.00 0.00 C ATOM 521 NZ LYS A 33 81.929 -2.951 5.457 1.00 0.00 N ATOM 0 H LYS A 33 77.866 1.137 4.501 1.00 0.00 H new ATOM 0 HA LYS A 33 80.696 0.820 3.777 1.00 0.00 H new ATOM 0 HB2 LYS A 33 78.078 -0.404 2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 33 79.621 -0.707 1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 33 79.786 -1.057 4.925 1.00 0.00 H new ATOM 0 HG3 LYS A 33 78.571 -2.102 4.217 1.00 0.00 H new ATOM 0 HD2 LYS A 33 80.238 -2.929 2.544 1.00 0.00 H new ATOM 0 HD3 LYS A 33 81.455 -1.862 3.216 1.00 0.00 H new ATOM 0 HE2 LYS A 33 80.008 -3.777 5.071 1.00 0.00 H new ATOM 0 HE3 LYS A 33 81.282 -4.401 4.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 82.159 -3.667 6.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 82.789 -2.704 4.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 81.554 -2.100 5.923 1.00 0.00 H new ATOM 535 N GLU A 34 78.437 2.431 1.985 1.00 0.00 N ATOM 536 CA GLU A 34 78.286 3.377 0.880 1.00 0.00 C ATOM 537 C GLU A 34 78.164 4.815 1.381 1.00 0.00 C ATOM 538 O GLU A 34 78.458 5.759 0.648 1.00 0.00 O ATOM 539 CB GLU A 34 77.047 3.019 0.058 1.00 0.00 C ATOM 540 CG GLU A 34 77.212 1.617 -0.529 1.00 0.00 C ATOM 541 CD GLU A 34 77.484 1.706 -2.028 1.00 0.00 C ATOM 542 OE1 GLU A 34 78.272 2.554 -2.416 1.00 0.00 O ATOM 543 OE2 GLU A 34 76.904 0.925 -2.762 1.00 0.00 O ATOM 0 H GLU A 34 77.575 2.224 2.490 1.00 0.00 H new ATOM 0 HA GLU A 34 79.180 3.308 0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 34 76.157 3.059 0.686 1.00 0.00 H new ATOM 0 HB3 GLU A 34 76.906 3.746 -0.742 1.00 0.00 H new ATOM 0 HG2 GLU A 34 78.033 1.100 -0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 34 76.311 1.030 -0.349 1.00 0.00 H new ATOM 550 N GLY A 35 77.725 4.979 2.623 1.00 0.00 N ATOM 551 CA GLY A 35 77.564 6.316 3.188 1.00 0.00 C ATOM 552 C GLY A 35 76.218 6.908 2.788 1.00 0.00 C ATOM 553 O GLY A 35 76.057 8.128 2.728 1.00 0.00 O ATOM 0 H GLY A 35 77.477 4.215 3.252 1.00 0.00 H new ATOM 0 HA2 GLY A 35 77.638 6.269 4.274 1.00 0.00 H new ATOM 0 HA3 GLY A 35 78.370 6.963 2.841 1.00 0.00 H new ATOM 557 N ILE A 36 75.257 6.034 2.509 1.00 0.00 N ATOM 558 CA ILE A 36 73.926 6.474 2.107 1.00 0.00 C ATOM 559 C ILE A 36 72.958 6.395 3.298 1.00 0.00 C ATOM 560 O ILE A 36 72.929 5.381 3.996 1.00 0.00 O ATOM 561 CB ILE A 36 73.414 5.578 0.975 1.00 0.00 C ATOM 562 CG1 ILE A 36 74.455 5.528 -0.147 1.00 0.00 C ATOM 563 CG2 ILE A 36 72.102 6.137 0.420 1.00 0.00 C ATOM 564 CD1 ILE A 36 74.008 4.527 -1.215 1.00 0.00 C ATOM 0 H ILE A 36 75.374 5.022 2.553 1.00 0.00 H new ATOM 0 HA ILE A 36 73.983 7.507 1.764 1.00 0.00 H new ATOM 0 HB ILE A 36 73.243 4.575 1.365 1.00 0.00 H new ATOM 0 HG12 ILE A 36 74.577 6.517 -0.589 1.00 0.00 H new ATOM 0 HG13 ILE A 36 75.425 5.237 0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 36 71.744 5.495 -0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 36 71.357 6.173 1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 36 72.269 7.143 0.034 1.00 0.00 H new ATOM 0 HD11 ILE A 36 74.749 4.492 -2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 36 73.909 3.538 -0.768 1.00 0.00 H new ATOM 0 HD13 ILE A 36 73.047 4.838 -1.625 1.00 0.00 H new ATOM 576 N PRO A 37 72.162 7.417 3.554 1.00 0.00 N ATOM 577 CA PRO A 37 71.195 7.396 4.691 1.00 0.00 C ATOM 578 C PRO A 37 69.982 6.501 4.388 1.00 0.00 C ATOM 579 O PRO A 37 69.470 6.524 3.271 1.00 0.00 O ATOM 580 CB PRO A 37 70.767 8.858 4.825 1.00 0.00 C ATOM 581 CG PRO A 37 70.930 9.440 3.463 1.00 0.00 C ATOM 582 CD PRO A 37 72.090 8.690 2.807 1.00 0.00 C ATOM 0 HA PRO A 37 71.635 6.990 5.602 1.00 0.00 H new ATOM 0 HB2 PRO A 37 69.735 8.936 5.166 1.00 0.00 H new ATOM 0 HB3 PRO A 37 71.384 9.384 5.554 1.00 0.00 H new ATOM 0 HG2 PRO A 37 70.016 9.326 2.881 1.00 0.00 H new ATOM 0 HG3 PRO A 37 71.141 10.508 3.520 1.00 0.00 H new ATOM 0 HD2 PRO A 37 71.906 8.520 1.746 1.00 0.00 H new ATOM 0 HD3 PRO A 37 73.022 9.251 2.883 1.00 0.00 H new ATOM 590 N PRO A 38 69.506 5.724 5.339 1.00 0.00 N ATOM 591 CA PRO A 38 68.330 4.834 5.118 1.00 0.00 C ATOM 592 C PRO A 38 67.216 5.520 4.328 1.00 0.00 C ATOM 593 O PRO A 38 66.327 4.858 3.792 1.00 0.00 O ATOM 594 CB PRO A 38 67.856 4.500 6.533 1.00 0.00 C ATOM 595 CG PRO A 38 69.061 4.628 7.406 1.00 0.00 C ATOM 596 CD PRO A 38 70.025 5.597 6.715 1.00 0.00 C ATOM 0 HA PRO A 38 68.595 3.957 4.528 1.00 0.00 H new ATOM 0 HB2 PRO A 38 67.067 5.181 6.852 1.00 0.00 H new ATOM 0 HB3 PRO A 38 67.444 3.492 6.580 1.00 0.00 H new ATOM 0 HG2 PRO A 38 68.783 5.001 8.392 1.00 0.00 H new ATOM 0 HG3 PRO A 38 69.533 3.657 7.554 1.00 0.00 H new ATOM 0 HD2 PRO A 38 70.046 6.562 7.221 1.00 0.00 H new ATOM 0 HD3 PRO A 38 71.045 5.212 6.720 1.00 0.00 H new ATOM 604 N ASP A 39 67.260 6.847 4.272 1.00 0.00 N ATOM 605 CA ASP A 39 66.239 7.607 3.557 1.00 0.00 C ATOM 606 C ASP A 39 66.427 7.504 2.046 1.00 0.00 C ATOM 607 O ASP A 39 65.460 7.569 1.287 1.00 0.00 O ATOM 608 CB ASP A 39 66.294 9.078 3.978 1.00 0.00 C ATOM 609 CG ASP A 39 64.892 9.677 3.956 1.00 0.00 C ATOM 610 OD1 ASP A 39 64.211 9.507 2.958 1.00 0.00 O ATOM 611 OD2 ASP A 39 64.518 10.295 4.940 1.00 0.00 O ATOM 0 H ASP A 39 67.985 7.416 4.709 1.00 0.00 H new ATOM 0 HA ASP A 39 65.267 7.185 3.812 1.00 0.00 H new ATOM 0 HB2 ASP A 39 66.720 9.163 4.978 1.00 0.00 H new ATOM 0 HB3 ASP A 39 66.947 9.634 3.305 1.00 0.00 H new ATOM 616 N GLN A 40 67.674 7.347 1.614 1.00 0.00 N ATOM 617 CA GLN A 40 67.972 7.241 0.189 1.00 0.00 C ATOM 618 C GLN A 40 68.227 5.789 -0.199 1.00 0.00 C ATOM 619 O GLN A 40 68.679 5.503 -1.308 1.00 0.00 O ATOM 620 CB GLN A 40 69.201 8.087 -0.152 1.00 0.00 C ATOM 621 CG GLN A 40 68.753 9.398 -0.802 1.00 0.00 C ATOM 622 CD GLN A 40 69.939 10.348 -0.932 1.00 0.00 C ATOM 623 OE1 GLN A 40 70.338 10.694 -2.043 1.00 0.00 O ATOM 624 NE2 GLN A 40 70.527 10.794 0.144 1.00 0.00 N ATOM 0 H GLN A 40 68.489 7.291 2.224 1.00 0.00 H new ATOM 0 HA GLN A 40 67.112 7.608 -0.371 1.00 0.00 H new ATOM 0 HB2 GLN A 40 69.775 8.294 0.751 1.00 0.00 H new ATOM 0 HB3 GLN A 40 69.857 7.539 -0.828 1.00 0.00 H new ATOM 0 HG2 GLN A 40 68.327 9.199 -1.785 1.00 0.00 H new ATOM 0 HG3 GLN A 40 67.969 9.861 -0.203 1.00 0.00 H new ATOM 0 HE21 GLN A 40 70.194 10.505 1.064 1.00 0.00 H new ATOM 0 HE22 GLN A 40 71.320 11.431 0.065 1.00 0.00 H new ATOM 633 N GLN A 41 67.943 4.879 0.725 1.00 0.00 N ATOM 634 CA GLN A 41 68.149 3.457 0.477 1.00 0.00 C ATOM 635 C GLN A 41 66.818 2.751 0.236 1.00 0.00 C ATOM 636 O GLN A 41 65.868 2.920 1.001 1.00 0.00 O ATOM 637 CB GLN A 41 68.853 2.821 1.674 1.00 0.00 C ATOM 638 CG GLN A 41 70.178 3.542 1.928 1.00 0.00 C ATOM 639 CD GLN A 41 70.812 3.027 3.215 1.00 0.00 C ATOM 640 OE1 GLN A 41 71.058 3.799 4.141 1.00 0.00 O ATOM 641 NE2 GLN A 41 71.090 1.757 3.330 1.00 0.00 N ATOM 0 H GLN A 41 67.571 5.099 1.649 1.00 0.00 H new ATOM 0 HA GLN A 41 68.768 3.349 -0.414 1.00 0.00 H new ATOM 0 HB2 GLN A 41 68.218 2.882 2.558 1.00 0.00 H new ATOM 0 HB3 GLN A 41 69.033 1.763 1.484 1.00 0.00 H new ATOM 0 HG2 GLN A 41 70.856 3.382 1.089 1.00 0.00 H new ATOM 0 HG3 GLN A 41 70.009 4.616 2.000 1.00 0.00 H new ATOM 0 HE21 GLN A 41 70.885 1.118 2.561 1.00 0.00 H new ATOM 0 HE22 GLN A 41 71.512 1.403 4.189 1.00 0.00 H new ATOM 650 N ARG A 42 66.764 1.954 -0.826 1.00 0.00 N ATOM 651 CA ARG A 42 65.551 1.216 -1.161 1.00 0.00 C ATOM 652 C ARG A 42 65.885 -0.244 -1.446 1.00 0.00 C ATOM 653 O ARG A 42 66.499 -0.562 -2.464 1.00 0.00 O ATOM 654 CB ARG A 42 64.882 1.834 -2.387 1.00 0.00 C ATOM 655 CG ARG A 42 63.493 2.341 -2.001 1.00 0.00 C ATOM 656 CD ARG A 42 62.801 2.921 -3.232 1.00 0.00 C ATOM 657 NE ARG A 42 61.915 1.928 -3.829 1.00 0.00 N ATOM 658 CZ ARG A 42 60.985 2.277 -4.712 1.00 0.00 C ATOM 659 NH1 ARG A 42 60.206 1.369 -5.233 1.00 0.00 N ATOM 660 NH2 ARG A 42 60.850 3.529 -5.056 1.00 0.00 N ATOM 0 H ARG A 42 67.543 1.803 -1.467 1.00 0.00 H new ATOM 0 HA ARG A 42 64.868 1.269 -0.313 1.00 0.00 H new ATOM 0 HB2 ARG A 42 65.488 2.655 -2.771 1.00 0.00 H new ATOM 0 HB3 ARG A 42 64.804 1.095 -3.184 1.00 0.00 H new ATOM 0 HG2 ARG A 42 62.899 1.526 -1.587 1.00 0.00 H new ATOM 0 HG3 ARG A 42 63.575 3.102 -1.225 1.00 0.00 H new ATOM 0 HD2 ARG A 42 62.230 3.807 -2.953 1.00 0.00 H new ATOM 0 HD3 ARG A 42 63.547 3.238 -3.961 1.00 0.00 H new ATOM 0 HE ARG A 42 62.011 0.948 -3.564 1.00 0.00 H new ATOM 0 HH11 ARG A 42 60.311 0.391 -4.963 1.00 0.00 H new ATOM 0 HH12 ARG A 42 59.492 1.637 -5.911 1.00 0.00 H new ATOM 0 HH21 ARG A 42 61.458 4.239 -4.647 1.00 0.00 H new ATOM 0 HH22 ARG A 42 60.137 3.798 -5.734 1.00 0.00 H new ATOM 674 N LEU A 43 65.485 -1.130 -0.539 1.00 0.00 N ATOM 675 CA LEU A 43 65.760 -2.552 -0.710 1.00 0.00 C ATOM 676 C LEU A 43 64.573 -3.256 -1.356 1.00 0.00 C ATOM 677 O LEU A 43 63.433 -3.118 -0.909 1.00 0.00 O ATOM 678 CB LEU A 43 66.065 -3.193 0.646 1.00 0.00 C ATOM 679 CG LEU A 43 67.561 -3.064 0.957 1.00 0.00 C ATOM 680 CD1 LEU A 43 67.813 -3.461 2.414 1.00 0.00 C ATOM 681 CD2 LEU A 43 68.378 -3.983 0.038 1.00 0.00 C ATOM 0 H LEU A 43 64.975 -0.892 0.312 1.00 0.00 H new ATOM 0 HA LEU A 43 66.626 -2.658 -1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 43 65.479 -2.709 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 43 65.776 -4.244 0.635 1.00 0.00 H new ATOM 0 HG LEU A 43 67.867 -2.031 0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 43 68.876 -3.370 2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 43 67.246 -2.804 3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 43 67.496 -4.492 2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 43 69.438 -3.881 0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 43 68.071 -5.018 0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 43 68.206 -3.704 -1.002 1.00 0.00 H new ATOM 693 N ILE A 44 64.854 -4.005 -2.417 1.00 0.00 N ATOM 694 CA ILE A 44 63.812 -4.728 -3.135 1.00 0.00 C ATOM 695 C ILE A 44 64.258 -6.163 -3.413 1.00 0.00 C ATOM 696 O ILE A 44 65.399 -6.403 -3.805 1.00 0.00 O ATOM 697 CB ILE A 44 63.507 -4.003 -4.445 1.00 0.00 C ATOM 698 CG1 ILE A 44 63.210 -2.534 -4.111 1.00 0.00 C ATOM 699 CG2 ILE A 44 62.299 -4.655 -5.137 1.00 0.00 C ATOM 700 CD1 ILE A 44 62.196 -1.955 -5.090 1.00 0.00 C ATOM 0 H ILE A 44 65.792 -4.127 -2.798 1.00 0.00 H new ATOM 0 HA ILE A 44 62.910 -4.763 -2.524 1.00 0.00 H new ATOM 0 HB ILE A 44 64.356 -4.066 -5.125 1.00 0.00 H new ATOM 0 HG12 ILE A 44 62.826 -2.457 -3.094 1.00 0.00 H new ATOM 0 HG13 ILE A 44 64.132 -1.954 -4.148 1.00 0.00 H new ATOM 0 HG21 ILE A 44 62.088 -4.132 -6.070 1.00 0.00 H new ATOM 0 HG22 ILE A 44 62.522 -5.701 -5.349 1.00 0.00 H new ATOM 0 HG23 ILE A 44 61.429 -4.595 -4.483 1.00 0.00 H new ATOM 0 HD11 ILE A 44 61.999 -0.913 -4.836 1.00 0.00 H new ATOM 0 HD12 ILE A 44 62.594 -2.013 -6.103 1.00 0.00 H new ATOM 0 HD13 ILE A 44 61.268 -2.524 -5.032 1.00 0.00 H new ATOM 712 N PHE A 45 63.349 -7.111 -3.202 1.00 0.00 N ATOM 713 CA PHE A 45 63.658 -8.519 -3.432 1.00 0.00 C ATOM 714 C PHE A 45 62.513 -9.207 -4.171 1.00 0.00 C ATOM 715 O PHE A 45 61.342 -8.940 -3.904 1.00 0.00 O ATOM 716 CB PHE A 45 63.900 -9.224 -2.096 1.00 0.00 C ATOM 717 CG PHE A 45 64.320 -10.652 -2.344 1.00 0.00 C ATOM 718 CD1 PHE A 45 65.618 -10.932 -2.786 1.00 0.00 C ATOM 719 CD2 PHE A 45 63.412 -11.696 -2.131 1.00 0.00 C ATOM 720 CE1 PHE A 45 66.009 -12.258 -3.016 1.00 0.00 C ATOM 721 CE2 PHE A 45 63.802 -13.022 -2.361 1.00 0.00 C ATOM 722 CZ PHE A 45 65.101 -13.301 -2.803 1.00 0.00 C ATOM 0 H PHE A 45 62.400 -6.932 -2.875 1.00 0.00 H new ATOM 0 HA PHE A 45 64.558 -8.578 -4.044 1.00 0.00 H new ATOM 0 HB2 PHE A 45 64.672 -8.700 -1.532 1.00 0.00 H new ATOM 0 HB3 PHE A 45 62.993 -9.201 -1.492 1.00 0.00 H new ATOM 0 HD1 PHE A 45 66.318 -10.126 -2.950 1.00 0.00 H new ATOM 0 HD2 PHE A 45 62.411 -11.479 -1.789 1.00 0.00 H new ATOM 0 HE1 PHE A 45 67.010 -12.475 -3.357 1.00 0.00 H new ATOM 0 HE2 PHE A 45 63.102 -13.828 -2.198 1.00 0.00 H new ATOM 0 HZ PHE A 45 65.403 -14.323 -2.980 1.00 0.00 H new ATOM 732 N ALA A 46 62.863 -10.090 -5.100 1.00 0.00 N ATOM 733 CA ALA A 46 61.857 -10.811 -5.872 1.00 0.00 C ATOM 734 C ALA A 46 60.913 -9.836 -6.569 1.00 0.00 C ATOM 735 O ALA A 46 59.814 -10.208 -6.979 1.00 0.00 O ATOM 736 CB ALA A 46 61.053 -11.732 -4.951 1.00 0.00 C ATOM 0 H ALA A 46 63.828 -10.323 -5.336 1.00 0.00 H new ATOM 0 HA ALA A 46 62.367 -11.408 -6.628 1.00 0.00 H new ATOM 0 HB1 ALA A 46 60.304 -12.267 -5.535 1.00 0.00 H new ATOM 0 HB2 ALA A 46 61.724 -12.449 -4.478 1.00 0.00 H new ATOM 0 HB3 ALA A 46 60.558 -11.137 -4.184 1.00 0.00 H new ATOM 742 N GLY A 47 61.350 -8.587 -6.701 1.00 0.00 N ATOM 743 CA GLY A 47 60.535 -7.569 -7.352 1.00 0.00 C ATOM 744 C GLY A 47 59.648 -6.848 -6.341 1.00 0.00 C ATOM 745 O GLY A 47 58.975 -5.875 -6.675 1.00 0.00 O ATOM 0 H GLY A 47 62.256 -8.258 -6.369 1.00 0.00 H new ATOM 0 HA2 GLY A 47 61.180 -6.848 -7.854 1.00 0.00 H new ATOM 0 HA3 GLY A 47 59.915 -8.031 -8.120 1.00 0.00 H new ATOM 749 N LYS A 48 59.653 -7.336 -5.105 1.00 0.00 N ATOM 750 CA LYS A 48 58.844 -6.730 -4.053 1.00 0.00 C ATOM 751 C LYS A 48 59.691 -5.797 -3.193 1.00 0.00 C ATOM 752 O LYS A 48 60.858 -6.077 -2.921 1.00 0.00 O ATOM 753 CB LYS A 48 58.228 -7.820 -3.174 1.00 0.00 C ATOM 754 CG LYS A 48 57.709 -8.957 -4.058 1.00 0.00 C ATOM 755 CD LYS A 48 56.758 -9.840 -3.247 1.00 0.00 C ATOM 756 CE LYS A 48 56.510 -11.149 -4.001 1.00 0.00 C ATOM 757 NZ LYS A 48 55.364 -11.870 -3.380 1.00 0.00 N ATOM 0 H LYS A 48 60.203 -8.142 -4.808 1.00 0.00 H new ATOM 0 HA LYS A 48 58.049 -6.150 -4.522 1.00 0.00 H new ATOM 0 HB2 LYS A 48 58.971 -8.200 -2.473 1.00 0.00 H new ATOM 0 HB3 LYS A 48 57.413 -7.406 -2.580 1.00 0.00 H new ATOM 0 HG2 LYS A 48 57.192 -8.550 -4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 48 58.543 -9.550 -4.433 1.00 0.00 H new ATOM 0 HD2 LYS A 48 57.185 -10.048 -2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 48 55.815 -9.320 -3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 48 56.298 -10.942 -5.050 1.00 0.00 H new ATOM 0 HE3 LYS A 48 57.404 -11.772 -3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 55.195 -12.759 -3.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 55.584 -12.079 -2.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 54.512 -11.275 -3.429 1.00 0.00 H new ATOM 771 N GLN A 49 59.094 -4.688 -2.766 1.00 0.00 N ATOM 772 CA GLN A 49 59.803 -3.722 -1.935 1.00 0.00 C ATOM 773 C GLN A 49 59.729 -4.126 -0.467 1.00 0.00 C ATOM 774 O GLN A 49 58.670 -4.517 0.026 1.00 0.00 O ATOM 775 CB GLN A 49 59.192 -2.331 -2.117 1.00 0.00 C ATOM 776 CG GLN A 49 60.276 -1.270 -1.919 1.00 0.00 C ATOM 777 CD GLN A 49 59.636 0.079 -1.604 1.00 0.00 C ATOM 778 OE1 GLN A 49 59.652 0.984 -2.438 1.00 0.00 O ATOM 779 NE2 GLN A 49 59.072 0.268 -0.442 1.00 0.00 N ATOM 0 H GLN A 49 58.129 -4.438 -2.980 1.00 0.00 H new ATOM 0 HA GLN A 49 60.849 -3.701 -2.242 1.00 0.00 H new ATOM 0 HB2 GLN A 49 58.756 -2.240 -3.112 1.00 0.00 H new ATOM 0 HB3 GLN A 49 58.385 -2.180 -1.401 1.00 0.00 H new ATOM 0 HG2 GLN A 49 60.941 -1.565 -1.107 1.00 0.00 H new ATOM 0 HG3 GLN A 49 60.887 -1.191 -2.818 1.00 0.00 H new ATOM 0 HE21 GLN A 49 59.060 -0.484 0.247 1.00 0.00 H new ATOM 0 HE22 GLN A 49 58.643 1.167 -0.223 1.00 0.00 H new ATOM 788 N LEU A 50 60.859 -4.031 0.226 1.00 0.00 N ATOM 789 CA LEU A 50 60.907 -4.393 1.638 1.00 0.00 C ATOM 790 C LEU A 50 60.589 -3.188 2.515 1.00 0.00 C ATOM 791 O LEU A 50 61.212 -2.133 2.389 1.00 0.00 O ATOM 792 CB LEU A 50 62.296 -4.930 1.995 1.00 0.00 C ATOM 793 CG LEU A 50 62.778 -5.888 0.903 1.00 0.00 C ATOM 794 CD1 LEU A 50 64.024 -6.630 1.387 1.00 0.00 C ATOM 795 CD2 LEU A 50 61.674 -6.900 0.590 1.00 0.00 C ATOM 0 H LEU A 50 61.746 -3.710 -0.162 1.00 0.00 H new ATOM 0 HA LEU A 50 60.160 -5.166 1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 50 62.999 -4.104 2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 50 62.261 -5.446 2.955 1.00 0.00 H new ATOM 0 HG LEU A 50 63.019 -5.321 0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 50 64.367 -7.312 0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 50 64.812 -5.911 1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 50 63.783 -7.197 2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 50 62.016 -7.583 -0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 50 61.434 -7.466 1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 50 60.785 -6.373 0.244 1.00 0.00 H new ATOM 807 N GLU A 51 59.620 -3.354 3.409 1.00 0.00 N ATOM 808 CA GLU A 51 59.230 -2.277 4.310 1.00 0.00 C ATOM 809 C GLU A 51 60.036 -2.353 5.599 1.00 0.00 C ATOM 810 O GLU A 51 60.439 -3.435 6.027 1.00 0.00 O ATOM 811 CB GLU A 51 57.736 -2.376 4.631 1.00 0.00 C ATOM 812 CG GLU A 51 56.931 -2.332 3.331 1.00 0.00 C ATOM 813 CD GLU A 51 56.638 -3.749 2.852 1.00 0.00 C ATOM 814 OE1 GLU A 51 57.457 -4.290 2.128 1.00 0.00 O ATOM 815 OE2 GLU A 51 55.599 -4.273 3.218 1.00 0.00 O ATOM 0 H GLU A 51 59.093 -4.219 3.528 1.00 0.00 H new ATOM 0 HA GLU A 51 59.429 -1.324 3.821 1.00 0.00 H new ATOM 0 HB2 GLU A 51 57.529 -3.302 5.168 1.00 0.00 H new ATOM 0 HB3 GLU A 51 57.438 -1.555 5.284 1.00 0.00 H new ATOM 0 HG2 GLU A 51 55.997 -1.792 3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 51 57.487 -1.789 2.567 1.00 0.00 H new ATOM 822 N ASP A 52 60.271 -1.201 6.214 1.00 0.00 N ATOM 823 CA ASP A 52 61.033 -1.157 7.451 1.00 0.00 C ATOM 824 C ASP A 52 60.211 -1.723 8.604 1.00 0.00 C ATOM 825 O ASP A 52 59.177 -1.164 8.974 1.00 0.00 O ATOM 826 CB ASP A 52 61.436 0.285 7.764 1.00 0.00 C ATOM 827 CG ASP A 52 60.805 1.237 6.753 1.00 0.00 C ATOM 828 OD1 ASP A 52 59.727 1.734 7.032 1.00 0.00 O ATOM 829 OD2 ASP A 52 61.405 1.449 5.711 1.00 0.00 O ATOM 0 H ASP A 52 59.948 -0.294 5.879 1.00 0.00 H new ATOM 0 HA ASP A 52 61.930 -1.764 7.328 1.00 0.00 H new ATOM 0 HB2 ASP A 52 61.117 0.549 8.772 1.00 0.00 H new ATOM 0 HB3 ASP A 52 62.521 0.381 7.738 1.00 0.00 H new ATOM 834 N GLY A 53 60.674 -2.835 9.170 1.00 0.00 N ATOM 835 CA GLY A 53 59.968 -3.465 10.282 1.00 0.00 C ATOM 836 C GLY A 53 60.068 -4.985 10.206 1.00 0.00 C ATOM 837 O GLY A 53 60.154 -5.661 11.232 1.00 0.00 O ATOM 0 H GLY A 53 61.526 -3.314 8.880 1.00 0.00 H new ATOM 0 HA2 GLY A 53 60.386 -3.117 11.226 1.00 0.00 H new ATOM 0 HA3 GLY A 53 58.920 -3.165 10.268 1.00 0.00 H new ATOM 841 N ARG A 54 60.062 -5.518 8.989 1.00 0.00 N ATOM 842 CA ARG A 54 60.159 -6.963 8.800 1.00 0.00 C ATOM 843 C ARG A 54 61.613 -7.394 8.887 1.00 0.00 C ATOM 844 O ARG A 54 62.510 -6.606 8.596 1.00 0.00 O ATOM 845 CB ARG A 54 59.590 -7.359 7.437 1.00 0.00 C ATOM 846 CG ARG A 54 58.464 -6.402 7.048 1.00 0.00 C ATOM 847 CD ARG A 54 57.422 -6.359 8.168 1.00 0.00 C ATOM 848 NE ARG A 54 56.098 -6.095 7.618 1.00 0.00 N ATOM 849 CZ ARG A 54 55.332 -7.080 7.157 1.00 0.00 C ATOM 850 NH1 ARG A 54 54.147 -6.817 6.679 1.00 0.00 N ATOM 851 NH2 ARG A 54 55.766 -8.311 7.185 1.00 0.00 N ATOM 0 H ARG A 54 59.992 -4.979 8.126 1.00 0.00 H new ATOM 0 HA ARG A 54 59.584 -7.459 9.582 1.00 0.00 H new ATOM 0 HB2 ARG A 54 60.377 -7.335 6.683 1.00 0.00 H new ATOM 0 HB3 ARG A 54 59.214 -8.382 7.473 1.00 0.00 H new ATOM 0 HG2 ARG A 54 58.865 -5.404 6.871 1.00 0.00 H new ATOM 0 HG3 ARG A 54 58.000 -6.728 6.117 1.00 0.00 H new ATOM 0 HD2 ARG A 54 57.417 -7.307 8.706 1.00 0.00 H new ATOM 0 HD3 ARG A 54 57.685 -5.585 8.889 1.00 0.00 H new ATOM 0 HE ARG A 54 55.752 -5.136 7.586 1.00 0.00 H new ATOM 0 HH11 ARG A 54 53.807 -5.855 6.659 1.00 0.00 H new ATOM 0 HH12 ARG A 54 53.560 -7.573 6.326 1.00 0.00 H new ATOM 0 HH21 ARG A 54 56.692 -8.517 7.560 1.00 0.00 H new ATOM 0 HH22 ARG A 54 55.179 -9.067 6.832 1.00 0.00 H new ATOM 865 N THR A 55 61.849 -8.636 9.300 1.00 0.00 N ATOM 866 CA THR A 55 63.214 -9.128 9.431 1.00 0.00 C ATOM 867 C THR A 55 63.599 -10.054 8.290 1.00 0.00 C ATOM 868 O THR A 55 62.747 -10.524 7.537 1.00 0.00 O ATOM 869 CB THR A 55 63.392 -9.828 10.774 1.00 0.00 C ATOM 870 OG1 THR A 55 62.607 -11.012 10.809 1.00 0.00 O ATOM 871 CG2 THR A 55 62.952 -8.877 11.876 1.00 0.00 C ATOM 0 H THR A 55 61.124 -9.310 9.546 1.00 0.00 H new ATOM 0 HA THR A 55 63.881 -8.267 9.384 1.00 0.00 H new ATOM 0 HB THR A 55 64.437 -10.102 10.917 1.00 0.00 H new ATOM 0 HG1 THR A 55 62.726 -11.458 11.673 1.00 0.00 H new ATOM 0 HG21 THR A 55 63.073 -9.362 12.845 1.00 0.00 H new ATOM 0 HG22 THR A 55 63.563 -7.975 11.843 1.00 0.00 H new ATOM 0 HG23 THR A 55 61.905 -8.612 11.731 1.00 0.00 H new ATOM 879 N LEU A 56 64.901 -10.298 8.167 1.00 0.00 N ATOM 880 CA LEU A 56 65.404 -11.156 7.108 1.00 0.00 C ATOM 881 C LEU A 56 64.726 -12.519 7.188 1.00 0.00 C ATOM 882 O LEU A 56 64.460 -13.156 6.169 1.00 0.00 O ATOM 883 CB LEU A 56 66.922 -11.350 7.246 1.00 0.00 C ATOM 884 CG LEU A 56 67.675 -10.027 7.038 1.00 0.00 C ATOM 885 CD1 LEU A 56 69.178 -10.297 7.110 1.00 0.00 C ATOM 886 CD2 LEU A 56 67.352 -9.441 5.666 1.00 0.00 C ATOM 0 H LEU A 56 65.618 -9.916 8.783 1.00 0.00 H new ATOM 0 HA LEU A 56 65.187 -10.683 6.150 1.00 0.00 H new ATOM 0 HB2 LEU A 56 67.151 -11.750 8.234 1.00 0.00 H new ATOM 0 HB3 LEU A 56 67.265 -12.084 6.517 1.00 0.00 H new ATOM 0 HG LEU A 56 67.371 -9.321 7.811 1.00 0.00 H new ATOM 0 HD11 LEU A 56 69.723 -9.364 6.964 1.00 0.00 H new ATOM 0 HD12 LEU A 56 69.427 -10.713 8.086 1.00 0.00 H new ATOM 0 HD13 LEU A 56 69.458 -11.007 6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 56 67.893 -8.504 5.534 1.00 0.00 H new ATOM 0 HD22 LEU A 56 67.651 -10.145 4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 56 66.281 -9.255 5.593 1.00 0.00 H new ATOM 898 N SER A 57 64.455 -12.962 8.414 1.00 0.00 N ATOM 899 CA SER A 57 63.813 -14.257 8.623 1.00 0.00 C ATOM 900 C SER A 57 62.350 -14.220 8.189 1.00 0.00 C ATOM 901 O SER A 57 61.781 -15.244 7.810 1.00 0.00 O ATOM 902 CB SER A 57 63.898 -14.646 10.098 1.00 0.00 C ATOM 903 OG SER A 57 62.692 -15.293 10.483 1.00 0.00 O ATOM 0 H SER A 57 64.668 -12.449 9.270 1.00 0.00 H new ATOM 0 HA SER A 57 64.335 -14.997 8.016 1.00 0.00 H new ATOM 0 HB2 SER A 57 64.748 -15.308 10.263 1.00 0.00 H new ATOM 0 HB3 SER A 57 64.060 -13.760 10.711 1.00 0.00 H new ATOM 0 HG SER A 57 62.744 -15.545 11.429 1.00 0.00 H new ATOM 909 N ASP A 58 61.740 -13.041 8.256 1.00 0.00 N ATOM 910 CA ASP A 58 60.338 -12.893 7.877 1.00 0.00 C ATOM 911 C ASP A 58 60.171 -12.931 6.360 1.00 0.00 C ATOM 912 O ASP A 58 59.142 -13.379 5.852 1.00 0.00 O ATOM 913 CB ASP A 58 59.788 -11.571 8.411 1.00 0.00 C ATOM 914 CG ASP A 58 59.865 -11.549 9.934 1.00 0.00 C ATOM 915 OD1 ASP A 58 60.425 -12.477 10.494 1.00 0.00 O ATOM 916 OD2 ASP A 58 59.361 -10.604 10.519 1.00 0.00 O ATOM 0 H ASP A 58 62.190 -12.180 8.567 1.00 0.00 H new ATOM 0 HA ASP A 58 59.784 -13.726 8.311 1.00 0.00 H new ATOM 0 HB2 ASP A 58 60.357 -10.738 7.998 1.00 0.00 H new ATOM 0 HB3 ASP A 58 58.755 -11.442 8.089 1.00 0.00 H new ATOM 921 N TYR A 59 61.182 -12.458 5.640 1.00 0.00 N ATOM 922 CA TYR A 59 61.125 -12.443 4.181 1.00 0.00 C ATOM 923 C TYR A 59 61.733 -13.721 3.612 1.00 0.00 C ATOM 924 O TYR A 59 62.035 -13.803 2.421 1.00 0.00 O ATOM 925 CB TYR A 59 61.884 -11.228 3.639 1.00 0.00 C ATOM 926 CG TYR A 59 60.916 -10.097 3.372 1.00 0.00 C ATOM 927 CD1 TYR A 59 59.935 -10.237 2.384 1.00 0.00 C ATOM 928 CD2 TYR A 59 61.006 -8.910 4.107 1.00 0.00 C ATOM 929 CE1 TYR A 59 59.043 -9.188 2.129 1.00 0.00 C ATOM 930 CE2 TYR A 59 60.114 -7.860 3.853 1.00 0.00 C ATOM 931 CZ TYR A 59 59.132 -8.000 2.864 1.00 0.00 C ATOM 932 OH TYR A 59 58.253 -6.966 2.614 1.00 0.00 O ATOM 0 H TYR A 59 62.044 -12.083 6.037 1.00 0.00 H new ATOM 0 HA TYR A 59 60.080 -12.382 3.876 1.00 0.00 H new ATOM 0 HB2 TYR A 59 62.640 -10.910 4.357 1.00 0.00 H new ATOM 0 HB3 TYR A 59 62.408 -11.495 2.721 1.00 0.00 H new ATOM 0 HD1 TYR A 59 59.866 -11.154 1.818 1.00 0.00 H new ATOM 0 HD2 TYR A 59 61.763 -8.803 4.870 1.00 0.00 H new ATOM 0 HE1 TYR A 59 58.287 -9.296 1.366 1.00 0.00 H new ATOM 0 HE2 TYR A 59 60.183 -6.943 4.419 1.00 0.00 H new ATOM 0 HH TYR A 59 58.613 -6.134 2.986 1.00 0.00 H new ATOM 942 N ASN A 60 61.913 -14.717 4.473 1.00 0.00 N ATOM 943 CA ASN A 60 62.490 -15.986 4.048 1.00 0.00 C ATOM 944 C ASN A 60 63.726 -15.748 3.188 1.00 0.00 C ATOM 945 O ASN A 60 63.858 -16.307 2.101 1.00 0.00 O ATOM 946 CB ASN A 60 61.460 -16.792 3.254 1.00 0.00 C ATOM 947 CG ASN A 60 60.085 -16.666 3.903 1.00 0.00 C ATOM 948 OD1 ASN A 60 59.100 -16.381 3.221 1.00 0.00 O ATOM 949 ND2 ASN A 60 59.958 -16.861 5.187 1.00 0.00 N ATOM 0 H ASN A 60 61.669 -14.671 5.462 1.00 0.00 H new ATOM 0 HA ASN A 60 62.780 -16.547 4.936 1.00 0.00 H new ATOM 0 HB2 ASN A 60 61.420 -16.433 2.226 1.00 0.00 H new ATOM 0 HB3 ASN A 60 61.758 -17.840 3.215 1.00 0.00 H new ATOM 0 HD21 ASN A 60 59.042 -16.777 5.627 1.00 0.00 H new ATOM 0 HD22 ASN A 60 60.775 -17.097 5.750 1.00 0.00 H new ATOM 956 N ILE A 61 64.627 -14.908 3.688 1.00 0.00 N ATOM 957 CA ILE A 61 65.852 -14.590 2.964 1.00 0.00 C ATOM 958 C ILE A 61 66.917 -15.652 3.233 1.00 0.00 C ATOM 959 O ILE A 61 67.077 -16.114 4.362 1.00 0.00 O ATOM 960 CB ILE A 61 66.342 -13.205 3.398 1.00 0.00 C ATOM 961 CG1 ILE A 61 65.175 -12.210 3.211 1.00 0.00 C ATOM 962 CG2 ILE A 61 67.569 -12.802 2.569 1.00 0.00 C ATOM 963 CD1 ILE A 61 65.586 -10.983 2.382 1.00 0.00 C ATOM 0 H ILE A 61 64.532 -14.437 4.588 1.00 0.00 H new ATOM 0 HA ILE A 61 65.654 -14.580 1.892 1.00 0.00 H new ATOM 0 HB ILE A 61 66.647 -13.208 4.444 1.00 0.00 H new ATOM 0 HG12 ILE A 61 64.343 -12.716 2.720 1.00 0.00 H new ATOM 0 HG13 ILE A 61 64.818 -11.884 4.188 1.00 0.00 H new ATOM 0 HG21 ILE A 61 67.912 -11.816 2.883 1.00 0.00 H new ATOM 0 HG22 ILE A 61 68.366 -13.529 2.722 1.00 0.00 H new ATOM 0 HG23 ILE A 61 67.301 -12.774 1.513 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.733 -10.312 2.277 1.00 0.00 H new ATOM 0 HD12 ILE A 61 66.399 -10.460 2.885 1.00 0.00 H new ATOM 0 HD13 ILE A 61 65.917 -11.305 1.395 1.00 0.00 H new ATOM 975 N GLN A 62 67.631 -16.045 2.180 1.00 0.00 N ATOM 976 CA GLN A 62 68.666 -17.069 2.306 1.00 0.00 C ATOM 977 C GLN A 62 70.025 -16.443 2.600 1.00 0.00 C ATOM 978 O GLN A 62 70.139 -15.229 2.764 1.00 0.00 O ATOM 979 CB GLN A 62 68.750 -17.885 1.014 1.00 0.00 C ATOM 980 CG GLN A 62 67.645 -18.943 1.005 1.00 0.00 C ATOM 981 CD GLN A 62 68.114 -20.195 1.740 1.00 0.00 C ATOM 982 OE1 GLN A 62 68.742 -21.069 1.141 1.00 0.00 O ATOM 983 NE2 GLN A 62 67.847 -20.332 3.010 1.00 0.00 N ATOM 0 H GLN A 62 67.514 -15.674 1.237 1.00 0.00 H new ATOM 0 HA GLN A 62 68.398 -17.721 3.138 1.00 0.00 H new ATOM 0 HB2 GLN A 62 68.647 -17.229 0.150 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.726 -18.363 0.936 1.00 0.00 H new ATOM 0 HG2 GLN A 62 66.748 -18.547 1.480 1.00 0.00 H new ATOM 0 HG3 GLN A 62 67.378 -19.193 -0.022 1.00 0.00 H new ATOM 0 HE21 GLN A 62 67.327 -19.606 3.503 1.00 0.00 H new ATOM 0 HE22 GLN A 62 68.159 -21.165 3.510 1.00 0.00 H new ATOM 992 N LYS A 63 71.051 -17.286 2.673 1.00 0.00 N ATOM 993 CA LYS A 63 72.402 -16.815 2.957 1.00 0.00 C ATOM 994 C LYS A 63 73.118 -16.406 1.677 1.00 0.00 C ATOM 995 O LYS A 63 74.279 -16.002 1.694 1.00 0.00 O ATOM 996 CB LYS A 63 73.202 -17.919 3.642 1.00 0.00 C ATOM 997 CG LYS A 63 73.084 -19.212 2.834 1.00 0.00 C ATOM 998 CD LYS A 63 74.084 -20.241 3.364 1.00 0.00 C ATOM 999 CE LYS A 63 73.389 -21.594 3.525 1.00 0.00 C ATOM 1000 NZ LYS A 63 74.390 -22.621 3.928 1.00 0.00 N ATOM 0 H LYS A 63 70.973 -18.294 2.540 1.00 0.00 H new ATOM 0 HA LYS A 63 72.326 -15.947 3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 63 74.248 -17.625 3.727 1.00 0.00 H new ATOM 0 HB3 LYS A 63 72.832 -18.076 4.655 1.00 0.00 H new ATOM 0 HG2 LYS A 63 72.070 -19.606 2.904 1.00 0.00 H new ATOM 0 HG3 LYS A 63 73.276 -19.013 1.780 1.00 0.00 H new ATOM 0 HD2 LYS A 63 74.926 -20.332 2.678 1.00 0.00 H new ATOM 0 HD3 LYS A 63 74.488 -19.912 4.321 1.00 0.00 H new ATOM 0 HE2 LYS A 63 72.602 -21.524 4.276 1.00 0.00 H new ATOM 0 HE3 LYS A 63 72.912 -21.883 2.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 73.918 -23.541 4.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 75.126 -22.694 3.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 74.826 -22.345 4.831 1.00 0.00 H new ATOM 1014 N GLU A 64 72.411 -16.531 0.575 1.00 0.00 N ATOM 1015 CA GLU A 64 72.951 -16.187 -0.724 1.00 0.00 C ATOM 1016 C GLU A 64 72.012 -15.226 -1.442 1.00 0.00 C ATOM 1017 O GLU A 64 72.364 -14.638 -2.464 1.00 0.00 O ATOM 1018 CB GLU A 64 73.145 -17.458 -1.551 1.00 0.00 C ATOM 1019 CG GLU A 64 74.605 -17.902 -1.462 1.00 0.00 C ATOM 1020 CD GLU A 64 74.739 -19.356 -1.902 1.00 0.00 C ATOM 1021 OE1 GLU A 64 73.822 -19.853 -2.535 1.00 0.00 O ATOM 1022 OE2 GLU A 64 75.760 -19.951 -1.601 1.00 0.00 O ATOM 0 H GLU A 64 71.450 -16.872 0.553 1.00 0.00 H new ATOM 0 HA GLU A 64 73.916 -15.697 -0.595 1.00 0.00 H new ATOM 0 HB2 GLU A 64 72.490 -18.248 -1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 64 72.872 -17.275 -2.590 1.00 0.00 H new ATOM 0 HG2 GLU A 64 75.226 -17.265 -2.092 1.00 0.00 H new ATOM 0 HG3 GLU A 64 74.966 -17.789 -0.440 1.00 0.00 H new ATOM 1029 N SER A 65 70.807 -15.095 -0.899 1.00 0.00 N ATOM 1030 CA SER A 65 69.792 -14.229 -1.484 1.00 0.00 C ATOM 1031 C SER A 65 70.407 -12.954 -2.046 1.00 0.00 C ATOM 1032 O SER A 65 71.230 -12.308 -1.397 1.00 0.00 O ATOM 1033 CB SER A 65 68.750 -13.867 -0.428 1.00 0.00 C ATOM 1034 OG SER A 65 67.603 -14.689 -0.599 1.00 0.00 O ATOM 0 H SER A 65 70.509 -15.579 -0.052 1.00 0.00 H new ATOM 0 HA SER A 65 69.319 -14.771 -2.303 1.00 0.00 H new ATOM 0 HB2 SER A 65 69.165 -14.004 0.571 1.00 0.00 H new ATOM 0 HB3 SER A 65 68.475 -12.816 -0.517 1.00 0.00 H new ATOM 0 HG SER A 65 66.965 -14.241 -1.193 1.00 0.00 H new ATOM 1040 N THR A 66 69.988 -12.595 -3.253 1.00 0.00 N ATOM 1041 CA THR A 66 70.486 -11.389 -3.899 1.00 0.00 C ATOM 1042 C THR A 66 69.477 -10.261 -3.718 1.00 0.00 C ATOM 1043 O THR A 66 68.328 -10.372 -4.146 1.00 0.00 O ATOM 1044 CB THR A 66 70.712 -11.646 -5.390 1.00 0.00 C ATOM 1045 OG1 THR A 66 71.573 -12.765 -5.550 1.00 0.00 O ATOM 1046 CG2 THR A 66 71.351 -10.413 -6.032 1.00 0.00 C ATOM 0 H THR A 66 69.307 -13.120 -3.802 1.00 0.00 H new ATOM 0 HA THR A 66 71.434 -11.105 -3.443 1.00 0.00 H new ATOM 0 HB THR A 66 69.756 -11.849 -5.873 1.00 0.00 H new ATOM 0 HG1 THR A 66 71.718 -12.933 -6.505 1.00 0.00 H new ATOM 0 HG21 THR A 66 71.511 -10.598 -7.094 1.00 0.00 H new ATOM 0 HG22 THR A 66 70.690 -9.555 -5.909 1.00 0.00 H new ATOM 0 HG23 THR A 66 72.307 -10.207 -5.551 1.00 0.00 H new ATOM 1054 N LEU A 67 69.907 -9.182 -3.074 1.00 0.00 N ATOM 1055 CA LEU A 67 69.022 -8.049 -2.833 1.00 0.00 C ATOM 1056 C LEU A 67 69.327 -6.910 -3.795 1.00 0.00 C ATOM 1057 O LEU A 67 70.485 -6.647 -4.116 1.00 0.00 O ATOM 1058 CB LEU A 67 69.186 -7.556 -1.392 1.00 0.00 C ATOM 1059 CG LEU A 67 68.582 -8.579 -0.429 1.00 0.00 C ATOM 1060 CD1 LEU A 67 69.511 -8.758 0.773 1.00 0.00 C ATOM 1061 CD2 LEU A 67 67.218 -8.079 0.053 1.00 0.00 C ATOM 0 H LEU A 67 70.854 -9.068 -2.712 1.00 0.00 H new ATOM 0 HA LEU A 67 67.995 -8.378 -2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 67 70.242 -7.407 -1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 67 68.695 -6.591 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 67 68.461 -9.534 -0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 67 69.081 -9.487 1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 67 70.484 -9.111 0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 67 69.631 -7.804 1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 67 66.786 -8.807 0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 67 67.341 -7.125 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 67 66.555 -7.949 -0.802 1.00 0.00 H new ATOM 1073 N HIS A 68 68.278 -6.237 -4.252 1.00 0.00 N ATOM 1074 CA HIS A 68 68.439 -5.126 -5.178 1.00 0.00 C ATOM 1075 C HIS A 68 68.445 -3.804 -4.417 1.00 0.00 C ATOM 1076 O HIS A 68 67.449 -3.429 -3.798 1.00 0.00 O ATOM 1077 CB HIS A 68 67.300 -5.130 -6.198 1.00 0.00 C ATOM 1078 CG HIS A 68 67.325 -6.421 -6.962 1.00 0.00 C ATOM 1079 ND1 HIS A 68 66.742 -7.578 -6.467 1.00 0.00 N ATOM 1080 CD2 HIS A 68 67.860 -6.762 -8.178 1.00 0.00 C ATOM 1081 CE1 HIS A 68 66.938 -8.551 -7.374 1.00 0.00 C ATOM 1082 NE2 HIS A 68 67.616 -8.108 -8.437 1.00 0.00 N ATOM 0 H HIS A 68 67.312 -6.441 -3.997 1.00 0.00 H new ATOM 0 HA HIS A 68 69.389 -5.238 -5.700 1.00 0.00 H new ATOM 0 HB2 HIS A 68 66.342 -5.012 -5.691 1.00 0.00 H new ATOM 0 HB3 HIS A 68 67.405 -4.287 -6.881 1.00 0.00 H new ATOM 0 HD1 HIS A 68 66.253 -7.673 -5.577 1.00 0.00 H new ATOM 0 HD2 HIS A 68 68.390 -6.088 -8.835 1.00 0.00 H new ATOM 0 HE1 HIS A 68 66.590 -9.567 -7.258 1.00 0.00 H new ATOM 1090 N LEU A 69 69.573 -3.107 -4.461 1.00 0.00 N ATOM 1091 CA LEU A 69 69.700 -1.832 -3.764 1.00 0.00 C ATOM 1092 C LEU A 69 69.461 -0.675 -4.732 1.00 0.00 C ATOM 1093 O LEU A 69 70.289 -0.392 -5.598 1.00 0.00 O ATOM 1094 CB LEU A 69 71.096 -1.728 -3.138 1.00 0.00 C ATOM 1095 CG LEU A 69 71.350 -0.307 -2.624 1.00 0.00 C ATOM 1096 CD1 LEU A 69 70.175 0.155 -1.759 1.00 0.00 C ATOM 1097 CD2 LEU A 69 72.631 -0.296 -1.782 1.00 0.00 C ATOM 0 H LEU A 69 70.408 -3.400 -4.968 1.00 0.00 H new ATOM 0 HA LEU A 69 68.951 -1.777 -2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 69 71.187 -2.439 -2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 69 71.853 -1.995 -3.876 1.00 0.00 H new ATOM 0 HG LEU A 69 71.457 0.367 -3.474 1.00 0.00 H new ATOM 0 HD11 LEU A 69 70.364 1.166 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 69 69.261 0.147 -2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.062 -0.518 -0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 69 72.816 0.713 -1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 69 72.517 -0.975 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 69 73.472 -0.618 -2.395 1.00 0.00 H new ATOM 1109 N VAL A 70 68.316 -0.019 -4.577 1.00 0.00 N ATOM 1110 CA VAL A 70 67.954 1.100 -5.440 1.00 0.00 C ATOM 1111 C VAL A 70 68.174 2.430 -4.725 1.00 0.00 C ATOM 1112 O VAL A 70 67.988 2.533 -3.512 1.00 0.00 O ATOM 1113 CB VAL A 70 66.484 0.981 -5.851 1.00 0.00 C ATOM 1114 CG1 VAL A 70 66.300 1.505 -7.275 1.00 0.00 C ATOM 1115 CG2 VAL A 70 66.057 -0.487 -5.794 1.00 0.00 C ATOM 0 H VAL A 70 67.623 -0.242 -3.863 1.00 0.00 H new ATOM 0 HA VAL A 70 68.589 1.070 -6.325 1.00 0.00 H new ATOM 0 HB VAL A 70 65.872 1.569 -5.168 1.00 0.00 H new ATOM 0 HG11 VAL A 70 65.252 1.418 -7.562 1.00 0.00 H new ATOM 0 HG12 VAL A 70 66.603 2.551 -7.320 1.00 0.00 H new ATOM 0 HG13 VAL A 70 66.914 0.920 -7.960 1.00 0.00 H new ATOM 0 HG21 VAL A 70 65.010 -0.573 -6.086 1.00 0.00 H new ATOM 0 HG22 VAL A 70 66.674 -1.072 -6.476 1.00 0.00 H new ATOM 0 HG23 VAL A 70 66.182 -0.863 -4.779 1.00 0.00 H new ATOM 1125 N LEU A 71 68.572 3.444 -5.486 1.00 0.00 N ATOM 1126 CA LEU A 71 68.815 4.765 -4.919 1.00 0.00 C ATOM 1127 C LEU A 71 67.617 5.679 -5.159 1.00 0.00 C ATOM 1128 O LEU A 71 67.081 5.737 -6.267 1.00 0.00 O ATOM 1129 CB LEU A 71 70.062 5.382 -5.556 1.00 0.00 C ATOM 1130 CG LEU A 71 71.220 5.351 -4.558 1.00 0.00 C ATOM 1131 CD1 LEU A 71 72.529 5.660 -5.286 1.00 0.00 C ATOM 1132 CD2 LEU A 71 70.984 6.401 -3.469 1.00 0.00 C ATOM 0 H LEU A 71 68.732 3.377 -6.491 1.00 0.00 H new ATOM 0 HA LEU A 71 68.968 4.658 -3.845 1.00 0.00 H new ATOM 0 HB2 LEU A 71 70.332 4.832 -6.458 1.00 0.00 H new ATOM 0 HB3 LEU A 71 69.857 6.409 -5.858 1.00 0.00 H new ATOM 0 HG LEU A 71 71.281 4.362 -4.103 1.00 0.00 H new ATOM 0 HD11 LEU A 71 73.355 5.638 -4.575 1.00 0.00 H new ATOM 0 HD12 LEU A 71 72.699 4.914 -6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 71 72.468 6.649 -5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 71 71.809 6.379 -2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 71 70.923 7.390 -3.924 1.00 0.00 H new ATOM 0 HD23 LEU A 71 70.051 6.183 -2.949 1.00 0.00 H new