USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 576 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 GLN : amide:sc= -0.839 K(o=-0.84,f=-2.4!) USER MOD Single : A 6 LYS NZ :NH3+ -170:sc=-0.00897 (180deg=-0.139) USER MOD Single : A 7 THR OG1 : rot -159:sc= -0.852 USER MOD Single : A 9 THR OG1 : rot -32:sc= 0.258 USER MOD Single : A 11 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0768) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -1:sc= 0.502! USER MOD Single : A 20 SER OG : rot -81:sc= 0.0468 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -2.82! C(o=-2.8!,f=-6!) USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= -0.0191 (180deg=-0.224) USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0402) USER MOD Single : A 31 GLN : amide:sc= -0.161 K(o=-0.16,f=-0.69) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 41 GLN : amide:sc= -3.79! C(o=-3.8!,f=-16!) USER MOD Single : A 48 LYS NZ :NH3+ -139:sc= -0.118 (180deg=-0.912) USER MOD Single : A 49 GLN : amide:sc= -0.172 K(o=-0.17,f=-1.6!) USER MOD Single : A 55 THR OG1 : rot 36:sc= 0.822 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 62 GLN : amide:sc= -0.101 K(o=-0.1,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -150:sc= -0.26 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0638 X(o=-0.064,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -14.045 5.013 1.854 1.00 0.00 N ATOM 21 CA GLN A 2 -14.230 3.599 1.537 1.00 0.00 C ATOM 22 C GLN A 2 -13.429 2.714 2.492 1.00 0.00 C ATOM 23 O GLN A 2 -13.920 1.682 2.951 1.00 0.00 O ATOM 24 CB GLN A 2 -13.813 3.316 0.092 1.00 0.00 C ATOM 25 CG GLN A 2 -14.780 3.876 -0.940 1.00 0.00 C ATOM 26 CD GLN A 2 -16.210 3.422 -0.707 1.00 0.00 C ATOM 27 OE1 GLN A 2 -16.451 2.425 -0.028 1.00 0.00 O ATOM 28 NE2 GLN A 2 -17.170 4.153 -1.271 1.00 0.00 N ATOM 0 HA GLN A 2 -15.288 3.365 1.654 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.824 3.739 -0.082 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -13.728 2.238 -0.049 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.740 4.965 -0.917 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -14.462 3.567 -1.936 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -16.927 4.973 -1.827 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -18.148 3.893 -1.147 1.00 0.00 H new ATOM 37 N ILE A 3 -12.194 3.118 2.788 1.00 0.00 N ATOM 38 CA ILE A 3 -11.337 2.353 3.686 1.00 0.00 C ATOM 39 C ILE A 3 -10.569 3.275 4.630 1.00 0.00 C ATOM 40 O ILE A 3 -10.664 4.499 4.525 1.00 0.00 O ATOM 41 CB ILE A 3 -10.335 1.485 2.898 1.00 0.00 C ATOM 42 CG1 ILE A 3 -9.431 2.364 2.030 1.00 0.00 C ATOM 43 CG2 ILE A 3 -11.075 0.470 2.040 1.00 0.00 C ATOM 44 CD1 ILE A 3 -7.982 1.925 2.029 1.00 0.00 C ATOM 0 H ILE A 3 -11.768 3.968 2.419 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.987 1.702 4.271 1.00 0.00 H new ATOM 0 HB ILE A 3 -9.709 0.946 3.609 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.805 2.357 1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.490 3.393 2.384 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.355 -0.135 1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.678 -0.175 2.679 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.723 0.992 1.336 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.400 2.593 1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -7.591 1.959 3.046 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.911 0.907 1.647 1.00 0.00 H new ATOM 56 N PHE A 4 -9.809 2.687 5.552 1.00 0.00 N ATOM 57 CA PHE A 4 -9.032 3.469 6.508 1.00 0.00 C ATOM 58 C PHE A 4 -7.539 3.188 6.356 1.00 0.00 C ATOM 59 O PHE A 4 -7.038 2.170 6.835 1.00 0.00 O ATOM 60 CB PHE A 4 -9.483 3.158 7.938 1.00 0.00 C ATOM 61 CG PHE A 4 -10.196 4.300 8.604 1.00 0.00 C ATOM 62 CD1 PHE A 4 -11.515 4.586 8.291 1.00 0.00 C ATOM 63 CD2 PHE A 4 -9.548 5.087 9.542 1.00 0.00 C ATOM 64 CE1 PHE A 4 -12.175 5.636 8.900 1.00 0.00 C ATOM 65 CE2 PHE A 4 -10.203 6.139 10.155 1.00 0.00 C ATOM 66 CZ PHE A 4 -11.519 6.413 9.834 1.00 0.00 C ATOM 0 H PHE A 4 -9.716 1.677 5.656 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.205 4.526 6.303 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -10.141 2.289 7.922 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.612 2.887 8.534 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -12.034 3.981 7.562 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.520 4.876 9.797 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -13.203 5.849 8.646 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.687 6.746 10.884 1.00 0.00 H new ATOM 0 HZ PHE A 4 -12.033 7.233 10.313 1.00 0.00 H new ATOM 76 N VAL A 5 -6.829 4.097 5.688 1.00 0.00 N ATOM 77 CA VAL A 5 -5.394 3.942 5.481 1.00 0.00 C ATOM 78 C VAL A 5 -4.666 5.260 5.732 1.00 0.00 C ATOM 79 O VAL A 5 -5.139 6.324 5.332 1.00 0.00 O ATOM 80 CB VAL A 5 -5.080 3.447 4.055 1.00 0.00 C ATOM 81 CG1 VAL A 5 -5.564 4.450 3.018 1.00 0.00 C ATOM 82 CG2 VAL A 5 -3.590 3.183 3.895 1.00 0.00 C ATOM 0 H VAL A 5 -7.225 4.945 5.283 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.044 3.195 6.193 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.612 2.509 3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.332 4.081 2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.642 4.582 3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.065 5.406 3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.389 2.834 2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.036 4.103 4.079 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.277 2.422 4.609 1.00 0.00 H new ATOM 92 N LYS A 6 -3.517 5.189 6.401 1.00 0.00 N ATOM 93 CA LYS A 6 -2.741 6.384 6.705 1.00 0.00 C ATOM 94 C LYS A 6 -1.482 6.462 5.844 1.00 0.00 C ATOM 95 O LYS A 6 -1.114 5.497 5.174 1.00 0.00 O ATOM 96 CB LYS A 6 -2.359 6.406 8.186 1.00 0.00 C ATOM 97 CG LYS A 6 -3.555 6.444 9.122 1.00 0.00 C ATOM 98 CD LYS A 6 -3.124 6.616 10.569 1.00 0.00 C ATOM 99 CE LYS A 6 -4.311 6.547 11.516 1.00 0.00 C ATOM 100 NZ LYS A 6 -5.312 7.612 11.231 1.00 0.00 N ATOM 0 H LYS A 6 -3.106 4.319 6.741 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.363 7.251 6.480 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.760 5.524 8.411 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.730 7.276 8.378 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.215 7.264 8.838 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.128 5.523 9.019 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.404 5.841 10.830 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.618 7.574 10.688 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.787 5.570 11.431 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.961 6.643 12.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.017 7.640 11.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.832 8.532 11.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.788 7.409 10.329 1.00 0.00 H new ATOM 114 N THR A 7 -0.823 7.620 5.871 1.00 0.00 N ATOM 115 CA THR A 7 0.395 7.829 5.099 1.00 0.00 C ATOM 116 C THR A 7 1.627 7.673 5.992 1.00 0.00 C ATOM 117 O THR A 7 1.517 7.195 7.121 1.00 0.00 O ATOM 118 CB THR A 7 0.370 9.215 4.447 1.00 0.00 C ATOM 119 OG1 THR A 7 0.656 10.225 5.401 1.00 0.00 O ATOM 120 CG2 THR A 7 -0.965 9.547 3.811 1.00 0.00 C ATOM 0 H THR A 7 -1.115 8.428 6.421 1.00 0.00 H new ATOM 0 HA THR A 7 0.448 7.076 4.313 1.00 0.00 H new ATOM 0 HB THR A 7 1.131 9.185 3.668 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.320 11.086 5.076 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.919 10.541 3.366 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.192 8.814 3.037 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.746 9.525 4.571 1.00 0.00 H new ATOM 128 N LEU A 8 2.800 8.067 5.494 1.00 0.00 N ATOM 129 CA LEU A 8 4.028 7.948 6.279 1.00 0.00 C ATOM 130 C LEU A 8 3.989 8.839 7.523 1.00 0.00 C ATOM 131 O LEU A 8 4.705 8.586 8.492 1.00 0.00 O ATOM 132 CB LEU A 8 5.253 8.288 5.426 1.00 0.00 C ATOM 133 CG LEU A 8 5.279 9.714 4.865 1.00 0.00 C ATOM 134 CD1 LEU A 8 6.661 10.329 5.029 1.00 0.00 C ATOM 135 CD2 LEU A 8 4.861 9.718 3.403 1.00 0.00 C ATOM 0 H LEU A 8 2.925 8.466 4.564 1.00 0.00 H new ATOM 0 HA LEU A 8 4.104 6.912 6.608 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.149 8.134 6.027 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.303 7.586 4.594 1.00 0.00 H new ATOM 0 HG LEU A 8 4.568 10.318 5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.659 11.341 4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.922 10.361 6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.394 9.726 4.493 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.885 10.738 3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.548 9.098 2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.850 9.320 3.312 1.00 0.00 H new ATOM 147 N THR A 9 3.157 9.881 7.499 1.00 0.00 N ATOM 148 CA THR A 9 3.049 10.792 8.635 1.00 0.00 C ATOM 149 C THR A 9 1.815 10.493 9.495 1.00 0.00 C ATOM 150 O THR A 9 1.681 11.030 10.595 1.00 0.00 O ATOM 151 CB THR A 9 2.997 12.239 8.144 1.00 0.00 C ATOM 152 OG1 THR A 9 3.035 13.141 9.236 1.00 0.00 O ATOM 153 CG2 THR A 9 1.759 12.553 7.331 1.00 0.00 C ATOM 0 H THR A 9 2.553 10.113 6.711 1.00 0.00 H new ATOM 0 HA THR A 9 3.932 10.645 9.257 1.00 0.00 H new ATOM 0 HB THR A 9 3.871 12.357 7.503 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.590 12.737 10.010 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.786 13.596 7.015 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.727 11.908 6.453 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.871 12.382 7.939 1.00 0.00 H new ATOM 161 N GLY A 10 0.915 9.637 9.003 1.00 0.00 N ATOM 162 CA GLY A 10 -0.276 9.302 9.763 1.00 0.00 C ATOM 163 C GLY A 10 -1.480 10.155 9.393 1.00 0.00 C ATOM 164 O GLY A 10 -2.347 10.404 10.233 1.00 0.00 O ATOM 0 H GLY A 10 0.992 9.174 8.097 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.519 8.252 9.602 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.067 9.421 10.826 1.00 0.00 H new ATOM 168 N LYS A 11 -1.547 10.602 8.138 1.00 0.00 N ATOM 169 CA LYS A 11 -2.666 11.422 7.681 1.00 0.00 C ATOM 170 C LYS A 11 -3.843 10.544 7.261 1.00 0.00 C ATOM 171 O LYS A 11 -3.712 9.325 7.162 1.00 0.00 O ATOM 172 CB LYS A 11 -2.237 12.317 6.514 1.00 0.00 C ATOM 173 CG LYS A 11 -2.835 13.713 6.565 1.00 0.00 C ATOM 174 CD LYS A 11 -3.460 14.103 5.235 1.00 0.00 C ATOM 175 CE LYS A 11 -3.978 15.532 5.262 1.00 0.00 C ATOM 176 NZ LYS A 11 -5.099 15.699 6.227 1.00 0.00 N ATOM 0 H LYS A 11 -0.843 10.411 7.425 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.982 12.055 8.511 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.150 12.397 6.509 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.526 11.841 5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.590 13.757 7.350 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.059 14.432 6.828 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.722 13.997 4.440 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.279 13.422 5.003 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.165 16.207 5.529 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.313 15.815 4.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.512 16.647 6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.828 14.981 6.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.742 15.586 7.197 1.00 0.00 H new ATOM 190 N THR A 12 -4.994 11.168 7.014 1.00 0.00 N ATOM 191 CA THR A 12 -6.186 10.433 6.604 1.00 0.00 C ATOM 192 C THR A 12 -6.430 10.585 5.103 1.00 0.00 C ATOM 193 O THR A 12 -6.647 11.693 4.612 1.00 0.00 O ATOM 194 CB THR A 12 -7.407 10.922 7.391 1.00 0.00 C ATOM 195 OG1 THR A 12 -8.525 10.072 7.176 1.00 0.00 O ATOM 196 CG2 THR A 12 -7.823 12.337 7.040 1.00 0.00 C ATOM 0 H THR A 12 -5.125 12.177 7.091 1.00 0.00 H new ATOM 0 HA THR A 12 -6.026 9.376 6.819 1.00 0.00 H new ATOM 0 HB THR A 12 -7.098 10.903 8.436 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.291 10.403 7.690 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.693 12.618 7.634 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.002 13.021 7.253 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.074 12.390 5.981 1.00 0.00 H new ATOM 204 N ILE A 13 -6.392 9.469 4.375 1.00 0.00 N ATOM 205 CA ILE A 13 -6.610 9.494 2.933 1.00 0.00 C ATOM 206 C ILE A 13 -7.732 8.540 2.527 1.00 0.00 C ATOM 207 O ILE A 13 -8.044 7.593 3.250 1.00 0.00 O ATOM 208 CB ILE A 13 -5.327 9.121 2.166 1.00 0.00 C ATOM 209 CG1 ILE A 13 -4.842 7.731 2.583 1.00 0.00 C ATOM 210 CG2 ILE A 13 -4.244 10.160 2.410 1.00 0.00 C ATOM 211 CD1 ILE A 13 -3.886 7.103 1.594 1.00 0.00 C ATOM 0 H ILE A 13 -6.213 8.542 4.760 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.896 10.513 2.673 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.552 9.102 1.100 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.352 7.802 3.554 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.705 7.076 2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.344 9.883 1.862 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.591 11.135 2.068 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.019 10.208 3.476 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.584 6.120 1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.379 7.000 0.627 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.005 7.736 1.487 1.00 0.00 H new ATOM 223 N THR A 14 -8.335 8.792 1.365 1.00 0.00 N ATOM 224 CA THR A 14 -9.420 7.950 0.872 1.00 0.00 C ATOM 225 C THR A 14 -8.942 7.066 -0.279 1.00 0.00 C ATOM 226 O THR A 14 -8.399 7.560 -1.267 1.00 0.00 O ATOM 227 CB THR A 14 -10.601 8.811 0.410 1.00 0.00 C ATOM 228 OG1 THR A 14 -10.383 9.313 -0.900 1.00 0.00 O ATOM 229 CG2 THR A 14 -10.878 9.991 1.319 1.00 0.00 C ATOM 0 H THR A 14 -8.090 9.569 0.751 1.00 0.00 H new ATOM 0 HA THR A 14 -9.747 7.310 1.691 1.00 0.00 H new ATOM 0 HB THR A 14 -11.464 8.146 0.435 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.508 9.014 -1.224 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.726 10.557 0.933 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.108 9.632 2.322 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.999 10.635 1.357 1.00 0.00 H new ATOM 237 N LEU A 15 -9.147 5.756 -0.147 1.00 0.00 N ATOM 238 CA LEU A 15 -8.735 4.811 -1.180 1.00 0.00 C ATOM 239 C LEU A 15 -9.887 3.882 -1.559 1.00 0.00 C ATOM 240 O LEU A 15 -10.704 3.519 -0.712 1.00 0.00 O ATOM 241 CB LEU A 15 -7.536 3.991 -0.700 1.00 0.00 C ATOM 242 CG LEU A 15 -6.474 3.712 -1.765 1.00 0.00 C ATOM 243 CD1 LEU A 15 -5.083 3.725 -1.150 1.00 0.00 C ATOM 244 CD2 LEU A 15 -6.743 2.378 -2.448 1.00 0.00 C ATOM 0 H LEU A 15 -9.595 5.327 0.663 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.446 5.379 -2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.066 4.516 0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.898 3.039 -0.312 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.524 4.501 -2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.341 3.525 -1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.890 4.702 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.019 2.958 -0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.978 2.195 -3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.720 1.579 -1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.723 2.404 -2.924 1.00 0.00 H new ATOM 256 N GLU A 16 -9.948 3.499 -2.833 1.00 0.00 N ATOM 257 CA GLU A 16 -11.004 2.613 -3.311 1.00 0.00 C ATOM 258 C GLU A 16 -10.491 1.180 -3.445 1.00 0.00 C ATOM 259 O GLU A 16 -9.302 0.955 -3.665 1.00 0.00 O ATOM 260 CB GLU A 16 -11.544 3.104 -4.657 1.00 0.00 C ATOM 261 CG GLU A 16 -12.844 3.883 -4.542 1.00 0.00 C ATOM 262 CD GLU A 16 -14.056 3.052 -4.917 1.00 0.00 C ATOM 263 OE1 GLU A 16 -14.065 1.843 -4.606 1.00 0.00 O ATOM 264 OE2 GLU A 16 -14.994 3.612 -5.521 1.00 0.00 O ATOM 0 H GLU A 16 -9.281 3.788 -3.549 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.812 2.624 -2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.793 3.735 -5.132 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.700 2.246 -5.311 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.958 4.244 -3.520 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.796 4.761 -5.187 1.00 0.00 H new ATOM 271 N VAL A 17 -11.396 0.211 -3.311 1.00 0.00 N ATOM 272 CA VAL A 17 -11.029 -1.196 -3.418 1.00 0.00 C ATOM 273 C VAL A 17 -12.007 -1.951 -4.315 1.00 0.00 C ATOM 274 O VAL A 17 -13.223 -1.827 -4.162 1.00 0.00 O ATOM 275 CB VAL A 17 -10.989 -1.872 -2.036 1.00 0.00 C ATOM 276 CG1 VAL A 17 -10.440 -3.286 -2.147 1.00 0.00 C ATOM 277 CG2 VAL A 17 -10.163 -1.047 -1.061 1.00 0.00 C ATOM 0 H VAL A 17 -12.386 0.376 -3.129 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.033 -1.232 -3.859 1.00 0.00 H new ATOM 0 HB VAL A 17 -12.008 -1.932 -1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.420 -3.747 -1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.077 -3.873 -2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.429 -3.253 -2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -10.146 -1.541 -0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -9.144 -0.952 -1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.605 -0.056 -0.957 1.00 0.00 H new ATOM 287 N GLU A 18 -11.474 -2.736 -5.250 1.00 0.00 N ATOM 288 CA GLU A 18 -12.308 -3.507 -6.164 1.00 0.00 C ATOM 289 C GLU A 18 -12.271 -4.990 -5.810 1.00 0.00 C ATOM 290 O GLU A 18 -11.352 -5.451 -5.132 1.00 0.00 O ATOM 291 CB GLU A 18 -11.846 -3.302 -7.608 1.00 0.00 C ATOM 292 CG GLU A 18 -10.432 -3.794 -7.868 1.00 0.00 C ATOM 293 CD GLU A 18 -9.434 -2.661 -7.996 1.00 0.00 C ATOM 294 OE1 GLU A 18 -9.182 -1.974 -6.985 1.00 0.00 O ATOM 295 OE2 GLU A 18 -8.904 -2.459 -9.110 1.00 0.00 O ATOM 0 H GLU A 18 -10.471 -2.853 -5.393 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.334 -3.153 -6.067 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.532 -3.821 -8.278 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.904 -2.241 -7.852 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.126 -4.453 -7.056 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.420 -4.388 -8.782 1.00 0.00 H new ATOM 302 N PRO A 19 -13.272 -5.762 -6.267 1.00 0.00 N ATOM 303 CA PRO A 19 -13.344 -7.199 -5.994 1.00 0.00 C ATOM 304 C PRO A 19 -12.038 -7.917 -6.330 1.00 0.00 C ATOM 305 O PRO A 19 -11.509 -8.672 -5.514 1.00 0.00 O ATOM 306 CB PRO A 19 -14.470 -7.679 -6.912 1.00 0.00 C ATOM 307 CG PRO A 19 -15.333 -6.481 -7.108 1.00 0.00 C ATOM 308 CD PRO A 19 -14.407 -5.295 -7.084 1.00 0.00 C ATOM 0 HA PRO A 19 -13.520 -7.406 -4.938 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.079 -8.045 -7.861 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.027 -8.499 -6.460 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.870 -6.538 -8.055 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.083 -6.407 -6.320 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.090 -5.013 -8.088 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.886 -4.421 -6.643 1.00 0.00 H new ATOM 316 N SER A 20 -11.520 -7.676 -7.535 1.00 0.00 N ATOM 317 CA SER A 20 -10.272 -8.300 -7.972 1.00 0.00 C ATOM 318 C SER A 20 -9.047 -7.450 -7.615 1.00 0.00 C ATOM 319 O SER A 20 -8.087 -7.392 -8.384 1.00 0.00 O ATOM 320 CB SER A 20 -10.306 -8.553 -9.482 1.00 0.00 C ATOM 321 OG SER A 20 -11.037 -7.540 -10.153 1.00 0.00 O ATOM 0 H SER A 20 -11.944 -7.055 -8.224 1.00 0.00 H new ATOM 0 HA SER A 20 -10.183 -9.249 -7.444 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.288 -8.589 -9.871 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.758 -9.525 -9.681 1.00 0.00 H new ATOM 0 HG SER A 20 -11.996 -7.729 -10.084 1.00 0.00 H new ATOM 327 N ASP A 21 -9.069 -6.792 -6.454 1.00 0.00 N ATOM 328 CA ASP A 21 -7.943 -5.963 -6.033 1.00 0.00 C ATOM 329 C ASP A 21 -6.730 -6.828 -5.698 1.00 0.00 C ATOM 330 O ASP A 21 -6.682 -7.459 -4.642 1.00 0.00 O ATOM 331 CB ASP A 21 -8.323 -5.107 -4.821 1.00 0.00 C ATOM 332 CG ASP A 21 -8.733 -5.945 -3.626 1.00 0.00 C ATOM 333 OD1 ASP A 21 -9.038 -7.142 -3.816 1.00 0.00 O ATOM 334 OD2 ASP A 21 -8.750 -5.406 -2.500 1.00 0.00 O ATOM 0 H ASP A 21 -9.848 -6.818 -5.795 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.685 -5.303 -6.861 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.478 -4.476 -4.546 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.142 -4.441 -5.093 1.00 0.00 H new ATOM 339 N THR A 22 -5.752 -6.857 -6.602 1.00 0.00 N ATOM 340 CA THR A 22 -4.544 -7.651 -6.391 1.00 0.00 C ATOM 341 C THR A 22 -3.516 -6.875 -5.570 1.00 0.00 C ATOM 342 O THR A 22 -3.259 -5.701 -5.835 1.00 0.00 O ATOM 343 CB THR A 22 -3.929 -8.068 -7.733 1.00 0.00 C ATOM 344 OG1 THR A 22 -3.168 -7.009 -8.294 1.00 0.00 O ATOM 345 CG2 THR A 22 -4.959 -8.492 -8.760 1.00 0.00 C ATOM 0 H THR A 22 -5.772 -6.343 -7.483 1.00 0.00 H new ATOM 0 HA THR A 22 -4.828 -8.546 -5.838 1.00 0.00 H new ATOM 0 HB THR A 22 -3.296 -8.925 -7.503 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.784 -7.299 -9.148 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.456 -8.774 -9.685 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.523 -9.344 -8.380 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.640 -7.664 -8.955 1.00 0.00 H new ATOM 353 N ILE A 23 -2.931 -7.536 -4.573 1.00 0.00 N ATOM 354 CA ILE A 23 -1.931 -6.899 -3.719 1.00 0.00 C ATOM 355 C ILE A 23 -0.675 -6.534 -4.511 1.00 0.00 C ATOM 356 O ILE A 23 -0.060 -5.497 -4.265 1.00 0.00 O ATOM 357 CB ILE A 23 -1.536 -7.800 -2.529 1.00 0.00 C ATOM 358 CG1 ILE A 23 -0.642 -7.030 -1.554 1.00 0.00 C ATOM 359 CG2 ILE A 23 -0.834 -9.060 -3.017 1.00 0.00 C ATOM 360 CD1 ILE A 23 -1.415 -6.182 -0.568 1.00 0.00 C ATOM 0 H ILE A 23 -3.131 -8.508 -4.337 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.389 -5.989 -3.332 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.445 -8.098 -2.006 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.023 -7.739 -1.004 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.033 -6.389 -2.121 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.564 -9.680 -2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.502 -9.617 -3.674 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.068 -8.785 -3.565 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.718 -5.665 0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.014 -5.450 -1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.071 -6.820 0.025 1.00 0.00 H new ATOM 372 N GLU A 24 -0.295 -7.390 -5.462 1.00 0.00 N ATOM 373 CA GLU A 24 0.893 -7.145 -6.282 1.00 0.00 C ATOM 374 C GLU A 24 0.899 -5.717 -6.828 1.00 0.00 C ATOM 375 O GLU A 24 1.883 -4.992 -6.677 1.00 0.00 O ATOM 376 CB GLU A 24 0.966 -8.142 -7.443 1.00 0.00 C ATOM 377 CG GLU A 24 2.381 -8.574 -7.787 1.00 0.00 C ATOM 378 CD GLU A 24 2.610 -8.686 -9.281 1.00 0.00 C ATOM 379 OE1 GLU A 24 2.227 -9.723 -9.863 1.00 0.00 O ATOM 380 OE2 GLU A 24 3.172 -7.738 -9.869 1.00 0.00 O ATOM 0 H GLU A 24 -0.790 -8.254 -5.682 1.00 0.00 H new ATOM 0 HA GLU A 24 1.767 -7.278 -5.644 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.377 -9.024 -7.191 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.508 -7.694 -8.325 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.088 -7.858 -7.368 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.587 -9.536 -7.319 1.00 0.00 H new ATOM 387 N ASN A 25 -0.204 -5.314 -7.457 1.00 0.00 N ATOM 388 CA ASN A 25 -0.329 -3.967 -8.019 1.00 0.00 C ATOM 389 C ASN A 25 -0.548 -2.913 -6.927 1.00 0.00 C ATOM 390 O ASN A 25 -1.389 -2.026 -7.077 1.00 0.00 O ATOM 391 CB ASN A 25 -1.476 -3.913 -9.032 1.00 0.00 C ATOM 392 CG ASN A 25 -1.100 -3.156 -10.294 1.00 0.00 C ATOM 393 OD1 ASN A 25 -1.355 -1.959 -10.409 1.00 0.00 O ATOM 394 ND2 ASN A 25 -0.488 -3.852 -11.251 1.00 0.00 N ATOM 0 H ASN A 25 -1.027 -5.902 -7.591 1.00 0.00 H new ATOM 0 HA ASN A 25 0.609 -3.738 -8.524 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.772 -4.928 -9.296 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.342 -3.438 -8.571 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.213 -3.393 -12.119 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.295 -4.844 -11.116 1.00 0.00 H new ATOM 401 N VAL A 26 0.204 -3.007 -5.831 1.00 0.00 N ATOM 402 CA VAL A 26 0.070 -2.050 -4.736 1.00 0.00 C ATOM 403 C VAL A 26 0.687 -0.700 -5.100 1.00 0.00 C ATOM 404 O VAL A 26 0.140 0.349 -4.766 1.00 0.00 O ATOM 405 CB VAL A 26 0.722 -2.573 -3.436 1.00 0.00 C ATOM 406 CG1 VAL A 26 2.228 -2.721 -3.602 1.00 0.00 C ATOM 407 CG2 VAL A 26 0.397 -1.650 -2.271 1.00 0.00 C ATOM 0 H VAL A 26 0.907 -3.730 -5.679 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.999 -1.921 -4.565 1.00 0.00 H new ATOM 0 HB VAL A 26 0.310 -3.559 -3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.662 -3.090 -2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.438 -3.426 -4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.664 -1.752 -3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.863 -2.032 -1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.778 -0.651 -2.481 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.683 -1.605 -2.133 1.00 0.00 H new ATOM 417 N LYS A 27 1.831 -0.731 -5.787 1.00 0.00 N ATOM 418 CA LYS A 27 2.510 0.500 -6.191 1.00 0.00 C ATOM 419 C LYS A 27 1.579 1.394 -7.008 1.00 0.00 C ATOM 420 O LYS A 27 1.521 2.604 -6.793 1.00 0.00 O ATOM 421 CB LYS A 27 3.772 0.181 -7.001 1.00 0.00 C ATOM 422 CG LYS A 27 5.053 0.261 -6.187 1.00 0.00 C ATOM 423 CD LYS A 27 5.031 -0.710 -5.018 1.00 0.00 C ATOM 424 CE LYS A 27 5.073 -2.154 -5.493 1.00 0.00 C ATOM 425 NZ LYS A 27 6.367 -2.484 -6.151 1.00 0.00 N ATOM 0 H LYS A 27 2.303 -1.589 -6.073 1.00 0.00 H new ATOM 0 HA LYS A 27 2.798 1.034 -5.286 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.680 -0.820 -7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.840 0.874 -7.840 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.907 0.041 -6.828 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.186 1.277 -5.815 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.882 -0.515 -4.366 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.131 -0.547 -4.425 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.917 -2.820 -4.644 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.255 -2.330 -6.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.462 -3.517 -6.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.392 -2.059 -7.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.152 -2.107 -5.582 1.00 0.00 H new ATOM 439 N ALA A 28 0.848 0.792 -7.946 1.00 0.00 N ATOM 440 CA ALA A 28 -0.078 1.545 -8.789 1.00 0.00 C ATOM 441 C ALA A 28 -1.205 2.155 -7.959 1.00 0.00 C ATOM 442 O ALA A 28 -1.583 3.308 -8.165 1.00 0.00 O ATOM 443 CB ALA A 28 -0.652 0.656 -9.884 1.00 0.00 C ATOM 0 H ALA A 28 0.879 -0.209 -8.140 1.00 0.00 H new ATOM 0 HA ALA A 28 0.481 2.357 -9.255 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.339 1.236 -10.500 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.158 0.274 -10.505 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.187 -0.179 -9.432 1.00 0.00 H new ATOM 449 N LYS A 29 -1.742 1.377 -7.019 1.00 0.00 N ATOM 450 CA LYS A 29 -2.827 1.854 -6.165 1.00 0.00 C ATOM 451 C LYS A 29 -2.322 2.901 -5.174 1.00 0.00 C ATOM 452 O LYS A 29 -2.951 3.944 -4.989 1.00 0.00 O ATOM 453 CB LYS A 29 -3.470 0.689 -5.407 1.00 0.00 C ATOM 454 CG LYS A 29 -4.265 -0.251 -6.299 1.00 0.00 C ATOM 455 CD LYS A 29 -5.535 -0.730 -5.614 1.00 0.00 C ATOM 456 CE LYS A 29 -5.221 -1.533 -4.361 1.00 0.00 C ATOM 457 NZ LYS A 29 -4.605 -2.849 -4.684 1.00 0.00 N ATOM 0 H LYS A 29 -1.445 0.420 -6.831 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.577 2.315 -6.807 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.690 0.122 -4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.128 1.088 -4.635 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.522 0.258 -7.228 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.648 -1.109 -6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.155 0.128 -5.352 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.114 -1.343 -6.305 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.545 -0.962 -3.724 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.137 -1.691 -3.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.531 -3.420 -3.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.197 -3.348 -5.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.656 -2.700 -5.082 1.00 0.00 H new ATOM 471 N ILE A 30 -1.185 2.622 -4.539 1.00 0.00 N ATOM 472 CA ILE A 30 -0.607 3.550 -3.571 1.00 0.00 C ATOM 473 C ILE A 30 -0.056 4.800 -4.261 1.00 0.00 C ATOM 474 O ILE A 30 -0.155 5.905 -3.726 1.00 0.00 O ATOM 475 CB ILE A 30 0.511 2.888 -2.739 1.00 0.00 C ATOM 476 CG1 ILE A 30 0.913 3.794 -1.575 1.00 0.00 C ATOM 477 CG2 ILE A 30 1.717 2.567 -3.612 1.00 0.00 C ATOM 478 CD1 ILE A 30 -0.174 3.960 -0.535 1.00 0.00 C ATOM 0 H ILE A 30 -0.649 1.765 -4.677 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.414 3.840 -2.898 1.00 0.00 H new ATOM 0 HB ILE A 30 0.130 1.951 -2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.803 3.384 -1.097 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.184 4.775 -1.965 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.493 2.101 -3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.419 1.883 -4.407 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.104 3.487 -4.051 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.181 4.615 0.261 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.058 4.398 -0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.429 2.986 -0.117 1.00 0.00 H new ATOM 490 N GLN A 31 0.518 4.625 -5.453 1.00 0.00 N ATOM 491 CA GLN A 31 1.071 5.750 -6.206 1.00 0.00 C ATOM 492 C GLN A 31 -0.007 6.796 -6.504 1.00 0.00 C ATOM 493 O GLN A 31 0.303 7.971 -6.706 1.00 0.00 O ATOM 494 CB GLN A 31 1.702 5.267 -7.516 1.00 0.00 C ATOM 495 CG GLN A 31 2.313 6.383 -8.347 1.00 0.00 C ATOM 496 CD GLN A 31 1.408 6.827 -9.482 1.00 0.00 C ATOM 497 OE1 GLN A 31 0.823 5.999 -10.182 1.00 0.00 O ATOM 498 NE2 GLN A 31 1.285 8.139 -9.675 1.00 0.00 N ATOM 0 H GLN A 31 0.611 3.720 -5.915 1.00 0.00 H new ATOM 0 HA GLN A 31 1.843 6.212 -5.590 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.473 4.532 -7.288 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.942 4.758 -8.109 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.527 7.236 -7.703 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.265 6.046 -8.757 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.786 8.792 -9.073 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.689 8.491 -10.425 1.00 0.00 H new ATOM 507 N ASP A 32 -1.273 6.368 -6.530 1.00 0.00 N ATOM 508 CA ASP A 32 -2.387 7.277 -6.804 1.00 0.00 C ATOM 509 C ASP A 32 -2.342 8.525 -5.914 1.00 0.00 C ATOM 510 O ASP A 32 -2.875 9.570 -6.286 1.00 0.00 O ATOM 511 CB ASP A 32 -3.725 6.558 -6.610 1.00 0.00 C ATOM 512 CG ASP A 32 -4.784 7.033 -7.584 1.00 0.00 C ATOM 513 OD1 ASP A 32 -5.133 8.233 -7.545 1.00 0.00 O ATOM 514 OD2 ASP A 32 -5.266 6.207 -8.388 1.00 0.00 O ATOM 0 H ASP A 32 -1.550 5.400 -6.365 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.290 7.598 -7.841 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.578 5.485 -6.732 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.075 6.718 -5.590 1.00 0.00 H new ATOM 519 N LYS A 33 -1.710 8.423 -4.741 1.00 0.00 N ATOM 520 CA LYS A 33 -1.622 9.564 -3.834 1.00 0.00 C ATOM 521 C LYS A 33 -0.608 10.581 -4.349 1.00 0.00 C ATOM 522 O LYS A 33 -0.835 11.788 -4.270 1.00 0.00 O ATOM 523 CB LYS A 33 -1.237 9.107 -2.422 1.00 0.00 C ATOM 524 CG LYS A 33 -2.165 9.634 -1.339 1.00 0.00 C ATOM 525 CD LYS A 33 -2.067 11.145 -1.207 1.00 0.00 C ATOM 526 CE LYS A 33 -0.923 11.553 -0.293 1.00 0.00 C ATOM 527 NZ LYS A 33 -1.312 12.664 0.620 1.00 0.00 N ATOM 0 H LYS A 33 -1.258 7.573 -4.403 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.603 10.037 -3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.235 8.017 -2.389 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.219 9.434 -2.208 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.193 9.354 -1.571 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.915 9.168 -0.386 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.922 11.588 -2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.005 11.538 -0.815 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.605 10.693 0.296 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.068 11.860 -0.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.505 12.913 1.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.592 13.493 0.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.111 12.362 1.213 1.00 0.00 H new ATOM 541 N GLU A 34 0.512 10.090 -4.881 1.00 0.00 N ATOM 542 CA GLU A 34 1.552 10.972 -5.410 1.00 0.00 C ATOM 543 C GLU A 34 2.769 10.179 -5.885 1.00 0.00 C ATOM 544 O GLU A 34 3.374 10.507 -6.906 1.00 0.00 O ATOM 545 CB GLU A 34 1.982 11.988 -4.349 1.00 0.00 C ATOM 546 CG GLU A 34 2.263 11.366 -2.990 1.00 0.00 C ATOM 547 CD GLU A 34 2.668 12.394 -1.953 1.00 0.00 C ATOM 548 OE1 GLU A 34 2.053 13.480 -1.920 1.00 0.00 O ATOM 549 OE2 GLU A 34 3.601 12.113 -1.171 1.00 0.00 O ATOM 0 H GLU A 34 0.721 9.095 -4.957 1.00 0.00 H new ATOM 0 HA GLU A 34 1.131 11.499 -6.266 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.877 12.505 -4.695 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.201 12.740 -4.241 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.374 10.838 -2.645 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.056 10.624 -3.090 1.00 0.00 H new ATOM 556 N GLY A 35 3.130 9.137 -5.137 1.00 0.00 N ATOM 557 CA GLY A 35 4.275 8.330 -5.499 1.00 0.00 C ATOM 558 C GLY A 35 5.193 8.096 -4.317 1.00 0.00 C ATOM 559 O GLY A 35 6.200 8.782 -4.167 1.00 0.00 O ATOM 0 H GLY A 35 2.648 8.841 -4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.935 7.371 -5.891 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.829 8.823 -6.298 1.00 0.00 H new ATOM 563 N ILE A 36 4.830 7.136 -3.468 1.00 0.00 N ATOM 564 CA ILE A 36 5.622 6.822 -2.275 1.00 0.00 C ATOM 565 C ILE A 36 6.862 5.992 -2.624 1.00 0.00 C ATOM 566 O ILE A 36 6.759 4.805 -2.936 1.00 0.00 O ATOM 567 CB ILE A 36 4.778 6.055 -1.233 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.585 5.817 0.044 1.00 0.00 C ATOM 569 CG2 ILE A 36 4.289 4.732 -1.810 1.00 0.00 C ATOM 570 CD1 ILE A 36 4.819 5.069 1.112 1.00 0.00 C ATOM 0 H ILE A 36 3.995 6.562 -3.582 1.00 0.00 H new ATOM 0 HA ILE A 36 5.942 7.774 -1.851 1.00 0.00 H new ATOM 0 HB ILE A 36 3.909 6.663 -0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.487 5.257 -0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.907 6.778 0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.696 4.206 -1.062 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.675 4.924 -2.690 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.145 4.119 -2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.453 4.936 1.989 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.931 5.638 1.389 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.520 4.093 0.729 1.00 0.00 H new ATOM 582 N PRO A 37 8.060 6.617 -2.593 1.00 0.00 N ATOM 583 CA PRO A 37 9.325 5.943 -2.925 1.00 0.00 C ATOM 584 C PRO A 37 9.779 4.871 -1.917 1.00 0.00 C ATOM 585 O PRO A 37 10.377 3.873 -2.321 1.00 0.00 O ATOM 586 CB PRO A 37 10.353 7.086 -2.962 1.00 0.00 C ATOM 587 CG PRO A 37 9.551 8.344 -2.998 1.00 0.00 C ATOM 588 CD PRO A 37 8.282 8.038 -2.264 1.00 0.00 C ATOM 0 HA PRO A 37 9.212 5.392 -3.859 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.001 7.059 -2.086 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.997 7.006 -3.838 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.089 9.165 -2.524 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.346 8.648 -4.024 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.386 8.195 -1.190 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.457 8.666 -2.600 1.00 0.00 H new ATOM 596 N PRO A 38 9.547 5.051 -0.598 1.00 0.00 N ATOM 597 CA PRO A 38 9.993 4.074 0.404 1.00 0.00 C ATOM 598 C PRO A 38 9.384 2.686 0.211 1.00 0.00 C ATOM 599 O PRO A 38 8.181 2.493 0.380 1.00 0.00 O ATOM 600 CB PRO A 38 9.557 4.675 1.745 1.00 0.00 C ATOM 601 CG PRO A 38 8.550 5.720 1.411 1.00 0.00 C ATOM 602 CD PRO A 38 8.875 6.204 0.026 1.00 0.00 C ATOM 0 HA PRO A 38 11.068 3.912 0.332 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.128 3.912 2.395 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.406 5.105 2.276 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.540 5.312 1.451 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.591 6.540 2.127 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.975 6.487 -0.521 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.523 7.080 0.050 1.00 0.00 H new ATOM 610 N ASP A 39 10.241 1.719 -0.131 1.00 0.00 N ATOM 611 CA ASP A 39 9.820 0.332 -0.333 1.00 0.00 C ATOM 612 C ASP A 39 9.426 -0.357 0.981 1.00 0.00 C ATOM 613 O ASP A 39 9.147 -1.556 0.988 1.00 0.00 O ATOM 614 CB ASP A 39 10.932 -0.468 -1.018 1.00 0.00 C ATOM 615 CG ASP A 39 12.185 -0.562 -0.169 1.00 0.00 C ATOM 616 OD1 ASP A 39 12.736 0.498 0.193 1.00 0.00 O ATOM 617 OD2 ASP A 39 12.612 -1.696 0.133 1.00 0.00 O ATOM 0 H ASP A 39 11.239 1.875 -0.274 1.00 0.00 H new ATOM 0 HA ASP A 39 8.937 0.359 -0.971 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.570 -1.472 -1.239 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.177 -0.001 -1.972 1.00 0.00 H new ATOM 622 N GLN A 40 9.403 0.385 2.095 1.00 0.00 N ATOM 623 CA GLN A 40 9.042 -0.197 3.382 1.00 0.00 C ATOM 624 C GLN A 40 7.535 -0.108 3.632 1.00 0.00 C ATOM 625 O GLN A 40 7.067 -0.413 4.730 1.00 0.00 O ATOM 626 CB GLN A 40 9.793 0.509 4.515 1.00 0.00 C ATOM 627 CG GLN A 40 11.282 0.666 4.253 1.00 0.00 C ATOM 628 CD GLN A 40 11.918 1.732 5.127 1.00 0.00 C ATOM 629 OE1 GLN A 40 11.558 1.886 6.294 1.00 0.00 O ATOM 630 NE2 GLN A 40 12.869 2.479 4.568 1.00 0.00 N ATOM 0 H GLN A 40 9.629 1.379 2.126 1.00 0.00 H new ATOM 0 HA GLN A 40 9.325 -1.249 3.359 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.354 1.494 4.672 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.652 -0.053 5.438 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.781 -0.287 4.428 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.438 0.920 3.205 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.138 2.319 3.597 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.328 3.211 5.111 1.00 0.00 H new ATOM 639 N GLN A 41 6.772 0.297 2.614 1.00 0.00 N ATOM 640 CA GLN A 41 5.322 0.401 2.753 1.00 0.00 C ATOM 641 C GLN A 41 4.667 -0.963 2.547 1.00 0.00 C ATOM 642 O GLN A 41 4.478 -1.406 1.415 1.00 0.00 O ATOM 643 CB GLN A 41 4.751 1.411 1.753 1.00 0.00 C ATOM 644 CG GLN A 41 5.097 1.101 0.305 1.00 0.00 C ATOM 645 CD GLN A 41 3.873 1.039 -0.591 1.00 0.00 C ATOM 646 OE1 GLN A 41 3.543 2.008 -1.273 1.00 0.00 O ATOM 647 NE2 GLN A 41 3.190 -0.104 -0.596 1.00 0.00 N ATOM 0 H GLN A 41 7.131 0.555 1.695 1.00 0.00 H new ATOM 0 HA GLN A 41 5.103 0.750 3.762 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.667 1.441 1.860 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.123 2.405 2.001 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.780 1.863 -0.072 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.625 0.149 0.258 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.497 -0.884 -0.015 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.359 -0.199 -1.180 1.00 0.00 H new ATOM 656 N ARG A 42 4.332 -1.632 3.651 1.00 0.00 N ATOM 657 CA ARG A 42 3.709 -2.950 3.585 1.00 0.00 C ATOM 658 C ARG A 42 2.513 -3.037 4.530 1.00 0.00 C ATOM 659 O ARG A 42 2.298 -2.150 5.356 1.00 0.00 O ATOM 660 CB ARG A 42 4.732 -4.030 3.943 1.00 0.00 C ATOM 661 CG ARG A 42 4.524 -5.342 3.204 1.00 0.00 C ATOM 662 CD ARG A 42 5.812 -6.147 3.119 1.00 0.00 C ATOM 663 NE ARG A 42 5.682 -7.458 3.750 1.00 0.00 N ATOM 664 CZ ARG A 42 5.673 -7.649 5.068 1.00 0.00 C ATOM 665 NH1 ARG A 42 5.794 -6.618 5.896 1.00 0.00 N ATOM 666 NH2 ARG A 42 5.544 -8.873 5.561 1.00 0.00 N ATOM 0 H ARG A 42 4.482 -1.282 4.597 1.00 0.00 H new ATOM 0 HA ARG A 42 3.355 -3.109 2.566 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.732 -3.656 3.725 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.688 -4.217 5.016 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.760 -5.930 3.713 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.154 -5.139 2.199 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.091 -6.274 2.073 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.618 -5.592 3.599 1.00 0.00 H new ATOM 0 HE ARG A 42 5.593 -8.275 3.146 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.894 -5.674 5.523 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.786 -6.770 6.905 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.452 -9.670 4.931 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.537 -9.018 6.571 1.00 0.00 H new ATOM 680 N LEU A 43 1.736 -4.113 4.406 1.00 0.00 N ATOM 681 CA LEU A 43 0.566 -4.309 5.254 1.00 0.00 C ATOM 682 C LEU A 43 0.892 -5.240 6.422 1.00 0.00 C ATOM 683 O LEU A 43 1.616 -6.221 6.259 1.00 0.00 O ATOM 684 CB LEU A 43 -0.596 -4.878 4.435 1.00 0.00 C ATOM 685 CG LEU A 43 -1.917 -4.120 4.573 1.00 0.00 C ATOM 686 CD1 LEU A 43 -2.499 -4.310 5.965 1.00 0.00 C ATOM 687 CD2 LEU A 43 -1.718 -2.641 4.269 1.00 0.00 C ATOM 0 H LEU A 43 1.897 -4.858 3.728 1.00 0.00 H new ATOM 0 HA LEU A 43 0.272 -3.340 5.658 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.309 -4.888 3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.757 -5.914 4.732 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.624 -4.525 3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.439 -3.763 6.044 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.680 -5.370 6.142 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.796 -3.933 6.708 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.668 -2.117 4.372 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.994 -2.220 4.967 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.349 -2.525 3.250 1.00 0.00 H new ATOM 699 N ILE A 44 0.355 -4.927 7.600 1.00 0.00 N ATOM 700 CA ILE A 44 0.596 -5.738 8.787 1.00 0.00 C ATOM 701 C ILE A 44 -0.653 -6.531 9.175 1.00 0.00 C ATOM 702 O ILE A 44 -1.237 -6.308 10.236 1.00 0.00 O ATOM 703 CB ILE A 44 1.040 -4.865 9.980 1.00 0.00 C ATOM 704 CG1 ILE A 44 1.362 -5.742 11.193 1.00 0.00 C ATOM 705 CG2 ILE A 44 -0.037 -3.845 10.324 1.00 0.00 C ATOM 706 CD1 ILE A 44 2.500 -5.209 12.037 1.00 0.00 C ATOM 0 H ILE A 44 -0.248 -4.119 7.756 1.00 0.00 H new ATOM 0 HA ILE A 44 1.398 -6.435 8.542 1.00 0.00 H new ATOM 0 HB ILE A 44 1.944 -4.325 9.697 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.471 -5.832 11.814 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.614 -6.745 10.850 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.293 -3.238 11.167 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.217 -3.202 9.463 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.958 -4.364 10.589 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.674 -5.879 12.879 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.404 -5.146 11.431 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.243 -4.218 12.410 1.00 0.00 H new ATOM 718 N PHE A 45 -1.061 -7.460 8.311 1.00 0.00 N ATOM 719 CA PHE A 45 -2.240 -8.279 8.576 1.00 0.00 C ATOM 720 C PHE A 45 -2.122 -9.650 7.911 1.00 0.00 C ATOM 721 O PHE A 45 -1.982 -9.748 6.692 1.00 0.00 O ATOM 722 CB PHE A 45 -3.501 -7.567 8.084 1.00 0.00 C ATOM 723 CG PHE A 45 -4.676 -7.723 9.007 1.00 0.00 C ATOM 724 CD1 PHE A 45 -5.276 -8.961 9.182 1.00 0.00 C ATOM 725 CD2 PHE A 45 -5.179 -6.634 9.699 1.00 0.00 C ATOM 726 CE1 PHE A 45 -6.357 -9.108 10.031 1.00 0.00 C ATOM 727 CE2 PHE A 45 -6.260 -6.776 10.550 1.00 0.00 C ATOM 728 CZ PHE A 45 -6.849 -8.014 10.716 1.00 0.00 C ATOM 0 H PHE A 45 -0.595 -7.663 7.427 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.309 -8.428 9.654 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.285 -6.506 7.960 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.767 -7.955 7.101 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.895 -9.820 8.649 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.722 -5.663 9.573 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.816 -10.077 10.159 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.643 -5.919 11.084 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.693 -8.127 11.380 1.00 0.00 H new ATOM 738 N ALA A 46 -2.182 -10.708 8.719 1.00 0.00 N ATOM 739 CA ALA A 46 -2.084 -12.070 8.205 1.00 0.00 C ATOM 740 C ALA A 46 -0.748 -12.317 7.503 1.00 0.00 C ATOM 741 O ALA A 46 -0.652 -13.185 6.635 1.00 0.00 O ATOM 742 CB ALA A 46 -3.239 -12.355 7.257 1.00 0.00 C ATOM 0 H ALA A 46 -2.298 -10.646 9.731 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.139 -12.751 9.055 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.156 -13.374 6.879 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.183 -12.241 7.789 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.206 -11.655 6.422 1.00 0.00 H new ATOM 748 N GLY A 47 0.287 -11.558 7.880 1.00 0.00 N ATOM 749 CA GLY A 47 1.597 -11.727 7.270 1.00 0.00 C ATOM 750 C GLY A 47 1.537 -11.849 5.757 1.00 0.00 C ATOM 751 O GLY A 47 2.027 -12.825 5.190 1.00 0.00 O ATOM 0 H GLY A 47 0.238 -10.832 8.595 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.227 -10.878 7.536 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.071 -12.618 7.682 1.00 0.00 H new ATOM 755 N LYS A 48 0.934 -10.860 5.099 1.00 0.00 N ATOM 756 CA LYS A 48 0.818 -10.875 3.644 1.00 0.00 C ATOM 757 C LYS A 48 1.849 -9.947 3.004 1.00 0.00 C ATOM 758 O LYS A 48 2.041 -8.817 3.452 1.00 0.00 O ATOM 759 CB LYS A 48 -0.592 -10.462 3.219 1.00 0.00 C ATOM 760 CG LYS A 48 -0.934 -9.019 3.558 1.00 0.00 C ATOM 761 CD LYS A 48 -2.243 -8.592 2.915 1.00 0.00 C ATOM 762 CE LYS A 48 -2.106 -8.458 1.407 1.00 0.00 C ATOM 763 NZ LYS A 48 -2.627 -9.657 0.693 1.00 0.00 N ATOM 0 H LYS A 48 0.521 -10.043 5.548 1.00 0.00 H new ATOM 0 HA LYS A 48 1.010 -11.892 3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.695 -10.608 2.144 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.315 -11.120 3.701 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.004 -8.905 4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.131 -8.364 3.220 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.019 -9.322 3.147 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.564 -7.640 3.338 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.645 -7.572 1.071 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.057 -8.309 1.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.990 -9.897 -0.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.680 -10.459 1.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.576 -9.453 0.319 1.00 0.00 H new ATOM 777 N GLN A 49 2.510 -10.430 1.953 1.00 0.00 N ATOM 778 CA GLN A 49 3.517 -9.634 1.257 1.00 0.00 C ATOM 779 C GLN A 49 2.881 -8.806 0.142 1.00 0.00 C ATOM 780 O GLN A 49 1.833 -9.172 -0.391 1.00 0.00 O ATOM 781 CB GLN A 49 4.611 -10.537 0.681 1.00 0.00 C ATOM 782 CG GLN A 49 5.840 -10.643 1.568 1.00 0.00 C ATOM 783 CD GLN A 49 6.939 -9.676 1.162 1.00 0.00 C ATOM 784 OE1 GLN A 49 7.078 -9.342 -0.015 1.00 0.00 O ATOM 785 NE2 GLN A 49 7.728 -9.220 2.133 1.00 0.00 N ATOM 0 H GLN A 49 2.367 -11.363 1.567 1.00 0.00 H new ATOM 0 HA GLN A 49 3.967 -8.953 1.980 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.201 -11.534 0.521 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.909 -10.155 -0.295 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.555 -10.450 2.602 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.225 -11.662 1.529 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.579 -9.522 3.096 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.482 -8.569 1.914 1.00 0.00 H new ATOM 794 N LEU A 50 3.517 -7.690 -0.207 1.00 0.00 N ATOM 795 CA LEU A 50 3.003 -6.819 -1.262 1.00 0.00 C ATOM 796 C LEU A 50 3.132 -7.482 -2.633 1.00 0.00 C ATOM 797 O LEU A 50 2.236 -7.368 -3.470 1.00 0.00 O ATOM 798 CB LEU A 50 3.738 -5.473 -1.261 1.00 0.00 C ATOM 799 CG LEU A 50 5.237 -5.547 -1.560 1.00 0.00 C ATOM 800 CD1 LEU A 50 5.488 -5.508 -3.060 1.00 0.00 C ATOM 801 CD2 LEU A 50 5.973 -4.412 -0.864 1.00 0.00 C ATOM 0 H LEU A 50 4.385 -7.368 0.222 1.00 0.00 H new ATOM 0 HA LEU A 50 1.946 -6.643 -1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.269 -4.821 -1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.601 -5.004 -0.287 1.00 0.00 H new ATOM 0 HG LEU A 50 5.619 -6.493 -1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.560 -5.562 -3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.992 -6.355 -3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.092 -4.579 -3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.038 -4.479 -1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.587 -3.456 -1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.822 -4.487 0.213 1.00 0.00 H new ATOM 813 N GLU A 51 4.247 -8.179 -2.862 1.00 0.00 N ATOM 814 CA GLU A 51 4.477 -8.856 -4.136 1.00 0.00 C ATOM 815 C GLU A 51 3.936 -10.293 -4.135 1.00 0.00 C ATOM 816 O GLU A 51 4.228 -11.064 -5.049 1.00 0.00 O ATOM 817 CB GLU A 51 5.972 -8.864 -4.470 1.00 0.00 C ATOM 818 CG GLU A 51 6.346 -7.922 -5.604 1.00 0.00 C ATOM 819 CD GLU A 51 6.554 -8.648 -6.919 1.00 0.00 C ATOM 820 OE1 GLU A 51 7.693 -9.087 -7.181 1.00 0.00 O ATOM 821 OE2 GLU A 51 5.576 -8.778 -7.686 1.00 0.00 O ATOM 0 H GLU A 51 5.001 -8.288 -2.184 1.00 0.00 H new ATOM 0 HA GLU A 51 3.934 -8.299 -4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.537 -8.589 -3.579 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.271 -9.878 -4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.561 -7.175 -5.725 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.258 -7.386 -5.341 1.00 0.00 H new ATOM 828 N ASP A 52 3.153 -10.660 -3.113 1.00 0.00 N ATOM 829 CA ASP A 52 2.593 -12.011 -3.026 1.00 0.00 C ATOM 830 C ASP A 52 1.979 -12.442 -4.359 1.00 0.00 C ATOM 831 O ASP A 52 2.206 -13.559 -4.823 1.00 0.00 O ATOM 832 CB ASP A 52 1.535 -12.084 -1.921 1.00 0.00 C ATOM 833 CG ASP A 52 1.482 -13.450 -1.263 1.00 0.00 C ATOM 834 OD1 ASP A 52 1.695 -14.457 -1.969 1.00 0.00 O ATOM 835 OD2 ASP A 52 1.228 -13.510 -0.042 1.00 0.00 O ATOM 0 H ASP A 52 2.895 -10.045 -2.341 1.00 0.00 H new ATOM 0 HA ASP A 52 3.409 -12.692 -2.785 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.749 -11.328 -1.166 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.557 -11.847 -2.341 1.00 0.00 H new ATOM 840 N GLY A 53 1.202 -11.550 -4.971 1.00 0.00 N ATOM 841 CA GLY A 53 0.575 -11.865 -6.242 1.00 0.00 C ATOM 842 C GLY A 53 -0.867 -12.336 -6.102 1.00 0.00 C ATOM 843 O GLY A 53 -1.471 -12.777 -7.079 1.00 0.00 O ATOM 0 H GLY A 53 0.997 -10.618 -4.610 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.601 -10.982 -6.881 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.156 -12.639 -6.744 1.00 0.00 H new ATOM 847 N ARG A 54 -1.427 -12.246 -4.892 1.00 0.00 N ATOM 848 CA ARG A 54 -2.802 -12.670 -4.660 1.00 0.00 C ATOM 849 C ARG A 54 -3.715 -11.460 -4.466 1.00 0.00 C ATOM 850 O ARG A 54 -3.268 -10.317 -4.556 1.00 0.00 O ATOM 851 CB ARG A 54 -2.879 -13.584 -3.437 1.00 0.00 C ATOM 852 CG ARG A 54 -1.789 -14.642 -3.395 1.00 0.00 C ATOM 853 CD ARG A 54 -2.158 -15.861 -4.228 1.00 0.00 C ATOM 854 NE ARG A 54 -3.324 -16.561 -3.692 1.00 0.00 N ATOM 855 CZ ARG A 54 -4.575 -16.359 -4.110 1.00 0.00 C ATOM 856 NH1 ARG A 54 -4.833 -15.470 -5.062 1.00 0.00 N ATOM 857 NH2 ARG A 54 -5.572 -17.045 -3.569 1.00 0.00 N ATOM 0 H ARG A 54 -0.949 -11.885 -4.066 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.139 -13.223 -5.536 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.817 -12.975 -2.535 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.851 -14.076 -3.423 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.855 -14.218 -3.764 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.615 -14.945 -2.363 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.361 -15.551 -5.253 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.310 -16.545 -4.264 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.172 -17.247 -2.952 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.072 -14.935 -5.480 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.792 -15.322 -5.375 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.382 -17.726 -2.834 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.529 -16.891 -3.888 1.00 0.00 H new ATOM 871 N THR A 55 -4.994 -11.715 -4.196 1.00 0.00 N ATOM 872 CA THR A 55 -5.955 -10.638 -3.989 1.00 0.00 C ATOM 873 C THR A 55 -6.185 -10.399 -2.500 1.00 0.00 C ATOM 874 O THR A 55 -6.080 -11.320 -1.692 1.00 0.00 O ATOM 875 CB THR A 55 -7.281 -10.965 -4.679 1.00 0.00 C ATOM 876 OG1 THR A 55 -8.203 -9.902 -4.519 1.00 0.00 O ATOM 877 CG2 THR A 55 -7.936 -12.224 -4.152 1.00 0.00 C ATOM 0 H THR A 55 -5.386 -12.653 -4.116 1.00 0.00 H new ATOM 0 HA THR A 55 -5.545 -9.728 -4.427 1.00 0.00 H new ATOM 0 HB THR A 55 -7.031 -11.118 -5.729 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.725 -9.047 -4.553 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.871 -12.398 -4.684 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.269 -13.072 -4.305 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.140 -12.110 -3.087 1.00 0.00 H new ATOM 885 N LEU A 56 -6.503 -9.158 -2.139 1.00 0.00 N ATOM 886 CA LEU A 56 -6.750 -8.813 -0.741 1.00 0.00 C ATOM 887 C LEU A 56 -7.939 -9.601 -0.191 1.00 0.00 C ATOM 888 O LEU A 56 -7.917 -10.055 0.953 1.00 0.00 O ATOM 889 CB LEU A 56 -7.006 -7.309 -0.596 1.00 0.00 C ATOM 890 CG LEU A 56 -5.756 -6.429 -0.687 1.00 0.00 C ATOM 891 CD1 LEU A 56 -6.001 -5.243 -1.610 1.00 0.00 C ATOM 892 CD2 LEU A 56 -5.338 -5.951 0.695 1.00 0.00 C ATOM 0 H LEU A 56 -6.595 -8.379 -2.791 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.862 -9.076 -0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.708 -6.999 -1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.490 -7.129 0.364 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.946 -7.027 -1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.101 -4.630 -1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.252 -5.604 -2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.826 -4.645 -1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.448 -5.327 0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.147 -5.371 1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.119 -6.812 1.327 1.00 0.00 H new ATOM 904 N SER A 57 -8.979 -9.760 -1.011 1.00 0.00 N ATOM 905 CA SER A 57 -10.175 -10.492 -0.597 1.00 0.00 C ATOM 906 C SER A 57 -9.844 -11.931 -0.191 1.00 0.00 C ATOM 907 O SER A 57 -10.501 -12.496 0.683 1.00 0.00 O ATOM 908 CB SER A 57 -11.217 -10.498 -1.720 1.00 0.00 C ATOM 909 OG SER A 57 -12.207 -11.486 -1.495 1.00 0.00 O ATOM 0 H SER A 57 -9.017 -9.393 -1.962 1.00 0.00 H new ATOM 0 HA SER A 57 -10.585 -9.979 0.273 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.687 -9.517 -1.788 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.725 -10.683 -2.675 1.00 0.00 H new ATOM 0 HG SER A 57 -12.860 -11.467 -2.226 1.00 0.00 H new ATOM 915 N ASP A 58 -8.830 -12.527 -0.825 1.00 0.00 N ATOM 916 CA ASP A 58 -8.446 -13.903 -0.511 1.00 0.00 C ATOM 917 C ASP A 58 -8.180 -14.083 0.986 1.00 0.00 C ATOM 918 O ASP A 58 -8.475 -15.136 1.550 1.00 0.00 O ATOM 919 CB ASP A 58 -7.206 -14.318 -1.310 1.00 0.00 C ATOM 920 CG ASP A 58 -7.563 -15.035 -2.598 1.00 0.00 C ATOM 921 OD1 ASP A 58 -8.528 -15.826 -2.588 1.00 0.00 O ATOM 922 OD2 ASP A 58 -6.876 -14.804 -3.615 1.00 0.00 O ATOM 0 H ASP A 58 -8.267 -12.083 -1.550 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.282 -14.544 -0.791 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.613 -13.433 -1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.582 -14.968 -0.696 1.00 0.00 H new ATOM 927 N TYR A 59 -7.627 -13.054 1.630 1.00 0.00 N ATOM 928 CA TYR A 59 -7.334 -13.123 3.060 1.00 0.00 C ATOM 929 C TYR A 59 -8.358 -12.332 3.879 1.00 0.00 C ATOM 930 O TYR A 59 -8.027 -11.783 4.930 1.00 0.00 O ATOM 931 CB TYR A 59 -5.926 -12.596 3.336 1.00 0.00 C ATOM 932 CG TYR A 59 -4.845 -13.638 3.154 1.00 0.00 C ATOM 933 CD1 TYR A 59 -4.755 -14.376 1.980 1.00 0.00 C ATOM 934 CD2 TYR A 59 -3.914 -13.883 4.156 1.00 0.00 C ATOM 935 CE1 TYR A 59 -3.769 -15.329 1.810 1.00 0.00 C ATOM 936 CE2 TYR A 59 -2.924 -14.833 3.992 1.00 0.00 C ATOM 937 CZ TYR A 59 -2.856 -15.554 2.818 1.00 0.00 C ATOM 938 OH TYR A 59 -1.873 -16.502 2.653 1.00 0.00 O ATOM 0 H TYR A 59 -7.375 -12.170 1.187 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.394 -14.168 3.363 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.725 -11.755 2.672 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.883 -12.214 4.356 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.468 -14.202 1.187 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.965 -13.322 5.078 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.714 -15.895 0.892 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.207 -15.010 4.780 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.312 -16.535 3.456 1.00 0.00 H new ATOM 948 N ASN A 60 -9.603 -12.277 3.397 1.00 0.00 N ATOM 949 CA ASN A 60 -10.667 -11.556 4.092 1.00 0.00 C ATOM 950 C ASN A 60 -10.409 -10.045 4.147 1.00 0.00 C ATOM 951 O ASN A 60 -11.070 -9.332 4.901 1.00 0.00 O ATOM 952 CB ASN A 60 -10.832 -12.104 5.512 1.00 0.00 C ATOM 953 CG ASN A 60 -12.290 -12.262 5.907 1.00 0.00 C ATOM 954 OD1 ASN A 60 -13.138 -11.458 5.521 1.00 0.00 O ATOM 955 ND2 ASN A 60 -12.592 -13.302 6.683 1.00 0.00 N ATOM 0 H ASN A 60 -9.896 -12.724 2.528 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.585 -11.712 3.525 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.332 -13.070 5.586 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.338 -11.434 6.216 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.556 -13.455 6.979 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.859 -13.946 6.981 1.00 0.00 H new ATOM 962 N ILE A 61 -9.460 -9.550 3.347 1.00 0.00 N ATOM 963 CA ILE A 61 -9.157 -8.123 3.329 1.00 0.00 C ATOM 964 C ILE A 61 -10.014 -7.399 2.291 1.00 0.00 C ATOM 965 O ILE A 61 -9.505 -6.924 1.275 1.00 0.00 O ATOM 966 CB ILE A 61 -7.666 -7.864 3.035 1.00 0.00 C ATOM 967 CG1 ILE A 61 -6.789 -8.686 3.981 1.00 0.00 C ATOM 968 CG2 ILE A 61 -7.349 -6.381 3.164 1.00 0.00 C ATOM 969 CD1 ILE A 61 -5.310 -8.571 3.688 1.00 0.00 C ATOM 0 H ILE A 61 -8.895 -10.113 2.711 1.00 0.00 H new ATOM 0 HA ILE A 61 -9.387 -7.734 4.321 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.454 -8.172 2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.974 -8.364 5.006 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.083 -9.734 3.918 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.292 -6.215 2.953 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.954 -5.817 2.454 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.574 -6.048 4.177 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.750 -9.180 4.398 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.112 -8.920 2.675 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.001 -7.530 3.780 1.00 0.00 H new ATOM 981 N GLN A 62 -11.320 -7.323 2.545 1.00 0.00 N ATOM 982 CA GLN A 62 -12.238 -6.664 1.623 1.00 0.00 C ATOM 983 C GLN A 62 -12.552 -5.239 2.080 1.00 0.00 C ATOM 984 O GLN A 62 -12.024 -4.773 3.090 1.00 0.00 O ATOM 985 CB GLN A 62 -13.530 -7.474 1.496 1.00 0.00 C ATOM 986 CG GLN A 62 -14.358 -7.507 2.770 1.00 0.00 C ATOM 987 CD GLN A 62 -15.734 -8.112 2.557 1.00 0.00 C ATOM 988 OE1 GLN A 62 -16.035 -8.626 1.480 1.00 0.00 O ATOM 989 NE2 GLN A 62 -16.580 -8.056 3.583 1.00 0.00 N ATOM 0 H GLN A 62 -11.763 -7.709 3.379 1.00 0.00 H new ATOM 0 HA GLN A 62 -11.755 -6.607 0.648 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -14.134 -7.054 0.691 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -13.281 -8.495 1.208 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.827 -8.081 3.529 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.467 -6.493 3.155 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -16.291 -7.621 4.459 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -17.517 -8.448 3.493 1.00 0.00 H new ATOM 998 N LYS A 63 -13.409 -4.549 1.328 1.00 0.00 N ATOM 999 CA LYS A 63 -13.786 -3.174 1.658 1.00 0.00 C ATOM 1000 C LYS A 63 -14.175 -3.040 3.131 1.00 0.00 C ATOM 1001 O LYS A 63 -14.745 -3.960 3.719 1.00 0.00 O ATOM 1002 CB LYS A 63 -14.946 -2.703 0.773 1.00 0.00 C ATOM 1003 CG LYS A 63 -16.102 -3.689 0.707 1.00 0.00 C ATOM 1004 CD LYS A 63 -16.139 -4.420 -0.629 1.00 0.00 C ATOM 1005 CE LYS A 63 -16.200 -5.929 -0.441 1.00 0.00 C ATOM 1006 NZ LYS A 63 -17.554 -6.470 -0.739 1.00 0.00 N ATOM 0 H LYS A 63 -13.855 -4.918 0.488 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.916 -2.545 1.473 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -15.315 -1.749 1.149 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.573 -2.525 -0.236 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.010 -4.413 1.516 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -17.042 -3.159 0.859 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -17.005 -4.089 -1.202 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.254 -4.161 -1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.467 -6.406 -1.092 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.927 -6.179 0.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -17.555 -7.501 -0.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.250 -6.034 -0.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -17.805 -6.254 -1.725 1.00 0.00 H new ATOM 1020 N GLU A 64 -13.861 -1.886 3.721 1.00 0.00 N ATOM 1021 CA GLU A 64 -14.173 -1.623 5.125 1.00 0.00 C ATOM 1022 C GLU A 64 -13.392 -2.542 6.074 1.00 0.00 C ATOM 1023 O GLU A 64 -13.714 -2.623 7.259 1.00 0.00 O ATOM 1024 CB GLU A 64 -15.674 -1.786 5.370 1.00 0.00 C ATOM 1025 CG GLU A 64 -16.236 -0.804 6.385 1.00 0.00 C ATOM 1026 CD GLU A 64 -16.702 0.491 5.749 1.00 0.00 C ATOM 1027 OE1 GLU A 64 -16.942 0.497 4.523 1.00 0.00 O ATOM 1028 OE2 GLU A 64 -16.824 1.498 6.476 1.00 0.00 O ATOM 0 H GLU A 64 -13.389 -1.117 3.246 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.873 -0.597 5.336 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.203 -1.662 4.425 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.869 -2.802 5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -17.071 -1.268 6.909 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.474 -0.584 7.132 1.00 0.00 H new ATOM 1035 N SER A 65 -12.363 -3.226 5.565 1.00 0.00 N ATOM 1036 CA SER A 65 -11.559 -4.113 6.400 1.00 0.00 C ATOM 1037 C SER A 65 -10.605 -3.308 7.281 1.00 0.00 C ATOM 1038 O SER A 65 -10.613 -2.078 7.253 1.00 0.00 O ATOM 1039 CB SER A 65 -10.766 -5.099 5.534 1.00 0.00 C ATOM 1040 OG SER A 65 -9.919 -5.912 6.329 1.00 0.00 O ATOM 0 H SER A 65 -12.072 -3.181 4.588 1.00 0.00 H new ATOM 0 HA SER A 65 -12.236 -4.676 7.042 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.455 -5.728 4.971 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.169 -4.549 4.806 1.00 0.00 H new ATOM 0 HG SER A 65 -9.127 -6.164 5.810 1.00 0.00 H new ATOM 1046 N THR A 66 -9.777 -4.007 8.055 1.00 0.00 N ATOM 1047 CA THR A 66 -8.813 -3.348 8.929 1.00 0.00 C ATOM 1048 C THR A 66 -7.424 -3.369 8.297 1.00 0.00 C ATOM 1049 O THR A 66 -6.612 -4.247 8.593 1.00 0.00 O ATOM 1050 CB THR A 66 -8.779 -4.032 10.298 1.00 0.00 C ATOM 1051 OG1 THR A 66 -10.075 -4.467 10.681 1.00 0.00 O ATOM 1052 CG2 THR A 66 -8.244 -3.139 11.399 1.00 0.00 C ATOM 0 H THR A 66 -9.755 -5.026 8.094 1.00 0.00 H new ATOM 0 HA THR A 66 -9.121 -2.311 9.064 1.00 0.00 H new ATOM 0 HB THR A 66 -8.103 -4.879 10.180 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.028 -4.902 11.558 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.246 -3.684 12.343 1.00 0.00 H new ATOM 0 HG22 THR A 66 -7.225 -2.835 11.158 1.00 0.00 H new ATOM 0 HG23 THR A 66 -8.875 -2.255 11.489 1.00 0.00 H new ATOM 1060 N LEU A 67 -7.156 -2.407 7.415 1.00 0.00 N ATOM 1061 CA LEU A 67 -5.866 -2.332 6.738 1.00 0.00 C ATOM 1062 C LEU A 67 -4.944 -1.314 7.408 1.00 0.00 C ATOM 1063 O LEU A 67 -5.186 -0.108 7.345 1.00 0.00 O ATOM 1064 CB LEU A 67 -6.063 -1.965 5.266 1.00 0.00 C ATOM 1065 CG LEU A 67 -4.809 -2.078 4.397 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -5.168 -2.567 3.002 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -4.088 -0.741 4.327 1.00 0.00 C ATOM 0 H LEU A 67 -7.814 -1.672 7.154 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.396 -3.313 6.807 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.836 -2.609 4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.435 -0.942 5.209 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.138 -2.806 4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.263 -2.641 2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.640 -3.547 3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.858 -1.864 2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.198 -0.839 3.705 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.752 0.008 3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.796 -0.432 5.331 1.00 0.00 H new ATOM 1079 N HIS A 68 -3.882 -1.806 8.045 1.00 0.00 N ATOM 1080 CA HIS A 68 -2.923 -0.936 8.716 1.00 0.00 C ATOM 1081 C HIS A 68 -1.616 -0.868 7.928 1.00 0.00 C ATOM 1082 O HIS A 68 -1.016 -1.897 7.618 1.00 0.00 O ATOM 1083 CB HIS A 68 -2.653 -1.440 10.136 1.00 0.00 C ATOM 1084 CG HIS A 68 -2.094 -0.390 11.047 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -2.624 0.879 11.147 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -1.045 -0.427 11.903 1.00 0.00 C ATOM 1087 CE1 HIS A 68 -1.926 1.578 12.025 1.00 0.00 C ATOM 1088 NE2 HIS A 68 -0.964 0.808 12.498 1.00 0.00 N ATOM 0 H HIS A 68 -3.666 -2.801 8.109 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.349 0.066 8.771 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.582 -1.821 10.561 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.957 -2.277 10.090 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.394 -1.270 12.084 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -2.111 2.604 12.307 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.272 1.086 13.194 1.00 0.00 H new ATOM 1097 N LEU A 69 -1.178 0.348 7.601 1.00 0.00 N ATOM 1098 CA LEU A 69 0.056 0.532 6.845 1.00 0.00 C ATOM 1099 C LEU A 69 1.233 0.824 7.776 1.00 0.00 C ATOM 1100 O LEU A 69 1.300 1.888 8.390 1.00 0.00 O ATOM 1101 CB LEU A 69 -0.107 1.669 5.831 1.00 0.00 C ATOM 1102 CG LEU A 69 0.150 1.279 4.374 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -1.122 0.744 3.733 1.00 0.00 C ATOM 1104 CD2 LEU A 69 0.683 2.468 3.591 1.00 0.00 C ATOM 0 H LEU A 69 -1.658 1.214 7.847 1.00 0.00 H new ATOM 0 HA LEU A 69 0.265 -0.395 6.311 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.119 2.065 5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.574 2.476 6.101 1.00 0.00 H new ATOM 0 HG LEU A 69 0.902 0.490 4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.921 0.472 2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.463 -0.135 4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.895 1.512 3.763 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.860 2.173 2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.046 3.278 3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.618 2.808 4.037 1.00 0.00 H new ATOM 1116 N VAL A 70 2.162 -0.127 7.874 1.00 0.00 N ATOM 1117 CA VAL A 70 3.334 0.035 8.727 1.00 0.00 C ATOM 1118 C VAL A 70 4.613 0.101 7.894 1.00 0.00 C ATOM 1119 O VAL A 70 4.693 -0.494 6.819 1.00 0.00 O ATOM 1120 CB VAL A 70 3.453 -1.116 9.743 1.00 0.00 C ATOM 1121 CG1 VAL A 70 4.586 -0.849 10.724 1.00 0.00 C ATOM 1122 CG2 VAL A 70 2.138 -1.317 10.480 1.00 0.00 C ATOM 0 H VAL A 70 2.124 -1.015 7.373 1.00 0.00 H new ATOM 0 HA VAL A 70 3.206 0.973 9.268 1.00 0.00 H new ATOM 0 HB VAL A 70 3.682 -2.032 9.199 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.654 -1.673 11.434 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.526 -0.761 10.179 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.390 0.078 11.262 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.242 -2.135 11.193 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.875 -0.402 11.012 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.353 -1.558 9.764 1.00 0.00 H new ATOM 1132 N LEU A 71 5.613 0.826 8.395 1.00 0.00 N ATOM 1133 CA LEU A 71 6.883 0.963 7.687 1.00 0.00 C ATOM 1134 C LEU A 71 7.834 -0.179 8.044 1.00 0.00 C ATOM 1135 O LEU A 71 8.479 -0.155 9.093 1.00 0.00 O ATOM 1136 CB LEU A 71 7.537 2.308 8.014 1.00 0.00 C ATOM 1137 CG LEU A 71 7.855 2.530 9.497 1.00 0.00 C ATOM 1138 CD1 LEU A 71 9.358 2.582 9.720 1.00 0.00 C ATOM 1139 CD2 LEU A 71 7.196 3.807 10.000 1.00 0.00 C ATOM 0 H LEU A 71 5.568 1.325 9.284 1.00 0.00 H new ATOM 0 HA LEU A 71 6.677 0.920 6.618 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.461 2.394 7.443 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.878 3.107 7.676 1.00 0.00 H new ATOM 0 HG LEU A 71 7.453 1.690 10.063 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.563 2.740 10.779 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.806 1.641 9.400 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.784 3.402 9.141 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.433 3.948 11.055 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.567 4.658 9.428 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.116 3.731 9.878 1.00 0.00 H new