USER MOD reduce.3.24.130724 H: found=0, std=0, add=1094, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1088 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: B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 23 LYS NZ :NH3+ -153:sc= 0 (180deg=0) USER MOD Set 2.1: B 2 ASN : amide:sc= 0.0779 K(o=0.078,f=-2.8!) USER MOD Set 2.2: B 4 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 8 ASN : amide:sc= 0.02 X(o=0.04,f=-0.29) USER MOD Set 3.2: A 18 LYS NZ :NH3+ -160:sc= 0.0202 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.025 X(o=-0.025,f=-0.26) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.0042 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 81:sc= 0.914 USER MOD Single : A 23 LYS NZ :NH3+ 158:sc= 0.00958 (180deg=0) USER MOD Single : A 31 SER OG : rot -150:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 75 LYS NZ :NH3+ 179:sc= 0.139 (180deg=0.139) USER MOD Single : A 80 LYS NZ :NH3+ -144:sc= 2.03 (180deg=-0.143!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.27) USER MOD Single : B 1 MET CE :methyl -124:sc= -0.747 (180deg=-3.42!) USER MOD Single : B 1 MET N :NH3+ 148:sc= 0.235 (180deg=-0.724) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 13 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot 180:sc= -0.0164 USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 THR OG1 : rot -140:sc= -0.605 USER MOD Single : B 31 SER OG : rot -170:sc= 0 USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 75 LYS NZ :NH3+ -174:sc= 0.22 (180deg=0.211) USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N ASN A 2 -9.559 9.268 -0.799 1.00 0.00 N ATOM 20 CA ASN A 2 -8.901 10.475 -1.431 1.00 0.00 C ATOM 21 C ASN A 2 -8.153 11.555 -0.623 1.00 0.00 C ATOM 22 O ASN A 2 -7.968 12.721 -0.992 1.00 0.00 O ATOM 23 CB ASN A 2 -9.870 11.124 -2.440 1.00 0.00 C ATOM 24 CG ASN A 2 -11.265 11.546 -1.937 1.00 0.00 C ATOM 25 OD1 ASN A 2 -12.230 10.788 -2.021 1.00 0.00 O ATOM 26 ND2 ASN A 2 -11.388 12.743 -1.395 1.00 0.00 N ATOM 0 HA ASN A 2 -8.028 9.987 -1.865 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -9.382 12.008 -2.850 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -10.010 10.425 -3.265 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -12.293 13.051 -1.039 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -10.578 13.360 -1.333 1.00 0.00 H new ATOM 33 N LYS A 3 -7.687 11.031 0.481 1.00 0.00 N ATOM 34 CA LYS A 3 -6.975 11.761 1.559 1.00 0.00 C ATOM 35 C LYS A 3 -7.880 12.687 2.442 1.00 0.00 C ATOM 36 O LYS A 3 -7.418 13.186 3.469 1.00 0.00 O ATOM 37 CB LYS A 3 -5.637 12.352 1.025 1.00 0.00 C ATOM 38 CG LYS A 3 -4.490 12.401 2.059 1.00 0.00 C ATOM 39 CD LYS A 3 -3.102 12.616 1.423 1.00 0.00 C ATOM 40 CE LYS A 3 -1.958 12.536 2.452 1.00 0.00 C ATOM 41 NZ LYS A 3 -0.641 12.692 1.810 1.00 0.00 N ATOM 0 H LYS A 3 -7.786 10.037 0.686 1.00 0.00 H new ATOM 0 HA LYS A 3 -6.677 11.041 2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.311 11.760 0.170 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.822 13.363 0.661 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.685 13.205 2.769 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.482 11.470 2.626 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.942 11.866 0.648 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.078 13.590 0.934 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.091 13.312 3.206 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.000 11.578 2.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.106 12.633 2.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.505 11.936 1.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.593 13.617 1.337 1.00 0.00 H new ATOM 54 N THR A 4 -9.165 12.846 2.059 1.00 0.00 N ATOM 55 CA THR A 4 -10.212 13.588 2.729 1.00 0.00 C ATOM 56 C THR A 4 -11.370 12.618 3.120 1.00 0.00 C ATOM 57 O THR A 4 -11.871 12.744 4.245 1.00 0.00 O ATOM 58 CB THR A 4 -10.589 14.682 1.716 1.00 0.00 C ATOM 59 OG1 THR A 4 -9.499 15.565 1.444 1.00 0.00 O ATOM 60 CG2 THR A 4 -11.709 15.501 2.285 1.00 0.00 C ATOM 0 H THR A 4 -9.507 12.416 1.200 1.00 0.00 H new ATOM 0 HA THR A 4 -9.925 14.047 3.675 1.00 0.00 H new ATOM 0 HB THR A 4 -10.875 14.187 0.788 1.00 0.00 H new ATOM 0 HG1 THR A 4 -9.781 16.243 0.795 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.986 16.281 1.576 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.570 14.859 2.473 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.386 15.959 3.220 1.00 0.00 H new ATOM 68 N GLU A 5 -11.815 11.672 2.236 1.00 0.00 N ATOM 69 CA GLU A 5 -12.653 10.529 2.716 1.00 0.00 C ATOM 70 C GLU A 5 -11.878 9.647 3.773 1.00 0.00 C ATOM 71 O GLU A 5 -12.501 8.913 4.545 1.00 0.00 O ATOM 72 CB GLU A 5 -13.141 9.682 1.515 1.00 0.00 C ATOM 73 CG GLU A 5 -14.190 10.330 0.584 1.00 0.00 C ATOM 74 CD GLU A 5 -15.553 10.579 1.239 1.00 0.00 C ATOM 75 OE1 GLU A 5 -15.877 11.658 1.735 1.00 0.00 O ATOM 76 OE2 GLU A 5 -16.355 9.467 1.211 1.00 0.00 O ATOM 0 H GLU A 5 -11.619 11.675 1.235 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.528 10.935 3.224 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.272 9.414 0.913 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.559 8.753 1.902 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.797 11.279 0.220 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.331 9.689 -0.286 1.00 0.00 H new ATOM 84 N LEU A 6 -10.525 9.776 3.808 1.00 0.00 N ATOM 85 CA LEU A 6 -9.653 9.289 4.883 1.00 0.00 C ATOM 86 C LEU A 6 -9.971 9.982 6.224 1.00 0.00 C ATOM 87 O LEU A 6 -10.309 9.279 7.162 1.00 0.00 O ATOM 88 CB LEU A 6 -8.157 9.513 4.491 1.00 0.00 C ATOM 89 CG LEU A 6 -7.239 8.308 4.717 1.00 0.00 C ATOM 90 CD1 LEU A 6 -5.813 8.591 4.229 1.00 0.00 C ATOM 91 CD2 LEU A 6 -7.282 7.845 6.183 1.00 0.00 C ATOM 0 H LEU A 6 -10.006 10.238 3.061 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.834 8.222 5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.111 9.793 3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.770 10.357 5.062 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.613 7.480 4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.188 7.715 4.404 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.831 8.816 3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.405 9.443 4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.621 6.988 6.314 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.955 8.658 6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.301 7.560 6.445 1.00 0.00 H new ATOM 103 N ILE A 7 -9.919 11.327 6.284 1.00 0.00 N ATOM 104 CA ILE A 7 -10.200 12.161 7.491 1.00 0.00 C ATOM 105 C ILE A 7 -11.548 11.794 8.171 1.00 0.00 C ATOM 106 O ILE A 7 -11.575 11.589 9.387 1.00 0.00 O ATOM 107 CB ILE A 7 -10.142 13.695 7.137 1.00 0.00 C ATOM 108 CG1 ILE A 7 -8.853 14.083 6.358 1.00 0.00 C ATOM 109 CG2 ILE A 7 -10.297 14.602 8.382 1.00 0.00 C ATOM 110 CD1 ILE A 7 -8.877 15.404 5.595 1.00 0.00 C ATOM 0 H ILE A 7 -9.673 11.891 5.471 1.00 0.00 H new ATOM 0 HA ILE A 7 -9.416 11.942 8.217 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.998 13.866 6.484 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.026 14.116 7.067 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.633 13.286 5.648 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -10.249 15.648 8.078 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -11.258 14.406 8.858 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.493 14.392 9.088 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.919 15.554 5.097 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -9.673 15.380 4.851 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -9.056 16.223 6.291 1.00 0.00 H new ATOM 122 N ASN A 8 -12.635 11.698 7.376 1.00 0.00 N ATOM 123 CA ASN A 8 -13.952 11.248 7.909 1.00 0.00 C ATOM 124 C ASN A 8 -14.011 9.763 8.391 1.00 0.00 C ATOM 125 O ASN A 8 -14.841 9.465 9.251 1.00 0.00 O ATOM 126 CB ASN A 8 -15.101 11.543 6.903 1.00 0.00 C ATOM 127 CG ASN A 8 -15.305 13.020 6.503 1.00 0.00 C ATOM 128 OD1 ASN A 8 -15.758 13.841 7.298 1.00 0.00 O ATOM 129 ND2 ASN A 8 -14.981 13.384 5.271 1.00 0.00 N ATOM 0 H ASN A 8 -12.635 11.920 6.380 1.00 0.00 H new ATOM 0 HA ASN A 8 -14.091 11.843 8.812 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -14.917 10.967 5.996 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -16.033 11.174 7.332 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -15.107 14.352 4.976 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -14.606 12.696 4.618 1.00 0.00 H new ATOM 136 N ALA A 9 -13.157 8.853 7.876 1.00 0.00 N ATOM 137 CA ALA A 9 -12.998 7.483 8.433 1.00 0.00 C ATOM 138 C ALA A 9 -12.384 7.432 9.841 1.00 0.00 C ATOM 139 O ALA A 9 -12.847 6.675 10.691 1.00 0.00 O ATOM 140 CB ALA A 9 -11.986 6.685 7.572 1.00 0.00 C ATOM 0 H ALA A 9 -12.561 9.040 7.070 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.012 7.083 8.448 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.871 5.682 7.982 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.353 6.619 6.548 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.022 7.193 7.580 1.00 0.00 H new ATOM 146 N VAL A 10 -11.315 8.215 10.042 1.00 0.00 N ATOM 147 CA VAL A 10 -10.495 8.247 11.259 1.00 0.00 C ATOM 148 C VAL A 10 -11.261 8.827 12.412 1.00 0.00 C ATOM 149 O VAL A 10 -11.393 8.195 13.459 1.00 0.00 O ATOM 150 CB VAL A 10 -9.119 8.956 11.068 1.00 0.00 C ATOM 151 CG1 VAL A 10 -8.036 8.455 12.010 1.00 0.00 C ATOM 152 CG2 VAL A 10 -8.624 8.835 9.640 1.00 0.00 C ATOM 0 H VAL A 10 -10.986 8.869 9.332 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.258 7.209 11.491 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.309 10.002 11.310 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.109 8.994 11.818 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.346 8.622 13.042 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.876 7.389 11.847 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.663 9.340 9.544 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.507 7.782 9.383 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.345 9.295 8.965 1.00 0.00 H new ATOM 162 N ALA A 11 -11.788 10.027 12.158 1.00 0.00 N ATOM 163 CA ALA A 11 -12.647 10.684 13.121 1.00 0.00 C ATOM 164 C ALA A 11 -14.001 9.987 13.423 1.00 0.00 C ATOM 165 O ALA A 11 -14.523 10.185 14.524 1.00 0.00 O ATOM 166 CB ALA A 11 -12.794 12.138 12.674 1.00 0.00 C ATOM 0 H ALA A 11 -11.631 10.553 11.298 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.167 10.622 14.098 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -13.436 12.671 13.375 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.813 12.612 12.649 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.238 12.170 11.679 1.00 0.00 H new ATOM 172 N GLU A 12 -14.545 9.166 12.491 1.00 0.00 N ATOM 173 CA GLU A 12 -15.723 8.318 12.781 1.00 0.00 C ATOM 174 C GLU A 12 -15.333 7.061 13.609 1.00 0.00 C ATOM 175 O GLU A 12 -15.978 6.824 14.636 1.00 0.00 O ATOM 176 CB GLU A 12 -16.469 8.000 11.458 1.00 0.00 C ATOM 177 CG GLU A 12 -17.750 7.151 11.586 1.00 0.00 C ATOM 178 CD GLU A 12 -18.469 6.973 10.245 1.00 0.00 C ATOM 179 OE1 GLU A 12 -19.433 7.655 9.898 1.00 0.00 O ATOM 180 OE2 GLU A 12 -17.912 5.977 9.484 1.00 0.00 O ATOM 0 H GLU A 12 -14.188 9.075 11.540 1.00 0.00 H new ATOM 0 HA GLU A 12 -16.421 8.861 13.418 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -16.729 8.943 10.976 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -15.779 7.481 10.792 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -17.495 6.172 11.991 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -18.426 7.624 12.298 1.00 0.00 H new ATOM 188 N THR A 13 -14.308 6.278 13.199 1.00 0.00 N ATOM 189 CA THR A 13 -13.902 5.035 13.941 1.00 0.00 C ATOM 190 C THR A 13 -12.842 5.134 15.079 1.00 0.00 C ATOM 191 O THR A 13 -12.370 4.120 15.603 1.00 0.00 O ATOM 192 CB THR A 13 -13.695 3.906 12.904 1.00 0.00 C ATOM 193 OG1 THR A 13 -14.108 2.656 13.447 1.00 0.00 O ATOM 194 CG2 THR A 13 -12.305 3.736 12.305 1.00 0.00 C ATOM 0 H THR A 13 -13.746 6.471 12.370 1.00 0.00 H new ATOM 0 HA THR A 13 -14.733 4.790 14.603 1.00 0.00 H new ATOM 0 HB THR A 13 -14.314 4.235 12.070 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.974 1.950 12.781 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.313 2.908 11.596 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.016 4.652 11.789 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.589 3.526 13.100 1.00 0.00 H new ATOM 202 N SER A 14 -12.541 6.369 15.468 1.00 0.00 N ATOM 203 CA SER A 14 -11.622 6.700 16.597 1.00 0.00 C ATOM 204 C SER A 14 -12.159 7.825 17.532 1.00 0.00 C ATOM 205 O SER A 14 -11.838 7.784 18.725 1.00 0.00 O ATOM 206 CB SER A 14 -10.188 7.054 16.130 1.00 0.00 C ATOM 207 OG SER A 14 -9.629 6.024 15.324 1.00 0.00 O ATOM 0 H SER A 14 -12.926 7.196 15.011 1.00 0.00 H new ATOM 0 HA SER A 14 -11.578 5.778 17.176 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.208 7.987 15.566 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.553 7.221 17.000 1.00 0.00 H new ATOM 0 HG SER A 14 -8.725 6.281 15.046 1.00 0.00 H new ATOM 213 N GLY A 15 -12.923 8.827 17.036 1.00 0.00 N ATOM 214 CA GLY A 15 -13.400 9.961 17.870 1.00 0.00 C ATOM 215 C GLY A 15 -12.330 10.949 18.368 1.00 0.00 C ATOM 216 O GLY A 15 -12.167 11.178 19.569 1.00 0.00 O ATOM 0 H GLY A 15 -13.223 8.875 16.062 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -14.138 10.520 17.295 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -13.916 9.552 18.738 1.00 0.00 H new ATOM 220 N LEU A 16 -11.650 11.541 17.389 1.00 0.00 N ATOM 221 CA LEU A 16 -10.607 12.571 17.578 1.00 0.00 C ATOM 222 C LEU A 16 -11.269 13.924 17.155 1.00 0.00 C ATOM 223 O LEU A 16 -12.307 14.340 17.681 1.00 0.00 O ATOM 224 CB LEU A 16 -9.200 12.021 17.126 1.00 0.00 C ATOM 225 CG LEU A 16 -9.176 11.344 15.746 1.00 0.00 C ATOM 226 CD1 LEU A 16 -9.899 12.034 14.646 1.00 0.00 C ATOM 227 CD2 LEU A 16 -8.046 10.472 15.177 1.00 0.00 C ATOM 0 H LEU A 16 -11.808 11.316 16.407 1.00 0.00 H new ATOM 0 HA LEU A 16 -10.262 12.835 18.578 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.489 12.847 17.120 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.851 11.305 17.870 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.727 10.548 16.248 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.804 11.454 13.728 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.953 12.130 14.907 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.471 13.025 14.494 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.316 10.133 14.177 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.127 11.055 15.127 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.893 9.608 15.823 1.00 0.00 H new ATOM 239 N SER A 17 -10.622 14.586 16.220 1.00 0.00 N ATOM 240 CA SER A 17 -11.109 15.799 15.515 1.00 0.00 C ATOM 241 C SER A 17 -10.929 15.627 13.980 1.00 0.00 C ATOM 242 O SER A 17 -10.090 14.866 13.507 1.00 0.00 O ATOM 243 CB SER A 17 -10.391 17.067 16.014 1.00 0.00 C ATOM 244 OG SER A 17 -10.535 17.247 17.419 1.00 0.00 O ATOM 0 H SER A 17 -9.697 14.297 15.901 1.00 0.00 H new ATOM 0 HA SER A 17 -12.170 15.920 15.735 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.332 17.005 15.764 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.791 17.938 15.495 1.00 0.00 H new ATOM 0 HG SER A 17 -10.064 18.061 17.695 1.00 0.00 H new ATOM 250 N LYS A 18 -11.694 16.366 13.163 1.00 0.00 N ATOM 251 CA LYS A 18 -11.467 16.434 11.679 1.00 0.00 C ATOM 252 C LYS A 18 -10.059 17.033 11.365 1.00 0.00 C ATOM 253 O LYS A 18 -9.322 16.444 10.579 1.00 0.00 O ATOM 254 CB LYS A 18 -12.622 17.162 10.939 1.00 0.00 C ATOM 255 CG LYS A 18 -14.024 16.516 11.053 1.00 0.00 C ATOM 256 CD LYS A 18 -14.190 15.159 10.327 1.00 0.00 C ATOM 257 CE LYS A 18 -15.517 14.428 10.617 1.00 0.00 C ATOM 258 NZ LYS A 18 -16.707 15.120 10.085 1.00 0.00 N ATOM 0 H LYS A 18 -12.479 16.931 13.487 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.475 15.416 11.288 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.683 18.182 11.319 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.362 17.231 9.883 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -14.256 16.375 12.109 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.761 17.214 10.655 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.111 15.326 9.253 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.363 14.508 10.611 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -15.470 13.426 10.190 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.628 14.310 11.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.556 14.784 10.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.605 16.145 10.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.800 14.919 9.069 1.00 0.00 H new ATOM 271 N LYS A 19 -9.651 18.125 12.043 1.00 0.00 N ATOM 272 CA LYS A 19 -8.249 18.624 12.029 1.00 0.00 C ATOM 273 C LYS A 19 -7.228 17.565 12.576 1.00 0.00 C ATOM 274 O LYS A 19 -6.181 17.414 11.941 1.00 0.00 O ATOM 275 CB LYS A 19 -8.185 19.973 12.796 1.00 0.00 C ATOM 276 CG LYS A 19 -6.836 20.718 12.670 1.00 0.00 C ATOM 277 CD LYS A 19 -6.804 22.046 13.449 1.00 0.00 C ATOM 278 CE LYS A 19 -5.441 22.755 13.347 1.00 0.00 C ATOM 279 NZ LYS A 19 -5.431 24.014 14.112 1.00 0.00 N ATOM 0 H LYS A 19 -10.278 18.689 12.616 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.946 18.796 10.996 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.980 20.623 12.430 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.386 19.787 13.851 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.036 20.072 13.032 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.634 20.916 11.617 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.583 22.706 13.068 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.033 21.855 14.497 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.657 22.095 13.719 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.214 22.961 12.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.499 24.467 14.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.163 24.652 13.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.624 23.813 15.114 1.00 0.00 H new ATOM 292 N ASP A 20 -7.506 16.829 13.688 1.00 0.00 N ATOM 293 CA ASP A 20 -6.592 15.735 14.160 1.00 0.00 C ATOM 294 C ASP A 20 -6.479 14.511 13.200 1.00 0.00 C ATOM 295 O ASP A 20 -5.406 13.915 13.134 1.00 0.00 O ATOM 296 CB ASP A 20 -6.946 15.253 15.594 1.00 0.00 C ATOM 297 CG ASP A 20 -6.449 16.187 16.705 1.00 0.00 C ATOM 298 OD1 ASP A 20 -7.179 16.968 17.314 1.00 0.00 O ATOM 299 OD2 ASP A 20 -5.103 16.047 16.936 1.00 0.00 O ATOM 0 H ASP A 20 -8.335 16.964 14.267 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.609 16.206 14.169 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.028 15.151 15.676 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.520 14.262 15.749 1.00 0.00 H new ATOM 305 N ALA A 21 -7.550 14.142 12.478 1.00 0.00 N ATOM 306 CA ALA A 21 -7.538 13.079 11.444 1.00 0.00 C ATOM 307 C ALA A 21 -6.751 13.465 10.156 1.00 0.00 C ATOM 308 O ALA A 21 -6.036 12.616 9.623 1.00 0.00 O ATOM 309 CB ALA A 21 -8.997 12.680 11.184 1.00 0.00 C ATOM 0 H ALA A 21 -8.465 14.577 12.594 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.982 12.216 11.810 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.031 11.897 10.426 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.443 12.311 12.107 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.555 13.548 10.834 1.00 0.00 H new ATOM 315 N THR A 22 -6.842 14.729 9.684 1.00 0.00 N ATOM 316 CA THR A 22 -6.016 15.284 8.573 1.00 0.00 C ATOM 317 C THR A 22 -4.484 15.222 8.862 1.00 0.00 C ATOM 318 O THR A 22 -3.697 14.738 8.042 1.00 0.00 O ATOM 319 CB THR A 22 -6.485 16.748 8.287 1.00 0.00 C ATOM 320 OG1 THR A 22 -7.896 16.912 8.345 1.00 0.00 O ATOM 321 CG2 THR A 22 -6.061 17.205 6.898 1.00 0.00 C ATOM 0 H THR A 22 -7.500 15.408 10.067 1.00 0.00 H new ATOM 0 HA THR A 22 -6.168 14.664 7.689 1.00 0.00 H new ATOM 0 HB THR A 22 -6.014 17.341 9.071 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.176 17.006 9.279 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.403 18.227 6.731 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.975 17.168 6.819 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.502 16.548 6.148 1.00 0.00 H new ATOM 329 N LYS A 23 -4.111 15.708 10.054 1.00 0.00 N ATOM 330 CA LYS A 23 -2.745 15.625 10.614 1.00 0.00 C ATOM 331 C LYS A 23 -2.210 14.187 10.744 1.00 0.00 C ATOM 332 O LYS A 23 -1.150 13.907 10.202 1.00 0.00 O ATOM 333 CB LYS A 23 -2.801 16.234 12.047 1.00 0.00 C ATOM 334 CG LYS A 23 -2.896 17.781 12.086 1.00 0.00 C ATOM 335 CD LYS A 23 -3.313 18.402 13.435 1.00 0.00 C ATOM 336 CE LYS A 23 -2.304 18.224 14.582 1.00 0.00 C ATOM 337 NZ LYS A 23 -2.776 18.885 15.812 1.00 0.00 N ATOM 0 H LYS A 23 -4.765 16.183 10.676 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.079 16.155 9.933 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.660 15.817 12.572 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.911 15.924 12.595 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.926 18.191 11.805 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.610 18.100 11.326 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.485 19.468 13.287 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.264 17.964 13.739 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.149 17.162 14.773 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.340 18.639 14.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.305 18.461 16.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.551 19.900 15.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.805 18.762 15.899 1.00 0.00 H new ATOM 350 N ALA A 24 -2.956 13.332 11.454 1.00 0.00 N ATOM 351 CA ALA A 24 -2.650 11.911 11.703 1.00 0.00 C ATOM 352 C ALA A 24 -2.392 11.029 10.460 1.00 0.00 C ATOM 353 O ALA A 24 -1.501 10.188 10.489 1.00 0.00 O ATOM 354 CB ALA A 24 -3.782 11.392 12.573 1.00 0.00 C ATOM 0 H ALA A 24 -3.830 13.622 11.892 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.680 11.848 12.197 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.616 10.338 12.796 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.815 11.959 13.503 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.729 11.506 12.045 1.00 0.00 H new ATOM 360 N VAL A 25 -3.139 11.253 9.371 1.00 0.00 N ATOM 361 CA VAL A 25 -2.849 10.712 8.011 1.00 0.00 C ATOM 362 C VAL A 25 -1.446 11.219 7.553 1.00 0.00 C ATOM 363 O VAL A 25 -0.562 10.387 7.348 1.00 0.00 O ATOM 364 CB VAL A 25 -4.057 11.273 7.162 1.00 0.00 C ATOM 365 CG1 VAL A 25 -3.743 11.475 5.661 1.00 0.00 C ATOM 366 CG2 VAL A 25 -5.302 10.399 7.347 1.00 0.00 C ATOM 0 H VAL A 25 -3.982 11.826 9.398 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.786 9.627 7.927 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.252 12.271 7.554 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.626 11.862 5.153 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.922 12.184 5.553 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.459 10.521 5.217 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.122 10.803 6.754 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.085 9.382 7.020 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.586 10.389 8.399 1.00 0.00 H new ATOM 376 N ASP A 26 -1.224 12.552 7.451 1.00 0.00 N ATOM 377 CA ASP A 26 0.144 13.110 7.183 1.00 0.00 C ATOM 378 C ASP A 26 1.229 12.876 8.314 1.00 0.00 C ATOM 379 O ASP A 26 2.357 13.358 8.228 1.00 0.00 O ATOM 380 CB ASP A 26 -0.054 14.612 6.851 1.00 0.00 C ATOM 381 CG ASP A 26 1.119 15.280 6.119 1.00 0.00 C ATOM 382 OD1 ASP A 26 1.922 16.032 6.671 1.00 0.00 O ATOM 383 OD2 ASP A 26 1.165 14.937 4.792 1.00 0.00 O ATOM 0 H ASP A 26 -1.954 13.258 7.547 1.00 0.00 H new ATOM 0 HA ASP A 26 0.579 12.558 6.350 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.950 14.717 6.240 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -0.237 15.152 7.780 1.00 0.00 H new ATOM 389 N ALA A 27 0.855 12.131 9.359 1.00 0.00 N ATOM 390 CA ALA A 27 1.695 11.664 10.476 1.00 0.00 C ATOM 391 C ALA A 27 2.204 10.216 10.251 1.00 0.00 C ATOM 392 O ALA A 27 3.380 9.932 10.495 1.00 0.00 O ATOM 393 CB ALA A 27 0.891 11.878 11.765 1.00 0.00 C ATOM 0 H ALA A 27 -0.110 11.814 9.457 1.00 0.00 H new ATOM 0 HA ALA A 27 2.618 12.239 10.552 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.479 11.544 12.620 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.657 12.937 11.877 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.035 11.305 11.715 1.00 0.00 H new ATOM 399 N VAL A 28 1.321 9.323 9.753 1.00 0.00 N ATOM 400 CA VAL A 28 1.697 7.996 9.206 1.00 0.00 C ATOM 401 C VAL A 28 2.607 8.219 7.952 1.00 0.00 C ATOM 402 O VAL A 28 3.815 7.976 7.993 1.00 0.00 O ATOM 403 CB VAL A 28 0.431 7.156 8.765 1.00 0.00 C ATOM 404 CG1 VAL A 28 0.821 5.744 8.342 1.00 0.00 C ATOM 405 CG2 VAL A 28 -0.682 7.014 9.765 1.00 0.00 C ATOM 0 H VAL A 28 0.318 9.502 9.718 1.00 0.00 H new ATOM 0 HA VAL A 28 2.216 7.440 9.987 1.00 0.00 H new ATOM 0 HB VAL A 28 0.043 7.759 7.944 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.072 5.194 8.045 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.513 5.794 7.501 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.301 5.234 9.177 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.485 6.416 9.333 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.305 6.522 10.662 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.065 8.001 10.026 1.00 0.00 H new ATOM 415 N PHE A 29 1.948 8.757 6.906 1.00 0.00 N ATOM 416 CA PHE A 29 2.452 8.947 5.528 1.00 0.00 C ATOM 417 C PHE A 29 3.694 9.845 5.364 1.00 0.00 C ATOM 418 O PHE A 29 4.294 9.759 4.292 1.00 0.00 O ATOM 419 CB PHE A 29 1.254 9.287 4.576 1.00 0.00 C ATOM 420 CG PHE A 29 0.131 8.221 4.532 1.00 0.00 C ATOM 421 CD1 PHE A 29 0.423 6.890 4.213 1.00 0.00 C ATOM 422 CD2 PHE A 29 -1.157 8.545 4.960 1.00 0.00 C ATOM 423 CE1 PHE A 29 -0.526 5.892 4.399 1.00 0.00 C ATOM 424 CE2 PHE A 29 -2.103 7.548 5.170 1.00 0.00 C ATOM 425 CZ PHE A 29 -1.779 6.221 4.900 1.00 0.00 C ATOM 0 H PHE A 29 0.990 9.092 7.006 1.00 0.00 H new ATOM 0 HA PHE A 29 2.878 7.992 5.218 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.820 10.237 4.887 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.640 9.428 3.567 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.396 6.636 3.818 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.421 9.578 5.129 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.291 4.866 4.155 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.085 7.802 5.541 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.506 5.443 5.081 1.00 0.00 H new ATOM 435 N ASP A 30 4.105 10.651 6.375 1.00 0.00 N ATOM 436 CA ASP A 30 5.425 11.352 6.328 1.00 0.00 C ATOM 437 C ASP A 30 6.628 10.447 6.726 1.00 0.00 C ATOM 438 O ASP A 30 7.677 10.491 6.082 1.00 0.00 O ATOM 439 CB ASP A 30 5.387 12.616 7.212 1.00 0.00 C ATOM 440 CG ASP A 30 6.461 13.661 6.876 1.00 0.00 C ATOM 441 OD1 ASP A 30 7.599 13.638 7.345 1.00 0.00 O ATOM 442 OD2 ASP A 30 6.005 14.609 5.997 1.00 0.00 O ATOM 0 H ASP A 30 3.560 10.833 7.217 1.00 0.00 H new ATOM 0 HA ASP A 30 5.588 11.631 5.287 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.405 13.080 7.119 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.501 12.318 8.254 1.00 0.00 H new ATOM 448 N SER A 31 6.465 9.661 7.800 1.00 0.00 N ATOM 449 CA SER A 31 7.475 8.646 8.231 1.00 0.00 C ATOM 450 C SER A 31 7.706 7.487 7.208 1.00 0.00 C ATOM 451 O SER A 31 8.818 6.965 7.138 1.00 0.00 O ATOM 452 CB SER A 31 7.120 8.032 9.597 1.00 0.00 C ATOM 453 OG SER A 31 6.878 9.031 10.581 1.00 0.00 O ATOM 0 H SER A 31 5.641 9.699 8.400 1.00 0.00 H new ATOM 0 HA SER A 31 8.404 9.212 8.299 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.236 7.403 9.493 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.934 7.387 9.927 1.00 0.00 H new ATOM 0 HG SER A 31 7.124 8.686 11.465 1.00 0.00 H new ATOM 459 N ILE A 32 6.678 7.102 6.421 1.00 0.00 N ATOM 460 CA ILE A 32 6.741 6.084 5.339 1.00 0.00 C ATOM 461 C ILE A 32 7.584 6.605 4.183 1.00 0.00 C ATOM 462 O ILE A 32 8.566 5.959 3.857 1.00 0.00 O ATOM 463 CB ILE A 32 5.324 5.675 4.852 1.00 0.00 C ATOM 464 CG1 ILE A 32 4.376 5.577 6.056 1.00 0.00 C ATOM 465 CG2 ILE A 32 5.458 4.389 4.020 1.00 0.00 C ATOM 466 CD1 ILE A 32 3.106 4.805 6.022 1.00 0.00 C ATOM 0 H ILE A 32 5.746 7.504 6.522 1.00 0.00 H new ATOM 0 HA ILE A 32 7.212 5.188 5.744 1.00 0.00 H new ATOM 0 HB ILE A 32 4.875 6.423 4.198 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.963 5.172 6.881 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.110 6.599 6.325 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.474 4.081 3.666 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.110 4.574 3.166 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.885 3.599 4.638 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.607 4.883 6.988 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.456 5.207 5.245 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.322 3.758 5.808 1.00 0.00 H new ATOM 478 N THR A 33 7.225 7.740 3.576 1.00 0.00 N ATOM 479 CA THR A 33 8.094 8.346 2.521 1.00 0.00 C ATOM 480 C THR A 33 9.560 8.633 2.974 1.00 0.00 C ATOM 481 O THR A 33 10.444 8.517 2.135 1.00 0.00 O ATOM 482 CB THR A 33 7.420 9.598 1.910 1.00 0.00 C ATOM 483 OG1 THR A 33 8.216 10.168 0.876 1.00 0.00 O ATOM 484 CG2 THR A 33 7.062 10.688 2.934 1.00 0.00 C ATOM 0 H THR A 33 6.369 8.257 3.777 1.00 0.00 H new ATOM 0 HA THR A 33 8.194 7.587 1.745 1.00 0.00 H new ATOM 0 HB THR A 33 6.481 9.228 1.498 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.762 10.956 0.510 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.594 11.529 2.422 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.369 10.281 3.671 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.968 11.027 3.436 1.00 0.00 H new ATOM 492 N GLU A 34 9.817 8.972 4.256 1.00 0.00 N ATOM 493 CA GLU A 34 11.194 8.990 4.823 1.00 0.00 C ATOM 494 C GLU A 34 11.801 7.554 4.943 1.00 0.00 C ATOM 495 O GLU A 34 13.008 7.422 4.735 1.00 0.00 O ATOM 496 CB GLU A 34 11.223 9.762 6.171 1.00 0.00 C ATOM 497 CG GLU A 34 11.024 11.294 6.088 1.00 0.00 C ATOM 498 CD GLU A 34 12.144 12.045 5.356 1.00 0.00 C ATOM 499 OE1 GLU A 34 13.189 12.400 5.899 1.00 0.00 O ATOM 500 OE2 GLU A 34 11.844 12.268 4.036 1.00 0.00 O ATOM 0 H GLU A 34 9.092 9.238 4.923 1.00 0.00 H new ATOM 0 HA GLU A 34 11.836 9.527 4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.448 9.351 6.817 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.179 9.567 6.656 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.079 11.498 5.585 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.939 11.691 7.099 1.00 0.00 H new ATOM 508 N ALA A 35 11.007 6.488 5.233 1.00 0.00 N ATOM 509 CA ALA A 35 11.458 5.076 5.117 1.00 0.00 C ATOM 510 C ALA A 35 11.890 4.725 3.666 1.00 0.00 C ATOM 511 O ALA A 35 13.051 4.405 3.429 1.00 0.00 O ATOM 512 CB ALA A 35 10.357 4.058 5.595 1.00 0.00 C ATOM 0 H ALA A 35 10.043 6.583 5.552 1.00 0.00 H new ATOM 0 HA ALA A 35 12.322 4.984 5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.733 3.040 5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.113 4.250 6.640 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.461 4.178 4.985 1.00 0.00 H new ATOM 518 N LEU A 36 10.978 4.883 2.700 1.00 0.00 N ATOM 519 CA LEU A 36 11.168 4.573 1.261 1.00 0.00 C ATOM 520 C LEU A 36 12.299 5.383 0.624 1.00 0.00 C ATOM 521 O LEU A 36 13.244 4.798 0.085 1.00 0.00 O ATOM 522 CB LEU A 36 9.796 4.689 0.567 1.00 0.00 C ATOM 523 CG LEU A 36 8.647 3.905 1.305 1.00 0.00 C ATOM 524 CD1 LEU A 36 7.355 3.802 0.538 1.00 0.00 C ATOM 525 CD2 LEU A 36 9.032 2.474 1.707 1.00 0.00 C ATOM 0 H LEU A 36 10.045 5.245 2.898 1.00 0.00 H new ATOM 0 HA LEU A 36 11.519 3.549 1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.521 5.741 0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.882 4.315 -0.453 1.00 0.00 H new ATOM 0 HG LEU A 36 8.496 4.525 2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.626 3.246 1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.971 4.802 0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.532 3.284 -0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.190 1.998 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.292 1.903 0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.888 2.503 2.381 1.00 0.00 H new ATOM 537 N ARG A 37 12.252 6.717 0.775 1.00 0.00 N ATOM 538 CA ARG A 37 13.340 7.592 0.323 1.00 0.00 C ATOM 539 C ARG A 37 14.735 7.252 0.937 1.00 0.00 C ATOM 540 O ARG A 37 15.723 7.410 0.213 1.00 0.00 O ATOM 541 CB ARG A 37 12.951 9.058 0.636 1.00 0.00 C ATOM 542 CG ARG A 37 13.946 10.180 0.263 1.00 0.00 C ATOM 543 CD ARG A 37 13.523 11.494 0.936 1.00 0.00 C ATOM 544 NE ARG A 37 14.441 12.618 0.624 1.00 0.00 N ATOM 545 CZ ARG A 37 15.467 13.020 1.402 1.00 0.00 C ATOM 546 NH1 ARG A 37 15.793 12.451 2.562 1.00 0.00 N ATOM 547 NH2 ARG A 37 16.194 14.041 0.988 1.00 0.00 N ATOM 0 H ARG A 37 11.471 7.211 1.207 1.00 0.00 H new ATOM 0 HA ARG A 37 13.458 7.435 -0.749 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.010 9.267 0.128 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.758 9.129 1.706 1.00 0.00 H new ATOM 0 HG2 ARG A 37 14.953 9.906 0.579 1.00 0.00 H new ATOM 0 HG3 ARG A 37 13.976 10.308 -0.819 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.514 11.754 0.615 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.486 11.349 2.016 1.00 0.00 H new ATOM 0 HE ARG A 37 14.284 13.126 -0.246 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.253 11.660 2.912 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.583 12.807 3.100 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.972 14.500 0.104 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.977 14.371 1.552 1.00 0.00 H new ATOM 560 N LYS A 38 14.818 6.813 2.223 1.00 0.00 N ATOM 561 CA LYS A 38 16.138 6.521 2.853 1.00 0.00 C ATOM 562 C LYS A 38 16.502 4.998 2.934 1.00 0.00 C ATOM 563 O LYS A 38 17.289 4.605 3.803 1.00 0.00 O ATOM 564 CB LYS A 38 16.246 7.254 4.223 1.00 0.00 C ATOM 565 CG LYS A 38 16.233 8.803 4.148 1.00 0.00 C ATOM 566 CD LYS A 38 16.412 9.523 5.500 1.00 0.00 C ATOM 567 CE LYS A 38 15.179 9.439 6.419 1.00 0.00 C ATOM 568 NZ LYS A 38 15.367 10.208 7.661 1.00 0.00 N ATOM 0 H LYS A 38 14.013 6.657 2.829 1.00 0.00 H new ATOM 0 HA LYS A 38 16.902 6.920 2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.420 6.930 4.856 1.00 0.00 H new ATOM 0 HB3 LYS A 38 17.166 6.938 4.714 1.00 0.00 H new ATOM 0 HG2 LYS A 38 17.026 9.126 3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.289 9.122 3.706 1.00 0.00 H new ATOM 0 HD2 LYS A 38 17.269 9.094 6.018 1.00 0.00 H new ATOM 0 HD3 LYS A 38 16.644 10.572 5.314 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.304 9.815 5.888 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.979 8.396 6.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.515 10.126 8.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.186 9.834 8.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.532 11.208 7.428 1.00 0.00 H new ATOM 581 N GLY A 39 15.986 4.139 2.022 1.00 0.00 N ATOM 582 CA GLY A 39 16.261 2.675 2.036 1.00 0.00 C ATOM 583 C GLY A 39 15.847 1.899 3.314 1.00 0.00 C ATOM 584 O GLY A 39 16.655 1.149 3.868 1.00 0.00 O ATOM 0 H GLY A 39 15.373 4.434 1.262 1.00 0.00 H new ATOM 0 HA2 GLY A 39 15.750 2.225 1.185 1.00 0.00 H new ATOM 0 HA3 GLY A 39 17.330 2.528 1.880 1.00 0.00 H new ATOM 588 N ASP A 40 14.594 2.097 3.752 1.00 0.00 N ATOM 589 CA ASP A 40 14.050 1.512 5.009 1.00 0.00 C ATOM 590 C ASP A 40 12.688 0.826 4.767 1.00 0.00 C ATOM 591 O ASP A 40 11.816 1.343 4.059 1.00 0.00 O ATOM 592 CB ASP A 40 13.963 2.497 6.206 1.00 0.00 C ATOM 593 CG ASP A 40 15.197 3.362 6.505 1.00 0.00 C ATOM 594 OD1 ASP A 40 15.240 4.573 6.294 1.00 0.00 O ATOM 595 OD2 ASP A 40 16.235 2.627 7.019 1.00 0.00 O ATOM 0 H ASP A 40 13.917 2.670 3.248 1.00 0.00 H new ATOM 0 HA ASP A 40 14.785 0.764 5.304 1.00 0.00 H new ATOM 0 HB2 ASP A 40 13.119 3.164 6.032 1.00 0.00 H new ATOM 0 HB3 ASP A 40 13.733 1.919 7.101 1.00 0.00 H new ATOM 601 N LYS A 41 12.523 -0.347 5.408 1.00 0.00 N ATOM 602 CA LYS A 41 11.238 -1.081 5.416 1.00 0.00 C ATOM 603 C LYS A 41 10.384 -0.517 6.582 1.00 0.00 C ATOM 604 O LYS A 41 10.867 -0.249 7.690 1.00 0.00 O ATOM 605 CB LYS A 41 11.365 -2.614 5.612 1.00 0.00 C ATOM 606 CG LYS A 41 12.289 -3.351 4.621 1.00 0.00 C ATOM 607 CD LYS A 41 12.006 -4.865 4.568 1.00 0.00 C ATOM 608 CE LYS A 41 12.867 -5.591 3.523 1.00 0.00 C ATOM 609 NZ LYS A 41 12.545 -7.028 3.464 1.00 0.00 N ATOM 0 H LYS A 41 13.267 -0.810 5.930 1.00 0.00 H new ATOM 0 HA LYS A 41 10.788 -0.936 4.434 1.00 0.00 H new ATOM 0 HB2 LYS A 41 11.727 -2.802 6.623 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.369 -3.052 5.543 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.162 -2.926 3.625 1.00 0.00 H new ATOM 0 HG3 LYS A 41 13.328 -3.188 4.908 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.190 -5.300 5.550 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.952 -5.026 4.340 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.709 -5.141 2.543 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.922 -5.463 3.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.144 -7.489 2.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.720 -7.461 4.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.544 -7.149 3.208 1.00 0.00 H new ATOM 622 N VAL A 42 9.078 -0.426 6.327 1.00 0.00 N ATOM 623 CA VAL A 42 8.079 0.106 7.255 1.00 0.00 C ATOM 624 C VAL A 42 7.641 -1.119 8.123 1.00 0.00 C ATOM 625 O VAL A 42 8.493 -1.886 8.587 1.00 0.00 O ATOM 626 CB VAL A 42 7.100 0.828 6.255 1.00 0.00 C ATOM 627 CG1 VAL A 42 6.029 1.650 6.946 1.00 0.00 C ATOM 628 CG2 VAL A 42 7.742 1.909 5.340 1.00 0.00 C ATOM 0 H VAL A 42 8.674 -0.730 5.441 1.00 0.00 H new ATOM 0 HA VAL A 42 8.314 0.845 8.021 1.00 0.00 H new ATOM 0 HB VAL A 42 6.736 -0.035 5.698 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.391 2.119 6.197 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.426 1.002 7.582 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.499 2.421 7.556 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.977 2.340 4.694 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.180 2.694 5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.519 1.452 4.728 1.00 0.00 H new ATOM 638 N GLN A 43 6.359 -1.184 8.479 1.00 0.00 N ATOM 639 CA GLN A 43 5.668 -2.387 9.028 1.00 0.00 C ATOM 640 C GLN A 43 4.263 -2.160 9.667 1.00 0.00 C ATOM 641 O GLN A 43 4.007 -1.138 10.306 1.00 0.00 O ATOM 642 CB GLN A 43 6.464 -3.661 9.472 1.00 0.00 C ATOM 643 CG GLN A 43 6.983 -4.496 8.284 1.00 0.00 C ATOM 644 CD GLN A 43 7.908 -5.654 8.683 1.00 0.00 C ATOM 645 OE1 GLN A 43 7.486 -6.616 9.325 1.00 0.00 O ATOM 646 NE2 GLN A 43 9.179 -5.598 8.308 1.00 0.00 N ATOM 0 H GLN A 43 5.736 -0.380 8.397 1.00 0.00 H new ATOM 0 HA GLN A 43 5.454 -2.806 8.045 1.00 0.00 H new ATOM 0 HB2 GLN A 43 7.308 -3.357 10.091 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.822 -4.285 10.094 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.130 -4.899 7.738 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.518 -3.838 7.599 1.00 0.00 H new ATOM 0 HE21 GLN A 43 9.519 -4.797 7.776 1.00 0.00 H new ATOM 0 HE22 GLN A 43 9.816 -6.356 8.551 1.00 0.00 H new ATOM 655 N LEU A 44 3.366 -3.152 9.461 1.00 0.00 N ATOM 656 CA LEU A 44 1.986 -3.215 10.010 1.00 0.00 C ATOM 657 C LEU A 44 1.775 -4.727 10.344 1.00 0.00 C ATOM 658 O LEU A 44 1.856 -5.577 9.452 1.00 0.00 O ATOM 659 CB LEU A 44 0.896 -2.702 9.027 1.00 0.00 C ATOM 660 CG LEU A 44 1.122 -1.287 8.418 1.00 0.00 C ATOM 661 CD1 LEU A 44 1.818 -1.327 7.041 1.00 0.00 C ATOM 662 CD2 LEU A 44 -0.195 -0.504 8.298 1.00 0.00 C ATOM 0 H LEU A 44 3.590 -3.964 8.885 1.00 0.00 H new ATOM 0 HA LEU A 44 1.885 -2.561 10.876 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.811 -3.416 8.208 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.061 -2.700 9.549 1.00 0.00 H new ATOM 0 HG LEU A 44 1.785 -0.775 9.115 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.947 -0.311 6.669 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.793 -1.804 7.140 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.206 -1.895 6.340 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.003 0.478 7.869 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.885 -1.049 7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.639 -0.385 9.286 1.00 0.00 H new ATOM 674 N ILE A 45 1.499 -5.097 11.611 1.00 0.00 N ATOM 675 CA ILE A 45 1.500 -6.537 12.061 1.00 0.00 C ATOM 676 C ILE A 45 0.346 -7.514 11.723 1.00 0.00 C ATOM 677 O ILE A 45 0.554 -8.726 11.593 1.00 0.00 O ATOM 678 CB ILE A 45 2.076 -6.625 13.510 1.00 0.00 C ATOM 679 CG1 ILE A 45 2.701 -8.007 13.858 1.00 0.00 C ATOM 680 CG2 ILE A 45 1.048 -6.156 14.561 1.00 0.00 C ATOM 681 CD1 ILE A 45 3.635 -8.016 15.080 1.00 0.00 C ATOM 0 H ILE A 45 1.271 -4.434 12.352 1.00 0.00 H new ATOM 0 HA ILE A 45 2.164 -7.008 11.336 1.00 0.00 H new ATOM 0 HB ILE A 45 2.913 -5.927 13.541 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.894 -8.719 14.033 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.259 -8.364 12.992 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.485 -6.232 15.557 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.773 -5.120 14.363 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.159 -6.785 14.506 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.018 -9.024 15.238 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.468 -7.335 14.906 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.082 -7.695 15.963 1.00 0.00 H new ATOM 693 N GLY A 46 -0.830 -6.947 11.583 1.00 0.00 N ATOM 694 CA GLY A 46 -2.007 -7.679 11.041 1.00 0.00 C ATOM 695 C GLY A 46 -2.504 -7.148 9.679 1.00 0.00 C ATOM 696 O GLY A 46 -3.712 -7.167 9.428 1.00 0.00 O ATOM 0 H GLY A 46 -1.022 -5.977 11.832 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.750 -8.733 10.937 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.822 -7.620 11.762 1.00 0.00 H new ATOM 700 N PHE A 47 -1.576 -6.722 8.795 1.00 0.00 N ATOM 701 CA PHE A 47 -1.913 -6.123 7.489 1.00 0.00 C ATOM 702 C PHE A 47 -0.734 -6.169 6.484 1.00 0.00 C ATOM 703 O PHE A 47 -0.965 -6.575 5.345 1.00 0.00 O ATOM 704 CB PHE A 47 -2.306 -4.627 7.722 1.00 0.00 C ATOM 705 CG PHE A 47 -3.024 -3.895 6.554 1.00 0.00 C ATOM 706 CD1 PHE A 47 -2.336 -3.593 5.369 1.00 0.00 C ATOM 707 CD2 PHE A 47 -4.351 -3.472 6.686 1.00 0.00 C ATOM 708 CE1 PHE A 47 -2.978 -2.945 4.320 1.00 0.00 C ATOM 709 CE2 PHE A 47 -4.969 -2.764 5.653 1.00 0.00 C ATOM 710 CZ PHE A 47 -4.289 -2.513 4.469 1.00 0.00 C ATOM 0 H PHE A 47 -0.573 -6.784 8.968 1.00 0.00 H new ATOM 0 HA PHE A 47 -2.732 -6.701 7.061 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.951 -4.579 8.599 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -1.399 -4.072 7.963 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.296 -3.867 5.271 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.899 -3.694 7.590 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.457 -2.778 3.389 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.982 -2.410 5.776 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.779 -1.983 3.666 1.00 0.00 H new ATOM 720 N GLY A 48 0.470 -5.680 6.862 1.00 0.00 N ATOM 721 CA GLY A 48 1.480 -5.286 5.891 1.00 0.00 C ATOM 722 C GLY A 48 2.971 -5.130 6.170 1.00 0.00 C ATOM 723 O GLY A 48 3.516 -5.319 7.258 1.00 0.00 O ATOM 0 H GLY A 48 0.752 -5.555 7.834 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.405 -6.008 5.078 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.151 -4.325 5.496 1.00 0.00 H new ATOM 727 N ASN A 49 3.584 -4.766 5.036 1.00 0.00 N ATOM 728 CA ASN A 49 5.015 -4.368 4.946 1.00 0.00 C ATOM 729 C ASN A 49 5.241 -3.454 3.698 1.00 0.00 C ATOM 730 O ASN A 49 5.088 -3.935 2.575 1.00 0.00 O ATOM 731 CB ASN A 49 5.920 -5.639 4.884 1.00 0.00 C ATOM 732 CG ASN A 49 7.454 -5.433 4.903 1.00 0.00 C ATOM 733 OD1 ASN A 49 7.985 -4.323 4.942 1.00 0.00 O ATOM 734 ND2 ASN A 49 8.202 -6.525 4.876 1.00 0.00 N ATOM 0 H ASN A 49 3.103 -4.736 4.137 1.00 0.00 H new ATOM 0 HA ASN A 49 5.287 -3.800 5.836 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.657 -6.279 5.726 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.667 -6.187 3.976 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.219 -6.447 4.888 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.761 -7.444 4.844 1.00 0.00 H new ATOM 741 N PHE A 50 5.599 -2.156 3.847 1.00 0.00 N ATOM 742 CA PHE A 50 6.091 -1.338 2.675 1.00 0.00 C ATOM 743 C PHE A 50 7.651 -1.454 2.623 1.00 0.00 C ATOM 744 O PHE A 50 8.321 -1.599 3.652 1.00 0.00 O ATOM 745 CB PHE A 50 5.776 0.193 2.476 1.00 0.00 C ATOM 746 CG PHE A 50 4.406 0.808 2.601 1.00 0.00 C ATOM 747 CD1 PHE A 50 3.804 1.023 3.847 1.00 0.00 C ATOM 748 CD2 PHE A 50 3.935 1.496 1.480 1.00 0.00 C ATOM 749 CE1 PHE A 50 2.666 1.816 3.943 1.00 0.00 C ATOM 750 CE2 PHE A 50 2.807 2.299 1.586 1.00 0.00 C ATOM 751 CZ PHE A 50 2.162 2.431 2.806 1.00 0.00 C ATOM 0 H PHE A 50 5.564 -1.651 4.732 1.00 0.00 H new ATOM 0 HA PHE A 50 5.489 -1.793 1.888 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.411 0.726 3.184 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.130 0.446 1.477 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.224 0.572 4.734 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.447 1.404 0.533 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.177 1.952 4.896 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.432 2.821 0.718 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.258 3.018 2.872 1.00 0.00 H new ATOM 761 N GLU A 51 8.217 -1.320 1.416 1.00 0.00 N ATOM 762 CA GLU A 51 9.685 -1.289 1.219 1.00 0.00 C ATOM 763 C GLU A 51 10.055 -0.649 -0.137 1.00 0.00 C ATOM 764 O GLU A 51 9.189 -0.224 -0.905 1.00 0.00 O ATOM 765 CB GLU A 51 10.339 -2.693 1.473 1.00 0.00 C ATOM 766 CG GLU A 51 9.980 -3.861 0.518 1.00 0.00 C ATOM 767 CD GLU A 51 8.596 -4.485 0.747 1.00 0.00 C ATOM 768 OE1 GLU A 51 7.598 -4.187 0.092 1.00 0.00 O ATOM 769 OE2 GLU A 51 8.605 -5.401 1.767 1.00 0.00 O ATOM 0 H GLU A 51 7.682 -1.230 0.552 1.00 0.00 H new ATOM 0 HA GLU A 51 10.120 -0.638 1.977 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.421 -2.564 1.447 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.079 -3.001 2.486 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.034 -3.500 -0.509 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.735 -4.640 0.622 1.00 0.00 H new ATOM 777 N VAL A 52 11.366 -0.529 -0.413 1.00 0.00 N ATOM 778 CA VAL A 52 11.872 0.078 -1.651 1.00 0.00 C ATOM 779 C VAL A 52 12.789 -0.953 -2.398 1.00 0.00 C ATOM 780 O VAL A 52 13.356 -1.865 -1.779 1.00 0.00 O ATOM 781 CB VAL A 52 12.453 1.454 -1.158 1.00 0.00 C ATOM 782 CG1 VAL A 52 13.979 1.460 -1.106 1.00 0.00 C ATOM 783 CG2 VAL A 52 11.843 2.621 -1.939 1.00 0.00 C ATOM 0 H VAL A 52 12.101 -0.850 0.217 1.00 0.00 H new ATOM 0 HA VAL A 52 11.161 0.306 -2.445 1.00 0.00 H new ATOM 0 HB VAL A 52 12.149 1.597 -0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.327 2.433 -0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 52 14.323 0.686 -0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.378 1.265 -2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.263 3.560 -1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.069 2.507 -2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.762 2.628 -1.797 1.00 0.00 H new ATOM 793 N ARG A 53 12.969 -0.776 -3.724 1.00 0.00 N ATOM 794 CA ARG A 53 13.816 -1.692 -4.536 1.00 0.00 C ATOM 795 C ARG A 53 14.899 -0.867 -5.268 1.00 0.00 C ATOM 796 O ARG A 53 14.637 -0.307 -6.337 1.00 0.00 O ATOM 797 CB ARG A 53 12.935 -2.508 -5.522 1.00 0.00 C ATOM 798 CG ARG A 53 13.657 -3.689 -6.202 1.00 0.00 C ATOM 799 CD ARG A 53 12.775 -4.401 -7.248 1.00 0.00 C ATOM 800 NE ARG A 53 13.499 -5.494 -7.945 1.00 0.00 N ATOM 801 CZ ARG A 53 14.284 -5.335 -9.031 1.00 0.00 C ATOM 802 NH1 ARG A 53 14.517 -4.161 -9.617 1.00 0.00 N ATOM 803 NH2 ARG A 53 14.856 -6.410 -9.541 1.00 0.00 N ATOM 0 H ARG A 53 12.546 -0.016 -4.256 1.00 0.00 H new ATOM 0 HA ARG A 53 14.318 -2.411 -3.888 1.00 0.00 H new ATOM 0 HB2 ARG A 53 12.069 -2.891 -4.983 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.559 -1.836 -6.294 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.565 -3.326 -6.684 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.965 -4.408 -5.442 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.891 -4.809 -6.758 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.426 -3.674 -7.981 1.00 0.00 H new ATOM 0 HE ARG A 53 13.395 -6.438 -7.574 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.090 -3.312 -9.246 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.122 -4.111 -10.437 1.00 0.00 H new ATOM 0 HH21 ARG A 53 14.698 -7.323 -9.114 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.456 -6.328 -10.362 1.00 0.00 H new ATOM 1134 N LYS A 75 15.629 3.663 -6.492 1.00 0.00 N ATOM 1135 CA LYS A 75 14.771 3.040 -5.438 1.00 0.00 C ATOM 1136 C LYS A 75 13.283 3.148 -5.869 1.00 0.00 C ATOM 1137 O LYS A 75 12.780 4.247 -6.127 1.00 0.00 O ATOM 1138 CB LYS A 75 14.984 3.546 -3.985 1.00 0.00 C ATOM 1139 CG LYS A 75 16.372 4.130 -3.631 1.00 0.00 C ATOM 1140 CD LYS A 75 16.550 4.470 -2.139 1.00 0.00 C ATOM 1141 CE LYS A 75 17.929 5.095 -1.860 1.00 0.00 C ATOM 1142 NZ LYS A 75 18.134 5.365 -0.428 1.00 0.00 N ATOM 0 HA LYS A 75 15.088 1.999 -5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 75 14.235 4.311 -3.782 1.00 0.00 H new ATOM 0 HB3 LYS A 75 14.785 2.716 -3.307 1.00 0.00 H new ATOM 0 HG2 LYS A 75 17.141 3.415 -3.924 1.00 0.00 H new ATOM 0 HG3 LYS A 75 16.536 5.032 -4.220 1.00 0.00 H new ATOM 0 HD2 LYS A 75 15.767 5.161 -1.827 1.00 0.00 H new ATOM 0 HD3 LYS A 75 16.433 3.565 -1.543 1.00 0.00 H new ATOM 0 HE2 LYS A 75 18.710 4.424 -2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 75 18.026 6.024 -2.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 19.081 5.770 -0.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 17.415 6.039 -0.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 18.051 4.478 0.108 1.00 0.00 H new ATOM 1155 N VAL A 76 12.582 2.003 -5.918 1.00 0.00 N ATOM 1156 CA VAL A 76 11.242 1.871 -6.482 1.00 0.00 C ATOM 1157 C VAL A 76 10.289 1.523 -5.296 1.00 0.00 C ATOM 1158 O VAL A 76 10.575 0.572 -4.566 1.00 0.00 O ATOM 1159 CB VAL A 76 11.474 0.755 -7.557 1.00 0.00 C ATOM 1160 CG1 VAL A 76 10.572 -0.460 -7.466 1.00 0.00 C ATOM 1161 CG2 VAL A 76 11.504 1.321 -8.971 1.00 0.00 C ATOM 0 H VAL A 76 12.948 1.123 -5.554 1.00 0.00 H new ATOM 0 HA VAL A 76 10.776 2.736 -6.953 1.00 0.00 H new ATOM 0 HB VAL A 76 12.463 0.369 -7.308 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.826 -1.162 -8.260 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.708 -0.942 -6.498 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.533 -0.150 -7.574 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.667 0.512 -9.683 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.554 1.809 -9.188 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.313 2.047 -9.055 1.00 0.00 H new ATOM 1171 N PRO A 77 9.126 2.171 -5.097 1.00 0.00 N ATOM 1172 CA PRO A 77 8.253 1.887 -3.943 1.00 0.00 C ATOM 1173 C PRO A 77 7.310 0.680 -4.145 1.00 0.00 C ATOM 1174 O PRO A 77 6.697 0.441 -5.190 1.00 0.00 O ATOM 1175 CB PRO A 77 7.518 3.226 -3.791 1.00 0.00 C ATOM 1176 CG PRO A 77 7.430 3.789 -5.215 1.00 0.00 C ATOM 1177 CD PRO A 77 8.655 3.246 -5.967 1.00 0.00 C ATOM 0 HA PRO A 77 8.797 1.576 -3.051 1.00 0.00 H new ATOM 0 HB2 PRO A 77 6.527 3.086 -3.359 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.061 3.903 -3.131 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.505 3.477 -5.701 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.432 4.879 -5.204 1.00 0.00 H new ATOM 0 HD2 PRO A 77 8.389 2.876 -6.957 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.416 4.014 -6.107 1.00 0.00 H new ATOM 1185 N ALA A 78 7.262 -0.049 -3.040 1.00 0.00 N ATOM 1186 CA ALA A 78 6.505 -1.286 -2.857 1.00 0.00 C ATOM 1187 C ALA A 78 5.696 -1.155 -1.543 1.00 0.00 C ATOM 1188 O ALA A 78 5.923 -0.283 -0.693 1.00 0.00 O ATOM 1189 CB ALA A 78 7.557 -2.399 -2.821 1.00 0.00 C ATOM 0 H ALA A 78 7.776 0.218 -2.200 1.00 0.00 H new ATOM 0 HA ALA A 78 5.784 -1.502 -3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.064 -3.362 -2.686 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.113 -2.405 -3.759 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.244 -2.224 -1.993 1.00 0.00 H new ATOM 1195 N PHE A 79 4.721 -2.055 -1.398 1.00 0.00 N ATOM 1196 CA PHE A 79 3.726 -1.971 -0.302 1.00 0.00 C ATOM 1197 C PHE A 79 3.384 -3.369 0.326 1.00 0.00 C ATOM 1198 O PHE A 79 3.839 -4.456 -0.033 1.00 0.00 O ATOM 1199 CB PHE A 79 2.551 -1.065 -0.810 1.00 0.00 C ATOM 1200 CG PHE A 79 1.292 -1.815 -1.261 1.00 0.00 C ATOM 1201 CD1 PHE A 79 1.362 -2.735 -2.309 1.00 0.00 C ATOM 1202 CD2 PHE A 79 0.121 -1.702 -0.515 1.00 0.00 C ATOM 1203 CE1 PHE A 79 0.269 -3.548 -2.598 1.00 0.00 C ATOM 1204 CE2 PHE A 79 -0.967 -2.526 -0.790 1.00 0.00 C ATOM 1205 CZ PHE A 79 -0.890 -3.448 -1.829 1.00 0.00 C ATOM 0 H PHE A 79 4.591 -2.853 -2.020 1.00 0.00 H new ATOM 0 HA PHE A 79 4.122 -1.477 0.585 1.00 0.00 H new ATOM 0 HB2 PHE A 79 2.276 -0.374 -0.013 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.913 -0.463 -1.643 1.00 0.00 H new ATOM 0 HD1 PHE A 79 2.265 -2.816 -2.896 1.00 0.00 H new ATOM 0 HD2 PHE A 79 0.057 -0.973 0.279 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.319 -4.253 -3.414 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.868 -2.450 -0.199 1.00 0.00 H new ATOM 0 HZ PHE A 79 -1.732 -4.090 -2.041 1.00 0.00 H new ATOM 1215 N LYS A 80 2.593 -3.129 1.356 1.00 0.00 N ATOM 1216 CA LYS A 80 2.003 -3.973 2.394 1.00 0.00 C ATOM 1217 C LYS A 80 0.891 -5.023 2.307 1.00 0.00 C ATOM 1218 O LYS A 80 0.148 -5.055 3.281 1.00 0.00 O ATOM 1219 CB LYS A 80 1.634 -2.834 3.490 1.00 0.00 C ATOM 1220 CG LYS A 80 1.564 -1.296 3.269 1.00 0.00 C ATOM 1221 CD LYS A 80 0.175 -0.750 2.910 1.00 0.00 C ATOM 1222 CE LYS A 80 -0.639 -0.305 4.130 1.00 0.00 C ATOM 1223 NZ LYS A 80 -1.972 0.107 3.686 1.00 0.00 N ATOM 0 H LYS A 80 2.297 -2.166 1.512 1.00 0.00 H new ATOM 0 HA LYS A 80 2.739 -4.768 2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.653 -3.113 3.875 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.348 -2.975 4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.909 -0.799 4.175 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.259 -1.027 2.474 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.289 0.095 2.231 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.381 -1.518 2.372 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.717 -1.120 4.849 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.139 0.520 4.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.296 0.911 4.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.933 0.389 2.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.635 -0.686 3.796 1.00 0.00 H new ATOM 1236 N PRO A 81 0.833 -6.062 1.434 1.00 0.00 N ATOM 1237 CA PRO A 81 -0.058 -7.223 1.697 1.00 0.00 C ATOM 1238 C PRO A 81 0.252 -8.119 2.944 1.00 0.00 C ATOM 1239 O PRO A 81 -0.602 -8.935 3.297 1.00 0.00 O ATOM 1240 CB PRO A 81 -0.060 -7.988 0.364 1.00 0.00 C ATOM 1241 CG PRO A 81 0.394 -6.951 -0.662 1.00 0.00 C ATOM 1242 CD PRO A 81 1.374 -6.055 0.078 1.00 0.00 C ATOM 0 HA PRO A 81 -1.041 -6.866 2.004 1.00 0.00 H new ATOM 0 HB2 PRO A 81 0.617 -8.842 0.394 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -1.051 -8.375 0.128 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.868 -7.428 -1.520 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -0.452 -6.378 -1.043 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.391 -6.447 0.043 1.00 0.00 H new ATOM 0 HD3 PRO A 81 1.405 -5.050 -0.343 1.00 0.00 H new ATOM 1250 N GLY A 82 1.390 -7.849 3.631 1.00 0.00 N ATOM 1251 CA GLY A 82 1.967 -8.552 4.821 1.00 0.00 C ATOM 1252 C GLY A 82 1.577 -9.953 5.262 1.00 0.00 C ATOM 1253 O GLY A 82 1.621 -10.274 6.453 1.00 0.00 O ATOM 0 H GLY A 82 1.983 -7.069 3.349 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.046 -8.573 4.666 1.00 0.00 H new ATOM 0 HA3 GLY A 82 1.780 -7.903 5.676 1.00 0.00 H new ATOM 1257 N LYS A 83 1.212 -10.726 4.246 1.00 0.00 N ATOM 1258 CA LYS A 83 0.542 -12.069 4.392 1.00 0.00 C ATOM 1259 C LYS A 83 -0.939 -12.016 4.898 1.00 0.00 C ATOM 1260 O LYS A 83 -1.847 -12.624 4.331 1.00 0.00 O ATOM 1261 CB LYS A 83 1.349 -13.107 5.234 1.00 0.00 C ATOM 1262 CG LYS A 83 2.111 -14.175 4.419 1.00 0.00 C ATOM 1263 CD LYS A 83 3.256 -13.628 3.540 1.00 0.00 C ATOM 1264 CE LYS A 83 3.998 -14.740 2.778 1.00 0.00 C ATOM 1265 NZ LYS A 83 5.066 -14.190 1.926 1.00 0.00 N ATOM 0 H LYS A 83 1.363 -10.459 3.273 1.00 0.00 H new ATOM 0 HA LYS A 83 0.521 -12.419 3.360 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.066 -12.568 5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.661 -13.614 5.911 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.522 -14.912 5.109 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.400 -14.699 3.780 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.851 -12.911 2.826 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.964 -13.087 4.167 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.426 -15.447 3.489 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.290 -15.296 2.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.546 -14.966 1.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.653 -13.534 1.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.754 -13.681 2.517 1.00 0.00 H new ATOM 1278 N ALA A 84 -1.114 -11.328 6.028 1.00 0.00 N ATOM 1279 CA ALA A 84 -2.385 -11.046 6.715 1.00 0.00 C ATOM 1280 C ALA A 84 -3.478 -10.362 5.869 1.00 0.00 C ATOM 1281 O ALA A 84 -4.624 -10.820 5.903 1.00 0.00 O ATOM 1282 CB ALA A 84 -1.952 -10.107 7.838 1.00 0.00 C ATOM 0 H ALA A 84 -0.320 -10.924 6.525 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.858 -11.981 7.016 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.822 -9.822 8.429 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.229 -10.614 8.477 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -1.495 -9.214 7.410 1.00 0.00 H new ATOM 1288 N LEU A 85 -3.141 -9.277 5.128 1.00 0.00 N ATOM 1289 CA LEU A 85 -4.063 -8.691 4.144 1.00 0.00 C ATOM 1290 C LEU A 85 -4.332 -9.693 2.978 1.00 0.00 C ATOM 1291 O LEU A 85 -5.486 -9.797 2.572 1.00 0.00 O ATOM 1292 CB LEU A 85 -3.524 -7.320 3.673 1.00 0.00 C ATOM 1293 CG LEU A 85 -4.434 -6.630 2.638 1.00 0.00 C ATOM 1294 CD1 LEU A 85 -5.666 -5.959 3.262 1.00 0.00 C ATOM 1295 CD2 LEU A 85 -3.681 -5.666 1.704 1.00 0.00 C ATOM 0 H LEU A 85 -2.243 -8.799 5.198 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.033 -8.505 4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.408 -6.666 4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.532 -7.456 3.241 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.801 -7.445 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.263 -5.493 2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.266 -6.708 3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.345 -5.199 3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.383 -5.217 1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.207 -4.882 2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.918 -6.215 1.152 1.00 0.00 H new ATOM 1307 N LYS A 86 -3.320 -10.411 2.447 1.00 0.00 N ATOM 1308 CA LYS A 86 -3.543 -11.503 1.456 1.00 0.00 C ATOM 1309 C LYS A 86 -4.595 -12.591 1.900 1.00 0.00 C ATOM 1310 O LYS A 86 -5.243 -13.180 1.034 1.00 0.00 O ATOM 1311 CB LYS A 86 -2.160 -12.071 1.040 1.00 0.00 C ATOM 1312 CG LYS A 86 -2.159 -12.972 -0.214 1.00 0.00 C ATOM 1313 CD LYS A 86 -0.757 -13.433 -0.669 1.00 0.00 C ATOM 1314 CE LYS A 86 -0.054 -14.414 0.292 1.00 0.00 C ATOM 1315 NZ LYS A 86 1.258 -14.835 -0.229 1.00 0.00 N ATOM 0 H LYS A 86 -2.339 -10.260 2.683 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.028 -11.083 0.575 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.482 -11.236 0.866 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.755 -12.642 1.876 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.770 -13.852 -0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.634 -12.433 -1.034 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.845 -13.906 -1.647 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.124 -12.554 -0.795 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.075 -13.941 1.266 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.684 -15.290 0.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.703 -15.494 0.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.132 -15.308 -1.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.867 -14.001 -0.350 1.00 0.00 H new ATOM 1328 N ASP A 87 -4.786 -12.810 3.223 1.00 0.00 N ATOM 1329 CA ASP A 87 -5.874 -13.628 3.803 1.00 0.00 C ATOM 1330 C ASP A 87 -7.254 -12.889 3.817 1.00 0.00 C ATOM 1331 O ASP A 87 -8.251 -13.496 3.415 1.00 0.00 O ATOM 1332 CB ASP A 87 -5.380 -14.020 5.223 1.00 0.00 C ATOM 1333 CG ASP A 87 -5.460 -15.524 5.502 1.00 0.00 C ATOM 1334 OD1 ASP A 87 -6.392 -16.051 6.107 1.00 0.00 O ATOM 1335 OD2 ASP A 87 -4.383 -16.203 4.992 1.00 0.00 O ATOM 0 H ASP A 87 -4.171 -12.412 3.933 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.070 -14.512 3.196 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.348 -13.690 5.345 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.974 -13.488 5.966 1.00 0.00 H new ATOM 1341 N ALA A 88 -7.315 -11.609 4.269 1.00 0.00 N ATOM 1342 CA ALA A 88 -8.527 -10.736 4.156 1.00 0.00 C ATOM 1343 C ALA A 88 -9.156 -10.654 2.732 1.00 0.00 C ATOM 1344 O ALA A 88 -10.371 -10.765 2.554 1.00 0.00 O ATOM 1345 CB ALA A 88 -8.138 -9.278 4.529 1.00 0.00 C ATOM 0 H ALA A 88 -6.527 -11.147 4.724 1.00 0.00 H new ATOM 0 HA ALA A 88 -9.259 -11.191 4.823 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -9.015 -8.636 4.449 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.761 -9.252 5.551 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.365 -8.922 3.848 1.00 0.00 H new ATOM 1351 N VAL A 89 -8.266 -10.466 1.748 1.00 0.00 N ATOM 1352 CA VAL A 89 -8.564 -10.241 0.332 1.00 0.00 C ATOM 1353 C VAL A 89 -8.662 -11.534 -0.567 1.00 0.00 C ATOM 1354 O VAL A 89 -8.847 -11.405 -1.781 1.00 0.00 O ATOM 1355 CB VAL A 89 -7.389 -9.225 0.040 1.00 0.00 C ATOM 1356 CG1 VAL A 89 -6.129 -9.864 -0.551 1.00 0.00 C ATOM 1357 CG2 VAL A 89 -7.857 -8.071 -0.808 1.00 0.00 C ATOM 0 H VAL A 89 -7.263 -10.467 1.932 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.560 -9.869 0.093 1.00 0.00 H new ATOM 0 HB VAL A 89 -7.093 -8.848 1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.376 -9.095 -0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.739 -10.608 0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.375 -10.345 -1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.024 -7.392 -0.990 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.232 -8.447 -1.760 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.654 -7.538 -0.289 1.00 0.00 H new ATOM 1367 N LYS A 90 -8.555 -12.749 0.021 1.00 0.00 N ATOM 1368 CA LYS A 90 -8.522 -14.041 -0.698 1.00 0.00 C ATOM 1369 C LYS A 90 -9.904 -14.449 -1.235 1.00 0.00 C ATOM 1370 O LYS A 90 -10.254 -14.145 -2.375 1.00 0.00 O ATOM 1371 CB LYS A 90 -7.977 -15.087 0.313 1.00 0.00 C ATOM 1372 CG LYS A 90 -7.283 -16.321 -0.300 1.00 0.00 C ATOM 1373 CD LYS A 90 -6.403 -17.112 0.700 1.00 0.00 C ATOM 1374 CE LYS A 90 -7.139 -17.963 1.759 1.00 0.00 C ATOM 1375 NZ LYS A 90 -7.650 -17.178 2.900 1.00 0.00 N ATOM 0 H LYS A 90 -8.488 -12.859 1.033 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.884 -13.968 -1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.269 -14.588 0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.806 -15.431 0.932 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.043 -16.988 -0.705 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.663 -15.998 -1.137 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.750 -17.772 0.129 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.761 -16.402 1.222 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.972 -18.479 1.282 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.460 -18.730 2.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.271 -17.567 3.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.351 -16.187 2.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.689 -17.226 2.917 1.00 0.00 H new ATOM 1389 N MET B 1 9.443 0.225 10.671 1.00 0.00 N ATOM 1390 CA MET B 1 8.518 0.273 11.809 1.00 0.00 C ATOM 1391 C MET B 1 8.056 -1.157 12.240 1.00 0.00 C ATOM 1392 O MET B 1 8.909 -2.005 12.515 1.00 0.00 O ATOM 1393 CB MET B 1 7.499 1.454 11.675 1.00 0.00 C ATOM 1394 CG MET B 1 6.583 1.570 10.454 1.00 0.00 C ATOM 1395 SD MET B 1 5.830 3.217 10.390 1.00 0.00 S ATOM 1396 CE MET B 1 6.999 4.181 9.390 1.00 0.00 C ATOM 0 H1 MET B 1 9.316 1.074 10.084 1.00 0.00 H new ATOM 0 H2 MET B 1 10.422 0.189 11.021 1.00 0.00 H new ATOM 0 H3 MET B 1 9.248 -0.622 10.101 1.00 0.00 H new ATOM 0 HA MET B 1 9.015 0.577 12.730 1.00 0.00 H new ATOM 0 HB2 MET B 1 6.856 1.422 12.555 1.00 0.00 H new ATOM 0 HB3 MET B 1 8.073 2.379 11.733 1.00 0.00 H new ATOM 0 HG2 MET B 1 7.154 1.388 9.544 1.00 0.00 H new ATOM 0 HG3 MET B 1 5.805 0.808 10.500 1.00 0.00 H new ATOM 0 HE1 MET B 1 7.321 5.058 9.951 1.00 0.00 H new ATOM 0 HE2 MET B 1 7.866 3.566 9.150 1.00 0.00 H new ATOM 0 HE3 MET B 1 6.513 4.499 8.468 1.00 0.00 H new ATOM 1407 N ASN B 2 6.739 -1.396 12.342 1.00 0.00 N ATOM 1408 CA ASN B 2 6.092 -2.674 12.811 1.00 0.00 C ATOM 1409 C ASN B 2 4.547 -2.568 12.972 1.00 0.00 C ATOM 1410 O ASN B 2 3.864 -3.568 12.761 1.00 0.00 O ATOM 1411 CB ASN B 2 6.664 -3.447 14.040 1.00 0.00 C ATOM 1412 CG ASN B 2 6.476 -2.856 15.453 1.00 0.00 C ATOM 1413 OD1 ASN B 2 5.399 -2.960 16.036 1.00 0.00 O ATOM 1414 ND2 ASN B 2 7.512 -2.294 16.051 1.00 0.00 N ATOM 0 H ASN B 2 6.050 -0.686 12.094 1.00 0.00 H new ATOM 0 HA ASN B 2 6.380 -3.291 11.960 1.00 0.00 H new ATOM 0 HB2 ASN B 2 6.219 -4.442 14.038 1.00 0.00 H new ATOM 0 HB3 ASN B 2 7.734 -3.576 13.878 1.00 0.00 H new ATOM 0 HD21 ASN B 2 7.422 -1.942 17.004 1.00 0.00 H new ATOM 0 HD22 ASN B 2 8.402 -2.212 15.559 1.00 0.00 H new ATOM 1421 N LYS B 3 4.074 -1.373 13.364 1.00 0.00 N ATOM 1422 CA LYS B 3 2.674 -0.974 13.702 1.00 0.00 C ATOM 1423 C LYS B 3 2.683 -0.090 14.991 1.00 0.00 C ATOM 1424 O LYS B 3 1.810 0.764 15.122 1.00 0.00 O ATOM 1425 CB LYS B 3 1.567 -2.065 13.837 1.00 0.00 C ATOM 1426 CG LYS B 3 0.116 -1.540 13.687 1.00 0.00 C ATOM 1427 CD LYS B 3 -0.993 -2.605 13.832 1.00 0.00 C ATOM 1428 CE LYS B 3 -1.266 -3.106 15.267 1.00 0.00 C ATOM 1429 NZ LYS B 3 -1.894 -2.086 16.130 1.00 0.00 N ATOM 0 H LYS B 3 4.710 -0.582 13.465 1.00 0.00 H new ATOM 0 HA LYS B 3 2.367 -0.446 12.799 1.00 0.00 H new ATOM 0 HB2 LYS B 3 1.740 -2.834 13.084 1.00 0.00 H new ATOM 0 HB3 LYS B 3 1.666 -2.545 14.811 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -0.050 -0.763 14.433 1.00 0.00 H new ATOM 0 HG3 LYS B 3 0.018 -1.069 12.709 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -1.919 -2.194 13.429 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -0.729 -3.462 13.213 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -1.913 -3.982 15.222 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -0.327 -3.426 15.718 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -2.051 -2.483 17.078 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -1.269 -1.258 16.200 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -2.805 -1.798 15.720 1.00 0.00 H new ATOM 1442 N THR B 4 3.621 -0.309 15.931 1.00 0.00 N ATOM 1443 CA THR B 4 3.843 0.434 17.152 1.00 0.00 C ATOM 1444 C THR B 4 4.823 1.622 16.949 1.00 0.00 C ATOM 1445 O THR B 4 4.575 2.680 17.533 1.00 0.00 O ATOM 1446 CB THR B 4 4.346 -0.643 18.134 1.00 0.00 C ATOM 1447 OG1 THR B 4 3.382 -1.677 18.348 1.00 0.00 O ATOM 1448 CG2 THR B 4 4.617 0.004 19.459 1.00 0.00 C ATOM 0 H THR B 4 4.288 -1.074 15.834 1.00 0.00 H new ATOM 0 HA THR B 4 2.949 0.932 17.528 1.00 0.00 H new ATOM 0 HB THR B 4 5.242 -1.088 17.701 1.00 0.00 H new ATOM 0 HG1 THR B 4 3.744 -2.337 18.975 1.00 0.00 H new ATOM 0 HG21 THR B 4 4.974 -0.747 20.164 1.00 0.00 H new ATOM 0 HG22 THR B 4 5.375 0.778 19.338 1.00 0.00 H new ATOM 0 HG23 THR B 4 3.699 0.452 19.840 1.00 0.00 H new ATOM 1456 N GLU B 5 5.934 1.463 16.184 1.00 0.00 N ATOM 1457 CA GLU B 5 6.737 2.651 15.747 1.00 0.00 C ATOM 1458 C GLU B 5 5.884 3.610 14.823 1.00 0.00 C ATOM 1459 O GLU B 5 6.210 4.793 14.695 1.00 0.00 O ATOM 1460 CB GLU B 5 8.125 2.327 15.126 1.00 0.00 C ATOM 1461 CG GLU B 5 8.881 1.050 15.549 1.00 0.00 C ATOM 1462 CD GLU B 5 9.339 1.035 17.012 1.00 0.00 C ATOM 1463 OE1 GLU B 5 10.375 1.573 17.400 1.00 0.00 O ATOM 1464 OE2 GLU B 5 8.466 0.359 17.825 1.00 0.00 O ATOM 0 H GLU B 5 6.290 0.563 15.863 1.00 0.00 H new ATOM 0 HA GLU B 5 6.980 3.177 16.670 1.00 0.00 H new ATOM 0 HB2 GLU B 5 7.994 2.283 14.045 1.00 0.00 H new ATOM 0 HB3 GLU B 5 8.779 3.174 15.333 1.00 0.00 H new ATOM 0 HG2 GLU B 5 8.237 0.188 15.375 1.00 0.00 H new ATOM 0 HG3 GLU B 5 9.754 0.931 14.907 1.00 0.00 H new ATOM 1472 N LEU B 6 4.780 3.082 14.225 1.00 0.00 N ATOM 1473 CA LEU B 6 3.692 3.874 13.622 1.00 0.00 C ATOM 1474 C LEU B 6 3.015 4.822 14.647 1.00 0.00 C ATOM 1475 O LEU B 6 2.968 6.020 14.407 1.00 0.00 O ATOM 1476 CB LEU B 6 2.627 2.885 13.034 1.00 0.00 C ATOM 1477 CG LEU B 6 2.128 3.217 11.616 1.00 0.00 C ATOM 1478 CD1 LEU B 6 1.225 2.103 11.051 1.00 0.00 C ATOM 1479 CD2 LEU B 6 1.512 4.624 11.541 1.00 0.00 C ATOM 0 H LEU B 6 4.627 2.076 14.152 1.00 0.00 H new ATOM 0 HA LEU B 6 4.118 4.502 12.839 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.054 1.882 13.025 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.769 2.860 13.706 1.00 0.00 H new ATOM 0 HG LEU B 6 2.994 3.248 10.955 1.00 0.00 H new ATOM 0 HD11 LEU B 6 0.894 2.376 10.049 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.785 1.169 11.006 1.00 0.00 H new ATOM 0 HD13 LEU B 6 0.357 1.975 11.698 1.00 0.00 H new ATOM 0 HD21 LEU B 6 1.172 4.819 10.524 1.00 0.00 H new ATOM 0 HD22 LEU B 6 0.665 4.687 12.225 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.261 5.365 11.822 1.00 0.00 H new ATOM 1491 N ILE B 7 2.542 4.278 15.782 1.00 0.00 N ATOM 1492 CA ILE B 7 1.865 5.008 16.890 1.00 0.00 C ATOM 1493 C ILE B 7 2.708 6.201 17.417 1.00 0.00 C ATOM 1494 O ILE B 7 2.193 7.318 17.503 1.00 0.00 O ATOM 1495 CB ILE B 7 1.500 4.021 18.060 1.00 0.00 C ATOM 1496 CG1 ILE B 7 0.866 2.690 17.588 1.00 0.00 C ATOM 1497 CG2 ILE B 7 0.570 4.694 19.082 1.00 0.00 C ATOM 1498 CD1 ILE B 7 0.689 1.582 18.634 1.00 0.00 C ATOM 0 H ILE B 7 2.620 3.278 15.969 1.00 0.00 H new ATOM 0 HA ILE B 7 0.945 5.428 16.483 1.00 0.00 H new ATOM 0 HB ILE B 7 2.453 3.771 18.527 1.00 0.00 H new ATOM 0 HG12 ILE B 7 -0.114 2.915 17.166 1.00 0.00 H new ATOM 0 HG13 ILE B 7 1.478 2.294 16.778 1.00 0.00 H new ATOM 0 HG21 ILE B 7 0.334 3.989 19.879 1.00 0.00 H new ATOM 0 HG22 ILE B 7 1.066 5.568 19.505 1.00 0.00 H new ATOM 0 HG23 ILE B 7 -0.351 5.004 18.587 1.00 0.00 H new ATOM 0 HD11 ILE B 7 0.234 0.709 18.166 1.00 0.00 H new ATOM 0 HD12 ILE B 7 1.662 1.309 19.043 1.00 0.00 H new ATOM 0 HD13 ILE B 7 0.045 1.940 19.437 1.00 0.00 H new ATOM 1510 N ASN B 8 3.989 5.945 17.749 1.00 0.00 N ATOM 1511 CA ASN B 8 4.938 7.017 18.152 1.00 0.00 C ATOM 1512 C ASN B 8 5.283 8.047 17.030 1.00 0.00 C ATOM 1513 O ASN B 8 5.717 9.147 17.375 1.00 0.00 O ATOM 1514 CB ASN B 8 6.225 6.409 18.776 1.00 0.00 C ATOM 1515 CG ASN B 8 6.022 5.602 20.077 1.00 0.00 C ATOM 1516 OD1 ASN B 8 5.693 6.153 21.128 1.00 0.00 O ATOM 1517 ND2 ASN B 8 6.208 4.290 20.033 1.00 0.00 N ATOM 0 H ASN B 8 4.395 5.009 17.748 1.00 0.00 H new ATOM 0 HA ASN B 8 4.410 7.598 18.908 1.00 0.00 H new ATOM 0 HB2 ASN B 8 6.693 5.759 18.037 1.00 0.00 H new ATOM 0 HB3 ASN B 8 6.926 7.219 18.978 1.00 0.00 H new ATOM 0 HD21 ASN B 8 6.079 3.728 20.874 1.00 0.00 H new ATOM 0 HD22 ASN B 8 6.480 3.843 19.158 1.00 0.00 H new ATOM 1524 N ALA B 9 5.091 7.735 15.727 1.00 0.00 N ATOM 1525 CA ALA B 9 5.161 8.748 14.641 1.00 0.00 C ATOM 1526 C ALA B 9 4.013 9.769 14.671 1.00 0.00 C ATOM 1527 O ALA B 9 4.244 10.965 14.504 1.00 0.00 O ATOM 1528 CB ALA B 9 5.007 8.061 13.262 1.00 0.00 C ATOM 0 H ALA B 9 4.886 6.791 15.400 1.00 0.00 H new ATOM 0 HA ALA B 9 6.121 9.243 14.792 1.00 0.00 H new ATOM 0 HB1 ALA B 9 5.060 8.812 12.474 1.00 0.00 H new ATOM 0 HB2 ALA B 9 5.808 7.335 13.126 1.00 0.00 H new ATOM 0 HB3 ALA B 9 4.044 7.552 13.215 1.00 0.00 H new ATOM 1534 N VAL B 10 2.783 9.265 14.850 1.00 0.00 N ATOM 1535 CA VAL B 10 1.533 10.031 14.809 1.00 0.00 C ATOM 1536 C VAL B 10 1.426 10.947 15.998 1.00 0.00 C ATOM 1537 O VAL B 10 1.283 12.157 15.847 1.00 0.00 O ATOM 1538 CB VAL B 10 0.265 9.135 14.656 1.00 0.00 C ATOM 1539 CG1 VAL B 10 -0.908 9.830 13.985 1.00 0.00 C ATOM 1540 CG2 VAL B 10 0.573 7.855 13.905 1.00 0.00 C ATOM 0 H VAL B 10 2.628 8.274 15.034 1.00 0.00 H new ATOM 0 HA VAL B 10 1.573 10.642 13.907 1.00 0.00 H new ATOM 0 HB VAL B 10 -0.033 8.907 15.679 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -1.749 9.140 13.917 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -1.200 10.701 14.572 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -0.618 10.149 12.984 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -0.334 7.257 13.818 1.00 0.00 H new ATOM 0 HG22 VAL B 10 0.944 8.098 12.909 1.00 0.00 H new ATOM 0 HG23 VAL B 10 1.331 7.289 14.447 1.00 0.00 H new ATOM 1550 N ALA B 11 1.550 10.322 17.169 1.00 0.00 N ATOM 1551 CA ALA B 11 1.569 11.044 18.421 1.00 0.00 C ATOM 1552 C ALA B 11 2.761 12.012 18.630 1.00 0.00 C ATOM 1553 O ALA B 11 2.587 12.984 19.371 1.00 0.00 O ATOM 1554 CB ALA B 11 1.414 10.007 19.536 1.00 0.00 C ATOM 0 H ALA B 11 1.639 9.311 17.266 1.00 0.00 H new ATOM 0 HA ALA B 11 0.736 11.747 18.425 1.00 0.00 H new ATOM 0 HB1 ALA B 11 1.423 10.509 20.504 1.00 0.00 H new ATOM 0 HB2 ALA B 11 0.470 9.477 19.411 1.00 0.00 H new ATOM 0 HB3 ALA B 11 2.239 9.296 19.489 1.00 0.00 H new ATOM 1560 N GLU B 12 3.934 11.786 17.980 1.00 0.00 N ATOM 1561 CA GLU B 12 5.023 12.791 17.979 1.00 0.00 C ATOM 1562 C GLU B 12 4.737 13.938 16.970 1.00 0.00 C ATOM 1563 O GLU B 12 4.854 15.098 17.378 1.00 0.00 O ATOM 1564 CB GLU B 12 6.410 12.119 17.786 1.00 0.00 C ATOM 1565 CG GLU B 12 7.655 13.030 17.898 1.00 0.00 C ATOM 1566 CD GLU B 12 7.881 13.626 19.292 1.00 0.00 C ATOM 1567 OE1 GLU B 12 7.512 14.756 19.612 1.00 0.00 O ATOM 1568 OE2 GLU B 12 8.531 12.756 20.130 1.00 0.00 O ATOM 0 H GLU B 12 4.144 10.934 17.461 1.00 0.00 H new ATOM 0 HA GLU B 12 5.056 13.264 18.960 1.00 0.00 H new ATOM 0 HB2 GLU B 12 6.506 11.323 18.524 1.00 0.00 H new ATOM 0 HB3 GLU B 12 6.423 11.647 16.804 1.00 0.00 H new ATOM 0 HG2 GLU B 12 8.537 12.456 17.615 1.00 0.00 H new ATOM 0 HG3 GLU B 12 7.560 13.844 17.179 1.00 0.00 H new ATOM 1576 N THR B 13 4.358 13.650 15.700 1.00 0.00 N ATOM 1577 CA THR B 13 4.079 14.732 14.692 1.00 0.00 C ATOM 1578 C THR B 13 2.631 15.302 14.571 1.00 0.00 C ATOM 1579 O THR B 13 2.301 16.025 13.625 1.00 0.00 O ATOM 1580 CB THR B 13 4.789 14.355 13.371 1.00 0.00 C ATOM 1581 OG1 THR B 13 5.285 15.524 12.726 1.00 0.00 O ATOM 1582 CG2 THR B 13 4.011 13.538 12.345 1.00 0.00 C ATOM 0 H THR B 13 4.237 12.702 15.344 1.00 0.00 H new ATOM 0 HA THR B 13 4.513 15.648 15.093 1.00 0.00 H new ATOM 0 HB THR B 13 5.576 13.685 13.715 1.00 0.00 H new ATOM 0 HG1 THR B 13 5.734 15.272 11.892 1.00 0.00 H new ATOM 0 HG21 THR B 13 4.640 13.353 11.474 1.00 0.00 H new ATOM 0 HG22 THR B 13 3.714 12.587 12.787 1.00 0.00 H new ATOM 0 HG23 THR B 13 3.122 14.089 12.039 1.00 0.00 H new ATOM 1590 N SER B 14 1.818 15.005 15.583 1.00 0.00 N ATOM 1591 CA SER B 14 0.416 15.497 15.718 1.00 0.00 C ATOM 1592 C SER B 14 0.045 15.922 17.170 1.00 0.00 C ATOM 1593 O SER B 14 -0.701 16.895 17.318 1.00 0.00 O ATOM 1594 CB SER B 14 -0.642 14.495 15.190 1.00 0.00 C ATOM 1595 OG SER B 14 -0.396 14.129 13.839 1.00 0.00 O ATOM 0 H SER B 14 2.105 14.405 16.356 1.00 0.00 H new ATOM 0 HA SER B 14 0.392 16.385 15.086 1.00 0.00 H new ATOM 0 HB2 SER B 14 -0.640 13.602 15.815 1.00 0.00 H new ATOM 0 HB3 SER B 14 -1.634 14.938 15.271 1.00 0.00 H new ATOM 0 HG SER B 14 -1.082 13.495 13.542 1.00 0.00 H new ATOM 1601 N GLY B 15 0.506 15.215 18.228 1.00 0.00 N ATOM 1602 CA GLY B 15 0.115 15.524 19.629 1.00 0.00 C ATOM 1603 C GLY B 15 -1.338 15.187 20.013 1.00 0.00 C ATOM 1604 O GLY B 15 -2.125 16.050 20.409 1.00 0.00 O ATOM 0 H GLY B 15 1.148 14.427 18.141 1.00 0.00 H new ATOM 0 HA2 GLY B 15 0.782 14.983 20.300 1.00 0.00 H new ATOM 0 HA3 GLY B 15 0.280 16.587 19.805 1.00 0.00 H new ATOM 1608 N LEU B 16 -1.627 13.893 19.908 1.00 0.00 N ATOM 1609 CA LEU B 16 -2.926 13.272 20.245 1.00 0.00 C ATOM 1610 C LEU B 16 -2.669 12.463 21.558 1.00 0.00 C ATOM 1611 O LEU B 16 -2.232 12.998 22.583 1.00 0.00 O ATOM 1612 CB LEU B 16 -3.647 12.755 18.942 1.00 0.00 C ATOM 1613 CG LEU B 16 -2.762 11.936 17.989 1.00 0.00 C ATOM 1614 CD1 LEU B 16 -1.888 10.902 18.608 1.00 0.00 C ATOM 1615 CD2 LEU B 16 -3.087 11.577 16.530 1.00 0.00 C ATOM 0 H LEU B 16 -0.944 13.213 19.574 1.00 0.00 H new ATOM 0 HA LEU B 16 -3.771 13.886 20.555 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -4.500 12.144 19.236 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -4.042 13.614 18.399 1.00 0.00 H new ATOM 0 HG LEU B 16 -2.279 12.890 17.779 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -1.316 10.396 17.830 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -1.204 11.377 19.311 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -2.504 10.174 19.137 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -2.271 10.989 16.110 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -4.009 10.996 16.495 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -3.212 12.491 15.950 1.00 0.00 H new ATOM 1627 N SER B 17 -2.979 11.185 21.490 1.00 0.00 N ATOM 1628 CA SER B 17 -2.660 10.163 22.517 1.00 0.00 C ATOM 1629 C SER B 17 -2.004 8.928 21.839 1.00 0.00 C ATOM 1630 O SER B 17 -2.242 8.630 20.673 1.00 0.00 O ATOM 1631 CB SER B 17 -3.900 9.742 23.326 1.00 0.00 C ATOM 1632 OG SER B 17 -4.566 10.856 23.911 1.00 0.00 O ATOM 0 H SER B 17 -3.481 10.794 20.693 1.00 0.00 H new ATOM 0 HA SER B 17 -1.959 10.607 23.223 1.00 0.00 H new ATOM 0 HB2 SER B 17 -4.592 9.208 22.675 1.00 0.00 H new ATOM 0 HB3 SER B 17 -3.601 9.047 24.111 1.00 0.00 H new ATOM 0 HG SER B 17 -5.347 10.543 24.413 1.00 0.00 H new ATOM 1638 N LYS B 18 -1.189 8.161 22.575 1.00 0.00 N ATOM 1639 CA LYS B 18 -0.651 6.844 22.091 1.00 0.00 C ATOM 1640 C LYS B 18 -1.799 5.819 21.799 1.00 0.00 C ATOM 1641 O LYS B 18 -1.773 5.142 20.770 1.00 0.00 O ATOM 1642 CB LYS B 18 0.446 6.358 23.076 1.00 0.00 C ATOM 1643 CG LYS B 18 1.356 5.239 22.528 1.00 0.00 C ATOM 1644 CD LYS B 18 2.533 4.893 23.457 1.00 0.00 C ATOM 1645 CE LYS B 18 3.418 3.771 22.881 1.00 0.00 C ATOM 1646 NZ LYS B 18 4.566 3.483 23.759 1.00 0.00 N ATOM 0 H LYS B 18 -0.876 8.414 23.512 1.00 0.00 H new ATOM 0 HA LYS B 18 -0.167 6.959 21.121 1.00 0.00 H new ATOM 0 HB2 LYS B 18 1.068 7.209 23.355 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -0.035 6.003 23.987 1.00 0.00 H new ATOM 0 HG2 LYS B 18 0.758 4.343 22.364 1.00 0.00 H new ATOM 0 HG3 LYS B 18 1.747 5.543 21.557 1.00 0.00 H new ATOM 0 HD2 LYS B 18 3.139 5.784 23.620 1.00 0.00 H new ATOM 0 HD3 LYS B 18 2.148 4.587 24.430 1.00 0.00 H new ATOM 0 HE2 LYS B 18 2.823 2.867 22.751 1.00 0.00 H new ATOM 0 HE3 LYS B 18 3.778 4.061 21.894 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 5.140 2.723 23.341 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 5.147 4.339 23.863 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 4.222 3.183 24.693 1.00 0.00 H new ATOM 1659 N LYS B 19 -2.846 5.772 22.646 1.00 0.00 N ATOM 1660 CA LYS B 19 -4.108 5.064 22.321 1.00 0.00 C ATOM 1661 C LYS B 19 -4.821 5.709 21.087 1.00 0.00 C ATOM 1662 O LYS B 19 -5.188 4.934 20.206 1.00 0.00 O ATOM 1663 CB LYS B 19 -5.006 5.004 23.589 1.00 0.00 C ATOM 1664 CG LYS B 19 -6.259 4.094 23.496 1.00 0.00 C ATOM 1665 CD LYS B 19 -6.087 2.616 23.923 1.00 0.00 C ATOM 1666 CE LYS B 19 -5.200 1.704 23.050 1.00 0.00 C ATOM 1667 NZ LYS B 19 -5.721 1.515 21.684 1.00 0.00 N ATOM 0 H LYS B 19 -2.846 6.216 23.564 1.00 0.00 H new ATOM 0 HA LYS B 19 -3.888 4.038 22.025 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -4.396 4.663 24.426 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -5.334 6.016 23.825 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -7.044 4.535 24.110 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -6.614 4.110 22.465 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -5.681 2.607 24.934 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -7.079 2.166 23.974 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -4.198 2.130 22.993 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -5.106 0.731 23.533 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -5.080 0.894 21.151 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -6.665 1.081 21.729 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -5.786 2.437 21.207 1.00 0.00 H new ATOM 1680 N ASP B 20 -4.973 7.058 20.969 1.00 0.00 N ATOM 1681 CA ASP B 20 -5.584 7.686 19.749 1.00 0.00 C ATOM 1682 C ASP B 20 -4.793 7.541 18.414 1.00 0.00 C ATOM 1683 O ASP B 20 -5.422 7.558 17.357 1.00 0.00 O ATOM 1684 CB ASP B 20 -5.913 9.187 19.996 1.00 0.00 C ATOM 1685 CG ASP B 20 -7.268 9.413 20.678 1.00 0.00 C ATOM 1686 OD1 ASP B 20 -8.330 9.500 20.060 1.00 0.00 O ATOM 1687 OD2 ASP B 20 -7.157 9.505 22.041 1.00 0.00 O ATOM 0 H ASP B 20 -4.689 7.726 21.686 1.00 0.00 H new ATOM 0 HA ASP B 20 -6.492 7.101 19.601 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -5.128 9.626 20.611 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -5.903 9.715 19.042 1.00 0.00 H new ATOM 1693 N ALA B 21 -3.461 7.409 18.452 1.00 0.00 N ATOM 1694 CA ALA B 21 -2.617 7.132 17.269 1.00 0.00 C ATOM 1695 C ALA B 21 -2.718 5.675 16.756 1.00 0.00 C ATOM 1696 O ALA B 21 -2.718 5.492 15.537 1.00 0.00 O ATOM 1697 CB ALA B 21 -1.174 7.516 17.629 1.00 0.00 C ATOM 0 H ALA B 21 -2.925 7.492 19.316 1.00 0.00 H new ATOM 0 HA ALA B 21 -2.978 7.731 16.433 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -0.523 7.324 16.776 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -1.132 8.574 17.886 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -0.841 6.923 18.481 1.00 0.00 H new ATOM 1703 N THR B 22 -2.816 4.657 17.638 1.00 0.00 N ATOM 1704 CA THR B 22 -2.987 3.226 17.193 1.00 0.00 C ATOM 1705 C THR B 22 -4.373 2.836 16.658 1.00 0.00 C ATOM 1706 O THR B 22 -4.526 2.079 15.698 1.00 0.00 O ATOM 1707 CB THR B 22 -2.405 2.212 18.169 1.00 0.00 C ATOM 1708 OG1 THR B 22 -1.962 1.075 17.431 1.00 0.00 O ATOM 1709 CG2 THR B 22 -2.920 1.715 19.503 1.00 0.00 C ATOM 0 H THR B 22 -2.782 4.779 18.650 1.00 0.00 H new ATOM 0 HA THR B 22 -2.367 3.182 16.298 1.00 0.00 H new ATOM 0 HB THR B 22 -1.742 2.953 18.616 1.00 0.00 H new ATOM 0 HG1 THR B 22 -2.183 0.258 17.925 1.00 0.00 H new ATOM 0 HG21 THR B 22 -2.224 0.983 19.912 1.00 0.00 H new ATOM 0 HG22 THR B 22 -3.012 2.554 20.193 1.00 0.00 H new ATOM 0 HG23 THR B 22 -3.896 1.250 19.366 1.00 0.00 H new ATOM 1717 N LYS B 23 -5.362 3.396 17.337 1.00 0.00 N ATOM 1718 CA LYS B 23 -6.740 3.556 16.856 1.00 0.00 C ATOM 1719 C LYS B 23 -6.832 4.194 15.446 1.00 0.00 C ATOM 1720 O LYS B 23 -7.453 3.588 14.582 1.00 0.00 O ATOM 1721 CB LYS B 23 -7.290 4.590 17.887 1.00 0.00 C ATOM 1722 CG LYS B 23 -7.860 4.004 19.200 1.00 0.00 C ATOM 1723 CD LYS B 23 -9.255 3.357 19.039 1.00 0.00 C ATOM 1724 CE LYS B 23 -9.892 2.861 20.352 1.00 0.00 C ATOM 1725 NZ LYS B 23 -9.233 1.662 20.904 1.00 0.00 N ATOM 0 H LYS B 23 -5.229 3.769 18.277 1.00 0.00 H new ATOM 0 HA LYS B 23 -7.261 2.602 16.778 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -6.487 5.282 18.140 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -8.073 5.174 17.403 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -7.166 3.258 19.586 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -7.921 4.797 19.945 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -9.925 4.082 18.577 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -9.173 2.516 18.351 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -9.853 3.661 21.091 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -10.945 2.640 20.176 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -9.916 1.120 21.471 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -8.882 1.069 20.125 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -8.435 1.950 21.506 1.00 0.00 H new ATOM 1738 N ALA B 24 -6.199 5.370 15.250 1.00 0.00 N ATOM 1739 CA ALA B 24 -6.139 6.107 13.973 1.00 0.00 C ATOM 1740 C ALA B 24 -5.449 5.370 12.798 1.00 0.00 C ATOM 1741 O ALA B 24 -5.912 5.477 11.668 1.00 0.00 O ATOM 1742 CB ALA B 24 -5.517 7.452 14.312 1.00 0.00 C ATOM 0 H ALA B 24 -5.700 5.847 16.001 1.00 0.00 H new ATOM 0 HA ALA B 24 -7.144 6.219 13.566 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -5.441 8.056 13.408 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -6.141 7.968 15.041 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -4.522 7.298 14.730 1.00 0.00 H new ATOM 1748 N VAL B 25 -4.378 4.608 13.067 1.00 0.00 N ATOM 1749 CA VAL B 25 -3.792 3.586 12.153 1.00 0.00 C ATOM 1750 C VAL B 25 -4.880 2.526 11.792 1.00 0.00 C ATOM 1751 O VAL B 25 -5.151 2.347 10.607 1.00 0.00 O ATOM 1752 CB VAL B 25 -2.612 3.003 13.028 1.00 0.00 C ATOM 1753 CG1 VAL B 25 -2.249 1.522 12.761 1.00 0.00 C ATOM 1754 CG2 VAL B 25 -1.369 3.879 12.903 1.00 0.00 C ATOM 0 H VAL B 25 -3.873 4.679 13.950 1.00 0.00 H new ATOM 0 HA VAL B 25 -3.439 3.959 11.191 1.00 0.00 H new ATOM 0 HB VAL B 25 -2.994 3.020 14.049 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -1.428 1.225 13.414 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -3.117 0.893 12.960 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -1.946 1.404 11.721 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -0.567 3.462 13.512 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -1.052 3.914 11.861 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -1.599 4.888 13.247 1.00 0.00 H new ATOM 1764 N ASP B 26 -5.512 1.862 12.789 1.00 0.00 N ATOM 1765 CA ASP B 26 -6.694 0.968 12.528 1.00 0.00 C ATOM 1766 C ASP B 26 -8.067 1.712 12.258 1.00 0.00 C ATOM 1767 O ASP B 26 -9.174 1.236 12.521 1.00 0.00 O ATOM 1768 CB ASP B 26 -6.829 -0.004 13.722 1.00 0.00 C ATOM 1769 CG ASP B 26 -5.689 -1.020 13.902 1.00 0.00 C ATOM 1770 OD1 ASP B 26 -4.782 -0.881 14.723 1.00 0.00 O ATOM 1771 OD2 ASP B 26 -5.798 -2.081 13.041 1.00 0.00 O ATOM 0 H ASP B 26 -5.238 1.918 13.770 1.00 0.00 H new ATOM 0 HA ASP B 26 -6.491 0.444 11.594 1.00 0.00 H new ATOM 0 HB2 ASP B 26 -6.911 0.585 14.636 1.00 0.00 H new ATOM 0 HB3 ASP B 26 -7.764 -0.554 13.612 1.00 0.00 H new ATOM 1777 N ALA B 27 -7.911 2.913 11.716 1.00 0.00 N ATOM 1778 CA ALA B 27 -8.938 3.843 11.216 1.00 0.00 C ATOM 1779 C ALA B 27 -8.682 4.138 9.712 1.00 0.00 C ATOM 1780 O ALA B 27 -9.621 4.105 8.910 1.00 0.00 O ATOM 1781 CB ALA B 27 -9.001 5.067 12.132 1.00 0.00 C ATOM 0 H ALA B 27 -6.977 3.306 11.601 1.00 0.00 H new ATOM 0 HA ALA B 27 -9.936 3.407 11.252 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -9.760 5.758 11.765 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -9.256 4.752 13.144 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -8.031 5.565 12.141 1.00 0.00 H new ATOM 1787 N VAL B 28 -7.405 4.386 9.335 1.00 0.00 N ATOM 1788 CA VAL B 28 -6.935 4.386 7.929 1.00 0.00 C ATOM 1789 C VAL B 28 -7.065 2.920 7.402 1.00 0.00 C ATOM 1790 O VAL B 28 -8.006 2.592 6.685 1.00 0.00 O ATOM 1791 CB VAL B 28 -5.436 4.865 7.763 1.00 0.00 C ATOM 1792 CG1 VAL B 28 -5.095 5.078 6.288 1.00 0.00 C ATOM 1793 CG2 VAL B 28 -5.025 6.095 8.536 1.00 0.00 C ATOM 0 H VAL B 28 -6.665 4.594 10.005 1.00 0.00 H new ATOM 0 HA VAL B 28 -7.544 5.093 7.365 1.00 0.00 H new ATOM 0 HB VAL B 28 -4.867 4.045 8.201 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -4.060 5.407 6.198 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -5.227 4.142 5.745 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -5.755 5.837 5.868 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -3.977 6.317 8.336 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -5.640 6.941 8.228 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -5.161 5.917 9.603 1.00 0.00 H new ATOM 1803 N PHE B 29 -6.151 2.071 7.899 1.00 0.00 N ATOM 1804 CA PHE B 29 -5.930 0.659 7.501 1.00 0.00 C ATOM 1805 C PHE B 29 -7.023 -0.348 7.981 1.00 0.00 C ATOM 1806 O PHE B 29 -6.764 -1.552 7.978 1.00 0.00 O ATOM 1807 CB PHE B 29 -4.503 0.225 7.984 1.00 0.00 C ATOM 1808 CG PHE B 29 -3.348 1.192 7.672 1.00 0.00 C ATOM 1809 CD1 PHE B 29 -3.071 1.522 6.346 1.00 0.00 C ATOM 1810 CD2 PHE B 29 -2.676 1.857 8.699 1.00 0.00 C ATOM 1811 CE1 PHE B 29 -2.149 2.516 6.046 1.00 0.00 C ATOM 1812 CE2 PHE B 29 -1.754 2.852 8.403 1.00 0.00 C ATOM 1813 CZ PHE B 29 -1.494 3.178 7.074 1.00 0.00 C ATOM 0 H PHE B 29 -5.505 2.363 8.633 1.00 0.00 H new ATOM 0 HA PHE B 29 -6.005 0.622 6.414 1.00 0.00 H new ATOM 0 HB2 PHE B 29 -4.539 0.074 9.063 1.00 0.00 H new ATOM 0 HB3 PHE B 29 -4.270 -0.741 7.535 1.00 0.00 H new ATOM 0 HD1 PHE B 29 -3.577 1.001 5.547 1.00 0.00 H new ATOM 0 HD2 PHE B 29 -2.874 1.596 9.728 1.00 0.00 H new ATOM 0 HE1 PHE B 29 -1.943 2.772 5.017 1.00 0.00 H new ATOM 0 HE2 PHE B 29 -1.241 3.371 9.199 1.00 0.00 H new ATOM 0 HZ PHE B 29 -0.777 3.952 6.842 1.00 0.00 H new ATOM 1823 N ASP B 30 -8.205 0.119 8.438 1.00 0.00 N ATOM 1824 CA ASP B 30 -9.420 -0.728 8.605 1.00 0.00 C ATOM 1825 C ASP B 30 -10.391 -0.484 7.415 1.00 0.00 C ATOM 1826 O ASP B 30 -10.889 -1.439 6.816 1.00 0.00 O ATOM 1827 CB ASP B 30 -10.072 -0.437 9.972 1.00 0.00 C ATOM 1828 CG ASP B 30 -11.126 -1.458 10.418 1.00 0.00 C ATOM 1829 OD1 ASP B 30 -12.328 -1.202 10.482 1.00 0.00 O ATOM 1830 OD2 ASP B 30 -10.575 -2.674 10.732 1.00 0.00 O ATOM 0 H ASP B 30 -8.350 1.093 8.703 1.00 0.00 H new ATOM 0 HA ASP B 30 -9.152 -1.784 8.594 1.00 0.00 H new ATOM 0 HB2 ASP B 30 -9.289 -0.392 10.729 1.00 0.00 H new ATOM 0 HB3 ASP B 30 -10.536 0.549 9.934 1.00 0.00 H new ATOM 1836 N SER B 31 -10.642 0.794 7.081 1.00 0.00 N ATOM 1837 CA SER B 31 -11.392 1.187 5.857 1.00 0.00 C ATOM 1838 C SER B 31 -10.720 0.765 4.503 1.00 0.00 C ATOM 1839 O SER B 31 -11.445 0.587 3.526 1.00 0.00 O ATOM 1840 CB SER B 31 -11.677 2.706 5.886 1.00 0.00 C ATOM 1841 OG SER B 31 -12.445 3.066 7.030 1.00 0.00 O ATOM 0 H SER B 31 -10.335 1.587 7.644 1.00 0.00 H new ATOM 0 HA SER B 31 -12.326 0.625 5.884 1.00 0.00 H new ATOM 0 HB2 SER B 31 -10.735 3.255 5.890 1.00 0.00 H new ATOM 0 HB3 SER B 31 -12.211 2.995 4.981 1.00 0.00 H new ATOM 0 HG SER B 31 -12.744 3.995 6.944 1.00 0.00 H new ATOM 1847 N ILE B 32 -9.381 0.570 4.442 1.00 0.00 N ATOM 1848 CA ILE B 32 -8.619 0.094 3.257 1.00 0.00 C ATOM 1849 C ILE B 32 -8.848 -1.401 3.072 1.00 0.00 C ATOM 1850 O ILE B 32 -9.340 -1.796 2.032 1.00 0.00 O ATOM 1851 CB ILE B 32 -7.121 0.482 3.356 1.00 0.00 C ATOM 1852 CG1 ILE B 32 -7.028 1.990 3.625 1.00 0.00 C ATOM 1853 CG2 ILE B 32 -6.410 0.065 2.052 1.00 0.00 C ATOM 1854 CD1 ILE B 32 -5.699 2.620 3.923 1.00 0.00 C ATOM 0 H ILE B 32 -8.777 0.746 5.245 1.00 0.00 H new ATOM 0 HA ILE B 32 -8.987 0.592 2.360 1.00 0.00 H new ATOM 0 HB ILE B 32 -6.624 -0.035 4.177 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -7.440 2.500 2.755 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -7.686 2.210 4.465 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.355 0.333 2.111 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -6.503 -1.012 1.915 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -6.869 0.579 1.207 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -5.832 3.690 4.085 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -5.274 2.167 4.819 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -5.024 2.462 3.082 1.00 0.00 H new ATOM 1866 N THR B 33 -8.483 -2.231 4.036 1.00 0.00 N ATOM 1867 CA THR B 33 -8.780 -3.693 3.983 1.00 0.00 C ATOM 1868 C THR B 33 -10.279 -4.070 3.748 1.00 0.00 C ATOM 1869 O THR B 33 -10.531 -5.058 3.060 1.00 0.00 O ATOM 1870 CB THR B 33 -8.175 -4.352 5.251 1.00 0.00 C ATOM 1871 OG1 THR B 33 -8.533 -5.726 5.367 1.00 0.00 O ATOM 1872 CG2 THR B 33 -8.505 -3.617 6.569 1.00 0.00 C ATOM 0 H THR B 33 -7.980 -1.938 4.873 1.00 0.00 H new ATOM 0 HA THR B 33 -8.308 -4.093 3.086 1.00 0.00 H new ATOM 0 HB THR B 33 -7.098 -4.271 5.103 1.00 0.00 H new ATOM 0 HG1 THR B 33 -8.130 -6.102 6.177 1.00 0.00 H new ATOM 0 HG21 THR B 33 -8.044 -4.144 7.405 1.00 0.00 H new ATOM 0 HG22 THR B 33 -8.119 -2.599 6.524 1.00 0.00 H new ATOM 0 HG23 THR B 33 -9.586 -3.589 6.709 1.00 0.00 H new ATOM 1880 N GLU B 34 -11.241 -3.290 4.283 1.00 0.00 N ATOM 1881 CA GLU B 34 -12.674 -3.401 3.896 1.00 0.00 C ATOM 1882 C GLU B 34 -12.917 -2.854 2.452 1.00 0.00 C ATOM 1883 O GLU B 34 -13.764 -3.417 1.761 1.00 0.00 O ATOM 1884 CB GLU B 34 -13.604 -2.760 4.963 1.00 0.00 C ATOM 1885 CG GLU B 34 -13.988 -3.672 6.153 1.00 0.00 C ATOM 1886 CD GLU B 34 -12.855 -4.030 7.122 1.00 0.00 C ATOM 1887 OE1 GLU B 34 -12.072 -4.961 6.936 1.00 0.00 O ATOM 1888 OE2 GLU B 34 -12.824 -3.201 8.213 1.00 0.00 O ATOM 0 H GLU B 34 -11.057 -2.574 4.986 1.00 0.00 H new ATOM 0 HA GLU B 34 -12.938 -4.458 3.867 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -13.116 -1.868 5.355 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -14.519 -2.432 4.471 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -14.781 -3.182 6.718 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -14.405 -4.597 5.755 1.00 0.00 H new ATOM 1896 N ALA B 35 -12.188 -1.815 1.972 1.00 0.00 N ATOM 1897 CA ALA B 35 -12.188 -1.399 0.549 1.00 0.00 C ATOM 1898 C ALA B 35 -11.717 -2.536 -0.400 1.00 0.00 C ATOM 1899 O ALA B 35 -12.484 -2.994 -1.240 1.00 0.00 O ATOM 1900 CB ALA B 35 -11.283 -0.132 0.317 1.00 0.00 C ATOM 0 H ALA B 35 -11.584 -1.243 2.562 1.00 0.00 H new ATOM 0 HA ALA B 35 -13.223 -1.154 0.311 1.00 0.00 H new ATOM 0 HB1 ALA B 35 -11.307 0.144 -0.737 1.00 0.00 H new ATOM 0 HB2 ALA B 35 -11.657 0.697 0.918 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -10.258 -0.359 0.609 1.00 0.00 H new ATOM 1906 N LEU B 36 -10.496 -3.044 -0.194 1.00 0.00 N ATOM 1907 CA LEU B 36 -9.822 -4.062 -1.027 1.00 0.00 C ATOM 1908 C LEU B 36 -10.568 -5.399 -0.984 1.00 0.00 C ATOM 1909 O LEU B 36 -10.910 -5.919 -2.050 1.00 0.00 O ATOM 1910 CB LEU B 36 -8.338 -4.106 -0.598 1.00 0.00 C ATOM 1911 CG LEU B 36 -7.599 -2.711 -0.471 1.00 0.00 C ATOM 1912 CD1 LEU B 36 -6.100 -2.756 -0.685 1.00 0.00 C ATOM 1913 CD2 LEU B 36 -8.055 -1.577 -1.423 1.00 0.00 C ATOM 0 H LEU B 36 -9.920 -2.746 0.593 1.00 0.00 H new ATOM 0 HA LEU B 36 -9.843 -3.803 -2.086 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -8.276 -4.614 0.364 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -7.793 -4.717 -1.317 1.00 0.00 H new ATOM 0 HG LEU B 36 -7.881 -2.491 0.559 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -5.687 -1.753 -0.577 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -5.647 -3.416 0.054 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -5.886 -3.131 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -7.467 -0.680 -1.228 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -7.909 -1.889 -2.457 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -9.110 -1.363 -1.254 1.00 0.00 H new ATOM 1925 N ARG B 37 -10.921 -5.910 0.217 1.00 0.00 N ATOM 1926 CA ARG B 37 -11.752 -7.123 0.299 1.00 0.00 C ATOM 1927 C ARG B 37 -13.156 -6.993 -0.399 1.00 0.00 C ATOM 1928 O ARG B 37 -13.655 -8.006 -0.896 1.00 0.00 O ATOM 1929 CB ARG B 37 -11.830 -7.726 1.722 1.00 0.00 C ATOM 1930 CG ARG B 37 -13.023 -7.256 2.583 1.00 0.00 C ATOM 1931 CD ARG B 37 -12.849 -7.410 4.084 1.00 0.00 C ATOM 1932 NE ARG B 37 -12.721 -8.818 4.540 1.00 0.00 N ATOM 1933 CZ ARG B 37 -12.079 -9.208 5.658 1.00 0.00 C ATOM 1934 NH1 ARG B 37 -11.477 -8.373 6.503 1.00 0.00 N ATOM 1935 NH2 ARG B 37 -12.046 -10.499 5.934 1.00 0.00 N ATOM 0 H ARG B 37 -10.651 -5.512 1.116 1.00 0.00 H new ATOM 0 HA ARG B 37 -11.213 -7.858 -0.299 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -11.874 -8.812 1.635 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -10.907 -7.485 2.250 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -13.215 -6.206 2.363 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -13.909 -7.813 2.279 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -11.962 -6.857 4.394 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -13.702 -6.953 4.586 1.00 0.00 H new ATOM 0 HE ARG B 37 -13.151 -9.542 3.964 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -11.485 -7.369 6.321 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -11.008 -8.737 7.333 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -12.498 -11.166 5.309 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -11.568 -10.829 6.773 1.00 0.00 H new ATOM 1948 N LYS B 38 -13.781 -5.779 -0.403 1.00 0.00 N ATOM 1949 CA LYS B 38 -15.127 -5.579 -1.013 1.00 0.00 C ATOM 1950 C LYS B 38 -15.134 -5.046 -2.492 1.00 0.00 C ATOM 1951 O LYS B 38 -16.213 -4.730 -3.007 1.00 0.00 O ATOM 1952 CB LYS B 38 -15.987 -4.651 -0.106 1.00 0.00 C ATOM 1953 CG LYS B 38 -16.314 -5.188 1.307 1.00 0.00 C ATOM 1954 CD LYS B 38 -17.034 -4.148 2.192 1.00 0.00 C ATOM 1955 CE LYS B 38 -17.109 -4.522 3.685 1.00 0.00 C ATOM 1956 NZ LYS B 38 -18.027 -5.642 3.965 1.00 0.00 N ATOM 0 H LYS B 38 -13.378 -4.935 0.005 1.00 0.00 H new ATOM 0 HA LYS B 38 -15.558 -6.578 -1.077 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -15.467 -3.699 0.001 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -16.926 -4.445 -0.620 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -16.939 -6.076 1.217 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -15.390 -5.497 1.796 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -16.522 -3.191 2.096 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -18.047 -4.007 1.814 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -16.111 -4.784 4.036 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -17.429 -3.649 4.255 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -18.030 -5.842 4.986 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -18.988 -5.388 3.659 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -17.711 -6.487 3.448 1.00 0.00 H new ATOM 1969 N GLY B 39 -13.981 -4.952 -3.191 1.00 0.00 N ATOM 1970 CA GLY B 39 -13.907 -4.358 -4.553 1.00 0.00 C ATOM 1971 C GLY B 39 -14.013 -2.808 -4.646 1.00 0.00 C ATOM 1972 O GLY B 39 -14.674 -2.295 -5.552 1.00 0.00 O ATOM 0 H GLY B 39 -13.083 -5.280 -2.836 1.00 0.00 H new ATOM 0 HA2 GLY B 39 -12.964 -4.662 -5.006 1.00 0.00 H new ATOM 0 HA3 GLY B 39 -14.705 -4.791 -5.157 1.00 0.00 H new ATOM 1976 N ASP B 40 -13.342 -2.089 -3.728 1.00 0.00 N ATOM 1977 CA ASP B 40 -13.344 -0.600 -3.648 1.00 0.00 C ATOM 1978 C ASP B 40 -11.902 -0.047 -3.758 1.00 0.00 C ATOM 1979 O ASP B 40 -10.960 -0.562 -3.145 1.00 0.00 O ATOM 1980 CB ASP B 40 -14.079 -0.025 -2.413 1.00 0.00 C ATOM 1981 CG ASP B 40 -15.557 -0.416 -2.272 1.00 0.00 C ATOM 1982 OD1 ASP B 40 -16.472 0.171 -2.849 1.00 0.00 O ATOM 1983 OD2 ASP B 40 -15.731 -1.493 -1.441 1.00 0.00 O ATOM 0 H ASP B 40 -12.771 -2.525 -3.004 1.00 0.00 H new ATOM 0 HA ASP B 40 -13.926 -0.257 -4.503 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -13.550 -0.348 -1.516 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -14.012 1.062 -2.448 1.00 0.00 H new ATOM 1989 N LYS B 41 -11.764 1.037 -4.546 1.00 0.00 N ATOM 1990 CA LYS B 41 -10.471 1.731 -4.754 1.00 0.00 C ATOM 1991 C LYS B 41 -10.313 2.817 -3.658 1.00 0.00 C ATOM 1992 O LYS B 41 -11.223 3.613 -3.392 1.00 0.00 O ATOM 1993 CB LYS B 41 -10.343 2.404 -6.144 1.00 0.00 C ATOM 1994 CG LYS B 41 -10.736 1.553 -7.373 1.00 0.00 C ATOM 1995 CD LYS B 41 -10.360 2.230 -8.709 1.00 0.00 C ATOM 1996 CE LYS B 41 -10.815 1.477 -9.973 1.00 0.00 C ATOM 1997 NZ LYS B 41 -10.088 0.213 -10.201 1.00 0.00 N ATOM 0 H LYS B 41 -12.541 1.458 -5.056 1.00 0.00 H new ATOM 0 HA LYS B 41 -9.689 0.974 -4.697 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -10.959 3.303 -6.143 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -9.309 2.726 -6.271 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -10.244 0.582 -7.311 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -11.810 1.368 -7.354 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -10.792 3.231 -8.726 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -9.277 2.349 -8.746 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -11.881 1.264 -9.895 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -10.682 2.125 -10.840 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -10.444 -0.241 -11.066 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -9.072 0.411 -10.306 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -10.235 -0.423 -9.391 1.00 0.00 H new ATOM 2010 N VAL B 42 -9.117 2.866 -3.066 1.00 0.00 N ATOM 2011 CA VAL B 42 -8.773 3.757 -1.952 1.00 0.00 C ATOM 2012 C VAL B 42 -7.901 4.836 -2.605 1.00 0.00 C ATOM 2013 O VAL B 42 -6.815 4.611 -3.133 1.00 0.00 O ATOM 2014 CB VAL B 42 -8.073 2.830 -0.947 1.00 0.00 C ATOM 2015 CG1 VAL B 42 -7.447 3.507 0.219 1.00 0.00 C ATOM 2016 CG2 VAL B 42 -9.039 1.859 -0.318 1.00 0.00 C ATOM 0 H VAL B 42 -8.340 2.272 -3.355 1.00 0.00 H new ATOM 0 HA VAL B 42 -9.572 4.269 -1.416 1.00 0.00 H new ATOM 0 HB VAL B 42 -7.309 2.361 -1.566 1.00 0.00 H new ATOM 0 HG11 VAL B 42 -6.981 2.763 0.865 1.00 0.00 H new ATOM 0 HG12 VAL B 42 -6.690 4.208 -0.131 1.00 0.00 H new ATOM 0 HG13 VAL B 42 -8.210 4.047 0.779 1.00 0.00 H new ATOM 0 HG21 VAL B 42 -8.506 1.221 0.387 1.00 0.00 H new ATOM 0 HG22 VAL B 42 -9.818 2.410 0.209 1.00 0.00 H new ATOM 0 HG23 VAL B 42 -9.493 1.243 -1.094 1.00 0.00 H new ATOM 2026 N GLN B 43 -8.471 6.016 -2.529 1.00 0.00 N ATOM 2027 CA GLN B 43 -8.075 7.155 -3.412 1.00 0.00 C ATOM 2028 C GLN B 43 -6.952 8.174 -3.072 1.00 0.00 C ATOM 2029 O GLN B 43 -6.913 9.210 -3.747 1.00 0.00 O ATOM 2030 CB GLN B 43 -9.386 7.753 -4.018 1.00 0.00 C ATOM 2031 CG GLN B 43 -10.147 6.876 -5.046 1.00 0.00 C ATOM 2032 CD GLN B 43 -9.431 6.717 -6.401 1.00 0.00 C ATOM 2033 OE1 GLN B 43 -9.447 7.618 -7.238 1.00 0.00 O ATOM 2034 NE2 GLN B 43 -8.789 5.585 -6.648 1.00 0.00 N ATOM 0 H GLN B 43 -9.217 6.241 -1.870 1.00 0.00 H new ATOM 0 HA GLN B 43 -7.418 6.679 -4.140 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -10.066 7.981 -3.197 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -9.137 8.699 -4.498 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -10.306 5.888 -4.615 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -11.132 7.311 -5.218 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -8.779 4.841 -5.950 1.00 0.00 H new ATOM 0 HE22 GLN B 43 -8.304 5.457 -7.536 1.00 0.00 H new ATOM 2043 N LEU B 44 -5.977 7.904 -2.177 1.00 0.00 N ATOM 2044 CA LEU B 44 -5.025 8.935 -1.664 1.00 0.00 C ATOM 2045 C LEU B 44 -4.250 9.717 -2.758 1.00 0.00 C ATOM 2046 O LEU B 44 -3.490 9.134 -3.539 1.00 0.00 O ATOM 2047 CB LEU B 44 -3.981 8.394 -0.645 1.00 0.00 C ATOM 2048 CG LEU B 44 -4.482 7.840 0.712 1.00 0.00 C ATOM 2049 CD1 LEU B 44 -5.070 6.419 0.639 1.00 0.00 C ATOM 2050 CD2 LEU B 44 -3.324 7.848 1.733 1.00 0.00 C ATOM 0 H LEU B 44 -5.821 6.974 -1.787 1.00 0.00 H new ATOM 0 HA LEU B 44 -5.708 9.619 -1.160 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -3.419 7.601 -1.138 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -3.278 9.200 -0.433 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.295 8.498 1.020 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -5.396 6.109 1.632 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -5.922 6.412 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -4.309 5.729 0.275 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -3.678 7.458 2.687 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -2.510 7.223 1.365 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -2.965 8.868 1.868 1.00 0.00 H new ATOM 2062 N ILE B 45 -4.474 11.044 -2.784 1.00 0.00 N ATOM 2063 CA ILE B 45 -3.780 11.961 -3.721 1.00 0.00 C ATOM 2064 C ILE B 45 -2.372 12.290 -3.138 1.00 0.00 C ATOM 2065 O ILE B 45 -2.185 12.502 -1.933 1.00 0.00 O ATOM 2066 CB ILE B 45 -4.676 13.185 -4.102 1.00 0.00 C ATOM 2067 CG1 ILE B 45 -4.202 13.874 -5.415 1.00 0.00 C ATOM 2068 CG2 ILE B 45 -4.814 14.194 -2.943 1.00 0.00 C ATOM 2069 CD1 ILE B 45 -5.208 14.846 -6.055 1.00 0.00 C ATOM 0 H ILE B 45 -5.134 11.512 -2.164 1.00 0.00 H new ATOM 0 HA ILE B 45 -3.606 11.485 -4.686 1.00 0.00 H new ATOM 0 HB ILE B 45 -5.673 12.788 -4.293 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -3.281 14.418 -5.207 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -3.958 13.100 -6.143 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -5.445 15.025 -3.257 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -5.266 13.700 -2.083 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -3.828 14.570 -2.669 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -4.778 15.270 -6.963 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -6.124 14.310 -6.303 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -5.436 15.648 -5.353 1.00 0.00 H new ATOM 2081 N GLY B 46 -1.395 12.294 -4.042 1.00 0.00 N ATOM 2082 CA GLY B 46 0.027 12.471 -3.677 1.00 0.00 C ATOM 2083 C GLY B 46 0.763 11.311 -2.932 1.00 0.00 C ATOM 2084 O GLY B 46 1.905 11.517 -2.513 1.00 0.00 O ATOM 0 H GLY B 46 -1.554 12.176 -5.043 1.00 0.00 H new ATOM 0 HA2 GLY B 46 0.580 12.678 -4.593 1.00 0.00 H new ATOM 0 HA3 GLY B 46 0.099 13.362 -3.053 1.00 0.00 H new ATOM 2088 N PHE B 47 0.141 10.122 -2.763 1.00 0.00 N ATOM 2089 CA PHE B 47 0.708 9.001 -1.992 1.00 0.00 C ATOM 2090 C PHE B 47 0.174 7.587 -2.374 1.00 0.00 C ATOM 2091 O PHE B 47 1.026 6.724 -2.580 1.00 0.00 O ATOM 2092 CB PHE B 47 0.448 9.258 -0.475 1.00 0.00 C ATOM 2093 CG PHE B 47 1.410 8.459 0.433 1.00 0.00 C ATOM 2094 CD1 PHE B 47 1.172 7.104 0.703 1.00 0.00 C ATOM 2095 CD2 PHE B 47 2.622 9.030 0.832 1.00 0.00 C ATOM 2096 CE1 PHE B 47 2.169 6.315 1.270 1.00 0.00 C ATOM 2097 CE2 PHE B 47 3.597 8.245 1.441 1.00 0.00 C ATOM 2098 CZ PHE B 47 3.388 6.883 1.623 1.00 0.00 C ATOM 0 H PHE B 47 -0.775 9.916 -3.162 1.00 0.00 H new ATOM 0 HA PHE B 47 1.770 8.979 -2.235 1.00 0.00 H new ATOM 0 HB2 PHE B 47 0.556 10.322 -0.266 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -0.581 8.989 -0.235 1.00 0.00 H new ATOM 0 HD1 PHE B 47 0.211 6.670 0.470 1.00 0.00 H new ATOM 0 HD2 PHE B 47 2.802 10.082 0.667 1.00 0.00 H new ATOM 0 HE1 PHE B 47 1.996 5.262 1.436 1.00 0.00 H new ATOM 0 HE2 PHE B 47 4.520 8.696 1.774 1.00 0.00 H new ATOM 0 HZ PHE B 47 4.172 6.267 2.038 1.00 0.00 H new ATOM 2108 N GLY B 48 -1.151 7.299 -2.399 1.00 0.00 N ATOM 2109 CA GLY B 48 -1.635 5.906 -2.477 1.00 0.00 C ATOM 2110 C GLY B 48 -2.986 5.667 -3.142 1.00 0.00 C ATOM 2111 O GLY B 48 -3.984 5.533 -2.429 1.00 0.00 O ATOM 0 H GLY B 48 -1.889 8.002 -2.367 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -0.888 5.320 -3.012 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -1.684 5.510 -1.463 1.00 0.00 H new ATOM 2115 N ASN B 49 -3.023 5.544 -4.483 1.00 0.00 N ATOM 2116 CA ASN B 49 -4.275 5.157 -5.193 1.00 0.00 C ATOM 2117 C ASN B 49 -4.267 3.598 -5.284 1.00 0.00 C ATOM 2118 O ASN B 49 -3.789 3.012 -6.259 1.00 0.00 O ATOM 2119 CB ASN B 49 -4.493 5.879 -6.553 1.00 0.00 C ATOM 2120 CG ASN B 49 -4.659 7.411 -6.467 1.00 0.00 C ATOM 2121 OD1 ASN B 49 -3.684 8.153 -6.338 1.00 0.00 O ATOM 2122 ND2 ASN B 49 -5.880 7.914 -6.548 1.00 0.00 N ATOM 0 H ASN B 49 -2.221 5.702 -5.094 1.00 0.00 H new ATOM 0 HA ASN B 49 -5.145 5.495 -4.630 1.00 0.00 H new ATOM 0 HB2 ASN B 49 -3.646 5.658 -7.203 1.00 0.00 H new ATOM 0 HB3 ASN B 49 -5.379 5.460 -7.030 1.00 0.00 H new ATOM 0 HD21 ASN B 49 -6.020 8.923 -6.504 1.00 0.00 H new ATOM 0 HD22 ASN B 49 -6.682 7.292 -6.655 1.00 0.00 H new ATOM 2129 N PHE B 50 -4.764 2.936 -4.218 1.00 0.00 N ATOM 2130 CA PHE B 50 -4.847 1.457 -4.133 1.00 0.00 C ATOM 2131 C PHE B 50 -6.088 0.955 -4.901 1.00 0.00 C ATOM 2132 O PHE B 50 -7.117 1.636 -4.983 1.00 0.00 O ATOM 2133 CB PHE B 50 -5.031 0.885 -2.691 1.00 0.00 C ATOM 2134 CG PHE B 50 -4.120 1.245 -1.528 1.00 0.00 C ATOM 2135 CD1 PHE B 50 -4.244 2.497 -0.911 1.00 0.00 C ATOM 2136 CD2 PHE B 50 -3.434 0.217 -0.865 1.00 0.00 C ATOM 2137 CE1 PHE B 50 -3.637 2.734 0.317 1.00 0.00 C ATOM 2138 CE2 PHE B 50 -2.822 0.463 0.358 1.00 0.00 C ATOM 2139 CZ PHE B 50 -2.871 1.740 0.893 1.00 0.00 C ATOM 0 H PHE B 50 -5.121 3.410 -3.389 1.00 0.00 H new ATOM 0 HA PHE B 50 -3.893 1.121 -4.539 1.00 0.00 H new ATOM 0 HB2 PHE B 50 -6.043 1.148 -2.382 1.00 0.00 H new ATOM 0 HB3 PHE B 50 -4.998 -0.201 -2.784 1.00 0.00 H new ATOM 0 HD1 PHE B 50 -4.813 3.280 -1.391 1.00 0.00 H new ATOM 0 HD2 PHE B 50 -3.381 -0.768 -1.306 1.00 0.00 H new ATOM 0 HE1 PHE B 50 -3.763 3.684 0.815 1.00 0.00 H new ATOM 0 HE2 PHE B 50 -2.314 -0.331 0.885 1.00 0.00 H new ATOM 0 HZ PHE B 50 -2.297 1.963 1.780 1.00 0.00 H new ATOM 2149 N GLU B 51 -5.983 -0.279 -5.410 1.00 0.00 N ATOM 2150 CA GLU B 51 -7.123 -0.937 -6.084 1.00 0.00 C ATOM 2151 C GLU B 51 -6.891 -2.450 -6.213 1.00 0.00 C ATOM 2152 O GLU B 51 -5.774 -2.916 -6.445 1.00 0.00 O ATOM 2153 CB GLU B 51 -7.503 -0.276 -7.449 1.00 0.00 C ATOM 2154 CG GLU B 51 -6.462 -0.265 -8.599 1.00 0.00 C ATOM 2155 CD GLU B 51 -5.343 0.776 -8.446 1.00 0.00 C ATOM 2156 OE1 GLU B 51 -5.505 1.979 -8.652 1.00 0.00 O ATOM 2157 OE2 GLU B 51 -4.157 0.214 -8.046 1.00 0.00 O ATOM 0 H GLU B 51 -5.133 -0.841 -5.372 1.00 0.00 H new ATOM 0 HA GLU B 51 -7.992 -0.787 -5.443 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -8.396 -0.779 -7.820 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -7.780 0.759 -7.247 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -6.011 -1.255 -8.671 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -6.982 -0.083 -9.539 1.00 0.00 H new ATOM 2165 N VAL B 52 -7.974 -3.233 -6.103 1.00 0.00 N ATOM 2166 CA VAL B 52 -7.907 -4.695 -6.112 1.00 0.00 C ATOM 2167 C VAL B 52 -8.102 -5.236 -7.572 1.00 0.00 C ATOM 2168 O VAL B 52 -8.729 -4.588 -8.421 1.00 0.00 O ATOM 2169 CB VAL B 52 -8.912 -5.066 -4.960 1.00 0.00 C ATOM 2170 CG1 VAL B 52 -10.227 -5.629 -5.494 1.00 0.00 C ATOM 2171 CG2 VAL B 52 -8.213 -5.921 -3.894 1.00 0.00 C ATOM 0 H VAL B 52 -8.921 -2.866 -6.005 1.00 0.00 H new ATOM 0 HA VAL B 52 -6.960 -5.185 -5.887 1.00 0.00 H new ATOM 0 HB VAL B 52 -9.220 -4.154 -4.448 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -10.886 -5.869 -4.659 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -10.707 -4.888 -6.133 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -10.028 -6.532 -6.071 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -8.922 -6.169 -3.104 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -7.842 -6.839 -4.350 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -7.378 -5.363 -3.470 1.00 0.00 H new ATOM 2181 N ARG B 53 -7.577 -6.445 -7.834 1.00 0.00 N ATOM 2182 CA ARG B 53 -7.634 -7.076 -9.180 1.00 0.00 C ATOM 2183 C ARG B 53 -8.324 -8.460 -9.033 1.00 0.00 C ATOM 2184 O ARG B 53 -7.673 -9.467 -8.738 1.00 0.00 O ATOM 2185 CB ARG B 53 -6.192 -7.121 -9.760 1.00 0.00 C ATOM 2186 CG ARG B 53 -6.125 -7.522 -11.253 1.00 0.00 C ATOM 2187 CD ARG B 53 -4.700 -7.676 -11.818 1.00 0.00 C ATOM 2188 NE ARG B 53 -4.035 -8.916 -11.342 1.00 0.00 N ATOM 2189 CZ ARG B 53 -2.773 -9.273 -11.644 1.00 0.00 C ATOM 2190 NH1 ARG B 53 -1.957 -8.546 -12.406 1.00 0.00 N ATOM 2191 NH2 ARG B 53 -2.316 -10.412 -11.157 1.00 0.00 N ATOM 0 H ARG B 53 -7.104 -7.014 -7.132 1.00 0.00 H new ATOM 0 HA ARG B 53 -8.230 -6.510 -9.896 1.00 0.00 H new ATOM 0 HB2 ARG B 53 -5.731 -6.141 -9.637 1.00 0.00 H new ATOM 0 HB3 ARG B 53 -5.599 -7.827 -9.178 1.00 0.00 H new ATOM 0 HG2 ARG B 53 -6.657 -8.464 -11.386 1.00 0.00 H new ATOM 0 HG3 ARG B 53 -6.654 -6.772 -11.840 1.00 0.00 H new ATOM 0 HD2 ARG B 53 -4.743 -7.684 -12.907 1.00 0.00 H new ATOM 0 HD3 ARG B 53 -4.102 -6.812 -11.529 1.00 0.00 H new ATOM 0 HE ARG B 53 -4.574 -9.542 -10.743 1.00 0.00 H new ATOM 0 HH11 ARG B 53 -2.279 -7.661 -12.798 1.00 0.00 H new ATOM 0 HH12 ARG B 53 -1.010 -8.874 -12.597 1.00 0.00 H new ATOM 0 HH21 ARG B 53 -2.915 -10.993 -10.570 1.00 0.00 H new ATOM 0 HH22 ARG B 53 -1.364 -10.711 -11.367 1.00 0.00 H new ATOM 2522 N LYS B 75 -9.252 -11.474 -5.259 1.00 0.00 N ATOM 2523 CA LYS B 75 -8.867 -10.047 -5.408 1.00 0.00 C ATOM 2524 C LYS B 75 -7.393 -9.890 -4.954 1.00 0.00 C ATOM 2525 O LYS B 75 -6.996 -10.403 -3.902 1.00 0.00 O ATOM 2526 CB LYS B 75 -9.779 -9.033 -4.682 1.00 0.00 C ATOM 2527 CG LYS B 75 -11.311 -9.240 -4.760 1.00 0.00 C ATOM 2528 CD LYS B 75 -11.912 -10.106 -3.629 1.00 0.00 C ATOM 2529 CE LYS B 75 -13.401 -10.464 -3.812 1.00 0.00 C ATOM 2530 NZ LYS B 75 -14.307 -9.302 -3.722 1.00 0.00 N ATOM 0 HA LYS B 75 -8.991 -9.799 -6.462 1.00 0.00 H new ATOM 0 HB2 LYS B 75 -9.497 -9.026 -3.629 1.00 0.00 H new ATOM 0 HB3 LYS B 75 -9.556 -8.042 -5.078 1.00 0.00 H new ATOM 0 HG2 LYS B 75 -11.796 -8.264 -4.746 1.00 0.00 H new ATOM 0 HG3 LYS B 75 -11.552 -9.702 -5.718 1.00 0.00 H new ATOM 0 HD2 LYS B 75 -11.337 -11.029 -3.553 1.00 0.00 H new ATOM 0 HD3 LYS B 75 -11.793 -9.577 -2.683 1.00 0.00 H new ATOM 0 HE2 LYS B 75 -13.534 -10.942 -4.782 1.00 0.00 H new ATOM 0 HE3 LYS B 75 -13.685 -11.195 -3.055 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 -15.294 -9.628 -3.752 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 -14.136 -8.797 -2.829 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 -14.130 -8.661 -4.521 1.00 0.00 H new ATOM 2543 N VAL B 76 -6.593 -9.149 -5.732 1.00 0.00 N ATOM 2544 CA VAL B 76 -5.153 -9.033 -5.570 1.00 0.00 C ATOM 2545 C VAL B 76 -4.923 -7.511 -5.268 1.00 0.00 C ATOM 2546 O VAL B 76 -5.171 -6.670 -6.138 1.00 0.00 O ATOM 2547 CB VAL B 76 -4.668 -9.610 -6.933 1.00 0.00 C ATOM 2548 CG1 VAL B 76 -3.516 -8.866 -7.546 1.00 0.00 C ATOM 2549 CG2 VAL B 76 -4.418 -11.126 -6.888 1.00 0.00 C ATOM 0 H VAL B 76 -6.950 -8.600 -6.514 1.00 0.00 H new ATOM 0 HA VAL B 76 -4.620 -9.554 -4.775 1.00 0.00 H new ATOM 0 HB VAL B 76 -5.508 -9.446 -7.608 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -3.242 -9.334 -8.492 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -3.805 -7.830 -7.724 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -2.663 -8.893 -6.868 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -4.082 -11.469 -7.867 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -3.653 -11.347 -6.144 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -5.342 -11.639 -6.621 1.00 0.00 H new ATOM 2559 N PRO B 77 -4.432 -7.119 -4.074 1.00 0.00 N ATOM 2560 CA PRO B 77 -4.280 -5.704 -3.687 1.00 0.00 C ATOM 2561 C PRO B 77 -3.022 -5.038 -4.273 1.00 0.00 C ATOM 2562 O PRO B 77 -1.923 -5.600 -4.339 1.00 0.00 O ATOM 2563 CB PRO B 77 -4.279 -5.825 -2.151 1.00 0.00 C ATOM 2564 CG PRO B 77 -3.617 -7.179 -1.863 1.00 0.00 C ATOM 2565 CD PRO B 77 -4.058 -8.070 -3.030 1.00 0.00 C ATOM 0 HA PRO B 77 -5.058 -5.045 -4.072 1.00 0.00 H new ATOM 0 HB2 PRO B 77 -3.724 -5.008 -1.691 1.00 0.00 H new ATOM 0 HB3 PRO B 77 -5.292 -5.787 -1.751 1.00 0.00 H new ATOM 0 HG2 PRO B 77 -2.532 -7.090 -1.818 1.00 0.00 H new ATOM 0 HG3 PRO B 77 -3.943 -7.586 -0.906 1.00 0.00 H new ATOM 0 HD2 PRO B 77 -3.253 -8.727 -3.358 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -4.897 -8.708 -2.751 1.00 0.00 H new ATOM 2573 N ALA B 78 -3.273 -3.798 -4.684 1.00 0.00 N ATOM 2574 CA ALA B 78 -2.286 -2.929 -5.336 1.00 0.00 C ATOM 2575 C ALA B 78 -2.308 -1.524 -4.668 1.00 0.00 C ATOM 2576 O ALA B 78 -3.192 -1.177 -3.883 1.00 0.00 O ATOM 2577 CB ALA B 78 -2.666 -2.963 -6.826 1.00 0.00 C ATOM 0 H ALA B 78 -4.186 -3.356 -4.573 1.00 0.00 H new ATOM 0 HA ALA B 78 -1.250 -3.250 -5.230 1.00 0.00 H new ATOM 0 HB1 ALA B 78 -1.976 -2.337 -7.392 1.00 0.00 H new ATOM 0 HB2 ALA B 78 -2.609 -3.988 -7.193 1.00 0.00 H new ATOM 0 HB3 ALA B 78 -3.682 -2.588 -6.951 1.00 0.00 H new ATOM 2583 N PHE B 79 -1.276 -0.742 -4.982 1.00 0.00 N ATOM 2584 CA PHE B 79 -1.018 0.614 -4.411 1.00 0.00 C ATOM 2585 C PHE B 79 -0.212 1.342 -5.525 1.00 0.00 C ATOM 2586 O PHE B 79 0.886 0.941 -5.932 1.00 0.00 O ATOM 2587 CB PHE B 79 -0.227 0.510 -3.100 1.00 0.00 C ATOM 2588 CG PHE B 79 0.504 1.753 -2.547 1.00 0.00 C ATOM 2589 CD1 PHE B 79 1.819 2.019 -2.955 1.00 0.00 C ATOM 2590 CD2 PHE B 79 -0.107 2.600 -1.621 1.00 0.00 C ATOM 2591 CE1 PHE B 79 2.497 3.132 -2.471 1.00 0.00 C ATOM 2592 CE2 PHE B 79 0.582 3.701 -1.118 1.00 0.00 C ATOM 2593 CZ PHE B 79 1.874 3.976 -1.560 1.00 0.00 C ATOM 0 H PHE B 79 -0.567 -1.026 -5.658 1.00 0.00 H new ATOM 0 HA PHE B 79 -1.930 1.152 -4.152 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -0.918 0.169 -2.329 1.00 0.00 H new ATOM 0 HB3 PHE B 79 0.518 -0.275 -3.231 1.00 0.00 H new ATOM 0 HD1 PHE B 79 2.309 1.354 -3.651 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -1.117 2.401 -1.294 1.00 0.00 H new ATOM 0 HE1 PHE B 79 3.504 3.340 -2.802 1.00 0.00 H new ATOM 0 HE2 PHE B 79 0.114 4.342 -0.385 1.00 0.00 H new ATOM 0 HZ PHE B 79 2.394 4.849 -1.193 1.00 0.00 H new ATOM 2603 N LYS B 80 -0.790 2.449 -5.955 1.00 0.00 N ATOM 2604 CA LYS B 80 -0.114 3.448 -6.839 1.00 0.00 C ATOM 2605 C LYS B 80 0.652 4.420 -5.910 1.00 0.00 C ATOM 2606 O LYS B 80 0.047 4.866 -4.934 1.00 0.00 O ATOM 2607 CB LYS B 80 -1.123 4.234 -7.707 1.00 0.00 C ATOM 2608 CG LYS B 80 -1.790 3.447 -8.863 1.00 0.00 C ATOM 2609 CD LYS B 80 -0.864 2.977 -10.008 1.00 0.00 C ATOM 2610 CE LYS B 80 -0.196 4.115 -10.806 1.00 0.00 C ATOM 2611 NZ LYS B 80 0.636 3.591 -11.902 1.00 0.00 N ATOM 0 H LYS B 80 -1.747 2.704 -5.713 1.00 0.00 H new ATOM 0 HA LYS B 80 0.555 2.934 -7.530 1.00 0.00 H new ATOM 0 HB2 LYS B 80 -1.908 4.618 -7.056 1.00 0.00 H new ATOM 0 HB3 LYS B 80 -0.610 5.097 -8.131 1.00 0.00 H new ATOM 0 HG2 LYS B 80 -2.279 2.570 -8.440 1.00 0.00 H new ATOM 0 HG3 LYS B 80 -2.573 4.072 -9.293 1.00 0.00 H new ATOM 0 HD2 LYS B 80 -0.085 2.340 -9.589 1.00 0.00 H new ATOM 0 HD3 LYS B 80 -1.443 2.361 -10.696 1.00 0.00 H new ATOM 0 HE2 LYS B 80 -0.963 4.774 -11.213 1.00 0.00 H new ATOM 0 HE3 LYS B 80 0.419 4.717 -10.137 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 1.070 4.383 -12.418 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 1.383 2.982 -11.510 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 0.044 3.037 -12.553 1.00 0.00 H new ATOM 2624 N PRO B 81 1.935 4.815 -6.140 1.00 0.00 N ATOM 2625 CA PRO B 81 2.602 5.836 -5.284 1.00 0.00 C ATOM 2626 C PRO B 81 2.106 7.307 -5.533 1.00 0.00 C ATOM 2627 O PRO B 81 2.897 8.245 -5.451 1.00 0.00 O ATOM 2628 CB PRO B 81 4.074 5.570 -5.676 1.00 0.00 C ATOM 2629 CG PRO B 81 4.045 5.137 -7.140 1.00 0.00 C ATOM 2630 CD PRO B 81 2.783 4.291 -7.231 1.00 0.00 C ATOM 0 HA PRO B 81 2.398 5.751 -4.217 1.00 0.00 H new ATOM 0 HB2 PRO B 81 4.681 6.466 -5.546 1.00 0.00 H new ATOM 0 HB3 PRO B 81 4.512 4.794 -5.048 1.00 0.00 H new ATOM 0 HG2 PRO B 81 4.004 5.994 -7.812 1.00 0.00 H new ATOM 0 HG3 PRO B 81 4.933 4.564 -7.408 1.00 0.00 H new ATOM 0 HD2 PRO B 81 2.298 4.397 -8.202 1.00 0.00 H new ATOM 0 HD3 PRO B 81 3.000 3.231 -7.097 1.00 0.00 H new ATOM 2638 N GLY B 82 0.800 7.513 -5.834 1.00 0.00 N ATOM 2639 CA GLY B 82 0.220 8.804 -6.285 1.00 0.00 C ATOM 2640 C GLY B 82 1.001 9.661 -7.316 1.00 0.00 C ATOM 2641 O GLY B 82 0.702 10.854 -7.405 1.00 0.00 O ATOM 0 H GLY B 82 0.104 6.770 -5.769 1.00 0.00 H new ATOM 0 HA2 GLY B 82 -0.762 8.593 -6.709 1.00 0.00 H new ATOM 0 HA3 GLY B 82 0.060 9.420 -5.400 1.00 0.00 H new ATOM 2645 N LYS B 83 1.980 9.062 -8.054 1.00 0.00 N ATOM 2646 CA LYS B 83 2.999 9.793 -8.892 1.00 0.00 C ATOM 2647 C LYS B 83 4.096 10.567 -8.084 1.00 0.00 C ATOM 2648 O LYS B 83 5.297 10.499 -8.346 1.00 0.00 O ATOM 2649 CB LYS B 83 2.406 10.731 -9.985 1.00 0.00 C ATOM 2650 CG LYS B 83 2.493 10.205 -11.437 1.00 0.00 C ATOM 2651 CD LYS B 83 3.913 10.007 -12.021 1.00 0.00 C ATOM 2652 CE LYS B 83 4.761 11.290 -12.124 1.00 0.00 C ATOM 2653 NZ LYS B 83 6.085 11.017 -12.710 1.00 0.00 N ATOM 0 H LYS B 83 2.092 8.049 -8.090 1.00 0.00 H new ATOM 0 HA LYS B 83 3.485 8.958 -9.397 1.00 0.00 H new ATOM 0 HB2 LYS B 83 1.359 10.919 -9.748 1.00 0.00 H new ATOM 0 HB3 LYS B 83 2.921 11.690 -9.934 1.00 0.00 H new ATOM 0 HG2 LYS B 83 1.969 9.250 -11.485 1.00 0.00 H new ATOM 0 HG3 LYS B 83 1.953 10.898 -12.083 1.00 0.00 H new ATOM 0 HD2 LYS B 83 4.447 9.286 -11.402 1.00 0.00 H new ATOM 0 HD3 LYS B 83 3.823 9.569 -13.015 1.00 0.00 H new ATOM 0 HE2 LYS B 83 4.237 12.026 -12.734 1.00 0.00 H new ATOM 0 HE3 LYS B 83 4.884 11.727 -11.133 1.00 0.00 H new ATOM 0 HZ1 LYS B 83 6.629 11.901 -12.765 1.00 0.00 H new ATOM 0 HZ2 LYS B 83 6.594 10.333 -12.114 1.00 0.00 H new ATOM 0 HZ3 LYS B 83 5.967 10.623 -13.665 1.00 0.00 H new ATOM 2666 N ALA B 84 3.587 11.365 -7.156 1.00 0.00 N ATOM 2667 CA ALA B 84 4.298 12.203 -6.178 1.00 0.00 C ATOM 2668 C ALA B 84 5.276 11.465 -5.242 1.00 0.00 C ATOM 2669 O ALA B 84 6.409 11.936 -5.106 1.00 0.00 O ATOM 2670 CB ALA B 84 3.137 12.769 -5.372 1.00 0.00 C ATOM 0 H ALA B 84 2.576 11.456 -7.052 1.00 0.00 H new ATOM 0 HA ALA B 84 4.947 12.921 -6.679 1.00 0.00 H new ATOM 0 HB1 ALA B 84 3.522 13.425 -4.591 1.00 0.00 H new ATOM 0 HB2 ALA B 84 2.479 13.336 -6.031 1.00 0.00 H new ATOM 0 HB3 ALA B 84 2.578 11.952 -4.916 1.00 0.00 H new ATOM 2676 N LEU B 85 4.869 10.335 -4.600 1.00 0.00 N ATOM 2677 CA LEU B 85 5.825 9.453 -3.904 1.00 0.00 C ATOM 2678 C LEU B 85 6.888 8.898 -4.914 1.00 0.00 C ATOM 2679 O LEU B 85 8.060 8.871 -4.550 1.00 0.00 O ATOM 2680 CB LEU B 85 5.070 8.358 -3.102 1.00 0.00 C ATOM 2681 CG LEU B 85 6.013 7.381 -2.378 1.00 0.00 C ATOM 2682 CD1 LEU B 85 6.643 7.955 -1.104 1.00 0.00 C ATOM 2683 CD2 LEU B 85 5.346 6.024 -2.087 1.00 0.00 C ATOM 0 H LEU B 85 3.899 10.024 -4.555 1.00 0.00 H new ATOM 0 HA LEU B 85 6.388 10.022 -3.164 1.00 0.00 H new ATOM 0 HB2 LEU B 85 4.420 8.836 -2.369 1.00 0.00 H new ATOM 0 HB3 LEU B 85 4.427 7.797 -3.781 1.00 0.00 H new ATOM 0 HG LEU B 85 6.828 7.217 -3.083 1.00 0.00 H new ATOM 0 HD11 LEU B 85 7.294 7.207 -0.651 1.00 0.00 H new ATOM 0 HD12 LEU B 85 7.227 8.841 -1.354 1.00 0.00 H new ATOM 0 HD13 LEU B 85 5.857 8.226 -0.399 1.00 0.00 H new ATOM 0 HD21 LEU B 85 6.055 5.373 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU B 85 4.471 6.177 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU B 85 5.039 5.561 -3.025 1.00 0.00 H new ATOM 2695 N LYS B 86 6.512 8.487 -6.145 1.00 0.00 N ATOM 2696 CA LYS B 86 7.495 8.098 -7.204 1.00 0.00 C ATOM 2697 C LYS B 86 8.618 9.156 -7.497 1.00 0.00 C ATOM 2698 O LYS B 86 9.726 8.770 -7.871 1.00 0.00 O ATOM 2699 CB LYS B 86 6.765 7.628 -8.490 1.00 0.00 C ATOM 2700 CG LYS B 86 7.535 6.574 -9.313 1.00 0.00 C ATOM 2701 CD LYS B 86 6.757 6.114 -10.565 1.00 0.00 C ATOM 2702 CE LYS B 86 7.441 4.998 -11.380 1.00 0.00 C ATOM 2703 NZ LYS B 86 8.644 5.453 -12.103 1.00 0.00 N ATOM 0 H LYS B 86 5.538 8.413 -6.439 1.00 0.00 H new ATOM 0 HA LYS B 86 8.047 7.253 -6.792 1.00 0.00 H new ATOM 0 HB2 LYS B 86 5.795 7.216 -8.212 1.00 0.00 H new ATOM 0 HB3 LYS B 86 6.574 8.495 -9.122 1.00 0.00 H new ATOM 0 HG2 LYS B 86 8.496 6.988 -9.619 1.00 0.00 H new ATOM 0 HG3 LYS B 86 7.746 5.710 -8.683 1.00 0.00 H new ATOM 0 HD2 LYS B 86 5.772 5.766 -10.255 1.00 0.00 H new ATOM 0 HD3 LYS B 86 6.601 6.975 -11.215 1.00 0.00 H new ATOM 0 HE2 LYS B 86 7.716 4.184 -10.709 1.00 0.00 H new ATOM 0 HE3 LYS B 86 6.727 4.592 -12.097 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 9.055 4.656 -12.630 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 8.384 6.210 -12.767 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 9.342 5.815 -11.422 1.00 0.00 H new ATOM 2716 N ASP B 87 8.346 10.460 -7.289 1.00 0.00 N ATOM 2717 CA ASP B 87 9.354 11.542 -7.323 1.00 0.00 C ATOM 2718 C ASP B 87 10.192 11.645 -6.004 1.00 0.00 C ATOM 2719 O ASP B 87 11.414 11.794 -6.091 1.00 0.00 O ATOM 2720 CB ASP B 87 8.559 12.834 -7.653 1.00 0.00 C ATOM 2721 CG ASP B 87 9.153 13.632 -8.817 1.00 0.00 C ATOM 2722 OD1 ASP B 87 9.921 14.581 -8.665 1.00 0.00 O ATOM 2723 OD2 ASP B 87 8.734 13.161 -10.036 1.00 0.00 O ATOM 0 H ASP B 87 7.404 10.798 -7.089 1.00 0.00 H new ATOM 0 HA ASP B 87 10.116 11.349 -8.078 1.00 0.00 H new ATOM 0 HB2 ASP B 87 7.530 12.567 -7.893 1.00 0.00 H new ATOM 0 HB3 ASP B 87 8.526 13.468 -6.767 1.00 0.00 H new ATOM 2729 N ALA B 88 9.554 11.564 -4.808 1.00 0.00 N ATOM 2730 CA ALA B 88 10.253 11.465 -3.488 1.00 0.00 C ATOM 2731 C ALA B 88 11.349 10.364 -3.366 1.00 0.00 C ATOM 2732 O ALA B 88 12.412 10.574 -2.780 1.00 0.00 O ATOM 2733 CB ALA B 88 9.208 11.087 -2.398 1.00 0.00 C ATOM 0 H ALA B 88 8.537 11.565 -4.725 1.00 0.00 H new ATOM 0 HA ALA B 88 10.732 12.438 -3.374 1.00 0.00 H new ATOM 0 HB1 ALA B 88 9.703 11.011 -1.430 1.00 0.00 H new ATOM 0 HB2 ALA B 88 8.436 11.855 -2.352 1.00 0.00 H new ATOM 0 HB3 ALA B 88 8.752 10.129 -2.648 1.00 0.00 H new ATOM 2739 N VAL B 89 11.024 9.193 -3.926 1.00 0.00 N ATOM 2740 CA VAL B 89 11.754 7.932 -3.798 1.00 0.00 C ATOM 2741 C VAL B 89 12.828 7.636 -4.903 1.00 0.00 C ATOM 2742 O VAL B 89 13.649 6.735 -4.719 1.00 0.00 O ATOM 2743 CB VAL B 89 10.491 6.999 -3.726 1.00 0.00 C ATOM 2744 CG1 VAL B 89 9.985 6.525 -5.088 1.00 0.00 C ATOM 2745 CG2 VAL B 89 10.702 5.812 -2.838 1.00 0.00 C ATOM 0 H VAL B 89 10.196 9.098 -4.514 1.00 0.00 H new ATOM 0 HA VAL B 89 12.447 7.842 -2.962 1.00 0.00 H new ATOM 0 HB VAL B 89 9.721 7.638 -3.294 1.00 0.00 H new ATOM 0 HG11 VAL B 89 9.112 5.887 -4.950 1.00 0.00 H new ATOM 0 HG12 VAL B 89 9.711 7.388 -5.695 1.00 0.00 H new ATOM 0 HG13 VAL B 89 10.770 5.962 -5.592 1.00 0.00 H new ATOM 0 HG21 VAL B 89 9.799 5.202 -2.825 1.00 0.00 H new ATOM 0 HG22 VAL B 89 11.535 5.219 -3.215 1.00 0.00 H new ATOM 0 HG23 VAL B 89 10.926 6.150 -1.826 1.00 0.00 H new ATOM 2755 N LYS B 90 12.812 8.391 -6.025 1.00 0.00 N ATOM 2756 CA LYS B 90 13.727 8.237 -7.172 1.00 0.00 C ATOM 2757 C LYS B 90 15.168 8.638 -6.808 1.00 0.00 C ATOM 2758 O LYS B 90 16.015 7.777 -6.564 1.00 0.00 O ATOM 2759 CB LYS B 90 13.170 9.113 -8.334 1.00 0.00 C ATOM 2760 CG LYS B 90 12.462 8.305 -9.444 1.00 0.00 C ATOM 2761 CD LYS B 90 11.777 9.207 -10.490 1.00 0.00 C ATOM 2762 CE LYS B 90 10.977 8.403 -11.529 1.00 0.00 C ATOM 2763 NZ LYS B 90 10.298 9.287 -12.493 1.00 0.00 N ATOM 0 H LYS B 90 12.140 9.147 -6.158 1.00 0.00 H new ATOM 0 HA LYS B 90 13.774 7.191 -7.475 1.00 0.00 H new ATOM 0 HB2 LYS B 90 12.469 9.840 -7.924 1.00 0.00 H new ATOM 0 HB3 LYS B 90 13.991 9.677 -8.776 1.00 0.00 H new ATOM 0 HG2 LYS B 90 13.190 7.665 -9.943 1.00 0.00 H new ATOM 0 HG3 LYS B 90 11.718 7.649 -8.992 1.00 0.00 H new ATOM 0 HD2 LYS B 90 11.110 9.904 -9.983 1.00 0.00 H new ATOM 0 HD3 LYS B 90 12.533 9.804 -11.001 1.00 0.00 H new ATOM 0 HE2 LYS B 90 11.647 7.728 -12.062 1.00 0.00 H new ATOM 0 HE3 LYS B 90 10.239 7.783 -11.020 1.00 0.00 H new ATOM 0 HZ1 LYS B 90 9.768 8.711 -13.178 1.00 0.00 H new ATOM 0 HZ2 LYS B 90 9.641 9.914 -11.986 1.00 0.00 H new ATOM 0 HZ3 LYS B 90 11.005 9.861 -12.996 1.00 0.00 H new