USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 837 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 GLN : amide:sc= 0.207 K(o=1,f=-2.7) USER MOD Set 1.2: A 72 HIS : no HE2:sc= 0.827 K(o=1,f=-5.4!) USER MOD Set 2.1: A 10 MET CE :methyl -134:sc= -0.268 (180deg=-0.61) USER MOD Set 2.2: A 95 THR OG1 : rot 128:sc= 0.402 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot -103:sc= 0.0918 USER MOD Single : A 16 CYS SG : rot 38:sc= 0.0229 USER MOD Single : A 19 LYS NZ :NH3+ -152:sc= 0.642 (180deg=0.224) USER MOD Single : A 22 ASN : amide:sc=-0.00282 X(o=-0.0028,f=-0.22) USER MOD Single : A 24 TYR OH : rot 180:sc=-0.00661 USER MOD Single : A 27 HIS : no HD1:sc= -0.0839 K(o=-0.084,f=-5.2!) USER MOD Single : A 29 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-0.036) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 163:sc= 1.17 (180deg=0.926) USER MOD Single : A 38 TYR OH : rot 104:sc= -0.576 USER MOD Single : A 46 SER OG : rot -91:sc= 1.05 USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= -0.0372 (180deg=-0.235) USER MOD Single : A 63 ASN : amide:sc= -1.29 K(o=-1.3,f=-5.3!) USER MOD Single : A 66 ASN : amide:sc= 0.41 K(o=0.41,f=-1.6) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -176:sc= -1.39! USER MOD Single : A 73 GLN : amide:sc= -0.565 K(o=-0.57,f=0) USER MOD Single : A 74 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.062) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 GLN : amide:sc= -1.91! K(o=-1.9!,f=-0.51) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 1.18 K(o=1.2,f=-0.0054) USER MOD ----------------------------------------------------------------- ATOM 41 N PRO A 7 -7.274 -19.379 -0.099 1.00 0.00 N ATOM 42 CA PRO A 7 -6.140 -19.141 0.805 1.00 0.00 C ATOM 43 C PRO A 7 -5.293 -17.949 0.394 1.00 0.00 C ATOM 44 O PRO A 7 -4.776 -17.232 1.246 1.00 0.00 O ATOM 45 CB PRO A 7 -5.318 -20.432 0.712 1.00 0.00 C ATOM 46 CG PRO A 7 -5.761 -21.090 -0.549 1.00 0.00 C ATOM 47 CD PRO A 7 -7.201 -20.706 -0.731 1.00 0.00 C ATOM 0 HA PRO A 7 -6.483 -18.908 1.813 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -4.250 -20.217 0.689 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.496 -21.074 1.574 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.159 -20.758 -1.395 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -5.651 -22.172 -0.484 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.478 -20.667 -1.785 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.872 -21.419 -0.251 1.00 0.00 H new ATOM 55 N PHE A 8 -5.168 -17.742 -0.911 1.00 0.00 N ATOM 56 CA PHE A 8 -4.346 -16.669 -1.448 1.00 0.00 C ATOM 57 C PHE A 8 -4.797 -16.302 -2.838 1.00 0.00 C ATOM 58 O PHE A 8 -4.751 -17.113 -3.762 1.00 0.00 O ATOM 59 CB PHE A 8 -2.876 -17.052 -1.469 1.00 0.00 C ATOM 60 CG PHE A 8 -2.212 -16.868 -0.144 1.00 0.00 C ATOM 61 CD1 PHE A 8 -2.191 -15.617 0.440 1.00 0.00 C ATOM 62 CD2 PHE A 8 -1.645 -17.936 0.533 1.00 0.00 C ATOM 63 CE1 PHE A 8 -1.616 -15.428 1.672 1.00 0.00 C ATOM 64 CE2 PHE A 8 -1.070 -17.751 1.774 1.00 0.00 C ATOM 65 CZ PHE A 8 -1.056 -16.492 2.343 1.00 0.00 C ATOM 0 H PHE A 8 -5.631 -18.310 -1.621 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.465 -15.806 -0.792 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.781 -18.093 -1.777 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.359 -16.450 -2.216 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.632 -14.778 -0.078 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.653 -18.919 0.087 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.603 -14.443 2.116 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.632 -18.588 2.299 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.606 -16.343 3.313 1.00 0.00 H new ATOM 75 N THR A 9 -5.183 -15.062 -2.981 1.00 0.00 N ATOM 76 CA THR A 9 -5.861 -14.613 -4.165 1.00 0.00 C ATOM 77 C THR A 9 -5.735 -13.102 -4.289 1.00 0.00 C ATOM 78 O THR A 9 -6.015 -12.381 -3.343 1.00 0.00 O ATOM 79 CB THR A 9 -7.339 -15.044 -4.094 1.00 0.00 C ATOM 80 OG1 THR A 9 -8.034 -14.700 -5.300 1.00 0.00 O ATOM 81 CG2 THR A 9 -8.037 -14.433 -2.887 1.00 0.00 C ATOM 0 H THR A 9 -5.036 -14.336 -2.280 1.00 0.00 H new ATOM 0 HA THR A 9 -5.408 -15.062 -5.049 1.00 0.00 H new ATOM 0 HB THR A 9 -7.358 -16.128 -3.983 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.969 -14.985 -5.231 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.078 -14.757 -2.866 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.537 -14.758 -1.975 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.996 -13.346 -2.955 1.00 0.00 H new ATOM 89 N MET A 10 -5.257 -12.641 -5.438 1.00 0.00 N ATOM 90 CA MET A 10 -5.057 -11.209 -5.688 1.00 0.00 C ATOM 91 C MET A 10 -4.189 -10.581 -4.598 1.00 0.00 C ATOM 92 O MET A 10 -4.331 -9.402 -4.277 1.00 0.00 O ATOM 93 CB MET A 10 -6.405 -10.480 -5.771 1.00 0.00 C ATOM 94 CG MET A 10 -7.283 -10.939 -6.922 1.00 0.00 C ATOM 95 SD MET A 10 -8.827 -10.014 -7.028 1.00 0.00 S ATOM 96 CE MET A 10 -9.572 -10.393 -5.440 1.00 0.00 C ATOM 0 H MET A 10 -4.997 -13.240 -6.221 1.00 0.00 H new ATOM 0 HA MET A 10 -4.543 -11.105 -6.643 1.00 0.00 H new ATOM 0 HB2 MET A 10 -6.944 -10.626 -4.835 1.00 0.00 H new ATOM 0 HB3 MET A 10 -6.223 -9.410 -5.870 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.734 -10.832 -7.858 1.00 0.00 H new ATOM 0 HG3 MET A 10 -7.506 -11.999 -6.803 1.00 0.00 H new ATOM 0 HE1 MET A 10 -10.620 -10.656 -5.583 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.047 -11.231 -4.982 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.502 -9.522 -4.788 1.00 0.00 H new ATOM 106 N LEU A 11 -3.282 -11.382 -4.045 1.00 0.00 N ATOM 107 CA LEU A 11 -2.428 -10.950 -2.947 1.00 0.00 C ATOM 108 C LEU A 11 -1.605 -9.726 -3.342 1.00 0.00 C ATOM 109 O LEU A 11 -1.119 -9.623 -4.470 1.00 0.00 O ATOM 110 CB LEU A 11 -1.525 -12.099 -2.457 1.00 0.00 C ATOM 111 CG LEU A 11 -0.700 -12.840 -3.510 1.00 0.00 C ATOM 112 CD1 LEU A 11 0.377 -13.665 -2.828 1.00 0.00 C ATOM 113 CD2 LEU A 11 -1.573 -13.746 -4.370 1.00 0.00 C ATOM 0 H LEU A 11 -3.120 -12.343 -4.345 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.072 -10.662 -2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.838 -11.695 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.154 -12.828 -1.947 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.241 -12.097 -4.162 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.963 -14.192 -3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.030 -13.008 -2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.088 -14.389 -2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.953 -14.256 -5.107 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.066 -14.484 -3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.326 -13.147 -4.882 1.00 0.00 H new ATOM 125 N PRO A 12 -1.466 -8.777 -2.403 1.00 0.00 N ATOM 126 CA PRO A 12 -0.847 -7.468 -2.655 1.00 0.00 C ATOM 127 C PRO A 12 0.634 -7.550 -2.994 1.00 0.00 C ATOM 128 O PRO A 12 1.317 -8.521 -2.660 1.00 0.00 O ATOM 129 CB PRO A 12 -1.035 -6.720 -1.336 1.00 0.00 C ATOM 130 CG PRO A 12 -1.180 -7.790 -0.317 1.00 0.00 C ATOM 131 CD PRO A 12 -1.905 -8.906 -1.007 1.00 0.00 C ATOM 0 HA PRO A 12 -1.303 -6.984 -3.518 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.181 -6.079 -1.119 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.916 -6.079 -1.366 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.207 -8.120 0.046 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.740 -7.434 0.548 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.640 -9.877 -0.589 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.986 -8.803 -0.913 1.00 0.00 H new ATOM 139 N ARG A 13 1.112 -6.504 -3.647 1.00 0.00 N ATOM 140 CA ARG A 13 2.497 -6.411 -4.080 1.00 0.00 C ATOM 141 C ARG A 13 2.982 -4.972 -3.953 1.00 0.00 C ATOM 142 O ARG A 13 2.183 -4.066 -3.709 1.00 0.00 O ATOM 143 CB ARG A 13 2.629 -6.895 -5.524 1.00 0.00 C ATOM 144 CG ARG A 13 2.648 -8.408 -5.650 1.00 0.00 C ATOM 145 CD ARG A 13 2.379 -8.856 -7.073 1.00 0.00 C ATOM 146 NE ARG A 13 0.979 -8.672 -7.443 1.00 0.00 N ATOM 147 CZ ARG A 13 0.507 -8.841 -8.672 1.00 0.00 C ATOM 148 NH1 ARG A 13 1.333 -9.147 -9.664 1.00 0.00 N ATOM 149 NH2 ARG A 13 -0.790 -8.694 -8.903 1.00 0.00 N ATOM 0 H ARG A 13 0.547 -5.691 -3.893 1.00 0.00 H new ATOM 0 HA ARG A 13 3.114 -7.046 -3.445 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.800 -6.499 -6.110 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.545 -6.490 -5.954 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.617 -8.788 -5.326 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.899 -8.838 -4.985 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.013 -8.293 -7.758 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.648 -9.907 -7.181 1.00 0.00 H new ATOM 0 HE ARG A 13 0.323 -8.397 -6.712 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.331 -9.252 -9.482 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.970 -9.277 -10.608 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.420 -8.452 -8.138 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.158 -8.823 -9.846 1.00 0.00 H new ATOM 163 N LEU A 14 4.283 -4.767 -4.115 1.00 0.00 N ATOM 164 CA LEU A 14 4.864 -3.436 -3.994 1.00 0.00 C ATOM 165 C LEU A 14 4.746 -2.677 -5.302 1.00 0.00 C ATOM 166 O LEU A 14 5.228 -3.125 -6.346 1.00 0.00 O ATOM 167 CB LEU A 14 6.338 -3.515 -3.583 1.00 0.00 C ATOM 168 CG LEU A 14 6.603 -3.624 -2.081 1.00 0.00 C ATOM 169 CD1 LEU A 14 8.079 -3.877 -1.819 1.00 0.00 C ATOM 170 CD2 LEU A 14 6.152 -2.356 -1.373 1.00 0.00 C ATOM 0 H LEU A 14 4.955 -5.504 -4.330 1.00 0.00 H new ATOM 0 HA LEU A 14 4.309 -2.905 -3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.788 -4.377 -4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.849 -2.629 -3.960 1.00 0.00 H new ATOM 0 HG LEU A 14 6.032 -4.466 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.250 -3.952 -0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.380 -4.808 -2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.667 -3.053 -2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.346 -2.447 -0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.701 -1.502 -1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.084 -2.208 -1.536 1.00 0.00 H new ATOM 182 N CYS A 15 4.104 -1.528 -5.237 1.00 0.00 N ATOM 183 CA CYS A 15 3.961 -0.673 -6.394 1.00 0.00 C ATOM 184 C CYS A 15 5.075 0.359 -6.398 1.00 0.00 C ATOM 185 O CYS A 15 5.099 1.270 -5.570 1.00 0.00 O ATOM 186 CB CYS A 15 2.600 0.019 -6.365 1.00 0.00 C ATOM 187 SG CYS A 15 1.199 -1.123 -6.299 1.00 0.00 S ATOM 0 H CYS A 15 3.671 -1.165 -4.388 1.00 0.00 H new ATOM 0 HA CYS A 15 4.026 -1.274 -7.301 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.558 0.681 -5.500 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.503 0.646 -7.251 1.00 0.00 H new ATOM 0 HG CYS A 15 0.652 -1.207 -7.475 1.00 0.00 H new ATOM 193 N CYS A 16 6.015 0.198 -7.313 1.00 0.00 N ATOM 194 CA CYS A 16 7.142 1.101 -7.399 1.00 0.00 C ATOM 195 C CYS A 16 6.880 2.187 -8.433 1.00 0.00 C ATOM 196 O CYS A 16 6.801 1.918 -9.633 1.00 0.00 O ATOM 197 CB CYS A 16 8.412 0.322 -7.747 1.00 0.00 C ATOM 198 SG CYS A 16 8.256 -0.728 -9.210 1.00 0.00 S ATOM 0 H CYS A 16 6.017 -0.551 -8.006 1.00 0.00 H new ATOM 0 HA CYS A 16 7.280 1.581 -6.430 1.00 0.00 H new ATOM 0 HB2 CYS A 16 9.227 1.028 -7.905 1.00 0.00 H new ATOM 0 HB3 CYS A 16 8.689 -0.299 -6.895 1.00 0.00 H new ATOM 0 HG CYS A 16 7.535 -0.121 -10.105 1.00 0.00 H new ATOM 204 N LEU A 17 6.728 3.407 -7.956 1.00 0.00 N ATOM 205 CA LEU A 17 6.550 4.545 -8.834 1.00 0.00 C ATOM 206 C LEU A 17 7.731 5.489 -8.687 1.00 0.00 C ATOM 207 O LEU A 17 8.309 5.613 -7.605 1.00 0.00 O ATOM 208 CB LEU A 17 5.224 5.278 -8.568 1.00 0.00 C ATOM 209 CG LEU A 17 4.905 5.624 -7.113 1.00 0.00 C ATOM 210 CD1 LEU A 17 3.940 6.788 -7.063 1.00 0.00 C ATOM 211 CD2 LEU A 17 4.294 4.428 -6.397 1.00 0.00 C ATOM 0 H LEU A 17 6.724 3.635 -6.962 1.00 0.00 H new ATOM 0 HA LEU A 17 6.505 4.179 -9.860 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.226 6.203 -9.144 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.412 4.663 -8.956 1.00 0.00 H new ATOM 0 HG LEU A 17 5.834 5.895 -6.612 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.716 7.031 -6.024 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.389 7.654 -7.549 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.019 6.519 -7.580 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.075 4.696 -5.363 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.372 4.135 -6.899 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.997 3.595 -6.415 1.00 0.00 H new ATOM 223 N GLU A 18 8.076 6.155 -9.771 1.00 0.00 N ATOM 224 CA GLU A 18 9.300 6.936 -9.830 1.00 0.00 C ATOM 225 C GLU A 18 8.979 8.413 -9.926 1.00 0.00 C ATOM 226 O GLU A 18 8.110 8.822 -10.689 1.00 0.00 O ATOM 227 CB GLU A 18 10.156 6.490 -11.017 1.00 0.00 C ATOM 228 CG GLU A 18 10.506 5.010 -10.978 1.00 0.00 C ATOM 229 CD GLU A 18 11.480 4.606 -12.060 1.00 0.00 C ATOM 230 OE1 GLU A 18 11.034 4.273 -13.176 1.00 0.00 O ATOM 231 OE2 GLU A 18 12.702 4.625 -11.801 1.00 0.00 O ATOM 0 H GLU A 18 7.524 6.172 -10.628 1.00 0.00 H new ATOM 0 HA GLU A 18 9.867 6.768 -8.914 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.624 6.707 -11.943 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.076 7.074 -11.034 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.932 4.768 -10.004 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.593 4.423 -11.081 1.00 0.00 H new ATOM 238 N LYS A 19 9.688 9.202 -9.146 1.00 0.00 N ATOM 239 CA LYS A 19 9.406 10.616 -9.022 1.00 0.00 C ATOM 240 C LYS A 19 9.784 11.367 -10.288 1.00 0.00 C ATOM 241 O LYS A 19 10.941 11.357 -10.705 1.00 0.00 O ATOM 242 CB LYS A 19 10.168 11.201 -7.836 1.00 0.00 C ATOM 243 CG LYS A 19 9.642 12.547 -7.375 1.00 0.00 C ATOM 244 CD LYS A 19 10.523 13.140 -6.293 1.00 0.00 C ATOM 245 CE LYS A 19 11.862 13.567 -6.860 1.00 0.00 C ATOM 246 NZ LYS A 19 12.773 14.090 -5.811 1.00 0.00 N ATOM 0 H LYS A 19 10.475 8.882 -8.581 1.00 0.00 H new ATOM 0 HA LYS A 19 8.334 10.729 -8.861 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.121 10.499 -7.004 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.219 11.305 -8.107 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.593 13.231 -8.223 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.626 12.433 -6.998 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.024 13.998 -5.842 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.676 12.407 -5.501 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.332 12.718 -7.357 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.706 14.334 -7.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.431 14.776 -6.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.215 14.557 -5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.312 13.304 -5.396 1.00 0.00 H new ATOM 260 N GLY A 20 8.800 12.014 -10.889 1.00 0.00 N ATOM 261 CA GLY A 20 9.057 12.861 -12.028 1.00 0.00 C ATOM 262 C GLY A 20 9.366 14.277 -11.591 1.00 0.00 C ATOM 263 O GLY A 20 9.543 14.526 -10.396 1.00 0.00 O ATOM 0 H GLY A 20 7.822 11.966 -10.605 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.894 12.462 -12.601 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.190 12.861 -12.689 1.00 0.00 H new ATOM 267 N PRO A 21 9.430 15.232 -12.528 1.00 0.00 N ATOM 268 CA PRO A 21 9.723 16.632 -12.211 1.00 0.00 C ATOM 269 C PRO A 21 8.705 17.246 -11.250 1.00 0.00 C ATOM 270 O PRO A 21 9.038 18.126 -10.457 1.00 0.00 O ATOM 271 CB PRO A 21 9.673 17.341 -13.571 1.00 0.00 C ATOM 272 CG PRO A 21 8.970 16.401 -14.490 1.00 0.00 C ATOM 273 CD PRO A 21 9.247 15.019 -13.972 1.00 0.00 C ATOM 0 HA PRO A 21 10.683 16.730 -11.704 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.141 18.289 -13.499 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.676 17.565 -13.933 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.899 16.602 -14.507 1.00 0.00 H new ATOM 0 HG3 PRO A 21 9.332 16.513 -15.512 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.420 14.339 -14.177 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.136 14.587 -14.431 1.00 0.00 H new ATOM 281 N ASN A 22 7.467 16.769 -11.302 1.00 0.00 N ATOM 282 CA ASN A 22 6.412 17.317 -10.453 1.00 0.00 C ATOM 283 C ASN A 22 6.181 16.440 -9.226 1.00 0.00 C ATOM 284 O ASN A 22 5.343 16.753 -8.381 1.00 0.00 O ATOM 285 CB ASN A 22 5.093 17.478 -11.226 1.00 0.00 C ATOM 286 CG ASN A 22 4.422 16.154 -11.542 1.00 0.00 C ATOM 287 OD1 ASN A 22 3.654 15.625 -10.738 1.00 0.00 O ATOM 288 ND2 ASN A 22 4.668 15.631 -12.731 1.00 0.00 N ATOM 0 H ASN A 22 7.169 16.011 -11.916 1.00 0.00 H new ATOM 0 HA ASN A 22 6.747 18.302 -10.127 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.410 18.094 -10.642 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.287 18.011 -12.157 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.215 14.760 -13.009 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.311 16.098 -13.371 1.00 0.00 H new ATOM 295 N GLY A 23 6.928 15.352 -9.119 1.00 0.00 N ATOM 296 CA GLY A 23 6.716 14.421 -8.027 1.00 0.00 C ATOM 297 C GLY A 23 6.129 13.106 -8.503 1.00 0.00 C ATOM 298 O GLY A 23 6.492 12.614 -9.571 1.00 0.00 O ATOM 0 H GLY A 23 7.675 15.096 -9.765 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.664 14.233 -7.523 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.048 14.871 -7.292 1.00 0.00 H new ATOM 302 N TYR A 24 5.222 12.534 -7.722 1.00 0.00 N ATOM 303 CA TYR A 24 4.642 11.242 -8.063 1.00 0.00 C ATOM 304 C TYR A 24 3.214 11.392 -8.567 1.00 0.00 C ATOM 305 O TYR A 24 2.783 10.664 -9.456 1.00 0.00 O ATOM 306 CB TYR A 24 4.671 10.294 -6.868 1.00 0.00 C ATOM 307 CG TYR A 24 6.052 10.040 -6.314 1.00 0.00 C ATOM 308 CD1 TYR A 24 6.839 9.013 -6.814 1.00 0.00 C ATOM 309 CD2 TYR A 24 6.570 10.825 -5.292 1.00 0.00 C ATOM 310 CE1 TYR A 24 8.100 8.771 -6.312 1.00 0.00 C ATOM 311 CE2 TYR A 24 7.831 10.590 -4.783 1.00 0.00 C ATOM 312 CZ TYR A 24 8.592 9.563 -5.299 1.00 0.00 C ATOM 313 OH TYR A 24 9.851 9.329 -4.801 1.00 0.00 O ATOM 0 H TYR A 24 4.874 12.941 -6.854 1.00 0.00 H new ATOM 0 HA TYR A 24 5.249 10.818 -8.863 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.044 10.705 -6.077 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.229 9.342 -7.163 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.457 8.392 -7.611 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.976 11.632 -4.889 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.698 7.965 -6.711 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.219 11.207 -3.986 1.00 0.00 H new ATOM 0 HH TYR A 24 10.048 9.976 -4.092 1.00 0.00 H new ATOM 323 N GLY A 25 2.486 12.336 -7.980 1.00 0.00 N ATOM 324 CA GLY A 25 1.165 12.673 -8.479 1.00 0.00 C ATOM 325 C GLY A 25 0.039 11.917 -7.799 1.00 0.00 C ATOM 326 O GLY A 25 -0.913 11.499 -8.454 1.00 0.00 O ATOM 0 H GLY A 25 2.787 12.874 -7.167 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.001 13.743 -8.350 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.130 12.472 -9.550 1.00 0.00 H new ATOM 330 N PHE A 26 0.123 11.743 -6.490 1.00 0.00 N ATOM 331 CA PHE A 26 -0.944 11.072 -5.758 1.00 0.00 C ATOM 332 C PHE A 26 -1.267 11.830 -4.476 1.00 0.00 C ATOM 333 O PHE A 26 -0.421 12.536 -3.926 1.00 0.00 O ATOM 334 CB PHE A 26 -0.568 9.611 -5.445 1.00 0.00 C ATOM 335 CG PHE A 26 0.542 9.456 -4.440 1.00 0.00 C ATOM 336 CD1 PHE A 26 1.868 9.587 -4.822 1.00 0.00 C ATOM 337 CD2 PHE A 26 0.254 9.169 -3.113 1.00 0.00 C ATOM 338 CE1 PHE A 26 2.886 9.437 -3.900 1.00 0.00 C ATOM 339 CE2 PHE A 26 1.267 9.020 -2.188 1.00 0.00 C ATOM 340 CZ PHE A 26 2.585 9.154 -2.582 1.00 0.00 C ATOM 0 H PHE A 26 0.908 12.052 -5.916 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.833 11.061 -6.389 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.452 9.093 -5.074 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.274 9.118 -6.372 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.108 9.809 -5.851 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.774 9.061 -2.801 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.916 9.541 -4.209 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.030 8.799 -1.158 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.379 9.037 -1.860 1.00 0.00 H new ATOM 350 N HIS A 27 -2.503 11.695 -4.019 1.00 0.00 N ATOM 351 CA HIS A 27 -2.968 12.373 -2.816 1.00 0.00 C ATOM 352 C HIS A 27 -3.518 11.346 -1.835 1.00 0.00 C ATOM 353 O HIS A 27 -4.115 10.355 -2.252 1.00 0.00 O ATOM 354 CB HIS A 27 -4.062 13.397 -3.161 1.00 0.00 C ATOM 355 CG HIS A 27 -3.637 14.450 -4.146 1.00 0.00 C ATOM 356 ND1 HIS A 27 -3.420 15.767 -3.806 1.00 0.00 N ATOM 357 CD2 HIS A 27 -3.415 14.373 -5.481 1.00 0.00 C ATOM 358 CE1 HIS A 27 -3.079 16.450 -4.885 1.00 0.00 C ATOM 359 NE2 HIS A 27 -3.070 15.626 -5.917 1.00 0.00 N ATOM 0 H HIS A 27 -3.211 11.115 -4.469 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.128 12.901 -2.364 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.925 12.867 -3.564 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.388 13.886 -2.243 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.495 13.485 -6.091 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -2.847 17.504 -4.917 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -2.844 15.880 -6.879 1.00 0.00 H new ATOM 368 N LEU A 28 -3.315 11.577 -0.544 1.00 0.00 N ATOM 369 CA LEU A 28 -3.774 10.653 0.489 1.00 0.00 C ATOM 370 C LEU A 28 -4.729 11.336 1.450 1.00 0.00 C ATOM 371 O LEU A 28 -4.686 12.551 1.627 1.00 0.00 O ATOM 372 CB LEU A 28 -2.588 10.087 1.266 1.00 0.00 C ATOM 373 CG LEU A 28 -1.738 9.079 0.498 1.00 0.00 C ATOM 374 CD1 LEU A 28 -0.366 8.948 1.136 1.00 0.00 C ATOM 375 CD2 LEU A 28 -2.419 7.722 0.450 1.00 0.00 C ATOM 0 H LEU A 28 -2.833 12.401 -0.185 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.302 9.839 -0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.950 10.913 1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.961 9.610 2.172 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.621 9.444 -0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.228 8.225 0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.135 9.916 1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.475 8.608 2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.794 7.021 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.568 7.354 1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.385 7.817 -0.047 1.00 0.00 H new ATOM 387 N HIS A 29 -5.585 10.542 2.070 1.00 0.00 N ATOM 388 CA HIS A 29 -6.558 11.053 3.026 1.00 0.00 C ATOM 389 C HIS A 29 -6.760 10.057 4.156 1.00 0.00 C ATOM 390 O HIS A 29 -6.582 8.850 3.969 1.00 0.00 O ATOM 391 CB HIS A 29 -7.902 11.351 2.340 1.00 0.00 C ATOM 392 CG HIS A 29 -8.611 10.138 1.813 1.00 0.00 C ATOM 393 ND1 HIS A 29 -9.920 9.841 2.120 1.00 0.00 N ATOM 394 CD2 HIS A 29 -8.192 9.164 0.975 1.00 0.00 C ATOM 395 CE1 HIS A 29 -10.276 8.734 1.499 1.00 0.00 C ATOM 396 NE2 HIS A 29 -9.246 8.304 0.798 1.00 0.00 N ATOM 0 H HIS A 29 -5.627 9.533 1.928 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.170 11.985 3.437 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.554 11.858 3.051 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.730 12.043 1.516 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.212 9.079 0.529 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -11.245 8.261 1.555 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.234 7.466 0.217 1.00 0.00 H new ATOM 405 N GLY A 30 -7.115 10.568 5.324 1.00 0.00 N ATOM 406 CA GLY A 30 -7.393 9.719 6.458 1.00 0.00 C ATOM 407 C GLY A 30 -8.879 9.615 6.714 1.00 0.00 C ATOM 408 O GLY A 30 -9.610 10.597 6.558 1.00 0.00 O ATOM 0 H GLY A 30 -7.216 11.567 5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.982 8.725 6.281 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.896 10.116 7.343 1.00 0.00 H new ATOM 412 N GLU A 31 -9.331 8.434 7.084 1.00 0.00 N ATOM 413 CA GLU A 31 -10.747 8.208 7.332 1.00 0.00 C ATOM 414 C GLU A 31 -11.026 8.051 8.819 1.00 0.00 C ATOM 415 O GLU A 31 -10.163 7.607 9.580 1.00 0.00 O ATOM 416 CB GLU A 31 -11.219 6.951 6.609 1.00 0.00 C ATOM 417 CG GLU A 31 -11.079 7.008 5.103 1.00 0.00 C ATOM 418 CD GLU A 31 -11.822 5.877 4.432 1.00 0.00 C ATOM 419 OE1 GLU A 31 -11.325 4.733 4.459 1.00 0.00 O ATOM 420 OE2 GLU A 31 -12.924 6.125 3.906 1.00 0.00 O ATOM 0 H GLU A 31 -8.741 7.613 7.221 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.287 9.077 6.957 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.653 6.097 6.983 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.265 6.774 6.858 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.460 7.962 4.738 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.024 6.962 4.833 1.00 0.00 H new ATOM 427 N LYS A 32 -12.236 8.407 9.222 1.00 0.00 N ATOM 428 CA LYS A 32 -12.674 8.205 10.590 1.00 0.00 C ATOM 429 C LYS A 32 -13.043 6.740 10.780 1.00 0.00 C ATOM 430 O LYS A 32 -13.595 6.110 9.877 1.00 0.00 O ATOM 431 CB LYS A 32 -13.865 9.114 10.914 1.00 0.00 C ATOM 432 CG LYS A 32 -14.304 9.060 12.372 1.00 0.00 C ATOM 433 CD LYS A 32 -13.167 9.426 13.314 1.00 0.00 C ATOM 434 CE LYS A 32 -12.750 10.881 13.161 1.00 0.00 C ATOM 435 NZ LYS A 32 -11.575 11.209 14.009 1.00 0.00 N ATOM 0 H LYS A 32 -12.933 8.839 8.616 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.866 8.464 11.274 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -13.604 10.142 10.661 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -14.707 8.833 10.281 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -15.139 9.743 12.526 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -14.664 8.058 12.607 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.475 9.243 14.343 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.311 8.780 13.118 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.513 11.083 12.117 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.585 11.529 13.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.320 12.209 13.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.810 11.040 15.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.771 10.608 13.736 1.00 0.00 H new ATOM 449 N GLY A 33 -12.717 6.193 11.940 1.00 0.00 N ATOM 450 CA GLY A 33 -12.905 4.774 12.161 1.00 0.00 C ATOM 451 C GLY A 33 -11.658 4.007 11.787 1.00 0.00 C ATOM 452 O GLY A 33 -11.225 3.104 12.500 1.00 0.00 O ATOM 0 H GLY A 33 -12.326 6.704 12.731 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.149 4.593 13.208 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.749 4.417 11.570 1.00 0.00 H new ATOM 456 N LYS A 34 -11.085 4.379 10.655 1.00 0.00 N ATOM 457 CA LYS A 34 -9.807 3.846 10.224 1.00 0.00 C ATOM 458 C LYS A 34 -8.688 4.536 10.999 1.00 0.00 C ATOM 459 O LYS A 34 -8.943 5.465 11.771 1.00 0.00 O ATOM 460 CB LYS A 34 -9.612 4.085 8.727 1.00 0.00 C ATOM 461 CG LYS A 34 -10.877 3.919 7.892 1.00 0.00 C ATOM 462 CD LYS A 34 -11.470 2.525 8.003 1.00 0.00 C ATOM 463 CE LYS A 34 -12.658 2.354 7.063 1.00 0.00 C ATOM 464 NZ LYS A 34 -12.273 2.492 5.629 1.00 0.00 N ATOM 0 H LYS A 34 -11.493 5.057 10.011 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.785 2.773 10.416 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.224 5.093 8.580 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.854 3.395 8.357 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.618 4.652 8.212 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.649 4.131 6.847 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.707 1.783 7.768 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.786 2.342 9.030 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.106 1.373 7.223 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.419 3.096 7.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.022 2.093 5.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.144 3.498 5.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.383 1.981 5.458 1.00 0.00 H new ATOM 478 N LEU A 35 -7.456 4.099 10.796 1.00 0.00 N ATOM 479 CA LEU A 35 -6.322 4.707 11.480 1.00 0.00 C ATOM 480 C LEU A 35 -5.097 4.744 10.572 1.00 0.00 C ATOM 481 O LEU A 35 -3.963 4.724 11.041 1.00 0.00 O ATOM 482 CB LEU A 35 -6.000 3.970 12.795 1.00 0.00 C ATOM 483 CG LEU A 35 -5.555 2.502 12.677 1.00 0.00 C ATOM 484 CD1 LEU A 35 -4.967 2.035 13.999 1.00 0.00 C ATOM 485 CD2 LEU A 35 -6.717 1.599 12.284 1.00 0.00 C ATOM 0 H LEU A 35 -7.214 3.332 10.169 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.597 5.732 11.729 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.214 4.523 13.310 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.885 4.007 13.430 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.799 2.440 11.895 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.653 0.995 13.910 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.106 2.653 14.253 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.720 2.122 14.783 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.368 0.569 12.209 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.500 1.663 13.040 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.116 1.918 11.321 1.00 0.00 H new ATOM 497 N GLY A 36 -5.341 4.823 9.270 1.00 0.00 N ATOM 498 CA GLY A 36 -4.258 4.855 8.305 1.00 0.00 C ATOM 499 C GLY A 36 -4.547 5.805 7.160 1.00 0.00 C ATOM 500 O GLY A 36 -5.441 6.651 7.261 1.00 0.00 O ATOM 0 H GLY A 36 -6.275 4.866 8.863 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.337 5.157 8.803 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.093 3.852 7.911 1.00 0.00 H new ATOM 504 N GLN A 37 -3.800 5.671 6.073 1.00 0.00 N ATOM 505 CA GLN A 37 -3.989 6.518 4.904 1.00 0.00 C ATOM 506 C GLN A 37 -4.522 5.712 3.731 1.00 0.00 C ATOM 507 O GLN A 37 -4.238 4.522 3.602 1.00 0.00 O ATOM 508 CB GLN A 37 -2.676 7.196 4.510 1.00 0.00 C ATOM 509 CG GLN A 37 -2.197 8.241 5.505 1.00 0.00 C ATOM 510 CD GLN A 37 -3.169 9.399 5.648 1.00 0.00 C ATOM 511 OE1 GLN A 37 -3.093 10.384 4.911 1.00 0.00 O ATOM 512 NE2 GLN A 37 -4.079 9.301 6.606 1.00 0.00 N ATOM 0 H GLN A 37 -3.055 4.981 5.977 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.720 7.284 5.164 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.904 6.434 4.399 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.801 7.667 3.535 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.051 7.771 6.478 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.227 8.623 5.187 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.111 8.470 7.196 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.748 10.057 6.753 1.00 0.00 H new ATOM 521 N TYR A 38 -5.321 6.363 2.898 1.00 0.00 N ATOM 522 CA TYR A 38 -5.851 5.745 1.689 1.00 0.00 C ATOM 523 C TYR A 38 -5.704 6.709 0.522 1.00 0.00 C ATOM 524 O TYR A 38 -5.541 7.917 0.728 1.00 0.00 O ATOM 525 CB TYR A 38 -7.324 5.383 1.892 1.00 0.00 C ATOM 526 CG TYR A 38 -7.570 4.534 3.115 1.00 0.00 C ATOM 527 CD1 TYR A 38 -7.335 3.167 3.088 1.00 0.00 C ATOM 528 CD2 TYR A 38 -8.026 5.100 4.299 1.00 0.00 C ATOM 529 CE1 TYR A 38 -7.547 2.384 4.207 1.00 0.00 C ATOM 530 CE2 TYR A 38 -8.243 4.326 5.422 1.00 0.00 C ATOM 531 CZ TYR A 38 -8.001 2.966 5.372 1.00 0.00 C ATOM 532 OH TYR A 38 -8.213 2.188 6.491 1.00 0.00 O ATOM 0 H TYR A 38 -5.619 7.328 3.039 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.294 4.834 1.473 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.908 6.300 1.972 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.684 4.851 1.011 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.980 2.707 2.177 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.214 6.163 4.342 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.358 1.321 4.169 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.600 4.781 6.334 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.482 2.326 7.128 1.00 0.00 H new ATOM 542 N ILE A 39 -5.765 6.184 -0.695 1.00 0.00 N ATOM 543 CA ILE A 39 -5.612 7.008 -1.890 1.00 0.00 C ATOM 544 C ILE A 39 -6.802 7.943 -2.060 1.00 0.00 C ATOM 545 O ILE A 39 -7.946 7.504 -2.181 1.00 0.00 O ATOM 546 CB ILE A 39 -5.477 6.151 -3.171 1.00 0.00 C ATOM 547 CG1 ILE A 39 -4.215 5.288 -3.122 1.00 0.00 C ATOM 548 CG2 ILE A 39 -5.465 7.037 -4.408 1.00 0.00 C ATOM 549 CD1 ILE A 39 -2.923 6.068 -3.195 1.00 0.00 C ATOM 0 H ILE A 39 -5.919 5.193 -0.882 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.698 7.585 -1.752 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.341 5.488 -3.226 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.223 4.706 -2.200 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.243 4.577 -3.948 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.369 6.417 -5.299 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.395 7.604 -4.459 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.622 7.726 -4.354 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.079 5.379 -3.154 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.889 6.629 -4.129 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.868 6.760 -2.355 1.00 0.00 H new ATOM 561 N ARG A 40 -6.514 9.236 -2.053 1.00 0.00 N ATOM 562 CA ARG A 40 -7.534 10.254 -2.225 1.00 0.00 C ATOM 563 C ARG A 40 -7.667 10.595 -3.701 1.00 0.00 C ATOM 564 O ARG A 40 -8.765 10.833 -4.193 1.00 0.00 O ATOM 565 CB ARG A 40 -7.168 11.506 -1.413 1.00 0.00 C ATOM 566 CG ARG A 40 -8.320 12.480 -1.174 1.00 0.00 C ATOM 567 CD ARG A 40 -8.263 13.696 -2.089 1.00 0.00 C ATOM 568 NE ARG A 40 -8.868 13.445 -3.397 1.00 0.00 N ATOM 569 CZ ARG A 40 -9.151 14.401 -4.284 1.00 0.00 C ATOM 570 NH1 ARG A 40 -8.819 15.661 -4.034 1.00 0.00 N ATOM 571 NH2 ARG A 40 -9.752 14.100 -5.426 1.00 0.00 N ATOM 0 H ARG A 40 -5.571 9.605 -1.929 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.490 9.876 -1.863 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.772 11.191 -0.447 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.367 12.034 -1.930 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.266 11.961 -1.326 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.301 12.811 -0.136 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.775 14.531 -1.610 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.224 13.995 -2.225 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.087 12.480 -3.646 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.346 15.901 -3.162 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.036 16.390 -4.713 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.001 13.133 -5.632 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.965 14.836 -6.099 1.00 0.00 H new ATOM 585 N LEU A 41 -6.538 10.603 -4.402 1.00 0.00 N ATOM 586 CA LEU A 41 -6.523 10.959 -5.815 1.00 0.00 C ATOM 587 C LEU A 41 -5.252 10.484 -6.495 1.00 0.00 C ATOM 588 O LEU A 41 -4.171 10.505 -5.902 1.00 0.00 O ATOM 589 CB LEU A 41 -6.642 12.473 -5.995 1.00 0.00 C ATOM 590 CG LEU A 41 -6.500 12.961 -7.439 1.00 0.00 C ATOM 591 CD1 LEU A 41 -7.685 12.520 -8.281 1.00 0.00 C ATOM 592 CD2 LEU A 41 -6.336 14.468 -7.479 1.00 0.00 C ATOM 0 H LEU A 41 -5.624 10.368 -4.015 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.378 10.465 -6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.610 12.795 -5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.879 12.958 -5.386 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.603 12.510 -7.864 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.560 12.880 -9.302 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.744 11.432 -8.284 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.603 12.932 -7.862 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.237 14.796 -8.514 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.210 14.941 -7.031 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.444 14.752 -6.921 1.00 0.00 H new ATOM 604 N VAL A 42 -5.401 10.057 -7.738 1.00 0.00 N ATOM 605 CA VAL A 42 -4.274 9.764 -8.601 1.00 0.00 C ATOM 606 C VAL A 42 -4.332 10.683 -9.814 1.00 0.00 C ATOM 607 O VAL A 42 -5.300 10.652 -10.580 1.00 0.00 O ATOM 608 CB VAL A 42 -4.266 8.293 -9.067 1.00 0.00 C ATOM 609 CG1 VAL A 42 -3.055 8.015 -9.941 1.00 0.00 C ATOM 610 CG2 VAL A 42 -4.290 7.351 -7.873 1.00 0.00 C ATOM 0 H VAL A 42 -6.310 9.904 -8.176 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.359 9.931 -8.033 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.164 8.118 -9.659 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.068 6.973 -10.259 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.083 8.662 -10.817 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.145 8.210 -9.374 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.284 6.319 -8.224 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.412 7.528 -7.252 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.191 7.530 -7.287 1.00 0.00 H new ATOM 620 N GLU A 43 -3.319 11.523 -9.959 1.00 0.00 N ATOM 621 CA GLU A 43 -3.264 12.478 -11.056 1.00 0.00 C ATOM 622 C GLU A 43 -3.060 11.741 -12.373 1.00 0.00 C ATOM 623 O GLU A 43 -2.175 10.900 -12.482 1.00 0.00 O ATOM 624 CB GLU A 43 -2.115 13.468 -10.832 1.00 0.00 C ATOM 625 CG GLU A 43 -2.192 14.219 -9.510 1.00 0.00 C ATOM 626 CD GLU A 43 -3.273 15.278 -9.489 1.00 0.00 C ATOM 627 OE1 GLU A 43 -4.028 15.388 -10.475 1.00 0.00 O ATOM 628 OE2 GLU A 43 -3.358 16.021 -8.487 1.00 0.00 O ATOM 0 H GLU A 43 -2.519 11.563 -9.327 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.204 13.028 -11.095 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.170 12.927 -10.876 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.107 14.190 -11.648 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.374 13.507 -8.705 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.229 14.688 -9.309 1.00 0.00 H new ATOM 635 N PRO A 44 -3.881 12.023 -13.388 1.00 0.00 N ATOM 636 CA PRO A 44 -3.733 11.402 -14.697 1.00 0.00 C ATOM 637 C PRO A 44 -2.488 11.905 -15.411 1.00 0.00 C ATOM 638 O PRO A 44 -2.328 13.103 -15.649 1.00 0.00 O ATOM 639 CB PRO A 44 -4.995 11.808 -15.459 1.00 0.00 C ATOM 640 CG PRO A 44 -5.891 12.441 -14.450 1.00 0.00 C ATOM 641 CD PRO A 44 -5.010 12.949 -13.346 1.00 0.00 C ATOM 0 HA PRO A 44 -3.618 10.320 -14.624 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.759 12.504 -16.264 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.472 10.941 -15.917 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.461 13.256 -14.896 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.613 11.720 -14.067 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.697 13.979 -13.519 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.516 12.928 -12.381 1.00 0.00 H new ATOM 649 N GLY A 45 -1.616 10.979 -15.742 1.00 0.00 N ATOM 650 CA GLY A 45 -0.344 11.323 -16.343 1.00 0.00 C ATOM 651 C GLY A 45 0.784 11.260 -15.333 1.00 0.00 C ATOM 652 O GLY A 45 1.862 11.823 -15.547 1.00 0.00 O ATOM 0 H GLY A 45 -1.764 9.979 -15.605 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.134 10.641 -17.167 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.400 12.326 -16.765 1.00 0.00 H new ATOM 656 N SER A 46 0.528 10.588 -14.223 1.00 0.00 N ATOM 657 CA SER A 46 1.515 10.444 -13.171 1.00 0.00 C ATOM 658 C SER A 46 2.089 9.032 -13.178 1.00 0.00 C ATOM 659 O SER A 46 1.444 8.089 -13.646 1.00 0.00 O ATOM 660 CB SER A 46 0.867 10.725 -11.816 1.00 0.00 C ATOM 661 OG SER A 46 -0.104 9.743 -11.505 1.00 0.00 O ATOM 0 H SER A 46 -0.363 10.131 -14.028 1.00 0.00 H new ATOM 0 HA SER A 46 2.322 11.156 -13.344 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.632 10.744 -11.040 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.402 11.711 -11.829 1.00 0.00 H new ATOM 0 HG SER A 46 -0.980 10.033 -11.835 1.00 0.00 H new ATOM 667 N PRO A 47 3.316 8.868 -12.662 1.00 0.00 N ATOM 668 CA PRO A 47 3.936 7.552 -12.496 1.00 0.00 C ATOM 669 C PRO A 47 3.178 6.691 -11.490 1.00 0.00 C ATOM 670 O PRO A 47 3.369 5.476 -11.431 1.00 0.00 O ATOM 671 CB PRO A 47 5.341 7.872 -11.979 1.00 0.00 C ATOM 672 CG PRO A 47 5.227 9.236 -11.387 1.00 0.00 C ATOM 673 CD PRO A 47 4.206 9.954 -12.217 1.00 0.00 C ATOM 0 HA PRO A 47 3.939 6.981 -13.424 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.664 7.144 -11.235 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.074 7.851 -12.786 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.918 9.185 -10.343 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.186 9.754 -11.410 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.669 10.703 -11.636 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.663 10.472 -13.060 1.00 0.00 H new ATOM 681 N ALA A 48 2.311 7.331 -10.709 1.00 0.00 N ATOM 682 CA ALA A 48 1.491 6.631 -9.734 1.00 0.00 C ATOM 683 C ALA A 48 0.492 5.712 -10.433 1.00 0.00 C ATOM 684 O ALA A 48 0.199 4.615 -9.953 1.00 0.00 O ATOM 685 CB ALA A 48 0.766 7.626 -8.840 1.00 0.00 C ATOM 0 H ALA A 48 2.161 8.339 -10.736 1.00 0.00 H new ATOM 0 HA ALA A 48 2.143 6.017 -9.112 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.156 7.087 -8.115 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.496 8.241 -8.314 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.126 8.264 -9.450 1.00 0.00 H new ATOM 691 N GLU A 49 -0.015 6.158 -11.581 1.00 0.00 N ATOM 692 CA GLU A 49 -0.943 5.352 -12.367 1.00 0.00 C ATOM 693 C GLU A 49 -0.242 4.103 -12.885 1.00 0.00 C ATOM 694 O GLU A 49 -0.816 3.018 -12.911 1.00 0.00 O ATOM 695 CB GLU A 49 -1.498 6.142 -13.554 1.00 0.00 C ATOM 696 CG GLU A 49 -2.159 7.454 -13.177 1.00 0.00 C ATOM 697 CD GLU A 49 -2.993 8.017 -14.306 1.00 0.00 C ATOM 698 OE1 GLU A 49 -2.410 8.508 -15.297 1.00 0.00 O ATOM 699 OE2 GLU A 49 -4.236 7.950 -14.221 1.00 0.00 O ATOM 0 H GLU A 49 0.201 7.069 -11.985 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.771 5.071 -11.716 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.686 6.345 -14.252 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.223 5.522 -14.081 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.790 7.303 -12.301 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.393 8.178 -12.897 1.00 0.00 H new ATOM 706 N LYS A 50 1.013 4.273 -13.277 1.00 0.00 N ATOM 707 CA LYS A 50 1.803 3.184 -13.841 1.00 0.00 C ATOM 708 C LYS A 50 2.179 2.164 -12.770 1.00 0.00 C ATOM 709 O LYS A 50 2.507 1.016 -13.077 1.00 0.00 O ATOM 710 CB LYS A 50 3.062 3.745 -14.510 1.00 0.00 C ATOM 711 CG LYS A 50 2.758 4.728 -15.630 1.00 0.00 C ATOM 712 CD LYS A 50 4.030 5.301 -16.243 1.00 0.00 C ATOM 713 CE LYS A 50 3.718 6.256 -17.387 1.00 0.00 C ATOM 714 NZ LYS A 50 3.032 5.572 -18.513 1.00 0.00 N ATOM 0 H LYS A 50 1.510 5.161 -13.215 1.00 0.00 H new ATOM 0 HA LYS A 50 1.198 2.673 -14.590 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.676 4.240 -13.757 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.652 2.920 -14.910 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.175 4.228 -16.404 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.143 5.541 -15.243 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.601 5.825 -15.476 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.658 4.488 -16.608 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.090 7.068 -17.020 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.644 6.706 -17.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.050 6.184 -19.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.520 4.678 -18.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.046 5.374 -18.250 1.00 0.00 H new ATOM 728 N ALA A 51 2.125 2.585 -11.513 1.00 0.00 N ATOM 729 CA ALA A 51 2.417 1.694 -10.400 1.00 0.00 C ATOM 730 C ALA A 51 1.168 0.920 -9.990 1.00 0.00 C ATOM 731 O ALA A 51 1.256 -0.105 -9.314 1.00 0.00 O ATOM 732 CB ALA A 51 2.971 2.479 -9.223 1.00 0.00 C ATOM 0 H ALA A 51 1.882 3.537 -11.240 1.00 0.00 H new ATOM 0 HA ALA A 51 3.172 0.977 -10.721 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.184 1.798 -8.399 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.889 2.984 -9.523 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.238 3.219 -8.902 1.00 0.00 H new ATOM 738 N GLY A 52 0.008 1.414 -10.406 1.00 0.00 N ATOM 739 CA GLY A 52 -1.234 0.708 -10.149 1.00 0.00 C ATOM 740 C GLY A 52 -2.008 1.271 -8.973 1.00 0.00 C ATOM 741 O GLY A 52 -2.749 0.549 -8.309 1.00 0.00 O ATOM 0 H GLY A 52 -0.095 2.291 -10.917 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.859 0.750 -11.041 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.015 -0.343 -9.962 1.00 0.00 H new ATOM 745 N LEU A 53 -1.839 2.560 -8.706 1.00 0.00 N ATOM 746 CA LEU A 53 -2.568 3.208 -7.621 1.00 0.00 C ATOM 747 C LEU A 53 -3.996 3.534 -8.056 1.00 0.00 C ATOM 748 O LEU A 53 -4.221 4.016 -9.168 1.00 0.00 O ATOM 749 CB LEU A 53 -1.847 4.479 -7.154 1.00 0.00 C ATOM 750 CG LEU A 53 -0.692 4.261 -6.163 1.00 0.00 C ATOM 751 CD1 LEU A 53 0.421 3.434 -6.782 1.00 0.00 C ATOM 752 CD2 LEU A 53 -0.147 5.595 -5.680 1.00 0.00 C ATOM 0 H LEU A 53 -1.208 3.174 -9.221 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.609 2.515 -6.781 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.457 4.997 -8.030 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.579 5.141 -6.691 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.087 3.709 -5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.221 3.299 -6.055 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.030 2.460 -7.076 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.812 3.949 -7.660 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.670 5.422 -4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.220 6.168 -6.532 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.940 6.153 -5.182 1.00 0.00 H new ATOM 764 N LEU A 54 -4.955 3.265 -7.177 1.00 0.00 N ATOM 765 CA LEU A 54 -6.366 3.462 -7.481 1.00 0.00 C ATOM 766 C LEU A 54 -7.112 3.886 -6.218 1.00 0.00 C ATOM 767 O LEU A 54 -6.807 3.409 -5.123 1.00 0.00 O ATOM 768 CB LEU A 54 -6.947 2.161 -8.061 1.00 0.00 C ATOM 769 CG LEU A 54 -8.388 2.235 -8.583 1.00 0.00 C ATOM 770 CD1 LEU A 54 -8.570 1.292 -9.760 1.00 0.00 C ATOM 771 CD2 LEU A 54 -9.373 1.878 -7.482 1.00 0.00 C ATOM 0 H LEU A 54 -4.777 2.906 -6.239 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.481 4.253 -8.222 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.304 1.833 -8.877 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.901 1.392 -7.290 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.581 3.256 -8.911 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -9.597 1.354 -10.121 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.886 1.574 -10.561 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.358 0.271 -9.444 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.390 1.936 -7.871 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.176 0.865 -7.132 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.261 2.577 -6.653 1.00 0.00 H new ATOM 783 N ALA A 55 -8.074 4.793 -6.373 1.00 0.00 N ATOM 784 CA ALA A 55 -8.839 5.307 -5.239 1.00 0.00 C ATOM 785 C ALA A 55 -9.733 4.225 -4.647 1.00 0.00 C ATOM 786 O ALA A 55 -10.726 3.818 -5.252 1.00 0.00 O ATOM 787 CB ALA A 55 -9.670 6.510 -5.657 1.00 0.00 C ATOM 0 H ALA A 55 -8.343 5.188 -7.274 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.132 5.621 -4.471 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.233 6.879 -4.800 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.012 7.297 -6.025 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.362 6.217 -6.447 1.00 0.00 H new ATOM 793 N GLY A 56 -9.373 3.765 -3.461 1.00 0.00 N ATOM 794 CA GLY A 56 -10.106 2.686 -2.826 1.00 0.00 C ATOM 795 C GLY A 56 -9.181 1.616 -2.288 1.00 0.00 C ATOM 796 O GLY A 56 -9.630 0.567 -1.828 1.00 0.00 O ATOM 0 H GLY A 56 -8.583 4.120 -2.922 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.710 3.087 -2.012 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.795 2.243 -3.545 1.00 0.00 H new ATOM 800 N ASP A 57 -7.887 1.894 -2.350 1.00 0.00 N ATOM 801 CA ASP A 57 -6.855 0.993 -1.851 1.00 0.00 C ATOM 802 C ASP A 57 -6.829 0.951 -0.327 1.00 0.00 C ATOM 803 O ASP A 57 -7.688 1.515 0.356 1.00 0.00 O ATOM 804 CB ASP A 57 -5.494 1.509 -2.307 1.00 0.00 C ATOM 805 CG ASP A 57 -5.088 2.722 -1.493 1.00 0.00 C ATOM 806 OD1 ASP A 57 -5.923 3.645 -1.352 1.00 0.00 O ATOM 807 OD2 ASP A 57 -3.961 2.740 -0.968 1.00 0.00 O ATOM 0 H ASP A 57 -7.520 2.757 -2.751 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.071 -0.004 -2.236 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.746 0.724 -2.199 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.533 1.769 -3.365 1.00 0.00 H new ATOM 812 N ARG A 58 -5.824 0.264 0.183 1.00 0.00 N ATOM 813 CA ARG A 58 -5.441 0.355 1.577 1.00 0.00 C ATOM 814 C ARG A 58 -3.923 0.454 1.660 1.00 0.00 C ATOM 815 O ARG A 58 -3.215 -0.483 1.274 1.00 0.00 O ATOM 816 CB ARG A 58 -5.951 -0.863 2.365 1.00 0.00 C ATOM 817 CG ARG A 58 -5.294 -1.053 3.732 1.00 0.00 C ATOM 818 CD ARG A 58 -5.823 -2.296 4.436 1.00 0.00 C ATOM 819 NE ARG A 58 -5.023 -2.665 5.608 1.00 0.00 N ATOM 820 CZ ARG A 58 -5.471 -3.441 6.607 1.00 0.00 C ATOM 821 NH1 ARG A 58 -6.693 -3.951 6.569 1.00 0.00 N ATOM 822 NH2 ARG A 58 -4.669 -3.762 7.610 1.00 0.00 N ATOM 0 H ARG A 58 -5.248 -0.377 -0.363 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.891 1.243 2.021 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.028 -0.765 2.504 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.787 -1.761 1.769 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.214 -1.134 3.610 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.480 -0.176 4.352 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.854 -2.123 4.745 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.836 -3.129 3.733 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.068 -2.311 5.668 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.303 -3.755 5.775 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.024 -4.540 7.333 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.708 -3.419 7.625 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.012 -4.352 8.368 1.00 0.00 H new ATOM 836 N LEU A 59 -3.427 1.584 2.148 1.00 0.00 N ATOM 837 CA LEU A 59 -1.996 1.792 2.271 1.00 0.00 C ATOM 838 C LEU A 59 -1.471 1.057 3.498 1.00 0.00 C ATOM 839 O LEU A 59 -1.718 1.462 4.636 1.00 0.00 O ATOM 840 CB LEU A 59 -1.673 3.287 2.357 1.00 0.00 C ATOM 841 CG LEU A 59 -0.185 3.634 2.347 1.00 0.00 C ATOM 842 CD1 LEU A 59 0.463 3.177 1.050 1.00 0.00 C ATOM 843 CD2 LEU A 59 0.010 5.130 2.545 1.00 0.00 C ATOM 0 H LEU A 59 -3.997 2.368 2.464 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.504 1.392 1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.153 3.795 1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.116 3.686 3.269 1.00 0.00 H new ATOM 0 HG LEU A 59 0.298 3.110 3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.522 3.433 1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.352 2.097 0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.020 3.672 0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.075 5.362 2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.487 5.671 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.418 5.429 3.502 1.00 0.00 H new ATOM 855 N VAL A 60 -0.767 -0.038 3.258 1.00 0.00 N ATOM 856 CA VAL A 60 -0.283 -0.886 4.336 1.00 0.00 C ATOM 857 C VAL A 60 1.174 -0.580 4.692 1.00 0.00 C ATOM 858 O VAL A 60 1.542 -0.580 5.866 1.00 0.00 O ATOM 859 CB VAL A 60 -0.465 -2.391 3.992 1.00 0.00 C ATOM 860 CG1 VAL A 60 -0.302 -2.631 2.506 1.00 0.00 C ATOM 861 CG2 VAL A 60 0.491 -3.271 4.786 1.00 0.00 C ATOM 0 H VAL A 60 -0.517 -0.361 2.323 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.888 -0.663 5.215 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.480 -2.667 4.276 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.434 -3.692 2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.049 -2.055 1.960 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.695 -2.319 2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.332 -4.315 4.517 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.519 -2.990 4.558 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.307 -3.139 5.852 1.00 0.00 H new ATOM 871 N GLU A 61 1.997 -0.293 3.695 1.00 0.00 N ATOM 872 CA GLU A 61 3.412 -0.054 3.946 1.00 0.00 C ATOM 873 C GLU A 61 4.008 0.925 2.935 1.00 0.00 C ATOM 874 O GLU A 61 3.542 1.024 1.800 1.00 0.00 O ATOM 875 CB GLU A 61 4.162 -1.393 3.922 1.00 0.00 C ATOM 876 CG GLU A 61 5.673 -1.264 3.976 1.00 0.00 C ATOM 877 CD GLU A 61 6.367 -2.586 4.210 1.00 0.00 C ATOM 878 OE1 GLU A 61 6.135 -3.194 5.275 1.00 0.00 O ATOM 879 OE2 GLU A 61 7.155 -3.011 3.345 1.00 0.00 O ATOM 0 H GLU A 61 1.716 -0.220 2.717 1.00 0.00 H new ATOM 0 HA GLU A 61 3.519 0.404 4.929 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.830 -1.997 4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.887 -1.934 3.016 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.030 -0.832 3.041 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.945 -0.570 4.771 1.00 0.00 H new ATOM 886 N VAL A 62 5.040 1.644 3.369 1.00 0.00 N ATOM 887 CA VAL A 62 5.753 2.593 2.520 1.00 0.00 C ATOM 888 C VAL A 62 7.260 2.422 2.688 1.00 0.00 C ATOM 889 O VAL A 62 7.787 2.600 3.786 1.00 0.00 O ATOM 890 CB VAL A 62 5.385 4.061 2.853 1.00 0.00 C ATOM 891 CG1 VAL A 62 6.195 5.032 2.003 1.00 0.00 C ATOM 892 CG2 VAL A 62 3.896 4.305 2.659 1.00 0.00 C ATOM 0 H VAL A 62 5.405 1.585 4.320 1.00 0.00 H new ATOM 0 HA VAL A 62 5.457 2.383 1.492 1.00 0.00 H new ATOM 0 HB VAL A 62 5.629 4.235 3.901 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.918 6.055 2.256 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.258 4.885 2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.990 4.851 0.948 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.663 5.342 2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.626 4.103 1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.330 3.645 3.316 1.00 0.00 H new ATOM 902 N ASN A 63 7.932 2.054 1.600 1.00 0.00 N ATOM 903 CA ASN A 63 9.394 1.917 1.570 1.00 0.00 C ATOM 904 C ASN A 63 9.913 0.945 2.628 1.00 0.00 C ATOM 905 O ASN A 63 11.033 1.096 3.115 1.00 0.00 O ATOM 906 CB ASN A 63 10.087 3.277 1.746 1.00 0.00 C ATOM 907 CG ASN A 63 9.929 4.186 0.540 1.00 0.00 C ATOM 908 OD1 ASN A 63 9.777 3.725 -0.591 1.00 0.00 O ATOM 909 ND2 ASN A 63 9.990 5.488 0.771 1.00 0.00 N ATOM 0 H ASN A 63 7.481 1.841 0.710 1.00 0.00 H new ATOM 0 HA ASN A 63 9.637 1.511 0.588 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.678 3.775 2.625 1.00 0.00 H new ATOM 0 HB3 ASN A 63 11.148 3.116 1.935 1.00 0.00 H new ATOM 0 HD21 ASN A 63 9.910 6.148 -0.003 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.117 5.832 1.723 1.00 0.00 H new ATOM 916 N GLY A 64 9.109 -0.048 2.980 1.00 0.00 N ATOM 917 CA GLY A 64 9.563 -1.063 3.915 1.00 0.00 C ATOM 918 C GLY A 64 9.103 -0.823 5.342 1.00 0.00 C ATOM 919 O GLY A 64 9.501 -1.550 6.252 1.00 0.00 O ATOM 0 H GLY A 64 8.156 -0.171 2.639 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.202 -2.037 3.585 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.652 -1.103 3.895 1.00 0.00 H new ATOM 923 N GLU A 65 8.267 0.184 5.553 1.00 0.00 N ATOM 924 CA GLU A 65 7.753 0.455 6.886 1.00 0.00 C ATOM 925 C GLU A 65 6.231 0.464 6.883 1.00 0.00 C ATOM 926 O GLU A 65 5.605 1.126 6.053 1.00 0.00 O ATOM 927 CB GLU A 65 8.289 1.781 7.423 1.00 0.00 C ATOM 928 CG GLU A 65 7.922 2.030 8.879 1.00 0.00 C ATOM 929 CD GLU A 65 8.349 0.890 9.783 1.00 0.00 C ATOM 930 OE1 GLU A 65 7.553 -0.055 9.975 1.00 0.00 O ATOM 931 OE2 GLU A 65 9.486 0.928 10.302 1.00 0.00 O ATOM 0 H GLU A 65 7.934 0.819 4.828 1.00 0.00 H new ATOM 0 HA GLU A 65 8.096 -0.343 7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.374 1.795 7.321 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.901 2.596 6.813 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.391 2.954 9.217 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.844 2.171 8.961 1.00 0.00 H new ATOM 938 N ASN A 66 5.654 -0.274 7.820 1.00 0.00 N ATOM 939 CA ASN A 66 4.209 -0.422 7.920 1.00 0.00 C ATOM 940 C ASN A 66 3.551 0.895 8.304 1.00 0.00 C ATOM 941 O ASN A 66 3.922 1.519 9.301 1.00 0.00 O ATOM 942 CB ASN A 66 3.868 -1.489 8.960 1.00 0.00 C ATOM 943 CG ASN A 66 2.388 -1.788 9.022 1.00 0.00 C ATOM 944 OD1 ASN A 66 1.634 -1.129 9.740 1.00 0.00 O ATOM 945 ND2 ASN A 66 1.963 -2.794 8.280 1.00 0.00 N ATOM 0 H ASN A 66 6.174 -0.787 8.532 1.00 0.00 H new ATOM 0 HA ASN A 66 3.829 -0.726 6.945 1.00 0.00 H new ATOM 0 HB2 ASN A 66 4.411 -2.405 8.727 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.209 -1.157 9.941 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.976 -3.052 8.287 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.622 -3.313 7.700 1.00 0.00 H new ATOM 952 N VAL A 67 2.568 1.312 7.519 1.00 0.00 N ATOM 953 CA VAL A 67 1.914 2.593 7.740 1.00 0.00 C ATOM 954 C VAL A 67 0.403 2.444 7.913 1.00 0.00 C ATOM 955 O VAL A 67 -0.356 3.393 7.700 1.00 0.00 O ATOM 956 CB VAL A 67 2.203 3.573 6.587 1.00 0.00 C ATOM 957 CG1 VAL A 67 3.692 3.874 6.500 1.00 0.00 C ATOM 958 CG2 VAL A 67 1.686 3.023 5.267 1.00 0.00 C ATOM 0 H VAL A 67 2.207 0.783 6.725 1.00 0.00 H new ATOM 0 HA VAL A 67 2.327 2.995 8.665 1.00 0.00 H new ATOM 0 HB VAL A 67 1.677 4.505 6.793 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.876 4.568 5.680 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.028 4.321 7.436 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.240 2.949 6.322 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.902 3.732 4.468 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.176 2.074 5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.609 2.868 5.334 1.00 0.00 H new ATOM 968 N GLU A 68 -0.025 1.260 8.333 1.00 0.00 N ATOM 969 CA GLU A 68 -1.445 0.960 8.490 1.00 0.00 C ATOM 970 C GLU A 68 -2.064 1.754 9.635 1.00 0.00 C ATOM 971 O GLU A 68 -3.270 1.994 9.659 1.00 0.00 O ATOM 972 CB GLU A 68 -1.631 -0.529 8.752 1.00 0.00 C ATOM 973 CG GLU A 68 -1.125 -1.416 7.631 1.00 0.00 C ATOM 974 CD GLU A 68 -1.305 -2.885 7.934 1.00 0.00 C ATOM 975 OE1 GLU A 68 -0.626 -3.401 8.847 1.00 0.00 O ATOM 976 OE2 GLU A 68 -2.136 -3.526 7.274 1.00 0.00 O ATOM 0 H GLU A 68 0.595 0.486 8.573 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.949 1.245 7.566 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.113 -0.794 9.674 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.690 -0.731 8.912 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.654 -1.170 6.710 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.069 -1.210 7.457 1.00 0.00 H new ATOM 983 N LYS A 69 -1.233 2.138 10.587 1.00 0.00 N ATOM 984 CA LYS A 69 -1.696 2.853 11.767 1.00 0.00 C ATOM 985 C LYS A 69 -0.920 4.151 11.965 1.00 0.00 C ATOM 986 O LYS A 69 -0.738 4.623 13.092 1.00 0.00 O ATOM 987 CB LYS A 69 -1.575 1.950 12.995 1.00 0.00 C ATOM 988 CG LYS A 69 -0.238 1.236 13.095 1.00 0.00 C ATOM 989 CD LYS A 69 -0.412 -0.203 13.551 1.00 0.00 C ATOM 990 CE LYS A 69 -1.312 -0.976 12.597 1.00 0.00 C ATOM 991 NZ LYS A 69 -1.380 -2.422 12.933 1.00 0.00 N ATOM 0 H LYS A 69 -0.228 1.966 10.567 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.743 3.120 11.626 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.725 2.550 13.893 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.373 1.208 12.970 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.260 1.255 12.125 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.408 1.766 13.795 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.562 -0.689 13.611 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.839 -0.221 14.554 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.316 -0.552 12.624 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.943 -0.859 11.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.004 -2.907 12.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.427 -2.835 12.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.757 -2.537 13.895 1.00 0.00 H new ATOM 1005 N GLU A 70 -0.470 4.727 10.859 1.00 0.00 N ATOM 1006 CA GLU A 70 0.260 5.985 10.889 1.00 0.00 C ATOM 1007 C GLU A 70 -0.689 7.160 10.695 1.00 0.00 C ATOM 1008 O GLU A 70 -1.911 7.000 10.706 1.00 0.00 O ATOM 1009 CB GLU A 70 1.322 5.999 9.791 1.00 0.00 C ATOM 1010 CG GLU A 70 2.404 4.953 9.980 1.00 0.00 C ATOM 1011 CD GLU A 70 3.257 5.213 11.199 1.00 0.00 C ATOM 1012 OE1 GLU A 70 4.045 6.178 11.174 1.00 0.00 O ATOM 1013 OE2 GLU A 70 3.151 4.448 12.178 1.00 0.00 O ATOM 0 H GLU A 70 -0.599 4.339 9.924 1.00 0.00 H new ATOM 0 HA GLU A 70 0.742 6.079 11.862 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.838 5.840 8.827 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.784 6.986 9.756 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.942 3.970 10.067 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.040 4.929 9.095 1.00 0.00 H new ATOM 1020 N THR A 71 -0.118 8.341 10.527 1.00 0.00 N ATOM 1021 CA THR A 71 -0.900 9.530 10.253 1.00 0.00 C ATOM 1022 C THR A 71 -0.604 10.025 8.844 1.00 0.00 C ATOM 1023 O THR A 71 0.211 9.425 8.135 1.00 0.00 O ATOM 1024 CB THR A 71 -0.582 10.661 11.248 1.00 0.00 C ATOM 1025 OG1 THR A 71 0.746 11.149 11.019 1.00 0.00 O ATOM 1026 CG2 THR A 71 -0.697 10.184 12.688 1.00 0.00 C ATOM 0 H THR A 71 0.888 8.500 10.576 1.00 0.00 H new ATOM 0 HA THR A 71 -1.952 9.262 10.354 1.00 0.00 H new ATOM 0 HB THR A 71 -1.308 11.458 11.090 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.967 11.825 11.693 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.466 11.008 13.364 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.712 9.835 12.876 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.005 9.367 12.858 1.00 0.00 H new ATOM 1034 N HIS A 72 -1.240 11.112 8.441 1.00 0.00 N ATOM 1035 CA HIS A 72 -0.957 11.701 7.145 1.00 0.00 C ATOM 1036 C HIS A 72 0.483 12.205 7.105 1.00 0.00 C ATOM 1037 O HIS A 72 1.214 11.938 6.158 1.00 0.00 O ATOM 1038 CB HIS A 72 -1.933 12.845 6.844 1.00 0.00 C ATOM 1039 CG HIS A 72 -1.707 13.488 5.507 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -2.219 12.979 4.333 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -1.013 14.598 5.160 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -1.847 13.742 3.323 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -1.114 14.733 3.796 1.00 0.00 N ATOM 0 H HIS A 72 -1.949 11.600 8.987 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.085 10.936 6.380 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -2.953 12.463 6.887 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.844 13.603 7.623 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -2.796 12.142 4.257 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.479 15.255 5.831 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.099 13.583 2.285 1.00 0.00 H new ATOM 1052 N GLN A 73 0.886 12.919 8.142 1.00 0.00 N ATOM 1053 CA GLN A 73 2.222 13.490 8.196 1.00 0.00 C ATOM 1054 C GLN A 73 3.297 12.408 8.310 1.00 0.00 C ATOM 1055 O GLN A 73 4.358 12.522 7.698 1.00 0.00 O ATOM 1056 CB GLN A 73 2.341 14.474 9.356 1.00 0.00 C ATOM 1057 CG GLN A 73 3.647 15.249 9.335 1.00 0.00 C ATOM 1058 CD GLN A 73 3.695 16.376 10.345 1.00 0.00 C ATOM 1059 OE1 GLN A 73 4.359 17.390 10.121 1.00 0.00 O ATOM 1060 NE2 GLN A 73 3.002 16.216 11.458 1.00 0.00 N ATOM 0 H GLN A 73 0.308 13.118 8.958 1.00 0.00 H new ATOM 0 HA GLN A 73 2.384 14.024 7.260 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.507 15.175 9.320 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.261 13.931 10.298 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.471 14.562 9.529 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.801 15.659 8.337 1.00 0.00 H new ATOM 0 HE21 GLN A 73 2.465 15.362 11.606 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.004 16.947 12.170 1.00 0.00 H new ATOM 1069 N GLN A 74 3.009 11.352 9.074 1.00 0.00 N ATOM 1070 CA GLN A 74 3.988 10.293 9.314 1.00 0.00 C ATOM 1071 C GLN A 74 4.403 9.630 8.007 1.00 0.00 C ATOM 1072 O GLN A 74 5.582 9.360 7.786 1.00 0.00 O ATOM 1073 CB GLN A 74 3.428 9.236 10.273 1.00 0.00 C ATOM 1074 CG GLN A 74 3.248 9.726 11.705 1.00 0.00 C ATOM 1075 CD GLN A 74 4.559 9.957 12.429 1.00 0.00 C ATOM 1076 OE1 GLN A 74 4.665 10.854 13.269 1.00 0.00 O ATOM 1077 NE2 GLN A 74 5.550 9.130 12.147 1.00 0.00 N ATOM 0 H GLN A 74 2.110 11.209 9.534 1.00 0.00 H new ATOM 0 HA GLN A 74 4.864 10.753 9.770 1.00 0.00 H new ATOM 0 HB2 GLN A 74 2.465 8.892 9.895 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.096 8.374 10.277 1.00 0.00 H new ATOM 0 HG2 GLN A 74 2.678 10.655 11.695 1.00 0.00 H new ATOM 0 HG3 GLN A 74 2.658 8.996 12.260 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.422 8.401 11.445 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.443 9.221 12.631 1.00 0.00 H new ATOM 1086 N VAL A 75 3.435 9.358 7.142 1.00 0.00 N ATOM 1087 CA VAL A 75 3.737 8.742 5.858 1.00 0.00 C ATOM 1088 C VAL A 75 4.438 9.713 4.914 1.00 0.00 C ATOM 1089 O VAL A 75 5.365 9.329 4.198 1.00 0.00 O ATOM 1090 CB VAL A 75 2.492 8.159 5.167 1.00 0.00 C ATOM 1091 CG1 VAL A 75 2.022 6.918 5.901 1.00 0.00 C ATOM 1092 CG2 VAL A 75 1.370 9.176 5.075 1.00 0.00 C ATOM 0 H VAL A 75 2.446 9.551 7.303 1.00 0.00 H new ATOM 0 HA VAL A 75 4.412 7.917 6.084 1.00 0.00 H new ATOM 0 HB VAL A 75 2.772 7.889 4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.140 6.513 5.404 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.816 6.171 5.898 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.772 7.177 6.930 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.510 8.725 4.581 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.086 9.496 6.077 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.707 10.039 4.500 1.00 0.00 H new ATOM 1102 N VAL A 76 3.990 10.962 4.919 1.00 0.00 N ATOM 1103 CA VAL A 76 4.592 12.012 4.097 1.00 0.00 C ATOM 1104 C VAL A 76 6.097 12.119 4.341 1.00 0.00 C ATOM 1105 O VAL A 76 6.863 12.324 3.400 1.00 0.00 O ATOM 1106 CB VAL A 76 3.925 13.385 4.341 1.00 0.00 C ATOM 1107 CG1 VAL A 76 4.684 14.501 3.633 1.00 0.00 C ATOM 1108 CG2 VAL A 76 2.482 13.364 3.871 1.00 0.00 C ATOM 0 H VAL A 76 3.204 11.278 5.488 1.00 0.00 H new ATOM 0 HA VAL A 76 4.425 11.728 3.058 1.00 0.00 H new ATOM 0 HB VAL A 76 3.949 13.580 5.413 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.191 15.454 3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.707 14.540 4.008 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.698 14.308 2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.027 14.338 4.050 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.450 13.139 2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.932 12.600 4.420 1.00 0.00 H new ATOM 1118 N SER A 77 6.520 11.950 5.593 1.00 0.00 N ATOM 1119 CA SER A 77 7.941 11.976 5.933 1.00 0.00 C ATOM 1120 C SER A 77 8.696 10.918 5.123 1.00 0.00 C ATOM 1121 O SER A 77 9.759 11.183 4.557 1.00 0.00 O ATOM 1122 CB SER A 77 8.125 11.711 7.431 1.00 0.00 C ATOM 1123 OG SER A 77 7.293 12.559 8.212 1.00 0.00 O ATOM 0 H SER A 77 5.900 11.794 6.387 1.00 0.00 H new ATOM 0 HA SER A 77 8.342 12.960 5.692 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.892 10.669 7.649 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.168 11.869 7.705 1.00 0.00 H new ATOM 0 HG SER A 77 7.430 12.366 9.163 1.00 0.00 H new ATOM 1129 N ARG A 78 8.110 9.730 5.054 1.00 0.00 N ATOM 1130 CA ARG A 78 8.686 8.615 4.312 1.00 0.00 C ATOM 1131 C ARG A 78 8.638 8.872 2.807 1.00 0.00 C ATOM 1132 O ARG A 78 9.549 8.493 2.073 1.00 0.00 O ATOM 1133 CB ARG A 78 7.939 7.331 4.669 1.00 0.00 C ATOM 1134 CG ARG A 78 8.017 7.007 6.148 1.00 0.00 C ATOM 1135 CD ARG A 78 7.046 5.912 6.546 1.00 0.00 C ATOM 1136 NE ARG A 78 7.176 5.576 7.959 1.00 0.00 N ATOM 1137 CZ ARG A 78 6.244 5.807 8.881 1.00 0.00 C ATOM 1138 NH1 ARG A 78 5.085 6.360 8.547 1.00 0.00 N ATOM 1139 NH2 ARG A 78 6.471 5.494 10.147 1.00 0.00 N ATOM 0 H ARG A 78 7.224 9.512 5.510 1.00 0.00 H new ATOM 0 HA ARG A 78 9.735 8.509 4.590 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.894 7.429 4.376 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.354 6.502 4.096 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.032 6.699 6.398 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.806 7.906 6.727 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.026 6.235 6.339 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.228 5.024 5.941 1.00 0.00 H new ATOM 0 HE ARG A 78 8.043 5.132 8.263 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.901 6.612 7.576 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.378 6.533 9.261 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.361 5.075 10.417 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.756 5.672 10.852 1.00 0.00 H new ATOM 1153 N ILE A 79 7.567 9.516 2.358 1.00 0.00 N ATOM 1154 CA ILE A 79 7.423 9.882 0.952 1.00 0.00 C ATOM 1155 C ILE A 79 8.503 10.885 0.547 1.00 0.00 C ATOM 1156 O ILE A 79 9.078 10.792 -0.536 1.00 0.00 O ATOM 1157 CB ILE A 79 6.026 10.477 0.663 1.00 0.00 C ATOM 1158 CG1 ILE A 79 4.933 9.476 1.048 1.00 0.00 C ATOM 1159 CG2 ILE A 79 5.899 10.861 -0.807 1.00 0.00 C ATOM 1160 CD1 ILE A 79 3.527 10.018 0.901 1.00 0.00 C ATOM 0 H ILE A 79 6.783 9.796 2.948 1.00 0.00 H new ATOM 0 HA ILE A 79 7.537 8.972 0.363 1.00 0.00 H new ATOM 0 HB ILE A 79 5.904 11.378 1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.035 8.585 0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.086 9.165 2.081 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.909 11.278 -0.990 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.657 11.604 -1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.041 9.976 -1.428 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.809 9.251 1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.405 10.891 1.542 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.353 10.302 -0.137 1.00 0.00 H new ATOM 1172 N ARG A 80 8.788 11.831 1.437 1.00 0.00 N ATOM 1173 CA ARG A 80 9.828 12.827 1.193 1.00 0.00 C ATOM 1174 C ARG A 80 11.208 12.175 1.233 1.00 0.00 C ATOM 1175 O ARG A 80 12.172 12.699 0.669 1.00 0.00 O ATOM 1176 CB ARG A 80 9.766 13.948 2.236 1.00 0.00 C ATOM 1177 CG ARG A 80 8.440 14.692 2.284 1.00 0.00 C ATOM 1178 CD ARG A 80 8.156 15.446 0.996 1.00 0.00 C ATOM 1179 NE ARG A 80 6.926 16.233 1.094 1.00 0.00 N ATOM 1180 CZ ARG A 80 6.319 16.820 0.060 1.00 0.00 C ATOM 1181 NH1 ARG A 80 6.825 16.726 -1.164 1.00 0.00 N ATOM 1182 NH2 ARG A 80 5.202 17.509 0.262 1.00 0.00 N ATOM 0 H ARG A 80 8.313 11.929 2.334 1.00 0.00 H new ATOM 0 HA ARG A 80 9.657 13.254 0.205 1.00 0.00 H new ATOM 0 HB2 ARG A 80 9.966 13.523 3.220 1.00 0.00 H new ATOM 0 HB3 ARG A 80 10.562 14.663 2.030 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.634 13.983 2.472 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.449 15.393 3.119 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.993 16.105 0.767 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.072 14.739 0.171 1.00 0.00 H new ATOM 0 HE ARG A 80 6.503 16.340 2.016 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.686 16.201 -1.321 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.353 17.178 -1.947 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.814 17.587 1.202 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.732 17.960 -0.523 1.00 0.00 H new ATOM 1196 N ALA A 81 11.292 11.031 1.906 1.00 0.00 N ATOM 1197 CA ALA A 81 12.546 10.304 2.041 1.00 0.00 C ATOM 1198 C ALA A 81 12.849 9.503 0.779 1.00 0.00 C ATOM 1199 O ALA A 81 13.977 9.057 0.569 1.00 0.00 O ATOM 1200 CB ALA A 81 12.503 9.389 3.254 1.00 0.00 C ATOM 0 H ALA A 81 10.499 10.587 2.369 1.00 0.00 H new ATOM 0 HA ALA A 81 13.346 11.031 2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.448 8.853 3.339 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.340 9.984 4.153 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.689 8.673 3.141 1.00 0.00 H new ATOM 1206 N ALA A 82 11.830 9.303 -0.048 1.00 0.00 N ATOM 1207 CA ALA A 82 12.017 8.678 -1.343 1.00 0.00 C ATOM 1208 C ALA A 82 12.669 9.670 -2.298 1.00 0.00 C ATOM 1209 O ALA A 82 12.100 10.716 -2.616 1.00 0.00 O ATOM 1210 CB ALA A 82 10.688 8.196 -1.892 1.00 0.00 C ATOM 0 H ALA A 82 10.867 9.566 0.159 1.00 0.00 H new ATOM 0 HA ALA A 82 12.671 7.813 -1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.844 7.729 -2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 82 10.253 7.469 -1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.011 9.043 -2.001 1.00 0.00 H new ATOM 1216 N LEU A 83 13.867 9.329 -2.742 1.00 0.00 N ATOM 1217 CA LEU A 83 14.691 10.234 -3.531 1.00 0.00 C ATOM 1218 C LEU A 83 14.196 10.333 -4.965 1.00 0.00 C ATOM 1219 O LEU A 83 13.730 11.385 -5.401 1.00 0.00 O ATOM 1220 CB LEU A 83 16.146 9.764 -3.523 1.00 0.00 C ATOM 1221 CG LEU A 83 16.828 9.779 -2.156 1.00 0.00 C ATOM 1222 CD1 LEU A 83 18.249 9.250 -2.265 1.00 0.00 C ATOM 1223 CD2 LEU A 83 16.825 11.185 -1.578 1.00 0.00 C ATOM 0 H LEU A 83 14.296 8.420 -2.567 1.00 0.00 H new ATOM 0 HA LEU A 83 14.622 11.223 -3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 83 16.185 8.749 -3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 83 16.718 10.395 -4.203 1.00 0.00 H new ATOM 0 HG LEU A 83 16.270 9.128 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 83 18.720 9.268 -1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 83 18.229 8.226 -2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 83 18.819 9.876 -2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 83 17.314 11.179 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 83 17.361 11.856 -2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.797 11.530 -1.465 1.00 0.00 H new ATOM 1235 N ASN A 84 14.302 9.236 -5.696 1.00 0.00 N ATOM 1236 CA ASN A 84 13.917 9.227 -7.102 1.00 0.00 C ATOM 1237 C ASN A 84 12.742 8.297 -7.338 1.00 0.00 C ATOM 1238 O ASN A 84 12.078 8.377 -8.369 1.00 0.00 O ATOM 1239 CB ASN A 84 15.098 8.817 -7.991 1.00 0.00 C ATOM 1240 CG ASN A 84 15.609 7.420 -7.695 1.00 0.00 C ATOM 1241 OD1 ASN A 84 15.135 6.439 -8.267 1.00 0.00 O ATOM 1242 ND2 ASN A 84 16.589 7.318 -6.810 1.00 0.00 N ATOM 0 H ASN A 84 14.649 8.344 -5.344 1.00 0.00 H new ATOM 0 HA ASN A 84 13.616 10.240 -7.368 1.00 0.00 H new ATOM 0 HB2 ASN A 84 14.794 8.872 -9.036 1.00 0.00 H new ATOM 0 HB3 ASN A 84 15.911 9.531 -7.857 1.00 0.00 H new ATOM 0 HD21 ASN A 84 16.977 6.403 -6.582 1.00 0.00 H new ATOM 0 HD22 ASN A 84 16.956 8.155 -6.357 1.00 0.00 H new ATOM 1249 N ALA A 85 12.498 7.404 -6.395 1.00 0.00 N ATOM 1250 CA ALA A 85 11.367 6.500 -6.489 1.00 0.00 C ATOM 1251 C ALA A 85 10.890 6.071 -5.110 1.00 0.00 C ATOM 1252 O ALA A 85 11.677 5.988 -4.163 1.00 0.00 O ATOM 1253 CB ALA A 85 11.717 5.288 -7.334 1.00 0.00 C ATOM 0 H ALA A 85 13.067 7.286 -5.557 1.00 0.00 H new ATOM 0 HA ALA A 85 10.551 7.036 -6.975 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.855 4.623 -7.391 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.993 5.612 -8.338 1.00 0.00 H new ATOM 0 HB3 ALA A 85 12.554 4.758 -6.880 1.00 0.00 H new ATOM 1259 N VAL A 86 9.602 5.795 -5.005 1.00 0.00 N ATOM 1260 CA VAL A 86 9.019 5.333 -3.759 1.00 0.00 C ATOM 1261 C VAL A 86 8.312 4.000 -3.988 1.00 0.00 C ATOM 1262 O VAL A 86 7.696 3.786 -5.036 1.00 0.00 O ATOM 1263 CB VAL A 86 8.023 6.369 -3.178 1.00 0.00 C ATOM 1264 CG1 VAL A 86 6.800 6.531 -4.069 1.00 0.00 C ATOM 1265 CG2 VAL A 86 7.608 5.995 -1.763 1.00 0.00 C ATOM 0 H VAL A 86 8.937 5.884 -5.773 1.00 0.00 H new ATOM 0 HA VAL A 86 9.823 5.204 -3.035 1.00 0.00 H new ATOM 0 HB VAL A 86 8.539 7.329 -3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.124 7.265 -3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.112 6.870 -5.057 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.286 5.574 -4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.909 6.739 -1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.128 5.016 -1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.489 5.961 -1.122 1.00 0.00 H new ATOM 1275 N ARG A 87 8.423 3.093 -3.031 1.00 0.00 N ATOM 1276 CA ARG A 87 7.716 1.827 -3.118 1.00 0.00 C ATOM 1277 C ARG A 87 6.541 1.822 -2.156 1.00 0.00 C ATOM 1278 O ARG A 87 6.716 1.804 -0.937 1.00 0.00 O ATOM 1279 CB ARG A 87 8.650 0.645 -2.832 1.00 0.00 C ATOM 1280 CG ARG A 87 9.589 0.325 -3.984 1.00 0.00 C ATOM 1281 CD ARG A 87 10.418 -0.922 -3.709 1.00 0.00 C ATOM 1282 NE ARG A 87 11.097 -1.395 -4.918 1.00 0.00 N ATOM 1283 CZ ARG A 87 11.848 -2.496 -4.980 1.00 0.00 C ATOM 1284 NH1 ARG A 87 12.108 -3.195 -3.883 1.00 0.00 N ATOM 1285 NH2 ARG A 87 12.344 -2.894 -6.146 1.00 0.00 N ATOM 0 H ARG A 87 8.991 3.209 -2.192 1.00 0.00 H new ATOM 0 HA ARG A 87 7.343 1.714 -4.136 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.240 0.865 -1.942 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.050 -0.237 -2.607 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.010 0.182 -4.896 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.253 1.172 -4.157 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.157 -0.706 -2.937 1.00 0.00 H new ATOM 0 HD3 ARG A 87 9.773 -1.710 -3.321 1.00 0.00 H new ATOM 0 HE ARG A 87 10.988 -0.845 -5.770 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.733 -2.892 -2.984 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.683 -4.036 -3.938 1.00 0.00 H new ATOM 0 HH21 ARG A 87 12.151 -2.358 -6.992 1.00 0.00 H new ATOM 0 HH22 ARG A 87 12.918 -3.735 -6.195 1.00 0.00 H new ATOM 1299 N LEU A 88 5.344 1.841 -2.715 1.00 0.00 N ATOM 1300 CA LEU A 88 4.130 1.864 -1.924 1.00 0.00 C ATOM 1301 C LEU A 88 3.462 0.501 -1.957 1.00 0.00 C ATOM 1302 O LEU A 88 3.284 -0.086 -3.023 1.00 0.00 O ATOM 1303 CB LEU A 88 3.172 2.934 -2.458 1.00 0.00 C ATOM 1304 CG LEU A 88 3.730 4.358 -2.459 1.00 0.00 C ATOM 1305 CD1 LEU A 88 2.750 5.310 -3.122 1.00 0.00 C ATOM 1306 CD2 LEU A 88 4.033 4.809 -1.039 1.00 0.00 C ATOM 0 H LEU A 88 5.188 1.841 -3.723 1.00 0.00 H new ATOM 0 HA LEU A 88 4.386 2.106 -0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.888 2.670 -3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.262 2.917 -1.859 1.00 0.00 H new ATOM 0 HG LEU A 88 4.659 4.367 -3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.162 6.319 -3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.577 4.996 -4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.806 5.299 -2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.429 5.824 -1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.118 4.787 -0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.769 4.140 -0.594 1.00 0.00 H new ATOM 1318 N LEU A 89 3.122 -0.016 -0.793 1.00 0.00 N ATOM 1319 CA LEU A 89 2.427 -1.284 -0.710 1.00 0.00 C ATOM 1320 C LEU A 89 0.954 -1.042 -0.446 1.00 0.00 C ATOM 1321 O LEU A 89 0.589 -0.449 0.574 1.00 0.00 O ATOM 1322 CB LEU A 89 3.006 -2.146 0.406 1.00 0.00 C ATOM 1323 CG LEU A 89 2.428 -3.558 0.488 1.00 0.00 C ATOM 1324 CD1 LEU A 89 3.060 -4.463 -0.555 1.00 0.00 C ATOM 1325 CD2 LEU A 89 2.612 -4.128 1.877 1.00 0.00 C ATOM 0 H LEU A 89 3.316 0.422 0.107 1.00 0.00 H new ATOM 0 HA LEU A 89 2.552 -1.808 -1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.085 -2.217 0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.838 -1.644 1.359 1.00 0.00 H new ATOM 0 HG LEU A 89 1.359 -3.501 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.632 -5.463 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.866 -4.062 -1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.136 -4.515 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.194 -5.134 1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.675 -4.167 2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.100 -3.494 2.601 1.00 0.00 H new ATOM 1337 N VAL A 90 0.113 -1.480 -1.365 1.00 0.00 N ATOM 1338 CA VAL A 90 -1.323 -1.335 -1.205 1.00 0.00 C ATOM 1339 C VAL A 90 -2.032 -2.644 -1.510 1.00 0.00 C ATOM 1340 O VAL A 90 -1.517 -3.492 -2.242 1.00 0.00 O ATOM 1341 CB VAL A 90 -1.901 -0.218 -2.105 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -1.321 1.137 -1.730 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -1.641 -0.514 -3.575 1.00 0.00 C ATOM 0 H VAL A 90 0.399 -1.939 -2.230 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.496 -1.057 -0.165 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.979 -0.188 -1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.743 1.905 -2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.565 1.363 -0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.238 1.115 -1.851 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.057 0.287 -4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.567 -0.582 -3.748 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.112 -1.459 -3.845 1.00 0.00 H new ATOM 1353 N VAL A 91 -3.206 -2.808 -0.934 1.00 0.00 N ATOM 1354 CA VAL A 91 -3.996 -4.007 -1.134 1.00 0.00 C ATOM 1355 C VAL A 91 -5.473 -3.637 -1.256 1.00 0.00 C ATOM 1356 O VAL A 91 -5.928 -2.674 -0.637 1.00 0.00 O ATOM 1357 CB VAL A 91 -3.779 -5.007 0.031 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -4.166 -4.382 1.366 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -4.538 -6.305 -0.218 1.00 0.00 C ATOM 0 H VAL A 91 -3.637 -2.119 -0.318 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.675 -4.491 -2.056 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.717 -5.249 0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.004 -5.104 2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.553 -3.498 1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.217 -4.096 1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.370 -6.990 0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.604 -6.093 -0.303 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.184 -6.762 -1.142 1.00 0.00 H new ATOM 1369 N ASP A 92 -6.208 -4.370 -2.084 1.00 0.00 N ATOM 1370 CA ASP A 92 -7.632 -4.122 -2.255 1.00 0.00 C ATOM 1371 C ASP A 92 -8.394 -4.670 -1.055 1.00 0.00 C ATOM 1372 O ASP A 92 -8.096 -5.756 -0.562 1.00 0.00 O ATOM 1373 CB ASP A 92 -8.150 -4.757 -3.553 1.00 0.00 C ATOM 1374 CG ASP A 92 -8.186 -6.273 -3.502 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -7.145 -6.905 -3.771 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -9.260 -6.835 -3.195 1.00 0.00 O ATOM 0 H ASP A 92 -5.842 -5.139 -2.646 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.792 -3.046 -2.323 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.153 -4.383 -3.758 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -7.516 -4.442 -4.382 1.00 0.00 H new ATOM 1381 N PRO A 93 -9.388 -3.902 -0.573 1.00 0.00 N ATOM 1382 CA PRO A 93 -10.112 -4.192 0.674 1.00 0.00 C ATOM 1383 C PRO A 93 -10.775 -5.569 0.702 1.00 0.00 C ATOM 1384 O PRO A 93 -11.020 -6.116 1.776 1.00 0.00 O ATOM 1385 CB PRO A 93 -11.186 -3.097 0.743 1.00 0.00 C ATOM 1386 CG PRO A 93 -11.252 -2.510 -0.625 1.00 0.00 C ATOM 1387 CD PRO A 93 -9.879 -2.670 -1.210 1.00 0.00 C ATOM 0 HA PRO A 93 -9.422 -4.202 1.518 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.150 -3.512 1.038 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -10.926 -2.339 1.482 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.998 -3.022 -1.234 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.539 -1.459 -0.585 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.911 -2.762 -2.296 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.241 -1.816 -0.982 1.00 0.00 H new ATOM 1395 N GLU A 94 -11.095 -6.112 -0.467 1.00 0.00 N ATOM 1396 CA GLU A 94 -11.735 -7.420 -0.541 1.00 0.00 C ATOM 1397 C GLU A 94 -10.736 -8.524 -0.209 1.00 0.00 C ATOM 1398 O GLU A 94 -10.997 -9.374 0.645 1.00 0.00 O ATOM 1399 CB GLU A 94 -12.329 -7.644 -1.932 1.00 0.00 C ATOM 1400 CG GLU A 94 -13.281 -6.543 -2.367 1.00 0.00 C ATOM 1401 CD GLU A 94 -13.932 -6.824 -3.706 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -13.357 -6.444 -4.747 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -15.034 -7.408 -3.722 1.00 0.00 O ATOM 0 H GLU A 94 -10.923 -5.671 -1.370 1.00 0.00 H new ATOM 0 HA GLU A 94 -12.541 -7.451 0.192 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -11.519 -7.720 -2.657 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -12.858 -8.597 -1.944 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -14.056 -6.419 -1.610 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.737 -5.600 -2.423 1.00 0.00 H new ATOM 1410 N THR A 95 -9.584 -8.487 -0.865 1.00 0.00 N ATOM 1411 CA THR A 95 -8.518 -9.437 -0.586 1.00 0.00 C ATOM 1412 C THR A 95 -7.957 -9.200 0.803 1.00 0.00 C ATOM 1413 O THR A 95 -7.707 -10.133 1.567 1.00 0.00 O ATOM 1414 CB THR A 95 -7.367 -9.299 -1.590 1.00 0.00 C ATOM 1415 OG1 THR A 95 -7.844 -9.502 -2.920 1.00 0.00 O ATOM 1416 CG2 THR A 95 -6.259 -10.290 -1.274 1.00 0.00 C ATOM 0 H THR A 95 -9.365 -7.809 -1.594 1.00 0.00 H new ATOM 0 HA THR A 95 -8.948 -10.435 -0.663 1.00 0.00 H new ATOM 0 HB THR A 95 -6.961 -8.290 -1.511 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.564 -8.753 -3.486 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.452 -10.176 -1.998 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.877 -10.101 -0.271 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.653 -11.305 -1.326 1.00 0.00 H new ATOM 1424 N ASP A 96 -7.779 -7.933 1.117 1.00 0.00 N ATOM 1425 CA ASP A 96 -7.180 -7.521 2.370 1.00 0.00 C ATOM 1426 C ASP A 96 -7.960 -8.052 3.561 1.00 0.00 C ATOM 1427 O ASP A 96 -7.379 -8.618 4.485 1.00 0.00 O ATOM 1428 CB ASP A 96 -7.122 -5.996 2.415 1.00 0.00 C ATOM 1429 CG ASP A 96 -6.860 -5.452 3.797 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -5.742 -5.649 4.314 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -7.776 -4.812 4.365 1.00 0.00 O ATOM 0 H ASP A 96 -8.046 -7.159 0.509 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.173 -7.934 2.429 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -6.339 -5.649 1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.064 -5.592 2.045 1.00 0.00 H new ATOM 1436 N GLU A 97 -9.278 -7.923 3.505 1.00 0.00 N ATOM 1437 CA GLU A 97 -10.117 -8.319 4.618 1.00 0.00 C ATOM 1438 C GLU A 97 -10.051 -9.824 4.839 1.00 0.00 C ATOM 1439 O GLU A 97 -9.949 -10.284 5.976 1.00 0.00 O ATOM 1440 CB GLU A 97 -11.565 -7.888 4.389 1.00 0.00 C ATOM 1441 CG GLU A 97 -12.406 -7.942 5.653 1.00 0.00 C ATOM 1442 CD GLU A 97 -13.796 -7.383 5.458 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -13.924 -6.153 5.286 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -14.764 -8.168 5.479 1.00 0.00 O ATOM 0 H GLU A 97 -9.784 -7.548 2.703 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.741 -7.819 5.511 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.578 -6.872 3.993 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.014 -8.531 3.632 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -12.480 -8.976 5.991 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.903 -7.384 6.442 1.00 0.00 H new ATOM 1451 N GLN A 98 -10.101 -10.590 3.760 1.00 0.00 N ATOM 1452 CA GLN A 98 -10.076 -12.039 3.882 1.00 0.00 C ATOM 1453 C GLN A 98 -8.686 -12.532 4.287 1.00 0.00 C ATOM 1454 O GLN A 98 -8.563 -13.369 5.180 1.00 0.00 O ATOM 1455 CB GLN A 98 -10.547 -12.729 2.594 1.00 0.00 C ATOM 1456 CG GLN A 98 -9.676 -12.462 1.380 1.00 0.00 C ATOM 1457 CD GLN A 98 -10.022 -13.361 0.211 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -10.853 -13.024 -0.630 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -9.383 -14.518 0.153 1.00 0.00 N ATOM 0 H GLN A 98 -10.158 -10.239 2.804 1.00 0.00 H new ATOM 0 HA GLN A 98 -10.778 -12.308 4.671 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -10.587 -13.804 2.767 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -11.564 -12.404 2.374 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -9.787 -11.420 1.079 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -8.629 -12.606 1.648 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -8.700 -14.760 0.871 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -9.573 -15.168 -0.610 1.00 0.00 H new ATOM 1468 N LEU A 99 -7.639 -11.993 3.660 1.00 0.00 N ATOM 1469 CA LEU A 99 -6.282 -12.464 3.927 1.00 0.00 C ATOM 1470 C LEU A 99 -5.843 -12.124 5.353 1.00 0.00 C ATOM 1471 O LEU A 99 -5.216 -12.943 6.025 1.00 0.00 O ATOM 1472 CB LEU A 99 -5.267 -11.901 2.924 1.00 0.00 C ATOM 1473 CG LEU A 99 -5.419 -12.370 1.469 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -4.130 -12.116 0.706 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -5.792 -13.847 1.384 1.00 0.00 C ATOM 0 H LEU A 99 -7.703 -11.241 2.974 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.305 -13.548 3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.335 -10.813 2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.266 -12.164 3.266 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.231 -11.798 1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.245 -12.451 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.904 -11.050 0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.314 -12.665 1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.890 -14.138 0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.014 -14.447 1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.739 -14.013 1.897 1.00 0.00 H new ATOM 1487 N GLN A 100 -6.189 -10.930 5.829 1.00 0.00 N ATOM 1488 CA GLN A 100 -5.771 -10.505 7.166 1.00 0.00 C ATOM 1489 C GLN A 100 -6.403 -11.391 8.238 1.00 0.00 C ATOM 1490 O GLN A 100 -5.771 -11.700 9.248 1.00 0.00 O ATOM 1491 CB GLN A 100 -6.110 -9.031 7.439 1.00 0.00 C ATOM 1492 CG GLN A 100 -7.596 -8.740 7.577 1.00 0.00 C ATOM 1493 CD GLN A 100 -7.871 -7.441 8.313 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -8.865 -6.766 8.054 1.00 0.00 O ATOM 1495 NE2 GLN A 100 -7.007 -7.093 9.254 1.00 0.00 N ATOM 0 H GLN A 100 -6.749 -10.247 5.319 1.00 0.00 H new ATOM 0 HA GLN A 100 -4.687 -10.610 7.206 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.605 -8.719 8.353 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.707 -8.423 6.629 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.047 -8.694 6.586 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -8.076 -9.562 8.108 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -6.193 -7.679 9.441 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -7.155 -6.239 9.792 1.00 0.00 H new ATOM 1504 N LYS A 101 -7.644 -11.812 8.004 1.00 0.00 N ATOM 1505 CA LYS A 101 -8.357 -12.665 8.951 1.00 0.00 C ATOM 1506 C LYS A 101 -7.760 -14.068 8.975 1.00 0.00 C ATOM 1507 O LYS A 101 -7.956 -14.822 9.929 1.00 0.00 O ATOM 1508 CB LYS A 101 -9.846 -12.728 8.608 1.00 0.00 C ATOM 1509 CG LYS A 101 -10.567 -11.404 8.799 1.00 0.00 C ATOM 1510 CD LYS A 101 -12.036 -11.501 8.422 1.00 0.00 C ATOM 1511 CE LYS A 101 -12.749 -10.174 8.634 1.00 0.00 C ATOM 1512 NZ LYS A 101 -14.192 -10.252 8.285 1.00 0.00 N ATOM 0 H LYS A 101 -8.176 -11.576 7.167 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.248 -12.228 9.944 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.959 -13.049 7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.323 -13.486 9.230 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.479 -11.089 9.839 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.086 -10.637 8.192 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.127 -11.803 7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.517 -12.275 9.020 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.644 -9.869 9.675 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.271 -9.405 8.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.638 -9.326 8.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.293 -10.517 7.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.655 -10.967 8.881 1.00 0.00 H new ATOM 1526 N LEU A 102 -7.030 -14.407 7.918 1.00 0.00 N ATOM 1527 CA LEU A 102 -6.345 -15.688 7.830 1.00 0.00 C ATOM 1528 C LEU A 102 -5.023 -15.634 8.591 1.00 0.00 C ATOM 1529 O LEU A 102 -4.356 -16.653 8.776 1.00 0.00 O ATOM 1530 CB LEU A 102 -6.084 -16.047 6.362 1.00 0.00 C ATOM 1531 CG LEU A 102 -7.327 -16.134 5.473 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -6.927 -16.320 4.017 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -8.233 -17.270 5.925 1.00 0.00 C ATOM 0 H LEU A 102 -6.898 -13.806 7.105 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.980 -16.453 8.277 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -5.408 -15.304 5.939 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.566 -17.006 6.327 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.879 -15.199 5.564 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.823 -16.380 3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.320 -15.474 3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.352 -17.240 3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -9.110 -17.314 5.280 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.691 -18.214 5.865 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.548 -17.097 6.954 1.00 0.00 H new ATOM 1545 N GLY A 103 -4.654 -14.437 9.033 1.00 0.00 N ATOM 1546 CA GLY A 103 -3.401 -14.252 9.739 1.00 0.00 C ATOM 1547 C GLY A 103 -2.261 -13.931 8.799 1.00 0.00 C ATOM 1548 O GLY A 103 -1.096 -14.167 9.111 1.00 0.00 O ATOM 0 H GLY A 103 -5.205 -13.587 8.914 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.510 -13.446 10.465 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -3.164 -15.156 10.300 1.00 0.00 H new ATOM 1552 N VAL A 104 -2.602 -13.389 7.643 1.00 0.00 N ATOM 1553 CA VAL A 104 -1.614 -13.070 6.625 1.00 0.00 C ATOM 1554 C VAL A 104 -1.072 -11.654 6.808 1.00 0.00 C ATOM 1555 O VAL A 104 -1.838 -10.694 6.921 1.00 0.00 O ATOM 1556 CB VAL A 104 -2.216 -13.214 5.213 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -1.214 -12.796 4.150 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -2.685 -14.644 4.984 1.00 0.00 C ATOM 0 H VAL A 104 -3.561 -13.159 7.384 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.792 -13.777 6.735 1.00 0.00 H new ATOM 0 HB VAL A 104 -3.078 -12.551 5.137 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.663 -12.907 3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.932 -11.755 4.305 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.327 -13.426 4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.108 -14.732 3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.839 -15.324 5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -3.444 -14.901 5.723 1.00 0.00 H new ATOM 1568 N GLN A 105 0.248 -11.530 6.841 1.00 0.00 N ATOM 1569 CA GLN A 105 0.889 -10.229 6.980 1.00 0.00 C ATOM 1570 C GLN A 105 1.286 -9.696 5.605 1.00 0.00 C ATOM 1571 O GLN A 105 2.433 -9.831 5.179 1.00 0.00 O ATOM 1572 CB GLN A 105 2.117 -10.328 7.887 1.00 0.00 C ATOM 1573 CG GLN A 105 1.837 -11.003 9.220 1.00 0.00 C ATOM 1574 CD GLN A 105 3.048 -11.024 10.128 1.00 0.00 C ATOM 1575 OE1 GLN A 105 3.241 -10.121 10.948 1.00 0.00 O ATOM 1576 NE2 GLN A 105 3.880 -12.041 9.979 1.00 0.00 N ATOM 0 H GLN A 105 0.896 -12.315 6.773 1.00 0.00 H new ATOM 0 HA GLN A 105 0.182 -9.538 7.438 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.899 -10.881 7.367 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.504 -9.326 8.071 1.00 0.00 H new ATOM 0 HG2 GLN A 105 1.020 -10.484 9.722 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.503 -12.025 9.042 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.681 -12.765 9.289 1.00 0.00 H new ATOM 0 HE22 GLN A 105 4.720 -12.101 10.554 1.00 0.00 H new ATOM 1585 N VAL A 106 0.332 -9.066 4.926 1.00 0.00 N ATOM 1586 CA VAL A 106 0.513 -8.619 3.542 1.00 0.00 C ATOM 1587 C VAL A 106 1.677 -7.636 3.373 1.00 0.00 C ATOM 1588 O VAL A 106 2.117 -7.397 2.253 1.00 0.00 O ATOM 1589 CB VAL A 106 -0.774 -7.987 2.957 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -1.943 -8.959 3.051 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -1.109 -6.666 3.636 1.00 0.00 C ATOM 0 H VAL A 106 -0.586 -8.850 5.315 1.00 0.00 H new ATOM 0 HA VAL A 106 0.751 -9.526 2.986 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.588 -7.775 1.904 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.837 -8.495 2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.710 -9.864 2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.120 -9.215 4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -2.018 -6.253 3.199 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -1.262 -6.834 4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.287 -5.965 3.494 1.00 0.00 H new ATOM 1601 N ARG A 107 2.179 -7.084 4.482 1.00 0.00 N ATOM 1602 CA ARG A 107 3.173 -6.009 4.432 1.00 0.00 C ATOM 1603 C ARG A 107 4.455 -6.412 3.690 1.00 0.00 C ATOM 1604 O ARG A 107 5.144 -5.554 3.148 1.00 0.00 O ATOM 1605 CB ARG A 107 3.488 -5.497 5.847 1.00 0.00 C ATOM 1606 CG ARG A 107 4.048 -6.534 6.816 1.00 0.00 C ATOM 1607 CD ARG A 107 5.554 -6.707 6.669 1.00 0.00 C ATOM 1608 NE ARG A 107 6.254 -5.424 6.679 1.00 0.00 N ATOM 1609 CZ ARG A 107 7.104 -5.036 7.628 1.00 0.00 C ATOM 1610 NH1 ARG A 107 7.354 -5.812 8.673 1.00 0.00 N ATOM 1611 NH2 ARG A 107 7.696 -3.855 7.528 1.00 0.00 N ATOM 0 H ARG A 107 1.913 -7.365 5.426 1.00 0.00 H new ATOM 0 HA ARG A 107 2.730 -5.197 3.855 1.00 0.00 H new ATOM 0 HB2 ARG A 107 4.203 -4.678 5.766 1.00 0.00 H new ATOM 0 HB3 ARG A 107 2.575 -5.082 6.275 1.00 0.00 H new ATOM 0 HG2 ARG A 107 3.817 -6.235 7.838 1.00 0.00 H new ATOM 0 HG3 ARG A 107 3.556 -7.491 6.645 1.00 0.00 H new ATOM 0 HD2 ARG A 107 5.929 -7.331 7.480 1.00 0.00 H new ATOM 0 HD3 ARG A 107 5.770 -7.231 5.738 1.00 0.00 H new ATOM 0 HE ARG A 107 6.080 -4.782 5.906 1.00 0.00 H new ATOM 0 HH11 ARG A 107 6.893 -6.718 8.757 1.00 0.00 H new ATOM 0 HH12 ARG A 107 8.007 -5.503 9.393 1.00 0.00 H new ATOM 0 HH21 ARG A 107 7.499 -3.252 6.729 1.00 0.00 H new ATOM 0 HH22 ARG A 107 8.349 -3.549 8.250 1.00 0.00 H new ATOM 1625 N GLU A 108 4.764 -7.708 3.655 1.00 0.00 N ATOM 1626 CA GLU A 108 5.917 -8.201 2.889 1.00 0.00 C ATOM 1627 C GLU A 108 6.022 -9.722 2.979 1.00 0.00 C ATOM 1628 O GLU A 108 6.738 -10.353 2.198 1.00 0.00 O ATOM 1629 CB GLU A 108 7.231 -7.568 3.373 1.00 0.00 C ATOM 1630 CG GLU A 108 8.400 -7.818 2.428 1.00 0.00 C ATOM 1631 CD GLU A 108 9.707 -7.245 2.932 1.00 0.00 C ATOM 1632 OE1 GLU A 108 10.012 -6.077 2.615 1.00 0.00 O ATOM 1633 OE2 GLU A 108 10.448 -7.972 3.632 1.00 0.00 O ATOM 0 H GLU A 108 4.239 -8.434 4.143 1.00 0.00 H new ATOM 0 HA GLU A 108 5.756 -7.913 1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 108 7.089 -6.494 3.488 1.00 0.00 H new ATOM 0 HB3 GLU A 108 7.477 -7.965 4.358 1.00 0.00 H new ATOM 0 HG2 GLU A 108 8.515 -8.892 2.279 1.00 0.00 H new ATOM 0 HG3 GLU A 108 8.171 -7.384 1.455 1.00 0.00 H new ATOM 1640 N GLU A 109 5.285 -10.308 3.918 1.00 0.00 N ATOM 1641 CA GLU A 109 5.314 -11.750 4.152 1.00 0.00 C ATOM 1642 C GLU A 109 5.005 -12.515 2.865 1.00 0.00 C ATOM 1643 O GLU A 109 5.616 -13.544 2.578 1.00 0.00 O ATOM 1644 CB GLU A 109 4.300 -12.092 5.254 1.00 0.00 C ATOM 1645 CG GLU A 109 4.206 -13.562 5.618 1.00 0.00 C ATOM 1646 CD GLU A 109 3.217 -13.801 6.745 1.00 0.00 C ATOM 1647 OE1 GLU A 109 2.002 -13.879 6.472 1.00 0.00 O ATOM 1648 OE2 GLU A 109 3.647 -13.888 7.916 1.00 0.00 O ATOM 0 H GLU A 109 4.653 -9.800 4.536 1.00 0.00 H new ATOM 0 HA GLU A 109 6.312 -12.048 4.474 1.00 0.00 H new ATOM 0 HB2 GLU A 109 4.560 -11.529 6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.315 -11.750 4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 109 3.904 -14.135 4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.190 -13.927 5.914 1.00 0.00 H new ATOM 1655 N LEU A 110 4.080 -11.984 2.076 1.00 0.00 N ATOM 1656 CA LEU A 110 3.700 -12.611 0.817 1.00 0.00 C ATOM 1657 C LEU A 110 4.711 -12.315 -0.279 1.00 0.00 C ATOM 1658 O LEU A 110 5.063 -13.193 -1.060 1.00 0.00 O ATOM 1659 CB LEU A 110 2.321 -12.125 0.378 1.00 0.00 C ATOM 1660 CG LEU A 110 1.217 -12.351 1.396 1.00 0.00 C ATOM 1661 CD1 LEU A 110 -0.132 -11.948 0.825 1.00 0.00 C ATOM 1662 CD2 LEU A 110 1.211 -13.803 1.844 1.00 0.00 C ATOM 0 H LEU A 110 3.579 -11.121 2.286 1.00 0.00 H new ATOM 0 HA LEU A 110 3.674 -13.688 0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 110 2.380 -11.060 0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.051 -12.630 -0.550 1.00 0.00 H new ATOM 0 HG LEU A 110 1.408 -11.724 2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -0.908 -12.118 1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.112 -10.892 0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.344 -12.544 -0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.416 -13.955 2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.041 -14.449 0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.172 -14.048 2.297 1.00 0.00 H new ATOM 1674 N LEU A 111 5.196 -11.082 -0.309 1.00 0.00 N ATOM 1675 CA LEU A 111 6.081 -10.625 -1.379 1.00 0.00 C ATOM 1676 C LEU A 111 7.414 -11.352 -1.334 1.00 0.00 C ATOM 1677 O LEU A 111 8.093 -11.494 -2.350 1.00 0.00 O ATOM 1678 CB LEU A 111 6.316 -9.116 -1.283 1.00 0.00 C ATOM 1679 CG LEU A 111 5.129 -8.227 -1.656 1.00 0.00 C ATOM 1680 CD1 LEU A 111 4.035 -8.289 -0.600 1.00 0.00 C ATOM 1681 CD2 LEU A 111 5.597 -6.800 -1.852 1.00 0.00 C ATOM 0 H LEU A 111 4.992 -10.375 0.397 1.00 0.00 H new ATOM 0 HA LEU A 111 5.592 -10.849 -2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.615 -8.879 -0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 111 7.155 -8.857 -1.929 1.00 0.00 H new ATOM 0 HG LEU A 111 4.706 -8.597 -2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 111 3.206 -7.646 -0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.681 -9.315 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.433 -7.950 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.747 -6.172 -2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 111 6.044 -6.434 -0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.337 -6.766 -2.652 1.00 0.00 H new