USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 757 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 60 SER OG : rot -119:sc= 1.25 USER MOD Set 1.2: A 62 ASN : amide:sc= 1.05 K(o=2.3,f=0.031) USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= -1.04 USER MOD Set 2.2: A 40 SER OG : rot 180:sc= 0.0387 USER MOD Set 3.1: A 4 THR OG1 : rot -144:sc= 0.118 USER MOD Set 3.2: A 7 GLN : amide:sc=-0.00131 X(o=0.12,f=0.016) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -25:sc= 0.304 USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN :FLIP amide:sc= -2.37! C(o=-3.6!,f=-2.4!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.514 X(o=-0.51,f=-0.23) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -132:sc= -0.16 (180deg=-1.83!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 9:sc= 0.588! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= -5.39! USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -140:sc= -3.14! (180deg=-8.04!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -85:sc= 0.629 USER MOD Single : A 58 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0426) USER MOD Single : A 59 MET CE :methyl 175:sc= 0 (180deg=-0.0135) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 88:sc= -0.847 USER MOD Single : A 69 SER OG : rot 180:sc= -1.16 USER MOD Single : A 74 THR OG1 : rot -140:sc= -1.01 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.0197 X(o=0.02,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN :FLIP amide:sc= -1.61 F(o=-2.8!,f=-1.6) USER MOD Single : A 86 THR OG1 : rot 69:sc= 0.587 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -8.549 -14.287 -9.447 1.00 0.00 N ATOM 2 CA GLY A -1 -9.036 -12.947 -9.727 1.00 0.00 C ATOM 3 C GLY A -1 -9.919 -12.436 -8.586 1.00 0.00 C ATOM 4 O GLY A -1 -11.116 -12.715 -8.549 1.00 0.00 O ATOM 0 H1 GLY A -1 -7.953 -14.611 -10.235 1.00 0.00 H new ATOM 0 H2 GLY A -1 -7.989 -14.277 -8.571 1.00 0.00 H new ATOM 0 H3 GLY A -1 -9.356 -14.933 -9.335 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -8.192 -12.272 -9.869 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -9.603 -12.949 -10.658 1.00 0.00 H new ATOM 8 N PRO A 0 -9.276 -11.676 -7.659 1.00 0.00 N ATOM 9 CA PRO A 0 -9.989 -11.123 -6.520 1.00 0.00 C ATOM 10 C PRO A 0 -10.858 -9.936 -6.941 1.00 0.00 C ATOM 11 O PRO A 0 -11.160 -9.771 -8.122 1.00 0.00 O ATOM 12 CB PRO A 0 -8.906 -10.742 -5.525 1.00 0.00 C ATOM 13 CG PRO A 0 -7.615 -10.664 -6.323 1.00 0.00 C ATOM 14 CD PRO A 0 -7.859 -11.325 -7.670 1.00 0.00 C ATOM 0 HA PRO A 0 -10.687 -11.833 -6.076 1.00 0.00 H new ATOM 0 HB2 PRO A 0 -9.130 -9.787 -5.051 1.00 0.00 H new ATOM 0 HB3 PRO A 0 -8.829 -11.483 -4.729 1.00 0.00 H new ATOM 0 HG2 PRO A 0 -7.311 -9.626 -6.457 1.00 0.00 H new ATOM 0 HG3 PRO A 0 -6.807 -11.167 -5.792 1.00 0.00 H new ATOM 0 HD2 PRO A 0 -7.625 -10.648 -8.492 1.00 0.00 H new ATOM 0 HD3 PRO A 0 -7.233 -12.208 -7.797 1.00 0.00 H new ATOM 22 N MET A 1 -11.236 -9.139 -5.952 1.00 0.00 N ATOM 23 CA MET A 1 -12.064 -7.972 -6.205 1.00 0.00 C ATOM 24 C MET A 1 -11.311 -6.937 -7.043 1.00 0.00 C ATOM 25 O MET A 1 -11.906 -6.257 -7.878 1.00 0.00 O ATOM 26 CB MET A 1 -12.482 -7.345 -4.874 1.00 0.00 C ATOM 27 CG MET A 1 -13.646 -8.115 -4.247 1.00 0.00 C ATOM 28 SD MET A 1 -15.196 -7.526 -4.910 1.00 0.00 S ATOM 29 CE MET A 1 -15.608 -6.294 -3.685 1.00 0.00 C ATOM 0 H MET A 1 -10.984 -9.279 -4.974 1.00 0.00 H new ATOM 0 HA MET A 1 -12.947 -8.289 -6.761 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.634 -7.339 -4.189 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.772 -6.306 -5.032 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.537 -9.181 -4.447 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.634 -7.991 -3.164 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.556 -5.823 -3.947 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.696 -6.768 -2.707 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.824 -5.537 -3.652 1.00 0.00 H new ATOM 39 N GLU A 2 -10.013 -6.850 -6.792 1.00 0.00 N ATOM 40 CA GLU A 2 -9.172 -5.909 -7.513 1.00 0.00 C ATOM 41 C GLU A 2 -9.702 -4.484 -7.340 1.00 0.00 C ATOM 42 O GLU A 2 -10.802 -4.168 -7.791 1.00 0.00 O ATOM 43 CB GLU A 2 -9.076 -6.283 -8.994 1.00 0.00 C ATOM 44 CG GLU A 2 -8.565 -7.714 -9.166 1.00 0.00 C ATOM 45 CD GLU A 2 -9.547 -8.553 -9.987 1.00 0.00 C ATOM 46 OE1 GLU A 2 -10.751 -8.222 -9.941 1.00 0.00 O ATOM 47 OE2 GLU A 2 -9.071 -9.505 -10.642 1.00 0.00 O ATOM 0 H GLU A 2 -9.523 -7.416 -6.099 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.166 -5.955 -7.095 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.055 -6.184 -9.462 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.407 -5.590 -9.505 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.593 -7.700 -9.659 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.420 -8.172 -8.188 1.00 0.00 H new ATOM 54 N PHE A 3 -8.894 -3.662 -6.686 1.00 0.00 N ATOM 55 CA PHE A 3 -9.268 -2.279 -6.448 1.00 0.00 C ATOM 56 C PHE A 3 -8.411 -1.328 -7.286 1.00 0.00 C ATOM 57 O PHE A 3 -7.185 -1.429 -7.288 1.00 0.00 O ATOM 58 CB PHE A 3 -9.019 -1.997 -4.965 1.00 0.00 C ATOM 59 CG PHE A 3 -9.940 -2.773 -4.021 1.00 0.00 C ATOM 60 CD1 PHE A 3 -9.870 -4.130 -3.967 1.00 0.00 C ATOM 61 CD2 PHE A 3 -10.828 -2.106 -3.237 1.00 0.00 C ATOM 62 CE1 PHE A 3 -10.724 -4.851 -3.091 1.00 0.00 C ATOM 63 CE2 PHE A 3 -11.683 -2.827 -2.361 1.00 0.00 C ATOM 64 CZ PHE A 3 -11.613 -4.184 -2.306 1.00 0.00 C ATOM 0 H PHE A 3 -7.982 -3.928 -6.314 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.311 -2.123 -6.722 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.984 -2.241 -4.728 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -9.144 -0.930 -4.783 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -9.165 -4.659 -4.590 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -10.883 -1.028 -3.280 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.668 -5.929 -3.048 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -12.389 -2.297 -1.738 1.00 0.00 H new ATOM 0 HZ PHE A 3 -12.263 -4.732 -1.640 1.00 0.00 H new ATOM 74 N THR A 4 -9.090 -0.425 -7.979 1.00 0.00 N ATOM 75 CA THR A 4 -8.407 0.543 -8.819 1.00 0.00 C ATOM 76 C THR A 4 -7.881 1.705 -7.974 1.00 0.00 C ATOM 77 O THR A 4 -8.370 1.947 -6.872 1.00 0.00 O ATOM 78 CB THR A 4 -9.375 0.981 -9.919 1.00 0.00 C ATOM 79 OG1 THR A 4 -10.379 1.717 -9.226 1.00 0.00 O ATOM 80 CG2 THR A 4 -10.134 -0.196 -10.535 1.00 0.00 C ATOM 0 H THR A 4 -10.107 -0.344 -7.975 1.00 0.00 H new ATOM 0 HA THR A 4 -7.529 0.105 -9.294 1.00 0.00 H new ATOM 0 HB THR A 4 -8.823 1.505 -10.699 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.252 1.548 -9.639 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.807 0.171 -11.310 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.424 -0.897 -10.973 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.712 -0.701 -9.761 1.00 0.00 H new ATOM 88 N ALA A 5 -6.891 2.394 -8.524 1.00 0.00 N ATOM 89 CA ALA A 5 -6.293 3.525 -7.834 1.00 0.00 C ATOM 90 C ALA A 5 -7.393 4.505 -7.424 1.00 0.00 C ATOM 91 O ALA A 5 -7.243 5.240 -6.449 1.00 0.00 O ATOM 92 CB ALA A 5 -5.240 4.174 -8.735 1.00 0.00 C ATOM 0 H ALA A 5 -6.488 2.191 -9.439 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.787 3.197 -6.926 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.791 5.022 -8.218 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.466 3.444 -8.974 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.711 4.518 -9.656 1.00 0.00 H new ATOM 98 N GLU A 6 -8.476 4.485 -8.188 1.00 0.00 N ATOM 99 CA GLU A 6 -9.601 5.363 -7.915 1.00 0.00 C ATOM 100 C GLU A 6 -10.358 4.887 -6.675 1.00 0.00 C ATOM 101 O GLU A 6 -10.673 5.682 -5.791 1.00 0.00 O ATOM 102 CB GLU A 6 -10.532 5.453 -9.126 1.00 0.00 C ATOM 103 CG GLU A 6 -10.465 6.839 -9.769 1.00 0.00 C ATOM 104 CD GLU A 6 -11.106 6.832 -11.158 1.00 0.00 C ATOM 105 OE1 GLU A 6 -12.351 6.927 -11.209 1.00 0.00 O ATOM 106 OE2 GLU A 6 -10.336 6.731 -12.138 1.00 0.00 O ATOM 0 H GLU A 6 -8.598 3.874 -8.996 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.216 6.364 -7.719 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.255 4.695 -9.859 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.556 5.240 -8.818 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.974 7.563 -9.133 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.426 7.158 -9.846 1.00 0.00 H new ATOM 113 N GLN A 7 -10.629 3.590 -6.648 1.00 0.00 N ATOM 114 CA GLN A 7 -11.344 2.998 -5.530 1.00 0.00 C ATOM 115 C GLN A 7 -10.430 2.901 -4.307 1.00 0.00 C ATOM 116 O GLN A 7 -10.854 3.182 -3.187 1.00 0.00 O ATOM 117 CB GLN A 7 -11.905 1.624 -5.904 1.00 0.00 C ATOM 118 CG GLN A 7 -13.344 1.740 -6.411 1.00 0.00 C ATOM 119 CD GLN A 7 -13.391 1.700 -7.940 1.00 0.00 C ATOM 120 OE1 GLN A 7 -13.094 2.667 -8.622 1.00 0.00 O ATOM 121 NE2 GLN A 7 -13.781 0.531 -8.439 1.00 0.00 N ATOM 0 H GLN A 7 -10.366 2.933 -7.382 1.00 0.00 H new ATOM 0 HA GLN A 7 -12.186 3.643 -5.280 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -11.280 1.169 -6.673 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -11.873 0.965 -5.036 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -13.944 0.926 -6.004 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -13.785 2.671 -6.054 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -14.015 -0.239 -7.812 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -13.846 0.404 -9.449 1.00 0.00 H new ATOM 130 N LEU A 8 -9.192 2.504 -4.563 1.00 0.00 N ATOM 131 CA LEU A 8 -8.214 2.368 -3.496 1.00 0.00 C ATOM 132 C LEU A 8 -8.051 3.712 -2.785 1.00 0.00 C ATOM 133 O LEU A 8 -7.841 3.756 -1.573 1.00 0.00 O ATOM 134 CB LEU A 8 -6.903 1.797 -4.041 1.00 0.00 C ATOM 135 CG LEU A 8 -5.657 2.048 -3.189 1.00 0.00 C ATOM 136 CD1 LEU A 8 -5.440 0.912 -2.188 1.00 0.00 C ATOM 137 CD2 LEU A 8 -4.428 2.278 -4.070 1.00 0.00 C ATOM 0 H LEU A 8 -8.844 2.272 -5.493 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.561 1.653 -2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.023 0.721 -4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.731 2.216 -5.032 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.815 2.959 -2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.548 1.115 -1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.305 0.838 -1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.312 -0.027 -2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.556 2.454 -3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.256 1.399 -4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.595 3.146 -4.708 1.00 0.00 H new ATOM 149 N SER A 9 -8.154 4.776 -3.567 1.00 0.00 N ATOM 150 CA SER A 9 -8.020 6.118 -3.027 1.00 0.00 C ATOM 151 C SER A 9 -9.226 6.450 -2.145 1.00 0.00 C ATOM 152 O SER A 9 -9.251 7.489 -1.488 1.00 0.00 O ATOM 153 CB SER A 9 -7.882 7.151 -4.147 1.00 0.00 C ATOM 154 OG SER A 9 -7.606 8.454 -3.640 1.00 0.00 O ATOM 0 H SER A 9 -8.329 4.736 -4.571 1.00 0.00 H new ATOM 0 HA SER A 9 -7.114 6.154 -2.422 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.082 6.848 -4.823 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.801 7.177 -4.732 1.00 0.00 H new ATOM 0 HG SER A 9 -7.942 8.526 -2.722 1.00 0.00 H new ATOM 160 N GLN A 10 -10.196 5.547 -2.160 1.00 0.00 N ATOM 161 CA GLN A 10 -11.401 5.731 -1.370 1.00 0.00 C ATOM 162 C GLN A 10 -11.355 4.850 -0.120 1.00 0.00 C ATOM 163 O GLN A 10 -12.382 4.616 0.517 1.00 0.00 O ATOM 164 CB GLN A 10 -12.652 5.438 -2.201 1.00 0.00 C ATOM 165 CG GLN A 10 -12.382 5.653 -3.692 1.00 0.00 C ATOM 166 CD GLN A 10 -13.640 5.387 -4.521 1.00 0.00 C ATOM 167 OE1 GLN A 10 -14.210 4.211 -4.276 1.00 0.00 O flip ATOM 168 NE2 GLN A 10 -14.064 6.196 -5.330 1.00 0.00 N flip ATOM 0 H GLN A 10 -10.172 4.686 -2.707 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.450 6.773 -1.055 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.974 4.411 -2.030 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.467 6.085 -1.878 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -12.041 6.675 -3.860 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -11.580 4.991 -4.019 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -13.577 7.081 -5.469 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -14.905 5.987 -5.867 1.00 0.00 H new ATOM 177 N TYR A 11 -10.155 4.386 0.195 1.00 0.00 N ATOM 178 CA TYR A 11 -9.962 3.536 1.358 1.00 0.00 C ATOM 179 C TYR A 11 -8.657 3.880 2.078 1.00 0.00 C ATOM 180 O TYR A 11 -7.798 3.018 2.259 1.00 0.00 O ATOM 181 CB TYR A 11 -9.874 2.105 0.824 1.00 0.00 C ATOM 182 CG TYR A 11 -11.144 1.624 0.119 1.00 0.00 C ATOM 183 CD1 TYR A 11 -12.345 1.600 0.800 1.00 0.00 C ATOM 184 CD2 TYR A 11 -11.090 1.214 -1.197 1.00 0.00 C ATOM 185 CE1 TYR A 11 -13.540 1.148 0.137 1.00 0.00 C ATOM 186 CE2 TYR A 11 -12.285 0.761 -1.861 1.00 0.00 C ATOM 187 CZ TYR A 11 -13.452 0.751 -1.161 1.00 0.00 C ATOM 188 OH TYR A 11 -14.581 0.324 -1.787 1.00 0.00 O ATOM 0 H TYR A 11 -9.306 4.583 -0.335 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.777 3.668 2.069 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -9.037 2.039 0.128 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.654 1.432 1.653 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -12.388 1.920 1.830 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.151 1.233 -1.730 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -14.485 1.125 0.659 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -12.256 0.437 -2.891 1.00 0.00 H new ATOM 0 HH TYR A 11 -14.368 0.073 -2.710 1.00 0.00 H new ATOM 198 N ASN A 12 -8.549 5.141 2.469 1.00 0.00 N ATOM 199 CA ASN A 12 -7.363 5.610 3.166 1.00 0.00 C ATOM 200 C ASN A 12 -7.690 5.799 4.649 1.00 0.00 C ATOM 201 O ASN A 12 -6.852 6.268 5.417 1.00 0.00 O ATOM 202 CB ASN A 12 -6.894 6.955 2.609 1.00 0.00 C ATOM 203 CG ASN A 12 -7.490 8.117 3.407 1.00 0.00 C ATOM 204 OD1 ASN A 12 -6.817 8.790 4.170 1.00 0.00 O ATOM 205 ND2 ASN A 12 -8.787 8.313 3.189 1.00 0.00 N ATOM 0 H ASN A 12 -9.263 5.853 2.316 1.00 0.00 H new ATOM 0 HA ASN A 12 -6.575 4.869 3.029 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.806 7.007 2.642 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -7.185 7.041 1.562 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -9.278 9.064 3.674 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -9.291 7.712 2.537 1.00 0.00 H new ATOM 212 N GLY A 13 -8.910 5.425 5.006 1.00 0.00 N ATOM 213 CA GLY A 13 -9.357 5.548 6.383 1.00 0.00 C ATOM 214 C GLY A 13 -9.692 7.002 6.723 1.00 0.00 C ATOM 215 O GLY A 13 -8.805 7.785 7.060 1.00 0.00 O ATOM 0 H GLY A 13 -9.603 5.037 4.366 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.235 4.922 6.541 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.580 5.183 7.055 1.00 0.00 H new ATOM 219 N THR A 14 -10.975 7.319 6.622 1.00 0.00 N ATOM 220 CA THR A 14 -11.438 8.665 6.915 1.00 0.00 C ATOM 221 C THR A 14 -12.945 8.774 6.676 1.00 0.00 C ATOM 222 O THR A 14 -13.648 9.456 7.420 1.00 0.00 O ATOM 223 CB THR A 14 -10.616 9.641 6.071 1.00 0.00 C ATOM 224 OG1 THR A 14 -10.256 10.673 6.987 1.00 0.00 O ATOM 225 CG2 THR A 14 -11.461 10.358 5.016 1.00 0.00 C ATOM 0 H THR A 14 -11.708 6.667 6.342 1.00 0.00 H new ATOM 0 HA THR A 14 -11.289 8.916 7.965 1.00 0.00 H new ATOM 0 HB THR A 14 -9.804 9.103 5.582 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.719 11.349 6.524 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.829 11.039 4.445 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.904 9.623 4.343 1.00 0.00 H new ATOM 0 HG23 THR A 14 -12.253 10.924 5.507 1.00 0.00 H new ATOM 233 N ASP A 15 -13.397 8.091 5.634 1.00 0.00 N ATOM 234 CA ASP A 15 -14.808 8.103 5.287 1.00 0.00 C ATOM 235 C ASP A 15 -15.616 7.496 6.436 1.00 0.00 C ATOM 236 O ASP A 15 -15.089 7.287 7.527 1.00 0.00 O ATOM 237 CB ASP A 15 -15.073 7.271 4.031 1.00 0.00 C ATOM 238 CG ASP A 15 -15.573 8.065 2.822 1.00 0.00 C ATOM 239 OD1 ASP A 15 -14.796 8.920 2.345 1.00 0.00 O ATOM 240 OD2 ASP A 15 -16.720 7.799 2.403 1.00 0.00 O ATOM 0 H ASP A 15 -12.811 7.526 5.019 1.00 0.00 H new ATOM 0 HA ASP A 15 -15.102 9.136 5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.153 6.757 3.753 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.808 6.503 4.271 1.00 0.00 H new ATOM 245 N GLU A 16 -16.883 7.231 6.150 1.00 0.00 N ATOM 246 CA GLU A 16 -17.769 6.652 7.146 1.00 0.00 C ATOM 247 C GLU A 16 -17.149 5.383 7.734 1.00 0.00 C ATOM 248 O GLU A 16 -16.436 5.441 8.734 1.00 0.00 O ATOM 249 CB GLU A 16 -19.148 6.364 6.551 1.00 0.00 C ATOM 250 CG GLU A 16 -19.985 7.642 6.463 1.00 0.00 C ATOM 251 CD GLU A 16 -21.275 7.400 5.677 1.00 0.00 C ATOM 252 OE1 GLU A 16 -21.274 6.451 4.863 1.00 0.00 O ATOM 253 OE2 GLU A 16 -22.234 8.168 5.909 1.00 0.00 O ATOM 0 H GLU A 16 -17.317 7.406 5.244 1.00 0.00 H new ATOM 0 HA GLU A 16 -17.901 7.375 7.951 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.036 5.929 5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.666 5.627 7.165 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -20.227 7.992 7.466 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.404 8.429 5.982 1.00 0.00 H new ATOM 260 N SER A 17 -17.444 4.264 7.087 1.00 0.00 N ATOM 261 CA SER A 17 -16.926 2.983 7.534 1.00 0.00 C ATOM 262 C SER A 17 -16.059 2.359 6.438 1.00 0.00 C ATOM 263 O SER A 17 -15.881 1.142 6.400 1.00 0.00 O ATOM 264 CB SER A 17 -18.061 2.032 7.918 1.00 0.00 C ATOM 265 OG SER A 17 -17.941 1.572 9.261 1.00 0.00 O ATOM 0 H SER A 17 -18.035 4.219 6.257 1.00 0.00 H new ATOM 0 HA SER A 17 -16.315 3.152 8.421 1.00 0.00 H new ATOM 0 HB2 SER A 17 -19.017 2.540 7.793 1.00 0.00 H new ATOM 0 HB3 SER A 17 -18.063 1.178 7.241 1.00 0.00 H new ATOM 0 HG SER A 17 -18.685 0.969 9.468 1.00 0.00 H new ATOM 271 N LYS A 18 -15.542 3.220 5.574 1.00 0.00 N ATOM 272 CA LYS A 18 -14.698 2.769 4.481 1.00 0.00 C ATOM 273 C LYS A 18 -13.452 2.089 5.052 1.00 0.00 C ATOM 274 O LYS A 18 -12.825 2.607 5.974 1.00 0.00 O ATOM 275 CB LYS A 18 -14.386 3.928 3.532 1.00 0.00 C ATOM 276 CG LYS A 18 -15.018 3.697 2.158 1.00 0.00 C ATOM 277 CD LYS A 18 -16.533 3.514 2.275 1.00 0.00 C ATOM 278 CE LYS A 18 -17.064 2.606 1.164 1.00 0.00 C ATOM 279 NZ LYS A 18 -17.793 3.400 0.150 1.00 0.00 N ATOM 0 H LYS A 18 -15.692 4.228 5.609 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.220 2.025 3.878 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.759 4.860 3.956 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.306 4.036 3.426 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -14.800 4.543 1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.576 2.815 1.694 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.777 3.086 3.247 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -17.025 4.485 2.222 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.236 2.076 0.693 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.726 1.851 1.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.147 2.769 -0.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -18.594 3.886 0.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.151 4.104 -0.267 1.00 0.00 H new ATOM 293 N PRO A 19 -13.123 0.907 4.464 1.00 0.00 N ATOM 294 CA PRO A 19 -11.963 0.150 4.904 1.00 0.00 C ATOM 295 C PRO A 19 -10.667 0.796 4.411 1.00 0.00 C ATOM 296 O PRO A 19 -10.687 1.609 3.488 1.00 0.00 O ATOM 297 CB PRO A 19 -12.176 -1.251 4.354 1.00 0.00 C ATOM 298 CG PRO A 19 -13.203 -1.110 3.243 1.00 0.00 C ATOM 299 CD PRO A 19 -13.843 0.263 3.370 1.00 0.00 C ATOM 0 HA PRO A 19 -11.863 0.126 5.989 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.243 -1.667 3.973 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.532 -1.926 5.132 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.728 -1.221 2.268 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.959 -1.892 3.320 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.748 0.831 2.445 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.908 0.185 3.588 1.00 0.00 H new ATOM 307 N ILE A 20 -9.571 0.411 5.048 1.00 0.00 N ATOM 308 CA ILE A 20 -8.269 0.943 4.686 1.00 0.00 C ATOM 309 C ILE A 20 -7.496 -0.111 3.890 1.00 0.00 C ATOM 310 O ILE A 20 -7.263 -1.216 4.379 1.00 0.00 O ATOM 311 CB ILE A 20 -7.528 1.440 5.928 1.00 0.00 C ATOM 312 CG1 ILE A 20 -8.430 2.332 6.784 1.00 0.00 C ATOM 313 CG2 ILE A 20 -6.224 2.143 5.545 1.00 0.00 C ATOM 314 CD1 ILE A 20 -8.806 1.636 8.094 1.00 0.00 C ATOM 0 H ILE A 20 -9.558 -0.264 5.813 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.380 1.814 4.040 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.261 0.575 6.535 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.920 3.271 7.000 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.334 2.581 6.228 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.717 2.486 6.447 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.579 1.447 5.009 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.446 2.998 4.906 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -9.447 2.292 8.683 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.338 0.710 7.875 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.901 1.410 8.659 1.00 0.00 H new ATOM 326 N TYR A 21 -7.119 0.267 2.678 1.00 0.00 N ATOM 327 CA TYR A 21 -6.377 -0.632 1.810 1.00 0.00 C ATOM 328 C TYR A 21 -5.128 0.053 1.250 1.00 0.00 C ATOM 329 O TYR A 21 -5.149 1.247 0.958 1.00 0.00 O ATOM 330 CB TYR A 21 -7.319 -0.973 0.653 1.00 0.00 C ATOM 331 CG TYR A 21 -8.535 -1.805 1.065 1.00 0.00 C ATOM 332 CD1 TYR A 21 -8.378 -2.886 1.909 1.00 0.00 C ATOM 333 CD2 TYR A 21 -9.789 -1.474 0.594 1.00 0.00 C ATOM 334 CE1 TYR A 21 -9.523 -3.668 2.298 1.00 0.00 C ATOM 335 CE2 TYR A 21 -10.934 -2.256 0.982 1.00 0.00 C ATOM 336 CZ TYR A 21 -10.744 -3.315 1.815 1.00 0.00 C ATOM 337 OH TYR A 21 -11.826 -4.054 2.181 1.00 0.00 O ATOM 0 H TYR A 21 -7.313 1.184 2.276 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.052 -1.515 2.360 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.664 -0.047 0.194 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.760 -1.517 -0.108 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.397 -3.145 2.278 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.912 -0.628 -0.066 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.414 -4.516 2.958 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.921 -2.008 0.620 1.00 0.00 H new ATOM 0 HH TYR A 21 -12.631 -3.685 1.761 1.00 0.00 H new ATOM 347 N VAL A 22 -4.071 -0.734 1.118 1.00 0.00 N ATOM 348 CA VAL A 22 -2.815 -0.219 0.598 1.00 0.00 C ATOM 349 C VAL A 22 -2.426 -1.004 -0.656 1.00 0.00 C ATOM 350 O VAL A 22 -2.794 -2.169 -0.802 1.00 0.00 O ATOM 351 CB VAL A 22 -1.741 -0.262 1.688 1.00 0.00 C ATOM 352 CG1 VAL A 22 -0.494 0.513 1.259 1.00 0.00 C ATOM 353 CG2 VAL A 22 -2.286 0.267 3.016 1.00 0.00 C ATOM 0 H VAL A 22 -4.058 -1.724 1.362 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.922 0.826 0.306 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.454 -1.303 1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.253 0.467 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.087 0.072 0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.759 1.553 1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.503 0.225 3.773 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.614 1.299 2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.130 -0.346 3.333 1.00 0.00 H new ATOM 363 N ALA A 23 -1.688 -0.335 -1.529 1.00 0.00 N ATOM 364 CA ALA A 23 -1.246 -0.956 -2.766 1.00 0.00 C ATOM 365 C ALA A 23 0.259 -1.223 -2.688 1.00 0.00 C ATOM 366 O ALA A 23 1.021 -0.370 -2.236 1.00 0.00 O ATOM 367 CB ALA A 23 -1.618 -0.060 -3.949 1.00 0.00 C ATOM 0 H ALA A 23 -1.385 0.631 -1.404 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.744 -1.914 -2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.286 -0.526 -4.877 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.699 0.075 -3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.134 0.910 -3.837 1.00 0.00 H new ATOM 373 N ILE A 24 0.641 -2.410 -3.136 1.00 0.00 N ATOM 374 CA ILE A 24 2.040 -2.800 -3.122 1.00 0.00 C ATOM 375 C ILE A 24 2.364 -3.566 -4.406 1.00 0.00 C ATOM 376 O ILE A 24 1.875 -4.675 -4.612 1.00 0.00 O ATOM 377 CB ILE A 24 2.368 -3.574 -1.844 1.00 0.00 C ATOM 378 CG1 ILE A 24 2.952 -2.648 -0.776 1.00 0.00 C ATOM 379 CG2 ILE A 24 3.291 -4.758 -2.143 1.00 0.00 C ATOM 380 CD1 ILE A 24 3.823 -3.428 0.211 1.00 0.00 C ATOM 0 H ILE A 24 0.006 -3.114 -3.511 1.00 0.00 H new ATOM 0 HA ILE A 24 2.681 -1.919 -3.106 1.00 0.00 H new ATOM 0 HB ILE A 24 1.440 -3.981 -1.443 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.546 -1.867 -1.252 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.144 -2.151 -0.239 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.509 -5.292 -1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.801 -5.433 -2.845 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.221 -4.393 -2.579 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.225 -2.745 0.959 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.221 -4.192 0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.644 -3.903 -0.325 1.00 0.00 H new ATOM 392 N LYS A 25 3.187 -2.943 -5.237 1.00 0.00 N ATOM 393 CA LYS A 25 3.582 -3.552 -6.496 1.00 0.00 C ATOM 394 C LYS A 25 2.333 -3.861 -7.323 1.00 0.00 C ATOM 395 O LYS A 25 2.375 -4.686 -8.234 1.00 0.00 O ATOM 396 CB LYS A 25 4.471 -4.772 -6.245 1.00 0.00 C ATOM 397 CG LYS A 25 5.714 -4.389 -5.440 1.00 0.00 C ATOM 398 CD LYS A 25 6.614 -3.444 -6.239 1.00 0.00 C ATOM 399 CE LYS A 25 7.363 -4.198 -7.339 1.00 0.00 C ATOM 400 NZ LYS A 25 8.805 -3.869 -7.305 1.00 0.00 N ATOM 0 H LYS A 25 3.591 -2.023 -5.063 1.00 0.00 H new ATOM 0 HA LYS A 25 4.188 -2.859 -7.080 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.906 -5.534 -5.708 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.771 -5.210 -7.197 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.415 -3.910 -4.508 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.270 -5.288 -5.173 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.012 -2.651 -6.682 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.329 -2.965 -5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.226 -5.272 -7.210 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.948 -3.939 -8.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.131 -3.638 -8.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.960 -3.052 -6.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.339 -4.686 -6.946 1.00 0.00 H new ATOM 414 N GLY A 26 1.249 -3.182 -6.975 1.00 0.00 N ATOM 415 CA GLY A 26 -0.010 -3.373 -7.673 1.00 0.00 C ATOM 416 C GLY A 26 -0.917 -4.343 -6.913 1.00 0.00 C ATOM 417 O GLY A 26 -1.893 -4.848 -7.466 1.00 0.00 O ATOM 0 H GLY A 26 1.218 -2.499 -6.218 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.514 -2.414 -7.790 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.180 -3.757 -8.675 1.00 0.00 H new ATOM 421 N ARG A 27 -0.562 -4.575 -5.658 1.00 0.00 N ATOM 422 CA ARG A 27 -1.331 -5.476 -4.817 1.00 0.00 C ATOM 423 C ARG A 27 -2.026 -4.695 -3.700 1.00 0.00 C ATOM 424 O ARG A 27 -1.385 -3.931 -2.980 1.00 0.00 O ATOM 425 CB ARG A 27 -0.435 -6.551 -4.197 1.00 0.00 C ATOM 426 CG ARG A 27 -1.212 -7.850 -3.976 1.00 0.00 C ATOM 427 CD ARG A 27 -0.383 -8.853 -3.170 1.00 0.00 C ATOM 428 NE ARG A 27 -0.016 -10.006 -4.021 1.00 0.00 N ATOM 429 CZ ARG A 27 -0.903 -10.780 -4.662 1.00 0.00 C ATOM 430 NH1 ARG A 27 -2.214 -10.529 -4.550 1.00 0.00 N ATOM 431 NH2 ARG A 27 -0.478 -11.805 -5.413 1.00 0.00 N ATOM 0 H ARG A 27 0.248 -4.154 -5.203 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.078 -5.960 -5.446 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.418 -6.739 -4.849 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.037 -6.195 -3.247 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.143 -7.637 -3.451 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.482 -8.285 -4.938 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.517 -8.370 -2.789 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.951 -9.195 -2.305 1.00 0.00 H new ATOM 0 HE ARG A 27 0.974 -10.226 -4.127 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.537 -9.749 -3.977 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.889 -11.118 -5.038 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.520 -11.996 -5.497 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.153 -12.394 -5.901 1.00 0.00 H new ATOM 445 N VAL A 28 -3.328 -4.914 -3.590 1.00 0.00 N ATOM 446 CA VAL A 28 -4.117 -4.240 -2.573 1.00 0.00 C ATOM 447 C VAL A 28 -4.010 -5.012 -1.256 1.00 0.00 C ATOM 448 O VAL A 28 -4.317 -6.202 -1.203 1.00 0.00 O ATOM 449 CB VAL A 28 -5.560 -4.076 -3.053 1.00 0.00 C ATOM 450 CG1 VAL A 28 -6.439 -3.476 -1.954 1.00 0.00 C ATOM 451 CG2 VAL A 28 -5.621 -3.231 -4.327 1.00 0.00 C ATOM 0 H VAL A 28 -3.856 -5.549 -4.189 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.732 -3.236 -2.394 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.949 -5.066 -3.289 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.460 -3.370 -2.322 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.433 -4.133 -1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.052 -2.497 -1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.658 -3.130 -4.647 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.204 -2.243 -4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.044 -3.717 -5.114 1.00 0.00 H new ATOM 461 N PHE A 29 -3.572 -4.303 -0.225 1.00 0.00 N ATOM 462 CA PHE A 29 -3.420 -4.907 1.087 1.00 0.00 C ATOM 463 C PHE A 29 -4.291 -4.193 2.123 1.00 0.00 C ATOM 464 O PHE A 29 -4.606 -3.014 1.968 1.00 0.00 O ATOM 465 CB PHE A 29 -1.950 -4.754 1.483 1.00 0.00 C ATOM 466 CG PHE A 29 -1.010 -5.727 0.769 1.00 0.00 C ATOM 467 CD1 PHE A 29 -0.920 -7.018 1.188 1.00 0.00 C ATOM 468 CD2 PHE A 29 -0.264 -5.301 -0.286 1.00 0.00 C ATOM 469 CE1 PHE A 29 -0.047 -7.920 0.526 1.00 0.00 C ATOM 470 CE2 PHE A 29 0.609 -6.204 -0.948 1.00 0.00 C ATOM 471 CZ PHE A 29 0.699 -7.495 -0.529 1.00 0.00 C ATOM 0 H PHE A 29 -3.318 -3.316 -0.273 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.725 -5.953 1.052 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.631 -3.734 1.270 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.857 -4.899 2.559 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.513 -7.357 2.025 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.336 -4.276 -0.620 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.025 -8.945 0.860 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.202 -5.866 -1.785 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.362 -8.182 -1.034 1.00 0.00 H new ATOM 481 N ASP A 30 -4.656 -4.937 3.157 1.00 0.00 N ATOM 482 CA ASP A 30 -5.485 -4.390 4.218 1.00 0.00 C ATOM 483 C ASP A 30 -4.616 -4.115 5.447 1.00 0.00 C ATOM 484 O ASP A 30 -3.921 -5.006 5.932 1.00 0.00 O ATOM 485 CB ASP A 30 -6.581 -5.376 4.625 1.00 0.00 C ATOM 486 CG ASP A 30 -7.984 -4.776 4.732 1.00 0.00 C ATOM 487 OD1 ASP A 30 -8.112 -3.573 4.418 1.00 0.00 O ATOM 488 OD2 ASP A 30 -8.897 -5.534 5.126 1.00 0.00 O ATOM 0 H ASP A 30 -4.393 -5.914 3.283 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.944 -3.473 3.848 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.605 -6.189 3.900 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.315 -5.814 5.587 1.00 0.00 H new ATOM 493 N VAL A 31 -4.683 -2.877 5.914 1.00 0.00 N ATOM 494 CA VAL A 31 -3.912 -2.473 7.077 1.00 0.00 C ATOM 495 C VAL A 31 -4.856 -1.907 8.139 1.00 0.00 C ATOM 496 O VAL A 31 -4.409 -1.319 9.123 1.00 0.00 O ATOM 497 CB VAL A 31 -2.818 -1.486 6.663 1.00 0.00 C ATOM 498 CG1 VAL A 31 -1.918 -2.088 5.582 1.00 0.00 C ATOM 499 CG2 VAL A 31 -3.423 -0.161 6.197 1.00 0.00 C ATOM 0 H VAL A 31 -5.260 -2.140 5.508 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.407 -3.333 7.517 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.201 -1.283 7.538 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.149 -1.367 5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.446 -2.993 5.964 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.517 -2.334 4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.624 0.522 5.909 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.074 -0.339 5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.002 0.280 7.008 1.00 0.00 H new ATOM 509 N THR A 32 -6.145 -2.104 7.905 1.00 0.00 N ATOM 510 CA THR A 32 -7.157 -1.620 8.829 1.00 0.00 C ATOM 511 C THR A 32 -6.855 -2.103 10.249 1.00 0.00 C ATOM 512 O THR A 32 -7.233 -1.452 11.223 1.00 0.00 O ATOM 513 CB THR A 32 -8.524 -2.071 8.312 1.00 0.00 C ATOM 514 OG1 THR A 32 -9.282 -2.308 9.495 1.00 0.00 O ATOM 515 CG2 THR A 32 -8.469 -3.437 7.624 1.00 0.00 C ATOM 0 H THR A 32 -6.512 -2.593 7.088 1.00 0.00 H new ATOM 0 HA THR A 32 -7.157 -0.531 8.882 1.00 0.00 H new ATOM 0 HB THR A 32 -8.910 -1.329 7.614 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.184 -2.603 9.252 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.465 -3.709 7.276 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.788 -3.389 6.774 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.114 -4.187 8.331 1.00 0.00 H new ATOM 523 N THR A 33 -6.179 -3.239 10.323 1.00 0.00 N ATOM 524 CA THR A 33 -5.822 -3.816 11.608 1.00 0.00 C ATOM 525 C THR A 33 -5.058 -2.798 12.456 1.00 0.00 C ATOM 526 O THR A 33 -4.813 -3.029 13.639 1.00 0.00 O ATOM 527 CB THR A 33 -5.036 -5.102 11.347 1.00 0.00 C ATOM 528 OG1 THR A 33 -4.411 -5.386 12.596 1.00 0.00 O ATOM 529 CG2 THR A 33 -3.865 -4.888 10.385 1.00 0.00 C ATOM 0 H THR A 33 -5.869 -3.776 9.513 1.00 0.00 H new ATOM 0 HA THR A 33 -6.709 -4.073 12.187 1.00 0.00 H new ATOM 0 HB THR A 33 -5.705 -5.860 10.941 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.765 -4.784 13.283 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.341 -5.832 10.234 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.241 -4.525 9.429 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.178 -4.154 10.806 1.00 0.00 H new ATOM 537 N GLY A 34 -4.702 -1.692 11.819 1.00 0.00 N ATOM 538 CA GLY A 34 -3.971 -0.638 12.500 1.00 0.00 C ATOM 539 C GLY A 34 -4.223 0.719 11.840 1.00 0.00 C ATOM 540 O GLY A 34 -3.287 1.480 11.598 1.00 0.00 O ATOM 0 H GLY A 34 -4.907 -1.503 10.838 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.273 -0.599 13.547 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.904 -0.862 12.484 1.00 0.00 H new ATOM 544 N LYS A 35 -5.493 0.982 11.567 1.00 0.00 N ATOM 545 CA LYS A 35 -5.880 2.234 10.940 1.00 0.00 C ATOM 546 C LYS A 35 -5.267 3.400 11.717 1.00 0.00 C ATOM 547 O LYS A 35 -5.074 4.483 11.168 1.00 0.00 O ATOM 548 CB LYS A 35 -7.402 2.317 10.805 1.00 0.00 C ATOM 549 CG LYS A 35 -8.008 3.150 11.938 1.00 0.00 C ATOM 550 CD LYS A 35 -9.536 3.127 11.878 1.00 0.00 C ATOM 551 CE LYS A 35 -10.079 4.410 11.243 1.00 0.00 C ATOM 552 NZ LYS A 35 -11.543 4.502 11.434 1.00 0.00 N ATOM 0 H LYS A 35 -6.267 0.349 11.769 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.489 2.288 9.924 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.662 2.760 9.844 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.827 1.313 10.819 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.672 2.762 12.900 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.653 4.178 11.868 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.868 2.263 11.302 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.941 3.015 12.884 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.593 5.278 11.689 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.843 4.424 10.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.896 5.378 10.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.003 3.683 10.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.761 4.510 12.451 1.00 0.00 H new ATOM 566 N SER A 36 -4.977 3.138 12.983 1.00 0.00 N ATOM 567 CA SER A 36 -4.389 4.152 13.841 1.00 0.00 C ATOM 568 C SER A 36 -3.098 4.684 13.215 1.00 0.00 C ATOM 569 O SER A 36 -2.615 5.751 13.591 1.00 0.00 O ATOM 570 CB SER A 36 -4.111 3.597 15.240 1.00 0.00 C ATOM 571 OG SER A 36 -4.360 4.563 16.257 1.00 0.00 O ATOM 0 H SER A 36 -5.138 2.238 13.435 1.00 0.00 H new ATOM 0 HA SER A 36 -5.102 4.971 13.939 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.735 2.720 15.413 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.074 3.267 15.300 1.00 0.00 H new ATOM 0 HG SER A 36 -4.173 4.170 17.135 1.00 0.00 H new ATOM 577 N PHE A 37 -2.576 3.915 12.271 1.00 0.00 N ATOM 578 CA PHE A 37 -1.350 4.295 11.589 1.00 0.00 C ATOM 579 C PHE A 37 -1.635 4.720 10.146 1.00 0.00 C ATOM 580 O PHE A 37 -1.087 5.712 9.668 1.00 0.00 O ATOM 581 CB PHE A 37 -0.445 3.062 11.575 1.00 0.00 C ATOM 582 CG PHE A 37 -0.047 2.567 12.967 1.00 0.00 C ATOM 583 CD1 PHE A 37 1.059 3.070 13.577 1.00 0.00 C ATOM 584 CD2 PHE A 37 -0.800 1.624 13.595 1.00 0.00 C ATOM 585 CE1 PHE A 37 1.428 2.611 14.869 1.00 0.00 C ATOM 586 CE2 PHE A 37 -0.431 1.164 14.886 1.00 0.00 C ATOM 587 CZ PHE A 37 0.676 1.667 15.497 1.00 0.00 C ATOM 0 H PHE A 37 -2.979 3.031 11.962 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.884 5.136 12.103 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.954 2.256 11.046 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.458 3.293 11.011 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.657 3.819 13.079 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.679 1.225 13.111 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.306 3.012 15.354 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.029 0.415 15.383 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.957 1.317 16.479 1.00 0.00 H new ATOM 597 N TYR A 38 -2.491 3.947 9.494 1.00 0.00 N ATOM 598 CA TYR A 38 -2.854 4.231 8.116 1.00 0.00 C ATOM 599 C TYR A 38 -4.111 5.102 8.048 1.00 0.00 C ATOM 600 O TYR A 38 -4.202 6.002 7.215 1.00 0.00 O ATOM 601 CB TYR A 38 -3.152 2.876 7.470 1.00 0.00 C ATOM 602 CG TYR A 38 -2.133 2.455 6.409 1.00 0.00 C ATOM 603 CD1 TYR A 38 -2.080 3.121 5.202 1.00 0.00 C ATOM 604 CD2 TYR A 38 -1.268 1.410 6.660 1.00 0.00 C ATOM 605 CE1 TYR A 38 -1.121 2.724 4.203 1.00 0.00 C ATOM 606 CE2 TYR A 38 -0.309 1.013 5.662 1.00 0.00 C ATOM 607 CZ TYR A 38 -0.283 1.690 4.482 1.00 0.00 C ATOM 608 OH TYR A 38 0.622 1.315 3.539 1.00 0.00 O ATOM 0 H TYR A 38 -2.943 3.125 9.894 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.051 4.768 7.611 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.187 2.114 8.248 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.142 2.912 7.015 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.757 3.939 5.006 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.310 0.890 7.605 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.069 3.236 3.254 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.374 0.197 5.846 1.00 0.00 H new ATOM 0 HH TYR A 38 1.154 0.564 3.876 1.00 0.00 H new ATOM 618 N GLY A 39 -5.047 4.803 8.937 1.00 0.00 N ATOM 619 CA GLY A 39 -6.294 5.548 8.989 1.00 0.00 C ATOM 620 C GLY A 39 -6.036 7.054 8.924 1.00 0.00 C ATOM 621 O GLY A 39 -4.886 7.491 8.910 1.00 0.00 O ATOM 0 H GLY A 39 -4.967 4.056 9.627 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.935 5.249 8.160 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.828 5.306 9.908 1.00 0.00 H new ATOM 625 N SER A 40 -7.125 7.808 8.887 1.00 0.00 N ATOM 626 CA SER A 40 -7.032 9.256 8.825 1.00 0.00 C ATOM 627 C SER A 40 -5.854 9.742 9.673 1.00 0.00 C ATOM 628 O SER A 40 -5.682 9.304 10.810 1.00 0.00 O ATOM 629 CB SER A 40 -8.331 9.913 9.295 1.00 0.00 C ATOM 630 OG SER A 40 -9.358 8.954 9.534 1.00 0.00 O ATOM 0 H SER A 40 -8.077 7.442 8.899 1.00 0.00 H new ATOM 0 HA SER A 40 -6.867 9.543 7.787 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.142 10.477 10.208 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.669 10.627 8.544 1.00 0.00 H new ATOM 0 HG SER A 40 -10.171 9.413 9.834 1.00 0.00 H new ATOM 636 N GLY A 41 -5.075 10.639 9.088 1.00 0.00 N ATOM 637 CA GLY A 41 -3.919 11.188 9.776 1.00 0.00 C ATOM 638 C GLY A 41 -3.241 10.126 10.644 1.00 0.00 C ATOM 639 O GLY A 41 -3.459 10.076 11.853 1.00 0.00 O ATOM 0 H GLY A 41 -5.221 11.000 8.145 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.207 11.575 9.047 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.227 12.029 10.398 1.00 0.00 H new ATOM 643 N GLY A 42 -2.434 9.302 9.992 1.00 0.00 N ATOM 644 CA GLY A 42 -1.723 8.244 10.689 1.00 0.00 C ATOM 645 C GLY A 42 -0.309 8.072 10.130 1.00 0.00 C ATOM 646 O GLY A 42 0.084 8.774 9.200 1.00 0.00 O ATOM 0 H GLY A 42 -2.257 9.346 8.988 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.671 8.475 11.753 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.272 7.307 10.593 1.00 0.00 H new ATOM 650 N ASP A 43 0.417 7.134 10.721 1.00 0.00 N ATOM 651 CA ASP A 43 1.778 6.862 10.294 1.00 0.00 C ATOM 652 C ASP A 43 1.826 6.800 8.766 1.00 0.00 C ATOM 653 O ASP A 43 2.664 7.449 8.141 1.00 0.00 O ATOM 654 CB ASP A 43 2.267 5.518 10.837 1.00 0.00 C ATOM 655 CG ASP A 43 3.532 5.588 11.695 1.00 0.00 C ATOM 656 OD1 ASP A 43 4.592 5.911 11.117 1.00 0.00 O ATOM 657 OD2 ASP A 43 3.409 5.318 12.909 1.00 0.00 O ATOM 0 H ASP A 43 0.088 6.553 11.492 1.00 0.00 H new ATOM 0 HA ASP A 43 2.417 7.659 10.675 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.469 5.071 11.429 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.453 4.850 9.996 1.00 0.00 H new ATOM 662 N TYR A 44 0.917 6.014 8.209 1.00 0.00 N ATOM 663 CA TYR A 44 0.845 5.859 6.766 1.00 0.00 C ATOM 664 C TYR A 44 -0.281 6.713 6.178 1.00 0.00 C ATOM 665 O TYR A 44 -1.199 6.189 5.549 1.00 0.00 O ATOM 666 CB TYR A 44 0.532 4.383 6.515 1.00 0.00 C ATOM 667 CG TYR A 44 1.164 3.431 7.533 1.00 0.00 C ATOM 668 CD1 TYR A 44 2.537 3.332 7.625 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.361 2.672 8.359 1.00 0.00 C ATOM 670 CE1 TYR A 44 3.132 2.437 8.583 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.956 1.776 9.317 1.00 0.00 C ATOM 672 CZ TYR A 44 2.312 1.703 9.382 1.00 0.00 C ATOM 673 OH TYR A 44 2.874 0.857 10.287 1.00 0.00 O ATOM 0 H TYR A 44 0.224 5.477 8.731 1.00 0.00 H new ATOM 0 HA TYR A 44 1.779 6.174 6.300 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.549 4.244 6.526 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.878 4.113 5.517 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.166 3.926 6.978 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.714 2.750 8.287 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.205 2.350 8.665 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.339 1.176 9.969 1.00 0.00 H new ATOM 0 HH TYR A 44 2.168 0.399 10.789 1.00 0.00 H new ATOM 683 N SER A 45 -0.172 8.014 6.403 1.00 0.00 N ATOM 684 CA SER A 45 -1.169 8.946 5.904 1.00 0.00 C ATOM 685 C SER A 45 -1.012 9.120 4.392 1.00 0.00 C ATOM 686 O SER A 45 -1.994 9.328 3.682 1.00 0.00 O ATOM 687 CB SER A 45 -1.059 10.300 6.608 1.00 0.00 C ATOM 688 OG SER A 45 -1.999 11.243 6.102 1.00 0.00 O ATOM 0 H SER A 45 0.592 8.445 6.924 1.00 0.00 H new ATOM 0 HA SER A 45 -2.156 8.536 6.116 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.220 10.166 7.678 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.050 10.692 6.484 1.00 0.00 H new ATOM 0 HG SER A 45 -1.898 12.094 6.578 1.00 0.00 H new ATOM 694 N MET A 46 0.232 9.029 3.944 1.00 0.00 N ATOM 695 CA MET A 46 0.530 9.174 2.530 1.00 0.00 C ATOM 696 C MET A 46 0.287 7.862 1.781 1.00 0.00 C ATOM 697 O MET A 46 -0.023 7.871 0.590 1.00 0.00 O ATOM 698 CB MET A 46 1.990 9.597 2.356 1.00 0.00 C ATOM 699 CG MET A 46 2.926 8.670 3.134 1.00 0.00 C ATOM 700 SD MET A 46 3.440 9.455 4.653 1.00 0.00 S ATOM 701 CE MET A 46 3.837 11.085 4.040 1.00 0.00 C ATOM 0 H MET A 46 1.045 8.857 4.536 1.00 0.00 H new ATOM 0 HA MET A 46 -0.130 9.936 2.116 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.253 9.581 1.298 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.119 10.623 2.701 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.420 7.730 3.354 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.798 8.428 2.527 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.739 11.449 4.532 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.004 11.038 2.964 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.010 11.764 4.250 1.00 0.00 H new ATOM 711 N PHE A 47 0.436 6.765 2.509 1.00 0.00 N ATOM 712 CA PHE A 47 0.236 5.448 1.929 1.00 0.00 C ATOM 713 C PHE A 47 -1.254 5.121 1.813 1.00 0.00 C ATOM 714 O PHE A 47 -1.680 4.483 0.851 1.00 0.00 O ATOM 715 CB PHE A 47 0.896 4.439 2.871 1.00 0.00 C ATOM 716 CG PHE A 47 2.370 4.729 3.158 1.00 0.00 C ATOM 717 CD1 PHE A 47 3.032 5.671 2.435 1.00 0.00 C ATOM 718 CD2 PHE A 47 3.019 4.043 4.138 1.00 0.00 C ATOM 719 CE1 PHE A 47 4.401 5.939 2.701 1.00 0.00 C ATOM 720 CE2 PHE A 47 4.388 4.312 4.404 1.00 0.00 C ATOM 721 CZ PHE A 47 5.050 5.254 3.680 1.00 0.00 C ATOM 0 H PHE A 47 0.693 6.761 3.496 1.00 0.00 H new ATOM 0 HA PHE A 47 0.667 5.413 0.929 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.349 4.425 3.814 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.810 3.443 2.438 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.516 6.216 1.658 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.494 3.295 4.713 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.927 6.687 2.126 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.904 3.768 5.182 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.091 5.458 3.883 1.00 0.00 H new ATOM 731 N ALA A 48 -2.006 5.572 2.806 1.00 0.00 N ATOM 732 CA ALA A 48 -3.439 5.335 2.828 1.00 0.00 C ATOM 733 C ALA A 48 -4.030 5.687 1.461 1.00 0.00 C ATOM 734 O ALA A 48 -3.900 6.818 0.996 1.00 0.00 O ATOM 735 CB ALA A 48 -4.074 6.143 3.962 1.00 0.00 C ATOM 0 H ALA A 48 -1.649 6.101 3.602 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.651 4.283 3.019 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.149 5.965 3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.641 5.836 4.914 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.885 7.205 3.803 1.00 0.00 H new ATOM 741 N GLY A 49 -4.668 4.696 0.855 1.00 0.00 N ATOM 742 CA GLY A 49 -5.280 4.886 -0.449 1.00 0.00 C ATOM 743 C GLY A 49 -4.225 5.216 -1.506 1.00 0.00 C ATOM 744 O GLY A 49 -4.495 5.962 -2.447 1.00 0.00 O ATOM 0 H GLY A 49 -4.774 3.759 1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.819 3.983 -0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.013 5.691 -0.397 1.00 0.00 H new ATOM 748 N LYS A 50 -3.044 4.645 -1.317 1.00 0.00 N ATOM 749 CA LYS A 50 -1.947 4.870 -2.243 1.00 0.00 C ATOM 750 C LYS A 50 -0.952 3.712 -2.139 1.00 0.00 C ATOM 751 O LYS A 50 -0.834 3.083 -1.088 1.00 0.00 O ATOM 752 CB LYS A 50 -1.318 6.244 -2.005 1.00 0.00 C ATOM 753 CG LYS A 50 -2.343 7.360 -2.218 1.00 0.00 C ATOM 754 CD LYS A 50 -1.667 8.733 -2.214 1.00 0.00 C ATOM 755 CE LYS A 50 -2.443 9.728 -3.080 1.00 0.00 C ATOM 756 NZ LYS A 50 -2.796 10.932 -2.295 1.00 0.00 N ATOM 0 H LYS A 50 -2.823 4.027 -0.536 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.313 4.886 -3.270 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.923 6.297 -0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.476 6.385 -2.682 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.860 7.208 -3.165 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.098 7.320 -1.433 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.602 9.108 -1.192 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.646 8.641 -2.585 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.843 10.013 -3.944 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.349 9.257 -3.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.322 11.597 -2.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.387 10.657 -1.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.927 11.389 -1.951 1.00 0.00 H new ATOM 770 N ASP A 51 -0.263 3.465 -3.243 1.00 0.00 N ATOM 771 CA ASP A 51 0.718 2.393 -3.289 1.00 0.00 C ATOM 772 C ASP A 51 2.067 2.921 -2.796 1.00 0.00 C ATOM 773 O ASP A 51 2.888 3.374 -3.592 1.00 0.00 O ATOM 774 CB ASP A 51 0.904 1.878 -4.717 1.00 0.00 C ATOM 775 CG ASP A 51 1.890 0.717 -4.863 1.00 0.00 C ATOM 776 OD1 ASP A 51 2.703 0.543 -3.930 1.00 0.00 O ATOM 777 OD2 ASP A 51 1.807 0.029 -5.903 1.00 0.00 O ATOM 0 H ASP A 51 -0.364 3.988 -4.113 1.00 0.00 H new ATOM 0 HA ASP A 51 0.360 1.580 -2.657 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.065 1.562 -5.102 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.242 2.703 -5.344 1.00 0.00 H new ATOM 782 N ALA A 52 2.253 2.845 -1.487 1.00 0.00 N ATOM 783 CA ALA A 52 3.489 3.309 -0.879 1.00 0.00 C ATOM 784 C ALA A 52 4.546 2.208 -0.977 1.00 0.00 C ATOM 785 O ALA A 52 5.165 1.845 0.022 1.00 0.00 O ATOM 786 CB ALA A 52 3.219 3.731 0.567 1.00 0.00 C ATOM 0 H ALA A 52 1.569 2.469 -0.830 1.00 0.00 H new ATOM 0 HA ALA A 52 3.873 4.182 -1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.146 4.079 1.024 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.484 4.535 0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.835 2.879 1.129 1.00 0.00 H new ATOM 792 N SER A 53 4.721 1.706 -2.191 1.00 0.00 N ATOM 793 CA SER A 53 5.693 0.653 -2.432 1.00 0.00 C ATOM 794 C SER A 53 7.108 1.232 -2.408 1.00 0.00 C ATOM 795 O SER A 53 7.995 0.687 -1.753 1.00 0.00 O ATOM 796 CB SER A 53 5.427 -0.045 -3.768 1.00 0.00 C ATOM 797 OG SER A 53 5.277 0.885 -4.836 1.00 0.00 O ATOM 0 H SER A 53 4.206 2.009 -3.018 1.00 0.00 H new ATOM 0 HA SER A 53 5.598 -0.089 -1.639 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.249 -0.724 -3.992 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.525 -0.652 -3.687 1.00 0.00 H new ATOM 0 HG SER A 53 4.348 1.195 -4.872 1.00 0.00 H new ATOM 803 N ARG A 54 7.277 2.330 -3.131 1.00 0.00 N ATOM 804 CA ARG A 54 8.570 2.989 -3.200 1.00 0.00 C ATOM 805 C ARG A 54 8.926 3.603 -1.845 1.00 0.00 C ATOM 806 O ARG A 54 10.051 3.455 -1.369 1.00 0.00 O ATOM 807 CB ARG A 54 8.572 4.086 -4.267 1.00 0.00 C ATOM 808 CG ARG A 54 7.660 3.715 -5.438 1.00 0.00 C ATOM 809 CD ARG A 54 8.227 4.235 -6.760 1.00 0.00 C ATOM 810 NE ARG A 54 8.040 5.700 -6.850 1.00 0.00 N ATOM 811 CZ ARG A 54 8.038 6.388 -8.000 1.00 0.00 C ATOM 812 NH1 ARG A 54 8.213 5.748 -9.164 1.00 0.00 N ATOM 813 NH2 ARG A 54 7.861 7.716 -7.986 1.00 0.00 N ATOM 0 H ARG A 54 6.540 2.779 -3.674 1.00 0.00 H new ATOM 0 HA ARG A 54 9.312 2.237 -3.467 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.240 5.026 -3.827 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.588 4.244 -4.629 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.548 2.632 -5.487 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.666 4.131 -5.276 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.287 3.990 -6.832 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.729 3.745 -7.597 1.00 0.00 H new ATOM 0 HE ARG A 54 7.904 6.219 -5.982 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.348 4.737 -9.175 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.211 6.272 -10.039 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.728 8.203 -7.100 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.860 8.240 -8.861 1.00 0.00 H new ATOM 827 N ALA A 55 7.947 4.279 -1.262 1.00 0.00 N ATOM 828 CA ALA A 55 8.144 4.916 0.029 1.00 0.00 C ATOM 829 C ALA A 55 8.531 3.857 1.062 1.00 0.00 C ATOM 830 O ALA A 55 9.351 4.114 1.943 1.00 0.00 O ATOM 831 CB ALA A 55 6.875 5.677 0.421 1.00 0.00 C ATOM 0 H ALA A 55 7.015 4.399 -1.660 1.00 0.00 H new ATOM 0 HA ALA A 55 8.957 5.640 -0.020 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.022 6.155 1.389 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.660 6.437 -0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.038 4.981 0.483 1.00 0.00 H new ATOM 837 N LEU A 56 7.924 2.688 0.920 1.00 0.00 N ATOM 838 CA LEU A 56 8.195 1.588 1.830 1.00 0.00 C ATOM 839 C LEU A 56 9.605 1.054 1.572 1.00 0.00 C ATOM 840 O LEU A 56 10.332 0.729 2.510 1.00 0.00 O ATOM 841 CB LEU A 56 7.104 0.521 1.722 1.00 0.00 C ATOM 842 CG LEU A 56 5.920 0.674 2.679 1.00 0.00 C ATOM 843 CD1 LEU A 56 4.721 -0.150 2.204 1.00 0.00 C ATOM 844 CD2 LEU A 56 6.324 0.325 4.113 1.00 0.00 C ATOM 0 H LEU A 56 7.245 2.478 0.188 1.00 0.00 H new ATOM 0 HA LEU A 56 8.169 1.934 2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.723 0.521 0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.559 -0.455 1.892 1.00 0.00 H new ATOM 0 HG LEU A 56 5.613 1.720 2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.893 -0.024 2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.416 0.189 1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.999 -1.203 2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.464 0.442 4.772 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.673 -0.707 4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.124 0.991 4.438 1.00 0.00 H new ATOM 856 N GLY A 57 9.950 0.979 0.295 1.00 0.00 N ATOM 857 CA GLY A 57 11.260 0.490 -0.099 1.00 0.00 C ATOM 858 C GLY A 57 12.372 1.358 0.495 1.00 0.00 C ATOM 859 O GLY A 57 13.020 0.966 1.464 1.00 0.00 O ATOM 0 H GLY A 57 9.345 1.249 -0.480 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.382 -0.541 0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.339 0.486 -1.186 1.00 0.00 H new ATOM 863 N LYS A 58 12.557 2.521 -0.111 1.00 0.00 N ATOM 864 CA LYS A 58 13.579 3.448 0.345 1.00 0.00 C ATOM 865 C LYS A 58 13.275 3.866 1.785 1.00 0.00 C ATOM 866 O LYS A 58 14.166 4.309 2.508 1.00 0.00 O ATOM 867 CB LYS A 58 13.705 4.626 -0.623 1.00 0.00 C ATOM 868 CG LYS A 58 13.917 4.136 -2.057 1.00 0.00 C ATOM 869 CD LYS A 58 12.766 4.578 -2.963 1.00 0.00 C ATOM 870 CE LYS A 58 12.686 3.700 -4.214 1.00 0.00 C ATOM 871 NZ LYS A 58 12.391 4.525 -5.407 1.00 0.00 N ATOM 0 H LYS A 58 12.017 2.843 -0.914 1.00 0.00 H new ATOM 0 HA LYS A 58 14.556 2.965 0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.806 5.240 -0.574 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.540 5.260 -0.324 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.859 4.526 -2.443 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.995 3.049 -2.066 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.825 4.523 -2.415 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.906 5.619 -3.253 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.628 3.170 -4.355 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.911 2.944 -4.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.256 3.906 -6.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.525 5.076 -5.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.185 5.173 -5.586 1.00 0.00 H new ATOM 885 N MET A 59 12.013 3.711 2.159 1.00 0.00 N ATOM 886 CA MET A 59 11.581 4.067 3.500 1.00 0.00 C ATOM 887 C MET A 59 11.621 5.583 3.705 1.00 0.00 C ATOM 888 O MET A 59 12.112 6.062 4.726 1.00 0.00 O ATOM 889 CB MET A 59 12.489 3.388 4.527 1.00 0.00 C ATOM 890 CG MET A 59 12.571 1.881 4.275 1.00 0.00 C ATOM 891 SD MET A 59 14.260 1.326 4.436 1.00 0.00 S ATOM 892 CE MET A 59 14.049 0.045 5.661 1.00 0.00 C ATOM 0 H MET A 59 11.276 3.344 1.557 1.00 0.00 H new ATOM 0 HA MET A 59 10.553 3.729 3.632 1.00 0.00 H new ATOM 0 HB2 MET A 59 13.487 3.823 4.479 1.00 0.00 H new ATOM 0 HB3 MET A 59 12.109 3.572 5.532 1.00 0.00 H new ATOM 0 HG2 MET A 59 11.936 1.350 4.984 1.00 0.00 H new ATOM 0 HG3 MET A 59 12.197 1.650 3.278 1.00 0.00 H new ATOM 0 HE1 MET A 59 14.997 -0.470 5.816 1.00 0.00 H new ATOM 0 HE2 MET A 59 13.720 0.490 6.600 1.00 0.00 H new ATOM 0 HE3 MET A 59 13.301 -0.668 5.316 1.00 0.00 H new ATOM 902 N SER A 60 11.099 6.295 2.718 1.00 0.00 N ATOM 903 CA SER A 60 11.069 7.747 2.777 1.00 0.00 C ATOM 904 C SER A 60 9.704 8.223 3.277 1.00 0.00 C ATOM 905 O SER A 60 9.617 9.197 4.022 1.00 0.00 O ATOM 906 CB SER A 60 11.377 8.360 1.409 1.00 0.00 C ATOM 907 OG SER A 60 12.027 9.623 1.525 1.00 0.00 O ATOM 0 H SER A 60 10.693 5.894 1.872 1.00 0.00 H new ATOM 0 HA SER A 60 11.839 8.077 3.475 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.009 7.678 0.840 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.450 8.479 0.848 1.00 0.00 H new ATOM 0 HG SER A 60 11.473 10.315 1.108 1.00 0.00 H new ATOM 913 N LYS A 61 8.671 7.512 2.847 1.00 0.00 N ATOM 914 CA LYS A 61 7.314 7.850 3.242 1.00 0.00 C ATOM 915 C LYS A 61 6.848 9.075 2.453 1.00 0.00 C ATOM 916 O LYS A 61 5.830 9.680 2.784 1.00 0.00 O ATOM 917 CB LYS A 61 7.226 8.025 4.759 1.00 0.00 C ATOM 918 CG LYS A 61 7.853 6.834 5.486 1.00 0.00 C ATOM 919 CD LYS A 61 8.210 7.198 6.929 1.00 0.00 C ATOM 920 CE LYS A 61 9.715 7.070 7.171 1.00 0.00 C ATOM 921 NZ LYS A 61 10.006 5.881 8.003 1.00 0.00 N ATOM 0 H LYS A 61 8.747 6.704 2.229 1.00 0.00 H new ATOM 0 HA LYS A 61 6.632 7.036 2.998 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.734 8.943 5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.183 8.129 5.057 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.159 5.994 5.480 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.749 6.511 4.956 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.890 8.218 7.140 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.671 6.546 7.616 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.237 6.991 6.218 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.088 7.967 7.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.032 5.808 8.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.523 5.972 8.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.668 5.026 7.517 1.00 0.00 H new ATOM 935 N ASN A 62 7.615 9.404 1.424 1.00 0.00 N ATOM 936 CA ASN A 62 7.293 10.546 0.585 1.00 0.00 C ATOM 937 C ASN A 62 5.973 10.283 -0.141 1.00 0.00 C ATOM 938 O ASN A 62 5.743 9.183 -0.641 1.00 0.00 O ATOM 939 CB ASN A 62 8.376 10.776 -0.471 1.00 0.00 C ATOM 940 CG ASN A 62 9.396 11.812 0.007 1.00 0.00 C ATOM 941 OD1 ASN A 62 10.493 11.490 0.432 1.00 0.00 O ATOM 942 ND2 ASN A 62 8.974 13.070 -0.087 1.00 0.00 N ATOM 0 H ASN A 62 8.459 8.900 1.152 1.00 0.00 H new ATOM 0 HA ASN A 62 7.221 11.425 1.225 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.882 9.836 -0.689 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.917 11.114 -1.400 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.582 13.835 0.206 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.043 13.270 -0.452 1.00 0.00 H new ATOM 949 N GLU A 63 5.139 11.313 -0.177 1.00 0.00 N ATOM 950 CA GLU A 63 3.847 11.207 -0.834 1.00 0.00 C ATOM 951 C GLU A 63 4.032 11.028 -2.342 1.00 0.00 C ATOM 952 O GLU A 63 3.140 10.527 -3.025 1.00 0.00 O ATOM 953 CB GLU A 63 2.976 12.427 -0.530 1.00 0.00 C ATOM 954 CG GLU A 63 1.491 12.059 -0.546 1.00 0.00 C ATOM 955 CD GLU A 63 0.709 12.975 -1.489 1.00 0.00 C ATOM 956 OE1 GLU A 63 0.348 14.082 -1.035 1.00 0.00 O ATOM 957 OE2 GLU A 63 0.491 12.548 -2.644 1.00 0.00 O ATOM 0 H GLU A 63 5.333 12.224 0.238 1.00 0.00 H new ATOM 0 HA GLU A 63 3.333 10.328 -0.444 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.243 12.835 0.445 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.169 13.208 -1.266 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.373 11.022 -0.860 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.083 12.135 0.462 1.00 0.00 H new ATOM 964 N GLU A 64 5.196 11.447 -2.818 1.00 0.00 N ATOM 965 CA GLU A 64 5.509 11.339 -4.232 1.00 0.00 C ATOM 966 C GLU A 64 6.208 10.009 -4.521 1.00 0.00 C ATOM 967 O GLU A 64 6.226 9.547 -5.661 1.00 0.00 O ATOM 968 CB GLU A 64 6.364 12.520 -4.696 1.00 0.00 C ATOM 969 CG GLU A 64 5.930 13.815 -4.007 1.00 0.00 C ATOM 970 CD GLU A 64 4.651 14.370 -4.637 1.00 0.00 C ATOM 971 OE1 GLU A 64 4.707 14.696 -5.842 1.00 0.00 O ATOM 972 OE2 GLU A 64 3.646 14.455 -3.899 1.00 0.00 O ATOM 0 H GLU A 64 5.934 11.862 -2.249 1.00 0.00 H new ATOM 0 HA GLU A 64 4.575 11.366 -4.794 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.413 12.322 -4.478 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.279 12.633 -5.777 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.766 13.629 -2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.727 14.555 -4.081 1.00 0.00 H new ATOM 979 N ASP A 65 6.768 9.430 -3.469 1.00 0.00 N ATOM 980 CA ASP A 65 7.467 8.163 -3.595 1.00 0.00 C ATOM 981 C ASP A 65 6.454 7.053 -3.882 1.00 0.00 C ATOM 982 O ASP A 65 6.667 6.226 -4.767 1.00 0.00 O ATOM 983 CB ASP A 65 8.203 7.808 -2.301 1.00 0.00 C ATOM 984 CG ASP A 65 9.706 8.090 -2.314 1.00 0.00 C ATOM 985 OD1 ASP A 65 10.112 8.968 -3.106 1.00 0.00 O ATOM 986 OD2 ASP A 65 10.416 7.422 -1.531 1.00 0.00 O ATOM 0 H ASP A 65 6.752 9.816 -2.525 1.00 0.00 H new ATOM 0 HA ASP A 65 8.189 8.256 -4.406 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.751 8.364 -1.480 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.049 6.749 -2.092 1.00 0.00 H new ATOM 991 N VAL A 66 5.372 7.071 -3.116 1.00 0.00 N ATOM 992 CA VAL A 66 4.325 6.076 -3.277 1.00 0.00 C ATOM 993 C VAL A 66 3.935 5.987 -4.754 1.00 0.00 C ATOM 994 O VAL A 66 3.464 6.964 -5.335 1.00 0.00 O ATOM 995 CB VAL A 66 3.143 6.409 -2.365 1.00 0.00 C ATOM 996 CG1 VAL A 66 3.119 7.899 -2.019 1.00 0.00 C ATOM 997 CG2 VAL A 66 1.821 5.972 -3.000 1.00 0.00 C ATOM 0 H VAL A 66 5.198 7.759 -2.383 1.00 0.00 H new ATOM 0 HA VAL A 66 4.683 5.092 -2.976 1.00 0.00 H new ATOM 0 HB VAL A 66 3.269 5.852 -1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.269 8.108 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.042 8.168 -1.506 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.029 8.484 -2.934 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.997 6.220 -2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.686 6.488 -3.950 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.838 4.896 -3.171 1.00 0.00 H new ATOM 1007 N SER A 67 4.145 4.807 -5.318 1.00 0.00 N ATOM 1008 CA SER A 67 3.820 4.578 -6.716 1.00 0.00 C ATOM 1009 C SER A 67 2.989 3.301 -6.858 1.00 0.00 C ATOM 1010 O SER A 67 3.391 2.239 -6.387 1.00 0.00 O ATOM 1011 CB SER A 67 5.088 4.483 -7.567 1.00 0.00 C ATOM 1012 OG SER A 67 5.646 3.172 -7.550 1.00 0.00 O ATOM 0 H SER A 67 4.536 3.999 -4.833 1.00 0.00 H new ATOM 0 HA SER A 67 3.236 5.426 -7.075 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.857 4.765 -8.594 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.826 5.196 -7.199 1.00 0.00 H new ATOM 0 HG SER A 67 5.244 2.636 -8.266 1.00 0.00 H new ATOM 1018 N PRO A 68 1.814 3.452 -7.527 1.00 0.00 N ATOM 1019 CA PRO A 68 0.923 2.324 -7.737 1.00 0.00 C ATOM 1020 C PRO A 68 1.463 1.393 -8.825 1.00 0.00 C ATOM 1021 O PRO A 68 0.795 0.437 -9.216 1.00 0.00 O ATOM 1022 CB PRO A 68 -0.417 2.944 -8.097 1.00 0.00 C ATOM 1023 CG PRO A 68 -0.115 4.369 -8.529 1.00 0.00 C ATOM 1024 CD PRO A 68 1.306 4.695 -8.099 1.00 0.00 C ATOM 0 HA PRO A 68 0.830 1.691 -6.854 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.902 2.387 -8.899 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.095 2.930 -7.244 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.220 4.471 -9.609 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.821 5.064 -8.073 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.912 5.018 -8.946 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.323 5.503 -7.368 1.00 0.00 H new ATOM 1032 N SER A 69 2.667 1.706 -9.282 1.00 0.00 N ATOM 1033 CA SER A 69 3.304 0.909 -10.317 1.00 0.00 C ATOM 1034 C SER A 69 4.810 0.825 -10.059 1.00 0.00 C ATOM 1035 O SER A 69 5.381 1.696 -9.405 1.00 0.00 O ATOM 1036 CB SER A 69 3.035 1.493 -11.705 1.00 0.00 C ATOM 1037 OG SER A 69 4.149 2.233 -12.198 1.00 0.00 O ATOM 0 H SER A 69 3.218 2.500 -8.955 1.00 0.00 H new ATOM 0 HA SER A 69 2.880 -0.095 -10.286 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.800 0.686 -12.399 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.160 2.141 -11.662 1.00 0.00 H new ATOM 0 HG SER A 69 3.938 2.588 -13.087 1.00 0.00 H new ATOM 1043 N LEU A 70 5.409 -0.233 -10.586 1.00 0.00 N ATOM 1044 CA LEU A 70 6.838 -0.442 -10.422 1.00 0.00 C ATOM 1045 C LEU A 70 7.594 0.394 -11.456 1.00 0.00 C ATOM 1046 O LEU A 70 8.461 -0.121 -12.161 1.00 0.00 O ATOM 1047 CB LEU A 70 7.170 -1.935 -10.475 1.00 0.00 C ATOM 1048 CG LEU A 70 6.221 -2.804 -11.303 1.00 0.00 C ATOM 1049 CD1 LEU A 70 6.936 -4.050 -11.828 1.00 0.00 C ATOM 1050 CD2 LEU A 70 4.965 -3.158 -10.504 1.00 0.00 C ATOM 0 H LEU A 70 4.931 -0.954 -11.126 1.00 0.00 H new ATOM 0 HA LEU A 70 7.163 -0.101 -9.439 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.177 -2.049 -10.875 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.187 -2.320 -9.455 1.00 0.00 H new ATOM 0 HG LEU A 70 5.899 -2.228 -12.171 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.239 -4.650 -12.413 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.774 -3.751 -12.457 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.305 -4.639 -10.988 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.307 -3.776 -11.115 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.248 -3.707 -9.606 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.444 -2.243 -10.221 1.00 0.00 H new ATOM 1062 N GLU A 71 7.239 1.669 -11.514 1.00 0.00 N ATOM 1063 CA GLU A 71 7.873 2.581 -12.451 1.00 0.00 C ATOM 1064 C GLU A 71 8.858 3.494 -11.718 1.00 0.00 C ATOM 1065 O GLU A 71 8.831 4.711 -11.894 1.00 0.00 O ATOM 1066 CB GLU A 71 6.828 3.400 -13.211 1.00 0.00 C ATOM 1067 CG GLU A 71 6.503 2.756 -14.561 1.00 0.00 C ATOM 1068 CD GLU A 71 6.194 3.820 -15.616 1.00 0.00 C ATOM 1069 OE1 GLU A 71 5.275 4.626 -15.357 1.00 0.00 O ATOM 1070 OE2 GLU A 71 6.885 3.803 -16.658 1.00 0.00 O ATOM 0 H GLU A 71 6.520 2.092 -10.927 1.00 0.00 H new ATOM 0 HA GLU A 71 8.428 1.993 -13.182 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.919 3.481 -12.614 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.198 4.413 -13.367 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.345 2.147 -14.889 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.649 2.087 -14.453 1.00 0.00 H new ATOM 1077 N GLY A 72 9.704 2.871 -10.911 1.00 0.00 N ATOM 1078 CA GLY A 72 10.696 3.612 -10.150 1.00 0.00 C ATOM 1079 C GLY A 72 11.378 2.714 -9.116 1.00 0.00 C ATOM 1080 O GLY A 72 12.524 2.954 -8.739 1.00 0.00 O ATOM 0 H GLY A 72 9.723 1.861 -10.767 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.444 4.026 -10.827 1.00 0.00 H new ATOM 0 HA3 GLY A 72 10.220 4.454 -9.648 1.00 0.00 H new ATOM 1084 N LEU A 73 10.644 1.698 -8.686 1.00 0.00 N ATOM 1085 CA LEU A 73 11.163 0.763 -7.703 1.00 0.00 C ATOM 1086 C LEU A 73 12.592 0.370 -8.084 1.00 0.00 C ATOM 1087 O LEU A 73 12.797 -0.455 -8.973 1.00 0.00 O ATOM 1088 CB LEU A 73 10.219 -0.431 -7.547 1.00 0.00 C ATOM 1089 CG LEU A 73 8.985 -0.200 -6.672 1.00 0.00 C ATOM 1090 CD1 LEU A 73 9.368 -0.123 -5.193 1.00 0.00 C ATOM 1091 CD2 LEU A 73 8.213 1.040 -7.129 1.00 0.00 C ATOM 0 H LEU A 73 9.694 1.502 -9.001 1.00 0.00 H new ATOM 0 HA LEU A 73 11.211 1.232 -6.720 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.885 -0.737 -8.538 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.785 -1.264 -7.130 1.00 0.00 H new ATOM 0 HG LEU A 73 8.319 -1.055 -6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.473 0.042 -4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.841 -1.057 -4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.064 0.702 -5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.341 1.181 -6.491 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.858 1.916 -7.061 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.889 0.907 -8.161 1.00 0.00 H new ATOM 1103 N THR A 74 13.544 0.980 -7.392 1.00 0.00 N ATOM 1104 CA THR A 74 14.947 0.704 -7.647 1.00 0.00 C ATOM 1105 C THR A 74 15.384 -0.563 -6.909 1.00 0.00 C ATOM 1106 O THR A 74 14.563 -1.243 -6.296 1.00 0.00 O ATOM 1107 CB THR A 74 15.752 1.944 -7.252 1.00 0.00 C ATOM 1108 OG1 THR A 74 15.664 1.978 -5.830 1.00 0.00 O ATOM 1109 CG2 THR A 74 15.079 3.245 -7.698 1.00 0.00 C ATOM 0 H THR A 74 13.371 1.664 -6.655 1.00 0.00 H new ATOM 0 HA THR A 74 15.125 0.505 -8.704 1.00 0.00 H new ATOM 0 HB THR A 74 16.749 1.883 -7.687 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.549 2.904 -5.531 1.00 0.00 H new ATOM 0 HG21 THR A 74 15.691 4.094 -7.393 1.00 0.00 H new ATOM 0 HG22 THR A 74 14.972 3.246 -8.783 1.00 0.00 H new ATOM 0 HG23 THR A 74 14.095 3.322 -7.236 1.00 0.00 H new ATOM 1117 N GLU A 75 16.677 -0.842 -6.993 1.00 0.00 N ATOM 1118 CA GLU A 75 17.233 -2.016 -6.342 1.00 0.00 C ATOM 1119 C GLU A 75 17.165 -1.861 -4.821 1.00 0.00 C ATOM 1120 O GLU A 75 16.775 -2.790 -4.115 1.00 0.00 O ATOM 1121 CB GLU A 75 18.669 -2.271 -6.803 1.00 0.00 C ATOM 1122 CG GLU A 75 18.757 -3.547 -7.641 1.00 0.00 C ATOM 1123 CD GLU A 75 20.074 -4.283 -7.383 1.00 0.00 C ATOM 1124 OE1 GLU A 75 20.395 -4.470 -6.189 1.00 0.00 O ATOM 1125 OE2 GLU A 75 20.730 -4.642 -8.385 1.00 0.00 O ATOM 0 H GLU A 75 17.355 -0.275 -7.502 1.00 0.00 H new ATOM 0 HA GLU A 75 16.636 -2.882 -6.627 1.00 0.00 H new ATOM 0 HB2 GLU A 75 19.023 -1.422 -7.388 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.324 -2.355 -5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.918 -4.201 -7.403 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.677 -3.298 -8.699 1.00 0.00 H new ATOM 1132 N LYS A 76 17.551 -0.680 -4.361 1.00 0.00 N ATOM 1133 CA LYS A 76 17.539 -0.391 -2.937 1.00 0.00 C ATOM 1134 C LYS A 76 16.160 -0.725 -2.365 1.00 0.00 C ATOM 1135 O LYS A 76 16.055 -1.400 -1.341 1.00 0.00 O ATOM 1136 CB LYS A 76 17.979 1.051 -2.679 1.00 0.00 C ATOM 1137 CG LYS A 76 16.778 1.998 -2.675 1.00 0.00 C ATOM 1138 CD LYS A 76 17.174 3.385 -2.163 1.00 0.00 C ATOM 1139 CE LYS A 76 17.305 4.379 -3.319 1.00 0.00 C ATOM 1140 NZ LYS A 76 17.805 5.682 -2.827 1.00 0.00 N ATOM 0 H LYS A 76 17.874 0.088 -4.949 1.00 0.00 H new ATOM 0 HA LYS A 76 18.262 -1.018 -2.415 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.497 1.111 -1.722 1.00 0.00 H new ATOM 0 HB3 LYS A 76 18.689 1.361 -3.446 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.373 2.081 -3.683 1.00 0.00 H new ATOM 0 HG3 LYS A 76 15.988 1.586 -2.047 1.00 0.00 H new ATOM 0 HD2 LYS A 76 16.427 3.742 -1.454 1.00 0.00 H new ATOM 0 HD3 LYS A 76 18.119 3.322 -1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 76 17.986 3.982 -4.072 1.00 0.00 H new ATOM 0 HE3 LYS A 76 16.337 4.513 -3.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 17.888 6.345 -3.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 17.141 6.066 -2.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 18.738 5.552 -2.386 1.00 0.00 H new ATOM 1154 N GLU A 77 15.137 -0.238 -3.050 1.00 0.00 N ATOM 1155 CA GLU A 77 13.768 -0.476 -2.623 1.00 0.00 C ATOM 1156 C GLU A 77 13.352 -1.912 -2.951 1.00 0.00 C ATOM 1157 O GLU A 77 12.679 -2.564 -2.155 1.00 0.00 O ATOM 1158 CB GLU A 77 12.811 0.532 -3.262 1.00 0.00 C ATOM 1159 CG GLU A 77 12.852 0.435 -4.788 1.00 0.00 C ATOM 1160 CD GLU A 77 12.200 -0.862 -5.273 1.00 0.00 C ATOM 1161 OE1 GLU A 77 11.432 -1.443 -4.477 1.00 0.00 O ATOM 1162 OE2 GLU A 77 12.485 -1.242 -6.429 1.00 0.00 O ATOM 0 H GLU A 77 15.228 0.321 -3.898 1.00 0.00 H new ATOM 0 HA GLU A 77 13.716 -0.341 -1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.796 0.349 -2.910 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.079 1.542 -2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 77 12.336 1.291 -5.224 1.00 0.00 H new ATOM 0 HG3 GLU A 77 13.886 0.477 -5.131 1.00 0.00 H new ATOM 1169 N ILE A 78 13.771 -2.362 -4.125 1.00 0.00 N ATOM 1170 CA ILE A 78 13.450 -3.708 -4.568 1.00 0.00 C ATOM 1171 C ILE A 78 13.811 -4.703 -3.464 1.00 0.00 C ATOM 1172 O ILE A 78 13.235 -5.787 -3.388 1.00 0.00 O ATOM 1173 CB ILE A 78 14.124 -4.005 -5.909 1.00 0.00 C ATOM 1174 CG1 ILE A 78 13.224 -3.599 -7.077 1.00 0.00 C ATOM 1175 CG2 ILE A 78 14.549 -5.473 -5.995 1.00 0.00 C ATOM 1176 CD1 ILE A 78 13.081 -4.744 -8.083 1.00 0.00 C ATOM 0 H ILE A 78 14.330 -1.818 -4.783 1.00 0.00 H new ATOM 0 HA ILE A 78 12.379 -3.805 -4.747 1.00 0.00 H new ATOM 0 HB ILE A 78 15.030 -3.403 -5.977 1.00 0.00 H new ATOM 0 HG12 ILE A 78 12.241 -3.315 -6.702 1.00 0.00 H new ATOM 0 HG13 ILE A 78 13.640 -2.723 -7.574 1.00 0.00 H new ATOM 0 HG21 ILE A 78 15.025 -5.658 -6.958 1.00 0.00 H new ATOM 0 HG22 ILE A 78 15.253 -5.696 -5.193 1.00 0.00 H new ATOM 0 HG23 ILE A 78 13.672 -6.112 -5.896 1.00 0.00 H new ATOM 0 HD11 ILE A 78 12.436 -4.429 -8.903 1.00 0.00 H new ATOM 0 HD12 ILE A 78 14.063 -5.009 -8.475 1.00 0.00 H new ATOM 0 HD13 ILE A 78 12.642 -5.610 -7.588 1.00 0.00 H new ATOM 1188 N ASN A 79 14.762 -4.299 -2.635 1.00 0.00 N ATOM 1189 CA ASN A 79 15.207 -5.142 -1.538 1.00 0.00 C ATOM 1190 C ASN A 79 14.301 -4.915 -0.327 1.00 0.00 C ATOM 1191 O ASN A 79 13.892 -5.869 0.334 1.00 0.00 O ATOM 1192 CB ASN A 79 16.641 -4.800 -1.127 1.00 0.00 C ATOM 1193 CG ASN A 79 17.646 -5.707 -1.838 1.00 0.00 C ATOM 1194 OD1 ASN A 79 17.738 -6.897 -1.582 1.00 0.00 O ATOM 1195 ND2 ASN A 79 18.394 -5.082 -2.743 1.00 0.00 N ATOM 0 H ASN A 79 15.237 -3.399 -2.701 1.00 0.00 H new ATOM 0 HA ASN A 79 15.165 -6.179 -1.871 1.00 0.00 H new ATOM 0 HB2 ASN A 79 16.853 -3.758 -1.367 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.749 -4.907 -0.048 1.00 0.00 H new ATOM 0 HD21 ASN A 79 19.095 -5.601 -3.271 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.266 -4.084 -2.909 1.00 0.00 H new ATOM 1202 N THR A 80 14.013 -3.647 -0.072 1.00 0.00 N ATOM 1203 CA THR A 80 13.162 -3.284 1.049 1.00 0.00 C ATOM 1204 C THR A 80 11.690 -3.500 0.693 1.00 0.00 C ATOM 1205 O THR A 80 10.941 -4.091 1.469 1.00 0.00 O ATOM 1206 CB THR A 80 13.487 -1.841 1.440 1.00 0.00 C ATOM 1207 OG1 THR A 80 14.779 -1.925 2.035 1.00 0.00 O ATOM 1208 CG2 THR A 80 12.590 -1.323 2.566 1.00 0.00 C ATOM 0 H THR A 80 14.354 -2.858 -0.622 1.00 0.00 H new ATOM 0 HA THR A 80 13.352 -3.921 1.913 1.00 0.00 H new ATOM 0 HB THR A 80 13.382 -1.196 0.567 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.068 -1.032 2.317 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.863 -0.295 2.805 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.548 -1.357 2.246 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.719 -1.947 3.450 1.00 0.00 H new ATOM 1216 N LEU A 81 11.320 -3.010 -0.481 1.00 0.00 N ATOM 1217 CA LEU A 81 9.951 -3.143 -0.949 1.00 0.00 C ATOM 1218 C LEU A 81 9.564 -4.623 -0.969 1.00 0.00 C ATOM 1219 O LEU A 81 8.575 -5.018 -0.354 1.00 0.00 O ATOM 1220 CB LEU A 81 9.776 -2.444 -2.299 1.00 0.00 C ATOM 1221 CG LEU A 81 8.499 -2.784 -3.070 1.00 0.00 C ATOM 1222 CD1 LEU A 81 8.726 -3.970 -4.010 1.00 0.00 C ATOM 1223 CD2 LEU A 81 7.329 -3.026 -2.114 1.00 0.00 C ATOM 0 H LEU A 81 11.944 -2.520 -1.122 1.00 0.00 H new ATOM 0 HA LEU A 81 9.265 -2.643 -0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.801 -1.367 -2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.632 -2.690 -2.927 1.00 0.00 H new ATOM 0 HG LEU A 81 8.236 -1.927 -3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.803 -4.191 -4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.511 -3.723 -4.725 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.026 -4.842 -3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.434 -3.266 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.568 -3.857 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.151 -2.128 -1.522 1.00 0.00 H new ATOM 1235 N ASN A 82 10.365 -5.402 -1.682 1.00 0.00 N ATOM 1236 CA ASN A 82 10.118 -6.829 -1.790 1.00 0.00 C ATOM 1237 C ASN A 82 9.853 -7.404 -0.397 1.00 0.00 C ATOM 1238 O ASN A 82 8.812 -8.014 -0.162 1.00 0.00 O ATOM 1239 CB ASN A 82 11.331 -7.554 -2.377 1.00 0.00 C ATOM 1240 CG ASN A 82 11.242 -7.625 -3.903 1.00 0.00 C ATOM 1241 OD1 ASN A 82 11.116 -6.440 -4.493 1.00 0.00 O flip ATOM 1242 ND2 ASN A 82 11.285 -8.686 -4.505 1.00 0.00 N flip ATOM 0 H ASN A 82 11.185 -5.071 -2.190 1.00 0.00 H new ATOM 0 HA ASN A 82 9.258 -6.974 -2.444 1.00 0.00 H new ATOM 0 HB2 ASN A 82 12.245 -7.036 -2.086 1.00 0.00 H new ATOM 0 HB3 ASN A 82 11.391 -8.562 -1.965 1.00 0.00 H new ATOM 0 HD21 ASN A 82 11.383 -9.561 -3.990 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.223 -8.698 -5.523 1.00 0.00 H new ATOM 1249 N ASP A 83 10.813 -7.187 0.490 1.00 0.00 N ATOM 1250 CA ASP A 83 10.696 -7.676 1.853 1.00 0.00 C ATOM 1251 C ASP A 83 9.456 -7.061 2.506 1.00 0.00 C ATOM 1252 O ASP A 83 8.797 -7.704 3.322 1.00 0.00 O ATOM 1253 CB ASP A 83 11.916 -7.278 2.687 1.00 0.00 C ATOM 1254 CG ASP A 83 12.751 -8.448 3.211 1.00 0.00 C ATOM 1255 OD1 ASP A 83 12.451 -9.589 2.797 1.00 0.00 O ATOM 1256 OD2 ASP A 83 13.670 -8.176 4.012 1.00 0.00 O ATOM 0 H ASP A 83 11.675 -6.679 0.291 1.00 0.00 H new ATOM 0 HA ASP A 83 10.623 -8.763 1.817 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.557 -6.636 2.082 1.00 0.00 H new ATOM 0 HB3 ASP A 83 11.579 -6.683 3.536 1.00 0.00 H new ATOM 1261 N TRP A 84 9.176 -5.824 2.122 1.00 0.00 N ATOM 1262 CA TRP A 84 8.027 -5.116 2.660 1.00 0.00 C ATOM 1263 C TRP A 84 6.772 -5.918 2.312 1.00 0.00 C ATOM 1264 O TRP A 84 5.840 -5.996 3.110 1.00 0.00 O ATOM 1265 CB TRP A 84 7.980 -3.676 2.143 1.00 0.00 C ATOM 1266 CG TRP A 84 8.402 -2.630 3.177 1.00 0.00 C ATOM 1267 CD1 TRP A 84 9.221 -1.584 3.004 1.00 0.00 C ATOM 1268 CD2 TRP A 84 7.989 -2.571 4.558 1.00 0.00 C ATOM 1269 NE1 TRP A 84 9.366 -0.858 4.169 1.00 0.00 N ATOM 1270 CE2 TRP A 84 8.593 -1.477 5.144 1.00 0.00 C ATOM 1271 CE3 TRP A 84 7.133 -3.413 5.289 1.00 0.00 C ATOM 1272 CZ2 TRP A 84 8.407 -1.125 6.486 1.00 0.00 C ATOM 1273 CZ3 TRP A 84 6.957 -3.048 6.629 1.00 0.00 C ATOM 1274 CH2 TRP A 84 7.558 -1.950 7.234 1.00 0.00 C ATOM 0 H TRP A 84 9.725 -5.294 1.445 1.00 0.00 H new ATOM 0 HA TRP A 84 8.097 -5.034 3.745 1.00 0.00 H new ATOM 0 HB2 TRP A 84 8.629 -3.592 1.271 1.00 0.00 H new ATOM 0 HB3 TRP A 84 6.967 -3.454 1.809 1.00 0.00 H new ATOM 0 HD1 TRP A 84 9.707 -1.340 2.071 1.00 0.00 H new ATOM 0 HE1 TRP A 84 9.936 -0.021 4.292 1.00 0.00 H new ATOM 0 HE3 TRP A 84 6.649 -4.274 4.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 8.892 -0.264 6.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 6.309 -3.663 7.236 1.00 0.00 H new ATOM 0 HH2 TRP A 84 7.371 -1.734 8.276 1.00 0.00 H new ATOM 1285 N GLU A 85 6.789 -6.493 1.118 1.00 0.00 N ATOM 1286 CA GLU A 85 5.663 -7.287 0.655 1.00 0.00 C ATOM 1287 C GLU A 85 5.459 -8.501 1.563 1.00 0.00 C ATOM 1288 O GLU A 85 4.331 -8.819 1.937 1.00 0.00 O ATOM 1289 CB GLU A 85 5.858 -7.717 -0.800 1.00 0.00 C ATOM 1290 CG GLU A 85 5.737 -9.236 -0.944 1.00 0.00 C ATOM 1291 CD GLU A 85 7.114 -9.902 -0.912 1.00 0.00 C ATOM 1292 OE1 GLU A 85 7.937 -9.544 -1.782 1.00 0.00 O ATOM 1293 OE2 GLU A 85 7.312 -10.753 -0.018 1.00 0.00 O ATOM 0 H GLU A 85 7.564 -6.425 0.458 1.00 0.00 H new ATOM 0 HA GLU A 85 4.766 -6.670 0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.115 -7.228 -1.430 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.837 -7.392 -1.151 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.119 -9.633 -0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.234 -9.477 -1.881 1.00 0.00 H new ATOM 1300 N THR A 86 6.568 -9.147 1.892 1.00 0.00 N ATOM 1301 CA THR A 86 6.525 -10.319 2.750 1.00 0.00 C ATOM 1302 C THR A 86 6.006 -9.944 4.140 1.00 0.00 C ATOM 1303 O THR A 86 5.341 -10.745 4.794 1.00 0.00 O ATOM 1304 CB THR A 86 7.923 -10.940 2.771 1.00 0.00 C ATOM 1305 OG1 THR A 86 7.726 -12.256 2.261 1.00 0.00 O ATOM 1306 CG2 THR A 86 8.442 -11.166 4.193 1.00 0.00 C ATOM 0 H THR A 86 7.502 -8.881 1.580 1.00 0.00 H new ATOM 0 HA THR A 86 5.828 -11.064 2.367 1.00 0.00 H new ATOM 0 HB THR A 86 8.615 -10.294 2.230 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.498 -12.207 1.309 1.00 0.00 H new ATOM 0 HG21 THR A 86 9.437 -11.608 4.151 1.00 0.00 H new ATOM 0 HG22 THR A 86 8.491 -10.212 4.718 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.768 -11.839 4.724 1.00 0.00 H new ATOM 1314 N LYS A 87 6.329 -8.726 4.549 1.00 0.00 N ATOM 1315 CA LYS A 87 5.904 -8.236 5.848 1.00 0.00 C ATOM 1316 C LYS A 87 4.407 -7.922 5.805 1.00 0.00 C ATOM 1317 O LYS A 87 3.673 -8.250 6.735 1.00 0.00 O ATOM 1318 CB LYS A 87 6.768 -7.050 6.283 1.00 0.00 C ATOM 1319 CG LYS A 87 8.256 -7.399 6.206 1.00 0.00 C ATOM 1320 CD LYS A 87 9.097 -6.155 5.916 1.00 0.00 C ATOM 1321 CE LYS A 87 10.011 -5.823 7.098 1.00 0.00 C ATOM 1322 NZ LYS A 87 11.368 -5.474 6.621 1.00 0.00 N ATOM 0 H LYS A 87 6.880 -8.064 4.003 1.00 0.00 H new ATOM 0 HA LYS A 87 6.048 -9.002 6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.559 -6.190 5.646 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.510 -6.762 7.302 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.577 -7.848 7.146 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.419 -8.142 5.426 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.698 -6.318 5.022 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.442 -5.309 5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.594 -4.992 7.666 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.065 -6.676 7.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.976 -5.251 7.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.770 -6.278 6.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.313 -4.646 5.994 1.00 0.00 H new ATOM 1336 N PHE A 88 3.999 -7.289 4.715 1.00 0.00 N ATOM 1337 CA PHE A 88 2.603 -6.927 4.538 1.00 0.00 C ATOM 1338 C PHE A 88 1.768 -8.143 4.130 1.00 0.00 C ATOM 1339 O PHE A 88 0.622 -8.285 4.555 1.00 0.00 O ATOM 1340 CB PHE A 88 2.549 -5.888 3.416 1.00 0.00 C ATOM 1341 CG PHE A 88 2.564 -4.439 3.909 1.00 0.00 C ATOM 1342 CD1 PHE A 88 3.349 -4.088 4.962 1.00 0.00 C ATOM 1343 CD2 PHE A 88 1.793 -3.504 3.293 1.00 0.00 C ATOM 1344 CE1 PHE A 88 3.364 -2.744 5.419 1.00 0.00 C ATOM 1345 CE2 PHE A 88 1.807 -2.159 3.750 1.00 0.00 C ATOM 1346 CZ PHE A 88 2.592 -1.808 4.804 1.00 0.00 C ATOM 0 H PHE A 88 4.611 -7.017 3.945 1.00 0.00 H new ATOM 0 HA PHE A 88 2.199 -6.539 5.473 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.398 -6.043 2.750 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.647 -6.051 2.827 1.00 0.00 H new ATOM 0 HD1 PHE A 88 3.961 -4.832 5.451 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.170 -3.784 2.456 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.988 -2.465 6.255 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.195 -1.416 3.261 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.602 -0.786 5.153 1.00 0.00 H new ATOM 1356 N GLU A 89 2.375 -8.991 3.312 1.00 0.00 N ATOM 1357 CA GLU A 89 1.703 -10.190 2.843 1.00 0.00 C ATOM 1358 C GLU A 89 1.591 -11.213 3.975 1.00 0.00 C ATOM 1359 O GLU A 89 0.646 -11.999 4.016 1.00 0.00 O ATOM 1360 CB GLU A 89 2.426 -10.786 1.634 1.00 0.00 C ATOM 1361 CG GLU A 89 2.266 -9.892 0.403 1.00 0.00 C ATOM 1362 CD GLU A 89 1.181 -10.433 -0.531 1.00 0.00 C ATOM 1363 OE1 GLU A 89 0.202 -10.996 0.004 1.00 0.00 O ATOM 1364 OE2 GLU A 89 1.356 -10.270 -1.758 1.00 0.00 O ATOM 0 H GLU A 89 3.326 -8.871 2.962 1.00 0.00 H new ATOM 0 HA GLU A 89 0.696 -9.918 2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.485 -10.909 1.863 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.029 -11.778 1.421 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.010 -8.880 0.715 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.214 -9.831 -0.132 1.00 0.00 H new ATOM 1371 N ALA A 90 2.571 -11.171 4.866 1.00 0.00 N ATOM 1372 CA ALA A 90 2.595 -12.085 5.996 1.00 0.00 C ATOM 1373 C ALA A 90 2.017 -11.383 7.226 1.00 0.00 C ATOM 1374 O ALA A 90 2.319 -11.758 8.358 1.00 0.00 O ATOM 1375 CB ALA A 90 4.025 -12.578 6.224 1.00 0.00 C ATOM 0 H ALA A 90 3.354 -10.519 4.828 1.00 0.00 H new ATOM 0 HA ALA A 90 1.977 -12.960 5.795 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.043 -13.263 7.071 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.378 -13.095 5.332 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.674 -11.727 6.432 1.00 0.00 H new ATOM 1381 N LYS A 91 1.197 -10.377 6.963 1.00 0.00 N ATOM 1382 CA LYS A 91 0.574 -9.619 8.035 1.00 0.00 C ATOM 1383 C LYS A 91 -0.776 -9.080 7.556 1.00 0.00 C ATOM 1384 O LYS A 91 -1.824 -9.498 8.045 1.00 0.00 O ATOM 1385 CB LYS A 91 1.523 -8.533 8.546 1.00 0.00 C ATOM 1386 CG LYS A 91 2.772 -9.150 9.179 1.00 0.00 C ATOM 1387 CD LYS A 91 3.606 -8.087 9.896 1.00 0.00 C ATOM 1388 CE LYS A 91 5.012 -8.606 10.201 1.00 0.00 C ATOM 1389 NZ LYS A 91 5.170 -8.857 11.651 1.00 0.00 N ATOM 0 H LYS A 91 0.949 -10.069 6.023 1.00 0.00 H new ATOM 0 HA LYS A 91 0.375 -10.264 8.891 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.813 -7.881 7.722 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.009 -7.911 9.279 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.480 -9.926 9.886 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.374 -9.631 8.409 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.671 -7.192 9.277 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.112 -7.797 10.824 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.195 -9.525 9.645 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.754 -7.880 9.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.130 -9.209 11.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.016 -7.972 12.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.475 -9.567 11.958 1.00 0.00 H new ATOM 1403 N TYR A 92 -0.705 -8.160 6.606 1.00 0.00 N ATOM 1404 CA TYR A 92 -1.908 -7.559 6.055 1.00 0.00 C ATOM 1405 C TYR A 92 -2.558 -8.482 5.022 1.00 0.00 C ATOM 1406 O TYR A 92 -1.877 -9.026 4.154 1.00 0.00 O ATOM 1407 CB TYR A 92 -1.458 -6.273 5.360 1.00 0.00 C ATOM 1408 CG TYR A 92 -0.990 -5.178 6.320 1.00 0.00 C ATOM 1409 CD1 TYR A 92 -1.599 -5.032 7.550 1.00 0.00 C ATOM 1410 CD2 TYR A 92 0.041 -4.336 5.956 1.00 0.00 C ATOM 1411 CE1 TYR A 92 -1.159 -4.001 8.453 1.00 0.00 C ATOM 1412 CE2 TYR A 92 0.482 -3.305 6.860 1.00 0.00 C ATOM 1413 CZ TYR A 92 -0.140 -3.188 8.064 1.00 0.00 C ATOM 1414 OH TYR A 92 0.276 -2.215 8.918 1.00 0.00 O ATOM 0 H TYR A 92 0.167 -7.816 6.203 1.00 0.00 H new ATOM 0 HA TYR A 92 -2.639 -7.374 6.842 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.647 -6.509 4.671 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.283 -5.888 4.761 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.406 -5.691 7.835 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.517 -4.450 4.993 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -1.627 -3.876 9.418 1.00 0.00 H new ATOM 0 HE2 TYR A 92 1.288 -2.640 6.588 1.00 0.00 H new ATOM 0 HH TYR A 92 1.011 -1.712 8.508 1.00 0.00 H new ATOM 1424 N PRO A 93 -3.903 -8.635 5.153 1.00 0.00 N ATOM 1425 CA PRO A 93 -4.653 -9.482 4.242 1.00 0.00 C ATOM 1426 C PRO A 93 -4.828 -8.805 2.881 1.00 0.00 C ATOM 1427 O PRO A 93 -4.967 -7.585 2.805 1.00 0.00 O ATOM 1428 CB PRO A 93 -5.973 -9.747 4.947 1.00 0.00 C ATOM 1429 CG PRO A 93 -6.102 -8.669 6.010 1.00 0.00 C ATOM 1430 CD PRO A 93 -4.743 -8.006 6.169 1.00 0.00 C ATOM 0 HA PRO A 93 -4.140 -10.418 4.020 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.806 -9.705 4.245 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.984 -10.741 5.395 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.853 -7.935 5.720 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.428 -9.102 6.955 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.808 -6.928 6.018 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.340 -8.164 7.169 1.00 0.00 H new ATOM 1438 N VAL A 94 -4.815 -9.626 1.841 1.00 0.00 N ATOM 1439 CA VAL A 94 -4.970 -9.121 0.488 1.00 0.00 C ATOM 1440 C VAL A 94 -6.451 -9.146 0.105 1.00 0.00 C ATOM 1441 O VAL A 94 -7.023 -10.214 -0.107 1.00 0.00 O ATOM 1442 CB VAL A 94 -4.091 -9.923 -0.474 1.00 0.00 C ATOM 1443 CG1 VAL A 94 -4.126 -9.321 -1.880 1.00 0.00 C ATOM 1444 CG2 VAL A 94 -2.655 -10.018 0.046 1.00 0.00 C ATOM 0 H VAL A 94 -4.700 -10.637 1.908 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.636 -8.085 0.427 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.494 -10.934 -0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.493 -9.910 -2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.150 -9.329 -2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.760 -8.295 -1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.051 -10.593 -0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.238 -9.016 0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.652 -10.513 1.017 1.00 0.00 H new ATOM 1454 N VAL A 95 -7.031 -7.957 0.030 1.00 0.00 N ATOM 1455 CA VAL A 95 -8.434 -7.829 -0.323 1.00 0.00 C ATOM 1456 C VAL A 95 -8.573 -7.817 -1.847 1.00 0.00 C ATOM 1457 O VAL A 95 -9.685 -7.780 -2.372 1.00 0.00 O ATOM 1458 CB VAL A 95 -9.030 -6.586 0.341 1.00 0.00 C ATOM 1459 CG1 VAL A 95 -8.553 -6.456 1.789 1.00 0.00 C ATOM 1460 CG2 VAL A 95 -8.700 -5.325 -0.460 1.00 0.00 C ATOM 0 H VAL A 95 -6.554 -7.073 0.208 1.00 0.00 H new ATOM 0 HA VAL A 95 -9.000 -8.683 0.049 1.00 0.00 H new ATOM 0 HB VAL A 95 -10.114 -6.700 0.354 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.991 -5.565 2.238 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -8.861 -7.336 2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.466 -6.375 1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -9.135 -4.456 0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -7.618 -5.204 -0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -9.111 -5.415 -1.466 1.00 0.00 H new ATOM 1470 N GLY A 96 -7.429 -7.849 -2.514 1.00 0.00 N ATOM 1471 CA GLY A 96 -7.410 -7.842 -3.967 1.00 0.00 C ATOM 1472 C GLY A 96 -6.085 -7.287 -4.495 1.00 0.00 C ATOM 1473 O GLY A 96 -5.171 -7.011 -3.720 1.00 0.00 O ATOM 0 H GLY A 96 -6.509 -7.880 -2.075 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.559 -8.855 -4.341 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -8.237 -7.239 -4.342 1.00 0.00 H new ATOM 1477 N ARG A 97 -6.024 -7.141 -5.810 1.00 0.00 N ATOM 1478 CA ARG A 97 -4.827 -6.624 -6.451 1.00 0.00 C ATOM 1479 C ARG A 97 -5.158 -5.369 -7.261 1.00 0.00 C ATOM 1480 O ARG A 97 -6.157 -5.335 -7.978 1.00 0.00 O ATOM 1481 CB ARG A 97 -4.202 -7.670 -7.376 1.00 0.00 C ATOM 1482 CG ARG A 97 -4.842 -7.626 -8.765 1.00 0.00 C ATOM 1483 CD ARG A 97 -4.122 -6.624 -9.669 1.00 0.00 C ATOM 1484 NE ARG A 97 -3.410 -7.339 -10.752 1.00 0.00 N ATOM 1485 CZ ARG A 97 -2.829 -6.734 -11.797 1.00 0.00 C ATOM 1486 NH1 ARG A 97 -2.872 -5.399 -11.907 1.00 0.00 N ATOM 1487 NH2 ARG A 97 -2.205 -7.463 -12.732 1.00 0.00 N ATOM 0 H ARG A 97 -6.784 -7.372 -6.449 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.112 -6.376 -5.667 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -3.130 -7.492 -7.460 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -4.328 -8.663 -6.945 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.809 -8.618 -9.216 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.893 -7.351 -8.676 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -4.841 -5.925 -10.095 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -3.415 -6.037 -9.084 1.00 0.00 H new ATOM 0 HE ARG A 97 -3.358 -8.356 -10.700 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -3.347 -4.844 -11.195 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -2.430 -4.938 -12.702 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -2.172 -8.479 -12.649 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -1.763 -7.002 -13.527 1.00 0.00 H new ATOM 1501 N VAL A 98 -4.301 -4.369 -7.120 1.00 0.00 N ATOM 1502 CA VAL A 98 -4.489 -3.116 -7.830 1.00 0.00 C ATOM 1503 C VAL A 98 -4.563 -3.392 -9.333 1.00 0.00 C ATOM 1504 O VAL A 98 -3.693 -4.061 -9.888 1.00 0.00 O ATOM 1505 CB VAL A 98 -3.380 -2.130 -7.457 1.00 0.00 C ATOM 1506 CG1 VAL A 98 -3.301 -0.985 -8.468 1.00 0.00 C ATOM 1507 CG2 VAL A 98 -3.576 -1.596 -6.037 1.00 0.00 C ATOM 0 H VAL A 98 -3.474 -4.401 -6.524 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.430 -2.650 -7.538 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.432 -2.667 -7.485 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.505 -0.299 -8.179 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.091 -1.388 -9.459 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.251 -0.451 -8.488 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.774 -0.897 -5.797 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.536 -1.084 -5.970 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.558 -2.426 -5.330 1.00 0.00 H new ATOM 1517 N VAL A 99 -5.610 -2.862 -9.949 1.00 0.00 N ATOM 1518 CA VAL A 99 -5.808 -3.044 -11.377 1.00 0.00 C ATOM 1519 C VAL A 99 -5.538 -1.721 -12.097 1.00 0.00 C ATOM 1520 O VAL A 99 -4.717 -1.664 -13.011 1.00 0.00 O ATOM 1521 CB VAL A 99 -7.210 -3.595 -11.645 1.00 0.00 C ATOM 1522 CG1 VAL A 99 -7.180 -5.116 -11.803 1.00 0.00 C ATOM 1523 CG2 VAL A 99 -8.184 -3.177 -10.541 1.00 0.00 C ATOM 0 H VAL A 99 -6.329 -2.307 -9.486 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.104 -3.778 -11.770 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.564 -3.168 -12.583 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.189 -5.482 -11.993 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.534 -5.382 -12.640 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.795 -5.569 -10.889 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -9.173 -3.582 -10.756 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.835 -3.562 -9.583 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -8.239 -2.089 -10.497 1.00 0.00 H new ATOM 1533 N SER A 100 -6.246 -0.690 -11.658 1.00 0.00 N ATOM 1534 CA SER A 100 -6.093 0.628 -12.250 1.00 0.00 C ATOM 1535 C SER A 100 -6.247 0.542 -13.769 1.00 0.00 C ATOM 1536 O SER A 100 -6.523 1.544 -14.427 1.00 0.00 O ATOM 1537 CB SER A 100 -4.738 1.241 -11.887 1.00 0.00 C ATOM 1538 OG SER A 100 -4.690 2.636 -12.173 1.00 0.00 O ATOM 0 H SER A 100 -6.926 -0.741 -10.900 1.00 0.00 H new ATOM 0 HA SER A 100 -6.873 1.275 -11.849 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.540 1.081 -10.827 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.949 0.730 -12.439 1.00 0.00 H new ATOM 0 HG SER A 100 -3.810 2.990 -11.926 1.00 0.00 H new TER 1544 SER A 100