USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 801 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 78 LYS NZ :NH3+ -172:sc= 0.109 (180deg=0) USER MOD Set 1.2: A 86 THR OG1 : rot -80:sc= -3.25 USER MOD Set 2.1: A 71 ASN : amide:sc= -6.99! C(o=-6.8!,f=-9.8!) USER MOD Set 2.2: A 90 SER OG : rot 130:sc= 0.215 USER MOD Set 3.1: A 19 ASN :FLIP amide:sc= -0.0523 F(o=-3.3,f=0.079) USER MOD Set 3.2: A 57 LYS NZ :NH3+ -171:sc= 0.131 (180deg=0) USER MOD Set 4.1: A 33 ASN : amide:sc= -0.544 K(o=-0.22,f=-2.1) USER MOD Set 4.2: A 36 LYS NZ :NH3+ 174:sc= 0.326 (180deg=0.31) USER MOD Set 5.1: A 35 SER OG : rot -140:sc= 0.54 USER MOD Set 5.2: A 38 ASN :FLIP amide:sc= 0.147 F(o=-1.4,f=0.69) USER MOD Single : A 8 THR OG1 : rot 55:sc= 0.403 USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.96 USER MOD Single : A 21 SER OG : rot -30:sc= -1.31 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.12) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.0368 F(o=-0.83,f=-0.037) USER MOD Single : A 56 SER OG : rot -80:sc= 0.667! USER MOD Single : A 64 ASN :FLIP amide:sc= -1.79! C(o=-2.3!,f=-1.8!) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.902 F(o=-1.6,f=-0.9) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -2.77 K(o=-2.8,f=-3.3) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.0519 F(o=-0.88,f=-0.052) USER MOD Single : A 84 MET CE :methyl 171:sc= -4.72! (180deg=-5.06!) USER MOD Single : A 91 MET CE :methyl -175:sc= -3.03 (180deg=-3.08!) USER MOD Single : A 92 SER OG : rot 81:sc= 1.22 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN :FLIP amide:sc= -3.04! C(o=-5.5!,f=-3!) USER MOD Single : A 97 LYS NZ :NH3+ -133:sc= 1.02 (180deg=-0.321) USER MOD Single : A 100 MET CE :methyl -169:sc= -6.85! (180deg=-7.97!) USER MOD Single : A 102 GLN : amide:sc= -0.0924 X(o=-0.092,f=-0.092) USER MOD Single : A 110 SER OG : rot 42:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 -4.082 -11.993 -16.002 1.00 0.00 N ATOM 2 CA GLY A 7 -3.305 -10.856 -15.546 1.00 0.00 C ATOM 3 C GLY A 7 -3.877 -10.244 -14.283 1.00 0.00 C ATOM 4 O GLY A 7 -3.985 -9.024 -14.171 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.277 -11.170 -15.363 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.273 -10.101 -16.332 1.00 0.00 H new ATOM 8 N THR A 8 -4.249 -11.098 -13.335 1.00 0.00 N ATOM 9 CA THR A 8 -4.821 -10.645 -12.071 1.00 0.00 C ATOM 10 C THR A 8 -3.784 -9.906 -11.229 1.00 0.00 C ATOM 11 O THR A 8 -3.390 -10.371 -10.159 1.00 0.00 O ATOM 12 CB THR A 8 -5.379 -11.835 -11.289 1.00 0.00 C ATOM 13 OG1 THR A 8 -4.360 -12.780 -11.020 1.00 0.00 O ATOM 14 CG2 THR A 8 -6.495 -12.556 -12.012 1.00 0.00 C ATOM 0 H THR A 8 -4.164 -12.111 -13.418 1.00 0.00 H new ATOM 0 HA THR A 8 -5.631 -9.952 -12.297 1.00 0.00 H new ATOM 0 HB THR A 8 -5.779 -11.413 -10.367 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.614 -12.336 -10.564 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.845 -13.389 -11.402 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.319 -11.865 -12.190 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.126 -12.934 -12.965 1.00 0.00 H new ATOM 22 N ARG A 9 -3.346 -8.749 -11.718 1.00 0.00 N ATOM 23 CA ARG A 9 -2.356 -7.940 -11.011 1.00 0.00 C ATOM 24 C ARG A 9 -1.873 -6.788 -11.889 1.00 0.00 C ATOM 25 O ARG A 9 -1.213 -7.003 -12.904 1.00 0.00 O ATOM 26 CB ARG A 9 -1.163 -8.798 -10.579 1.00 0.00 C ATOM 27 CG ARG A 9 -1.176 -9.145 -9.097 1.00 0.00 C ATOM 28 CD ARG A 9 0.120 -8.737 -8.411 1.00 0.00 C ATOM 29 NE ARG A 9 0.932 -9.895 -8.039 1.00 0.00 N ATOM 30 CZ ARG A 9 1.772 -10.511 -8.867 1.00 0.00 C ATOM 31 NH1 ARG A 9 1.912 -10.092 -10.118 1.00 0.00 N ATOM 32 NH2 ARG A 9 2.474 -11.553 -8.443 1.00 0.00 N ATOM 0 H ARG A 9 -3.661 -8.350 -12.602 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.834 -7.529 -10.122 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.158 -9.720 -11.161 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.240 -8.268 -10.813 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.016 -8.646 -8.614 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.330 -10.217 -8.976 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.694 -8.091 -9.075 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.110 -8.154 -7.519 1.00 0.00 H new ATOM 0 HE ARG A 9 0.849 -10.252 -7.087 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.374 -9.292 -10.451 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.558 -10.570 -10.747 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.370 -11.882 -7.483 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.118 -12.026 -9.077 1.00 0.00 H new ATOM 46 N GLU A 10 -2.209 -5.565 -11.492 1.00 0.00 N ATOM 47 CA GLU A 10 -1.809 -4.382 -12.246 1.00 0.00 C ATOM 48 C GLU A 10 -1.128 -3.360 -11.339 1.00 0.00 C ATOM 49 O GLU A 10 -1.682 -2.958 -10.316 1.00 0.00 O ATOM 50 CB GLU A 10 -3.024 -3.749 -12.925 1.00 0.00 C ATOM 51 CG GLU A 10 -4.160 -3.430 -11.966 1.00 0.00 C ATOM 52 CD GLU A 10 -5.275 -2.641 -12.625 1.00 0.00 C ATOM 53 OE1 GLU A 10 -5.010 -1.983 -13.653 1.00 0.00 O ATOM 54 OE2 GLU A 10 -6.413 -2.684 -12.114 1.00 0.00 O ATOM 0 H GLU A 10 -2.756 -5.367 -10.654 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.096 -4.694 -13.009 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.713 -2.832 -13.425 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.391 -4.425 -13.698 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.565 -4.360 -11.566 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.769 -2.863 -11.121 1.00 0.00 H new ATOM 61 N PHE A 11 0.073 -2.943 -11.726 1.00 0.00 N ATOM 62 CA PHE A 11 0.830 -1.965 -10.951 1.00 0.00 C ATOM 63 C PHE A 11 0.348 -0.550 -11.254 1.00 0.00 C ATOM 64 O PHE A 11 -0.135 -0.271 -12.353 1.00 0.00 O ATOM 65 CB PHE A 11 2.323 -2.084 -11.257 1.00 0.00 C ATOM 66 CG PHE A 11 2.923 -3.391 -10.819 1.00 0.00 C ATOM 67 CD1 PHE A 11 2.742 -3.851 -9.525 1.00 0.00 C ATOM 68 CD2 PHE A 11 3.668 -4.156 -11.701 1.00 0.00 C ATOM 69 CE1 PHE A 11 3.293 -5.053 -9.119 1.00 0.00 C ATOM 70 CE2 PHE A 11 4.223 -5.358 -11.302 1.00 0.00 C ATOM 71 CZ PHE A 11 4.035 -5.806 -10.008 1.00 0.00 C ATOM 0 H PHE A 11 0.543 -3.267 -12.571 1.00 0.00 H new ATOM 0 HA PHE A 11 0.668 -2.170 -9.893 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.477 -1.964 -12.329 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.853 -1.268 -10.766 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.164 -3.265 -8.826 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.817 -3.809 -12.713 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.143 -5.402 -8.108 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.802 -5.945 -12.000 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.468 -6.744 -9.692 1.00 0.00 H new ATOM 81 N LEU A 12 0.478 0.340 -10.277 1.00 0.00 N ATOM 82 CA LEU A 12 0.051 1.724 -10.447 1.00 0.00 C ATOM 83 C LEU A 12 1.028 2.691 -9.787 1.00 0.00 C ATOM 84 O LEU A 12 1.523 2.439 -8.688 1.00 0.00 O ATOM 85 CB LEU A 12 -1.349 1.921 -9.864 1.00 0.00 C ATOM 86 CG LEU A 12 -2.372 0.854 -10.256 1.00 0.00 C ATOM 87 CD1 LEU A 12 -3.510 0.808 -9.248 1.00 0.00 C ATOM 88 CD2 LEU A 12 -2.908 1.120 -11.656 1.00 0.00 C ATOM 0 H LEU A 12 0.875 0.129 -9.361 1.00 0.00 H new ATOM 0 HA LEU A 12 0.030 1.938 -11.516 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.273 1.947 -8.777 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.723 2.895 -10.180 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.875 -0.116 -10.255 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.228 0.043 -9.544 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.113 0.570 -8.261 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.006 1.778 -9.215 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.635 0.352 -11.919 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.389 2.098 -11.682 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.085 1.101 -12.370 1.00 0.00 H new ATOM 100 N THR A 13 1.294 3.804 -10.464 1.00 0.00 N ATOM 101 CA THR A 13 2.205 4.820 -9.948 1.00 0.00 C ATOM 102 C THR A 13 1.460 6.126 -9.693 1.00 0.00 C ATOM 103 O THR A 13 0.634 6.544 -10.504 1.00 0.00 O ATOM 104 CB THR A 13 3.348 5.063 -10.936 1.00 0.00 C ATOM 105 OG1 THR A 13 3.895 3.835 -11.383 1.00 0.00 O ATOM 106 CG2 THR A 13 4.474 5.884 -10.350 1.00 0.00 C ATOM 0 H THR A 13 0.890 4.025 -11.374 1.00 0.00 H new ATOM 0 HA THR A 13 2.619 4.459 -9.006 1.00 0.00 H new ATOM 0 HB THR A 13 2.906 5.619 -11.763 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.623 4.012 -12.015 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.253 6.021 -11.100 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.092 6.857 -10.041 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.890 5.367 -9.485 1.00 0.00 H new ATOM 114 N PHE A 14 1.745 6.766 -8.562 1.00 0.00 N ATOM 115 CA PHE A 14 1.079 8.019 -8.220 1.00 0.00 C ATOM 116 C PHE A 14 2.044 9.022 -7.592 1.00 0.00 C ATOM 117 O PHE A 14 2.959 8.651 -6.858 1.00 0.00 O ATOM 118 CB PHE A 14 -0.087 7.759 -7.263 1.00 0.00 C ATOM 119 CG PHE A 14 -0.865 6.513 -7.579 1.00 0.00 C ATOM 120 CD1 PHE A 14 -1.495 6.366 -8.805 1.00 0.00 C ATOM 121 CD2 PHE A 14 -0.968 5.491 -6.650 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.212 5.221 -9.097 1.00 0.00 C ATOM 123 CE2 PHE A 14 -1.683 4.344 -6.937 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.306 4.209 -8.163 1.00 0.00 C ATOM 0 H PHE A 14 2.425 6.442 -7.874 1.00 0.00 H new ATOM 0 HA PHE A 14 0.701 8.449 -9.148 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.299 7.687 -6.246 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.763 8.614 -7.288 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.425 7.154 -9.540 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.484 5.592 -5.690 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.699 5.118 -10.056 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.755 3.554 -6.204 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.865 3.313 -8.390 1.00 0.00 H new ATOM 134 N GLU A 15 1.808 10.299 -7.877 1.00 0.00 N ATOM 135 CA GLU A 15 2.625 11.382 -7.338 1.00 0.00 C ATOM 136 C GLU A 15 1.855 12.108 -6.241 1.00 0.00 C ATOM 137 O GLU A 15 0.896 12.826 -6.521 1.00 0.00 O ATOM 138 CB GLU A 15 3.002 12.362 -8.451 1.00 0.00 C ATOM 139 CG GLU A 15 3.751 11.712 -9.602 1.00 0.00 C ATOM 140 CD GLU A 15 2.855 11.416 -10.790 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.632 11.261 -10.585 1.00 0.00 O ATOM 142 OE2 GLU A 15 3.376 11.339 -11.922 1.00 0.00 O ATOM 0 H GLU A 15 1.050 10.611 -8.484 1.00 0.00 H new ATOM 0 HA GLU A 15 3.539 10.963 -6.917 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.095 12.829 -8.836 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.617 13.158 -8.031 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.562 12.367 -9.918 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.207 10.784 -9.256 1.00 0.00 H new ATOM 149 N VAL A 16 2.260 11.900 -4.993 1.00 0.00 N ATOM 150 CA VAL A 16 1.582 12.521 -3.857 1.00 0.00 C ATOM 151 C VAL A 16 2.355 13.725 -3.322 1.00 0.00 C ATOM 152 O VAL A 16 3.383 13.568 -2.663 1.00 0.00 O ATOM 153 CB VAL A 16 1.359 11.515 -2.707 1.00 0.00 C ATOM 154 CG1 VAL A 16 0.003 11.747 -2.054 1.00 0.00 C ATOM 155 CG2 VAL A 16 1.472 10.080 -3.202 1.00 0.00 C ATOM 0 H VAL A 16 3.052 11.308 -4.741 1.00 0.00 H new ATOM 0 HA VAL A 16 0.615 12.859 -4.229 1.00 0.00 H new ATOM 0 HB VAL A 16 2.139 11.676 -1.963 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.139 11.030 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.039 12.760 -1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.785 11.618 -2.796 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.310 9.394 -2.370 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.721 9.900 -3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.466 9.916 -3.619 1.00 0.00 H new ATOM 165 N PRO A 17 1.869 14.953 -3.598 1.00 0.00 N ATOM 166 CA PRO A 17 2.515 16.183 -3.141 1.00 0.00 C ATOM 167 C PRO A 17 2.252 16.469 -1.665 1.00 0.00 C ATOM 168 O PRO A 17 1.210 17.020 -1.310 1.00 0.00 O ATOM 169 CB PRO A 17 1.879 17.283 -4.013 1.00 0.00 C ATOM 170 CG PRO A 17 0.982 16.579 -4.982 1.00 0.00 C ATOM 171 CD PRO A 17 0.660 15.245 -4.373 1.00 0.00 C ATOM 0 HA PRO A 17 3.599 16.119 -3.235 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.315 17.988 -3.401 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.644 17.856 -4.536 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.073 17.155 -5.158 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.474 16.456 -5.947 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.227 15.290 -3.741 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.471 14.486 -5.133 1.00 0.00 H new ATOM 179 N LEU A 18 3.205 16.104 -0.808 1.00 0.00 N ATOM 180 CA LEU A 18 3.068 16.338 0.628 1.00 0.00 C ATOM 181 C LEU A 18 3.644 17.690 1.021 1.00 0.00 C ATOM 182 O LEU A 18 4.022 17.909 2.171 1.00 0.00 O ATOM 183 CB LEU A 18 3.758 15.234 1.418 1.00 0.00 C ATOM 184 CG LEU A 18 5.278 15.293 1.385 1.00 0.00 C ATOM 185 CD1 LEU A 18 5.818 15.922 2.663 1.00 0.00 C ATOM 186 CD2 LEU A 18 5.862 13.904 1.184 1.00 0.00 C ATOM 0 H LEU A 18 4.075 15.648 -1.082 1.00 0.00 H new ATOM 0 HA LEU A 18 2.004 16.334 0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.427 15.285 2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.435 14.269 1.028 1.00 0.00 H new ATOM 0 HG LEU A 18 5.579 15.917 0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.907 15.955 2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.428 16.935 2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.507 15.327 3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.950 13.966 1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.551 13.257 2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.504 13.492 0.241 1.00 0.00 H new ATOM 198 N ASN A 19 3.695 18.591 0.051 1.00 0.00 N ATOM 199 CA ASN A 19 4.210 19.942 0.255 1.00 0.00 C ATOM 200 C ASN A 19 3.792 20.510 1.613 1.00 0.00 C ATOM 201 O ASN A 19 4.512 21.310 2.211 1.00 0.00 O ATOM 202 CB ASN A 19 3.710 20.851 -0.872 1.00 0.00 C ATOM 203 CG ASN A 19 2.247 21.240 -0.713 1.00 0.00 C ATOM 204 OD1 ASN A 19 1.377 20.249 -0.517 1.00 0.00 O flip ATOM 205 ND2 ASN A 19 1.901 22.420 -0.765 1.00 0.00 N flip ATOM 0 H ASN A 19 3.381 18.408 -0.902 1.00 0.00 H new ATOM 0 HA ASN A 19 5.299 19.897 0.241 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.320 21.754 -0.901 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.844 20.344 -1.828 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.598 23.150 -0.917 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.918 22.668 -0.656 1.00 0.00 H new ATOM 212 N ASP A 20 2.626 20.088 2.091 1.00 0.00 N ATOM 213 CA ASP A 20 2.112 20.550 3.376 1.00 0.00 C ATOM 214 C ASP A 20 1.439 19.410 4.135 1.00 0.00 C ATOM 215 O ASP A 20 0.543 19.638 4.947 1.00 0.00 O ATOM 216 CB ASP A 20 1.120 21.697 3.168 1.00 0.00 C ATOM 217 CG ASP A 20 1.177 22.719 4.288 1.00 0.00 C ATOM 218 OD1 ASP A 20 2.213 23.401 4.417 1.00 0.00 O ATOM 219 OD2 ASP A 20 0.183 22.833 5.036 1.00 0.00 O ATOM 0 H ASP A 20 2.019 19.426 1.608 1.00 0.00 H new ATOM 0 HA ASP A 20 2.953 20.909 3.969 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.332 22.189 2.219 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.110 21.293 3.099 1.00 0.00 H new ATOM 224 N SER A 21 1.878 18.186 3.864 1.00 0.00 N ATOM 225 CA SER A 21 1.322 17.008 4.521 1.00 0.00 C ATOM 226 C SER A 21 2.358 16.333 5.416 1.00 0.00 C ATOM 227 O SER A 21 2.012 15.535 6.287 1.00 0.00 O ATOM 228 CB SER A 21 0.808 16.014 3.479 1.00 0.00 C ATOM 229 OG SER A 21 -0.263 15.243 3.994 1.00 0.00 O ATOM 0 H SER A 21 2.619 17.983 3.193 1.00 0.00 H new ATOM 0 HA SER A 21 0.492 17.335 5.147 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.478 16.552 2.590 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.619 15.355 3.170 1.00 0.00 H new ATOM 0 HG SER A 21 -0.154 15.138 4.962 1.00 0.00 H new ATOM 235 N GLY A 22 3.635 16.657 5.199 1.00 0.00 N ATOM 236 CA GLY A 22 4.701 16.073 5.995 1.00 0.00 C ATOM 237 C GLY A 22 4.400 16.084 7.482 1.00 0.00 C ATOM 238 O GLY A 22 4.681 15.113 8.185 1.00 0.00 O ATOM 0 H GLY A 22 3.947 17.315 4.485 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.869 15.046 5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.626 16.620 5.812 1.00 0.00 H new ATOM 242 N SER A 23 3.825 17.182 7.961 1.00 0.00 N ATOM 243 CA SER A 23 3.481 17.309 9.373 1.00 0.00 C ATOM 244 C SER A 23 2.563 16.171 9.808 1.00 0.00 C ATOM 245 O SER A 23 2.601 15.730 10.956 1.00 0.00 O ATOM 246 CB SER A 23 2.807 18.657 9.639 1.00 0.00 C ATOM 247 OG SER A 23 2.653 18.885 11.030 1.00 0.00 O ATOM 0 H SER A 23 3.588 17.996 7.394 1.00 0.00 H new ATOM 0 HA SER A 23 4.402 17.254 9.954 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.402 19.458 9.200 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.832 18.682 9.153 1.00 0.00 H new ATOM 0 HG SER A 23 2.222 19.753 11.173 1.00 0.00 H new ATOM 253 N ALA A 24 1.741 15.700 8.876 1.00 0.00 N ATOM 254 CA ALA A 24 0.815 14.610 9.150 1.00 0.00 C ATOM 255 C ALA A 24 1.390 13.274 8.686 1.00 0.00 C ATOM 256 O ALA A 24 1.026 12.217 9.202 1.00 0.00 O ATOM 257 CB ALA A 24 -0.522 14.872 8.473 1.00 0.00 C ATOM 0 H ALA A 24 1.698 16.058 7.922 1.00 0.00 H new ATOM 0 HA ALA A 24 0.661 14.558 10.228 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.205 14.050 8.686 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.945 15.802 8.851 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.375 14.952 7.396 1.00 0.00 H new ATOM 263 N GLY A 25 2.286 13.332 7.707 1.00 0.00 N ATOM 264 CA GLY A 25 2.896 12.124 7.185 1.00 0.00 C ATOM 265 C GLY A 25 2.319 11.722 5.843 1.00 0.00 C ATOM 266 O GLY A 25 2.160 10.535 5.562 1.00 0.00 O ATOM 0 H GLY A 25 2.601 14.196 7.265 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.971 12.276 7.085 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.754 11.311 7.897 1.00 0.00 H new ATOM 270 N LEU A 26 2.009 12.724 5.019 1.00 0.00 N ATOM 271 CA LEU A 26 1.444 12.513 3.684 1.00 0.00 C ATOM 272 C LEU A 26 -0.076 12.380 3.720 1.00 0.00 C ATOM 273 O LEU A 26 -0.756 12.757 2.765 1.00 0.00 O ATOM 274 CB LEU A 26 2.051 11.281 3.003 1.00 0.00 C ATOM 275 CG LEU A 26 1.687 11.123 1.527 1.00 0.00 C ATOM 276 CD1 LEU A 26 2.097 12.356 0.739 1.00 0.00 C ATOM 277 CD2 LEU A 26 2.342 9.881 0.946 1.00 0.00 C ATOM 0 H LEU A 26 2.143 13.707 5.258 1.00 0.00 H new ATOM 0 HA LEU A 26 1.698 13.399 3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.136 11.331 3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.728 10.389 3.540 1.00 0.00 H new ATOM 0 HG LEU A 26 0.605 11.011 1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.829 12.224 -0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.582 13.230 1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.174 12.500 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.071 9.785 -0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.425 9.965 1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.000 9.001 1.490 1.00 0.00 H new ATOM 289 N GLY A 27 -0.612 11.846 4.813 1.00 0.00 N ATOM 290 CA GLY A 27 -2.044 11.684 4.920 1.00 0.00 C ATOM 291 C GLY A 27 -2.506 10.315 4.467 1.00 0.00 C ATOM 292 O GLY A 27 -3.348 10.201 3.578 1.00 0.00 O ATOM 0 H GLY A 27 -0.080 11.525 5.622 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.349 11.843 5.954 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.539 12.448 4.321 1.00 0.00 H new ATOM 296 N VAL A 28 -1.968 9.274 5.093 1.00 0.00 N ATOM 297 CA VAL A 28 -2.339 7.903 4.757 1.00 0.00 C ATOM 298 C VAL A 28 -1.722 6.907 5.736 1.00 0.00 C ATOM 299 O VAL A 28 -0.649 7.145 6.288 1.00 0.00 O ATOM 300 CB VAL A 28 -1.914 7.513 3.321 1.00 0.00 C ATOM 301 CG1 VAL A 28 -3.122 7.450 2.400 1.00 0.00 C ATOM 302 CG2 VAL A 28 -0.873 8.480 2.774 1.00 0.00 C ATOM 0 H VAL A 28 -1.274 9.353 5.836 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.426 7.862 4.823 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.462 6.522 3.365 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.800 7.174 1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.825 6.705 2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.608 8.425 2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.594 8.181 1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.288 9.488 2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.009 8.465 3.414 1.00 0.00 H new ATOM 312 N SER A 29 -2.408 5.783 5.935 1.00 0.00 N ATOM 313 CA SER A 29 -1.928 4.742 6.833 1.00 0.00 C ATOM 314 C SER A 29 -2.003 3.380 6.151 1.00 0.00 C ATOM 315 O SER A 29 -3.008 3.043 5.527 1.00 0.00 O ATOM 316 CB SER A 29 -2.751 4.729 8.123 1.00 0.00 C ATOM 317 OG SER A 29 -2.518 5.899 8.888 1.00 0.00 O ATOM 0 H SER A 29 -3.299 5.573 5.485 1.00 0.00 H new ATOM 0 HA SER A 29 -0.889 4.954 7.083 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.811 4.654 7.881 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.495 3.848 8.712 1.00 0.00 H new ATOM 0 HG SER A 29 -3.057 5.868 9.706 1.00 0.00 H new ATOM 323 N VAL A 30 -0.932 2.602 6.268 1.00 0.00 N ATOM 324 CA VAL A 30 -0.881 1.281 5.654 1.00 0.00 C ATOM 325 C VAL A 30 -0.587 0.201 6.689 1.00 0.00 C ATOM 326 O VAL A 30 -0.024 0.477 7.747 1.00 0.00 O ATOM 327 CB VAL A 30 0.178 1.216 4.539 1.00 0.00 C ATOM 328 CG1 VAL A 30 -0.318 1.928 3.290 1.00 0.00 C ATOM 329 CG2 VAL A 30 1.494 1.812 5.016 1.00 0.00 C ATOM 0 H VAL A 30 -0.090 2.863 6.781 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.863 1.100 5.218 1.00 0.00 H new ATOM 0 HB VAL A 30 0.351 0.170 4.288 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.444 1.872 2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.232 1.450 2.938 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.522 2.973 3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.230 1.757 4.214 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.341 2.854 5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.855 1.253 5.879 1.00 0.00 H new ATOM 339 N LYS A 31 -0.977 -1.030 6.374 1.00 0.00 N ATOM 340 CA LYS A 31 -0.764 -2.155 7.275 1.00 0.00 C ATOM 341 C LYS A 31 -0.099 -3.316 6.544 1.00 0.00 C ATOM 342 O LYS A 31 -0.423 -3.605 5.392 1.00 0.00 O ATOM 343 CB LYS A 31 -2.096 -2.612 7.880 1.00 0.00 C ATOM 344 CG LYS A 31 -3.059 -1.477 8.173 1.00 0.00 C ATOM 345 CD LYS A 31 -2.891 -0.952 9.589 1.00 0.00 C ATOM 346 CE LYS A 31 -1.993 0.275 9.621 1.00 0.00 C ATOM 347 NZ LYS A 31 -2.331 1.181 10.754 1.00 0.00 N ATOM 0 H LYS A 31 -1.443 -1.273 5.500 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.103 -1.827 8.077 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.573 -3.313 7.195 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.897 -3.155 8.804 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.895 -0.667 7.462 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.083 -1.822 8.032 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.867 -0.702 10.004 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.466 -1.732 10.220 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.952 -0.039 9.705 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.087 0.819 8.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.697 2.005 10.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.316 1.501 10.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.217 0.670 11.653 1.00 0.00 H new ATOM 361 N GLY A 32 0.832 -3.980 7.220 1.00 0.00 N ATOM 362 CA GLY A 32 1.529 -5.102 6.618 1.00 0.00 C ATOM 363 C GLY A 32 1.020 -6.437 7.122 1.00 0.00 C ATOM 364 O GLY A 32 0.586 -6.550 8.268 1.00 0.00 O ATOM 0 H GLY A 32 1.117 -3.761 8.175 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.415 -5.058 5.535 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.595 -5.020 6.830 1.00 0.00 H new ATOM 368 N ASN A 33 1.069 -7.451 6.263 1.00 0.00 N ATOM 369 CA ASN A 33 0.604 -8.783 6.631 1.00 0.00 C ATOM 370 C ASN A 33 1.523 -9.863 6.069 1.00 0.00 C ATOM 371 O ASN A 33 2.553 -9.569 5.463 1.00 0.00 O ATOM 372 CB ASN A 33 -0.822 -9.003 6.125 1.00 0.00 C ATOM 373 CG ASN A 33 -1.864 -8.710 7.187 1.00 0.00 C ATOM 374 OD1 ASN A 33 -2.527 -9.619 7.689 1.00 0.00 O ATOM 375 ND2 ASN A 33 -2.017 -7.437 7.532 1.00 0.00 N ATOM 0 H ASN A 33 1.425 -7.376 5.310 1.00 0.00 H new ATOM 0 HA ASN A 33 0.617 -8.853 7.719 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.000 -8.365 5.259 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.930 -10.034 5.788 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.706 -7.179 8.239 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.446 -6.717 7.090 1.00 0.00 H new ATOM 382 N ARG A 34 1.132 -11.118 6.274 1.00 0.00 N ATOM 383 CA ARG A 34 1.908 -12.254 5.790 1.00 0.00 C ATOM 384 C ARG A 34 1.003 -13.258 5.083 1.00 0.00 C ATOM 385 O ARG A 34 -0.220 -13.191 5.200 1.00 0.00 O ATOM 386 CB ARG A 34 2.634 -12.938 6.950 1.00 0.00 C ATOM 387 CG ARG A 34 3.503 -11.995 7.768 1.00 0.00 C ATOM 388 CD ARG A 34 2.796 -11.541 9.035 1.00 0.00 C ATOM 389 NE ARG A 34 2.955 -10.108 9.268 1.00 0.00 N ATOM 390 CZ ARG A 34 2.762 -9.522 10.449 1.00 0.00 C ATOM 391 NH1 ARG A 34 2.403 -10.242 11.504 1.00 0.00 N ATOM 392 NH2 ARG A 34 2.927 -8.212 10.572 1.00 0.00 N ATOM 0 H ARG A 34 0.280 -11.373 6.773 1.00 0.00 H new ATOM 0 HA ARG A 34 2.647 -11.884 5.079 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.897 -13.400 7.607 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.256 -13.741 6.555 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.436 -12.494 8.030 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.765 -11.125 7.165 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.735 -11.781 8.964 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.191 -12.093 9.888 1.00 0.00 H new ATOM 0 HE ARG A 34 3.230 -9.521 8.480 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.273 -11.250 11.414 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.257 -9.788 12.406 1.00 0.00 H new ATOM 0 HH21 ARG A 34 3.201 -7.654 9.763 1.00 0.00 H new ATOM 0 HH22 ARG A 34 2.780 -7.762 11.475 1.00 0.00 H new ATOM 406 N SER A 35 1.609 -14.187 4.352 1.00 0.00 N ATOM 407 CA SER A 35 0.852 -15.204 3.630 1.00 0.00 C ATOM 408 C SER A 35 -0.047 -15.988 4.582 1.00 0.00 C ATOM 409 O SER A 35 0.409 -16.504 5.601 1.00 0.00 O ATOM 410 CB SER A 35 1.802 -16.158 2.902 1.00 0.00 C ATOM 411 OG SER A 35 1.123 -17.325 2.473 1.00 0.00 O ATOM 0 H SER A 35 2.621 -14.257 4.244 1.00 0.00 H new ATOM 0 HA SER A 35 0.223 -14.701 2.895 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.242 -15.652 2.042 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.623 -16.434 3.564 1.00 0.00 H new ATOM 0 HG SER A 35 1.699 -18.106 2.606 1.00 0.00 H new ATOM 417 N LYS A 36 -1.330 -16.068 4.244 1.00 0.00 N ATOM 418 CA LYS A 36 -2.294 -16.787 5.072 1.00 0.00 C ATOM 419 C LYS A 36 -1.971 -18.279 5.132 1.00 0.00 C ATOM 420 O LYS A 36 -2.485 -18.996 5.991 1.00 0.00 O ATOM 421 CB LYS A 36 -3.710 -16.580 4.532 1.00 0.00 C ATOM 422 CG LYS A 36 -4.096 -15.116 4.382 1.00 0.00 C ATOM 423 CD LYS A 36 -4.259 -14.441 5.736 1.00 0.00 C ATOM 424 CE LYS A 36 -4.274 -12.925 5.607 1.00 0.00 C ATOM 425 NZ LYS A 36 -3.031 -12.308 6.146 1.00 0.00 N ATOM 0 H LYS A 36 -1.726 -15.645 3.405 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.232 -16.386 6.084 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.796 -17.071 3.563 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.420 -17.068 5.200 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.333 -14.595 3.804 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.028 -15.040 3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.186 -14.776 6.201 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.444 -14.743 6.394 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.389 -12.651 4.558 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.138 -12.524 6.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.036 -11.287 5.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.985 -12.461 7.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.202 -12.744 5.694 1.00 0.00 H new ATOM 439 N GLU A 37 -1.125 -18.742 4.216 1.00 0.00 N ATOM 440 CA GLU A 37 -0.744 -20.151 4.172 1.00 0.00 C ATOM 441 C GLU A 37 0.567 -20.402 4.917 1.00 0.00 C ATOM 442 O GLU A 37 0.921 -21.550 5.188 1.00 0.00 O ATOM 443 CB GLU A 37 -0.613 -20.614 2.720 1.00 0.00 C ATOM 444 CG GLU A 37 -0.615 -22.125 2.563 1.00 0.00 C ATOM 445 CD GLU A 37 -2.004 -22.684 2.320 1.00 0.00 C ATOM 446 OE1 GLU A 37 -2.552 -22.456 1.221 1.00 0.00 O ATOM 447 OE2 GLU A 37 -2.544 -23.350 3.229 1.00 0.00 O ATOM 0 H GLU A 37 -0.691 -18.164 3.496 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.528 -20.723 4.668 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.434 -20.195 2.138 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.311 -20.214 2.302 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.034 -22.401 1.732 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.196 -22.580 3.460 1.00 0.00 H new ATOM 454 N ASN A 38 1.288 -19.332 5.243 1.00 0.00 N ATOM 455 CA ASN A 38 2.559 -19.458 5.952 1.00 0.00 C ATOM 456 C ASN A 38 3.131 -18.088 6.302 1.00 0.00 C ATOM 457 O ASN A 38 2.782 -17.082 5.683 1.00 0.00 O ATOM 458 CB ASN A 38 3.566 -20.242 5.106 1.00 0.00 C ATOM 459 CG ASN A 38 3.411 -19.979 3.618 1.00 0.00 C ATOM 460 OD1 ASN A 38 3.535 -18.718 3.224 1.00 0.00 O flip ATOM 461 ND2 ASN A 38 3.185 -20.900 2.834 1.00 0.00 N flip ATOM 0 H ASN A 38 1.016 -18.373 5.029 1.00 0.00 H new ATOM 0 HA ASN A 38 2.372 -20.000 6.879 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.577 -19.977 5.414 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.443 -21.308 5.297 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.097 -21.855 3.181 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.085 -20.708 1.837 1.00 0.00 H new ATOM 468 N HIS A 39 4.015 -18.055 7.293 1.00 0.00 N ATOM 469 CA HIS A 39 4.638 -16.807 7.722 1.00 0.00 C ATOM 470 C HIS A 39 5.489 -16.212 6.604 1.00 0.00 C ATOM 471 O HIS A 39 6.711 -16.372 6.588 1.00 0.00 O ATOM 472 CB HIS A 39 5.497 -17.043 8.968 1.00 0.00 C ATOM 473 CG HIS A 39 4.841 -16.600 10.238 1.00 0.00 C ATOM 474 ND1 HIS A 39 5.528 -16.441 11.424 1.00 0.00 N ATOM 475 CD2 HIS A 39 3.554 -16.279 10.508 1.00 0.00 C ATOM 476 CE1 HIS A 39 4.693 -16.044 12.366 1.00 0.00 C ATOM 477 NE2 HIS A 39 3.488 -15.936 11.836 1.00 0.00 N ATOM 0 H HIS A 39 4.317 -18.878 7.815 1.00 0.00 H new ATOM 0 HA HIS A 39 3.847 -16.098 7.966 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.733 -18.105 9.041 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.443 -16.514 8.853 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.731 -16.291 9.808 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.951 -15.842 13.395 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.646 -15.645 12.332 1.00 0.00 H new ATOM 486 N ALA A 40 4.837 -15.525 5.673 1.00 0.00 N ATOM 487 CA ALA A 40 5.530 -14.905 4.552 1.00 0.00 C ATOM 488 C ALA A 40 4.994 -13.503 4.286 1.00 0.00 C ATOM 489 O ALA A 40 3.945 -13.336 3.664 1.00 0.00 O ATOM 490 CB ALA A 40 5.395 -15.768 3.307 1.00 0.00 C ATOM 0 H ALA A 40 3.827 -15.384 5.673 1.00 0.00 H new ATOM 0 HA ALA A 40 6.586 -14.820 4.809 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.917 -15.293 2.477 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.830 -16.749 3.496 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.341 -15.881 3.055 1.00 0.00 H new ATOM 496 N ASP A 41 5.721 -12.495 4.763 1.00 0.00 N ATOM 497 CA ASP A 41 5.318 -11.105 4.578 1.00 0.00 C ATOM 498 C ASP A 41 5.059 -10.798 3.105 1.00 0.00 C ATOM 499 O ASP A 41 5.938 -10.966 2.261 1.00 0.00 O ATOM 500 CB ASP A 41 6.394 -10.165 5.124 1.00 0.00 C ATOM 501 CG ASP A 41 6.700 -10.426 6.587 1.00 0.00 C ATOM 502 OD1 ASP A 41 6.382 -11.530 7.072 1.00 0.00 O ATOM 503 OD2 ASP A 41 7.258 -9.524 7.246 1.00 0.00 O ATOM 0 H ASP A 41 6.592 -12.616 5.280 1.00 0.00 H new ATOM 0 HA ASP A 41 4.391 -10.948 5.129 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.306 -10.281 4.538 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.067 -9.132 5.002 1.00 0.00 H new ATOM 508 N LEU A 42 3.843 -10.352 2.805 1.00 0.00 N ATOM 509 CA LEU A 42 3.464 -10.025 1.434 1.00 0.00 C ATOM 510 C LEU A 42 3.714 -8.550 1.135 1.00 0.00 C ATOM 511 O LEU A 42 4.165 -8.196 0.046 1.00 0.00 O ATOM 512 CB LEU A 42 1.991 -10.364 1.197 1.00 0.00 C ATOM 513 CG LEU A 42 1.583 -11.785 1.583 1.00 0.00 C ATOM 514 CD1 LEU A 42 0.070 -11.900 1.673 1.00 0.00 C ATOM 515 CD2 LEU A 42 2.137 -12.789 0.581 1.00 0.00 C ATOM 0 H LEU A 42 3.103 -10.209 3.492 1.00 0.00 H new ATOM 0 HA LEU A 42 4.081 -10.621 0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.377 -9.661 1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.764 -10.211 0.142 1.00 0.00 H new ATOM 0 HG LEU A 42 2.003 -12.010 2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.202 -12.919 1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.303 -11.208 2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.372 -11.656 0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.837 -13.796 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.746 -12.566 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.225 -12.725 0.565 1.00 0.00 H new ATOM 527 N GLY A 43 3.416 -7.697 2.107 1.00 0.00 N ATOM 528 CA GLY A 43 3.613 -6.270 1.929 1.00 0.00 C ATOM 529 C GLY A 43 2.650 -5.445 2.757 1.00 0.00 C ATOM 530 O GLY A 43 1.995 -5.964 3.661 1.00 0.00 O ATOM 0 H GLY A 43 3.041 -7.967 3.016 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.636 -6.011 2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.490 -6.018 0.876 1.00 0.00 H new ATOM 534 N ILE A 44 2.564 -4.154 2.447 1.00 0.00 N ATOM 535 CA ILE A 44 1.672 -3.249 3.168 1.00 0.00 C ATOM 536 C ILE A 44 0.423 -2.950 2.344 1.00 0.00 C ATOM 537 O ILE A 44 0.434 -3.074 1.119 1.00 0.00 O ATOM 538 CB ILE A 44 2.367 -1.916 3.537 1.00 0.00 C ATOM 539 CG1 ILE A 44 3.885 -2.024 3.377 1.00 0.00 C ATOM 540 CG2 ILE A 44 2.018 -1.513 4.960 1.00 0.00 C ATOM 541 CD1 ILE A 44 4.509 -3.118 4.219 1.00 0.00 C ATOM 0 H ILE A 44 3.101 -3.711 1.702 1.00 0.00 H new ATOM 0 HA ILE A 44 1.392 -3.757 4.091 1.00 0.00 H new ATOM 0 HB ILE A 44 2.006 -1.148 2.853 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.119 -2.207 2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.339 -1.069 3.643 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.514 -0.574 5.204 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.939 -1.387 5.048 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.350 -2.289 5.650 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.586 -3.135 4.054 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.307 -2.926 5.273 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.084 -4.081 3.937 1.00 0.00 H new ATOM 553 N PHE A 45 -0.653 -2.562 3.022 1.00 0.00 N ATOM 554 CA PHE A 45 -1.915 -2.254 2.351 1.00 0.00 C ATOM 555 C PHE A 45 -2.479 -0.920 2.820 1.00 0.00 C ATOM 556 O PHE A 45 -2.485 -0.631 4.017 1.00 0.00 O ATOM 557 CB PHE A 45 -2.946 -3.350 2.636 1.00 0.00 C ATOM 558 CG PHE A 45 -2.387 -4.744 2.600 1.00 0.00 C ATOM 559 CD1 PHE A 45 -1.522 -5.136 1.592 1.00 0.00 C ATOM 560 CD2 PHE A 45 -2.730 -5.661 3.579 1.00 0.00 C ATOM 561 CE1 PHE A 45 -1.008 -6.419 1.562 1.00 0.00 C ATOM 562 CE2 PHE A 45 -2.222 -6.945 3.554 1.00 0.00 C ATOM 563 CZ PHE A 45 -1.360 -7.325 2.545 1.00 0.00 C ATOM 0 H PHE A 45 -0.678 -2.453 4.036 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.712 -2.198 1.281 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.387 -3.172 3.617 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.752 -3.274 1.906 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.246 -4.432 0.821 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.403 -5.369 4.372 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.333 -6.713 0.772 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.499 -7.651 4.323 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.961 -8.328 2.524 1.00 0.00 H new ATOM 573 N VAL A 46 -2.985 -0.121 1.883 1.00 0.00 N ATOM 574 CA VAL A 46 -3.582 1.161 2.240 1.00 0.00 C ATOM 575 C VAL A 46 -4.759 0.916 3.176 1.00 0.00 C ATOM 576 O VAL A 46 -5.822 0.466 2.752 1.00 0.00 O ATOM 577 CB VAL A 46 -4.062 1.937 0.998 1.00 0.00 C ATOM 578 CG1 VAL A 46 -4.602 3.304 1.393 1.00 0.00 C ATOM 579 CG2 VAL A 46 -2.933 2.077 -0.014 1.00 0.00 C ATOM 0 H VAL A 46 -2.994 -0.335 0.886 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.821 1.766 2.732 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.871 1.373 0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.935 3.835 0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.442 3.180 2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.816 3.878 1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.291 2.628 -0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.102 2.616 0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.597 1.087 -0.324 1.00 0.00 H new ATOM 589 N LYS A 47 -4.547 1.178 4.455 1.00 0.00 N ATOM 590 CA LYS A 47 -5.571 0.947 5.462 1.00 0.00 C ATOM 591 C LYS A 47 -6.436 2.184 5.688 1.00 0.00 C ATOM 592 O LYS A 47 -7.561 2.080 6.177 1.00 0.00 O ATOM 593 CB LYS A 47 -4.900 0.492 6.760 1.00 0.00 C ATOM 594 CG LYS A 47 -5.757 0.628 8.006 1.00 0.00 C ATOM 595 CD LYS A 47 -7.016 -0.219 7.916 1.00 0.00 C ATOM 596 CE LYS A 47 -6.687 -1.689 7.718 1.00 0.00 C ATOM 597 NZ LYS A 47 -7.902 -2.547 7.796 1.00 0.00 N ATOM 0 H LYS A 47 -3.672 1.552 4.822 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.242 0.164 5.108 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.605 -0.552 6.652 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.986 1.069 6.901 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.179 0.329 8.880 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.031 1.674 8.147 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.604 -0.096 8.826 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.633 0.131 7.088 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.208 -1.826 6.749 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.970 -2.006 8.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.634 -3.542 7.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.346 -2.436 8.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.576 -2.263 7.057 1.00 0.00 H new ATOM 611 N SER A 48 -5.921 3.351 5.330 1.00 0.00 N ATOM 612 CA SER A 48 -6.681 4.584 5.505 1.00 0.00 C ATOM 613 C SER A 48 -6.001 5.766 4.830 1.00 0.00 C ATOM 614 O SER A 48 -4.799 5.743 4.566 1.00 0.00 O ATOM 615 CB SER A 48 -6.877 4.876 6.994 1.00 0.00 C ATOM 616 OG SER A 48 -8.127 5.500 7.230 1.00 0.00 O ATOM 0 H SER A 48 -4.994 3.472 4.922 1.00 0.00 H new ATOM 0 HA SER A 48 -7.652 4.442 5.031 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.818 3.947 7.561 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.073 5.519 7.351 1.00 0.00 H new ATOM 0 HG SER A 48 -8.229 5.675 8.189 1.00 0.00 H new ATOM 622 N ILE A 49 -6.787 6.801 4.561 1.00 0.00 N ATOM 623 CA ILE A 49 -6.280 8.008 3.926 1.00 0.00 C ATOM 624 C ILE A 49 -6.785 9.245 4.657 1.00 0.00 C ATOM 625 O ILE A 49 -7.859 9.228 5.260 1.00 0.00 O ATOM 626 CB ILE A 49 -6.696 8.095 2.443 1.00 0.00 C ATOM 627 CG1 ILE A 49 -6.536 6.732 1.765 1.00 0.00 C ATOM 628 CG2 ILE A 49 -5.885 9.157 1.712 1.00 0.00 C ATOM 629 CD1 ILE A 49 -6.928 6.733 0.303 1.00 0.00 C ATOM 0 H ILE A 49 -7.784 6.827 4.775 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.192 7.963 3.977 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.746 8.384 2.398 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.498 6.411 1.854 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.143 5.998 2.295 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.197 9.199 0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.051 10.128 2.180 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.826 8.906 1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.789 5.735 -0.112 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.974 7.023 0.207 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.304 7.442 -0.241 1.00 0.00 H new ATOM 641 N ILE A 50 -6.006 10.311 4.600 1.00 0.00 N ATOM 642 CA ILE A 50 -6.366 11.559 5.254 1.00 0.00 C ATOM 643 C ILE A 50 -6.840 12.580 4.226 1.00 0.00 C ATOM 644 O ILE A 50 -6.049 13.078 3.427 1.00 0.00 O ATOM 645 CB ILE A 50 -5.179 12.155 6.047 1.00 0.00 C ATOM 646 CG1 ILE A 50 -4.797 11.257 7.230 1.00 0.00 C ATOM 647 CG2 ILE A 50 -5.523 13.552 6.546 1.00 0.00 C ATOM 648 CD1 ILE A 50 -4.102 9.973 6.842 1.00 0.00 C ATOM 0 H ILE A 50 -5.115 10.338 4.105 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.171 11.334 5.953 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.324 12.216 5.373 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.147 11.819 7.901 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.699 11.012 7.790 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.678 13.958 7.102 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.742 14.198 5.696 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.395 13.501 7.198 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.868 9.400 7.739 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.756 9.386 6.197 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.180 10.205 6.310 1.00 0.00 H new ATOM 660 N ASN A 51 -8.131 12.884 4.254 1.00 0.00 N ATOM 661 CA ASN A 51 -8.711 13.846 3.320 1.00 0.00 C ATOM 662 C ASN A 51 -8.297 15.266 3.685 1.00 0.00 C ATOM 663 O ASN A 51 -9.131 16.095 4.051 1.00 0.00 O ATOM 664 CB ASN A 51 -10.238 13.738 3.308 1.00 0.00 C ATOM 665 CG ASN A 51 -10.729 12.318 3.521 1.00 0.00 C ATOM 666 OD1 ASN A 51 -10.924 11.946 4.782 1.00 0.00 O flip ATOM 667 ND2 ASN A 51 -10.930 11.567 2.567 1.00 0.00 N flip ATOM 0 H ASN A 51 -8.798 12.480 4.912 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.335 13.614 2.324 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.649 14.380 4.087 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.616 14.109 2.356 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.767 11.896 1.616 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.260 10.615 2.728 1.00 0.00 H new ATOM 674 N GLY A 52 -7.003 15.539 3.586 1.00 0.00 N ATOM 675 CA GLY A 52 -6.499 16.859 3.913 1.00 0.00 C ATOM 676 C GLY A 52 -5.146 17.146 3.289 1.00 0.00 C ATOM 677 O GLY A 52 -4.820 18.301 3.011 1.00 0.00 O ATOM 0 H GLY A 52 -6.293 14.871 3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.215 17.609 3.577 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.422 16.955 4.996 1.00 0.00 H new ATOM 681 N GLY A 53 -4.348 16.102 3.073 1.00 0.00 N ATOM 682 CA GLY A 53 -3.035 16.288 2.488 1.00 0.00 C ATOM 683 C GLY A 53 -2.905 15.660 1.116 1.00 0.00 C ATOM 684 O GLY A 53 -3.900 15.293 0.490 1.00 0.00 O ATOM 0 H GLY A 53 -4.588 15.135 3.293 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.824 17.355 2.415 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.284 15.859 3.151 1.00 0.00 H new ATOM 688 N ALA A 54 -1.667 15.550 0.647 1.00 0.00 N ATOM 689 CA ALA A 54 -1.368 14.980 -0.665 1.00 0.00 C ATOM 690 C ALA A 54 -2.215 13.752 -0.985 1.00 0.00 C ATOM 691 O ALA A 54 -2.831 13.677 -2.045 1.00 0.00 O ATOM 692 CB ALA A 54 0.107 14.626 -0.745 1.00 0.00 C ATOM 0 H ALA A 54 -0.842 15.853 1.164 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.615 15.738 -1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.327 14.201 -1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.705 15.525 -0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.349 13.897 0.029 1.00 0.00 H new ATOM 698 N ALA A 55 -2.230 12.784 -0.077 1.00 0.00 N ATOM 699 CA ALA A 55 -2.989 11.555 -0.285 1.00 0.00 C ATOM 700 C ALA A 55 -4.436 11.848 -0.672 1.00 0.00 C ATOM 701 O ALA A 55 -5.054 11.091 -1.420 1.00 0.00 O ATOM 702 CB ALA A 55 -2.941 10.686 0.960 1.00 0.00 C ATOM 0 H ALA A 55 -1.727 12.825 0.809 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.526 11.016 -1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.512 9.773 0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.906 10.430 1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.371 11.231 1.801 1.00 0.00 H new ATOM 708 N SER A 56 -4.969 12.952 -0.162 1.00 0.00 N ATOM 709 CA SER A 56 -6.341 13.344 -0.459 1.00 0.00 C ATOM 710 C SER A 56 -6.428 14.010 -1.823 1.00 0.00 C ATOM 711 O SER A 56 -7.162 13.563 -2.705 1.00 0.00 O ATOM 712 CB SER A 56 -6.858 14.309 0.606 1.00 0.00 C ATOM 713 OG SER A 56 -6.346 15.616 0.409 1.00 0.00 O ATOM 0 H SER A 56 -4.472 13.591 0.459 1.00 0.00 H new ATOM 0 HA SER A 56 -6.955 12.443 -0.463 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.947 14.335 0.578 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.573 13.950 1.595 1.00 0.00 H new ATOM 0 HG SER A 56 -5.434 15.667 0.764 1.00 0.00 H new ATOM 719 N LYS A 57 -5.675 15.088 -1.981 1.00 0.00 N ATOM 720 CA LYS A 57 -5.658 15.839 -3.232 1.00 0.00 C ATOM 721 C LYS A 57 -5.189 14.968 -4.394 1.00 0.00 C ATOM 722 O LYS A 57 -5.509 15.240 -5.551 1.00 0.00 O ATOM 723 CB LYS A 57 -4.770 17.083 -3.114 1.00 0.00 C ATOM 724 CG LYS A 57 -3.501 16.875 -2.302 1.00 0.00 C ATOM 725 CD LYS A 57 -3.353 17.933 -1.220 1.00 0.00 C ATOM 726 CE LYS A 57 -1.901 18.344 -1.037 1.00 0.00 C ATOM 727 NZ LYS A 57 -1.770 19.574 -0.207 1.00 0.00 N ATOM 0 H LYS A 57 -5.064 15.465 -1.256 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.680 16.159 -3.434 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.496 17.415 -4.115 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.350 17.886 -2.660 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.518 15.886 -1.845 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.635 16.906 -2.963 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.950 18.807 -1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.745 17.549 -0.278 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.350 17.529 -0.567 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.447 18.515 -2.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.785 19.907 -0.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.395 20.315 -0.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.038 19.360 0.775 1.00 0.00 H new ATOM 741 N ASP A 58 -4.431 13.923 -4.083 1.00 0.00 N ATOM 742 CA ASP A 58 -3.920 13.019 -5.107 1.00 0.00 C ATOM 743 C ASP A 58 -5.057 12.411 -5.920 1.00 0.00 C ATOM 744 O ASP A 58 -5.032 12.430 -7.150 1.00 0.00 O ATOM 745 CB ASP A 58 -3.086 11.905 -4.469 1.00 0.00 C ATOM 746 CG ASP A 58 -1.622 12.000 -4.846 1.00 0.00 C ATOM 747 OD1 ASP A 58 -1.202 13.072 -5.326 1.00 0.00 O ATOM 748 OD2 ASP A 58 -0.895 11.001 -4.663 1.00 0.00 O ATOM 0 H ASP A 58 -4.157 13.681 -3.131 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.288 13.600 -5.778 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.184 11.955 -3.385 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.478 10.936 -4.780 1.00 0.00 H new ATOM 753 N GLY A 59 -6.050 11.869 -5.225 1.00 0.00 N ATOM 754 CA GLY A 59 -7.175 11.259 -5.904 1.00 0.00 C ATOM 755 C GLY A 59 -6.758 10.085 -6.771 1.00 0.00 C ATOM 756 O GLY A 59 -7.486 9.688 -7.679 1.00 0.00 O ATOM 0 H GLY A 59 -6.095 11.841 -4.206 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.903 10.922 -5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.672 12.006 -6.523 1.00 0.00 H new ATOM 760 N ARG A 60 -5.583 9.530 -6.488 1.00 0.00 N ATOM 761 CA ARG A 60 -5.070 8.395 -7.249 1.00 0.00 C ATOM 762 C ARG A 60 -4.854 7.184 -6.344 1.00 0.00 C ATOM 763 O ARG A 60 -4.790 6.048 -6.814 1.00 0.00 O ATOM 764 CB ARG A 60 -3.755 8.764 -7.938 1.00 0.00 C ATOM 765 CG ARG A 60 -3.872 9.954 -8.874 1.00 0.00 C ATOM 766 CD ARG A 60 -2.513 10.581 -9.152 1.00 0.00 C ATOM 767 NE ARG A 60 -2.302 11.796 -8.370 1.00 0.00 N ATOM 768 CZ ARG A 60 -1.308 12.654 -8.587 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.425 12.429 -9.553 1.00 0.00 N ATOM 770 NH2 ARG A 60 -1.192 13.740 -7.835 1.00 0.00 N ATOM 0 H ARG A 60 -4.969 9.847 -5.738 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.811 8.137 -8.006 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.005 8.983 -7.178 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.396 7.903 -8.502 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.326 9.637 -9.813 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.535 10.700 -8.435 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.728 9.861 -8.922 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.431 10.814 -10.214 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.955 11.999 -7.613 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.506 11.595 -10.134 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.334 13.091 -9.714 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.865 13.918 -7.089 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.430 14.397 -8.002 1.00 0.00 H new ATOM 784 N LEU A 61 -4.741 7.437 -5.044 1.00 0.00 N ATOM 785 CA LEU A 61 -4.530 6.374 -4.073 1.00 0.00 C ATOM 786 C LEU A 61 -5.768 5.494 -3.961 1.00 0.00 C ATOM 787 O LEU A 61 -6.851 5.868 -4.409 1.00 0.00 O ATOM 788 CB LEU A 61 -4.187 6.970 -2.708 1.00 0.00 C ATOM 789 CG LEU A 61 -2.802 7.612 -2.611 1.00 0.00 C ATOM 790 CD1 LEU A 61 -1.712 6.564 -2.778 1.00 0.00 C ATOM 791 CD2 LEU A 61 -2.648 8.715 -3.647 1.00 0.00 C ATOM 0 H LEU A 61 -4.792 8.372 -4.640 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.697 5.758 -4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.937 7.720 -2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.260 6.184 -1.957 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.700 8.056 -1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.735 7.041 -2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.807 5.812 -1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.812 6.087 -3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.656 9.159 -3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.773 8.296 -4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.404 9.481 -3.478 1.00 0.00 H new ATOM 803 N ARG A 62 -5.600 4.321 -3.362 1.00 0.00 N ATOM 804 CA ARG A 62 -6.707 3.390 -3.195 1.00 0.00 C ATOM 805 C ARG A 62 -6.585 2.623 -1.887 1.00 0.00 C ATOM 806 O ARG A 62 -5.519 2.105 -1.554 1.00 0.00 O ATOM 807 CB ARG A 62 -6.761 2.412 -4.371 1.00 0.00 C ATOM 808 CG ARG A 62 -8.173 2.108 -4.844 1.00 0.00 C ATOM 809 CD ARG A 62 -8.858 3.352 -5.386 1.00 0.00 C ATOM 810 NE ARG A 62 -8.047 4.027 -6.397 1.00 0.00 N ATOM 811 CZ ARG A 62 -8.193 5.306 -6.732 1.00 0.00 C ATOM 812 NH1 ARG A 62 -9.116 6.054 -6.141 1.00 0.00 N ATOM 813 NH2 ARG A 62 -7.413 5.841 -7.662 1.00 0.00 N ATOM 0 H ARG A 62 -4.710 3.994 -2.985 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.631 3.968 -3.168 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.189 2.824 -5.202 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.275 1.480 -4.081 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.141 1.342 -5.619 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.755 1.702 -4.017 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -9.820 3.077 -5.818 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.062 4.040 -4.566 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.326 3.485 -6.874 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.719 5.649 -5.425 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.222 7.034 -6.403 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.701 5.272 -8.120 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.525 6.822 -7.919 1.00 0.00 H new ATOM 827 N VAL A 63 -7.688 2.547 -1.153 1.00 0.00 N ATOM 828 CA VAL A 63 -7.709 1.833 0.111 1.00 0.00 C ATOM 829 C VAL A 63 -7.681 0.331 -0.140 1.00 0.00 C ATOM 830 O VAL A 63 -8.429 -0.175 -0.976 1.00 0.00 O ATOM 831 CB VAL A 63 -8.955 2.190 0.946 1.00 0.00 C ATOM 832 CG1 VAL A 63 -8.790 1.719 2.382 1.00 0.00 C ATOM 833 CG2 VAL A 63 -9.218 3.690 0.901 1.00 0.00 C ATOM 0 H VAL A 63 -8.578 2.972 -1.414 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.825 2.133 0.674 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.815 1.678 0.514 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.680 1.980 2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.653 0.638 2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.919 2.201 2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.101 3.923 1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.357 4.223 1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.384 4.000 -0.131 1.00 0.00 H new ATOM 843 N ASN A 64 -6.804 -0.368 0.579 1.00 0.00 N ATOM 844 CA ASN A 64 -6.646 -1.818 0.444 1.00 0.00 C ATOM 845 C ASN A 64 -5.587 -2.165 -0.605 1.00 0.00 C ATOM 846 O ASN A 64 -5.132 -3.306 -0.679 1.00 0.00 O ATOM 847 CB ASN A 64 -7.973 -2.504 0.094 1.00 0.00 C ATOM 848 CG ASN A 64 -9.122 -2.021 0.958 1.00 0.00 C ATOM 849 OD1 ASN A 64 -10.194 -1.569 0.317 1.00 0.00 O flip ATOM 850 ND2 ASN A 64 -9.046 -2.052 2.186 1.00 0.00 N flip ATOM 0 H ASN A 64 -6.183 0.053 1.271 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.315 -2.191 1.413 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.208 -2.319 -0.954 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.863 -3.582 0.211 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.203 -2.408 2.636 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.826 -1.722 2.754 1.00 0.00 H new ATOM 857 N ASP A 65 -5.191 -1.178 -1.412 1.00 0.00 N ATOM 858 CA ASP A 65 -4.180 -1.403 -2.441 1.00 0.00 C ATOM 859 C ASP A 65 -2.873 -1.875 -1.810 1.00 0.00 C ATOM 860 O ASP A 65 -2.524 -1.464 -0.703 1.00 0.00 O ATOM 861 CB ASP A 65 -3.945 -0.125 -3.250 1.00 0.00 C ATOM 862 CG ASP A 65 -4.079 -0.354 -4.743 1.00 0.00 C ATOM 863 OD1 ASP A 65 -5.226 -0.475 -5.226 1.00 0.00 O ATOM 864 OD2 ASP A 65 -3.038 -0.412 -5.431 1.00 0.00 O ATOM 0 H ASP A 65 -5.552 -0.225 -1.372 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.543 -2.179 -3.115 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.659 0.637 -2.936 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.950 0.262 -3.032 1.00 0.00 H new ATOM 869 N GLN A 66 -2.157 -2.749 -2.512 1.00 0.00 N ATOM 870 CA GLN A 66 -0.896 -3.280 -2.005 1.00 0.00 C ATOM 871 C GLN A 66 0.282 -2.410 -2.429 1.00 0.00 C ATOM 872 O GLN A 66 0.439 -2.091 -3.606 1.00 0.00 O ATOM 873 CB GLN A 66 -0.689 -4.713 -2.501 1.00 0.00 C ATOM 874 CG GLN A 66 -0.071 -5.635 -1.461 1.00 0.00 C ATOM 875 CD GLN A 66 1.229 -6.257 -1.932 1.00 0.00 C ATOM 876 OE1 GLN A 66 2.265 -5.437 -2.061 1.00 0.00 O flip ATOM 877 NE2 GLN A 66 1.301 -7.462 -2.175 1.00 0.00 N flip ATOM 0 H GLN A 66 -2.427 -3.103 -3.430 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.946 -3.278 -0.916 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.650 -5.123 -2.812 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.049 -4.694 -3.383 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.110 -5.073 -0.545 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.780 -6.426 -1.215 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.479 -8.055 -2.062 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.183 -7.867 -2.489 1.00 0.00 H new ATOM 886 N LEU A 67 1.114 -2.033 -1.463 1.00 0.00 N ATOM 887 CA LEU A 67 2.283 -1.207 -1.743 1.00 0.00 C ATOM 888 C LEU A 67 3.399 -2.052 -2.350 1.00 0.00 C ATOM 889 O LEU A 67 3.587 -3.208 -1.972 1.00 0.00 O ATOM 890 CB LEU A 67 2.777 -0.530 -0.463 1.00 0.00 C ATOM 891 CG LEU A 67 1.905 0.624 0.036 1.00 0.00 C ATOM 892 CD1 LEU A 67 2.237 0.959 1.482 1.00 0.00 C ATOM 893 CD2 LEU A 67 2.080 1.845 -0.853 1.00 0.00 C ATOM 0 H LEU A 67 1.001 -2.286 -0.481 1.00 0.00 H new ATOM 0 HA LEU A 67 1.996 -0.437 -2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.845 -1.281 0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.786 -0.155 -0.634 1.00 0.00 H new ATOM 0 HG LEU A 67 0.861 0.313 -0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.607 1.782 1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.058 0.085 2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.285 1.250 1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.453 2.657 -0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.124 2.158 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.789 1.597 -1.874 1.00 0.00 H new ATOM 905 N ILE A 68 4.130 -1.476 -3.299 1.00 0.00 N ATOM 906 CA ILE A 68 5.216 -2.193 -3.957 1.00 0.00 C ATOM 907 C ILE A 68 6.506 -1.380 -3.973 1.00 0.00 C ATOM 908 O ILE A 68 7.591 -1.925 -3.768 1.00 0.00 O ATOM 909 CB ILE A 68 4.843 -2.568 -5.405 1.00 0.00 C ATOM 910 CG1 ILE A 68 3.464 -3.226 -5.447 1.00 0.00 C ATOM 911 CG2 ILE A 68 5.896 -3.491 -6.002 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.396 -4.538 -4.694 1.00 0.00 C ATOM 0 H ILE A 68 3.991 -0.521 -3.628 1.00 0.00 H new ATOM 0 HA ILE A 68 5.380 -3.102 -3.377 1.00 0.00 H new ATOM 0 HB ILE A 68 4.807 -1.657 -6.002 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.729 -2.538 -5.029 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.184 -3.398 -6.486 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.618 -3.747 -7.025 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.863 -2.987 -6.004 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.962 -4.401 -5.406 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.388 -4.947 -4.767 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.106 -5.243 -5.126 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.644 -4.369 -3.646 1.00 0.00 H new ATOM 924 N ALA A 69 6.394 -0.080 -4.226 1.00 0.00 N ATOM 925 CA ALA A 69 7.570 0.782 -4.271 1.00 0.00 C ATOM 926 C ALA A 69 7.249 2.202 -3.820 1.00 0.00 C ATOM 927 O ALA A 69 6.085 2.568 -3.657 1.00 0.00 O ATOM 928 CB ALA A 69 8.154 0.796 -5.677 1.00 0.00 C ATOM 0 H ALA A 69 5.509 0.397 -4.402 1.00 0.00 H new ATOM 0 HA ALA A 69 8.306 0.375 -3.577 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.031 1.442 -5.700 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.441 -0.216 -5.962 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.408 1.172 -6.377 1.00 0.00 H new ATOM 934 N VAL A 70 8.296 2.997 -3.622 1.00 0.00 N ATOM 935 CA VAL A 70 8.142 4.381 -3.190 1.00 0.00 C ATOM 936 C VAL A 70 9.380 5.202 -3.546 1.00 0.00 C ATOM 937 O VAL A 70 10.435 5.051 -2.930 1.00 0.00 O ATOM 938 CB VAL A 70 7.888 4.469 -1.673 1.00 0.00 C ATOM 939 CG1 VAL A 70 9.044 3.854 -0.896 1.00 0.00 C ATOM 940 CG2 VAL A 70 7.654 5.914 -1.248 1.00 0.00 C ATOM 0 H VAL A 70 9.264 2.704 -3.755 1.00 0.00 H new ATOM 0 HA VAL A 70 7.278 4.789 -3.714 1.00 0.00 H new ATOM 0 HB VAL A 70 6.987 3.900 -1.444 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.844 3.927 0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.152 2.806 -1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.965 4.388 -1.130 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.477 5.953 -0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.532 6.512 -1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.786 6.312 -1.774 1.00 0.00 H new ATOM 950 N ASN A 71 9.245 6.069 -4.547 1.00 0.00 N ATOM 951 CA ASN A 71 10.354 6.909 -4.987 1.00 0.00 C ATOM 952 C ASN A 71 11.526 6.054 -5.454 1.00 0.00 C ATOM 953 O ASN A 71 12.686 6.419 -5.270 1.00 0.00 O ATOM 954 CB ASN A 71 10.808 7.832 -3.855 1.00 0.00 C ATOM 955 CG ASN A 71 9.668 8.647 -3.279 1.00 0.00 C ATOM 956 OD1 ASN A 71 9.058 9.459 -3.972 1.00 0.00 O ATOM 957 ND2 ASN A 71 9.377 8.432 -2.003 1.00 0.00 N ATOM 0 H ASN A 71 8.379 6.207 -5.068 1.00 0.00 H new ATOM 0 HA ASN A 71 10.006 7.516 -5.823 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.260 7.235 -3.063 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.580 8.505 -4.227 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.620 8.951 -1.558 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.910 7.748 -1.467 1.00 0.00 H new ATOM 964 N GLY A 72 11.215 4.910 -6.054 1.00 0.00 N ATOM 965 CA GLY A 72 12.255 4.019 -6.531 1.00 0.00 C ATOM 966 C GLY A 72 12.663 2.996 -5.486 1.00 0.00 C ATOM 967 O GLY A 72 13.339 2.016 -5.800 1.00 0.00 O ATOM 0 H GLY A 72 10.262 4.585 -6.218 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.905 3.502 -7.425 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.127 4.605 -6.822 1.00 0.00 H new ATOM 971 N GLU A 73 12.251 3.222 -4.241 1.00 0.00 N ATOM 972 CA GLU A 73 12.577 2.312 -3.152 1.00 0.00 C ATOM 973 C GLU A 73 11.620 1.126 -3.135 1.00 0.00 C ATOM 974 O GLU A 73 10.489 1.233 -2.660 1.00 0.00 O ATOM 975 CB GLU A 73 12.526 3.048 -1.811 1.00 0.00 C ATOM 976 CG GLU A 73 13.739 2.797 -0.932 1.00 0.00 C ATOM 977 CD GLU A 73 15.026 3.298 -1.557 1.00 0.00 C ATOM 978 OE1 GLU A 73 15.355 4.488 -1.366 1.00 0.00 O ATOM 979 OE2 GLU A 73 15.705 2.501 -2.237 1.00 0.00 O ATOM 0 H GLU A 73 11.691 4.028 -3.964 1.00 0.00 H new ATOM 0 HA GLU A 73 13.588 1.938 -3.311 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.438 4.118 -1.997 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.629 2.743 -1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.593 3.286 0.031 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.826 1.728 -0.736 1.00 0.00 H new ATOM 986 N SER A 74 12.081 -0.004 -3.660 1.00 0.00 N ATOM 987 CA SER A 74 11.268 -1.212 -3.711 1.00 0.00 C ATOM 988 C SER A 74 10.843 -1.642 -2.312 1.00 0.00 C ATOM 989 O SER A 74 11.606 -1.519 -1.353 1.00 0.00 O ATOM 990 CB SER A 74 12.040 -2.342 -4.393 1.00 0.00 C ATOM 991 OG SER A 74 13.198 -2.687 -3.654 1.00 0.00 O ATOM 0 H SER A 74 13.015 -0.108 -4.057 1.00 0.00 H new ATOM 0 HA SER A 74 10.371 -0.992 -4.291 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.397 -3.216 -4.496 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.325 -2.036 -5.400 1.00 0.00 H new ATOM 0 HG SER A 74 13.673 -3.413 -4.110 1.00 0.00 H new ATOM 997 N LEU A 75 9.618 -2.145 -2.200 1.00 0.00 N ATOM 998 CA LEU A 75 9.087 -2.592 -0.918 1.00 0.00 C ATOM 999 C LEU A 75 8.909 -4.108 -0.891 1.00 0.00 C ATOM 1000 O LEU A 75 8.795 -4.707 0.177 1.00 0.00 O ATOM 1001 CB LEU A 75 7.747 -1.906 -0.633 1.00 0.00 C ATOM 1002 CG LEU A 75 7.839 -0.502 -0.028 1.00 0.00 C ATOM 1003 CD1 LEU A 75 6.473 -0.049 0.469 1.00 0.00 C ATOM 1004 CD2 LEU A 75 8.856 -0.464 1.104 1.00 0.00 C ATOM 0 H LEU A 75 8.974 -2.253 -2.983 1.00 0.00 H new ATOM 0 HA LEU A 75 9.805 -2.319 -0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.185 -1.845 -1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.173 -2.538 0.045 1.00 0.00 H new ATOM 0 HG LEU A 75 8.173 0.184 -0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.554 0.950 0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.770 -0.031 -0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.115 -0.741 1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.903 0.544 1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.557 -1.163 1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.837 -0.745 0.721 1.00 0.00 H new ATOM 1016 N LEU A 76 8.885 -4.728 -2.072 1.00 0.00 N ATOM 1017 CA LEU A 76 8.718 -6.175 -2.178 1.00 0.00 C ATOM 1018 C LEU A 76 9.634 -6.911 -1.203 1.00 0.00 C ATOM 1019 O LEU A 76 9.180 -7.747 -0.421 1.00 0.00 O ATOM 1020 CB LEU A 76 9.002 -6.637 -3.609 1.00 0.00 C ATOM 1021 CG LEU A 76 7.795 -6.612 -4.548 1.00 0.00 C ATOM 1022 CD1 LEU A 76 8.230 -6.874 -5.982 1.00 0.00 C ATOM 1023 CD2 LEU A 76 6.757 -7.634 -4.108 1.00 0.00 C ATOM 0 H LEU A 76 8.979 -4.249 -2.968 1.00 0.00 H new ATOM 0 HA LEU A 76 7.686 -6.412 -1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.784 -6.005 -4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.396 -7.653 -3.575 1.00 0.00 H new ATOM 0 HG LEU A 76 7.342 -5.621 -4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.358 -6.853 -6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.937 -6.105 -6.294 1.00 0.00 H new ATOM 0 HD13 LEU A 76 8.707 -7.852 -6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.905 -7.603 -4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.198 -8.631 -4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.424 -7.402 -3.097 1.00 0.00 H new ATOM 1035 N GLY A 77 10.923 -6.593 -1.253 1.00 0.00 N ATOM 1036 CA GLY A 77 11.877 -7.232 -0.367 1.00 0.00 C ATOM 1037 C GLY A 77 11.651 -6.862 1.084 1.00 0.00 C ATOM 1038 O GLY A 77 11.934 -7.651 1.986 1.00 0.00 O ATOM 0 H GLY A 77 11.323 -5.905 -1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.805 -8.314 -0.479 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.888 -6.947 -0.659 1.00 0.00 H new ATOM 1042 N LYS A 78 11.141 -5.655 1.311 1.00 0.00 N ATOM 1043 CA LYS A 78 10.875 -5.175 2.662 1.00 0.00 C ATOM 1044 C LYS A 78 9.618 -5.805 3.232 1.00 0.00 C ATOM 1045 O LYS A 78 8.582 -5.868 2.570 1.00 0.00 O ATOM 1046 CB LYS A 78 10.730 -3.656 2.667 1.00 0.00 C ATOM 1047 CG LYS A 78 12.050 -2.921 2.546 1.00 0.00 C ATOM 1048 CD LYS A 78 11.955 -1.518 3.115 1.00 0.00 C ATOM 1049 CE LYS A 78 13.276 -1.072 3.717 1.00 0.00 C ATOM 1050 NZ LYS A 78 14.237 -0.616 2.676 1.00 0.00 N ATOM 0 H LYS A 78 10.903 -4.991 0.574 1.00 0.00 H new ATOM 0 HA LYS A 78 11.721 -5.462 3.287 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.081 -3.358 1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.236 -3.349 3.589 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.827 -3.477 3.071 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.346 -2.871 1.498 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.660 -0.824 2.328 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.177 -1.485 3.877 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.097 -0.263 4.425 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.715 -1.896 4.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.167 -0.450 3.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.324 -1.346 1.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.892 0.267 2.248 1.00 0.00 H new ATOM 1064 N ALA A 79 9.714 -6.258 4.472 1.00 0.00 N ATOM 1065 CA ALA A 79 8.588 -6.867 5.150 1.00 0.00 C ATOM 1066 C ALA A 79 7.607 -5.791 5.596 1.00 0.00 C ATOM 1067 O ALA A 79 7.732 -4.630 5.210 1.00 0.00 O ATOM 1068 CB ALA A 79 9.072 -7.682 6.340 1.00 0.00 C ATOM 0 H ALA A 79 10.567 -6.213 5.030 1.00 0.00 H new ATOM 0 HA ALA A 79 8.076 -7.538 4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.217 -8.135 6.842 1.00 0.00 H new ATOM 0 HB2 ALA A 79 9.747 -8.465 5.994 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.599 -7.030 7.037 1.00 0.00 H new ATOM 1074 N ASN A 80 6.635 -6.178 6.408 1.00 0.00 N ATOM 1075 CA ASN A 80 5.641 -5.235 6.897 1.00 0.00 C ATOM 1076 C ASN A 80 6.301 -4.058 7.615 1.00 0.00 C ATOM 1077 O ASN A 80 6.051 -2.898 7.287 1.00 0.00 O ATOM 1078 CB ASN A 80 4.661 -5.939 7.839 1.00 0.00 C ATOM 1079 CG ASN A 80 5.358 -6.858 8.824 1.00 0.00 C ATOM 1080 OD1 ASN A 80 5.807 -6.426 9.885 1.00 0.00 O ATOM 1081 ND2 ASN A 80 5.453 -8.135 8.473 1.00 0.00 N ATOM 0 H ASN A 80 6.513 -7.134 6.741 1.00 0.00 H new ATOM 0 HA ASN A 80 5.096 -4.847 6.037 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.089 -5.191 8.388 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.948 -6.517 7.250 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.913 -8.802 9.093 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.066 -8.449 7.583 1.00 0.00 H new ATOM 1088 N GLN A 81 7.136 -4.363 8.602 1.00 0.00 N ATOM 1089 CA GLN A 81 7.818 -3.329 9.374 1.00 0.00 C ATOM 1090 C GLN A 81 8.816 -2.541 8.525 1.00 0.00 C ATOM 1091 O GLN A 81 8.881 -1.315 8.619 1.00 0.00 O ATOM 1092 CB GLN A 81 8.531 -3.949 10.579 1.00 0.00 C ATOM 1093 CG GLN A 81 9.320 -5.207 10.245 1.00 0.00 C ATOM 1094 CD GLN A 81 10.792 -5.083 10.588 1.00 0.00 C ATOM 1095 OE1 GLN A 81 11.392 -3.956 10.222 1.00 0.00 O flip ATOM 1096 NE2 GLN A 81 11.382 -5.988 11.176 1.00 0.00 N flip ATOM 0 H GLN A 81 7.357 -5.317 8.887 1.00 0.00 H new ATOM 0 HA GLN A 81 7.057 -2.630 9.721 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.208 -3.210 11.009 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.792 -4.187 11.344 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.895 -6.052 10.787 1.00 0.00 H new ATOM 0 HG3 GLN A 81 9.216 -5.425 9.182 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.881 -6.837 11.438 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.372 -5.889 11.401 1.00 0.00 H new ATOM 1105 N GLU A 82 9.597 -3.240 7.704 1.00 0.00 N ATOM 1106 CA GLU A 82 10.589 -2.583 6.857 1.00 0.00 C ATOM 1107 C GLU A 82 9.928 -1.594 5.919 1.00 0.00 C ATOM 1108 O GLU A 82 10.300 -0.421 5.869 1.00 0.00 O ATOM 1109 CB GLU A 82 11.357 -3.616 6.036 1.00 0.00 C ATOM 1110 CG GLU A 82 12.583 -4.152 6.740 1.00 0.00 C ATOM 1111 CD GLU A 82 13.682 -4.554 5.777 1.00 0.00 C ATOM 1112 OE1 GLU A 82 13.373 -5.219 4.767 1.00 0.00 O ATOM 1113 OE2 GLU A 82 14.853 -4.201 6.034 1.00 0.00 O ATOM 0 H GLU A 82 9.563 -4.255 7.608 1.00 0.00 H new ATOM 0 HA GLU A 82 11.280 -2.048 7.508 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.692 -4.446 5.797 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.658 -3.166 5.090 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.964 -3.394 7.424 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.302 -5.014 7.344 1.00 0.00 H new ATOM 1120 N ALA A 83 8.940 -2.069 5.180 1.00 0.00 N ATOM 1121 CA ALA A 83 8.223 -1.216 4.249 1.00 0.00 C ATOM 1122 C ALA A 83 7.611 -0.048 5.001 1.00 0.00 C ATOM 1123 O ALA A 83 7.517 1.066 4.487 1.00 0.00 O ATOM 1124 CB ALA A 83 7.161 -2.008 3.506 1.00 0.00 C ATOM 0 H ALA A 83 8.617 -3.036 5.206 1.00 0.00 H new ATOM 0 HA ALA A 83 8.920 -0.827 3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.635 -1.351 2.813 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.633 -2.818 2.950 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.451 -2.425 4.221 1.00 0.00 H new ATOM 1130 N MET A 84 7.219 -0.317 6.241 1.00 0.00 N ATOM 1131 CA MET A 84 6.639 0.703 7.094 1.00 0.00 C ATOM 1132 C MET A 84 7.680 1.767 7.421 1.00 0.00 C ATOM 1133 O MET A 84 7.350 2.933 7.636 1.00 0.00 O ATOM 1134 CB MET A 84 6.115 0.078 8.382 1.00 0.00 C ATOM 1135 CG MET A 84 4.617 -0.130 8.358 1.00 0.00 C ATOM 1136 SD MET A 84 4.080 -1.456 9.444 1.00 0.00 S ATOM 1137 CE MET A 84 3.325 -2.538 8.242 1.00 0.00 C ATOM 0 H MET A 84 7.294 -1.237 6.675 1.00 0.00 H new ATOM 0 HA MET A 84 5.808 1.169 6.564 1.00 0.00 H new ATOM 0 HB2 MET A 84 6.609 -0.880 8.544 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.376 0.718 9.225 1.00 0.00 H new ATOM 0 HG2 MET A 84 4.122 0.796 8.650 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.302 -0.352 7.338 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.077 -3.489 8.714 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.416 -2.076 7.857 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.020 -2.711 7.421 1.00 0.00 H new ATOM 1147 N GLU A 85 8.944 1.348 7.454 1.00 0.00 N ATOM 1148 CA GLU A 85 10.042 2.256 7.749 1.00 0.00 C ATOM 1149 C GLU A 85 10.462 3.003 6.489 1.00 0.00 C ATOM 1150 O GLU A 85 10.818 4.179 6.544 1.00 0.00 O ATOM 1151 CB GLU A 85 11.221 1.487 8.372 1.00 0.00 C ATOM 1152 CG GLU A 85 12.171 0.844 7.372 1.00 0.00 C ATOM 1153 CD GLU A 85 13.603 1.316 7.543 1.00 0.00 C ATOM 1154 OE1 GLU A 85 14.020 1.542 8.697 1.00 0.00 O ATOM 1155 OE2 GLU A 85 14.306 1.459 6.520 1.00 0.00 O ATOM 0 H GLU A 85 9.229 0.384 7.279 1.00 0.00 H new ATOM 0 HA GLU A 85 9.707 2.994 8.478 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.789 2.172 9.002 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.824 0.709 9.024 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.133 -0.239 7.485 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.836 1.071 6.360 1.00 0.00 H new ATOM 1162 N THR A 86 10.389 2.322 5.352 1.00 0.00 N ATOM 1163 CA THR A 86 10.730 2.939 4.081 1.00 0.00 C ATOM 1164 C THR A 86 9.705 4.019 3.772 1.00 0.00 C ATOM 1165 O THR A 86 10.037 5.083 3.249 1.00 0.00 O ATOM 1166 CB THR A 86 10.772 1.891 2.966 1.00 0.00 C ATOM 1167 OG1 THR A 86 12.028 1.237 2.943 1.00 0.00 O ATOM 1168 CG2 THR A 86 10.530 2.460 1.584 1.00 0.00 C ATOM 0 H THR A 86 10.098 1.347 5.286 1.00 0.00 H new ATOM 0 HA THR A 86 11.721 3.388 4.145 1.00 0.00 H new ATOM 0 HB THR A 86 9.963 1.199 3.198 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.683 1.802 2.482 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.575 1.658 0.847 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.546 2.929 1.551 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.294 3.204 1.358 1.00 0.00 H new ATOM 1176 N LEU A 87 8.457 3.741 4.137 1.00 0.00 N ATOM 1177 CA LEU A 87 7.378 4.690 3.941 1.00 0.00 C ATOM 1178 C LEU A 87 7.589 5.858 4.885 1.00 0.00 C ATOM 1179 O LEU A 87 7.672 7.009 4.462 1.00 0.00 O ATOM 1180 CB LEU A 87 6.022 4.031 4.206 1.00 0.00 C ATOM 1181 CG LEU A 87 5.620 2.950 3.201 1.00 0.00 C ATOM 1182 CD1 LEU A 87 4.728 1.911 3.864 1.00 0.00 C ATOM 1183 CD2 LEU A 87 4.919 3.574 2.004 1.00 0.00 C ATOM 0 H LEU A 87 8.172 2.863 4.571 1.00 0.00 H new ATOM 0 HA LEU A 87 7.381 5.039 2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.038 3.591 5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.254 4.805 4.211 1.00 0.00 H new ATOM 0 HG LEU A 87 6.523 2.451 2.849 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.452 1.150 3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.265 1.444 4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.827 2.394 4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.639 2.792 1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.024 4.098 2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.591 4.280 1.516 1.00 0.00 H new ATOM 1195 N ARG A 88 7.717 5.543 6.171 1.00 0.00 N ATOM 1196 CA ARG A 88 7.962 6.559 7.179 1.00 0.00 C ATOM 1197 C ARG A 88 9.223 7.338 6.815 1.00 0.00 C ATOM 1198 O ARG A 88 9.343 8.529 7.104 1.00 0.00 O ATOM 1199 CB ARG A 88 8.083 5.925 8.575 1.00 0.00 C ATOM 1200 CG ARG A 88 9.510 5.650 9.028 1.00 0.00 C ATOM 1201 CD ARG A 88 9.550 5.078 10.437 1.00 0.00 C ATOM 1202 NE ARG A 88 10.186 5.993 11.381 1.00 0.00 N ATOM 1203 CZ ARG A 88 11.470 6.340 11.327 1.00 0.00 C ATOM 1204 NH1 ARG A 88 12.258 5.851 10.377 1.00 0.00 N ATOM 1205 NH2 ARG A 88 11.967 7.178 12.225 1.00 0.00 N ATOM 0 H ARG A 88 7.655 4.592 6.535 1.00 0.00 H new ATOM 0 HA ARG A 88 7.118 7.248 7.208 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.607 6.584 9.301 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.527 4.988 8.583 1.00 0.00 H new ATOM 0 HG2 ARG A 88 9.983 4.952 8.338 1.00 0.00 H new ATOM 0 HG3 ARG A 88 10.088 6.574 8.993 1.00 0.00 H new ATOM 0 HD2 ARG A 88 8.535 4.862 10.770 1.00 0.00 H new ATOM 0 HD3 ARG A 88 10.091 4.132 10.429 1.00 0.00 H new ATOM 0 HE ARG A 88 9.613 6.390 12.126 1.00 0.00 H new ATOM 0 HH11 ARG A 88 11.880 5.206 9.683 1.00 0.00 H new ATOM 0 HH12 ARG A 88 13.241 6.121 10.341 1.00 0.00 H new ATOM 0 HH21 ARG A 88 11.366 7.557 12.957 1.00 0.00 H new ATOM 0 HH22 ARG A 88 12.951 7.444 12.184 1.00 0.00 H new ATOM 1219 N ARG A 89 10.148 6.650 6.148 1.00 0.00 N ATOM 1220 CA ARG A 89 11.391 7.267 5.710 1.00 0.00 C ATOM 1221 C ARG A 89 11.106 8.273 4.610 1.00 0.00 C ATOM 1222 O ARG A 89 11.652 9.375 4.597 1.00 0.00 O ATOM 1223 CB ARG A 89 12.368 6.210 5.193 1.00 0.00 C ATOM 1224 CG ARG A 89 13.510 5.931 6.147 1.00 0.00 C ATOM 1225 CD ARG A 89 14.577 5.062 5.502 1.00 0.00 C ATOM 1226 NE ARG A 89 15.615 4.673 6.454 1.00 0.00 N ATOM 1227 CZ ARG A 89 16.533 5.509 6.933 1.00 0.00 C ATOM 1228 NH1 ARG A 89 16.549 6.780 6.551 1.00 0.00 N ATOM 1229 NH2 ARG A 89 17.440 5.072 7.796 1.00 0.00 N ATOM 0 H ARG A 89 10.057 5.665 5.901 1.00 0.00 H new ATOM 0 HA ARG A 89 11.842 7.773 6.563 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.825 5.283 5.007 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.775 6.538 4.237 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.953 6.873 6.470 1.00 0.00 H new ATOM 0 HG3 ARG A 89 13.127 5.436 7.039 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.113 4.168 5.086 1.00 0.00 H new ATOM 0 HD3 ARG A 89 15.031 5.602 4.671 1.00 0.00 H new ATOM 0 HE ARG A 89 15.637 3.703 6.770 1.00 0.00 H new ATOM 0 HH11 ARG A 89 15.855 7.122 5.886 1.00 0.00 H new ATOM 0 HH12 ARG A 89 17.255 7.415 6.922 1.00 0.00 H new ATOM 0 HH21 ARG A 89 17.434 4.096 8.092 1.00 0.00 H new ATOM 0 HH22 ARG A 89 18.144 5.712 8.164 1.00 0.00 H new ATOM 1243 N SER A 90 10.244 7.876 3.682 1.00 0.00 N ATOM 1244 CA SER A 90 9.883 8.735 2.573 1.00 0.00 C ATOM 1245 C SER A 90 9.089 9.938 3.066 1.00 0.00 C ATOM 1246 O SER A 90 9.413 11.084 2.747 1.00 0.00 O ATOM 1247 CB SER A 90 9.072 7.959 1.534 1.00 0.00 C ATOM 1248 OG SER A 90 9.923 7.285 0.623 1.00 0.00 O ATOM 0 H SER A 90 9.785 6.965 3.680 1.00 0.00 H new ATOM 0 HA SER A 90 10.801 9.090 2.104 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.427 7.238 2.036 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.421 8.644 0.990 1.00 0.00 H new ATOM 0 HG SER A 90 9.648 6.347 0.551 1.00 0.00 H new ATOM 1254 N MET A 91 8.058 9.668 3.856 1.00 0.00 N ATOM 1255 CA MET A 91 7.222 10.726 4.411 1.00 0.00 C ATOM 1256 C MET A 91 8.026 11.599 5.371 1.00 0.00 C ATOM 1257 O MET A 91 7.634 12.724 5.678 1.00 0.00 O ATOM 1258 CB MET A 91 6.021 10.127 5.153 1.00 0.00 C ATOM 1259 CG MET A 91 5.285 9.041 4.382 1.00 0.00 C ATOM 1260 SD MET A 91 4.988 9.472 2.657 1.00 0.00 S ATOM 1261 CE MET A 91 4.495 7.881 2.004 1.00 0.00 C ATOM 0 H MET A 91 7.780 8.725 4.127 1.00 0.00 H new ATOM 0 HA MET A 91 6.864 11.340 3.585 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.364 9.713 6.101 1.00 0.00 H new ATOM 0 HB3 MET A 91 5.319 10.927 5.390 1.00 0.00 H new ATOM 0 HG2 MET A 91 5.864 8.118 4.425 1.00 0.00 H new ATOM 0 HG3 MET A 91 4.331 8.842 4.869 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.361 7.956 0.925 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.266 7.143 2.223 1.00 0.00 H new ATOM 0 HE3 MET A 91 3.557 7.573 2.465 1.00 0.00 H new ATOM 1271 N SER A 92 9.143 11.062 5.853 1.00 0.00 N ATOM 1272 CA SER A 92 9.995 11.781 6.794 1.00 0.00 C ATOM 1273 C SER A 92 10.953 12.734 6.087 1.00 0.00 C ATOM 1274 O SER A 92 10.957 13.935 6.359 1.00 0.00 O ATOM 1275 CB SER A 92 10.789 10.790 7.647 1.00 0.00 C ATOM 1276 OG SER A 92 10.008 10.305 8.725 1.00 0.00 O ATOM 0 H SER A 92 9.479 10.131 5.607 1.00 0.00 H new ATOM 0 HA SER A 92 9.343 12.378 7.432 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.119 9.955 7.028 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.686 11.275 8.033 1.00 0.00 H new ATOM 0 HG SER A 92 9.418 9.590 8.406 1.00 0.00 H new ATOM 1282 N THR A 93 11.776 12.195 5.196 1.00 0.00 N ATOM 1283 CA THR A 93 12.752 13.013 4.478 1.00 0.00 C ATOM 1284 C THR A 93 13.494 12.201 3.418 1.00 0.00 C ATOM 1285 O THR A 93 14.682 11.917 3.563 1.00 0.00 O ATOM 1286 CB THR A 93 13.758 13.586 5.469 1.00 0.00 C ATOM 1287 OG1 THR A 93 14.706 14.406 4.810 1.00 0.00 O ATOM 1288 CG2 THR A 93 14.514 12.507 6.212 1.00 0.00 C ATOM 0 H THR A 93 11.790 11.204 4.953 1.00 0.00 H new ATOM 0 HA THR A 93 12.214 13.817 3.975 1.00 0.00 H new ATOM 0 HB THR A 93 13.176 14.169 6.183 1.00 0.00 H new ATOM 0 HG1 THR A 93 15.341 14.764 5.465 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.218 12.968 6.905 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.811 11.887 6.767 1.00 0.00 H new ATOM 0 HG23 THR A 93 15.059 11.888 5.499 1.00 0.00 H new ATOM 1296 N GLU A 94 12.792 11.849 2.349 1.00 0.00 N ATOM 1297 CA GLU A 94 13.377 11.083 1.255 1.00 0.00 C ATOM 1298 C GLU A 94 12.427 11.095 0.077 1.00 0.00 C ATOM 1299 O GLU A 94 12.816 11.371 -1.057 1.00 0.00 O ATOM 1300 CB GLU A 94 13.652 9.640 1.682 1.00 0.00 C ATOM 1301 CG GLU A 94 14.842 9.493 2.609 1.00 0.00 C ATOM 1302 CD GLU A 94 15.512 8.138 2.494 1.00 0.00 C ATOM 1303 OE1 GLU A 94 14.803 7.147 2.213 1.00 0.00 O ATOM 1304 OE2 GLU A 94 16.745 8.066 2.683 1.00 0.00 O ATOM 0 H GLU A 94 11.808 12.084 2.215 1.00 0.00 H new ATOM 0 HA GLU A 94 14.326 11.541 0.975 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.766 9.242 2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 94 13.819 9.033 0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.570 10.273 2.385 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.516 9.646 3.638 1.00 0.00 H new ATOM 1311 N GLY A 95 11.165 10.827 0.373 1.00 0.00 N ATOM 1312 CA GLY A 95 10.148 10.846 -0.650 1.00 0.00 C ATOM 1313 C GLY A 95 9.706 12.263 -0.912 1.00 0.00 C ATOM 1314 O GLY A 95 9.370 12.623 -2.037 1.00 0.00 O ATOM 0 H GLY A 95 10.828 10.596 1.308 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.535 10.402 -1.567 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.296 10.242 -0.338 1.00 0.00 H new ATOM 1318 N ASN A 96 9.737 13.073 0.142 1.00 0.00 N ATOM 1319 CA ASN A 96 9.367 14.475 0.049 1.00 0.00 C ATOM 1320 C ASN A 96 10.524 15.266 -0.561 1.00 0.00 C ATOM 1321 O ASN A 96 10.649 15.345 -1.783 1.00 0.00 O ATOM 1322 CB ASN A 96 9.006 15.017 1.441 1.00 0.00 C ATOM 1323 CG ASN A 96 8.875 16.530 1.475 1.00 0.00 C ATOM 1324 OD1 ASN A 96 8.362 17.106 0.396 1.00 0.00 O flip ATOM 1325 ND2 ASN A 96 9.232 17.171 2.462 1.00 0.00 N flip ATOM 0 H ASN A 96 10.018 12.776 1.077 1.00 0.00 H new ATOM 0 HA ASN A 96 8.493 14.582 -0.593 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.067 14.569 1.766 1.00 0.00 H new ATOM 0 HB3 ASN A 96 9.770 14.708 2.154 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.622 16.687 3.271 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.138 18.187 2.472 1.00 0.00 H new ATOM 1332 N LYS A 97 11.377 15.826 0.302 1.00 0.00 N ATOM 1333 CA LYS A 97 12.547 16.598 -0.122 1.00 0.00 C ATOM 1334 C LYS A 97 12.309 17.356 -1.434 1.00 0.00 C ATOM 1335 O LYS A 97 13.230 17.530 -2.232 1.00 0.00 O ATOM 1336 CB LYS A 97 13.768 15.678 -0.249 1.00 0.00 C ATOM 1337 CG LYS A 97 13.476 14.348 -0.919 1.00 0.00 C ATOM 1338 CD LYS A 97 13.493 14.475 -2.430 1.00 0.00 C ATOM 1339 CE LYS A 97 12.969 13.221 -3.109 1.00 0.00 C ATOM 1340 NZ LYS A 97 14.010 12.160 -3.192 1.00 0.00 N ATOM 0 H LYS A 97 11.275 15.756 1.314 1.00 0.00 H new ATOM 0 HA LYS A 97 12.734 17.348 0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.542 16.196 -0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.173 15.490 0.745 1.00 0.00 H new ATOM 0 HG2 LYS A 97 14.215 13.611 -0.606 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.502 13.981 -0.594 1.00 0.00 H new ATOM 0 HD2 LYS A 97 12.887 15.330 -2.729 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.511 14.672 -2.767 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.108 12.843 -2.558 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.622 13.469 -4.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.028 11.765 -4.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 14.940 12.568 -2.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.791 11.404 -2.512 1.00 0.00 H new ATOM 1354 N ARG A 98 11.071 17.803 -1.651 1.00 0.00 N ATOM 1355 CA ARG A 98 10.725 18.535 -2.859 1.00 0.00 C ATOM 1356 C ARG A 98 9.285 19.046 -2.805 1.00 0.00 C ATOM 1357 O ARG A 98 8.976 20.120 -3.324 1.00 0.00 O ATOM 1358 CB ARG A 98 10.929 17.644 -4.083 1.00 0.00 C ATOM 1359 CG ARG A 98 9.874 16.558 -4.246 1.00 0.00 C ATOM 1360 CD ARG A 98 10.502 15.203 -4.519 1.00 0.00 C ATOM 1361 NE ARG A 98 10.918 15.061 -5.913 1.00 0.00 N ATOM 1362 CZ ARG A 98 11.220 13.896 -6.481 1.00 0.00 C ATOM 1363 NH1 ARG A 98 11.154 12.769 -5.782 1.00 0.00 N ATOM 1364 NH2 ARG A 98 11.590 13.856 -7.754 1.00 0.00 N ATOM 0 H ARG A 98 10.295 17.668 -1.003 1.00 0.00 H new ATOM 0 HA ARG A 98 11.382 19.402 -2.934 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.933 18.268 -4.977 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.911 17.175 -4.018 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.266 16.502 -3.343 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.205 16.821 -5.065 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.365 15.066 -3.868 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.789 14.417 -4.272 1.00 0.00 H new ATOM 0 HE ARG A 98 10.980 15.904 -6.484 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.870 12.792 -4.803 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.387 11.880 -6.225 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.643 14.718 -8.297 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.822 12.963 -8.190 1.00 0.00 H new ATOM 1378 N GLY A 99 8.410 18.266 -2.182 1.00 0.00 N ATOM 1379 CA GLY A 99 7.014 18.644 -2.072 1.00 0.00 C ATOM 1380 C GLY A 99 6.088 17.580 -2.630 1.00 0.00 C ATOM 1381 O GLY A 99 4.932 17.858 -2.946 1.00 0.00 O ATOM 0 H GLY A 99 8.645 17.373 -1.749 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.769 18.824 -1.025 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.850 19.581 -2.603 1.00 0.00 H new ATOM 1385 N MET A 100 6.605 16.358 -2.757 1.00 0.00 N ATOM 1386 CA MET A 100 5.836 15.243 -3.284 1.00 0.00 C ATOM 1387 C MET A 100 6.661 13.960 -3.283 1.00 0.00 C ATOM 1388 O MET A 100 7.887 14.005 -3.212 1.00 0.00 O ATOM 1389 CB MET A 100 5.372 15.565 -4.703 1.00 0.00 C ATOM 1390 CG MET A 100 6.469 15.458 -5.752 1.00 0.00 C ATOM 1391 SD MET A 100 5.975 14.469 -7.177 1.00 0.00 S ATOM 1392 CE MET A 100 5.420 12.972 -6.367 1.00 0.00 C ATOM 0 H MET A 100 7.562 16.119 -2.498 1.00 0.00 H new ATOM 0 HA MET A 100 4.968 15.088 -2.643 1.00 0.00 H new ATOM 0 HB2 MET A 100 4.560 14.889 -4.971 1.00 0.00 H new ATOM 0 HB3 MET A 100 4.964 16.576 -4.720 1.00 0.00 H new ATOM 0 HG2 MET A 100 6.745 16.458 -6.087 1.00 0.00 H new ATOM 0 HG3 MET A 100 7.357 15.017 -5.299 1.00 0.00 H new ATOM 0 HE1 MET A 100 5.267 12.191 -7.112 1.00 0.00 H new ATOM 0 HE2 MET A 100 6.173 12.646 -5.649 1.00 0.00 H new ATOM 0 HE3 MET A 100 4.482 13.166 -5.846 1.00 0.00 H new ATOM 1402 N ILE A 101 5.983 12.820 -3.372 1.00 0.00 N ATOM 1403 CA ILE A 101 6.660 11.525 -3.390 1.00 0.00 C ATOM 1404 C ILE A 101 5.911 10.530 -4.275 1.00 0.00 C ATOM 1405 O ILE A 101 4.683 10.555 -4.352 1.00 0.00 O ATOM 1406 CB ILE A 101 6.836 10.948 -1.955 1.00 0.00 C ATOM 1407 CG1 ILE A 101 6.260 9.533 -1.832 1.00 0.00 C ATOM 1408 CG2 ILE A 101 6.196 11.863 -0.922 1.00 0.00 C ATOM 1409 CD1 ILE A 101 6.428 8.941 -0.449 1.00 0.00 C ATOM 0 H ILE A 101 4.966 12.765 -3.433 1.00 0.00 H new ATOM 0 HA ILE A 101 7.653 11.685 -3.809 1.00 0.00 H new ATOM 0 HB ILE A 101 7.908 10.890 -1.764 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.200 9.556 -2.085 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.747 8.884 -2.560 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.332 11.439 0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.666 12.845 -0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.131 11.961 -1.133 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.000 7.939 -0.428 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.488 8.888 -0.202 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.917 9.569 0.280 1.00 0.00 H new ATOM 1421 N GLN A 102 6.663 9.656 -4.937 1.00 0.00 N ATOM 1422 CA GLN A 102 6.073 8.652 -5.815 1.00 0.00 C ATOM 1423 C GLN A 102 5.775 7.374 -5.042 1.00 0.00 C ATOM 1424 O GLN A 102 6.564 6.950 -4.196 1.00 0.00 O ATOM 1425 CB GLN A 102 7.013 8.348 -6.984 1.00 0.00 C ATOM 1426 CG GLN A 102 6.344 7.604 -8.127 1.00 0.00 C ATOM 1427 CD GLN A 102 7.339 6.910 -9.033 1.00 0.00 C ATOM 1428 OE1 GLN A 102 7.792 5.801 -8.745 1.00 0.00 O ATOM 1429 NE2 GLN A 102 7.687 7.558 -10.139 1.00 0.00 N ATOM 0 H GLN A 102 7.681 9.623 -4.882 1.00 0.00 H new ATOM 0 HA GLN A 102 5.137 9.049 -6.208 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.423 9.284 -7.362 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.853 7.757 -6.619 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.653 6.866 -7.720 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.751 8.305 -8.714 1.00 0.00 H new ATOM 0 HE21 GLN A 102 7.288 8.475 -10.340 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.353 7.139 -10.788 1.00 0.00 H new ATOM 1438 N LEU A 103 4.630 6.765 -5.330 1.00 0.00 N ATOM 1439 CA LEU A 103 4.233 5.538 -4.653 1.00 0.00 C ATOM 1440 C LEU A 103 3.705 4.507 -5.642 1.00 0.00 C ATOM 1441 O LEU A 103 2.818 4.799 -6.447 1.00 0.00 O ATOM 1442 CB LEU A 103 3.171 5.840 -3.595 1.00 0.00 C ATOM 1443 CG LEU A 103 3.716 6.251 -2.227 1.00 0.00 C ATOM 1444 CD1 LEU A 103 2.801 7.274 -1.572 1.00 0.00 C ATOM 1445 CD2 LEU A 103 3.883 5.033 -1.333 1.00 0.00 C ATOM 0 H LEU A 103 3.963 7.100 -6.025 1.00 0.00 H new ATOM 0 HA LEU A 103 5.116 5.121 -4.168 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.527 6.637 -3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.545 4.957 -3.469 1.00 0.00 H new ATOM 0 HG LEU A 103 4.695 6.709 -2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.206 7.554 -0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.732 8.159 -2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.808 6.843 -1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.272 5.344 -0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.917 4.546 -1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.580 4.334 -1.796 1.00 0.00 H new ATOM 1457 N ILE A 104 4.248 3.296 -5.568 1.00 0.00 N ATOM 1458 CA ILE A 104 3.830 2.211 -6.443 1.00 0.00 C ATOM 1459 C ILE A 104 3.041 1.169 -5.665 1.00 0.00 C ATOM 1460 O ILE A 104 3.357 0.868 -4.513 1.00 0.00 O ATOM 1461 CB ILE A 104 5.034 1.528 -7.122 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.822 2.542 -7.946 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.572 0.374 -8.002 1.00 0.00 C ATOM 1464 CD1 ILE A 104 4.977 3.293 -8.950 1.00 0.00 C ATOM 0 H ILE A 104 4.982 3.043 -4.907 1.00 0.00 H new ATOM 0 HA ILE A 104 3.199 2.650 -7.215 1.00 0.00 H new ATOM 0 HB ILE A 104 5.685 1.127 -6.345 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.293 3.258 -7.272 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.624 2.025 -8.473 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.437 -0.094 -8.472 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.048 -0.362 -7.392 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.900 0.751 -8.773 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.603 3.996 -9.499 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.527 2.587 -9.647 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.191 3.839 -8.428 1.00 0.00 H new ATOM 1476 N VAL A 105 2.016 0.622 -6.301 1.00 0.00 N ATOM 1477 CA VAL A 105 1.179 -0.388 -5.666 1.00 0.00 C ATOM 1478 C VAL A 105 0.773 -1.481 -6.647 1.00 0.00 C ATOM 1479 O VAL A 105 1.126 -1.439 -7.826 1.00 0.00 O ATOM 1480 CB VAL A 105 -0.095 0.232 -5.061 1.00 0.00 C ATOM 1481 CG1 VAL A 105 0.243 1.066 -3.836 1.00 0.00 C ATOM 1482 CG2 VAL A 105 -0.828 1.066 -6.099 1.00 0.00 C ATOM 0 H VAL A 105 1.743 0.859 -7.255 1.00 0.00 H new ATOM 0 HA VAL A 105 1.781 -0.826 -4.870 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.755 -0.577 -4.747 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.671 1.495 -3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.718 0.434 -3.085 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.925 1.868 -4.119 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.725 1.496 -5.653 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.177 1.867 -6.448 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.109 0.434 -6.941 1.00 0.00 H new ATOM 1492 N ALA A 106 0.020 -2.453 -6.148 1.00 0.00 N ATOM 1493 CA ALA A 106 -0.454 -3.562 -6.961 1.00 0.00 C ATOM 1494 C ALA A 106 -1.909 -3.873 -6.637 1.00 0.00 C ATOM 1495 O ALA A 106 -2.314 -3.849 -5.474 1.00 0.00 O ATOM 1496 CB ALA A 106 0.415 -4.792 -6.743 1.00 0.00 C ATOM 0 H ALA A 106 -0.277 -2.494 -5.173 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.387 -3.275 -8.010 1.00 0.00 H new ATOM 0 HB1 ALA A 106 0.046 -5.612 -7.359 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.444 -4.564 -7.021 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.378 -5.082 -5.693 1.00 0.00 H new ATOM 1502 N ARG A 107 -2.694 -4.154 -7.671 1.00 0.00 N ATOM 1503 CA ARG A 107 -4.108 -4.459 -7.490 1.00 0.00 C ATOM 1504 C ARG A 107 -4.526 -5.652 -8.341 1.00 0.00 C ATOM 1505 O ARG A 107 -4.086 -5.799 -9.482 1.00 0.00 O ATOM 1506 CB ARG A 107 -4.955 -3.238 -7.847 1.00 0.00 C ATOM 1507 CG ARG A 107 -6.448 -3.460 -7.681 1.00 0.00 C ATOM 1508 CD ARG A 107 -7.249 -2.370 -8.372 1.00 0.00 C ATOM 1509 NE ARG A 107 -6.984 -1.052 -7.802 1.00 0.00 N ATOM 1510 CZ ARG A 107 -7.293 0.093 -8.406 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -7.878 0.085 -9.597 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -7.015 1.249 -7.818 1.00 0.00 N ATOM 0 H ARG A 107 -2.376 -4.177 -8.640 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.270 -4.716 -6.443 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.650 -2.400 -7.221 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.751 -2.955 -8.880 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.721 -4.431 -8.093 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.699 -3.482 -6.620 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.007 -2.361 -9.435 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -8.313 -2.594 -8.289 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.536 -1.006 -6.887 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.093 -0.801 -10.054 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.113 0.965 -10.056 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -6.564 1.260 -6.903 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.252 2.127 -8.281 1.00 0.00 H new ATOM 1526 N ARG A 108 -5.380 -6.500 -7.778 1.00 0.00 N ATOM 1527 CA ARG A 108 -5.861 -7.681 -8.482 1.00 0.00 C ATOM 1528 C ARG A 108 -7.024 -7.328 -9.403 1.00 0.00 C ATOM 1529 O ARG A 108 -7.908 -6.556 -9.033 1.00 0.00 O ATOM 1530 CB ARG A 108 -6.296 -8.754 -7.483 1.00 0.00 C ATOM 1531 CG ARG A 108 -6.404 -10.144 -8.092 1.00 0.00 C ATOM 1532 CD ARG A 108 -5.232 -11.027 -7.691 1.00 0.00 C ATOM 1533 NE ARG A 108 -5.670 -12.246 -7.016 1.00 0.00 N ATOM 1534 CZ ARG A 108 -6.056 -12.290 -5.743 1.00 0.00 C ATOM 1535 NH1 ARG A 108 -6.059 -11.188 -5.004 1.00 0.00 N ATOM 1536 NH2 ARG A 108 -6.441 -13.440 -5.207 1.00 0.00 N ATOM 0 H ARG A 108 -5.753 -6.390 -6.835 1.00 0.00 H new ATOM 0 HA ARG A 108 -5.043 -8.069 -9.089 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -5.583 -8.782 -6.659 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.261 -8.475 -7.060 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.336 -10.610 -7.773 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -6.444 -10.063 -9.178 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -4.657 -11.291 -8.579 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.566 -10.468 -7.034 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.681 -13.114 -7.551 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -5.764 -10.300 -5.411 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -6.356 -11.229 -4.029 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -6.441 -14.290 -5.770 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -6.737 -13.474 -4.231 1.00 0.00 H new ATOM 1550 N ILE A 109 -7.017 -7.896 -10.603 1.00 0.00 N ATOM 1551 CA ILE A 109 -8.071 -7.642 -11.577 1.00 0.00 C ATOM 1552 C ILE A 109 -9.420 -8.137 -11.064 1.00 0.00 C ATOM 1553 O ILE A 109 -10.314 -7.345 -10.769 1.00 0.00 O ATOM 1554 CB ILE A 109 -7.764 -8.316 -12.929 1.00 0.00 C ATOM 1555 CG1 ILE A 109 -6.389 -7.879 -13.440 1.00 0.00 C ATOM 1556 CG2 ILE A 109 -8.844 -7.987 -13.950 1.00 0.00 C ATOM 1557 CD1 ILE A 109 -6.324 -6.420 -13.831 1.00 0.00 C ATOM 0 H ILE A 109 -6.292 -8.537 -10.925 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.115 -6.563 -11.724 1.00 0.00 H new ATOM 0 HB ILE A 109 -7.752 -9.396 -12.782 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -5.645 -8.073 -12.667 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -6.120 -8.490 -14.302 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -8.609 -8.472 -14.897 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -9.808 -8.345 -13.588 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -8.890 -6.908 -14.096 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -5.320 -6.182 -14.183 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -7.044 -6.224 -14.626 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -6.561 -5.801 -12.966 1.00 0.00 H new ATOM 1569 N SER A 110 -9.555 -9.453 -10.963 1.00 0.00 N ATOM 1570 CA SER A 110 -10.792 -10.061 -10.486 1.00 0.00 C ATOM 1571 C SER A 110 -10.964 -9.842 -8.987 1.00 0.00 C ATOM 1572 O SER A 110 -10.508 -10.648 -8.175 1.00 0.00 O ATOM 1573 CB SER A 110 -10.803 -11.557 -10.799 1.00 0.00 C ATOM 1574 OG SER A 110 -9.815 -12.243 -10.050 1.00 0.00 O ATOM 0 H SER A 110 -8.823 -10.121 -11.205 1.00 0.00 H new ATOM 0 HA SER A 110 -11.624 -9.583 -11.002 1.00 0.00 H new ATOM 0 HB2 SER A 110 -11.786 -11.971 -10.575 1.00 0.00 H new ATOM 0 HB3 SER A 110 -10.628 -11.710 -11.864 1.00 0.00 H new ATOM 0 HG SER A 110 -9.804 -11.900 -9.132 1.00 0.00 H new TER 1580 SER A 110