USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 793 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 69 TYR OH : rot 180:sc= 0.429 USER MOD Set 1.2: A 83 SER OG : rot 139:sc= 1.42 USER MOD Set 2.1: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 66 GLN : amide:sc= -0.854 K(o=-0.85,f=-4.3!) USER MOD Set 3.1: A 59 GLN : amide:sc= 1.2 X(o=-0.87,f=-0.65) USER MOD Set 3.2: A 70 HIS : no HD1:sc= -2.07 K(o=-0.87,f=0.7) USER MOD Set 4.1: A 1 MET N :NH3+ -173:sc= -0.315 (180deg=-0.348) USER MOD Set 4.2: A 2 ASN : amide:sc= 0 K(o=-0.32,f=-1.4) USER MOD Single : A 1 MET CE :methyl -117:sc= -0.009 (180deg=-0.24) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.13) USER MOD Single : A 16 THR OG1 : rot 76:sc= 1.12 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot -150:sc= -0.513 USER MOD Single : A 35 ASN : amide:sc= 0.175 X(o=0.17,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0595 USER MOD Single : A 42 THR OG1 : rot -21:sc= 1.03 USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 47 SER OG : rot 157:sc= 1.16 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0195 K(o=-0.019,f=-4.8!) USER MOD Single : A 54 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.2) USER MOD Single : A 58 HIS : no HE2:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 140:sc= -0.0165 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0.211 X(o=0.21,f=0) USER MOD Single : A 96 THR OG1 : rot 79:sc= 1.2 USER MOD Single : A 97 GLN : amide:sc= 0.131 X(o=0.13,f=0) USER MOD Single : A 98 GLN : amide:sc= -0.275 K(o=-0.27,f=-1.4) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.373 -21.457 -12.445 1.00 1.00 N ATOM 2 CA MET A 1 8.132 -20.272 -11.987 1.00 1.00 C ATOM 3 C MET A 1 7.265 -19.207 -11.411 1.00 1.00 C ATOM 4 O MET A 1 7.598 -18.024 -11.466 1.00 1.00 O ATOM 5 CB MET A 1 8.958 -19.706 -13.155 1.00 1.00 C ATOM 6 CG MET A 1 9.967 -20.691 -13.749 1.00 1.00 C ATOM 7 SD MET A 1 10.970 -20.009 -15.104 1.00 1.00 S ATOM 8 CE MET A 1 12.045 -18.950 -14.093 1.00 1.00 C ATOM 0 H1 MET A 1 8.037 -22.207 -12.725 1.00 1.00 H new ATOM 0 H2 MET A 1 6.767 -21.801 -11.673 1.00 1.00 H new ATOM 0 H3 MET A 1 6.782 -21.197 -13.260 1.00 1.00 H new ATOM 0 HA MET A 1 8.789 -20.605 -11.184 1.00 1.00 H new ATOM 0 HB2 MET A 1 8.277 -19.382 -13.942 1.00 1.00 H new ATOM 0 HB3 MET A 1 9.492 -18.820 -12.811 1.00 1.00 H new ATOM 0 HG2 MET A 1 10.633 -21.033 -12.957 1.00 1.00 H new ATOM 0 HG3 MET A 1 9.430 -21.566 -14.115 1.00 1.00 H new ATOM 0 HE1 MET A 1 11.890 -17.907 -14.367 1.00 1.00 H new ATOM 0 HE2 MET A 1 11.804 -19.088 -13.039 1.00 1.00 H new ATOM 0 HE3 MET A 1 13.087 -19.219 -14.266 1.00 1.00 H new ATOM 17 N ASN A 2 6.128 -19.572 -10.790 1.00 1.00 N ATOM 18 CA ASN A 2 5.142 -18.717 -10.207 1.00 1.00 C ATOM 19 C ASN A 2 5.664 -17.834 -9.127 1.00 1.00 C ATOM 20 O ASN A 2 5.413 -16.630 -9.112 1.00 1.00 O ATOM 21 CB ASN A 2 3.982 -19.571 -9.668 1.00 1.00 C ATOM 22 CG ASN A 2 3.209 -20.229 -10.804 1.00 1.00 C ATOM 23 OD1 ASN A 2 3.695 -21.083 -11.543 1.00 1.00 O ATOM 24 ND2 ASN A 2 1.917 -19.837 -10.966 1.00 1.00 N ATOM 0 H ASN A 2 5.879 -20.556 -10.688 1.00 1.00 H new ATOM 0 HA ASN A 2 4.802 -18.051 -11.000 1.00 1.00 H new ATOM 0 HB2 ASN A 2 4.372 -20.337 -8.998 1.00 1.00 H new ATOM 0 HB3 ASN A 2 3.309 -18.946 -9.081 1.00 1.00 H new ATOM 0 HD21 ASN A 2 1.347 -20.252 -11.703 1.00 1.00 H new ATOM 0 HD22 ASN A 2 1.518 -19.128 -10.350 1.00 1.00 H new ATOM 31 N ASP A 3 6.464 -18.389 -8.200 1.00 1.00 N ATOM 32 CA ASP A 3 7.113 -17.690 -7.133 1.00 1.00 C ATOM 33 C ASP A 3 8.019 -16.624 -7.645 1.00 1.00 C ATOM 34 O ASP A 3 7.887 -15.447 -7.309 1.00 1.00 O ATOM 35 CB ASP A 3 7.943 -18.644 -6.259 1.00 1.00 C ATOM 36 CG ASP A 3 7.147 -19.736 -5.559 1.00 1.00 C ATOM 37 OD1 ASP A 3 6.666 -20.674 -6.250 1.00 1.00 O ATOM 38 OD2 ASP A 3 7.076 -19.718 -4.300 1.00 1.00 O ATOM 0 H ASP A 3 6.671 -19.388 -8.195 1.00 1.00 H new ATOM 0 HA ASP A 3 6.319 -17.240 -6.538 1.00 1.00 H new ATOM 0 HB2 ASP A 3 8.704 -19.114 -6.882 1.00 1.00 H new ATOM 0 HB3 ASP A 3 8.467 -18.057 -5.504 1.00 1.00 H new ATOM 43 N SER A 4 8.953 -16.997 -8.538 1.00 1.00 N ATOM 44 CA SER A 4 9.883 -16.136 -9.202 1.00 1.00 C ATOM 45 C SER A 4 9.233 -15.047 -9.983 1.00 1.00 C ATOM 46 O SER A 4 9.621 -13.885 -9.875 1.00 1.00 O ATOM 47 CB SER A 4 10.831 -16.934 -10.112 1.00 1.00 C ATOM 48 OG SER A 4 11.873 -16.143 -10.665 1.00 1.00 O ATOM 0 H SER A 4 9.066 -17.972 -8.816 1.00 1.00 H new ATOM 0 HA SER A 4 10.456 -15.660 -8.406 1.00 1.00 H new ATOM 0 HB2 SER A 4 11.269 -17.753 -9.541 1.00 1.00 H new ATOM 0 HB3 SER A 4 10.255 -17.382 -10.922 1.00 1.00 H new ATOM 0 HG SER A 4 12.443 -16.703 -11.232 1.00 1.00 H new ATOM 54 N GLU A 5 8.183 -15.365 -10.761 1.00 1.00 N ATOM 55 CA GLU A 5 7.386 -14.448 -11.517 1.00 1.00 C ATOM 56 C GLU A 5 6.810 -13.341 -10.702 1.00 1.00 C ATOM 57 O GLU A 5 7.111 -12.170 -10.922 1.00 1.00 O ATOM 58 CB GLU A 5 6.270 -15.199 -12.263 1.00 1.00 C ATOM 59 CG GLU A 5 5.441 -14.334 -13.214 1.00 1.00 C ATOM 60 CD GLU A 5 4.391 -15.122 -13.982 1.00 1.00 C ATOM 61 OE1 GLU A 5 4.261 -16.363 -13.802 1.00 1.00 O ATOM 62 OE2 GLU A 5 3.680 -14.501 -14.818 1.00 1.00 O ATOM 0 H GLU A 5 7.870 -16.330 -10.869 1.00 1.00 H new ATOM 0 HA GLU A 5 8.060 -13.979 -12.234 1.00 1.00 H new ATOM 0 HB2 GLU A 5 6.717 -16.014 -12.832 1.00 1.00 H new ATOM 0 HB3 GLU A 5 5.602 -15.651 -11.530 1.00 1.00 H new ATOM 0 HG2 GLU A 5 4.949 -13.547 -12.643 1.00 1.00 H new ATOM 0 HG3 GLU A 5 6.108 -13.844 -13.923 1.00 1.00 H new ATOM 69 N PHE A 6 5.983 -13.657 -9.690 1.00 1.00 N ATOM 70 CA PHE A 6 5.397 -12.644 -8.868 1.00 1.00 C ATOM 71 C PHE A 6 6.349 -11.892 -8.005 1.00 1.00 C ATOM 72 O PHE A 6 6.104 -10.727 -7.694 1.00 1.00 O ATOM 73 CB PHE A 6 4.231 -13.261 -8.077 1.00 1.00 C ATOM 74 CG PHE A 6 3.109 -12.284 -8.008 1.00 1.00 C ATOM 75 CD1 PHE A 6 2.486 -11.903 -9.172 1.00 1.00 C ATOM 76 CD2 PHE A 6 2.694 -11.748 -6.811 1.00 1.00 C ATOM 77 CE1 PHE A 6 1.470 -10.976 -9.150 1.00 1.00 C ATOM 78 CE2 PHE A 6 1.665 -10.837 -6.778 1.00 1.00 C ATOM 79 CZ PHE A 6 1.069 -10.436 -7.950 1.00 1.00 C ATOM 0 H PHE A 6 5.720 -14.611 -9.441 1.00 1.00 H new ATOM 0 HA PHE A 6 5.023 -11.867 -9.535 1.00 1.00 H new ATOM 0 HB2 PHE A 6 3.898 -14.181 -8.557 1.00 1.00 H new ATOM 0 HB3 PHE A 6 4.559 -13.527 -7.072 1.00 1.00 H new ATOM 0 HD1 PHE A 6 2.797 -12.335 -10.112 1.00 1.00 H new ATOM 0 HD2 PHE A 6 3.179 -12.044 -5.893 1.00 1.00 H new ATOM 0 HE1 PHE A 6 0.990 -10.674 -10.069 1.00 1.00 H new ATOM 0 HE2 PHE A 6 1.326 -10.437 -5.834 1.00 1.00 H new ATOM 0 HZ PHE A 6 0.284 -9.695 -7.929 1.00 1.00 H new ATOM 89 N HIS A 7 7.503 -12.483 -7.649 1.00 1.00 N ATOM 90 CA HIS A 7 8.597 -11.852 -6.978 1.00 1.00 C ATOM 91 C HIS A 7 9.249 -10.781 -7.785 1.00 1.00 C ATOM 92 O HIS A 7 9.494 -9.682 -7.288 1.00 1.00 O ATOM 93 CB HIS A 7 9.606 -12.936 -6.565 1.00 1.00 C ATOM 94 CG HIS A 7 11.038 -12.534 -6.378 1.00 1.00 C ATOM 95 ND1 HIS A 7 11.519 -11.827 -5.307 1.00 1.00 N ATOM 96 CD2 HIS A 7 12.088 -12.744 -7.217 1.00 1.00 C ATOM 97 CE1 HIS A 7 12.809 -11.609 -5.489 1.00 1.00 C ATOM 98 NE2 HIS A 7 13.179 -12.155 -6.633 1.00 1.00 N ATOM 0 H HIS A 7 7.683 -13.468 -7.843 1.00 1.00 H new ATOM 0 HA HIS A 7 8.207 -11.343 -6.097 1.00 1.00 H new ATOM 0 HB2 HIS A 7 9.259 -13.376 -5.630 1.00 1.00 H new ATOM 0 HB3 HIS A 7 9.576 -13.723 -7.318 1.00 1.00 H new ATOM 0 HD2 HIS A 7 12.066 -13.272 -8.159 1.00 1.00 H new ATOM 0 HE1 HIS A 7 13.456 -11.071 -4.812 1.00 1.00 H new ATOM 0 HE2 HIS A 7 14.123 -12.141 -7.019 1.00 1.00 H new ATOM 106 N ARG A 8 9.531 -11.041 -9.074 1.00 1.00 N ATOM 107 CA ARG A 8 10.052 -10.090 -10.007 1.00 1.00 C ATOM 108 C ARG A 8 9.132 -8.937 -10.223 1.00 1.00 C ATOM 109 O ARG A 8 9.523 -7.776 -10.117 1.00 1.00 O ATOM 110 CB ARG A 8 10.321 -10.775 -11.357 1.00 1.00 C ATOM 111 CG ARG A 8 11.579 -11.646 -11.363 1.00 1.00 C ATOM 112 CD ARG A 8 12.879 -10.857 -11.527 1.00 1.00 C ATOM 113 NE ARG A 8 12.909 -10.369 -12.935 1.00 1.00 N ATOM 114 CZ ARG A 8 13.887 -9.573 -13.455 1.00 1.00 C ATOM 115 NH1 ARG A 8 14.764 -8.879 -12.670 1.00 1.00 N ATOM 116 NH2 ARG A 8 13.973 -9.486 -14.814 1.00 1.00 N ATOM 0 H ARG A 8 9.388 -11.963 -9.487 1.00 1.00 H new ATOM 0 HA ARG A 8 10.978 -9.703 -9.581 1.00 1.00 H new ATOM 0 HB2 ARG A 8 9.461 -11.392 -11.620 1.00 1.00 H new ATOM 0 HB3 ARG A 8 10.414 -10.012 -12.130 1.00 1.00 H new ATOM 0 HG2 ARG A 8 11.623 -12.210 -10.431 1.00 1.00 H new ATOM 0 HG3 ARG A 8 11.502 -12.373 -12.172 1.00 1.00 H new ATOM 0 HD2 ARG A 8 12.916 -10.022 -10.827 1.00 1.00 H new ATOM 0 HD3 ARG A 8 13.743 -11.487 -11.317 1.00 1.00 H new ATOM 0 HE ARG A 8 12.146 -10.649 -13.552 1.00 1.00 H new ATOM 0 HH11 ARG A 8 14.702 -8.945 -11.654 1.00 1.00 H new ATOM 0 HH12 ARG A 8 15.481 -8.295 -13.100 1.00 1.00 H new ATOM 0 HH21 ARG A 8 13.320 -10.005 -15.401 1.00 1.00 H new ATOM 0 HH22 ARG A 8 14.690 -8.902 -15.243 1.00 1.00 H new ATOM 130 N LEU A 9 7.843 -9.224 -10.479 1.00 1.00 N ATOM 131 CA LEU A 9 6.806 -8.246 -10.598 1.00 1.00 C ATOM 132 C LEU A 9 6.671 -7.386 -9.389 1.00 1.00 C ATOM 133 O LEU A 9 6.531 -6.171 -9.516 1.00 1.00 O ATOM 134 CB LEU A 9 5.468 -8.937 -10.908 1.00 1.00 C ATOM 135 CG LEU A 9 5.390 -9.604 -12.292 1.00 1.00 C ATOM 136 CD1 LEU A 9 4.130 -10.479 -12.402 1.00 1.00 C ATOM 137 CD2 LEU A 9 5.409 -8.575 -13.435 1.00 1.00 C ATOM 0 H LEU A 9 7.509 -10.179 -10.609 1.00 1.00 H new ATOM 0 HA LEU A 9 7.086 -7.587 -11.420 1.00 1.00 H new ATOM 0 HB2 LEU A 9 5.281 -9.693 -10.145 1.00 1.00 H new ATOM 0 HB3 LEU A 9 4.668 -8.200 -10.830 1.00 1.00 H new ATOM 0 HG LEU A 9 6.277 -10.230 -12.392 1.00 1.00 H new ATOM 0 HD11 LEU A 9 4.093 -10.942 -13.388 1.00 1.00 H new ATOM 0 HD12 LEU A 9 4.158 -11.255 -11.638 1.00 1.00 H new ATOM 0 HD13 LEU A 9 3.244 -9.861 -12.258 1.00 1.00 H new ATOM 0 HD21 LEU A 9 5.352 -9.093 -14.392 1.00 1.00 H new ATOM 0 HD22 LEU A 9 4.556 -7.904 -13.335 1.00 1.00 H new ATOM 0 HD23 LEU A 9 6.332 -7.998 -13.389 1.00 1.00 H new ATOM 149 N ALA A 10 6.775 -7.975 -8.185 1.00 1.00 N ATOM 150 CA ALA A 10 6.748 -7.309 -6.919 1.00 1.00 C ATOM 151 C ALA A 10 7.824 -6.289 -6.765 1.00 1.00 C ATOM 152 O ALA A 10 7.529 -5.125 -6.498 1.00 1.00 O ATOM 153 CB ALA A 10 6.811 -8.298 -5.744 1.00 1.00 C ATOM 0 H ALA A 10 6.885 -8.985 -8.090 1.00 1.00 H new ATOM 0 HA ALA A 10 5.790 -6.789 -6.898 1.00 1.00 H new ATOM 0 HB1 ALA A 10 6.788 -7.748 -4.803 1.00 1.00 H new ATOM 0 HB2 ALA A 10 5.956 -8.973 -5.790 1.00 1.00 H new ATOM 0 HB3 ALA A 10 7.733 -8.876 -5.804 1.00 1.00 H new ATOM 159 N ASP A 11 9.098 -6.656 -6.986 1.00 1.00 N ATOM 160 CA ASP A 11 10.213 -5.760 -6.944 1.00 1.00 C ATOM 161 C ASP A 11 10.087 -4.592 -7.861 1.00 1.00 C ATOM 162 O ASP A 11 10.389 -3.462 -7.485 1.00 1.00 O ATOM 163 CB ASP A 11 11.502 -6.535 -7.264 1.00 1.00 C ATOM 164 CG ASP A 11 12.289 -6.803 -5.989 1.00 1.00 C ATOM 165 OD1 ASP A 11 12.859 -5.830 -5.426 1.00 1.00 O ATOM 166 OD2 ASP A 11 12.391 -7.982 -5.556 1.00 1.00 O ATOM 0 H ASP A 11 9.363 -7.617 -7.203 1.00 1.00 H new ATOM 0 HA ASP A 11 10.243 -5.350 -5.935 1.00 1.00 H new ATOM 0 HB2 ASP A 11 11.256 -7.478 -7.752 1.00 1.00 H new ATOM 0 HB3 ASP A 11 12.113 -5.964 -7.963 1.00 1.00 H new ATOM 171 N GLN A 12 9.598 -4.818 -9.094 1.00 1.00 N ATOM 172 CA GLN A 12 9.324 -3.783 -10.043 1.00 1.00 C ATOM 173 C GLN A 12 8.271 -2.817 -9.621 1.00 1.00 C ATOM 174 O GLN A 12 8.479 -1.604 -9.647 1.00 1.00 O ATOM 175 CB GLN A 12 8.957 -4.389 -11.408 1.00 1.00 C ATOM 176 CG GLN A 12 10.125 -5.086 -12.110 1.00 1.00 C ATOM 177 CD GLN A 12 11.214 -4.080 -12.449 1.00 1.00 C ATOM 178 OE1 GLN A 12 10.970 -3.086 -13.132 1.00 1.00 O ATOM 179 NE2 GLN A 12 12.456 -4.319 -11.947 1.00 1.00 N ATOM 0 H GLN A 12 9.386 -5.753 -9.442 1.00 1.00 H new ATOM 0 HA GLN A 12 10.247 -3.208 -10.115 1.00 1.00 H new ATOM 0 HB2 GLN A 12 8.148 -5.106 -11.271 1.00 1.00 H new ATOM 0 HB3 GLN A 12 8.576 -3.599 -12.055 1.00 1.00 H new ATOM 0 HG2 GLN A 12 10.530 -5.868 -11.467 1.00 1.00 H new ATOM 0 HG3 GLN A 12 9.773 -5.572 -13.020 1.00 1.00 H new ATOM 0 HE21 GLN A 12 12.627 -5.152 -11.384 1.00 1.00 H new ATOM 0 HE22 GLN A 12 13.216 -3.665 -12.134 1.00 1.00 H new ATOM 188 N LEU A 13 7.088 -3.290 -9.191 1.00 1.00 N ATOM 189 CA LEU A 13 6.022 -2.437 -8.769 1.00 1.00 C ATOM 190 C LEU A 13 6.264 -1.739 -7.476 1.00 1.00 C ATOM 191 O LEU A 13 5.988 -0.546 -7.367 1.00 1.00 O ATOM 192 CB LEU A 13 4.673 -3.173 -8.846 1.00 1.00 C ATOM 193 CG LEU A 13 4.372 -4.369 -7.927 1.00 1.00 C ATOM 194 CD1 LEU A 13 3.629 -3.919 -6.657 1.00 1.00 C ATOM 195 CD2 LEU A 13 3.500 -5.404 -8.655 1.00 1.00 C ATOM 0 H LEU A 13 6.868 -4.284 -9.135 1.00 1.00 H new ATOM 0 HA LEU A 13 5.979 -1.612 -9.480 1.00 1.00 H new ATOM 0 HB2 LEU A 13 3.894 -2.431 -8.671 1.00 1.00 H new ATOM 0 HB3 LEU A 13 4.557 -3.521 -9.872 1.00 1.00 H new ATOM 0 HG LEU A 13 5.329 -4.813 -7.652 1.00 1.00 H new ATOM 0 HD11 LEU A 13 3.429 -4.785 -6.026 1.00 1.00 H new ATOM 0 HD12 LEU A 13 4.244 -3.205 -6.109 1.00 1.00 H new ATOM 0 HD13 LEU A 13 2.686 -3.447 -6.935 1.00 1.00 H new ATOM 0 HD21 LEU A 13 3.298 -6.243 -7.989 1.00 1.00 H new ATOM 0 HD22 LEU A 13 2.559 -4.942 -8.953 1.00 1.00 H new ATOM 0 HD23 LEU A 13 4.024 -5.763 -9.541 1.00 1.00 H new ATOM 207 N TRP A 14 6.866 -2.412 -6.477 1.00 1.00 N ATOM 208 CA TRP A 14 7.372 -1.839 -5.269 1.00 1.00 C ATOM 209 C TRP A 14 8.268 -0.668 -5.491 1.00 1.00 C ATOM 210 O TRP A 14 8.092 0.386 -4.885 1.00 1.00 O ATOM 211 CB TRP A 14 8.193 -2.816 -4.411 1.00 1.00 C ATOM 212 CG TRP A 14 7.567 -3.990 -3.696 1.00 1.00 C ATOM 213 CD1 TRP A 14 8.284 -5.036 -3.196 1.00 1.00 C ATOM 214 CD2 TRP A 14 6.193 -4.254 -3.353 1.00 1.00 C ATOM 215 NE1 TRP A 14 7.463 -5.927 -2.558 1.00 1.00 N ATOM 216 CE2 TRP A 14 6.171 -5.466 -2.653 1.00 1.00 C ATOM 217 CE3 TRP A 14 5.030 -3.572 -3.590 1.00 1.00 C ATOM 218 CZ2 TRP A 14 4.994 -5.995 -2.199 1.00 1.00 C ATOM 219 CZ3 TRP A 14 3.851 -4.124 -3.150 1.00 1.00 C ATOM 220 CH2 TRP A 14 3.828 -5.311 -2.456 1.00 1.00 C ATOM 0 H TRP A 14 7.007 -3.421 -6.518 1.00 1.00 H new ATOM 0 HA TRP A 14 6.456 -1.545 -4.757 1.00 1.00 H new ATOM 0 HB2 TRP A 14 8.970 -3.223 -5.058 1.00 1.00 H new ATOM 0 HB3 TRP A 14 8.694 -2.218 -3.650 1.00 1.00 H new ATOM 0 HD1 TRP A 14 9.354 -5.147 -3.290 1.00 1.00 H new ATOM 0 HE1 TRP A 14 7.759 -6.785 -2.092 1.00 1.00 H new ATOM 0 HE3 TRP A 14 5.039 -2.625 -4.109 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 4.980 -6.926 -1.652 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 2.921 -3.614 -3.354 1.00 1.00 H new ATOM 0 HH2 TRP A 14 2.886 -5.710 -2.109 1.00 1.00 H new ATOM 231 N LEU A 15 9.268 -0.807 -6.379 1.00 1.00 N ATOM 232 CA LEU A 15 10.163 0.251 -6.731 1.00 1.00 C ATOM 233 C LEU A 15 9.467 1.403 -7.373 1.00 1.00 C ATOM 234 O LEU A 15 9.651 2.553 -6.979 1.00 1.00 O ATOM 235 CB LEU A 15 11.266 -0.303 -7.648 1.00 1.00 C ATOM 236 CG LEU A 15 12.340 0.694 -8.112 1.00 1.00 C ATOM 237 CD1 LEU A 15 13.051 1.390 -6.939 1.00 1.00 C ATOM 238 CD2 LEU A 15 13.369 -0.038 -8.991 1.00 1.00 C ATOM 0 H LEU A 15 9.460 -1.682 -6.867 1.00 1.00 H new ATOM 0 HA LEU A 15 10.605 0.637 -5.812 1.00 1.00 H new ATOM 0 HB2 LEU A 15 11.763 -1.121 -7.127 1.00 1.00 H new ATOM 0 HB3 LEU A 15 10.792 -0.729 -8.532 1.00 1.00 H new ATOM 0 HG LEU A 15 11.838 1.474 -8.685 1.00 1.00 H new ATOM 0 HD11 LEU A 15 13.799 2.082 -7.326 1.00 1.00 H new ATOM 0 HD12 LEU A 15 12.321 1.939 -6.345 1.00 1.00 H new ATOM 0 HD13 LEU A 15 13.538 0.642 -6.314 1.00 1.00 H new ATOM 0 HD21 LEU A 15 14.132 0.667 -9.322 1.00 1.00 H new ATOM 0 HD22 LEU A 15 13.837 -0.836 -8.415 1.00 1.00 H new ATOM 0 HD23 LEU A 15 12.868 -0.464 -9.860 1.00 1.00 H new ATOM 250 N THR A 16 8.594 1.137 -8.360 1.00 1.00 N ATOM 251 CA THR A 16 7.889 2.131 -9.109 1.00 1.00 C ATOM 252 C THR A 16 6.933 2.938 -8.299 1.00 1.00 C ATOM 253 O THR A 16 6.968 4.167 -8.324 1.00 1.00 O ATOM 254 CB THR A 16 7.207 1.562 -10.319 1.00 1.00 C ATOM 255 OG1 THR A 16 8.112 0.765 -11.070 1.00 1.00 O ATOM 256 CG2 THR A 16 6.762 2.684 -11.273 1.00 1.00 C ATOM 0 H THR A 16 8.369 0.185 -8.650 1.00 1.00 H new ATOM 0 HA THR A 16 8.666 2.817 -9.445 1.00 1.00 H new ATOM 0 HB THR A 16 6.358 0.983 -9.956 1.00 1.00 H new ATOM 0 HG1 THR A 16 8.245 -0.094 -10.617 1.00 1.00 H new ATOM 0 HG21 THR A 16 6.270 2.248 -12.143 1.00 1.00 H new ATOM 0 HG22 THR A 16 6.067 3.346 -10.757 1.00 1.00 H new ATOM 0 HG23 THR A 16 7.633 3.254 -11.596 1.00 1.00 H new ATOM 264 N ILE A 17 6.046 2.311 -7.506 1.00 1.00 N ATOM 265 CA ILE A 17 5.219 2.935 -6.521 1.00 1.00 C ATOM 266 C ILE A 17 5.959 3.749 -5.515 1.00 1.00 C ATOM 267 O ILE A 17 5.613 4.907 -5.288 1.00 1.00 O ATOM 268 CB ILE A 17 4.312 1.947 -5.849 1.00 1.00 C ATOM 269 CG1 ILE A 17 3.384 1.277 -6.878 1.00 1.00 C ATOM 270 CG2 ILE A 17 3.467 2.618 -4.752 1.00 1.00 C ATOM 271 CD1 ILE A 17 2.665 0.043 -6.337 1.00 1.00 C ATOM 0 H ILE A 17 5.898 1.303 -7.557 1.00 1.00 H new ATOM 0 HA ILE A 17 4.611 3.645 -7.082 1.00 1.00 H new ATOM 0 HB ILE A 17 4.942 1.188 -5.385 1.00 1.00 H new ATOM 0 HG12 ILE A 17 2.642 2.002 -7.213 1.00 1.00 H new ATOM 0 HG13 ILE A 17 3.969 0.993 -7.752 1.00 1.00 H new ATOM 0 HG21 ILE A 17 2.821 1.875 -4.285 1.00 1.00 H new ATOM 0 HG22 ILE A 17 4.126 3.051 -3.999 1.00 1.00 H new ATOM 0 HG23 ILE A 17 2.855 3.404 -5.194 1.00 1.00 H new ATOM 0 HD11 ILE A 17 2.028 -0.378 -7.115 1.00 1.00 H new ATOM 0 HD12 ILE A 17 3.400 -0.700 -6.028 1.00 1.00 H new ATOM 0 HD13 ILE A 17 2.053 0.325 -5.481 1.00 1.00 H new ATOM 283 N GLU A 18 7.026 3.219 -4.890 1.00 1.00 N ATOM 284 CA GLU A 18 7.827 3.951 -3.960 1.00 1.00 C ATOM 285 C GLU A 18 8.433 5.166 -4.574 1.00 1.00 C ATOM 286 O GLU A 18 8.329 6.263 -4.026 1.00 1.00 O ATOM 287 CB GLU A 18 8.977 3.124 -3.357 1.00 1.00 C ATOM 288 CG GLU A 18 9.678 3.777 -2.164 1.00 1.00 C ATOM 289 CD GLU A 18 11.103 3.294 -1.936 1.00 1.00 C ATOM 290 OE1 GLU A 18 11.494 2.198 -2.415 1.00 1.00 O ATOM 291 OE2 GLU A 18 11.861 4.052 -1.275 1.00 1.00 O ATOM 0 H GLU A 18 7.339 2.259 -5.035 1.00 1.00 H new ATOM 0 HA GLU A 18 7.129 4.227 -3.170 1.00 1.00 H new ATOM 0 HB2 GLU A 18 8.585 2.156 -3.045 1.00 1.00 H new ATOM 0 HB3 GLU A 18 9.716 2.933 -4.135 1.00 1.00 H new ATOM 0 HG2 GLU A 18 9.692 4.857 -2.312 1.00 1.00 H new ATOM 0 HG3 GLU A 18 9.093 3.586 -1.264 1.00 1.00 H new ATOM 298 N GLU A 19 9.033 5.032 -5.769 1.00 1.00 N ATOM 299 CA GLU A 19 9.573 6.107 -6.542 1.00 1.00 C ATOM 300 C GLU A 19 8.586 7.178 -6.854 1.00 1.00 C ATOM 301 O GLU A 19 8.897 8.365 -6.769 1.00 1.00 O ATOM 302 CB GLU A 19 10.227 5.643 -7.854 1.00 1.00 C ATOM 303 CG GLU A 19 11.230 6.663 -8.398 1.00 1.00 C ATOM 304 CD GLU A 19 11.360 6.678 -9.914 1.00 1.00 C ATOM 305 OE1 GLU A 19 11.952 5.735 -10.504 1.00 1.00 O ATOM 306 OE2 GLU A 19 10.912 7.677 -10.537 1.00 1.00 O ATOM 0 H GLU A 19 9.148 4.125 -6.220 1.00 1.00 H new ATOM 0 HA GLU A 19 10.341 6.524 -5.890 1.00 1.00 H new ATOM 0 HB2 GLU A 19 10.734 4.692 -7.688 1.00 1.00 H new ATOM 0 HB3 GLU A 19 9.452 5.465 -8.600 1.00 1.00 H new ATOM 0 HG2 GLU A 19 10.935 7.657 -8.062 1.00 1.00 H new ATOM 0 HG3 GLU A 19 12.209 6.457 -7.965 1.00 1.00 H new ATOM 313 N ARG A 20 7.326 6.850 -7.192 1.00 1.00 N ATOM 314 CA ARG A 20 6.294 7.828 -7.340 1.00 1.00 C ATOM 315 C ARG A 20 6.072 8.640 -6.110 1.00 1.00 C ATOM 316 O ARG A 20 6.055 9.868 -6.182 1.00 1.00 O ATOM 317 CB ARG A 20 4.944 7.266 -7.813 1.00 1.00 C ATOM 318 CG ARG A 20 3.813 8.292 -7.922 1.00 1.00 C ATOM 319 CD ARG A 20 4.118 9.481 -8.834 1.00 1.00 C ATOM 320 NE ARG A 20 3.081 10.540 -8.675 1.00 1.00 N ATOM 321 CZ ARG A 20 3.110 11.503 -7.708 1.00 1.00 C ATOM 322 NH1 ARG A 20 3.884 11.436 -6.586 1.00 1.00 N ATOM 323 NH2 ARG A 20 2.382 12.651 -7.833 1.00 1.00 N ATOM 0 H ARG A 20 7.020 5.893 -7.365 1.00 1.00 H new ATOM 0 HA ARG A 20 6.683 8.471 -8.130 1.00 1.00 H new ATOM 0 HB2 ARG A 20 5.084 6.799 -8.788 1.00 1.00 H new ATOM 0 HB3 ARG A 20 4.635 6.480 -7.124 1.00 1.00 H new ATOM 0 HG2 ARG A 20 2.918 7.789 -8.289 1.00 1.00 H new ATOM 0 HG3 ARG A 20 3.582 8.666 -6.925 1.00 1.00 H new ATOM 0 HD2 ARG A 20 5.101 9.887 -8.595 1.00 1.00 H new ATOM 0 HD3 ARG A 20 4.153 9.151 -9.872 1.00 1.00 H new ATOM 0 HE ARG A 20 2.300 10.545 -9.331 1.00 1.00 H new ATOM 0 HH11 ARG A 20 4.489 10.630 -6.431 1.00 1.00 H new ATOM 0 HH12 ARG A 20 3.857 12.192 -5.902 1.00 1.00 H new ATOM 0 HH21 ARG A 20 1.803 12.801 -8.660 1.00 1.00 H new ATOM 0 HH22 ARG A 20 2.417 13.359 -7.100 1.00 1.00 H new ATOM 337 N LEU A 21 5.890 8.012 -4.935 1.00 1.00 N ATOM 338 CA LEU A 21 5.608 8.731 -3.730 1.00 1.00 C ATOM 339 C LEU A 21 6.772 9.476 -3.173 1.00 1.00 C ATOM 340 O LEU A 21 6.637 10.637 -2.789 1.00 1.00 O ATOM 341 CB LEU A 21 5.046 7.791 -2.649 1.00 1.00 C ATOM 342 CG LEU A 21 3.529 7.538 -2.689 1.00 1.00 C ATOM 343 CD1 LEU A 21 2.712 8.815 -2.430 1.00 1.00 C ATOM 344 CD2 LEU A 21 3.034 6.831 -3.962 1.00 1.00 C ATOM 0 H LEU A 21 5.938 7.000 -4.818 1.00 1.00 H new ATOM 0 HA LEU A 21 4.864 9.475 -4.014 1.00 1.00 H new ATOM 0 HB2 LEU A 21 5.555 6.831 -2.732 1.00 1.00 H new ATOM 0 HB3 LEU A 21 5.299 8.203 -1.672 1.00 1.00 H new ATOM 0 HG LEU A 21 3.356 6.843 -1.867 1.00 1.00 H new ATOM 0 HD11 LEU A 21 1.648 8.581 -2.469 1.00 1.00 H new ATOM 0 HD12 LEU A 21 2.960 9.212 -1.446 1.00 1.00 H new ATOM 0 HD13 LEU A 21 2.948 9.559 -3.191 1.00 1.00 H new ATOM 0 HD21 LEU A 21 1.954 6.693 -3.905 1.00 1.00 H new ATOM 0 HD22 LEU A 21 3.277 7.439 -4.834 1.00 1.00 H new ATOM 0 HD23 LEU A 21 3.520 5.859 -4.051 1.00 1.00 H new ATOM 356 N ASP A 22 7.949 8.831 -3.077 1.00 1.00 N ATOM 357 CA ASP A 22 9.138 9.353 -2.478 1.00 1.00 C ATOM 358 C ASP A 22 9.834 10.382 -3.303 1.00 1.00 C ATOM 359 O ASP A 22 10.205 11.445 -2.809 1.00 1.00 O ATOM 360 CB ASP A 22 10.051 8.153 -2.177 1.00 1.00 C ATOM 361 CG ASP A 22 11.143 8.465 -1.163 1.00 1.00 C ATOM 362 OD1 ASP A 22 10.839 9.096 -0.116 1.00 1.00 O ATOM 363 OD2 ASP A 22 12.308 8.032 -1.375 1.00 1.00 O ATOM 0 H ASP A 22 8.077 7.887 -3.440 1.00 1.00 H new ATOM 0 HA ASP A 22 8.869 9.888 -1.567 1.00 1.00 H new ATOM 0 HB2 ASP A 22 9.444 7.328 -1.804 1.00 1.00 H new ATOM 0 HB3 ASP A 22 10.513 7.815 -3.105 1.00 1.00 H new ATOM 368 N ASP A 23 10.072 10.113 -4.599 1.00 1.00 N ATOM 369 CA ASP A 23 10.883 10.909 -5.467 1.00 1.00 C ATOM 370 C ASP A 23 10.144 12.049 -6.075 1.00 1.00 C ATOM 371 O ASP A 23 10.688 13.146 -6.197 1.00 1.00 O ATOM 372 CB ASP A 23 11.519 10.005 -6.537 1.00 1.00 C ATOM 373 CG ASP A 23 12.657 10.623 -7.338 1.00 1.00 C ATOM 374 OD1 ASP A 23 13.842 10.505 -6.925 1.00 1.00 O ATOM 375 OD2 ASP A 23 12.398 11.167 -8.444 1.00 1.00 O ATOM 0 H ASP A 23 9.677 9.296 -5.066 1.00 1.00 H new ATOM 0 HA ASP A 23 11.669 11.366 -4.866 1.00 1.00 H new ATOM 0 HB2 ASP A 23 11.891 9.104 -6.049 1.00 1.00 H new ATOM 0 HB3 ASP A 23 10.739 9.693 -7.232 1.00 1.00 H new ATOM 380 N TRP A 24 8.876 11.882 -6.490 1.00 1.00 N ATOM 381 CA TRP A 24 8.074 12.981 -6.931 1.00 1.00 C ATOM 382 C TRP A 24 7.427 13.615 -5.747 1.00 1.00 C ATOM 383 O TRP A 24 6.506 13.079 -5.134 1.00 1.00 O ATOM 384 CB TRP A 24 7.003 12.628 -7.979 1.00 1.00 C ATOM 385 CG TRP A 24 6.427 13.773 -8.776 1.00 1.00 C ATOM 386 CD1 TRP A 24 6.555 15.120 -8.600 1.00 1.00 C ATOM 387 CD2 TRP A 24 5.578 13.603 -9.928 1.00 1.00 C ATOM 388 NE1 TRP A 24 5.846 15.798 -9.557 1.00 1.00 N ATOM 389 CE2 TRP A 24 5.225 14.883 -10.375 1.00 1.00 C ATOM 390 CE3 TRP A 24 5.123 12.490 -10.579 1.00 1.00 C ATOM 391 CZ2 TRP A 24 4.417 15.048 -11.466 1.00 1.00 C ATOM 392 CZ3 TRP A 24 4.305 12.664 -11.671 1.00 1.00 C ATOM 393 CH2 TRP A 24 3.959 13.921 -12.107 1.00 1.00 C ATOM 0 H TRP A 24 8.403 10.979 -6.520 1.00 1.00 H new ATOM 0 HA TRP A 24 8.755 13.666 -7.436 1.00 1.00 H new ATOM 0 HB2 TRP A 24 7.435 11.911 -8.678 1.00 1.00 H new ATOM 0 HB3 TRP A 24 6.183 12.122 -7.469 1.00 1.00 H new ATOM 0 HD1 TRP A 24 7.134 15.586 -7.817 1.00 1.00 H new ATOM 0 HE1 TRP A 24 5.788 16.812 -9.648 1.00 1.00 H new ATOM 0 HE3 TRP A 24 5.399 11.501 -10.245 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 4.147 16.034 -11.814 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 3.928 11.798 -12.195 1.00 1.00 H new ATOM 0 HH2 TRP A 24 3.316 14.025 -12.968 1.00 1.00 H new ATOM 404 N ASP A 25 7.930 14.803 -5.371 1.00 1.00 N ATOM 405 CA ASP A 25 7.678 15.432 -4.111 1.00 1.00 C ATOM 406 C ASP A 25 6.375 16.150 -4.052 1.00 1.00 C ATOM 407 O ASP A 25 5.517 16.061 -4.929 1.00 1.00 O ATOM 408 CB ASP A 25 8.892 16.328 -3.811 1.00 1.00 C ATOM 409 CG ASP A 25 9.268 16.373 -2.337 1.00 1.00 C ATOM 410 OD1 ASP A 25 8.484 16.940 -1.531 1.00 1.00 O ATOM 411 OD2 ASP A 25 10.384 15.903 -1.987 1.00 1.00 O ATOM 0 H ASP A 25 8.542 15.352 -5.974 1.00 1.00 H new ATOM 0 HA ASP A 25 7.569 14.678 -3.331 1.00 1.00 H new ATOM 0 HB2 ASP A 25 9.747 15.970 -4.385 1.00 1.00 H new ATOM 0 HB3 ASP A 25 8.679 17.341 -4.154 1.00 1.00 H new ATOM 416 N GLY A 26 6.141 16.902 -2.961 1.00 1.00 N ATOM 417 CA GLY A 26 4.878 17.515 -2.690 1.00 1.00 C ATOM 418 C GLY A 26 4.984 18.539 -1.611 1.00 1.00 C ATOM 419 O GLY A 26 6.065 18.921 -1.167 1.00 1.00 O ATOM 0 H GLY A 26 6.848 17.088 -2.250 1.00 1.00 H new ATOM 0 HA2 GLY A 26 4.497 17.981 -3.599 1.00 1.00 H new ATOM 0 HA3 GLY A 26 4.158 16.751 -2.398 1.00 1.00 H new ATOM 423 N ASP A 27 3.823 19.038 -1.154 1.00 1.00 N ATOM 424 CA ASP A 27 3.731 20.003 -0.103 1.00 1.00 C ATOM 425 C ASP A 27 3.787 19.340 1.230 1.00 1.00 C ATOM 426 O ASP A 27 4.428 19.821 2.162 1.00 1.00 O ATOM 427 CB ASP A 27 2.422 20.795 -0.270 1.00 1.00 C ATOM 428 CG ASP A 27 2.605 22.208 0.263 1.00 1.00 C ATOM 429 OD1 ASP A 27 3.337 22.996 -0.393 1.00 1.00 O ATOM 430 OD2 ASP A 27 2.021 22.550 1.326 1.00 1.00 O ATOM 0 H ASP A 27 2.916 18.760 -1.529 1.00 1.00 H new ATOM 0 HA ASP A 27 4.577 20.687 -0.161 1.00 1.00 H new ATOM 0 HB2 ASP A 27 2.137 20.827 -1.322 1.00 1.00 H new ATOM 0 HB3 ASP A 27 1.613 20.296 0.265 1.00 1.00 H new ATOM 435 N SER A 28 3.130 18.171 1.346 1.00 1.00 N ATOM 436 CA SER A 28 3.170 17.341 2.509 1.00 1.00 C ATOM 437 C SER A 28 4.391 16.487 2.535 1.00 1.00 C ATOM 438 O SER A 28 5.026 16.218 1.517 1.00 1.00 O ATOM 439 CB SER A 28 1.972 16.382 2.609 1.00 1.00 C ATOM 440 OG SER A 28 0.779 17.046 2.999 1.00 1.00 O ATOM 0 H SER A 28 2.548 17.790 0.600 1.00 1.00 H new ATOM 0 HA SER A 28 3.156 18.043 3.343 1.00 1.00 H new ATOM 0 HB2 SER A 28 1.816 15.897 1.645 1.00 1.00 H new ATOM 0 HB3 SER A 28 2.199 15.595 3.329 1.00 1.00 H new ATOM 0 HG SER A 28 0.045 16.398 3.048 1.00 1.00 H new ATOM 446 N ASP A 29 4.746 15.984 3.730 1.00 1.00 N ATOM 447 CA ASP A 29 5.833 15.082 3.955 1.00 1.00 C ATOM 448 C ASP A 29 5.478 13.699 3.529 1.00 1.00 C ATOM 449 O ASP A 29 4.361 13.432 3.086 1.00 1.00 O ATOM 450 CB ASP A 29 6.228 15.194 5.437 1.00 1.00 C ATOM 451 CG ASP A 29 7.726 15.026 5.651 1.00 1.00 C ATOM 452 OD1 ASP A 29 8.247 13.907 5.398 1.00 1.00 O ATOM 453 OD2 ASP A 29 8.385 15.998 6.108 1.00 1.00 O ATOM 0 H ASP A 29 4.246 16.220 4.587 1.00 1.00 H new ATOM 0 HA ASP A 29 6.699 15.344 3.347 1.00 1.00 H new ATOM 0 HB2 ASP A 29 5.915 16.165 5.822 1.00 1.00 H new ATOM 0 HB3 ASP A 29 5.694 14.437 6.011 1.00 1.00 H new ATOM 458 N ILE A 30 6.431 12.753 3.600 1.00 1.00 N ATOM 459 CA ILE A 30 6.304 11.469 2.983 1.00 1.00 C ATOM 460 C ILE A 30 7.235 10.483 3.604 1.00 1.00 C ATOM 461 O ILE A 30 8.460 10.574 3.544 1.00 1.00 O ATOM 462 CB ILE A 30 6.427 11.512 1.490 1.00 1.00 C ATOM 463 CG1 ILE A 30 6.117 10.170 0.804 1.00 1.00 C ATOM 464 CG2 ILE A 30 7.778 12.075 1.014 1.00 1.00 C ATOM 465 CD1 ILE A 30 4.661 9.731 0.954 1.00 1.00 C ATOM 0 H ILE A 30 7.311 12.883 4.098 1.00 1.00 H new ATOM 0 HA ILE A 30 5.286 11.129 3.173 1.00 1.00 H new ATOM 0 HB ILE A 30 5.651 12.210 1.175 1.00 1.00 H new ATOM 0 HG12 ILE A 30 6.357 10.249 -0.256 1.00 1.00 H new ATOM 0 HG13 ILE A 30 6.765 9.399 1.221 1.00 1.00 H new ATOM 0 HG21 ILE A 30 7.806 12.081 -0.076 1.00 1.00 H new ATOM 0 HG22 ILE A 30 7.899 13.093 1.385 1.00 1.00 H new ATOM 0 HG23 ILE A 30 8.587 11.451 1.395 1.00 1.00 H new ATOM 0 HD11 ILE A 30 4.514 8.778 0.446 1.00 1.00 H new ATOM 0 HD12 ILE A 30 4.422 9.620 2.012 1.00 1.00 H new ATOM 0 HD13 ILE A 30 4.007 10.482 0.511 1.00 1.00 H new ATOM 477 N ASP A 31 6.654 9.457 4.254 1.00 1.00 N ATOM 478 CA ASP A 31 7.353 8.300 4.720 1.00 1.00 C ATOM 479 C ASP A 31 6.709 7.072 4.177 1.00 1.00 C ATOM 480 O ASP A 31 5.673 6.627 4.670 1.00 1.00 O ATOM 481 CB ASP A 31 7.309 8.184 6.253 1.00 1.00 C ATOM 482 CG ASP A 31 8.019 9.309 6.993 1.00 1.00 C ATOM 483 OD1 ASP A 31 9.277 9.358 6.948 1.00 1.00 O ATOM 484 OD2 ASP A 31 7.336 10.079 7.721 1.00 1.00 O ATOM 0 H ASP A 31 5.656 9.434 4.463 1.00 1.00 H new ATOM 0 HA ASP A 31 8.386 8.399 4.387 1.00 1.00 H new ATOM 0 HB2 ASP A 31 6.267 8.157 6.573 1.00 1.00 H new ATOM 0 HB3 ASP A 31 7.757 7.234 6.546 1.00 1.00 H new ATOM 489 N CYS A 32 7.276 6.422 3.144 1.00 1.00 N ATOM 490 CA CYS A 32 6.875 5.102 2.770 1.00 1.00 C ATOM 491 C CYS A 32 7.743 4.076 3.412 1.00 1.00 C ATOM 492 O CYS A 32 8.968 4.111 3.295 1.00 1.00 O ATOM 493 CB CYS A 32 6.889 4.950 1.240 1.00 1.00 C ATOM 494 SG CYS A 32 5.953 6.263 0.399 1.00 1.00 S ATOM 0 H CYS A 32 8.018 6.815 2.564 1.00 1.00 H new ATOM 0 HA CYS A 32 5.856 4.943 3.123 1.00 1.00 H new ATOM 0 HB2 CYS A 32 7.920 4.961 0.887 1.00 1.00 H new ATOM 0 HB3 CYS A 32 6.470 3.980 0.971 1.00 1.00 H new ATOM 0 HG CYS A 32 5.462 5.802 -0.713 1.00 1.00 H new ATOM 500 N GLU A 33 7.148 3.115 4.139 1.00 1.00 N ATOM 501 CA GLU A 33 7.833 2.103 4.880 1.00 1.00 C ATOM 502 C GLU A 33 8.059 0.893 4.043 1.00 1.00 C ATOM 503 O GLU A 33 7.135 0.389 3.405 1.00 1.00 O ATOM 504 CB GLU A 33 7.046 1.669 6.128 1.00 1.00 C ATOM 505 CG GLU A 33 7.556 2.263 7.442 1.00 1.00 C ATOM 506 CD GLU A 33 8.585 1.414 8.174 1.00 1.00 C ATOM 507 OE1 GLU A 33 8.184 0.556 9.004 1.00 1.00 O ATOM 508 OE2 GLU A 33 9.812 1.632 7.988 1.00 1.00 O ATOM 0 H GLU A 33 6.133 3.040 4.214 1.00 1.00 H new ATOM 0 HA GLU A 33 8.783 2.541 5.185 1.00 1.00 H new ATOM 0 HB2 GLU A 33 6.001 1.951 5.999 1.00 1.00 H new ATOM 0 HB3 GLU A 33 7.076 0.582 6.200 1.00 1.00 H new ATOM 0 HG2 GLU A 33 7.993 3.240 7.236 1.00 1.00 H new ATOM 0 HG3 GLU A 33 6.705 2.427 8.104 1.00 1.00 H new ATOM 515 N ILE A 34 9.306 0.389 4.063 1.00 1.00 N ATOM 516 CA ILE A 34 9.776 -0.745 3.331 1.00 1.00 C ATOM 517 C ILE A 34 9.913 -1.852 4.320 1.00 1.00 C ATOM 518 O ILE A 34 10.810 -1.882 5.160 1.00 1.00 O ATOM 519 CB ILE A 34 11.095 -0.548 2.645 1.00 1.00 C ATOM 520 CG1 ILE A 34 11.358 0.885 2.152 1.00 1.00 C ATOM 521 CG2 ILE A 34 11.222 -1.582 1.513 1.00 1.00 C ATOM 522 CD1 ILE A 34 10.393 1.425 1.098 1.00 1.00 C ATOM 0 H ILE A 34 10.040 0.807 4.635 1.00 1.00 H new ATOM 0 HA ILE A 34 9.062 -0.948 2.533 1.00 1.00 H new ATOM 0 HB ILE A 34 11.874 -0.708 3.390 1.00 1.00 H new ATOM 0 HG12 ILE A 34 11.333 1.553 3.013 1.00 1.00 H new ATOM 0 HG13 ILE A 34 12.368 0.927 1.745 1.00 1.00 H new ATOM 0 HG21 ILE A 34 12.177 -1.450 1.005 1.00 1.00 H new ATOM 0 HG22 ILE A 34 11.169 -2.587 1.931 1.00 1.00 H new ATOM 0 HG23 ILE A 34 10.410 -1.442 0.800 1.00 1.00 H new ATOM 0 HD11 ILE A 34 10.679 2.442 0.830 1.00 1.00 H new ATOM 0 HD12 ILE A 34 10.430 0.791 0.212 1.00 1.00 H new ATOM 0 HD13 ILE A 34 9.380 1.427 1.500 1.00 1.00 H new ATOM 534 N ASN A 35 8.972 -2.812 4.265 1.00 1.00 N ATOM 535 CA ASN A 35 8.908 -3.900 5.190 1.00 1.00 C ATOM 536 C ASN A 35 8.721 -5.202 4.493 1.00 1.00 C ATOM 537 O ASN A 35 7.724 -5.897 4.690 1.00 1.00 O ATOM 538 CB ASN A 35 7.825 -3.606 6.243 1.00 1.00 C ATOM 539 CG ASN A 35 8.112 -4.253 7.590 1.00 1.00 C ATOM 540 OD1 ASN A 35 8.313 -3.555 8.582 1.00 1.00 O ATOM 541 ND2 ASN A 35 8.152 -5.612 7.640 1.00 1.00 N ATOM 0 H ASN A 35 8.237 -2.832 3.559 1.00 1.00 H new ATOM 0 HA ASN A 35 9.860 -3.994 5.713 1.00 1.00 H new ATOM 0 HB2 ASN A 35 7.739 -2.528 6.376 1.00 1.00 H new ATOM 0 HB3 ASN A 35 6.862 -3.960 5.874 1.00 1.00 H new ATOM 0 HD21 ASN A 35 8.354 -6.084 8.521 1.00 1.00 H new ATOM 0 HD22 ASN A 35 7.980 -6.159 6.796 1.00 1.00 H new ATOM 548 N GLY A 36 9.714 -5.597 3.678 1.00 1.00 N ATOM 549 CA GLY A 36 9.903 -6.868 3.051 1.00 1.00 C ATOM 550 C GLY A 36 8.715 -7.661 2.623 1.00 1.00 C ATOM 551 O GLY A 36 8.425 -8.714 3.188 1.00 1.00 O ATOM 0 H GLY A 36 10.466 -4.953 3.433 1.00 1.00 H new ATOM 0 HA2 GLY A 36 10.523 -6.708 2.169 1.00 1.00 H new ATOM 0 HA3 GLY A 36 10.479 -7.488 3.738 1.00 1.00 H new ATOM 555 N GLY A 37 7.974 -7.168 1.616 1.00 1.00 N ATOM 556 CA GLY A 37 6.740 -7.746 1.178 1.00 1.00 C ATOM 557 C GLY A 37 5.598 -6.820 1.425 1.00 1.00 C ATOM 558 O GLY A 37 4.559 -6.911 0.773 1.00 1.00 O ATOM 0 H GLY A 37 8.242 -6.338 1.087 1.00 1.00 H new ATOM 0 HA2 GLY A 37 6.801 -7.979 0.115 1.00 1.00 H new ATOM 0 HA3 GLY A 37 6.569 -8.687 1.701 1.00 1.00 H new ATOM 562 N VAL A 38 5.765 -5.885 2.377 1.00 1.00 N ATOM 563 CA VAL A 38 4.832 -4.839 2.663 1.00 1.00 C ATOM 564 C VAL A 38 5.427 -3.548 2.218 1.00 1.00 C ATOM 565 O VAL A 38 6.610 -3.287 2.433 1.00 1.00 O ATOM 566 CB VAL A 38 4.519 -4.784 4.128 1.00 1.00 C ATOM 567 CG1 VAL A 38 3.652 -3.572 4.511 1.00 1.00 C ATOM 568 CG2 VAL A 38 3.789 -6.067 4.562 1.00 1.00 C ATOM 0 H VAL A 38 6.590 -5.857 2.976 1.00 1.00 H new ATOM 0 HA VAL A 38 3.899 -5.030 2.133 1.00 1.00 H new ATOM 0 HB VAL A 38 5.475 -4.688 4.643 1.00 1.00 H new ATOM 0 HG11 VAL A 38 3.459 -3.587 5.584 1.00 1.00 H new ATOM 0 HG12 VAL A 38 4.176 -2.653 4.249 1.00 1.00 H new ATOM 0 HG13 VAL A 38 2.706 -3.616 3.972 1.00 1.00 H new ATOM 0 HG21 VAL A 38 3.567 -6.016 5.628 1.00 1.00 H new ATOM 0 HG22 VAL A 38 2.859 -6.164 4.001 1.00 1.00 H new ATOM 0 HG23 VAL A 38 4.423 -6.931 4.365 1.00 1.00 H new ATOM 578 N LEU A 39 4.635 -2.674 1.570 1.00 1.00 N ATOM 579 CA LEU A 39 4.871 -1.264 1.552 1.00 1.00 C ATOM 580 C LEU A 39 3.700 -0.570 2.160 1.00 1.00 C ATOM 581 O LEU A 39 2.546 -0.778 1.790 1.00 1.00 O ATOM 582 CB LEU A 39 5.024 -0.695 0.131 1.00 1.00 C ATOM 583 CG LEU A 39 6.392 -0.964 -0.518 1.00 1.00 C ATOM 584 CD1 LEU A 39 6.390 -0.537 -1.996 1.00 1.00 C ATOM 585 CD2 LEU A 39 7.528 -0.201 0.183 1.00 1.00 C ATOM 0 H LEU A 39 3.808 -2.956 1.044 1.00 1.00 H new ATOM 0 HA LEU A 39 5.798 -1.100 2.101 1.00 1.00 H new ATOM 0 HB2 LEU A 39 4.245 -1.119 -0.503 1.00 1.00 H new ATOM 0 HB3 LEU A 39 4.857 0.382 0.164 1.00 1.00 H new ATOM 0 HG LEU A 39 6.564 -2.036 -0.424 1.00 1.00 H new ATOM 0 HD11 LEU A 39 7.368 -0.737 -2.434 1.00 1.00 H new ATOM 0 HD12 LEU A 39 5.629 -1.100 -2.536 1.00 1.00 H new ATOM 0 HD13 LEU A 39 6.172 0.529 -2.067 1.00 1.00 H new ATOM 0 HD21 LEU A 39 8.474 -0.423 -0.311 1.00 1.00 H new ATOM 0 HD22 LEU A 39 7.334 0.870 0.130 1.00 1.00 H new ATOM 0 HD23 LEU A 39 7.583 -0.509 1.227 1.00 1.00 H new ATOM 597 N THR A 40 3.978 0.331 3.119 1.00 1.00 N ATOM 598 CA THR A 40 2.975 1.124 3.758 1.00 1.00 C ATOM 599 C THR A 40 3.325 2.559 3.569 1.00 1.00 C ATOM 600 O THR A 40 4.380 3.048 3.970 1.00 1.00 O ATOM 601 CB THR A 40 2.806 0.815 5.216 1.00 1.00 C ATOM 602 OG1 THR A 40 4.023 0.440 5.848 1.00 1.00 O ATOM 603 CG2 THR A 40 1.826 -0.359 5.379 1.00 1.00 C ATOM 0 H THR A 40 4.923 0.512 3.458 1.00 1.00 H new ATOM 0 HA THR A 40 2.017 0.888 3.295 1.00 1.00 H new ATOM 0 HB THR A 40 2.438 1.728 5.684 1.00 1.00 H new ATOM 0 HG1 THR A 40 3.855 0.252 6.795 1.00 1.00 H new ATOM 0 HG21 THR A 40 1.702 -0.585 6.438 1.00 1.00 H new ATOM 0 HG22 THR A 40 0.861 -0.090 4.950 1.00 1.00 H new ATOM 0 HG23 THR A 40 2.220 -1.236 4.865 1.00 1.00 H new ATOM 611 N ILE A 41 2.441 3.305 2.882 1.00 1.00 N ATOM 612 CA ILE A 41 2.685 4.656 2.481 1.00 1.00 C ATOM 613 C ILE A 41 2.052 5.564 3.478 1.00 1.00 C ATOM 614 O ILE A 41 0.875 5.402 3.799 1.00 1.00 O ATOM 615 CB ILE A 41 2.134 4.907 1.108 1.00 1.00 C ATOM 616 CG1 ILE A 41 2.840 4.023 0.066 1.00 1.00 C ATOM 617 CG2 ILE A 41 2.178 6.396 0.729 1.00 1.00 C ATOM 618 CD1 ILE A 41 2.103 3.945 -1.270 1.00 1.00 C ATOM 0 H ILE A 41 1.526 2.956 2.596 1.00 1.00 H new ATOM 0 HA ILE A 41 3.758 4.843 2.442 1.00 1.00 H new ATOM 0 HB ILE A 41 1.080 4.628 1.119 1.00 1.00 H new ATOM 0 HG12 ILE A 41 3.845 4.409 -0.105 1.00 1.00 H new ATOM 0 HG13 ILE A 41 2.950 3.017 0.470 1.00 1.00 H new ATOM 0 HG21 ILE A 41 1.769 6.529 -0.273 1.00 1.00 H new ATOM 0 HG22 ILE A 41 1.586 6.970 1.442 1.00 1.00 H new ATOM 0 HG23 ILE A 41 3.210 6.746 0.749 1.00 1.00 H new ATOM 0 HD11 ILE A 41 2.659 3.305 -1.955 1.00 1.00 H new ATOM 0 HD12 ILE A 41 1.107 3.530 -1.113 1.00 1.00 H new ATOM 0 HD13 ILE A 41 2.016 4.944 -1.697 1.00 1.00 H new ATOM 630 N THR A 42 2.815 6.536 4.010 1.00 1.00 N ATOM 631 CA THR A 42 2.280 7.519 4.898 1.00 1.00 C ATOM 632 C THR A 42 2.629 8.915 4.508 1.00 1.00 C ATOM 633 O THR A 42 3.795 9.284 4.380 1.00 1.00 O ATOM 634 CB THR A 42 2.573 7.341 6.359 1.00 1.00 C ATOM 635 OG1 THR A 42 3.954 7.389 6.685 1.00 1.00 O ATOM 636 CG2 THR A 42 2.045 5.984 6.855 1.00 1.00 C ATOM 0 H THR A 42 3.812 6.640 3.822 1.00 1.00 H new ATOM 0 HA THR A 42 1.210 7.346 4.778 1.00 1.00 H new ATOM 0 HB THR A 42 2.074 8.180 6.844 1.00 1.00 H new ATOM 0 HG1 THR A 42 4.486 7.194 5.885 1.00 1.00 H new ATOM 0 HG21 THR A 42 2.267 5.873 7.916 1.00 1.00 H new ATOM 0 HG22 THR A 42 0.967 5.935 6.703 1.00 1.00 H new ATOM 0 HG23 THR A 42 2.527 5.180 6.298 1.00 1.00 H new ATOM 644 N PHE A 43 1.608 9.761 4.287 1.00 1.00 N ATOM 645 CA PHE A 43 1.728 11.183 4.184 1.00 1.00 C ATOM 646 C PHE A 43 0.893 11.831 5.234 1.00 1.00 C ATOM 647 O PHE A 43 0.056 11.182 5.860 1.00 1.00 O ATOM 648 CB PHE A 43 1.433 11.702 2.767 1.00 1.00 C ATOM 649 CG PHE A 43 0.210 11.129 2.137 1.00 1.00 C ATOM 650 CD1 PHE A 43 -1.043 11.451 2.602 1.00 1.00 C ATOM 651 CD2 PHE A 43 0.320 10.318 1.032 1.00 1.00 C ATOM 652 CE1 PHE A 43 -2.171 10.981 1.973 1.00 1.00 C ATOM 653 CE2 PHE A 43 -0.802 9.847 0.391 1.00 1.00 C ATOM 654 CZ PHE A 43 -2.051 10.186 0.858 1.00 1.00 C ATOM 0 H PHE A 43 0.648 9.436 4.174 1.00 1.00 H new ATOM 0 HA PHE A 43 2.767 11.458 4.364 1.00 1.00 H new ATOM 0 HB2 PHE A 43 1.331 12.787 2.806 1.00 1.00 H new ATOM 0 HB3 PHE A 43 2.290 11.485 2.129 1.00 1.00 H new ATOM 0 HD1 PHE A 43 -1.142 12.082 3.473 1.00 1.00 H new ATOM 0 HD2 PHE A 43 1.299 10.048 0.663 1.00 1.00 H new ATOM 0 HE1 PHE A 43 -3.149 11.236 2.354 1.00 1.00 H new ATOM 0 HE2 PHE A 43 -0.703 9.212 -0.477 1.00 1.00 H new ATOM 0 HZ PHE A 43 -2.935 9.829 0.350 1.00 1.00 H new ATOM 664 N GLU A 44 1.072 13.145 5.456 1.00 1.00 N ATOM 665 CA GLU A 44 0.512 13.923 6.518 1.00 1.00 C ATOM 666 C GLU A 44 -0.960 13.874 6.739 1.00 1.00 C ATOM 667 O GLU A 44 -1.419 13.898 7.880 1.00 1.00 O ATOM 668 CB GLU A 44 0.933 15.392 6.345 1.00 1.00 C ATOM 669 CG GLU A 44 2.436 15.597 6.540 1.00 1.00 C ATOM 670 CD GLU A 44 2.783 17.076 6.636 1.00 1.00 C ATOM 671 OE1 GLU A 44 2.380 17.744 7.625 1.00 1.00 O ATOM 672 OE2 GLU A 44 3.474 17.591 5.717 1.00 1.00 O ATOM 0 H GLU A 44 1.658 13.709 4.840 1.00 1.00 H new ATOM 0 HA GLU A 44 0.920 13.446 7.409 1.00 1.00 H new ATOM 0 HB2 GLU A 44 0.649 15.733 5.349 1.00 1.00 H new ATOM 0 HB3 GLU A 44 0.389 16.009 7.060 1.00 1.00 H new ATOM 0 HG2 GLU A 44 2.761 15.085 7.446 1.00 1.00 H new ATOM 0 HG3 GLU A 44 2.978 15.147 5.708 1.00 1.00 H new ATOM 679 N ASN A 45 -1.784 13.780 5.679 1.00 1.00 N ATOM 680 CA ASN A 45 -3.204 13.675 5.796 1.00 1.00 C ATOM 681 C ASN A 45 -3.696 12.405 6.399 1.00 1.00 C ATOM 682 O ASN A 45 -4.892 12.248 6.639 1.00 1.00 O ATOM 683 CB ASN A 45 -3.890 13.897 4.437 1.00 1.00 C ATOM 684 CG ASN A 45 -3.776 15.352 4.002 1.00 1.00 C ATOM 685 OD1 ASN A 45 -3.271 16.226 4.705 1.00 1.00 O ATOM 686 ND2 ASN A 45 -4.314 15.659 2.791 1.00 1.00 N ATOM 0 H ASN A 45 -1.452 13.777 4.714 1.00 1.00 H new ATOM 0 HA ASN A 45 -3.475 14.466 6.495 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -3.435 13.252 3.686 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -4.941 13.615 4.505 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -4.301 16.623 2.457 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -4.730 14.926 2.217 1.00 1.00 H new ATOM 693 N GLY A 46 -2.815 11.436 6.703 1.00 1.00 N ATOM 694 CA GLY A 46 -3.085 10.368 7.618 1.00 1.00 C ATOM 695 C GLY A 46 -3.972 9.288 7.101 1.00 1.00 C ATOM 696 O GLY A 46 -4.596 8.554 7.866 1.00 1.00 O ATOM 0 H GLY A 46 -1.880 11.393 6.298 1.00 1.00 H new ATOM 0 HA2 GLY A 46 -2.137 9.922 7.919 1.00 1.00 H new ATOM 0 HA3 GLY A 46 -3.539 10.788 8.516 1.00 1.00 H new ATOM 700 N SER A 47 -4.052 9.152 5.766 1.00 1.00 N ATOM 701 CA SER A 47 -4.924 8.240 5.093 1.00 1.00 C ATOM 702 C SER A 47 -4.476 6.823 5.198 1.00 1.00 C ATOM 703 O SER A 47 -5.276 5.949 5.525 1.00 1.00 O ATOM 704 CB SER A 47 -5.090 8.628 3.615 1.00 1.00 C ATOM 705 OG SER A 47 -5.643 9.935 3.542 1.00 1.00 O ATOM 0 H SER A 47 -3.482 9.704 5.125 1.00 1.00 H new ATOM 0 HA SER A 47 -5.887 8.313 5.598 1.00 1.00 H new ATOM 0 HB2 SER A 47 -4.126 8.597 3.107 1.00 1.00 H new ATOM 0 HB3 SER A 47 -5.740 7.915 3.109 1.00 1.00 H new ATOM 0 HG SER A 47 -5.427 10.334 2.673 1.00 1.00 H new ATOM 711 N LYS A 48 -3.177 6.573 4.947 1.00 1.00 N ATOM 712 CA LYS A 48 -2.483 5.342 5.162 1.00 1.00 C ATOM 713 C LYS A 48 -2.773 4.279 4.160 1.00 1.00 C ATOM 714 O LYS A 48 -3.854 3.691 4.125 1.00 1.00 O ATOM 715 CB LYS A 48 -2.603 4.790 6.593 1.00 1.00 C ATOM 716 CG LYS A 48 -2.209 5.786 7.686 1.00 1.00 C ATOM 717 CD LYS A 48 -2.390 5.188 9.083 1.00 1.00 C ATOM 718 CE LYS A 48 -2.244 6.215 10.207 1.00 1.00 C ATOM 719 NZ LYS A 48 -2.341 5.542 11.523 1.00 1.00 N ATOM 0 H LYS A 48 -2.565 7.293 4.562 1.00 1.00 H new ATOM 0 HA LYS A 48 -1.443 5.632 5.015 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -3.631 4.471 6.762 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -1.975 3.903 6.682 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -1.170 6.085 7.549 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -2.815 6.687 7.594 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -3.376 4.727 9.148 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -1.657 4.395 9.228 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -1.286 6.727 10.121 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -3.020 6.975 10.120 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -2.241 6.247 12.281 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -3.266 5.073 11.606 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -1.585 4.833 11.607 1.00 1.00 H new ATOM 733 N ILE A 49 -1.807 3.989 3.272 1.00 1.00 N ATOM 734 CA ILE A 49 -1.992 3.031 2.226 1.00 1.00 C ATOM 735 C ILE A 49 -1.301 1.778 2.643 1.00 1.00 C ATOM 736 O ILE A 49 -0.196 1.834 3.180 1.00 1.00 O ATOM 737 CB ILE A 49 -1.467 3.470 0.891 1.00 1.00 C ATOM 738 CG1 ILE A 49 -1.545 4.992 0.686 1.00 1.00 C ATOM 739 CG2 ILE A 49 -2.193 2.714 -0.234 1.00 1.00 C ATOM 740 CD1 ILE A 49 -2.938 5.612 0.779 1.00 1.00 C ATOM 0 H ILE A 49 -0.885 4.425 3.279 1.00 1.00 H new ATOM 0 HA ILE A 49 -3.064 2.893 2.088 1.00 1.00 H new ATOM 0 HB ILE A 49 -0.406 3.220 0.861 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -0.906 5.471 1.428 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -1.129 5.228 -0.293 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -1.806 3.039 -1.200 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -2.027 1.643 -0.118 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -3.261 2.924 -0.183 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -2.869 6.688 0.618 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -3.584 5.172 0.019 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -3.357 5.419 1.767 1.00 1.00 H new ATOM 752 N ILE A 50 -1.942 0.612 2.447 1.00 1.00 N ATOM 753 CA ILE A 50 -1.508 -0.641 2.983 1.00 1.00 C ATOM 754 C ILE A 50 -1.386 -1.635 1.879 1.00 1.00 C ATOM 755 O ILE A 50 -2.372 -2.132 1.340 1.00 1.00 O ATOM 756 CB ILE A 50 -2.505 -1.189 3.959 1.00 1.00 C ATOM 757 CG1 ILE A 50 -3.076 -0.155 4.946 1.00 1.00 C ATOM 758 CG2 ILE A 50 -1.971 -2.434 4.685 1.00 1.00 C ATOM 759 CD1 ILE A 50 -2.094 0.359 5.997 1.00 1.00 C ATOM 0 H ILE A 50 -2.796 0.539 1.894 1.00 1.00 H new ATOM 0 HA ILE A 50 -0.554 -0.473 3.483 1.00 1.00 H new ATOM 0 HB ILE A 50 -3.355 -1.490 3.346 1.00 1.00 H new ATOM 0 HG12 ILE A 50 -3.452 0.696 4.378 1.00 1.00 H new ATOM 0 HG13 ILE A 50 -3.930 -0.599 5.458 1.00 1.00 H new ATOM 0 HG21 ILE A 50 -2.724 -2.799 5.383 1.00 1.00 H new ATOM 0 HG22 ILE A 50 -1.745 -3.212 3.955 1.00 1.00 H new ATOM 0 HG23 ILE A 50 -1.065 -2.175 5.232 1.00 1.00 H new ATOM 0 HD11 ILE A 50 -2.595 1.081 6.641 1.00 1.00 H new ATOM 0 HD12 ILE A 50 -1.735 -0.476 6.599 1.00 1.00 H new ATOM 0 HD13 ILE A 50 -1.250 0.839 5.502 1.00 1.00 H new ATOM 771 N ILE A 51 -0.149 -1.960 1.461 1.00 1.00 N ATOM 772 CA ILE A 51 0.104 -2.748 0.294 1.00 1.00 C ATOM 773 C ILE A 51 0.986 -3.898 0.639 1.00 1.00 C ATOM 774 O ILE A 51 2.035 -3.752 1.266 1.00 1.00 O ATOM 775 CB ILE A 51 0.669 -1.928 -0.827 1.00 1.00 C ATOM 776 CG1 ILE A 51 -0.206 -0.668 -0.938 1.00 1.00 C ATOM 777 CG2 ILE A 51 0.661 -2.753 -2.126 1.00 1.00 C ATOM 778 CD1 ILE A 51 -0.086 0.102 -2.253 1.00 1.00 C ATOM 0 H ILE A 51 0.698 -1.667 1.948 1.00 1.00 H new ATOM 0 HA ILE A 51 -0.848 -3.139 -0.066 1.00 1.00 H new ATOM 0 HB ILE A 51 1.704 -1.641 -0.643 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -1.248 -0.957 -0.800 1.00 1.00 H new ATOM 0 HG13 ILE A 51 0.050 0.004 -0.119 1.00 1.00 H new ATOM 0 HG21 ILE A 51 1.072 -2.155 -2.939 1.00 1.00 H new ATOM 0 HG22 ILE A 51 1.267 -3.649 -1.992 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -0.362 -3.040 -2.368 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -0.743 0.971 -2.227 1.00 1.00 H new ATOM 0 HD12 ILE A 51 0.944 0.430 -2.390 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -0.373 -0.546 -3.081 1.00 1.00 H new ATOM 790 N ASN A 52 0.553 -5.112 0.256 1.00 1.00 N ATOM 791 CA ASN A 52 1.117 -6.348 0.701 1.00 1.00 C ATOM 792 C ASN A 52 0.655 -7.365 -0.284 1.00 1.00 C ATOM 793 O ASN A 52 -0.139 -7.088 -1.180 1.00 1.00 O ATOM 794 CB ASN A 52 0.679 -6.663 2.142 1.00 1.00 C ATOM 795 CG ASN A 52 1.287 -7.875 2.832 1.00 1.00 C ATOM 796 OD1 ASN A 52 2.193 -8.557 2.354 1.00 1.00 O ATOM 797 ND2 ASN A 52 0.751 -8.170 4.046 1.00 1.00 N ATOM 0 H ASN A 52 -0.224 -5.237 -0.392 1.00 1.00 H new ATOM 0 HA ASN A 52 2.206 -6.323 0.741 1.00 1.00 H new ATOM 0 HB2 ASN A 52 0.897 -5.788 2.754 1.00 1.00 H new ATOM 0 HB3 ASN A 52 -0.404 -6.790 2.140 1.00 1.00 H new ATOM 0 HD21 ASN A 52 1.099 -8.968 4.577 1.00 1.00 H new ATOM 0 HD22 ASN A 52 0.001 -7.593 4.426 1.00 1.00 H new ATOM 804 N ARG A 53 1.207 -8.589 -0.196 1.00 1.00 N ATOM 805 CA ARG A 53 1.116 -9.534 -1.265 1.00 1.00 C ATOM 806 C ARG A 53 1.272 -10.946 -0.815 1.00 1.00 C ATOM 807 O ARG A 53 2.169 -11.291 -0.047 1.00 1.00 O ATOM 808 CB ARG A 53 2.227 -9.104 -2.239 1.00 1.00 C ATOM 809 CG ARG A 53 2.836 -10.129 -3.197 1.00 1.00 C ATOM 810 CD ARG A 53 4.329 -10.373 -2.971 1.00 1.00 C ATOM 811 NE ARG A 53 4.519 -10.854 -1.574 1.00 1.00 N ATOM 812 CZ ARG A 53 5.752 -10.910 -0.990 1.00 1.00 C ATOM 813 NH1 ARG A 53 6.901 -10.818 -1.719 1.00 1.00 N ATOM 814 NH2 ARG A 53 5.901 -11.064 0.358 1.00 1.00 N ATOM 0 H ARG A 53 1.719 -8.925 0.620 1.00 1.00 H new ATOM 0 HA ARG A 53 0.129 -9.526 -1.727 1.00 1.00 H new ATOM 0 HB2 ARG A 53 1.831 -8.288 -2.844 1.00 1.00 H new ATOM 0 HB3 ARG A 53 3.041 -8.692 -1.642 1.00 1.00 H new ATOM 0 HG2 ARG A 53 2.303 -11.074 -3.091 1.00 1.00 H new ATOM 0 HG3 ARG A 53 2.684 -9.790 -4.222 1.00 1.00 H new ATOM 0 HD2 ARG A 53 4.705 -11.110 -3.681 1.00 1.00 H new ATOM 0 HD3 ARG A 53 4.893 -9.455 -3.136 1.00 1.00 H new ATOM 0 HE ARG A 53 3.704 -11.150 -1.038 1.00 1.00 H new ATOM 0 HH11 ARG A 53 6.855 -10.704 -2.732 1.00 1.00 H new ATOM 0 HH12 ARG A 53 7.807 -10.863 -1.252 1.00 1.00 H new ATOM 0 HH21 ARG A 53 5.079 -11.141 0.957 1.00 1.00 H new ATOM 0 HH22 ARG A 53 6.835 -11.103 0.767 1.00 1.00 H new ATOM 828 N GLN A 54 0.434 -11.838 -1.369 1.00 1.00 N ATOM 829 CA GLN A 54 0.567 -13.261 -1.304 1.00 1.00 C ATOM 830 C GLN A 54 1.175 -13.752 -2.572 1.00 1.00 C ATOM 831 O GLN A 54 0.541 -13.781 -3.627 1.00 1.00 O ATOM 832 CB GLN A 54 -0.824 -13.892 -1.129 1.00 1.00 C ATOM 833 CG GLN A 54 -1.429 -13.747 0.269 1.00 1.00 C ATOM 834 CD GLN A 54 -0.485 -14.287 1.333 1.00 1.00 C ATOM 835 OE1 GLN A 54 -0.044 -15.434 1.295 1.00 1.00 O ATOM 836 NE2 GLN A 54 -0.118 -13.407 2.305 1.00 1.00 N ATOM 0 H GLN A 54 -0.389 -11.547 -1.896 1.00 1.00 H new ATOM 0 HA GLN A 54 1.202 -13.535 -0.461 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -1.504 -13.441 -1.851 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -0.758 -14.953 -1.372 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -1.644 -12.697 0.468 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -2.378 -14.281 0.315 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -0.502 -12.462 2.309 1.00 1.00 H new ATOM 0 HE22 GLN A 54 0.541 -13.693 3.029 1.00 1.00 H new ATOM 845 N GLU A 55 2.464 -14.128 -2.523 1.00 1.00 N ATOM 846 CA GLU A 55 3.282 -14.313 -3.683 1.00 1.00 C ATOM 847 C GLU A 55 2.907 -15.425 -4.602 1.00 1.00 C ATOM 848 O GLU A 55 2.719 -15.115 -5.777 1.00 1.00 O ATOM 849 CB GLU A 55 4.772 -14.255 -3.307 1.00 1.00 C ATOM 850 CG GLU A 55 5.711 -13.865 -4.451 1.00 1.00 C ATOM 851 CD GLU A 55 7.005 -13.256 -3.928 1.00 1.00 C ATOM 852 OE1 GLU A 55 7.857 -13.980 -3.347 1.00 1.00 O ATOM 853 OE2 GLU A 55 7.154 -12.013 -4.056 1.00 1.00 O ATOM 0 H GLU A 55 2.955 -14.310 -1.648 1.00 1.00 H new ATOM 0 HA GLU A 55 3.067 -13.461 -4.328 1.00 1.00 H new ATOM 0 HB2 GLU A 55 4.899 -13.541 -2.493 1.00 1.00 H new ATOM 0 HB3 GLU A 55 5.074 -15.230 -2.925 1.00 1.00 H new ATOM 0 HG2 GLU A 55 5.939 -14.745 -5.052 1.00 1.00 H new ATOM 0 HG3 GLU A 55 5.211 -13.152 -5.107 1.00 1.00 H new ATOM 860 N PRO A 56 2.712 -16.665 -4.269 1.00 1.00 N ATOM 861 CA PRO A 56 2.402 -17.672 -5.243 1.00 1.00 C ATOM 862 C PRO A 56 1.063 -17.549 -5.883 1.00 1.00 C ATOM 863 O PRO A 56 0.863 -18.094 -6.968 1.00 1.00 O ATOM 864 CB PRO A 56 2.492 -18.998 -4.492 1.00 1.00 C ATOM 865 CG PRO A 56 3.447 -18.696 -3.326 1.00 1.00 C ATOM 866 CD PRO A 56 3.047 -17.252 -2.980 1.00 1.00 C ATOM 0 HA PRO A 56 3.102 -17.578 -6.074 1.00 1.00 H new ATOM 0 HB2 PRO A 56 1.515 -19.322 -4.135 1.00 1.00 H new ATOM 0 HB3 PRO A 56 2.878 -19.793 -5.130 1.00 1.00 H new ATOM 0 HG2 PRO A 56 3.300 -19.376 -2.487 1.00 1.00 H new ATOM 0 HG3 PRO A 56 4.494 -18.774 -3.620 1.00 1.00 H new ATOM 0 HD2 PRO A 56 2.199 -17.225 -2.296 1.00 1.00 H new ATOM 0 HD3 PRO A 56 3.864 -16.716 -2.497 1.00 1.00 H new ATOM 874 N LEU A 57 0.097 -16.843 -5.268 1.00 1.00 N ATOM 875 CA LEU A 57 -1.247 -16.751 -5.745 1.00 1.00 C ATOM 876 C LEU A 57 -1.360 -15.850 -6.928 1.00 1.00 C ATOM 877 O LEU A 57 -2.283 -15.954 -7.735 1.00 1.00 O ATOM 878 CB LEU A 57 -2.229 -16.208 -4.692 1.00 1.00 C ATOM 879 CG LEU A 57 -2.081 -16.916 -3.336 1.00 1.00 C ATOM 880 CD1 LEU A 57 -3.058 -16.321 -2.308 1.00 1.00 C ATOM 881 CD2 LEU A 57 -2.279 -18.440 -3.394 1.00 1.00 C ATOM 0 H LEU A 57 0.258 -16.318 -4.408 1.00 1.00 H new ATOM 0 HA LEU A 57 -1.507 -17.777 -6.003 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -2.063 -15.139 -4.561 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -3.250 -16.330 -5.054 1.00 1.00 H new ATOM 0 HG LEU A 57 -1.048 -16.744 -3.034 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -2.939 -16.834 -1.354 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -2.847 -15.260 -2.178 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -4.081 -16.447 -2.663 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -2.158 -18.861 -2.396 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -3.280 -18.663 -3.763 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -1.540 -18.878 -4.065 1.00 1.00 H new ATOM 893 N HIS A 58 -0.397 -14.915 -6.996 1.00 1.00 N ATOM 894 CA HIS A 58 -0.231 -13.890 -7.980 1.00 1.00 C ATOM 895 C HIS A 58 -1.127 -12.721 -7.760 1.00 1.00 C ATOM 896 O HIS A 58 -1.497 -12.033 -8.709 1.00 1.00 O ATOM 897 CB HIS A 58 -0.350 -14.321 -9.452 1.00 1.00 C ATOM 898 CG HIS A 58 0.701 -15.273 -9.941 1.00 1.00 C ATOM 899 ND1 HIS A 58 0.846 -15.518 -11.282 1.00 1.00 N ATOM 900 CD2 HIS A 58 1.698 -15.945 -9.308 1.00 1.00 C ATOM 901 CE1 HIS A 58 1.897 -16.296 -11.466 1.00 1.00 C ATOM 902 NE2 HIS A 58 2.424 -16.572 -10.286 1.00 1.00 N ATOM 0 H HIS A 58 0.338 -14.874 -6.290 1.00 1.00 H new ATOM 0 HA HIS A 58 0.811 -13.613 -7.821 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -1.327 -14.782 -9.598 1.00 1.00 H new ATOM 0 HB3 HIS A 58 -0.323 -13.428 -10.076 1.00 1.00 H new ATOM 0 HD1 HIS A 58 0.240 -15.157 -12.019 1.00 1.00 H new ATOM 0 HD2 HIS A 58 1.882 -15.978 -8.244 1.00 1.00 H new ATOM 0 HE1 HIS A 58 2.264 -16.647 -12.419 1.00 1.00 H new ATOM 910 N GLN A 59 -1.492 -12.399 -6.506 1.00 1.00 N ATOM 911 CA GLN A 59 -2.285 -11.249 -6.198 1.00 1.00 C ATOM 912 C GLN A 59 -1.540 -10.337 -5.284 1.00 1.00 C ATOM 913 O GLN A 59 -1.019 -10.742 -4.247 1.00 1.00 O ATOM 914 CB GLN A 59 -3.609 -11.630 -5.513 1.00 1.00 C ATOM 915 CG GLN A 59 -4.659 -12.149 -6.498 1.00 1.00 C ATOM 916 CD GLN A 59 -6.050 -12.274 -5.894 1.00 1.00 C ATOM 917 OE1 GLN A 59 -6.256 -12.498 -4.702 1.00 1.00 O ATOM 918 NE2 GLN A 59 -7.083 -12.090 -6.760 1.00 1.00 N ATOM 0 H GLN A 59 -1.231 -12.950 -5.688 1.00 1.00 H new ATOM 0 HA GLN A 59 -2.503 -10.755 -7.145 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -3.416 -12.393 -4.759 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -4.006 -10.760 -4.991 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -4.703 -11.478 -7.356 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -4.345 -13.124 -6.871 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -6.896 -11.905 -7.745 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -8.045 -12.137 -6.424 1.00 1.00 H new ATOM 927 N VAL A 60 -1.532 -9.034 -5.614 1.00 1.00 N ATOM 928 CA VAL A 60 -1.181 -7.987 -4.704 1.00 1.00 C ATOM 929 C VAL A 60 -2.445 -7.560 -4.042 1.00 1.00 C ATOM 930 O VAL A 60 -3.522 -7.689 -4.624 1.00 1.00 O ATOM 931 CB VAL A 60 -0.556 -6.802 -5.380 1.00 1.00 C ATOM 932 CG1 VAL A 60 0.102 -5.842 -4.374 1.00 1.00 C ATOM 933 CG2 VAL A 60 0.528 -7.257 -6.371 1.00 1.00 C ATOM 0 H VAL A 60 -1.778 -8.697 -6.545 1.00 1.00 H new ATOM 0 HA VAL A 60 -0.439 -8.365 -4.001 1.00 1.00 H new ATOM 0 HB VAL A 60 -1.362 -6.282 -5.898 1.00 1.00 H new ATOM 0 HG11 VAL A 60 0.541 -5.000 -4.909 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -0.650 -5.476 -3.675 1.00 1.00 H new ATOM 0 HG13 VAL A 60 0.882 -6.369 -3.825 1.00 1.00 H new ATOM 0 HG21 VAL A 60 0.970 -6.385 -6.852 1.00 1.00 H new ATOM 0 HG22 VAL A 60 1.302 -7.808 -5.836 1.00 1.00 H new ATOM 0 HG23 VAL A 60 0.081 -7.901 -7.128 1.00 1.00 H new ATOM 943 N TRP A 61 -2.403 -7.049 -2.799 1.00 1.00 N ATOM 944 CA TRP A 61 -3.504 -6.401 -2.156 1.00 1.00 C ATOM 945 C TRP A 61 -3.166 -4.956 -2.022 1.00 1.00 C ATOM 946 O TRP A 61 -2.007 -4.598 -1.811 1.00 1.00 O ATOM 947 CB TRP A 61 -3.864 -7.123 -0.848 1.00 1.00 C ATOM 948 CG TRP A 61 -3.709 -6.391 0.463 1.00 1.00 C ATOM 949 CD1 TRP A 61 -2.546 -5.843 0.926 1.00 1.00 C ATOM 950 CD2 TRP A 61 -4.723 -6.028 1.420 1.00 1.00 C ATOM 951 NE1 TRP A 61 -2.787 -5.038 2.007 1.00 1.00 N ATOM 952 CE2 TRP A 61 -4.101 -5.212 2.372 1.00 1.00 C ATOM 953 CE3 TRP A 61 -6.054 -6.333 1.502 1.00 1.00 C ATOM 954 CZ2 TRP A 61 -4.814 -4.723 3.432 1.00 1.00 C ATOM 955 CZ3 TRP A 61 -6.757 -5.831 2.572 1.00 1.00 C ATOM 956 CH2 TRP A 61 -6.145 -5.055 3.528 1.00 1.00 C ATOM 0 H TRP A 61 -1.566 -7.089 -2.217 1.00 1.00 H new ATOM 0 HA TRP A 61 -4.419 -6.457 -2.746 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -4.903 -7.442 -0.925 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -3.256 -8.026 -0.794 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -1.570 -6.021 0.498 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -2.113 -4.421 2.460 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -6.535 -6.946 0.754 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -4.344 -4.093 4.173 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -7.811 -6.051 2.663 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -6.720 -4.700 4.370 1.00 1.00 H new ATOM 967 N LEU A 62 -4.159 -4.057 -2.127 1.00 1.00 N ATOM 968 CA LEU A 62 -3.978 -2.658 -1.882 1.00 1.00 C ATOM 969 C LEU A 62 -5.151 -2.163 -1.108 1.00 1.00 C ATOM 970 O LEU A 62 -6.283 -2.123 -1.588 1.00 1.00 O ATOM 971 CB LEU A 62 -3.655 -1.819 -3.130 1.00 1.00 C ATOM 972 CG LEU A 62 -4.761 -1.482 -4.144 1.00 1.00 C ATOM 973 CD1 LEU A 62 -4.352 -0.359 -5.113 1.00 1.00 C ATOM 974 CD2 LEU A 62 -5.206 -2.733 -4.921 1.00 1.00 C ATOM 0 H LEU A 62 -5.113 -4.307 -2.389 1.00 1.00 H new ATOM 0 HA LEU A 62 -3.074 -2.530 -1.287 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -3.235 -0.874 -2.784 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -2.866 -2.339 -3.673 1.00 1.00 H new ATOM 0 HG LEU A 62 -5.608 -1.114 -3.565 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -5.169 -0.162 -5.807 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -4.129 0.546 -4.548 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -3.468 -0.665 -5.672 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -5.989 -2.462 -5.630 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -4.355 -3.148 -5.461 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -5.590 -3.477 -4.223 1.00 1.00 H new ATOM 986 N ALA A 63 -4.924 -1.798 0.167 1.00 1.00 N ATOM 987 CA ALA A 63 -5.884 -1.111 0.973 1.00 1.00 C ATOM 988 C ALA A 63 -5.595 0.346 1.077 1.00 1.00 C ATOM 989 O ALA A 63 -4.462 0.820 1.032 1.00 1.00 O ATOM 990 CB ALA A 63 -6.151 -1.768 2.339 1.00 1.00 C ATOM 0 H ALA A 63 -4.046 -1.987 0.651 1.00 1.00 H new ATOM 0 HA ALA A 63 -6.828 -1.208 0.436 1.00 1.00 H new ATOM 0 HB1 ALA A 63 -6.891 -1.183 2.886 1.00 1.00 H new ATOM 0 HB2 ALA A 63 -6.527 -2.780 2.189 1.00 1.00 H new ATOM 0 HB3 ALA A 63 -5.224 -1.807 2.911 1.00 1.00 H new ATOM 996 N THR A 64 -6.708 1.103 1.107 1.00 1.00 N ATOM 997 CA THR A 64 -6.856 2.410 0.545 1.00 1.00 C ATOM 998 C THR A 64 -7.867 3.147 1.354 1.00 1.00 C ATOM 999 O THR A 64 -8.250 2.719 2.444 1.00 1.00 O ATOM 1000 CB THR A 64 -7.338 2.364 -0.875 1.00 1.00 C ATOM 1001 OG1 THR A 64 -8.523 1.592 -0.997 1.00 1.00 O ATOM 1002 CG2 THR A 64 -6.291 1.720 -1.800 1.00 1.00 C ATOM 0 H THR A 64 -7.564 0.777 1.556 1.00 1.00 H new ATOM 0 HA THR A 64 -5.882 2.899 0.557 1.00 1.00 H new ATOM 0 HB THR A 64 -7.524 3.399 -1.163 1.00 1.00 H new ATOM 0 HG1 THR A 64 -8.812 1.583 -1.933 1.00 1.00 H new ATOM 0 HG21 THR A 64 -6.670 1.702 -2.822 1.00 1.00 H new ATOM 0 HG22 THR A 64 -5.369 2.300 -1.766 1.00 1.00 H new ATOM 0 HG23 THR A 64 -6.091 0.701 -1.469 1.00 1.00 H new ATOM 1010 N LYS A 65 -8.377 4.281 0.843 1.00 1.00 N ATOM 1011 CA LYS A 65 -9.510 4.967 1.381 1.00 1.00 C ATOM 1012 C LYS A 65 -10.795 4.218 1.304 1.00 1.00 C ATOM 1013 O LYS A 65 -11.564 4.199 2.265 1.00 1.00 O ATOM 1014 CB LYS A 65 -9.661 6.363 0.755 1.00 1.00 C ATOM 1015 CG LYS A 65 -9.287 7.488 1.724 1.00 1.00 C ATOM 1016 CD LYS A 65 -10.252 7.605 2.906 1.00 1.00 C ATOM 1017 CE LYS A 65 -9.887 8.722 3.886 1.00 1.00 C ATOM 1018 NZ LYS A 65 -10.657 8.556 5.139 1.00 1.00 N ATOM 0 H LYS A 65 -7.984 4.739 0.021 1.00 1.00 H new ATOM 0 HA LYS A 65 -9.295 5.062 2.445 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -9.031 6.429 -0.132 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -10.691 6.500 0.426 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -8.279 7.315 2.101 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -9.267 8.434 1.183 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -11.259 7.780 2.527 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -10.274 6.656 3.442 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -8.818 8.698 4.098 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -10.102 9.694 3.442 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -10.407 9.316 5.803 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -11.675 8.600 4.929 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -10.431 7.635 5.566 1.00 1.00 H new ATOM 1032 N GLN A 66 -11.108 3.560 0.174 1.00 1.00 N ATOM 1033 CA GLN A 66 -12.397 2.989 -0.064 1.00 1.00 C ATOM 1034 C GLN A 66 -12.643 1.683 0.609 1.00 1.00 C ATOM 1035 O GLN A 66 -13.783 1.346 0.923 1.00 1.00 O ATOM 1036 CB GLN A 66 -12.581 2.770 -1.575 1.00 1.00 C ATOM 1037 CG GLN A 66 -12.656 4.035 -2.433 1.00 1.00 C ATOM 1038 CD GLN A 66 -11.299 4.551 -2.891 1.00 1.00 C ATOM 1039 OE1 GLN A 66 -10.233 4.058 -2.524 1.00 1.00 O ATOM 1040 NE2 GLN A 66 -11.321 5.580 -3.780 1.00 1.00 N ATOM 0 H GLN A 66 -10.450 3.421 -0.593 1.00 1.00 H new ATOM 0 HA GLN A 66 -13.107 3.702 0.355 1.00 1.00 H new ATOM 0 HB2 GLN A 66 -11.754 2.158 -1.936 1.00 1.00 H new ATOM 0 HB3 GLN A 66 -13.494 2.195 -1.730 1.00 1.00 H new ATOM 0 HG2 GLN A 66 -13.271 3.832 -3.310 1.00 1.00 H new ATOM 0 HG3 GLN A 66 -13.159 4.818 -1.865 1.00 1.00 H new ATOM 0 HE21 GLN A 66 -12.212 5.979 -4.076 1.00 1.00 H new ATOM 0 HE22 GLN A 66 -10.447 5.952 -4.151 1.00 1.00 H new ATOM 1049 N GLY A 67 -11.593 0.900 0.917 1.00 1.00 N ATOM 1050 CA GLY A 67 -11.764 -0.323 1.638 1.00 1.00 C ATOM 1051 C GLY A 67 -10.638 -1.289 1.495 1.00 1.00 C ATOM 1052 O GLY A 67 -10.147 -1.843 2.477 1.00 1.00 O ATOM 0 H GLY A 67 -10.627 1.114 0.667 1.00 1.00 H new ATOM 0 HA2 GLY A 67 -11.895 -0.091 2.695 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -12.683 -0.803 1.301 1.00 1.00 H new ATOM 1056 N GLY A 68 -10.195 -1.544 0.251 1.00 1.00 N ATOM 1057 CA GLY A 68 -9.129 -2.455 -0.030 1.00 1.00 C ATOM 1058 C GLY A 68 -9.495 -3.594 -0.916 1.00 1.00 C ATOM 1059 O GLY A 68 -10.370 -4.407 -0.622 1.00 1.00 O ATOM 0 H GLY A 68 -10.588 -1.105 -0.582 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -8.311 -1.903 -0.492 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -8.753 -2.853 0.912 1.00 1.00 H new ATOM 1063 N TYR A 69 -8.788 -3.699 -2.055 1.00 1.00 N ATOM 1064 CA TYR A 69 -9.001 -4.675 -3.077 1.00 1.00 C ATOM 1065 C TYR A 69 -7.740 -5.444 -3.280 1.00 1.00 C ATOM 1066 O TYR A 69 -6.682 -5.121 -2.741 1.00 1.00 O ATOM 1067 CB TYR A 69 -9.386 -4.007 -4.407 1.00 1.00 C ATOM 1068 CG TYR A 69 -10.674 -3.257 -4.391 1.00 1.00 C ATOM 1069 CD1 TYR A 69 -11.706 -3.491 -3.514 1.00 1.00 C ATOM 1070 CD2 TYR A 69 -10.832 -2.277 -5.343 1.00 1.00 C ATOM 1071 CE1 TYR A 69 -12.856 -2.738 -3.558 1.00 1.00 C ATOM 1072 CE2 TYR A 69 -11.976 -1.516 -5.402 1.00 1.00 C ATOM 1073 CZ TYR A 69 -12.986 -1.743 -4.497 1.00 1.00 C ATOM 1074 OH TYR A 69 -14.168 -0.973 -4.534 1.00 1.00 O ATOM 0 H TYR A 69 -8.021 -3.063 -2.275 1.00 1.00 H new ATOM 0 HA TYR A 69 -9.813 -5.331 -2.765 1.00 1.00 H new ATOM 0 HB2 TYR A 69 -8.589 -3.322 -4.695 1.00 1.00 H new ATOM 0 HB3 TYR A 69 -9.441 -4.775 -5.178 1.00 1.00 H new ATOM 0 HD1 TYR A 69 -11.613 -4.277 -2.780 1.00 1.00 H new ATOM 0 HD2 TYR A 69 -10.042 -2.102 -6.058 1.00 1.00 H new ATOM 0 HE1 TYR A 69 -13.655 -2.928 -2.856 1.00 1.00 H new ATOM 0 HE2 TYR A 69 -12.080 -0.747 -6.153 1.00 1.00 H new ATOM 0 HH TYR A 69 -14.105 -0.311 -5.253 1.00 1.00 H new ATOM 1084 N HIS A 70 -7.794 -6.530 -4.073 1.00 1.00 N ATOM 1085 CA HIS A 70 -6.637 -7.230 -4.539 1.00 1.00 C ATOM 1086 C HIS A 70 -6.645 -7.262 -6.028 1.00 1.00 C ATOM 1087 O HIS A 70 -7.648 -6.912 -6.648 1.00 1.00 O ATOM 1088 CB HIS A 70 -6.479 -8.610 -3.879 1.00 1.00 C ATOM 1089 CG HIS A 70 -7.766 -9.349 -3.666 1.00 1.00 C ATOM 1090 ND1 HIS A 70 -8.446 -9.964 -4.685 1.00 1.00 N ATOM 1091 CD2 HIS A 70 -8.529 -9.487 -2.550 1.00 1.00 C ATOM 1092 CE1 HIS A 70 -9.575 -10.458 -4.212 1.00 1.00 C ATOM 1093 NE2 HIS A 70 -9.659 -10.166 -2.928 1.00 1.00 N ATOM 0 H HIS A 70 -8.672 -6.934 -4.400 1.00 1.00 H new ATOM 0 HA HIS A 70 -5.742 -6.690 -4.231 1.00 1.00 H new ATOM 0 HB2 HIS A 70 -5.822 -9.221 -4.498 1.00 1.00 H new ATOM 0 HB3 HIS A 70 -5.984 -8.484 -2.916 1.00 1.00 H new ATOM 0 HD2 HIS A 70 -8.292 -9.131 -1.558 1.00 1.00 H new ATOM 0 HE1 HIS A 70 -10.308 -11.010 -4.781 1.00 1.00 H new ATOM 0 HE2 HIS A 70 -10.438 -10.406 -2.316 1.00 1.00 H new ATOM 1101 N PHE A 71 -5.479 -7.534 -6.641 1.00 1.00 N ATOM 1102 CA PHE A 71 -5.081 -6.971 -7.895 1.00 1.00 C ATOM 1103 C PHE A 71 -4.413 -7.982 -8.762 1.00 1.00 C ATOM 1104 O PHE A 71 -3.413 -8.568 -8.352 1.00 1.00 O ATOM 1105 CB PHE A 71 -4.170 -5.838 -7.393 1.00 1.00 C ATOM 1106 CG PHE A 71 -3.346 -5.056 -8.358 1.00 1.00 C ATOM 1107 CD1 PHE A 71 -3.825 -3.881 -8.891 1.00 1.00 C ATOM 1108 CD2 PHE A 71 -2.029 -5.397 -8.550 1.00 1.00 C ATOM 1109 CE1 PHE A 71 -2.989 -3.060 -9.613 1.00 1.00 C ATOM 1110 CE2 PHE A 71 -1.192 -4.584 -9.278 1.00 1.00 C ATOM 1111 CZ PHE A 71 -1.678 -3.417 -9.818 1.00 1.00 C ATOM 0 H PHE A 71 -4.786 -8.171 -6.248 1.00 1.00 H new ATOM 0 HA PHE A 71 -5.881 -6.619 -8.546 1.00 1.00 H new ATOM 0 HB2 PHE A 71 -4.801 -5.129 -6.858 1.00 1.00 H new ATOM 0 HB3 PHE A 71 -3.487 -6.272 -6.662 1.00 1.00 H new ATOM 0 HD1 PHE A 71 -4.858 -3.603 -8.743 1.00 1.00 H new ATOM 0 HD2 PHE A 71 -1.647 -6.313 -8.125 1.00 1.00 H new ATOM 0 HE1 PHE A 71 -3.364 -2.133 -10.020 1.00 1.00 H new ATOM 0 HE2 PHE A 71 -0.158 -4.861 -9.425 1.00 1.00 H new ATOM 0 HZ PHE A 71 -1.030 -2.781 -10.403 1.00 1.00 H new ATOM 1121 N ASP A 72 -4.933 -8.229 -9.977 1.00 1.00 N ATOM 1122 CA ASP A 72 -4.445 -9.204 -10.903 1.00 1.00 C ATOM 1123 C ASP A 72 -4.218 -8.650 -12.268 1.00 1.00 C ATOM 1124 O ASP A 72 -4.929 -7.768 -12.746 1.00 1.00 O ATOM 1125 CB ASP A 72 -5.416 -10.371 -11.153 1.00 1.00 C ATOM 1126 CG ASP A 72 -5.673 -11.213 -9.913 1.00 1.00 C ATOM 1127 OD1 ASP A 72 -4.883 -12.169 -9.686 1.00 1.00 O ATOM 1128 OD2 ASP A 72 -6.706 -10.998 -9.225 1.00 1.00 O ATOM 0 H ASP A 72 -5.741 -7.719 -10.334 1.00 1.00 H new ATOM 0 HA ASP A 72 -3.526 -9.535 -10.420 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -6.364 -9.975 -11.518 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -5.013 -11.008 -11.940 1.00 1.00 H new ATOM 1133 N LEU A 73 -3.229 -9.200 -12.995 1.00 1.00 N ATOM 1134 CA LEU A 73 -2.824 -8.832 -14.316 1.00 1.00 C ATOM 1135 C LEU A 73 -3.656 -9.504 -15.355 1.00 1.00 C ATOM 1136 O LEU A 73 -3.633 -10.720 -15.539 1.00 1.00 O ATOM 1137 CB LEU A 73 -1.336 -9.181 -14.480 1.00 1.00 C ATOM 1138 CG LEU A 73 -0.610 -8.789 -15.778 1.00 1.00 C ATOM 1139 CD1 LEU A 73 -0.799 -9.784 -16.937 1.00 1.00 C ATOM 1140 CD2 LEU A 73 -0.907 -7.352 -16.240 1.00 1.00 C ATOM 0 H LEU A 73 -2.667 -9.967 -12.626 1.00 1.00 H new ATOM 0 HA LEU A 73 -2.969 -7.761 -14.454 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -0.798 -8.720 -13.652 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -1.238 -10.260 -14.363 1.00 1.00 H new ATOM 0 HG LEU A 73 0.443 -8.833 -15.498 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -0.254 -9.431 -17.812 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -0.418 -10.762 -16.643 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -1.859 -9.865 -17.178 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -0.361 -7.146 -17.161 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -1.976 -7.241 -16.419 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -0.594 -6.649 -15.468 1.00 1.00 H new ATOM 1152 N LYS A 74 -4.427 -8.704 -16.113 1.00 1.00 N ATOM 1153 CA LYS A 74 -5.200 -9.157 -17.227 1.00 1.00 C ATOM 1154 C LYS A 74 -4.405 -9.099 -18.485 1.00 1.00 C ATOM 1155 O LYS A 74 -4.269 -10.101 -19.186 1.00 1.00 O ATOM 1156 CB LYS A 74 -6.495 -8.330 -17.293 1.00 1.00 C ATOM 1157 CG LYS A 74 -7.466 -8.822 -18.368 1.00 1.00 C ATOM 1158 CD LYS A 74 -8.887 -8.274 -18.231 1.00 1.00 C ATOM 1159 CE LYS A 74 -9.894 -9.042 -19.091 1.00 1.00 C ATOM 1160 NZ LYS A 74 -11.284 -8.578 -18.888 1.00 1.00 N ATOM 0 H LYS A 74 -4.515 -7.702 -15.943 1.00 1.00 H new ATOM 0 HA LYS A 74 -5.473 -10.205 -17.100 1.00 1.00 H new ATOM 0 HB2 LYS A 74 -6.990 -8.362 -16.322 1.00 1.00 H new ATOM 0 HB3 LYS A 74 -6.244 -7.287 -17.488 1.00 1.00 H new ATOM 0 HG2 LYS A 74 -7.076 -8.546 -19.347 1.00 1.00 H new ATOM 0 HG3 LYS A 74 -7.504 -9.911 -18.336 1.00 1.00 H new ATOM 0 HD2 LYS A 74 -9.193 -8.323 -17.186 1.00 1.00 H new ATOM 0 HD3 LYS A 74 -8.897 -7.222 -18.517 1.00 1.00 H new ATOM 0 HE2 LYS A 74 -9.628 -8.932 -20.142 1.00 1.00 H new ATOM 0 HE3 LYS A 74 -9.831 -10.105 -18.856 1.00 1.00 H new ATOM 0 HZ1 LYS A 74 -11.926 -9.129 -19.493 1.00 1.00 H new ATOM 0 HZ2 LYS A 74 -11.551 -8.707 -17.891 1.00 1.00 H new ATOM 0 HZ3 LYS A 74 -11.354 -7.571 -19.137 1.00 1.00 H new ATOM 1174 N GLY A 75 -3.798 -7.944 -18.813 1.00 1.00 N ATOM 1175 CA GLY A 75 -2.971 -7.846 -19.975 1.00 1.00 C ATOM 1176 C GLY A 75 -2.101 -6.638 -20.001 1.00 1.00 C ATOM 1177 O GLY A 75 -0.900 -6.694 -19.736 1.00 1.00 O ATOM 0 H GLY A 75 -3.880 -7.081 -18.275 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -2.343 -8.735 -20.037 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -3.606 -7.842 -20.861 1.00 1.00 H new ATOM 1181 N ASP A 76 -2.665 -5.470 -20.357 1.00 1.00 N ATOM 1182 CA ASP A 76 -1.949 -4.240 -20.496 1.00 1.00 C ATOM 1183 C ASP A 76 -2.040 -3.417 -19.259 1.00 1.00 C ATOM 1184 O ASP A 76 -1.402 -2.372 -19.133 1.00 1.00 O ATOM 1185 CB ASP A 76 -2.504 -3.446 -21.692 1.00 1.00 C ATOM 1186 CG ASP A 76 -2.332 -4.206 -22.997 1.00 1.00 C ATOM 1187 OD1 ASP A 76 -1.159 -4.440 -23.396 1.00 1.00 O ATOM 1188 OD2 ASP A 76 -3.355 -4.556 -23.645 1.00 1.00 O ATOM 0 H ASP A 76 -3.661 -5.379 -20.556 1.00 1.00 H new ATOM 0 HA ASP A 76 -0.899 -4.477 -20.668 1.00 1.00 H new ATOM 0 HB2 ASP A 76 -3.561 -3.235 -21.530 1.00 1.00 H new ATOM 0 HB3 ASP A 76 -1.994 -2.485 -21.760 1.00 1.00 H new ATOM 1193 N GLU A 77 -2.839 -3.877 -18.278 1.00 1.00 N ATOM 1194 CA GLU A 77 -3.134 -3.219 -17.042 1.00 1.00 C ATOM 1195 C GLU A 77 -3.584 -4.361 -16.200 1.00 1.00 C ATOM 1196 O GLU A 77 -3.929 -5.442 -16.674 1.00 1.00 O ATOM 1197 CB GLU A 77 -4.180 -2.095 -17.114 1.00 1.00 C ATOM 1198 CG GLU A 77 -3.516 -0.717 -17.098 1.00 1.00 C ATOM 1199 CD GLU A 77 -4.497 0.447 -17.094 1.00 1.00 C ATOM 1200 OE1 GLU A 77 -4.951 0.857 -18.196 1.00 1.00 O ATOM 1201 OE2 GLU A 77 -4.737 1.049 -16.013 1.00 1.00 O ATOM 0 H GLU A 77 -3.314 -4.776 -18.356 1.00 1.00 H new ATOM 0 HA GLU A 77 -2.274 -2.670 -16.660 1.00 1.00 H new ATOM 0 HB2 GLU A 77 -4.773 -2.205 -18.022 1.00 1.00 H new ATOM 0 HB3 GLU A 77 -4.867 -2.180 -16.272 1.00 1.00 H new ATOM 0 HG2 GLU A 77 -2.878 -0.643 -16.217 1.00 1.00 H new ATOM 0 HG3 GLU A 77 -2.867 -0.628 -17.969 1.00 1.00 H new ATOM 1208 N TRP A 78 -3.554 -4.119 -14.877 1.00 1.00 N ATOM 1209 CA TRP A 78 -4.035 -5.029 -13.884 1.00 1.00 C ATOM 1210 C TRP A 78 -5.435 -4.591 -13.627 1.00 1.00 C ATOM 1211 O TRP A 78 -5.741 -3.399 -13.649 1.00 1.00 O ATOM 1212 CB TRP A 78 -3.151 -4.972 -12.627 1.00 1.00 C ATOM 1213 CG TRP A 78 -1.692 -5.327 -12.793 1.00 1.00 C ATOM 1214 CD1 TRP A 78 -0.731 -4.725 -13.551 1.00 1.00 C ATOM 1215 CD2 TRP A 78 -1.001 -6.310 -12.000 1.00 1.00 C ATOM 1216 NE1 TRP A 78 0.502 -5.261 -13.288 1.00 1.00 N ATOM 1217 CE2 TRP A 78 0.359 -6.226 -12.318 1.00 1.00 C ATOM 1218 CE3 TRP A 78 -1.435 -7.186 -11.043 1.00 1.00 C ATOM 1219 CZ2 TRP A 78 1.284 -7.001 -11.675 1.00 1.00 C ATOM 1220 CZ3 TRP A 78 -0.501 -7.957 -10.392 1.00 1.00 C ATOM 1221 CH2 TRP A 78 0.836 -7.855 -10.694 1.00 1.00 C ATOM 0 H TRP A 78 -3.180 -3.255 -14.484 1.00 1.00 H new ATOM 0 HA TRP A 78 -4.004 -6.071 -14.202 1.00 1.00 H new ATOM 0 HB2 TRP A 78 -3.209 -3.963 -12.219 1.00 1.00 H new ATOM 0 HB3 TRP A 78 -3.579 -5.643 -11.882 1.00 1.00 H new ATOM 0 HD1 TRP A 78 -0.917 -3.933 -14.262 1.00 1.00 H new ATOM 0 HE1 TRP A 78 1.378 -4.990 -13.736 1.00 1.00 H new ATOM 0 HE3 TRP A 78 -2.485 -7.270 -10.805 1.00 1.00 H new ATOM 0 HZ2 TRP A 78 2.332 -6.944 -11.929 1.00 1.00 H new ATOM 0 HZ3 TRP A 78 -0.823 -8.653 -9.632 1.00 1.00 H new ATOM 0 HH2 TRP A 78 1.549 -8.457 -10.150 1.00 1.00 H new ATOM 1232 N ILE A 79 -6.382 -5.521 -13.409 1.00 1.00 N ATOM 1233 CA ILE A 79 -7.691 -5.172 -12.948 1.00 1.00 C ATOM 1234 C ILE A 79 -7.634 -5.298 -11.465 1.00 1.00 C ATOM 1235 O ILE A 79 -6.892 -6.093 -10.889 1.00 1.00 O ATOM 1236 CB ILE A 79 -8.818 -5.955 -13.554 1.00 1.00 C ATOM 1237 CG1 ILE A 79 -9.178 -7.256 -12.817 1.00 1.00 C ATOM 1238 CG2 ILE A 79 -8.548 -6.112 -15.059 1.00 1.00 C ATOM 1239 CD1 ILE A 79 -10.088 -8.209 -13.588 1.00 1.00 C ATOM 0 H ILE A 79 -6.240 -6.521 -13.553 1.00 1.00 H new ATOM 0 HA ILE A 79 -7.931 -4.159 -13.269 1.00 1.00 H new ATOM 0 HB ILE A 79 -9.740 -5.388 -13.426 1.00 1.00 H new ATOM 0 HG12 ILE A 79 -8.256 -7.781 -12.568 1.00 1.00 H new ATOM 0 HG13 ILE A 79 -9.662 -6.999 -11.875 1.00 1.00 H new ATOM 0 HG21 ILE A 79 -9.358 -6.680 -15.517 1.00 1.00 H new ATOM 0 HG22 ILE A 79 -8.488 -5.127 -15.523 1.00 1.00 H new ATOM 0 HG23 ILE A 79 -7.606 -6.641 -15.206 1.00 1.00 H new ATOM 0 HD11 ILE A 79 -10.283 -9.095 -12.984 1.00 1.00 H new ATOM 0 HD12 ILE A 79 -11.030 -7.710 -13.814 1.00 1.00 H new ATOM 0 HD13 ILE A 79 -9.602 -8.504 -14.518 1.00 1.00 H new ATOM 1251 N CYS A 80 -8.442 -4.483 -10.762 1.00 1.00 N ATOM 1252 CA CYS A 80 -8.619 -4.671 -9.356 1.00 1.00 C ATOM 1253 C CYS A 80 -9.752 -5.626 -9.199 1.00 1.00 C ATOM 1254 O CYS A 80 -10.884 -5.335 -9.581 1.00 1.00 O ATOM 1255 CB CYS A 80 -8.895 -3.320 -8.674 1.00 1.00 C ATOM 1256 SG CYS A 80 -7.422 -2.256 -8.653 1.00 1.00 S ATOM 0 H CYS A 80 -8.966 -3.704 -11.161 1.00 1.00 H new ATOM 0 HA CYS A 80 -7.726 -5.075 -8.880 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -9.704 -2.809 -9.196 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -9.233 -3.492 -7.652 1.00 1.00 H new ATOM 0 HG CYS A 80 -7.770 -1.028 -8.899 1.00 1.00 H new ATOM 1262 N ASP A 81 -9.477 -6.830 -8.667 1.00 1.00 N ATOM 1263 CA ASP A 81 -10.278 -8.014 -8.726 1.00 1.00 C ATOM 1264 C ASP A 81 -11.613 -7.873 -8.083 1.00 1.00 C ATOM 1265 O ASP A 81 -12.644 -8.131 -8.703 1.00 1.00 O ATOM 1266 CB ASP A 81 -9.443 -9.133 -8.080 1.00 1.00 C ATOM 1267 CG ASP A 81 -10.145 -10.477 -7.944 1.00 1.00 C ATOM 1268 OD1 ASP A 81 -10.688 -11.002 -8.953 1.00 1.00 O ATOM 1269 OD2 ASP A 81 -10.161 -11.014 -6.803 1.00 1.00 O ATOM 0 H ASP A 81 -8.613 -6.987 -8.148 1.00 1.00 H new ATOM 0 HA ASP A 81 -10.517 -8.241 -9.765 1.00 1.00 H new ATOM 0 HB2 ASP A 81 -8.537 -9.274 -8.670 1.00 1.00 H new ATOM 0 HB3 ASP A 81 -9.130 -8.804 -7.089 1.00 1.00 H new ATOM 1274 N ARG A 82 -11.628 -7.467 -6.801 1.00 1.00 N ATOM 1275 CA ARG A 82 -12.736 -7.527 -5.899 1.00 1.00 C ATOM 1276 C ARG A 82 -14.010 -6.945 -6.405 1.00 1.00 C ATOM 1277 O ARG A 82 -15.013 -7.644 -6.549 1.00 1.00 O ATOM 1278 CB ARG A 82 -12.297 -6.905 -4.564 1.00 1.00 C ATOM 1279 CG ARG A 82 -13.141 -7.220 -3.327 1.00 1.00 C ATOM 1280 CD ARG A 82 -14.462 -6.461 -3.188 1.00 1.00 C ATOM 1281 NE ARG A 82 -14.888 -6.670 -1.775 1.00 1.00 N ATOM 1282 CZ ARG A 82 -15.442 -5.701 -0.988 1.00 1.00 C ATOM 1283 NH1 ARG A 82 -16.010 -4.572 -1.505 1.00 1.00 N ATOM 1284 NH2 ARG A 82 -15.429 -5.897 0.362 1.00 1.00 N ATOM 0 H ARG A 82 -10.799 -7.065 -6.362 1.00 1.00 H new ATOM 0 HA ARG A 82 -12.993 -8.578 -5.771 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -11.274 -7.225 -4.364 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -12.274 -5.822 -4.689 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -13.360 -8.288 -3.327 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -12.537 -7.018 -2.442 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -14.332 -5.401 -3.407 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -15.209 -6.841 -3.885 1.00 1.00 H new ATOM 0 HE ARG A 82 -14.757 -7.597 -1.370 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -16.031 -4.428 -2.515 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -16.413 -3.872 -0.882 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -15.015 -6.745 0.750 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -15.833 -5.196 0.983 1.00 1.00 H new ATOM 1298 N SER A 83 -14.036 -5.638 -6.722 1.00 1.00 N ATOM 1299 CA SER A 83 -15.183 -5.020 -7.314 1.00 1.00 C ATOM 1300 C SER A 83 -15.199 -5.179 -8.795 1.00 1.00 C ATOM 1301 O SER A 83 -16.264 -5.275 -9.405 1.00 1.00 O ATOM 1302 CB SER A 83 -15.270 -3.520 -6.985 1.00 1.00 C ATOM 1303 OG SER A 83 -15.443 -3.358 -5.585 1.00 1.00 O ATOM 0 H SER A 83 -13.253 -5.003 -6.566 1.00 1.00 H new ATOM 0 HA SER A 83 -16.044 -5.532 -6.884 1.00 1.00 H new ATOM 0 HB2 SER A 83 -14.364 -3.011 -7.313 1.00 1.00 H new ATOM 0 HB3 SER A 83 -16.103 -3.066 -7.521 1.00 1.00 H new ATOM 0 HG SER A 83 -14.887 -2.614 -5.271 1.00 1.00 H new ATOM 1309 N GLY A 84 -14.019 -5.222 -9.440 1.00 1.00 N ATOM 1310 CA GLY A 84 -13.882 -5.148 -10.862 1.00 1.00 C ATOM 1311 C GLY A 84 -13.557 -3.751 -11.263 1.00 1.00 C ATOM 1312 O GLY A 84 -14.435 -2.994 -11.674 1.00 1.00 O ATOM 0 H GLY A 84 -13.127 -5.312 -8.953 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -13.096 -5.825 -11.197 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -14.806 -5.469 -11.343 1.00 1.00 H new ATOM 1316 N GLU A 85 -12.276 -3.361 -11.127 1.00 1.00 N ATOM 1317 CA GLU A 85 -11.828 -2.025 -11.358 1.00 1.00 C ATOM 1318 C GLU A 85 -10.491 -2.121 -12.006 1.00 1.00 C ATOM 1319 O GLU A 85 -10.146 -3.170 -12.551 1.00 1.00 O ATOM 1320 CB GLU A 85 -11.802 -1.161 -10.085 1.00 1.00 C ATOM 1321 CG GLU A 85 -13.164 -0.753 -9.517 1.00 1.00 C ATOM 1322 CD GLU A 85 -13.920 0.254 -10.371 1.00 1.00 C ATOM 1323 OE1 GLU A 85 -13.489 0.600 -11.503 1.00 1.00 O ATOM 1324 OE2 GLU A 85 -14.995 0.717 -9.904 1.00 1.00 O ATOM 0 H GLU A 85 -11.529 -3.997 -10.847 1.00 1.00 H new ATOM 0 HA GLU A 85 -12.534 -1.510 -12.009 1.00 1.00 H new ATOM 0 HB2 GLU A 85 -11.258 -1.705 -9.313 1.00 1.00 H new ATOM 0 HB3 GLU A 85 -11.234 -0.255 -10.297 1.00 1.00 H new ATOM 0 HG2 GLU A 85 -13.778 -1.646 -9.399 1.00 1.00 H new ATOM 0 HG3 GLU A 85 -13.019 -0.332 -8.522 1.00 1.00 H new ATOM 1331 N THR A 86 -9.657 -1.064 -12.004 1.00 1.00 N ATOM 1332 CA THR A 86 -8.557 -0.934 -12.907 1.00 1.00 C ATOM 1333 C THR A 86 -7.365 -0.414 -12.181 1.00 1.00 C ATOM 1334 O THR A 86 -7.531 0.449 -11.320 1.00 1.00 O ATOM 1335 CB THR A 86 -8.900 0.083 -13.954 1.00 1.00 C ATOM 1336 OG1 THR A 86 -10.024 -0.374 -14.692 1.00 1.00 O ATOM 1337 CG2 THR A 86 -7.782 0.265 -14.993 1.00 1.00 C ATOM 0 H THR A 86 -9.751 -0.281 -11.358 1.00 1.00 H new ATOM 0 HA THR A 86 -8.350 -1.910 -13.346 1.00 1.00 H new ATOM 0 HB THR A 86 -9.075 1.020 -13.425 1.00 1.00 H new ATOM 0 HG1 THR A 86 -10.256 0.287 -15.378 1.00 1.00 H new ATOM 0 HG21 THR A 86 -8.085 1.013 -15.726 1.00 1.00 H new ATOM 0 HG22 THR A 86 -6.871 0.595 -14.493 1.00 1.00 H new ATOM 0 HG23 THR A 86 -7.596 -0.683 -15.497 1.00 1.00 H new ATOM 1345 N PHE A 87 -6.133 -0.859 -12.485 1.00 1.00 N ATOM 1346 CA PHE A 87 -4.883 -0.433 -11.937 1.00 1.00 C ATOM 1347 C PHE A 87 -4.707 1.019 -11.654 1.00 1.00 C ATOM 1348 O PHE A 87 -5.025 1.510 -10.573 1.00 1.00 O ATOM 1349 CB PHE A 87 -3.807 -0.945 -12.908 1.00 1.00 C ATOM 1350 CG PHE A 87 -2.362 -0.836 -12.563 1.00 1.00 C ATOM 1351 CD1 PHE A 87 -1.851 -0.323 -11.395 1.00 1.00 C ATOM 1352 CD2 PHE A 87 -1.493 -1.314 -13.514 1.00 1.00 C ATOM 1353 CE1 PHE A 87 -0.493 -0.297 -11.174 1.00 1.00 C ATOM 1354 CE2 PHE A 87 -0.136 -1.322 -13.294 1.00 1.00 C ATOM 1355 CZ PHE A 87 0.363 -0.820 -12.115 1.00 1.00 C ATOM 0 H PHE A 87 -6.002 -1.590 -13.184 1.00 1.00 H new ATOM 0 HA PHE A 87 -4.815 -0.851 -10.933 1.00 1.00 H new ATOM 0 HB2 PHE A 87 -4.015 -1.999 -13.092 1.00 1.00 H new ATOM 0 HB3 PHE A 87 -3.952 -0.422 -13.853 1.00 1.00 H new ATOM 0 HD1 PHE A 87 -2.522 0.064 -10.643 1.00 1.00 H new ATOM 0 HD2 PHE A 87 -1.882 -1.689 -14.449 1.00 1.00 H new ATOM 0 HE1 PHE A 87 -0.100 0.133 -10.264 1.00 1.00 H new ATOM 0 HE2 PHE A 87 0.534 -1.720 -14.042 1.00 1.00 H new ATOM 0 HZ PHE A 87 1.427 -0.836 -11.928 1.00 1.00 H new ATOM 1365 N TRP A 88 -4.124 1.778 -12.599 1.00 1.00 N ATOM 1366 CA TRP A 88 -3.668 3.103 -12.315 1.00 1.00 C ATOM 1367 C TRP A 88 -4.804 4.063 -12.243 1.00 1.00 C ATOM 1368 O TRP A 88 -4.733 5.070 -11.539 1.00 1.00 O ATOM 1369 CB TRP A 88 -2.637 3.615 -13.336 1.00 1.00 C ATOM 1370 CG TRP A 88 -1.534 2.705 -13.823 1.00 1.00 C ATOM 1371 CD1 TRP A 88 -1.542 2.060 -15.027 1.00 1.00 C ATOM 1372 CD2 TRP A 88 -0.216 2.520 -13.274 1.00 1.00 C ATOM 1373 NE1 TRP A 88 -0.307 1.523 -15.284 1.00 1.00 N ATOM 1374 CE2 TRP A 88 0.517 1.790 -14.217 1.00 1.00 C ATOM 1375 CE3 TRP A 88 0.359 2.922 -12.099 1.00 1.00 C ATOM 1376 CZ2 TRP A 88 1.832 1.484 -13.998 1.00 1.00 C ATOM 1377 CZ3 TRP A 88 1.666 2.567 -11.864 1.00 1.00 C ATOM 1378 CH2 TRP A 88 2.397 1.887 -12.811 1.00 1.00 C ATOM 0 H TRP A 88 -3.968 1.474 -13.560 1.00 1.00 H new ATOM 0 HA TRP A 88 -3.177 3.042 -11.344 1.00 1.00 H new ATOM 0 HB2 TRP A 88 -3.190 3.951 -14.213 1.00 1.00 H new ATOM 0 HB3 TRP A 88 -2.162 4.495 -12.902 1.00 1.00 H new ATOM 0 HD1 TRP A 88 -2.397 1.984 -15.682 1.00 1.00 H new ATOM 0 HE1 TRP A 88 -0.044 1.011 -16.126 1.00 1.00 H new ATOM 0 HE3 TRP A 88 -0.198 3.501 -11.377 1.00 1.00 H new ATOM 0 HZ2 TRP A 88 2.408 0.943 -14.734 1.00 1.00 H new ATOM 0 HZ3 TRP A 88 2.126 2.826 -10.922 1.00 1.00 H new ATOM 0 HH2 TRP A 88 3.436 1.665 -12.618 1.00 1.00 H new ATOM 1389 N ASP A 89 -5.910 3.759 -12.945 1.00 1.00 N ATOM 1390 CA ASP A 89 -7.156 4.458 -12.889 1.00 1.00 C ATOM 1391 C ASP A 89 -7.770 4.473 -11.531 1.00 1.00 C ATOM 1392 O ASP A 89 -8.135 5.527 -11.013 1.00 1.00 O ATOM 1393 CB ASP A 89 -8.158 3.874 -13.899 1.00 1.00 C ATOM 1394 CG ASP A 89 -8.281 4.748 -15.138 1.00 1.00 C ATOM 1395 OD1 ASP A 89 -7.281 4.893 -15.888 1.00 1.00 O ATOM 1396 OD2 ASP A 89 -9.388 5.297 -15.393 1.00 1.00 O ATOM 0 H ASP A 89 -5.934 2.973 -13.594 1.00 1.00 H new ATOM 0 HA ASP A 89 -6.925 5.491 -13.148 1.00 1.00 H new ATOM 0 HB2 ASP A 89 -7.840 2.873 -14.190 1.00 1.00 H new ATOM 0 HB3 ASP A 89 -9.135 3.773 -13.426 1.00 1.00 H new ATOM 1401 N LEU A 90 -7.909 3.317 -10.857 1.00 1.00 N ATOM 1402 CA LEU A 90 -8.470 3.263 -9.543 1.00 1.00 C ATOM 1403 C LEU A 90 -7.565 3.904 -8.547 1.00 1.00 C ATOM 1404 O LEU A 90 -7.980 4.676 -7.686 1.00 1.00 O ATOM 1405 CB LEU A 90 -8.727 1.831 -9.047 1.00 1.00 C ATOM 1406 CG LEU A 90 -9.409 1.755 -7.669 1.00 1.00 C ATOM 1407 CD1 LEU A 90 -10.847 2.299 -7.692 1.00 1.00 C ATOM 1408 CD2 LEU A 90 -9.382 0.320 -7.117 1.00 1.00 C ATOM 0 H LEU A 90 -7.629 2.409 -11.228 1.00 1.00 H new ATOM 0 HA LEU A 90 -9.419 3.792 -9.625 1.00 1.00 H new ATOM 0 HB2 LEU A 90 -9.348 1.311 -9.777 1.00 1.00 H new ATOM 0 HB3 LEU A 90 -7.777 1.298 -9.000 1.00 1.00 H new ATOM 0 HG LEU A 90 -8.834 2.397 -7.001 1.00 1.00 H new ATOM 0 HD11 LEU A 90 -11.281 2.222 -6.695 1.00 1.00 H new ATOM 0 HD12 LEU A 90 -10.836 3.344 -8.003 1.00 1.00 H new ATOM 0 HD13 LEU A 90 -11.445 1.718 -8.394 1.00 1.00 H new ATOM 0 HD21 LEU A 90 -9.870 0.296 -6.143 1.00 1.00 H new ATOM 0 HD22 LEU A 90 -9.908 -0.344 -7.803 1.00 1.00 H new ATOM 0 HD23 LEU A 90 -8.349 -0.010 -7.013 1.00 1.00 H new ATOM 1420 N LEU A 91 -6.260 3.597 -8.668 1.00 1.00 N ATOM 1421 CA LEU A 91 -5.191 4.196 -7.930 1.00 1.00 C ATOM 1422 C LEU A 91 -5.215 5.685 -7.955 1.00 1.00 C ATOM 1423 O LEU A 91 -5.161 6.325 -6.905 1.00 1.00 O ATOM 1424 CB LEU A 91 -3.847 3.655 -8.445 1.00 1.00 C ATOM 1425 CG LEU A 91 -2.596 4.050 -7.644 1.00 1.00 C ATOM 1426 CD1 LEU A 91 -1.514 2.967 -7.789 1.00 1.00 C ATOM 1427 CD2 LEU A 91 -1.997 5.403 -8.066 1.00 1.00 C ATOM 0 H LEU A 91 -5.932 2.886 -9.322 1.00 1.00 H new ATOM 0 HA LEU A 91 -5.324 3.920 -6.884 1.00 1.00 H new ATOM 0 HB2 LEU A 91 -3.905 2.567 -8.472 1.00 1.00 H new ATOM 0 HB3 LEU A 91 -3.715 3.993 -9.473 1.00 1.00 H new ATOM 0 HG LEU A 91 -2.921 4.145 -6.608 1.00 1.00 H new ATOM 0 HD11 LEU A 91 -0.631 3.256 -7.218 1.00 1.00 H new ATOM 0 HD12 LEU A 91 -1.896 2.018 -7.412 1.00 1.00 H new ATOM 0 HD13 LEU A 91 -1.247 2.858 -8.840 1.00 1.00 H new ATOM 0 HD21 LEU A 91 -1.118 5.617 -7.459 1.00 1.00 H new ATOM 0 HD22 LEU A 91 -1.711 5.362 -9.117 1.00 1.00 H new ATOM 0 HD23 LEU A 91 -2.738 6.190 -7.922 1.00 1.00 H new ATOM 1439 N GLU A 92 -5.337 6.294 -9.148 1.00 1.00 N ATOM 1440 CA GLU A 92 -5.501 7.694 -9.387 1.00 1.00 C ATOM 1441 C GLU A 92 -6.669 8.281 -8.671 1.00 1.00 C ATOM 1442 O GLU A 92 -6.538 9.290 -7.980 1.00 1.00 O ATOM 1443 CB GLU A 92 -5.637 8.040 -10.880 1.00 1.00 C ATOM 1444 CG GLU A 92 -5.448 9.525 -11.197 1.00 1.00 C ATOM 1445 CD GLU A 92 -6.003 9.932 -12.555 1.00 1.00 C ATOM 1446 OE1 GLU A 92 -7.251 10.058 -12.658 1.00 1.00 O ATOM 1447 OE2 GLU A 92 -5.222 10.194 -13.507 1.00 1.00 O ATOM 0 H GLU A 92 -5.319 5.760 -10.017 1.00 1.00 H new ATOM 0 HA GLU A 92 -4.582 8.131 -8.995 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -4.904 7.463 -11.444 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -6.623 7.728 -11.226 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -5.934 10.118 -10.422 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -4.385 9.763 -11.162 1.00 1.00 H new ATOM 1454 N GLN A 93 -7.858 7.660 -8.763 1.00 1.00 N ATOM 1455 CA GLN A 93 -9.040 8.063 -8.064 1.00 1.00 C ATOM 1456 C GLN A 93 -8.898 8.038 -6.582 1.00 1.00 C ATOM 1457 O GLN A 93 -9.214 9.010 -5.899 1.00 1.00 O ATOM 1458 CB GLN A 93 -10.198 7.151 -8.504 1.00 1.00 C ATOM 1459 CG GLN A 93 -10.649 7.401 -9.944 1.00 1.00 C ATOM 1460 CD GLN A 93 -11.660 6.352 -10.382 1.00 1.00 C ATOM 1461 OE1 GLN A 93 -12.859 6.448 -10.127 1.00 1.00 O ATOM 1462 NE2 GLN A 93 -11.157 5.292 -11.071 1.00 1.00 N ATOM 0 H GLN A 93 -8.003 6.839 -9.351 1.00 1.00 H new ATOM 0 HA GLN A 93 -9.237 9.104 -8.322 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -9.891 6.110 -8.402 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -11.045 7.301 -7.834 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -11.090 8.394 -10.025 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -9.786 7.381 -10.609 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -10.158 5.240 -11.268 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -11.779 4.550 -11.391 1.00 1.00 H new ATOM 1471 N ALA A 94 -8.370 6.932 -6.027 1.00 1.00 N ATOM 1472 CA ALA A 94 -8.051 6.772 -4.642 1.00 1.00 C ATOM 1473 C ALA A 94 -7.071 7.781 -4.145 1.00 1.00 C ATOM 1474 O ALA A 94 -7.315 8.446 -3.140 1.00 1.00 O ATOM 1475 CB ALA A 94 -7.519 5.350 -4.391 1.00 1.00 C ATOM 0 H ALA A 94 -8.153 6.101 -6.578 1.00 1.00 H new ATOM 0 HA ALA A 94 -8.973 6.933 -4.084 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -7.277 5.233 -3.335 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -8.280 4.622 -4.672 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -6.622 5.186 -4.989 1.00 1.00 H new ATOM 1481 N ALA A 95 -5.947 7.976 -4.860 1.00 1.00 N ATOM 1482 CA ALA A 95 -4.920 8.927 -4.573 1.00 1.00 C ATOM 1483 C ALA A 95 -5.387 10.343 -4.561 1.00 1.00 C ATOM 1484 O ALA A 95 -5.111 11.100 -3.633 1.00 1.00 O ATOM 1485 CB ALA A 95 -3.780 8.746 -5.588 1.00 1.00 C ATOM 0 H ALA A 95 -5.744 7.429 -5.697 1.00 1.00 H new ATOM 0 HA ALA A 95 -4.575 8.729 -3.558 1.00 1.00 H new ATOM 0 HB1 ALA A 95 -2.989 9.467 -5.379 1.00 1.00 H new ATOM 0 HB2 ALA A 95 -3.380 7.735 -5.509 1.00 1.00 H new ATOM 0 HB3 ALA A 95 -4.161 8.908 -6.596 1.00 1.00 H new ATOM 1491 N THR A 96 -6.177 10.734 -5.577 1.00 1.00 N ATOM 1492 CA THR A 96 -6.757 12.033 -5.732 1.00 1.00 C ATOM 1493 C THR A 96 -7.669 12.389 -4.608 1.00 1.00 C ATOM 1494 O THR A 96 -7.691 13.519 -4.122 1.00 1.00 O ATOM 1495 CB THR A 96 -7.454 12.199 -7.050 1.00 1.00 C ATOM 1496 OG1 THR A 96 -6.515 12.017 -8.100 1.00 1.00 O ATOM 1497 CG2 THR A 96 -8.050 13.604 -7.238 1.00 1.00 C ATOM 0 H THR A 96 -6.426 10.103 -6.338 1.00 1.00 H new ATOM 0 HA THR A 96 -5.919 12.730 -5.712 1.00 1.00 H new ATOM 0 HB THR A 96 -8.258 11.464 -7.069 1.00 1.00 H new ATOM 0 HG1 THR A 96 -6.360 11.059 -8.238 1.00 1.00 H new ATOM 0 HG21 THR A 96 -8.541 13.664 -8.209 1.00 1.00 H new ATOM 0 HG22 THR A 96 -8.778 13.799 -6.451 1.00 1.00 H new ATOM 0 HG23 THR A 96 -7.254 14.347 -7.188 1.00 1.00 H new ATOM 1505 N GLN A 97 -8.410 11.394 -4.090 1.00 1.00 N ATOM 1506 CA GLN A 97 -9.182 11.502 -2.893 1.00 1.00 C ATOM 1507 C GLN A 97 -8.349 11.618 -1.662 1.00 1.00 C ATOM 1508 O GLN A 97 -8.466 12.571 -0.893 1.00 1.00 O ATOM 1509 CB GLN A 97 -10.091 10.265 -2.805 1.00 1.00 C ATOM 1510 CG GLN A 97 -10.663 9.836 -1.453 1.00 1.00 C ATOM 1511 CD GLN A 97 -11.801 10.706 -0.940 1.00 1.00 C ATOM 1512 OE1 GLN A 97 -12.961 10.298 -0.915 1.00 1.00 O ATOM 1513 NE2 GLN A 97 -11.474 11.939 -0.470 1.00 1.00 N ATOM 0 H GLN A 97 -8.473 10.474 -4.525 1.00 1.00 H new ATOM 0 HA GLN A 97 -9.764 12.422 -2.945 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -10.934 10.432 -3.476 1.00 1.00 H new ATOM 0 HB3 GLN A 97 -9.529 9.420 -3.203 1.00 1.00 H new ATOM 0 HG2 GLN A 97 -11.017 8.808 -1.533 1.00 1.00 H new ATOM 0 HG3 GLN A 97 -9.860 9.840 -0.716 1.00 1.00 H new ATOM 0 HE21 GLN A 97 -10.505 12.256 -0.501 1.00 1.00 H new ATOM 0 HE22 GLN A 97 -12.198 12.547 -0.086 1.00 1.00 H new ATOM 1522 N GLN A 98 -7.498 10.612 -1.390 1.00 1.00 N ATOM 1523 CA GLN A 98 -6.847 10.429 -0.129 1.00 1.00 C ATOM 1524 C GLN A 98 -5.696 11.332 0.149 1.00 1.00 C ATOM 1525 O GLN A 98 -5.341 11.510 1.313 1.00 1.00 O ATOM 1526 CB GLN A 98 -6.515 8.936 0.042 1.00 1.00 C ATOM 1527 CG GLN A 98 -5.319 8.411 -0.753 1.00 1.00 C ATOM 1528 CD GLN A 98 -5.436 6.941 -1.129 1.00 1.00 C ATOM 1529 OE1 GLN A 98 -6.306 6.185 -0.703 1.00 1.00 O ATOM 1530 NE2 GLN A 98 -4.477 6.499 -1.987 1.00 1.00 N ATOM 0 H GLN A 98 -7.254 9.898 -2.076 1.00 1.00 H new ATOM 0 HA GLN A 98 -7.552 10.741 0.642 1.00 1.00 H new ATOM 0 HB2 GLN A 98 -6.333 8.745 1.100 1.00 1.00 H new ATOM 0 HB3 GLN A 98 -7.394 8.356 -0.240 1.00 1.00 H new ATOM 0 HG2 GLN A 98 -5.210 9.002 -1.662 1.00 1.00 H new ATOM 0 HG3 GLN A 98 -4.412 8.557 -0.167 1.00 1.00 H new ATOM 0 HE21 GLN A 98 -3.763 7.142 -2.329 1.00 1.00 H new ATOM 0 HE22 GLN A 98 -4.472 5.524 -2.288 1.00 1.00 H new ATOM 1539 N ALA A 99 -5.083 11.955 -0.874 1.00 1.00 N ATOM 1540 CA ALA A 99 -4.116 13.000 -0.732 1.00 1.00 C ATOM 1541 C ALA A 99 -4.719 14.352 -0.898 1.00 1.00 C ATOM 1542 O ALA A 99 -4.327 15.303 -0.225 1.00 1.00 O ATOM 1543 CB ALA A 99 -3.000 12.810 -1.773 1.00 1.00 C ATOM 0 H ALA A 99 -5.271 11.718 -1.848 1.00 1.00 H new ATOM 0 HA ALA A 99 -3.712 12.939 0.278 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -2.263 13.606 -1.666 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -2.518 11.845 -1.617 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -3.427 12.844 -2.775 1.00 1.00 H new ATOM 1549 N GLY A 100 -5.706 14.501 -1.799 1.00 1.00 N ATOM 1550 CA GLY A 100 -6.513 15.674 -1.926 1.00 1.00 C ATOM 1551 C GLY A 100 -6.244 16.533 -3.114 1.00 1.00 C ATOM 1552 O GLY A 100 -6.759 17.646 -3.221 1.00 1.00 O ATOM 0 H GLY A 100 -5.952 13.772 -2.468 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -7.559 15.369 -1.954 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -6.381 16.279 -1.029 1.00 1.00 H new ATOM 1556 N GLU A 101 -5.442 16.049 -4.078 1.00 1.00 N ATOM 1557 CA GLU A 101 -5.048 16.770 -5.249 1.00 1.00 C ATOM 1558 C GLU A 101 -4.861 15.741 -6.311 1.00 1.00 C ATOM 1559 O GLU A 101 -4.704 14.567 -5.976 1.00 1.00 O ATOM 1560 CB GLU A 101 -3.726 17.533 -5.062 1.00 1.00 C ATOM 1561 CG GLU A 101 -2.598 16.705 -4.442 1.00 1.00 C ATOM 1562 CD GLU A 101 -1.256 17.422 -4.472 1.00 1.00 C ATOM 1563 OE1 GLU A 101 -1.128 18.544 -3.910 1.00 1.00 O ATOM 1564 OE2 GLU A 101 -0.293 16.850 -5.047 1.00 1.00 O ATOM 0 H GLU A 101 -5.049 15.109 -4.039 1.00 1.00 H new ATOM 0 HA GLU A 101 -5.805 17.515 -5.492 1.00 1.00 H new ATOM 0 HB2 GLU A 101 -3.396 17.905 -6.032 1.00 1.00 H new ATOM 0 HB3 GLU A 101 -3.909 18.403 -4.432 1.00 1.00 H new ATOM 0 HG2 GLU A 101 -2.854 16.466 -3.410 1.00 1.00 H new ATOM 0 HG3 GLU A 101 -2.512 15.759 -4.977 1.00 1.00 H new ATOM 1571 N THR A 102 -4.862 16.085 -7.611 1.00 1.00 N ATOM 1572 CA THR A 102 -4.715 15.122 -8.657 1.00 1.00 C ATOM 1573 C THR A 102 -3.370 14.479 -8.645 1.00 1.00 C ATOM 1574 O THR A 102 -2.356 15.119 -8.911 1.00 1.00 O ATOM 1575 CB THR A 102 -4.913 15.659 -10.043 1.00 1.00 C ATOM 1576 OG1 THR A 102 -6.109 16.419 -10.127 1.00 1.00 O ATOM 1577 CG2 THR A 102 -5.010 14.531 -11.084 1.00 1.00 C ATOM 0 H THR A 102 -4.966 17.045 -7.941 1.00 1.00 H new ATOM 0 HA THR A 102 -5.509 14.408 -8.438 1.00 1.00 H new ATOM 0 HB THR A 102 -4.045 16.283 -10.254 1.00 1.00 H new ATOM 0 HG1 THR A 102 -6.216 16.760 -11.039 1.00 1.00 H new ATOM 0 HG21 THR A 102 -5.153 14.962 -12.075 1.00 1.00 H new ATOM 0 HG22 THR A 102 -4.091 13.945 -11.072 1.00 1.00 H new ATOM 0 HG23 THR A 102 -5.855 13.886 -10.843 1.00 1.00 H new ATOM 1585 N VAL A 103 -3.309 13.178 -8.310 1.00 1.00 N ATOM 1586 CA VAL A 103 -2.082 12.448 -8.218 1.00 1.00 C ATOM 1587 C VAL A 103 -1.827 11.745 -9.506 1.00 1.00 C ATOM 1588 O VAL A 103 -2.478 10.770 -9.877 1.00 1.00 O ATOM 1589 CB VAL A 103 -2.073 11.460 -7.091 1.00 1.00 C ATOM 1590 CG1 VAL A 103 -0.731 10.715 -7.002 1.00 1.00 C ATOM 1591 CG2 VAL A 103 -2.350 12.186 -5.764 1.00 1.00 C ATOM 0 H VAL A 103 -4.135 12.618 -8.097 1.00 1.00 H new ATOM 0 HA VAL A 103 -1.291 13.170 -8.012 1.00 1.00 H new ATOM 0 HB VAL A 103 -2.854 10.724 -7.283 1.00 1.00 H new ATOM 0 HG11 VAL A 103 -0.762 10.007 -6.173 1.00 1.00 H new ATOM 0 HG12 VAL A 103 -0.551 10.177 -7.933 1.00 1.00 H new ATOM 0 HG13 VAL A 103 0.073 11.432 -6.837 1.00 1.00 H new ATOM 0 HG21 VAL A 103 -2.343 11.465 -4.946 1.00 1.00 H new ATOM 0 HG22 VAL A 103 -1.579 12.937 -5.592 1.00 1.00 H new ATOM 0 HG23 VAL A 103 -3.325 12.671 -5.811 1.00 1.00 H new ATOM 1601 N SER A 104 -0.837 12.255 -10.260 1.00 1.00 N ATOM 1602 CA SER A 104 -0.477 11.778 -11.559 1.00 1.00 C ATOM 1603 C SER A 104 0.372 10.558 -11.472 1.00 1.00 C ATOM 1604 O SER A 104 1.539 10.627 -11.090 1.00 1.00 O ATOM 1605 CB SER A 104 0.293 12.810 -12.401 1.00 1.00 C ATOM 1606 OG SER A 104 -0.514 13.945 -12.681 1.00 1.00 O ATOM 0 H SER A 104 -0.260 13.037 -9.949 1.00 1.00 H new ATOM 0 HA SER A 104 -1.428 11.563 -12.046 1.00 1.00 H new ATOM 0 HB2 SER A 104 1.192 13.121 -11.868 1.00 1.00 H new ATOM 0 HB3 SER A 104 0.619 12.352 -13.335 1.00 1.00 H new ATOM 0 HG SER A 104 -0.002 14.587 -13.216 1.00 1.00 H new ATOM 1612 N PHE A 105 -0.204 9.384 -11.788 1.00 1.00 N ATOM 1613 CA PHE A 105 0.537 8.176 -11.978 1.00 1.00 C ATOM 1614 C PHE A 105 -0.033 7.406 -13.121 1.00 1.00 C ATOM 1615 O PHE A 105 0.571 6.449 -13.602 1.00 1.00 O ATOM 1616 CB PHE A 105 0.548 7.387 -10.659 1.00 1.00 C ATOM 1617 CG PHE A 105 1.637 6.393 -10.443 1.00 1.00 C ATOM 1618 CD1 PHE A 105 2.744 6.244 -11.246 1.00 1.00 C ATOM 1619 CD2 PHE A 105 1.556 5.644 -9.294 1.00 1.00 C ATOM 1620 CE1 PHE A 105 3.744 5.364 -10.910 1.00 1.00 C ATOM 1621 CE2 PHE A 105 2.551 4.761 -8.941 1.00 1.00 C ATOM 1622 CZ PHE A 105 3.653 4.628 -9.751 1.00 1.00 C ATOM 0 H PHE A 105 -1.210 9.272 -11.915 1.00 1.00 H new ATOM 0 HA PHE A 105 1.573 8.390 -12.239 1.00 1.00 H new ATOM 0 HB2 PHE A 105 0.586 8.106 -9.841 1.00 1.00 H new ATOM 0 HB3 PHE A 105 -0.404 6.862 -10.577 1.00 1.00 H new ATOM 0 HD1 PHE A 105 2.828 6.826 -12.152 1.00 1.00 H new ATOM 0 HD2 PHE A 105 0.693 5.750 -8.654 1.00 1.00 H new ATOM 0 HE1 PHE A 105 4.602 5.250 -11.556 1.00 1.00 H new ATOM 0 HE2 PHE A 105 2.466 4.178 -8.036 1.00 1.00 H new ATOM 0 HZ PHE A 105 4.446 3.947 -9.479 1.00 1.00 H new ATOM 1632 N ARG A 106 -1.226 7.777 -13.618 1.00 1.00 N ATOM 1633 CA ARG A 106 -1.918 7.173 -14.714 1.00 1.00 C ATOM 1634 C ARG A 106 -1.503 7.808 -16.034 1.00 1.00 C ATOM 1635 O ARG A 106 -1.147 7.064 -16.988 1.00 1.00 O ATOM 1636 CB ARG A 106 -3.418 7.420 -14.489 1.00 1.00 C ATOM 1637 CG ARG A 106 -4.408 6.463 -15.156 1.00 1.00 C ATOM 1638 CD ARG A 106 -4.522 6.503 -16.682 1.00 1.00 C ATOM 1639 NE ARG A 106 -3.618 5.469 -17.260 1.00 1.00 N ATOM 1640 CZ ARG A 106 -3.952 4.147 -17.323 1.00 1.00 C ATOM 1641 NH1 ARG A 106 -5.104 3.644 -16.791 1.00 1.00 N ATOM 1642 NH2 ARG A 106 -3.129 3.238 -17.922 1.00 1.00 N ATOM 1643 OXT ARG A 106 -1.560 9.060 -16.155 1.00 1.00 O ATOM 0 H ARG A 106 -1.746 8.560 -13.222 1.00 1.00 H new ATOM 0 HA ARG A 106 -1.685 6.109 -14.763 1.00 1.00 H new ATOM 0 HB2 ARG A 106 -3.603 7.398 -13.415 1.00 1.00 H new ATOM 0 HB3 ARG A 106 -3.646 8.429 -14.831 1.00 1.00 H new ATOM 0 HG2 ARG A 106 -4.138 5.447 -14.867 1.00 1.00 H new ATOM 0 HG3 ARG A 106 -5.396 6.661 -14.741 1.00 1.00 H new ATOM 0 HD2 ARG A 106 -5.552 6.318 -16.988 1.00 1.00 H new ATOM 0 HD3 ARG A 106 -4.252 7.491 -17.055 1.00 1.00 H new ATOM 0 HE ARG A 106 -2.711 5.761 -17.624 1.00 1.00 H new ATOM 0 HH11 ARG A 106 -5.762 4.265 -16.320 1.00 1.00 H new ATOM 0 HH12 ARG A 106 -5.307 2.647 -16.865 1.00 1.00 H new ATOM 0 HH21 ARG A 106 -2.246 3.542 -18.333 1.00 1.00 H new ATOM 0 HH22 ARG A 106 -3.397 2.254 -17.959 1.00 1.00 H new TER 1657 ARG A 106