USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 786 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 50 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 70 TYR OH : rot 52:sc= 1.45 USER MOD Set 2.1: A 32 TYR OH : rot -48:sc= 0.148 USER MOD Set 2.2: A 40 CYS SG : rot 170:sc= -0.0432 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0815 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -27:sc= 0.152 USER MOD Single : A 10 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.31) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -102:sc= -0.149 (180deg=-2.23) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl -173:sc= -0.0527 (180deg=-0.222) USER MOD Single : A 20 ASN : amide:sc= -1.23 X(o=-1.2,f=-1.1) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -121:sc= 0 (180deg=-1.75!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.195 USER MOD Single : A 62 LYS NZ :NH3+ -142:sc= -0.348 (180deg=-1.62!) USER MOD Single : A 64 HIS : no HE2:sc= -4.63! C(o=-4.6!,f=-5.5!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.21 USER MOD Single : A 72 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.072) USER MOD Single : A 78 SER OG : rot -71:sc= 0.876 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.452 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.00143 USER MOD Single : A 85 SER OG : rot 180:sc= -0.959 USER MOD Single : A 89 SER OG : rot 43:sc= -0.22 USER MOD Single : A 90 THR OG1 : rot 34:sc= 1.03 USER MOD Single : A 96 GLN : amide:sc= 0.299 X(o=0.3,f=-0.053) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.169 -23.375 4.268 1.00 0.00 N ATOM 2 CA GLY A 1 -25.379 -23.645 5.455 1.00 0.00 C ATOM 3 C GLY A 1 -25.031 -22.383 6.219 1.00 0.00 C ATOM 4 O GLY A 1 -25.229 -21.274 5.723 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.129 -23.755 4.396 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.221 -22.348 4.112 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.724 -23.828 3.444 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.930 -24.321 6.108 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.461 -24.157 5.168 1.00 0.00 H new ATOM 8 N SER A 2 -24.513 -22.552 7.432 1.00 0.00 N ATOM 9 CA SER A 2 -24.143 -21.417 8.269 1.00 0.00 C ATOM 10 C SER A 2 -22.704 -21.550 8.759 1.00 0.00 C ATOM 11 O SER A 2 -21.867 -20.684 8.504 1.00 0.00 O ATOM 12 CB SER A 2 -25.092 -21.305 9.463 1.00 0.00 C ATOM 13 OG SER A 2 -25.175 -19.968 9.925 1.00 0.00 O ATOM 0 H SER A 2 -24.340 -23.463 7.856 1.00 0.00 H new ATOM 0 HA SER A 2 -24.221 -20.512 7.666 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.083 -21.657 9.178 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.745 -21.951 10.269 1.00 0.00 H new ATOM 0 HG SER A 2 -25.789 -19.923 10.687 1.00 0.00 H new ATOM 19 N SER A 3 -22.424 -22.642 9.463 1.00 0.00 N ATOM 20 CA SER A 3 -21.088 -22.888 9.993 1.00 0.00 C ATOM 21 C SER A 3 -20.104 -23.190 8.867 1.00 0.00 C ATOM 22 O SER A 3 -20.292 -24.132 8.098 1.00 0.00 O ATOM 23 CB SER A 3 -21.117 -24.052 10.985 1.00 0.00 C ATOM 24 OG SER A 3 -22.063 -23.822 12.015 1.00 0.00 O ATOM 0 H SER A 3 -23.104 -23.370 9.680 1.00 0.00 H new ATOM 0 HA SER A 3 -20.757 -21.987 10.510 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.364 -24.975 10.460 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.127 -24.188 11.420 1.00 0.00 H new ATOM 0 HG SER A 3 -22.063 -24.581 12.635 1.00 0.00 H new ATOM 30 N GLY A 4 -19.053 -22.381 8.775 1.00 0.00 N ATOM 31 CA GLY A 4 -18.054 -22.576 7.740 1.00 0.00 C ATOM 32 C GLY A 4 -16.651 -22.690 8.303 1.00 0.00 C ATOM 33 O GLY A 4 -16.311 -22.024 9.280 1.00 0.00 O ATOM 0 H GLY A 4 -18.875 -21.594 9.399 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.291 -23.478 7.176 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.094 -21.743 7.039 1.00 0.00 H new ATOM 37 N SER A 5 -15.835 -23.538 7.685 1.00 0.00 N ATOM 38 CA SER A 5 -14.463 -23.742 8.133 1.00 0.00 C ATOM 39 C SER A 5 -13.503 -23.776 6.948 1.00 0.00 C ATOM 40 O SER A 5 -13.776 -24.416 5.932 1.00 0.00 O ATOM 41 CB SER A 5 -14.352 -25.042 8.931 1.00 0.00 C ATOM 42 OG SER A 5 -13.156 -25.074 9.691 1.00 0.00 O ATOM 0 H SER A 5 -16.101 -24.095 6.873 1.00 0.00 H new ATOM 0 HA SER A 5 -14.189 -22.905 8.776 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.211 -25.139 9.595 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.377 -25.893 8.251 1.00 0.00 H new ATOM 0 HG SER A 5 -13.110 -25.914 10.193 1.00 0.00 H new ATOM 48 N SER A 6 -12.378 -23.082 7.085 1.00 0.00 N ATOM 49 CA SER A 6 -11.378 -23.029 6.024 1.00 0.00 C ATOM 50 C SER A 6 -10.125 -22.299 6.495 1.00 0.00 C ATOM 51 O SER A 6 -10.206 -21.254 7.140 1.00 0.00 O ATOM 52 CB SER A 6 -11.953 -22.335 4.788 1.00 0.00 C ATOM 53 OG SER A 6 -12.397 -21.026 5.098 1.00 0.00 O ATOM 0 H SER A 6 -12.136 -22.549 7.920 1.00 0.00 H new ATOM 0 HA SER A 6 -11.105 -24.052 5.764 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.194 -22.289 4.007 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.783 -22.920 4.392 1.00 0.00 H new ATOM 0 HG SER A 6 -12.758 -20.603 4.291 1.00 0.00 H new ATOM 59 N GLY A 7 -8.963 -22.857 6.168 1.00 0.00 N ATOM 60 CA GLY A 7 -7.708 -22.247 6.565 1.00 0.00 C ATOM 61 C GLY A 7 -7.622 -20.787 6.166 1.00 0.00 C ATOM 62 O GLY A 7 -8.595 -20.209 5.684 1.00 0.00 O ATOM 0 H GLY A 7 -8.869 -23.721 5.635 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.591 -22.333 7.645 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.882 -22.794 6.111 1.00 0.00 H new ATOM 66 N GLY A 8 -6.452 -20.188 6.369 1.00 0.00 N ATOM 67 CA GLY A 8 -6.264 -18.791 6.023 1.00 0.00 C ATOM 68 C GLY A 8 -4.823 -18.346 6.170 1.00 0.00 C ATOM 69 O GLY A 8 -3.897 -19.110 5.894 1.00 0.00 O ATOM 0 H GLY A 8 -5.632 -20.645 6.767 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.588 -18.628 4.995 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.898 -18.174 6.659 1.00 0.00 H new ATOM 73 N THR A 9 -4.630 -17.104 6.604 1.00 0.00 N ATOM 74 CA THR A 9 -3.291 -16.557 6.785 1.00 0.00 C ATOM 75 C THR A 9 -3.321 -15.306 7.656 1.00 0.00 C ATOM 76 O THR A 9 -4.307 -14.570 7.665 1.00 0.00 O ATOM 77 CB THR A 9 -2.638 -16.212 5.433 1.00 0.00 C ATOM 78 OG1 THR A 9 -2.778 -17.312 4.527 1.00 0.00 O ATOM 79 CG2 THR A 9 -1.164 -15.881 5.613 1.00 0.00 C ATOM 0 H THR A 9 -5.384 -16.458 6.837 1.00 0.00 H new ATOM 0 HA THR A 9 -2.699 -17.327 7.280 1.00 0.00 H new ATOM 0 HB THR A 9 -3.143 -15.337 5.023 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.838 -18.148 5.034 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.724 -15.641 4.645 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.062 -15.025 6.280 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.648 -16.740 6.043 1.00 0.00 H new ATOM 87 N GLN A 10 -2.235 -15.073 8.385 1.00 0.00 N ATOM 88 CA GLN A 10 -2.138 -13.910 9.260 1.00 0.00 C ATOM 89 C GLN A 10 -2.847 -12.707 8.646 1.00 0.00 C ATOM 90 O GLN A 10 -3.830 -12.206 9.194 1.00 0.00 O ATOM 91 CB GLN A 10 -0.672 -13.569 9.530 1.00 0.00 C ATOM 92 CG GLN A 10 -0.030 -14.444 10.595 1.00 0.00 C ATOM 93 CD GLN A 10 0.543 -15.728 10.028 1.00 0.00 C ATOM 94 OE1 GLN A 10 1.350 -15.703 9.099 1.00 0.00 O ATOM 95 NE2 GLN A 10 0.128 -16.859 10.587 1.00 0.00 N ATOM 0 H GLN A 10 -1.410 -15.673 8.388 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.626 -14.155 10.203 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.108 -13.667 8.602 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.601 -12.526 9.837 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.763 -13.884 11.090 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -0.772 -14.687 11.356 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.542 -16.832 11.355 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.480 -17.754 10.248 1.00 0.00 H new ATOM 104 N LEU A 11 -2.343 -12.247 7.507 1.00 0.00 N ATOM 105 CA LEU A 11 -2.928 -11.102 6.818 1.00 0.00 C ATOM 106 C LEU A 11 -4.413 -11.327 6.552 1.00 0.00 C ATOM 107 O LEU A 11 -5.234 -10.438 6.775 1.00 0.00 O ATOM 108 CB LEU A 11 -2.195 -10.846 5.500 1.00 0.00 C ATOM 109 CG LEU A 11 -2.439 -9.483 4.850 1.00 0.00 C ATOM 110 CD1 LEU A 11 -1.844 -8.372 5.700 1.00 0.00 C ATOM 111 CD2 LEU A 11 -1.859 -9.451 3.444 1.00 0.00 C ATOM 0 H LEU A 11 -1.530 -12.649 7.040 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.821 -10.229 7.461 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.125 -10.956 5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.483 -11.621 4.790 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.515 -9.322 4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.027 -7.410 5.222 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.307 -8.381 6.687 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.770 -8.527 5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.042 -8.474 2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.785 -9.634 3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.333 -10.222 2.837 1.00 0.00 H new ATOM 123 N GLU A 12 -4.749 -12.521 6.076 1.00 0.00 N ATOM 124 CA GLU A 12 -6.136 -12.863 5.781 1.00 0.00 C ATOM 125 C GLU A 12 -7.026 -12.623 6.998 1.00 0.00 C ATOM 126 O GLU A 12 -8.159 -12.159 6.871 1.00 0.00 O ATOM 127 CB GLU A 12 -6.242 -14.323 5.338 1.00 0.00 C ATOM 128 CG GLU A 12 -6.101 -14.516 3.838 1.00 0.00 C ATOM 129 CD GLU A 12 -7.298 -13.993 3.067 1.00 0.00 C ATOM 130 OE1 GLU A 12 -8.441 -14.259 3.496 1.00 0.00 O ATOM 131 OE2 GLU A 12 -7.093 -13.319 2.037 1.00 0.00 O ATOM 0 H GLU A 12 -4.081 -13.268 5.886 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.477 -12.220 4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.472 -14.904 5.845 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.204 -14.722 5.658 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.201 -14.007 3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.970 -15.576 3.623 1.00 0.00 H new ATOM 138 N LYS A 13 -6.504 -12.943 8.177 1.00 0.00 N ATOM 139 CA LYS A 13 -7.248 -12.763 9.418 1.00 0.00 C ATOM 140 C LYS A 13 -7.542 -11.287 9.667 1.00 0.00 C ATOM 141 O LYS A 13 -8.699 -10.865 9.664 1.00 0.00 O ATOM 142 CB LYS A 13 -6.463 -13.344 10.596 1.00 0.00 C ATOM 143 CG LYS A 13 -6.772 -14.805 10.872 1.00 0.00 C ATOM 144 CD LYS A 13 -5.572 -15.527 11.462 1.00 0.00 C ATOM 145 CE LYS A 13 -4.700 -16.137 10.376 1.00 0.00 C ATOM 146 NZ LYS A 13 -3.642 -17.019 10.943 1.00 0.00 N ATOM 0 H LYS A 13 -5.568 -13.329 8.299 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.196 -13.293 9.324 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.396 -13.238 10.398 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.681 -12.760 11.490 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.615 -14.876 11.560 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.074 -15.295 9.946 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.981 -14.829 12.055 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.914 -16.310 12.139 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.323 -16.712 9.691 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.236 -15.341 9.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.069 -17.415 10.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.032 -16.465 11.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.085 -17.793 11.477 1.00 0.00 H new ATOM 160 N LEU A 14 -6.488 -10.507 9.881 1.00 0.00 N ATOM 161 CA LEU A 14 -6.633 -9.077 10.130 1.00 0.00 C ATOM 162 C LEU A 14 -7.449 -8.412 9.026 1.00 0.00 C ATOM 163 O LEU A 14 -8.463 -7.768 9.292 1.00 0.00 O ATOM 164 CB LEU A 14 -5.258 -8.415 10.233 1.00 0.00 C ATOM 165 CG LEU A 14 -5.249 -6.950 10.671 1.00 0.00 C ATOM 166 CD1 LEU A 14 -5.186 -6.847 12.186 1.00 0.00 C ATOM 167 CD2 LEU A 14 -4.080 -6.211 10.035 1.00 0.00 C ATOM 0 H LEU A 14 -5.524 -10.841 9.887 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.162 -8.950 11.074 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.653 -8.987 10.936 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.769 -8.486 9.261 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.175 -6.484 10.334 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.180 -5.797 12.479 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.055 -7.341 12.621 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.277 -7.329 12.546 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.089 -5.170 10.358 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.144 -6.678 10.342 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.169 -6.255 8.950 1.00 0.00 H new ATOM 179 N MET A 15 -7.000 -8.575 7.786 1.00 0.00 N ATOM 180 CA MET A 15 -7.690 -7.993 6.641 1.00 0.00 C ATOM 181 C MET A 15 -9.148 -8.439 6.601 1.00 0.00 C ATOM 182 O MET A 15 -10.032 -7.668 6.230 1.00 0.00 O ATOM 183 CB MET A 15 -6.988 -8.387 5.340 1.00 0.00 C ATOM 184 CG MET A 15 -5.651 -7.694 5.137 1.00 0.00 C ATOM 185 SD MET A 15 -5.807 -5.900 5.038 1.00 0.00 S ATOM 186 CE MET A 15 -4.484 -5.385 6.129 1.00 0.00 C ATOM 0 H MET A 15 -6.162 -9.105 7.548 1.00 0.00 H new ATOM 0 HA MET A 15 -7.663 -6.908 6.745 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.833 -9.466 5.333 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.641 -8.153 4.499 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.984 -7.952 5.959 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.189 -8.066 4.223 1.00 0.00 H new ATOM 0 HE1 MET A 15 -4.901 -5.088 7.091 1.00 0.00 H new ATOM 0 HE2 MET A 15 -3.789 -6.212 6.274 1.00 0.00 H new ATOM 0 HE3 MET A 15 -3.956 -4.541 5.687 1.00 0.00 H new ATOM 196 N GLU A 16 -9.391 -9.689 6.984 1.00 0.00 N ATOM 197 CA GLU A 16 -10.742 -10.237 6.990 1.00 0.00 C ATOM 198 C GLU A 16 -11.640 -9.458 7.948 1.00 0.00 C ATOM 199 O GLU A 16 -12.822 -9.249 7.675 1.00 0.00 O ATOM 200 CB GLU A 16 -10.716 -11.714 7.387 1.00 0.00 C ATOM 201 CG GLU A 16 -12.080 -12.270 7.758 1.00 0.00 C ATOM 202 CD GLU A 16 -11.992 -13.596 8.487 1.00 0.00 C ATOM 203 OE1 GLU A 16 -11.209 -13.689 9.456 1.00 0.00 O ATOM 204 OE2 GLU A 16 -12.704 -14.541 8.089 1.00 0.00 O ATOM 0 H GLU A 16 -8.670 -10.341 7.294 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.148 -10.146 5.982 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.309 -12.296 6.561 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.039 -11.842 8.232 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.603 -11.549 8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.675 -12.396 6.853 1.00 0.00 H new ATOM 211 N ASN A 17 -11.071 -9.033 9.071 1.00 0.00 N ATOM 212 CA ASN A 17 -11.819 -8.279 10.069 1.00 0.00 C ATOM 213 C ASN A 17 -12.025 -6.835 9.620 1.00 0.00 C ATOM 214 O ASN A 17 -13.105 -6.270 9.788 1.00 0.00 O ATOM 215 CB ASN A 17 -11.089 -8.307 11.413 1.00 0.00 C ATOM 216 CG ASN A 17 -11.325 -9.599 12.173 1.00 0.00 C ATOM 217 OD1 ASN A 17 -12.433 -9.864 12.638 1.00 0.00 O ATOM 218 ND2 ASN A 17 -10.280 -10.409 12.300 1.00 0.00 N ATOM 0 H ASN A 17 -10.094 -9.198 9.312 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.796 -8.748 10.184 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.020 -8.177 11.245 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.421 -7.465 12.021 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.378 -11.293 12.800 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.380 -10.147 11.898 1.00 0.00 H new ATOM 225 N MET A 18 -10.981 -6.246 9.047 1.00 0.00 N ATOM 226 CA MET A 18 -11.047 -4.869 8.571 1.00 0.00 C ATOM 227 C MET A 18 -11.994 -4.750 7.381 1.00 0.00 C ATOM 228 O MET A 18 -12.943 -3.966 7.407 1.00 0.00 O ATOM 229 CB MET A 18 -9.653 -4.374 8.181 1.00 0.00 C ATOM 230 CG MET A 18 -9.657 -3.001 7.528 1.00 0.00 C ATOM 231 SD MET A 18 -8.036 -2.529 6.894 1.00 0.00 S ATOM 232 CE MET A 18 -8.059 -3.317 5.286 1.00 0.00 C ATOM 0 H MET A 18 -10.079 -6.700 8.901 1.00 0.00 H new ATOM 0 HA MET A 18 -11.431 -4.249 9.381 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.025 -4.342 9.072 1.00 0.00 H new ATOM 0 HB3 MET A 18 -9.200 -5.091 7.497 1.00 0.00 H new ATOM 0 HG2 MET A 18 -10.379 -2.994 6.711 1.00 0.00 H new ATOM 0 HG3 MET A 18 -9.989 -2.259 8.254 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.078 -3.223 4.820 1.00 0.00 H new ATOM 0 HE2 MET A 18 -8.306 -4.372 5.402 1.00 0.00 H new ATOM 0 HE3 MET A 18 -8.807 -2.836 4.656 1.00 0.00 H new ATOM 242 N ARG A 19 -11.729 -5.532 6.339 1.00 0.00 N ATOM 243 CA ARG A 19 -12.556 -5.512 5.139 1.00 0.00 C ATOM 244 C ARG A 19 -14.038 -5.489 5.501 1.00 0.00 C ATOM 245 O ARG A 19 -14.858 -4.939 4.767 1.00 0.00 O ATOM 246 CB ARG A 19 -12.253 -6.731 4.265 1.00 0.00 C ATOM 247 CG ARG A 19 -10.946 -6.619 3.498 1.00 0.00 C ATOM 248 CD ARG A 19 -10.745 -7.803 2.565 1.00 0.00 C ATOM 249 NE ARG A 19 -11.822 -7.918 1.585 1.00 0.00 N ATOM 250 CZ ARG A 19 -11.788 -8.749 0.550 1.00 0.00 C ATOM 251 NH1 ARG A 19 -10.737 -9.535 0.360 1.00 0.00 N ATOM 252 NH2 ARG A 19 -12.808 -8.795 -0.298 1.00 0.00 N ATOM 0 H ARG A 19 -10.948 -6.187 6.302 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.321 -4.605 4.581 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.220 -7.620 4.895 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.069 -6.872 3.557 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.939 -5.694 2.921 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.114 -6.562 4.200 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.792 -7.697 2.046 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.689 -8.720 3.151 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.645 -7.328 1.702 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.952 -9.502 1.010 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.714 -10.172 -0.436 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.618 -8.192 -0.155 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.782 -9.433 -1.093 1.00 0.00 H new ATOM 266 N ASN A 20 -14.374 -6.091 6.638 1.00 0.00 N ATOM 267 CA ASN A 20 -15.757 -6.140 7.097 1.00 0.00 C ATOM 268 C ASN A 20 -16.261 -4.746 7.457 1.00 0.00 C ATOM 269 O ASN A 20 -17.085 -4.169 6.747 1.00 0.00 O ATOM 270 CB ASN A 20 -15.882 -7.068 8.307 1.00 0.00 C ATOM 271 CG ASN A 20 -15.882 -8.533 7.914 1.00 0.00 C ATOM 272 OD1 ASN A 20 -16.465 -8.916 6.900 1.00 0.00 O ATOM 273 ND2 ASN A 20 -15.224 -9.360 8.718 1.00 0.00 N ATOM 0 H ASN A 20 -13.707 -6.551 7.258 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.370 -6.529 6.284 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.057 -6.879 8.994 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.802 -6.839 8.844 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.188 -10.357 8.505 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.755 -8.998 9.548 1.00 0.00 H new ATOM 280 N ASP A 21 -15.759 -4.209 8.564 1.00 0.00 N ATOM 281 CA ASP A 21 -16.157 -2.882 9.019 1.00 0.00 C ATOM 282 C ASP A 21 -15.817 -1.825 7.973 1.00 0.00 C ATOM 283 O ASP A 21 -16.394 -0.738 7.965 1.00 0.00 O ATOM 284 CB ASP A 21 -15.469 -2.546 10.343 1.00 0.00 C ATOM 285 CG ASP A 21 -16.311 -1.639 11.219 1.00 0.00 C ATOM 286 OD1 ASP A 21 -17.448 -2.028 11.557 1.00 0.00 O ATOM 287 OD2 ASP A 21 -15.831 -0.539 11.566 1.00 0.00 O ATOM 0 H ASP A 21 -15.076 -4.673 9.163 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.237 -2.885 9.170 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.254 -3.469 10.882 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.512 -2.065 10.140 1.00 0.00 H new ATOM 292 N ILE A 22 -14.876 -2.152 7.093 1.00 0.00 N ATOM 293 CA ILE A 22 -14.460 -1.231 6.043 1.00 0.00 C ATOM 294 C ILE A 22 -15.412 -1.287 4.853 1.00 0.00 C ATOM 295 O ILE A 22 -15.685 -0.270 4.216 1.00 0.00 O ATOM 296 CB ILE A 22 -13.031 -1.539 5.557 1.00 0.00 C ATOM 297 CG1 ILE A 22 -12.004 -0.821 6.436 1.00 0.00 C ATOM 298 CG2 ILE A 22 -12.867 -1.132 4.101 1.00 0.00 C ATOM 299 CD1 ILE A 22 -11.988 0.679 6.243 1.00 0.00 C ATOM 0 H ILE A 22 -14.388 -3.048 7.087 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.481 -0.231 6.475 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.860 -2.613 5.635 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -12.215 -1.042 7.482 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.012 -1.218 6.220 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.852 -1.356 3.773 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.578 -1.685 3.486 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.054 -0.063 3.999 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.237 1.122 6.897 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.747 0.910 5.205 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -12.968 1.088 6.487 1.00 0.00 H new ATOM 311 N ALA A 23 -15.916 -2.481 4.561 1.00 0.00 N ATOM 312 CA ALA A 23 -16.841 -2.669 3.451 1.00 0.00 C ATOM 313 C ALA A 23 -18.271 -2.336 3.865 1.00 0.00 C ATOM 314 O ALA A 23 -19.131 -2.093 3.019 1.00 0.00 O ATOM 315 CB ALA A 23 -16.759 -4.097 2.932 1.00 0.00 C ATOM 0 H ALA A 23 -15.699 -3.333 5.078 1.00 0.00 H new ATOM 0 HA ALA A 23 -16.554 -1.986 2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -17.455 -4.223 2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.745 -4.302 2.589 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -17.018 -4.790 3.732 1.00 0.00 H new ATOM 321 N SER A 24 -18.517 -2.327 5.171 1.00 0.00 N ATOM 322 CA SER A 24 -19.844 -2.028 5.697 1.00 0.00 C ATOM 323 C SER A 24 -19.940 -0.568 6.130 1.00 0.00 C ATOM 324 O SER A 24 -20.996 0.055 6.019 1.00 0.00 O ATOM 325 CB SER A 24 -20.165 -2.945 6.879 1.00 0.00 C ATOM 326 OG SER A 24 -21.565 -3.105 7.034 1.00 0.00 O ATOM 0 H SER A 24 -17.815 -2.523 5.884 1.00 0.00 H new ATOM 0 HA SER A 24 -20.571 -2.202 4.904 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.699 -3.918 6.725 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.740 -2.529 7.792 1.00 0.00 H new ATOM 0 HG SER A 24 -21.744 -3.696 7.795 1.00 0.00 H new ATOM 332 N HIS A 25 -18.830 -0.029 6.623 1.00 0.00 N ATOM 333 CA HIS A 25 -18.788 1.358 7.072 1.00 0.00 C ATOM 334 C HIS A 25 -17.580 2.083 6.486 1.00 0.00 C ATOM 335 O HIS A 25 -16.773 2.675 7.202 1.00 0.00 O ATOM 336 CB HIS A 25 -18.742 1.420 8.599 1.00 0.00 C ATOM 337 CG HIS A 25 -20.092 1.333 9.243 1.00 0.00 C ATOM 338 ND1 HIS A 25 -20.757 2.431 9.748 1.00 0.00 N ATOM 339 CD2 HIS A 25 -20.902 0.271 9.461 1.00 0.00 C ATOM 340 CE1 HIS A 25 -21.917 2.047 10.250 1.00 0.00 C ATOM 341 NE2 HIS A 25 -22.030 0.741 10.088 1.00 0.00 N ATOM 0 H HIS A 25 -17.948 -0.531 6.722 1.00 0.00 H new ATOM 0 HA HIS A 25 -19.693 1.855 6.722 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -18.119 0.606 8.969 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -18.263 2.351 8.902 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -20.699 -0.755 9.192 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -22.649 2.692 10.714 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -22.826 0.174 10.381 1.00 0.00 H new ATOM 349 N PRO A 26 -17.452 2.036 5.151 1.00 0.00 N ATOM 350 CA PRO A 26 -16.346 2.682 4.439 1.00 0.00 C ATOM 351 C PRO A 26 -16.126 4.121 4.893 1.00 0.00 C ATOM 352 O PRO A 26 -17.058 4.822 5.289 1.00 0.00 O ATOM 353 CB PRO A 26 -16.796 2.646 2.977 1.00 0.00 C ATOM 354 CG PRO A 26 -17.723 1.483 2.894 1.00 0.00 C ATOM 355 CD PRO A 26 -18.377 1.348 4.235 1.00 0.00 C ATOM 0 HA PRO A 26 -15.396 2.179 4.619 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.296 3.572 2.694 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -15.947 2.524 2.304 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.469 1.639 2.115 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.179 0.574 2.637 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -19.365 1.808 4.246 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.509 0.302 4.512 1.00 0.00 H new ATOM 363 N PRO A 27 -14.865 4.575 4.836 1.00 0.00 N ATOM 364 CA PRO A 27 -14.494 5.935 5.237 1.00 0.00 C ATOM 365 C PRO A 27 -15.022 6.989 4.269 1.00 0.00 C ATOM 366 O PRO A 27 -15.407 6.675 3.142 1.00 0.00 O ATOM 367 CB PRO A 27 -12.964 5.907 5.214 1.00 0.00 C ATOM 368 CG PRO A 27 -12.619 4.828 4.247 1.00 0.00 C ATOM 369 CD PRO A 27 -13.705 3.795 4.374 1.00 0.00 C ATOM 0 HA PRO A 27 -14.914 6.203 6.206 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.555 6.867 4.898 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.557 5.697 6.203 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.568 5.217 3.230 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.643 4.398 4.474 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.905 3.303 3.422 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.436 3.015 5.086 1.00 0.00 H new ATOM 377 N VAL A 28 -15.036 8.241 4.714 1.00 0.00 N ATOM 378 CA VAL A 28 -15.514 9.342 3.887 1.00 0.00 C ATOM 379 C VAL A 28 -14.455 9.772 2.879 1.00 0.00 C ATOM 380 O VAL A 28 -13.341 10.138 3.253 1.00 0.00 O ATOM 381 CB VAL A 28 -15.915 10.557 4.745 1.00 0.00 C ATOM 382 CG1 VAL A 28 -16.382 11.704 3.862 1.00 0.00 C ATOM 383 CG2 VAL A 28 -16.993 10.169 5.746 1.00 0.00 C ATOM 0 H VAL A 28 -14.721 8.518 5.644 1.00 0.00 H new ATOM 0 HA VAL A 28 -16.392 8.979 3.354 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.040 10.893 5.301 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.661 12.553 4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.576 11.997 3.190 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -17.244 11.385 3.277 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.264 11.039 6.344 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -17.872 9.807 5.212 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.616 9.383 6.400 1.00 0.00 H new ATOM 393 N GLU A 29 -14.810 9.727 1.599 1.00 0.00 N ATOM 394 CA GLU A 29 -13.889 10.112 0.536 1.00 0.00 C ATOM 395 C GLU A 29 -13.498 11.582 0.662 1.00 0.00 C ATOM 396 O GLU A 29 -14.332 12.473 0.502 1.00 0.00 O ATOM 397 CB GLU A 29 -14.519 9.856 -0.834 1.00 0.00 C ATOM 398 CG GLU A 29 -15.512 10.925 -1.257 1.00 0.00 C ATOM 399 CD GLU A 29 -16.464 10.444 -2.335 1.00 0.00 C ATOM 400 OE1 GLU A 29 -16.726 9.224 -2.392 1.00 0.00 O ATOM 401 OE2 GLU A 29 -16.947 11.286 -3.120 1.00 0.00 O ATOM 0 H GLU A 29 -15.729 9.428 1.273 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.989 9.504 0.632 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.728 9.790 -1.581 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -15.023 8.890 -0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.086 11.247 -0.388 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.968 11.797 -1.620 1.00 0.00 H new ATOM 408 N GLY A 30 -12.224 11.827 0.950 1.00 0.00 N ATOM 409 CA GLY A 30 -11.744 13.190 1.093 1.00 0.00 C ATOM 410 C GLY A 30 -11.875 13.705 2.512 1.00 0.00 C ATOM 411 O GLY A 30 -12.163 14.882 2.729 1.00 0.00 O ATOM 0 H GLY A 30 -11.515 11.107 1.087 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.699 13.238 0.788 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.303 13.841 0.421 1.00 0.00 H new ATOM 415 N SER A 31 -11.665 12.820 3.482 1.00 0.00 N ATOM 416 CA SER A 31 -11.767 13.191 4.889 1.00 0.00 C ATOM 417 C SER A 31 -10.407 13.099 5.575 1.00 0.00 C ATOM 418 O SER A 31 -9.936 14.065 6.177 1.00 0.00 O ATOM 419 CB SER A 31 -12.773 12.288 5.605 1.00 0.00 C ATOM 420 OG SER A 31 -12.838 12.591 6.987 1.00 0.00 O ATOM 0 H SER A 31 -11.424 11.842 3.320 1.00 0.00 H new ATOM 0 HA SER A 31 -12.113 14.223 4.943 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.759 12.410 5.156 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.489 11.244 5.472 1.00 0.00 H new ATOM 0 HG SER A 31 -13.489 12.001 7.421 1.00 0.00 H new ATOM 426 N TYR A 32 -9.781 11.931 5.479 1.00 0.00 N ATOM 427 CA TYR A 32 -8.476 11.711 6.091 1.00 0.00 C ATOM 428 C TYR A 32 -7.376 12.405 5.294 1.00 0.00 C ATOM 429 O TYR A 32 -7.257 12.214 4.084 1.00 0.00 O ATOM 430 CB TYR A 32 -8.183 10.213 6.191 1.00 0.00 C ATOM 431 CG TYR A 32 -6.713 9.893 6.342 1.00 0.00 C ATOM 432 CD1 TYR A 32 -5.857 9.931 5.247 1.00 0.00 C ATOM 433 CD2 TYR A 32 -6.179 9.554 7.579 1.00 0.00 C ATOM 434 CE1 TYR A 32 -4.514 9.638 5.381 1.00 0.00 C ATOM 435 CE2 TYR A 32 -4.836 9.262 7.722 1.00 0.00 C ATOM 436 CZ TYR A 32 -4.008 9.304 6.620 1.00 0.00 C ATOM 437 OH TYR A 32 -2.670 9.014 6.757 1.00 0.00 O ATOM 0 H TYR A 32 -10.156 11.122 4.983 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.496 12.138 7.094 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.725 9.801 7.042 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.565 9.716 5.299 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.249 10.194 4.276 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.825 9.518 8.444 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.863 9.670 4.520 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.437 9.002 8.691 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.399 8.381 6.059 1.00 0.00 H new ATOM 447 N ALA A 33 -6.574 13.210 5.982 1.00 0.00 N ATOM 448 CA ALA A 33 -5.481 13.931 5.341 1.00 0.00 C ATOM 449 C ALA A 33 -4.175 13.150 5.441 1.00 0.00 C ATOM 450 O ALA A 33 -3.600 12.992 6.518 1.00 0.00 O ATOM 451 CB ALA A 33 -5.323 15.311 5.961 1.00 0.00 C ATOM 0 H ALA A 33 -6.660 13.380 6.984 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.725 14.046 4.285 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.503 15.838 5.472 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.246 15.876 5.831 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.106 15.209 7.024 1.00 0.00 H new ATOM 457 N PRO A 34 -3.694 12.649 4.294 1.00 0.00 N ATOM 458 CA PRO A 34 -2.450 11.876 4.227 1.00 0.00 C ATOM 459 C PRO A 34 -1.218 12.738 4.481 1.00 0.00 C ATOM 460 O PRO A 34 -1.026 13.768 3.835 1.00 0.00 O ATOM 461 CB PRO A 34 -2.442 11.341 2.793 1.00 0.00 C ATOM 462 CG PRO A 34 -3.270 12.310 2.022 1.00 0.00 C ATOM 463 CD PRO A 34 -4.327 12.799 2.973 1.00 0.00 C ATOM 0 HA PRO A 34 -2.413 11.096 4.988 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.428 11.284 2.397 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.860 10.336 2.743 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.662 13.137 1.655 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.719 11.833 1.151 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.599 13.835 2.773 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.241 12.209 2.896 1.00 0.00 H new ATOM 471 N ARG A 35 -0.387 12.310 5.425 1.00 0.00 N ATOM 472 CA ARG A 35 0.827 13.043 5.765 1.00 0.00 C ATOM 473 C ARG A 35 2.067 12.193 5.504 1.00 0.00 C ATOM 474 O ARG A 35 2.036 10.972 5.653 1.00 0.00 O ATOM 475 CB ARG A 35 0.792 13.478 7.231 1.00 0.00 C ATOM 476 CG ARG A 35 -0.410 14.338 7.584 1.00 0.00 C ATOM 477 CD ARG A 35 -0.184 15.793 7.203 1.00 0.00 C ATOM 478 NE ARG A 35 -0.444 16.035 5.786 1.00 0.00 N ATOM 479 CZ ARG A 35 -0.492 17.246 5.244 1.00 0.00 C ATOM 480 NH1 ARG A 35 -0.300 18.321 5.996 1.00 0.00 N ATOM 481 NH2 ARG A 35 -0.734 17.385 3.947 1.00 0.00 N ATOM 0 H ARG A 35 -0.532 11.459 5.968 1.00 0.00 H new ATOM 0 HA ARG A 35 0.876 13.929 5.132 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.791 12.591 7.864 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.703 14.031 7.459 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.294 13.959 7.070 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.608 14.267 8.653 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.833 16.430 7.804 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.843 16.073 7.436 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.597 15.229 5.180 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.115 18.219 6.994 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.337 19.250 5.577 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.883 16.561 3.365 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.771 18.316 3.532 1.00 0.00 H new ATOM 495 N ARG A 36 3.155 12.848 5.114 1.00 0.00 N ATOM 496 CA ARG A 36 4.405 12.153 4.831 1.00 0.00 C ATOM 497 C ARG A 36 4.897 11.396 6.061 1.00 0.00 C ATOM 498 O ARG A 36 5.322 11.999 7.045 1.00 0.00 O ATOM 499 CB ARG A 36 5.473 13.146 4.369 1.00 0.00 C ATOM 500 CG ARG A 36 6.820 12.503 4.081 1.00 0.00 C ATOM 501 CD ARG A 36 7.597 13.283 3.033 1.00 0.00 C ATOM 502 NE ARG A 36 8.436 14.318 3.631 1.00 0.00 N ATOM 503 CZ ARG A 36 9.641 14.084 4.139 1.00 0.00 C ATOM 504 NH1 ARG A 36 10.145 12.858 4.121 1.00 0.00 N ATOM 505 NH2 ARG A 36 10.344 15.079 4.666 1.00 0.00 N ATOM 0 H ARG A 36 3.196 13.859 4.987 1.00 0.00 H new ATOM 0 HA ARG A 36 4.219 11.434 4.033 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.122 13.652 3.470 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.601 13.911 5.135 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.402 12.448 5.001 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.670 11.480 3.737 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.221 12.597 2.460 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.900 13.742 2.332 1.00 0.00 H new ATOM 0 HE ARG A 36 8.077 15.272 3.660 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.607 12.091 3.716 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.070 12.681 4.512 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.959 16.023 4.681 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.269 14.899 5.056 1.00 0.00 H new ATOM 519 N GLY A 37 4.835 10.069 5.997 1.00 0.00 N ATOM 520 CA GLY A 37 5.277 9.251 7.112 1.00 0.00 C ATOM 521 C GLY A 37 4.140 8.879 8.044 1.00 0.00 C ATOM 522 O GLY A 37 4.328 8.791 9.257 1.00 0.00 O ATOM 0 H GLY A 37 4.487 9.546 5.193 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.742 8.342 6.730 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.041 9.789 7.673 1.00 0.00 H new ATOM 526 N GLU A 38 2.958 8.662 7.476 1.00 0.00 N ATOM 527 CA GLU A 38 1.787 8.300 8.265 1.00 0.00 C ATOM 528 C GLU A 38 1.109 7.058 7.695 1.00 0.00 C ATOM 529 O GLU A 38 1.050 6.872 6.480 1.00 0.00 O ATOM 530 CB GLU A 38 0.794 9.463 8.307 1.00 0.00 C ATOM 531 CG GLU A 38 1.019 10.415 9.471 1.00 0.00 C ATOM 532 CD GLU A 38 0.682 9.789 10.810 1.00 0.00 C ATOM 533 OE1 GLU A 38 -0.515 9.748 11.162 1.00 0.00 O ATOM 534 OE2 GLU A 38 1.617 9.339 11.506 1.00 0.00 O ATOM 0 H GLU A 38 2.786 8.731 6.473 1.00 0.00 H new ATOM 0 HA GLU A 38 2.119 8.078 9.279 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.862 10.022 7.374 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.218 9.063 8.366 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.060 10.737 9.476 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.410 11.308 9.328 1.00 0.00 H new ATOM 541 N PHE A 39 0.599 6.210 8.582 1.00 0.00 N ATOM 542 CA PHE A 39 -0.074 4.984 8.168 1.00 0.00 C ATOM 543 C PHE A 39 -1.548 5.245 7.874 1.00 0.00 C ATOM 544 O PHE A 39 -2.184 6.076 8.525 1.00 0.00 O ATOM 545 CB PHE A 39 0.060 3.913 9.252 1.00 0.00 C ATOM 546 CG PHE A 39 1.403 3.242 9.270 1.00 0.00 C ATOM 547 CD1 PHE A 39 1.760 2.350 8.272 1.00 0.00 C ATOM 548 CD2 PHE A 39 2.310 3.505 10.284 1.00 0.00 C ATOM 549 CE1 PHE A 39 2.996 1.731 8.287 1.00 0.00 C ATOM 550 CE2 PHE A 39 3.548 2.890 10.304 1.00 0.00 C ATOM 551 CZ PHE A 39 3.891 2.002 9.303 1.00 0.00 C ATOM 0 H PHE A 39 0.639 6.349 9.592 1.00 0.00 H new ATOM 0 HA PHE A 39 0.403 4.628 7.255 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.123 4.368 10.225 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.712 3.158 9.103 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.065 2.136 7.473 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.047 4.199 11.068 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.262 1.036 7.504 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.245 3.103 11.101 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.858 1.520 9.315 1.00 0.00 H new ATOM 561 N CYS A 40 -2.085 4.532 6.891 1.00 0.00 N ATOM 562 CA CYS A 40 -3.484 4.687 6.509 1.00 0.00 C ATOM 563 C CYS A 40 -3.904 3.598 5.527 1.00 0.00 C ATOM 564 O CYS A 40 -3.066 2.854 5.015 1.00 0.00 O ATOM 565 CB CYS A 40 -3.716 6.066 5.890 1.00 0.00 C ATOM 566 SG CYS A 40 -2.611 6.451 4.511 1.00 0.00 S ATOM 0 H CYS A 40 -1.573 3.840 6.344 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.093 4.594 7.409 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.748 6.128 5.543 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.593 6.825 6.663 1.00 0.00 H new ATOM 0 HG CYS A 40 -3.017 7.535 3.919 1.00 0.00 H new ATOM 572 N ILE A 41 -5.204 3.509 5.271 1.00 0.00 N ATOM 573 CA ILE A 41 -5.734 2.510 4.351 1.00 0.00 C ATOM 574 C ILE A 41 -5.986 3.111 2.972 1.00 0.00 C ATOM 575 O ILE A 41 -6.510 4.219 2.853 1.00 0.00 O ATOM 576 CB ILE A 41 -7.045 1.898 4.879 1.00 0.00 C ATOM 577 CG1 ILE A 41 -8.100 2.988 5.076 1.00 0.00 C ATOM 578 CG2 ILE A 41 -6.795 1.153 6.181 1.00 0.00 C ATOM 579 CD1 ILE A 41 -9.488 2.446 5.336 1.00 0.00 C ATOM 0 H ILE A 41 -5.910 4.116 5.687 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.982 1.725 4.271 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.419 1.187 4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.804 3.622 5.912 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.126 3.621 4.189 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.731 0.726 6.541 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.074 0.354 6.010 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.401 1.844 6.926 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.184 3.275 5.466 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.805 1.836 4.490 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.477 1.836 6.240 1.00 0.00 H new ATOM 591 N ALA A 42 -5.612 2.373 1.933 1.00 0.00 N ATOM 592 CA ALA A 42 -5.801 2.831 0.562 1.00 0.00 C ATOM 593 C ALA A 42 -6.730 1.897 -0.206 1.00 0.00 C ATOM 594 O ALA A 42 -6.675 0.678 -0.044 1.00 0.00 O ATOM 595 CB ALA A 42 -4.459 2.943 -0.147 1.00 0.00 C ATOM 0 H ALA A 42 -5.176 1.455 2.014 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.266 3.816 0.596 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.615 3.286 -1.170 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.826 3.656 0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.973 1.968 -0.162 1.00 0.00 H new ATOM 601 N LYS A 43 -7.585 2.477 -1.041 1.00 0.00 N ATOM 602 CA LYS A 43 -8.528 1.697 -1.836 1.00 0.00 C ATOM 603 C LYS A 43 -7.884 1.227 -3.136 1.00 0.00 C ATOM 604 O LYS A 43 -7.376 2.033 -3.916 1.00 0.00 O ATOM 605 CB LYS A 43 -9.776 2.527 -2.143 1.00 0.00 C ATOM 606 CG LYS A 43 -11.032 1.692 -2.326 1.00 0.00 C ATOM 607 CD LYS A 43 -12.288 2.525 -2.140 1.00 0.00 C ATOM 608 CE LYS A 43 -13.484 1.658 -1.776 1.00 0.00 C ATOM 609 NZ LYS A 43 -14.181 1.139 -2.985 1.00 0.00 N ATOM 0 H LYS A 43 -7.645 3.485 -1.185 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.816 0.820 -1.256 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.937 3.238 -1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.602 3.109 -3.048 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.033 1.248 -3.322 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.031 0.870 -1.611 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.122 3.265 -1.357 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.501 3.074 -3.057 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.152 0.822 -1.161 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.184 2.238 -1.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.171 1.458 -2.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.707 1.496 -3.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.152 0.099 -2.983 1.00 0.00 H new ATOM 623 N PHE A 44 -7.911 -0.081 -3.365 1.00 0.00 N ATOM 624 CA PHE A 44 -7.331 -0.659 -4.572 1.00 0.00 C ATOM 625 C PHE A 44 -8.338 -0.650 -5.718 1.00 0.00 C ATOM 626 O PHE A 44 -9.549 -0.623 -5.495 1.00 0.00 O ATOM 627 CB PHE A 44 -6.860 -2.089 -4.303 1.00 0.00 C ATOM 628 CG PHE A 44 -5.872 -2.595 -5.316 1.00 0.00 C ATOM 629 CD1 PHE A 44 -4.710 -1.889 -5.583 1.00 0.00 C ATOM 630 CD2 PHE A 44 -6.105 -3.778 -6.000 1.00 0.00 C ATOM 631 CE1 PHE A 44 -3.801 -2.352 -6.515 1.00 0.00 C ATOM 632 CE2 PHE A 44 -5.199 -4.246 -6.932 1.00 0.00 C ATOM 633 CZ PHE A 44 -4.045 -3.533 -7.189 1.00 0.00 C ATOM 0 H PHE A 44 -8.329 -0.762 -2.730 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.474 -0.050 -4.860 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.408 -2.134 -3.312 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -7.725 -2.752 -4.289 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.513 -0.967 -5.057 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.005 -4.340 -5.802 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.900 -1.791 -6.716 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.393 -5.169 -7.459 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.334 -3.898 -7.916 1.00 0.00 H new ATOM 643 N VAL A 45 -7.830 -0.672 -6.946 1.00 0.00 N ATOM 644 CA VAL A 45 -8.684 -0.667 -8.127 1.00 0.00 C ATOM 645 C VAL A 45 -9.845 -1.642 -7.970 1.00 0.00 C ATOM 646 O VAL A 45 -10.894 -1.480 -8.594 1.00 0.00 O ATOM 647 CB VAL A 45 -7.890 -1.032 -9.395 1.00 0.00 C ATOM 648 CG1 VAL A 45 -6.720 -0.079 -9.586 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.407 -2.473 -9.325 1.00 0.00 C ATOM 0 H VAL A 45 -6.831 -0.693 -7.149 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.075 0.345 -8.230 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.551 -0.935 -10.256 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.171 -0.353 -10.487 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.093 0.940 -9.684 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.056 -0.141 -8.724 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.848 -2.714 -10.229 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.762 -2.599 -8.455 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.265 -3.140 -9.240 1.00 0.00 H new ATOM 659 N ASP A 46 -9.651 -2.654 -7.132 1.00 0.00 N ATOM 660 CA ASP A 46 -10.684 -3.655 -6.890 1.00 0.00 C ATOM 661 C ASP A 46 -11.547 -3.268 -5.694 1.00 0.00 C ATOM 662 O ASP A 46 -12.113 -4.127 -5.019 1.00 0.00 O ATOM 663 CB ASP A 46 -10.049 -5.026 -6.654 1.00 0.00 C ATOM 664 CG ASP A 46 -11.049 -6.158 -6.786 1.00 0.00 C ATOM 665 OD1 ASP A 46 -11.673 -6.520 -5.767 1.00 0.00 O ATOM 666 OD2 ASP A 46 -11.207 -6.682 -7.909 1.00 0.00 O ATOM 0 H ASP A 46 -8.788 -2.803 -6.609 1.00 0.00 H new ATOM 0 HA ASP A 46 -11.321 -3.705 -7.773 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.239 -5.176 -7.368 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.605 -5.051 -5.659 1.00 0.00 H new ATOM 671 N GLY A 47 -11.643 -1.967 -5.436 1.00 0.00 N ATOM 672 CA GLY A 47 -12.438 -1.488 -4.320 1.00 0.00 C ATOM 673 C GLY A 47 -12.085 -2.179 -3.018 1.00 0.00 C ATOM 674 O GLY A 47 -12.906 -2.253 -2.105 1.00 0.00 O ATOM 0 H GLY A 47 -11.184 -1.236 -5.980 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.292 -0.414 -4.209 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.495 -1.645 -4.537 1.00 0.00 H new ATOM 678 N GLU A 48 -10.859 -2.687 -2.933 1.00 0.00 N ATOM 679 CA GLU A 48 -10.401 -3.377 -1.733 1.00 0.00 C ATOM 680 C GLU A 48 -9.439 -2.501 -0.935 1.00 0.00 C ATOM 681 O GLU A 48 -8.428 -2.033 -1.460 1.00 0.00 O ATOM 682 CB GLU A 48 -9.718 -4.695 -2.105 1.00 0.00 C ATOM 683 CG GLU A 48 -10.682 -5.762 -2.594 1.00 0.00 C ATOM 684 CD GLU A 48 -11.699 -6.157 -1.541 1.00 0.00 C ATOM 685 OE1 GLU A 48 -11.316 -6.268 -0.358 1.00 0.00 O ATOM 686 OE2 GLU A 48 -12.879 -6.353 -1.901 1.00 0.00 O ATOM 0 H GLU A 48 -10.166 -2.634 -3.680 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.272 -3.589 -1.113 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.976 -4.504 -2.881 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.180 -5.074 -1.236 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.204 -5.397 -3.479 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.118 -6.644 -2.898 1.00 0.00 H new ATOM 693 N TRP A 49 -9.761 -2.283 0.335 1.00 0.00 N ATOM 694 CA TRP A 49 -8.926 -1.463 1.205 1.00 0.00 C ATOM 695 C TRP A 49 -7.713 -2.247 1.692 1.00 0.00 C ATOM 696 O TRP A 49 -7.820 -3.425 2.035 1.00 0.00 O ATOM 697 CB TRP A 49 -9.739 -0.962 2.400 1.00 0.00 C ATOM 698 CG TRP A 49 -10.739 0.094 2.038 1.00 0.00 C ATOM 699 CD1 TRP A 49 -12.044 -0.100 1.685 1.00 0.00 C ATOM 700 CD2 TRP A 49 -10.514 1.507 1.990 1.00 0.00 C ATOM 701 NE1 TRP A 49 -12.644 1.108 1.421 1.00 0.00 N ATOM 702 CE2 TRP A 49 -11.727 2.109 1.602 1.00 0.00 C ATOM 703 CE3 TRP A 49 -9.407 2.323 2.240 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -11.861 3.488 1.458 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -9.542 3.691 2.096 1.00 0.00 C ATOM 706 CH2 TRP A 49 -10.761 4.262 1.709 1.00 0.00 C ATOM 0 H TRP A 49 -10.594 -2.662 0.785 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.574 -0.607 0.629 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.260 -1.805 2.855 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -9.058 -0.564 3.153 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.533 -1.061 1.623 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.615 1.238 1.136 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.463 1.892 2.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.800 3.930 1.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.693 4.331 2.285 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.834 5.335 1.607 1.00 0.00 H new ATOM 717 N TYR A 50 -6.560 -1.587 1.721 1.00 0.00 N ATOM 718 CA TYR A 50 -5.326 -2.224 2.165 1.00 0.00 C ATOM 719 C TYR A 50 -4.458 -1.243 2.948 1.00 0.00 C ATOM 720 O TYR A 50 -4.492 -0.037 2.705 1.00 0.00 O ATOM 721 CB TYR A 50 -4.547 -2.766 0.965 1.00 0.00 C ATOM 722 CG TYR A 50 -5.266 -3.873 0.227 1.00 0.00 C ATOM 723 CD1 TYR A 50 -5.419 -5.131 0.797 1.00 0.00 C ATOM 724 CD2 TYR A 50 -5.794 -3.660 -1.041 1.00 0.00 C ATOM 725 CE1 TYR A 50 -6.074 -6.145 0.126 1.00 0.00 C ATOM 726 CE2 TYR A 50 -6.452 -4.668 -1.719 1.00 0.00 C ATOM 727 CZ TYR A 50 -6.589 -5.908 -1.132 1.00 0.00 C ATOM 728 OH TYR A 50 -7.243 -6.915 -1.803 1.00 0.00 O ATOM 0 H TYR A 50 -6.455 -0.611 1.442 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.590 -3.052 2.822 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.348 -1.948 0.272 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.581 -3.137 1.307 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.019 -5.319 1.782 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.688 -2.690 -1.504 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.182 -7.117 0.583 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.857 -4.486 -2.703 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.546 -6.585 -2.675 1.00 0.00 H new ATOM 738 N ARG A 51 -3.681 -1.771 3.888 1.00 0.00 N ATOM 739 CA ARG A 51 -2.804 -0.944 4.707 1.00 0.00 C ATOM 740 C ARG A 51 -1.643 -0.399 3.881 1.00 0.00 C ATOM 741 O ARG A 51 -1.058 -1.113 3.067 1.00 0.00 O ATOM 742 CB ARG A 51 -2.267 -1.750 5.892 1.00 0.00 C ATOM 743 CG ARG A 51 -3.196 -1.756 7.095 1.00 0.00 C ATOM 744 CD ARG A 51 -2.424 -1.931 8.394 1.00 0.00 C ATOM 745 NE ARG A 51 -2.279 -3.338 8.758 1.00 0.00 N ATOM 746 CZ ARG A 51 -1.300 -4.116 8.310 1.00 0.00 C ATOM 747 NH1 ARG A 51 -0.384 -3.626 7.485 1.00 0.00 N ATOM 748 NH2 ARG A 51 -1.235 -5.386 8.687 1.00 0.00 N ATOM 0 H ARG A 51 -3.641 -2.768 4.101 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.386 -0.103 5.083 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.093 -2.778 5.573 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.302 -1.341 6.191 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.758 -0.822 7.127 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.923 -2.562 6.991 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.437 -1.479 8.293 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.938 -1.400 9.196 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.967 -3.746 9.391 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.430 -2.650 7.193 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.367 -4.226 7.142 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.937 -5.766 9.322 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.483 -5.982 8.342 1.00 0.00 H new ATOM 762 N ALA A 52 -1.314 0.871 4.098 1.00 0.00 N ATOM 763 CA ALA A 52 -0.222 1.511 3.375 1.00 0.00 C ATOM 764 C ALA A 52 0.286 2.739 4.123 1.00 0.00 C ATOM 765 O ALA A 52 -0.478 3.420 4.807 1.00 0.00 O ATOM 766 CB ALA A 52 -0.670 1.893 1.972 1.00 0.00 C ATOM 0 H ALA A 52 -1.788 1.476 4.768 1.00 0.00 H new ATOM 0 HA ALA A 52 0.599 0.798 3.301 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.156 2.370 1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.978 0.998 1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.509 2.586 2.034 1.00 0.00 H new ATOM 772 N ARG A 53 1.579 3.015 3.988 1.00 0.00 N ATOM 773 CA ARG A 53 2.189 4.160 4.653 1.00 0.00 C ATOM 774 C ARG A 53 2.537 5.252 3.645 1.00 0.00 C ATOM 775 O ARG A 53 3.238 5.005 2.664 1.00 0.00 O ATOM 776 CB ARG A 53 3.447 3.728 5.408 1.00 0.00 C ATOM 777 CG ARG A 53 4.107 4.854 6.187 1.00 0.00 C ATOM 778 CD ARG A 53 5.199 4.331 7.107 1.00 0.00 C ATOM 779 NE ARG A 53 5.791 5.394 7.914 1.00 0.00 N ATOM 780 CZ ARG A 53 6.550 5.170 8.980 1.00 0.00 C ATOM 781 NH1 ARG A 53 6.809 3.928 9.366 1.00 0.00 N ATOM 782 NH2 ARG A 53 7.054 6.190 9.664 1.00 0.00 N ATOM 0 H ARG A 53 2.224 2.461 3.424 1.00 0.00 H new ATOM 0 HA ARG A 53 1.467 4.562 5.364 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.189 2.924 6.097 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.165 3.320 4.697 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.532 5.578 5.492 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.355 5.380 6.775 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.784 3.566 7.763 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.976 3.853 6.511 1.00 0.00 H new ATOM 0 HE ARG A 53 5.612 6.361 7.644 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.425 3.141 8.843 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.393 3.760 10.185 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.858 7.147 9.371 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.637 6.017 10.483 1.00 0.00 H new ATOM 796 N VAL A 54 2.043 6.460 3.895 1.00 0.00 N ATOM 797 CA VAL A 54 2.302 7.590 3.010 1.00 0.00 C ATOM 798 C VAL A 54 3.797 7.777 2.782 1.00 0.00 C ATOM 799 O VAL A 54 4.561 7.963 3.728 1.00 0.00 O ATOM 800 CB VAL A 54 1.713 8.895 3.579 1.00 0.00 C ATOM 801 CG1 VAL A 54 2.050 10.071 2.675 1.00 0.00 C ATOM 802 CG2 VAL A 54 0.209 8.765 3.761 1.00 0.00 C ATOM 0 H VAL A 54 1.461 6.682 4.703 1.00 0.00 H new ATOM 0 HA VAL A 54 1.818 7.366 2.060 1.00 0.00 H new ATOM 0 HB VAL A 54 2.159 9.080 4.556 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.626 10.984 3.093 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.133 10.174 2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.633 9.898 1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.191 9.696 4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.257 8.556 2.798 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.005 7.949 4.452 1.00 0.00 H new ATOM 812 N GLU A 55 4.208 7.727 1.518 1.00 0.00 N ATOM 813 CA GLU A 55 5.614 7.891 1.166 1.00 0.00 C ATOM 814 C GLU A 55 5.903 9.327 0.736 1.00 0.00 C ATOM 815 O GLU A 55 6.935 9.897 1.090 1.00 0.00 O ATOM 816 CB GLU A 55 5.997 6.924 0.044 1.00 0.00 C ATOM 817 CG GLU A 55 5.918 5.461 0.447 1.00 0.00 C ATOM 818 CD GLU A 55 6.563 4.540 -0.569 1.00 0.00 C ATOM 819 OE1 GLU A 55 6.117 4.537 -1.735 1.00 0.00 O ATOM 820 OE2 GLU A 55 7.516 3.822 -0.198 1.00 0.00 O ATOM 0 H GLU A 55 3.588 7.575 0.722 1.00 0.00 H new ATOM 0 HA GLU A 55 6.212 7.667 2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.340 7.093 -0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.012 7.147 -0.286 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.405 5.328 1.413 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.873 5.179 0.575 1.00 0.00 H new ATOM 827 N LYS A 56 4.985 9.905 -0.030 1.00 0.00 N ATOM 828 CA LYS A 56 5.139 11.273 -0.509 1.00 0.00 C ATOM 829 C LYS A 56 3.788 11.872 -0.888 1.00 0.00 C ATOM 830 O LYS A 56 3.148 11.431 -1.843 1.00 0.00 O ATOM 831 CB LYS A 56 6.081 11.311 -1.714 1.00 0.00 C ATOM 832 CG LYS A 56 5.767 12.426 -2.697 1.00 0.00 C ATOM 833 CD LYS A 56 6.890 12.614 -3.704 1.00 0.00 C ATOM 834 CE LYS A 56 6.390 13.271 -4.981 1.00 0.00 C ATOM 835 NZ LYS A 56 7.292 13.001 -6.134 1.00 0.00 N ATOM 0 H LYS A 56 4.125 9.447 -0.333 1.00 0.00 H new ATOM 0 HA LYS A 56 5.567 11.867 0.298 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.105 11.428 -1.360 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.031 10.355 -2.234 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.840 12.198 -3.223 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.605 13.357 -2.153 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.677 13.226 -3.263 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.333 11.647 -3.941 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.389 12.905 -5.210 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.309 14.347 -4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.916 13.466 -6.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.241 13.373 -5.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.350 11.975 -6.297 1.00 0.00 H new ATOM 849 N VAL A 57 3.360 12.880 -0.135 1.00 0.00 N ATOM 850 CA VAL A 57 2.087 13.541 -0.393 1.00 0.00 C ATOM 851 C VAL A 57 2.265 14.728 -1.333 1.00 0.00 C ATOM 852 O VAL A 57 2.794 15.768 -0.942 1.00 0.00 O ATOM 853 CB VAL A 57 1.432 14.029 0.913 1.00 0.00 C ATOM 854 CG1 VAL A 57 0.021 14.532 0.647 1.00 0.00 C ATOM 855 CG2 VAL A 57 1.423 12.917 1.951 1.00 0.00 C ATOM 0 H VAL A 57 3.877 13.257 0.659 1.00 0.00 H new ATOM 0 HA VAL A 57 1.437 12.803 -0.863 1.00 0.00 H new ATOM 0 HB VAL A 57 2.020 14.858 1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.426 14.873 1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.057 15.360 -0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.581 13.724 0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.957 13.279 2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.859 12.066 1.568 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.447 12.608 2.162 1.00 0.00 H new ATOM 865 N GLU A 58 1.818 14.565 -2.575 1.00 0.00 N ATOM 866 CA GLU A 58 1.929 15.624 -3.571 1.00 0.00 C ATOM 867 C GLU A 58 0.748 16.587 -3.475 1.00 0.00 C ATOM 868 O GLU A 58 0.919 17.766 -3.165 1.00 0.00 O ATOM 869 CB GLU A 58 2.000 15.026 -4.978 1.00 0.00 C ATOM 870 CG GLU A 58 3.402 14.610 -5.391 1.00 0.00 C ATOM 871 CD GLU A 58 4.287 15.795 -5.729 1.00 0.00 C ATOM 872 OE1 GLU A 58 4.161 16.327 -6.851 1.00 0.00 O ATOM 873 OE2 GLU A 58 5.104 16.189 -4.871 1.00 0.00 O ATOM 0 H GLU A 58 1.376 13.711 -2.915 1.00 0.00 H new ATOM 0 HA GLU A 58 2.846 16.179 -3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.343 14.158 -5.029 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.621 15.755 -5.694 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.860 14.038 -4.584 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.341 13.949 -6.255 1.00 0.00 H new ATOM 880 N SER A 59 -0.448 16.075 -3.745 1.00 0.00 N ATOM 881 CA SER A 59 -1.657 16.889 -3.694 1.00 0.00 C ATOM 882 C SER A 59 -2.871 16.037 -3.335 1.00 0.00 C ATOM 883 O SER A 59 -2.855 14.811 -3.444 1.00 0.00 O ATOM 884 CB SER A 59 -1.886 17.584 -5.037 1.00 0.00 C ATOM 885 OG SER A 59 -0.659 17.829 -5.701 1.00 0.00 O ATOM 0 H SER A 59 -0.606 15.100 -4.001 1.00 0.00 H new ATOM 0 HA SER A 59 -1.524 17.645 -2.920 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.526 16.965 -5.666 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.411 18.526 -4.878 1.00 0.00 H new ATOM 0 HG SER A 59 -0.833 18.272 -6.557 1.00 0.00 H new ATOM 891 N PRO A 60 -3.951 16.702 -2.897 1.00 0.00 N ATOM 892 CA PRO A 60 -5.194 16.027 -2.514 1.00 0.00 C ATOM 893 C PRO A 60 -5.645 15.008 -3.555 1.00 0.00 C ATOM 894 O PRO A 60 -6.471 14.141 -3.271 1.00 0.00 O ATOM 895 CB PRO A 60 -6.204 17.173 -2.414 1.00 0.00 C ATOM 896 CG PRO A 60 -5.381 18.377 -2.109 1.00 0.00 C ATOM 897 CD PRO A 60 -4.040 18.163 -2.742 1.00 0.00 C ATOM 0 HA PRO A 60 -5.081 15.459 -1.591 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.756 17.296 -3.346 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.938 16.986 -1.630 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.854 19.277 -2.502 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.282 18.514 -1.032 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.966 18.672 -3.703 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.236 18.548 -2.115 1.00 0.00 H new ATOM 905 N ALA A 61 -5.098 15.119 -4.761 1.00 0.00 N ATOM 906 CA ALA A 61 -5.443 14.206 -5.843 1.00 0.00 C ATOM 907 C ALA A 61 -4.333 13.187 -6.076 1.00 0.00 C ATOM 908 O ALA A 61 -4.568 12.114 -6.633 1.00 0.00 O ATOM 909 CB ALA A 61 -5.725 14.984 -7.120 1.00 0.00 C ATOM 0 H ALA A 61 -4.414 15.832 -5.013 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.343 13.664 -5.555 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.981 14.290 -7.920 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.557 15.668 -6.953 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.839 15.552 -7.403 1.00 0.00 H new ATOM 915 N LYS A 62 -3.123 13.528 -5.648 1.00 0.00 N ATOM 916 CA LYS A 62 -1.976 12.643 -5.808 1.00 0.00 C ATOM 917 C LYS A 62 -1.273 12.415 -4.474 1.00 0.00 C ATOM 918 O LYS A 62 -0.709 13.342 -3.892 1.00 0.00 O ATOM 919 CB LYS A 62 -0.990 13.231 -6.821 1.00 0.00 C ATOM 920 CG LYS A 62 -1.513 13.235 -8.247 1.00 0.00 C ATOM 921 CD LYS A 62 -0.385 13.097 -9.255 1.00 0.00 C ATOM 922 CE LYS A 62 -0.854 12.403 -10.525 1.00 0.00 C ATOM 923 NZ LYS A 62 -1.590 11.143 -10.229 1.00 0.00 N ATOM 0 H LYS A 62 -2.911 14.413 -5.187 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.339 11.683 -6.176 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.748 14.253 -6.529 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.062 12.661 -6.785 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.221 12.417 -8.378 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.057 14.161 -8.433 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.007 14.084 -9.502 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.434 12.531 -8.811 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.499 13.076 -11.090 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.006 12.181 -11.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.346 10.424 -10.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.325 10.800 -9.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.614 11.324 -10.257 1.00 0.00 H new ATOM 937 N ILE A 63 -1.311 11.176 -3.995 1.00 0.00 N ATOM 938 CA ILE A 63 -0.676 10.826 -2.731 1.00 0.00 C ATOM 939 C ILE A 63 0.132 9.539 -2.859 1.00 0.00 C ATOM 940 O ILE A 63 -0.430 8.451 -2.991 1.00 0.00 O ATOM 941 CB ILE A 63 -1.715 10.656 -1.607 1.00 0.00 C ATOM 942 CG1 ILE A 63 -2.801 11.729 -1.720 1.00 0.00 C ATOM 943 CG2 ILE A 63 -1.039 10.721 -0.246 1.00 0.00 C ATOM 944 CD1 ILE A 63 -2.357 13.091 -1.234 1.00 0.00 C ATOM 0 H ILE A 63 -1.775 10.398 -4.464 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.007 11.648 -2.476 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.184 9.678 -1.711 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.115 11.808 -2.761 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.673 11.414 -1.147 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.787 10.599 0.538 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.299 9.924 -0.169 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.546 11.686 -0.130 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.176 13.801 -1.344 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.070 13.027 -0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.504 13.427 -1.823 1.00 0.00 H new ATOM 956 N HIS A 64 1.454 9.670 -2.817 1.00 0.00 N ATOM 957 CA HIS A 64 2.341 8.517 -2.926 1.00 0.00 C ATOM 958 C HIS A 64 2.291 7.672 -1.657 1.00 0.00 C ATOM 959 O HIS A 64 2.542 8.167 -0.558 1.00 0.00 O ATOM 960 CB HIS A 64 3.775 8.973 -3.193 1.00 0.00 C ATOM 961 CG HIS A 64 3.912 9.841 -4.406 1.00 0.00 C ATOM 962 ND1 HIS A 64 4.726 9.521 -5.472 1.00 0.00 N ATOM 963 CD2 HIS A 64 3.331 11.023 -4.719 1.00 0.00 C ATOM 964 CE1 HIS A 64 4.641 10.470 -6.388 1.00 0.00 C ATOM 965 NE2 HIS A 64 3.800 11.392 -5.956 1.00 0.00 N ATOM 0 H HIS A 64 1.935 10.563 -2.708 1.00 0.00 H new ATOM 0 HA HIS A 64 2.001 7.906 -3.762 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.142 9.518 -2.323 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.411 8.095 -3.311 1.00 0.00 H new ATOM 0 HD1 HIS A 64 5.303 8.683 -5.543 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.629 11.573 -4.110 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.169 10.488 -7.330 1.00 0.00 H new ATOM 973 N VAL A 65 1.964 6.393 -1.815 1.00 0.00 N ATOM 974 CA VAL A 65 1.882 5.479 -0.683 1.00 0.00 C ATOM 975 C VAL A 65 2.474 4.118 -1.031 1.00 0.00 C ATOM 976 O VAL A 65 2.690 3.804 -2.201 1.00 0.00 O ATOM 977 CB VAL A 65 0.425 5.289 -0.219 1.00 0.00 C ATOM 978 CG1 VAL A 65 -0.034 6.486 0.601 1.00 0.00 C ATOM 979 CG2 VAL A 65 -0.489 5.069 -1.414 1.00 0.00 C ATOM 0 H VAL A 65 1.752 5.967 -2.717 1.00 0.00 H new ATOM 0 HA VAL A 65 2.458 5.926 0.127 1.00 0.00 H new ATOM 0 HB VAL A 65 0.375 4.404 0.415 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.065 6.334 0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.605 6.593 1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.029 7.389 -0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.514 4.937 -1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.438 5.934 -2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.171 4.178 -1.956 1.00 0.00 H new ATOM 989 N PHE A 66 2.734 3.312 -0.006 1.00 0.00 N ATOM 990 CA PHE A 66 3.302 1.984 -0.203 1.00 0.00 C ATOM 991 C PHE A 66 2.535 0.939 0.603 1.00 0.00 C ATOM 992 O PHE A 66 2.460 1.018 1.829 1.00 0.00 O ATOM 993 CB PHE A 66 4.778 1.972 0.199 1.00 0.00 C ATOM 994 CG PHE A 66 5.318 0.594 0.457 1.00 0.00 C ATOM 995 CD1 PHE A 66 5.671 -0.234 -0.597 1.00 0.00 C ATOM 996 CD2 PHE A 66 5.474 0.128 1.752 1.00 0.00 C ATOM 997 CE1 PHE A 66 6.167 -1.502 -0.363 1.00 0.00 C ATOM 998 CE2 PHE A 66 5.971 -1.140 1.992 1.00 0.00 C ATOM 999 CZ PHE A 66 6.319 -1.955 0.933 1.00 0.00 C ATOM 0 H PHE A 66 2.560 3.556 0.969 1.00 0.00 H new ATOM 0 HA PHE A 66 3.219 1.734 -1.261 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.365 2.442 -0.590 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.907 2.578 1.096 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.557 0.116 -1.612 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.204 0.762 2.584 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.436 -2.139 -1.193 1.00 0.00 H new ATOM 0 HE2 PHE A 66 6.087 -1.492 3.006 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.709 -2.945 1.118 1.00 0.00 H new ATOM 1009 N TYR A 67 1.966 -0.037 -0.096 1.00 0.00 N ATOM 1010 CA TYR A 67 1.202 -1.096 0.554 1.00 0.00 C ATOM 1011 C TYR A 67 2.103 -1.956 1.434 1.00 0.00 C ATOM 1012 O TYR A 67 2.925 -2.726 0.936 1.00 0.00 O ATOM 1013 CB TYR A 67 0.509 -1.969 -0.494 1.00 0.00 C ATOM 1014 CG TYR A 67 -0.582 -1.251 -1.256 1.00 0.00 C ATOM 1015 CD1 TYR A 67 -0.272 -0.317 -2.237 1.00 0.00 C ATOM 1016 CD2 TYR A 67 -1.922 -1.507 -0.995 1.00 0.00 C ATOM 1017 CE1 TYR A 67 -1.266 0.342 -2.934 1.00 0.00 C ATOM 1018 CE2 TYR A 67 -2.923 -0.854 -1.688 1.00 0.00 C ATOM 1019 CZ TYR A 67 -2.589 0.070 -2.657 1.00 0.00 C ATOM 1020 OH TYR A 67 -3.582 0.723 -3.351 1.00 0.00 O ATOM 0 H TYR A 67 2.019 -0.117 -1.111 1.00 0.00 H new ATOM 0 HA TYR A 67 0.446 -0.629 1.186 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.254 -2.334 -1.201 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.082 -2.843 -0.002 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.763 -0.103 -2.458 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.186 -2.229 -0.237 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.008 1.067 -3.692 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.960 -1.065 -1.473 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.458 0.416 -3.036 1.00 0.00 H new ATOM 1030 N ILE A 68 1.941 -1.820 2.746 1.00 0.00 N ATOM 1031 CA ILE A 68 2.737 -2.586 3.697 1.00 0.00 C ATOM 1032 C ILE A 68 2.163 -3.985 3.894 1.00 0.00 C ATOM 1033 O ILE A 68 2.509 -4.680 4.850 1.00 0.00 O ATOM 1034 CB ILE A 68 2.817 -1.878 5.063 1.00 0.00 C ATOM 1035 CG1 ILE A 68 1.512 -2.072 5.839 1.00 0.00 C ATOM 1036 CG2 ILE A 68 3.113 -0.398 4.876 1.00 0.00 C ATOM 1037 CD1 ILE A 68 1.552 -1.504 7.240 1.00 0.00 C ATOM 0 H ILE A 68 1.266 -1.187 3.174 1.00 0.00 H new ATOM 0 HA ILE A 68 3.740 -2.664 3.278 1.00 0.00 H new ATOM 0 HB ILE A 68 3.630 -2.321 5.639 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.698 -1.601 5.288 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.286 -3.137 5.894 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.166 0.088 5.850 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.065 -0.280 4.359 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.320 0.060 4.285 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.594 -1.678 7.730 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.344 -1.992 7.808 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.747 -0.433 7.193 1.00 0.00 H new ATOM 1049 N ASP A 69 1.285 -4.392 2.984 1.00 0.00 N ATOM 1050 CA ASP A 69 0.665 -5.709 3.056 1.00 0.00 C ATOM 1051 C ASP A 69 1.190 -6.618 1.948 1.00 0.00 C ATOM 1052 O ASP A 69 1.279 -7.834 2.120 1.00 0.00 O ATOM 1053 CB ASP A 69 -0.856 -5.587 2.953 1.00 0.00 C ATOM 1054 CG ASP A 69 -1.429 -4.621 3.972 1.00 0.00 C ATOM 1055 OD1 ASP A 69 -0.961 -4.634 5.129 1.00 0.00 O ATOM 1056 OD2 ASP A 69 -2.346 -3.853 3.612 1.00 0.00 O ATOM 0 H ASP A 69 0.987 -3.828 2.188 1.00 0.00 H new ATOM 0 HA ASP A 69 0.922 -6.152 4.018 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.124 -5.254 1.950 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.307 -6.569 3.094 1.00 0.00 H new ATOM 1061 N TYR A 70 1.535 -6.020 0.813 1.00 0.00 N ATOM 1062 CA TYR A 70 2.047 -6.776 -0.323 1.00 0.00 C ATOM 1063 C TYR A 70 3.470 -6.345 -0.667 1.00 0.00 C ATOM 1064 O TYR A 70 4.340 -7.178 -0.917 1.00 0.00 O ATOM 1065 CB TYR A 70 1.138 -6.589 -1.539 1.00 0.00 C ATOM 1066 CG TYR A 70 -0.288 -7.032 -1.302 1.00 0.00 C ATOM 1067 CD1 TYR A 70 -1.134 -6.306 -0.473 1.00 0.00 C ATOM 1068 CD2 TYR A 70 -0.790 -8.177 -1.909 1.00 0.00 C ATOM 1069 CE1 TYR A 70 -2.437 -6.707 -0.254 1.00 0.00 C ATOM 1070 CE2 TYR A 70 -2.093 -8.585 -1.697 1.00 0.00 C ATOM 1071 CZ TYR A 70 -2.912 -7.848 -0.868 1.00 0.00 C ATOM 1072 OH TYR A 70 -4.210 -8.250 -0.653 1.00 0.00 O ATOM 0 H TYR A 70 1.469 -5.014 0.656 1.00 0.00 H new ATOM 0 HA TYR A 70 2.062 -7.831 -0.048 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.140 -5.537 -1.826 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.549 -7.149 -2.379 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.766 -5.412 0.009 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.151 -8.758 -2.557 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.081 -6.131 0.394 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.468 -9.476 -2.178 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.818 -7.503 -0.833 1.00 0.00 H new ATOM 1082 N GLY A 71 3.699 -5.035 -0.677 1.00 0.00 N ATOM 1083 CA GLY A 71 5.016 -4.515 -0.990 1.00 0.00 C ATOM 1084 C GLY A 71 5.051 -3.784 -2.318 1.00 0.00 C ATOM 1085 O GLY A 71 5.987 -3.946 -3.099 1.00 0.00 O ATOM 0 H GLY A 71 2.995 -4.325 -0.474 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.333 -3.837 -0.197 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.732 -5.337 -1.012 1.00 0.00 H new ATOM 1089 N ASN A 72 4.025 -2.978 -2.574 1.00 0.00 N ATOM 1090 CA ASN A 72 3.940 -2.221 -3.818 1.00 0.00 C ATOM 1091 C ASN A 72 3.629 -0.753 -3.541 1.00 0.00 C ATOM 1092 O ASN A 72 3.296 -0.380 -2.416 1.00 0.00 O ATOM 1093 CB ASN A 72 2.867 -2.818 -4.730 1.00 0.00 C ATOM 1094 CG ASN A 72 3.182 -2.619 -6.200 1.00 0.00 C ATOM 1095 OD1 ASN A 72 3.989 -3.347 -6.778 1.00 0.00 O ATOM 1096 ND2 ASN A 72 2.544 -1.628 -6.813 1.00 0.00 N ATOM 0 H ASN A 72 3.242 -2.832 -1.937 1.00 0.00 H new ATOM 0 HA ASN A 72 4.907 -2.281 -4.318 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.770 -3.884 -4.523 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.904 -2.360 -4.502 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.715 -1.446 -7.802 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.883 -1.049 -6.295 1.00 0.00 H new ATOM 1103 N ARG A 73 3.740 0.074 -4.575 1.00 0.00 N ATOM 1104 CA ARG A 73 3.471 1.501 -4.444 1.00 0.00 C ATOM 1105 C ARG A 73 2.451 1.960 -5.481 1.00 0.00 C ATOM 1106 O ARG A 73 2.329 1.365 -6.551 1.00 0.00 O ATOM 1107 CB ARG A 73 4.766 2.302 -4.597 1.00 0.00 C ATOM 1108 CG ARG A 73 5.764 2.067 -3.475 1.00 0.00 C ATOM 1109 CD ARG A 73 6.694 0.906 -3.792 1.00 0.00 C ATOM 1110 NE ARG A 73 7.783 1.304 -4.681 1.00 0.00 N ATOM 1111 CZ ARG A 73 8.463 0.449 -5.437 1.00 0.00 C ATOM 1112 NH1 ARG A 73 8.169 -0.843 -5.412 1.00 0.00 N ATOM 1113 NH2 ARG A 73 9.440 0.888 -6.221 1.00 0.00 N ATOM 0 H ARG A 73 4.014 -0.219 -5.513 1.00 0.00 H new ATOM 0 HA ARG A 73 3.058 1.677 -3.451 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.233 2.043 -5.547 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.524 3.364 -4.640 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.351 2.971 -3.313 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.229 1.864 -2.547 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.109 0.510 -2.865 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.124 0.101 -4.255 1.00 0.00 H new ATOM 0 HE ARG A 73 8.035 2.292 -4.723 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.419 -1.184 -4.811 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.693 -1.497 -5.994 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.669 1.882 -6.243 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.962 0.232 -6.801 1.00 0.00 H new ATOM 1127 N GLU A 74 1.720 3.022 -5.156 1.00 0.00 N ATOM 1128 CA GLU A 74 0.709 3.559 -6.059 1.00 0.00 C ATOM 1129 C GLU A 74 0.314 4.976 -5.653 1.00 0.00 C ATOM 1130 O GLU A 74 0.078 5.253 -4.477 1.00 0.00 O ATOM 1131 CB GLU A 74 -0.526 2.656 -6.072 1.00 0.00 C ATOM 1132 CG GLU A 74 -1.555 3.048 -7.119 1.00 0.00 C ATOM 1133 CD GLU A 74 -1.210 2.527 -8.500 1.00 0.00 C ATOM 1134 OE1 GLU A 74 -0.108 2.842 -8.996 1.00 0.00 O ATOM 1135 OE2 GLU A 74 -2.042 1.803 -9.086 1.00 0.00 O ATOM 0 H GLU A 74 1.809 3.527 -4.274 1.00 0.00 H new ATOM 0 HA GLU A 74 1.135 3.593 -7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.212 1.628 -6.250 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.994 2.680 -5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.532 2.665 -6.824 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.636 4.134 -7.154 1.00 0.00 H new ATOM 1142 N VAL A 75 0.244 5.869 -6.635 1.00 0.00 N ATOM 1143 CA VAL A 75 -0.123 7.257 -6.381 1.00 0.00 C ATOM 1144 C VAL A 75 -1.636 7.439 -6.409 1.00 0.00 C ATOM 1145 O VAL A 75 -2.238 7.567 -7.477 1.00 0.00 O ATOM 1146 CB VAL A 75 0.516 8.204 -7.413 1.00 0.00 C ATOM 1147 CG1 VAL A 75 0.105 9.644 -7.144 1.00 0.00 C ATOM 1148 CG2 VAL A 75 2.031 8.063 -7.399 1.00 0.00 C ATOM 0 H VAL A 75 0.437 5.656 -7.614 1.00 0.00 H new ATOM 0 HA VAL A 75 0.252 7.507 -5.389 1.00 0.00 H new ATOM 0 HB VAL A 75 0.157 7.928 -8.404 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.567 10.298 -7.884 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.980 9.731 -7.209 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.433 9.936 -6.146 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.466 8.740 -8.134 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.410 8.312 -6.408 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.303 7.036 -7.645 1.00 0.00 H new ATOM 1158 N LEU A 76 -2.248 7.451 -5.230 1.00 0.00 N ATOM 1159 CA LEU A 76 -3.692 7.618 -5.118 1.00 0.00 C ATOM 1160 C LEU A 76 -4.036 8.924 -4.409 1.00 0.00 C ATOM 1161 O LEU A 76 -3.265 9.441 -3.600 1.00 0.00 O ATOM 1162 CB LEU A 76 -4.306 6.437 -4.363 1.00 0.00 C ATOM 1163 CG LEU A 76 -3.805 5.050 -4.766 1.00 0.00 C ATOM 1164 CD1 LEU A 76 -4.055 4.047 -3.650 1.00 0.00 C ATOM 1165 CD2 LEU A 76 -4.475 4.595 -6.055 1.00 0.00 C ATOM 0 H LEU A 76 -1.766 7.347 -4.337 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.108 7.652 -6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.117 6.574 -3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.387 6.465 -4.501 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.731 5.109 -4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.692 3.065 -3.955 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.529 4.365 -2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.124 3.991 -3.444 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.107 3.606 -6.327 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.554 4.553 -5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.244 5.300 -6.853 1.00 0.00 H new ATOM 1177 N PRO A 77 -5.222 9.470 -4.716 1.00 0.00 N ATOM 1178 CA PRO A 77 -5.696 10.721 -4.117 1.00 0.00 C ATOM 1179 C PRO A 77 -6.042 10.562 -2.641 1.00 0.00 C ATOM 1180 O PRO A 77 -6.018 9.455 -2.104 1.00 0.00 O ATOM 1181 CB PRO A 77 -6.952 11.049 -4.928 1.00 0.00 C ATOM 1182 CG PRO A 77 -7.427 9.733 -5.440 1.00 0.00 C ATOM 1183 CD PRO A 77 -6.191 8.909 -5.672 1.00 0.00 C ATOM 0 HA PRO A 77 -4.936 11.502 -4.148 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.709 11.529 -4.308 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.728 11.734 -5.745 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.089 9.250 -4.721 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.994 9.855 -6.363 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.373 7.851 -5.485 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.838 8.995 -6.700 1.00 0.00 H new ATOM 1191 N SER A 78 -6.363 11.675 -1.989 1.00 0.00 N ATOM 1192 CA SER A 78 -6.711 11.660 -0.573 1.00 0.00 C ATOM 1193 C SER A 78 -8.125 11.125 -0.367 1.00 0.00 C ATOM 1194 O SER A 78 -8.619 11.060 0.759 1.00 0.00 O ATOM 1195 CB SER A 78 -6.593 13.066 0.018 1.00 0.00 C ATOM 1196 OG SER A 78 -7.487 13.963 -0.619 1.00 0.00 O ATOM 0 H SER A 78 -6.389 12.599 -2.419 1.00 0.00 H new ATOM 0 HA SER A 78 -6.013 10.999 -0.059 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.805 13.034 1.087 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.570 13.426 -0.093 1.00 0.00 H new ATOM 0 HG SER A 78 -7.178 14.140 -1.532 1.00 0.00 H new ATOM 1202 N THR A 79 -8.772 10.742 -1.463 1.00 0.00 N ATOM 1203 CA THR A 79 -10.129 10.214 -1.405 1.00 0.00 C ATOM 1204 C THR A 79 -10.125 8.720 -1.103 1.00 0.00 C ATOM 1205 O THR A 79 -10.958 8.229 -0.342 1.00 0.00 O ATOM 1206 CB THR A 79 -10.884 10.458 -2.725 1.00 0.00 C ATOM 1207 OG1 THR A 79 -10.165 9.872 -3.816 1.00 0.00 O ATOM 1208 CG2 THR A 79 -11.070 11.947 -2.975 1.00 0.00 C ATOM 0 H THR A 79 -8.377 10.788 -2.402 1.00 0.00 H new ATOM 0 HA THR A 79 -10.640 10.743 -0.600 1.00 0.00 H new ATOM 0 HB THR A 79 -11.867 9.993 -2.647 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.652 10.030 -4.651 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.606 12.094 -3.913 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.643 12.384 -2.157 1.00 0.00 H new ATOM 0 HG23 THR A 79 -10.095 12.431 -3.034 1.00 0.00 H new ATOM 1216 N ARG A 80 -9.182 8.002 -1.704 1.00 0.00 N ATOM 1217 CA ARG A 80 -9.070 6.563 -1.500 1.00 0.00 C ATOM 1218 C ARG A 80 -8.351 6.254 -0.190 1.00 0.00 C ATOM 1219 O ARG A 80 -8.191 5.091 0.184 1.00 0.00 O ATOM 1220 CB ARG A 80 -8.325 5.917 -2.668 1.00 0.00 C ATOM 1221 CG ARG A 80 -8.448 6.689 -3.972 1.00 0.00 C ATOM 1222 CD ARG A 80 -8.289 5.776 -5.177 1.00 0.00 C ATOM 1223 NE ARG A 80 -8.771 6.402 -6.405 1.00 0.00 N ATOM 1224 CZ ARG A 80 -10.047 6.405 -6.777 1.00 0.00 C ATOM 1225 NH1 ARG A 80 -10.963 5.818 -6.019 1.00 0.00 N ATOM 1226 NH2 ARG A 80 -10.408 6.996 -7.909 1.00 0.00 N ATOM 0 H ARG A 80 -8.484 8.394 -2.336 1.00 0.00 H new ATOM 0 HA ARG A 80 -10.077 6.149 -1.448 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -7.270 5.825 -2.409 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -8.706 4.907 -2.817 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.419 7.182 -4.014 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.691 7.472 -4.005 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.239 5.510 -5.294 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -8.835 4.849 -5.004 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.091 6.862 -7.010 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -10.689 5.363 -5.148 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -11.942 5.822 -6.307 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -9.706 7.448 -8.495 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -11.387 6.998 -8.194 1.00 0.00 H new ATOM 1240 N LEU A 81 -7.919 7.302 0.503 1.00 0.00 N ATOM 1241 CA LEU A 81 -7.216 7.143 1.771 1.00 0.00 C ATOM 1242 C LEU A 81 -8.152 7.399 2.948 1.00 0.00 C ATOM 1243 O LEU A 81 -9.005 8.284 2.896 1.00 0.00 O ATOM 1244 CB LEU A 81 -6.022 8.097 1.838 1.00 0.00 C ATOM 1245 CG LEU A 81 -4.924 7.871 0.798 1.00 0.00 C ATOM 1246 CD1 LEU A 81 -3.899 8.994 0.852 1.00 0.00 C ATOM 1247 CD2 LEU A 81 -4.252 6.523 1.016 1.00 0.00 C ATOM 0 H LEU A 81 -8.043 8.271 0.208 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.857 6.116 1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.391 9.117 1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.577 8.021 2.830 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.382 7.871 -0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.125 8.817 0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.390 9.945 0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.446 9.026 1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.473 6.379 0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.808 6.495 2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.993 5.728 0.926 1.00 0.00 H new ATOM 1259 N GLY A 82 -7.985 6.618 4.012 1.00 0.00 N ATOM 1260 CA GLY A 82 -8.820 6.777 5.188 1.00 0.00 C ATOM 1261 C GLY A 82 -8.072 6.486 6.473 1.00 0.00 C ATOM 1262 O GLY A 82 -6.915 6.063 6.447 1.00 0.00 O ATOM 0 H GLY A 82 -7.286 5.878 4.080 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.208 7.795 5.220 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.679 6.111 5.113 1.00 0.00 H new ATOM 1266 N THR A 83 -8.732 6.713 7.605 1.00 0.00 N ATOM 1267 CA THR A 83 -8.122 6.475 8.907 1.00 0.00 C ATOM 1268 C THR A 83 -8.012 4.983 9.198 1.00 0.00 C ATOM 1269 O THR A 83 -9.021 4.292 9.345 1.00 0.00 O ATOM 1270 CB THR A 83 -8.926 7.149 10.035 1.00 0.00 C ATOM 1271 OG1 THR A 83 -9.473 8.389 9.574 1.00 0.00 O ATOM 1272 CG2 THR A 83 -8.046 7.398 11.251 1.00 0.00 C ATOM 0 H THR A 83 -9.690 7.062 7.646 1.00 0.00 H new ATOM 0 HA THR A 83 -7.123 6.910 8.873 1.00 0.00 H new ATOM 0 HB THR A 83 -9.737 6.480 10.323 1.00 0.00 H new ATOM 0 HG1 THR A 83 -9.984 8.810 10.297 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.635 7.875 12.035 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.655 6.449 11.617 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.217 8.049 10.973 1.00 0.00 H new ATOM 1280 N LEU A 84 -6.781 4.491 9.281 1.00 0.00 N ATOM 1281 CA LEU A 84 -6.538 3.079 9.557 1.00 0.00 C ATOM 1282 C LEU A 84 -6.887 2.738 11.002 1.00 0.00 C ATOM 1283 O LEU A 84 -6.153 3.085 11.927 1.00 0.00 O ATOM 1284 CB LEU A 84 -5.076 2.728 9.277 1.00 0.00 C ATOM 1285 CG LEU A 84 -4.599 1.373 9.800 1.00 0.00 C ATOM 1286 CD1 LEU A 84 -5.503 0.258 9.297 1.00 0.00 C ATOM 1287 CD2 LEU A 84 -3.156 1.120 9.387 1.00 0.00 C ATOM 0 H LEU A 84 -5.935 5.049 9.161 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.179 2.491 8.900 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.917 2.755 8.199 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.447 3.505 9.712 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.647 1.388 10.889 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.148 -0.699 9.680 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.522 0.432 9.643 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.488 0.241 8.207 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.833 0.151 9.768 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.083 1.125 8.299 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.518 1.902 9.798 1.00 0.00 H new ATOM 1299 N SER A 85 -8.012 2.053 11.188 1.00 0.00 N ATOM 1300 CA SER A 85 -8.459 1.666 12.521 1.00 0.00 C ATOM 1301 C SER A 85 -7.326 1.012 13.305 1.00 0.00 C ATOM 1302 O SER A 85 -6.486 0.300 12.755 1.00 0.00 O ATOM 1303 CB SER A 85 -9.648 0.708 12.424 1.00 0.00 C ATOM 1304 OG SER A 85 -10.024 0.232 13.705 1.00 0.00 O ATOM 0 H SER A 85 -8.630 1.755 10.433 1.00 0.00 H new ATOM 0 HA SER A 85 -8.770 2.567 13.050 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.492 1.217 11.959 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.390 -0.133 11.781 1.00 0.00 H new ATOM 0 HG SER A 85 -10.787 -0.377 13.617 1.00 0.00 H new ATOM 1310 N PRO A 86 -7.301 1.258 14.624 1.00 0.00 N ATOM 1311 CA PRO A 86 -6.277 0.703 15.514 1.00 0.00 C ATOM 1312 C PRO A 86 -6.425 -0.803 15.699 1.00 0.00 C ATOM 1313 O PRO A 86 -5.454 -1.501 15.986 1.00 0.00 O ATOM 1314 CB PRO A 86 -6.524 1.431 16.837 1.00 0.00 C ATOM 1315 CG PRO A 86 -7.962 1.821 16.792 1.00 0.00 C ATOM 1316 CD PRO A 86 -8.271 2.098 15.347 1.00 0.00 C ATOM 0 HA PRO A 86 -5.272 0.843 15.116 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.316 0.785 17.690 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.880 2.305 16.934 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.595 1.023 17.180 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -8.147 2.702 17.406 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.298 1.832 15.097 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.148 3.154 15.105 1.00 0.00 H new ATOM 1324 N ALA A 87 -7.647 -1.298 15.532 1.00 0.00 N ATOM 1325 CA ALA A 87 -7.922 -2.722 15.678 1.00 0.00 C ATOM 1326 C ALA A 87 -7.339 -3.516 14.513 1.00 0.00 C ATOM 1327 O ALA A 87 -7.014 -4.695 14.653 1.00 0.00 O ATOM 1328 CB ALA A 87 -9.420 -2.963 15.786 1.00 0.00 C ATOM 0 H ALA A 87 -8.463 -0.733 15.295 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.443 -3.067 16.595 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.610 -4.031 15.895 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.812 -2.435 16.655 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.913 -2.596 14.886 1.00 0.00 H new ATOM 1334 N PHE A 88 -7.211 -2.862 13.363 1.00 0.00 N ATOM 1335 CA PHE A 88 -6.669 -3.508 12.173 1.00 0.00 C ATOM 1336 C PHE A 88 -5.266 -2.992 11.866 1.00 0.00 C ATOM 1337 O PHE A 88 -4.549 -3.564 11.045 1.00 0.00 O ATOM 1338 CB PHE A 88 -7.587 -3.267 10.974 1.00 0.00 C ATOM 1339 CG PHE A 88 -9.046 -3.432 11.293 1.00 0.00 C ATOM 1340 CD1 PHE A 88 -9.496 -4.545 11.983 1.00 0.00 C ATOM 1341 CD2 PHE A 88 -9.966 -2.473 10.902 1.00 0.00 C ATOM 1342 CE1 PHE A 88 -10.837 -4.700 12.279 1.00 0.00 C ATOM 1343 CE2 PHE A 88 -11.309 -2.622 11.195 1.00 0.00 C ATOM 1344 CZ PHE A 88 -11.745 -3.737 11.883 1.00 0.00 C ATOM 0 H PHE A 88 -7.475 -1.886 13.230 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.609 -4.579 12.366 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.418 -2.259 10.594 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.317 -3.958 10.175 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.790 -5.301 12.294 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.631 -1.600 10.363 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.175 -5.572 12.819 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.017 -1.867 10.886 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.794 -3.856 12.111 1.00 0.00 H new ATOM 1354 N SER A 89 -4.882 -1.907 12.530 1.00 0.00 N ATOM 1355 CA SER A 89 -3.567 -1.310 12.326 1.00 0.00 C ATOM 1356 C SER A 89 -2.468 -2.361 12.453 1.00 0.00 C ATOM 1357 O SER A 89 -2.516 -3.224 13.331 1.00 0.00 O ATOM 1358 CB SER A 89 -3.332 -0.184 13.334 1.00 0.00 C ATOM 1359 OG SER A 89 -4.127 0.948 13.029 1.00 0.00 O ATOM 0 H SER A 89 -5.463 -1.423 13.214 1.00 0.00 H new ATOM 0 HA SER A 89 -3.535 -0.897 11.318 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.566 -0.536 14.339 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.279 0.096 13.332 1.00 0.00 H new ATOM 0 HG SER A 89 -5.029 0.657 12.781 1.00 0.00 H new ATOM 1365 N THR A 90 -1.477 -2.281 11.571 1.00 0.00 N ATOM 1366 CA THR A 90 -0.366 -3.224 11.583 1.00 0.00 C ATOM 1367 C THR A 90 0.140 -3.460 13.001 1.00 0.00 C ATOM 1368 O THR A 90 0.770 -4.479 13.285 1.00 0.00 O ATOM 1369 CB THR A 90 0.801 -2.728 10.709 1.00 0.00 C ATOM 1370 OG1 THR A 90 1.843 -3.710 10.680 1.00 0.00 O ATOM 1371 CG2 THR A 90 1.352 -1.413 11.238 1.00 0.00 C ATOM 0 H THR A 90 -1.421 -1.573 10.839 1.00 0.00 H new ATOM 0 HA THR A 90 -0.743 -4.162 11.175 1.00 0.00 H new ATOM 0 HB THR A 90 0.426 -2.566 9.698 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.449 -4.606 10.719 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.175 -1.082 10.605 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.564 -0.660 11.232 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.712 -1.553 12.257 1.00 0.00 H new ATOM 1379 N ARG A 91 -0.139 -2.511 13.889 1.00 0.00 N ATOM 1380 CA ARG A 91 0.289 -2.616 15.279 1.00 0.00 C ATOM 1381 C ARG A 91 0.015 -4.012 15.829 1.00 0.00 C ATOM 1382 O ARG A 91 0.676 -4.464 16.764 1.00 0.00 O ATOM 1383 CB ARG A 91 -0.426 -1.569 16.135 1.00 0.00 C ATOM 1384 CG ARG A 91 -0.029 -0.139 15.807 1.00 0.00 C ATOM 1385 CD ARG A 91 -0.792 0.861 16.662 1.00 0.00 C ATOM 1386 NE ARG A 91 -0.322 0.871 18.044 1.00 0.00 N ATOM 1387 CZ ARG A 91 -0.520 1.885 18.880 1.00 0.00 C ATOM 1388 NH1 ARG A 91 -1.176 2.963 18.476 1.00 0.00 N ATOM 1389 NH2 ARG A 91 -0.061 1.819 20.124 1.00 0.00 N ATOM 0 H ARG A 91 -0.659 -1.661 13.671 1.00 0.00 H new ATOM 0 HA ARG A 91 1.363 -2.435 15.317 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.502 -1.678 16.003 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.213 -1.764 17.186 1.00 0.00 H new ATOM 0 HG2 ARG A 91 1.042 -0.012 15.965 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.221 0.061 14.753 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.685 1.858 16.236 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.854 0.618 16.642 1.00 0.00 H new ATOM 0 HE ARG A 91 0.186 0.056 18.387 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -1.531 3.016 17.521 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.326 3.740 19.120 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.444 0.990 20.438 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.213 2.597 20.766 1.00 0.00 H new ATOM 1403 N VAL A 92 -0.965 -4.692 15.242 1.00 0.00 N ATOM 1404 CA VAL A 92 -1.327 -6.037 15.672 1.00 0.00 C ATOM 1405 C VAL A 92 -0.693 -7.091 14.773 1.00 0.00 C ATOM 1406 O VAL A 92 -0.253 -8.141 15.243 1.00 0.00 O ATOM 1407 CB VAL A 92 -2.855 -6.233 15.676 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -3.231 -7.484 16.456 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -3.548 -5.007 16.252 1.00 0.00 C ATOM 0 H VAL A 92 -1.523 -4.333 14.467 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.950 -6.156 16.688 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.190 -6.361 14.647 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.314 -7.606 16.448 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.764 -8.354 15.995 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.884 -7.389 17.485 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.627 -5.163 16.247 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.209 -4.845 17.275 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.305 -4.134 15.647 1.00 0.00 H new ATOM 1419 N LEU A 93 -0.647 -6.805 13.476 1.00 0.00 N ATOM 1420 CA LEU A 93 -0.065 -7.728 12.509 1.00 0.00 C ATOM 1421 C LEU A 93 1.113 -7.086 11.783 1.00 0.00 C ATOM 1422 O LEU A 93 1.069 -5.921 11.386 1.00 0.00 O ATOM 1423 CB LEU A 93 -1.123 -8.170 11.495 1.00 0.00 C ATOM 1424 CG LEU A 93 -0.795 -9.426 10.687 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -0.816 -10.656 11.580 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -1.772 -9.586 9.532 1.00 0.00 C ATOM 0 H LEU A 93 -1.006 -5.941 13.070 1.00 0.00 H new ATOM 0 HA LEU A 93 0.298 -8.601 13.051 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.059 -8.339 12.027 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.296 -7.349 10.799 1.00 0.00 H new ATOM 0 HG LEU A 93 0.209 -9.319 10.276 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.580 -11.540 10.987 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.076 -10.543 12.373 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.806 -10.768 12.021 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.524 -10.485 8.967 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.786 -9.671 9.922 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.707 -8.717 8.877 1.00 0.00 H new ATOM 1438 N PRO A 94 2.192 -7.862 11.604 1.00 0.00 N ATOM 1439 CA PRO A 94 3.402 -7.391 10.923 1.00 0.00 C ATOM 1440 C PRO A 94 3.182 -7.182 9.429 1.00 0.00 C ATOM 1441 O PRO A 94 2.488 -7.964 8.779 1.00 0.00 O ATOM 1442 CB PRO A 94 4.407 -8.520 11.164 1.00 0.00 C ATOM 1443 CG PRO A 94 3.569 -9.734 11.373 1.00 0.00 C ATOM 1444 CD PRO A 94 2.314 -9.260 12.052 1.00 0.00 C ATOM 0 HA PRO A 94 3.731 -6.422 11.299 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.076 -8.643 10.313 1.00 0.00 H new ATOM 0 HB3 PRO A 94 5.031 -8.315 12.034 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.340 -10.218 10.424 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.091 -10.468 11.987 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.449 -9.854 11.757 1.00 0.00 H new ATOM 0 HD3 PRO A 94 2.393 -9.329 13.137 1.00 0.00 H new ATOM 1452 N ALA A 95 3.778 -6.124 8.890 1.00 0.00 N ATOM 1453 CA ALA A 95 3.650 -5.815 7.471 1.00 0.00 C ATOM 1454 C ALA A 95 4.207 -6.944 6.610 1.00 0.00 C ATOM 1455 O ALA A 95 5.412 -7.191 6.600 1.00 0.00 O ATOM 1456 CB ALA A 95 4.356 -4.506 7.150 1.00 0.00 C ATOM 0 H ALA A 95 4.354 -5.466 9.415 1.00 0.00 H new ATOM 0 HA ALA A 95 2.590 -5.709 7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.252 -4.288 6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.909 -3.699 7.731 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.413 -4.592 7.401 1.00 0.00 H new ATOM 1462 N GLN A 96 3.321 -7.625 5.891 1.00 0.00 N ATOM 1463 CA GLN A 96 3.726 -8.729 5.028 1.00 0.00 C ATOM 1464 C GLN A 96 4.449 -8.214 3.788 1.00 0.00 C ATOM 1465 O GLN A 96 5.032 -8.989 3.030 1.00 0.00 O ATOM 1466 CB GLN A 96 2.507 -9.556 4.616 1.00 0.00 C ATOM 1467 CG GLN A 96 1.674 -10.040 5.793 1.00 0.00 C ATOM 1468 CD GLN A 96 2.441 -10.979 6.703 1.00 0.00 C ATOM 1469 OE1 GLN A 96 3.035 -11.956 6.246 1.00 0.00 O ATOM 1470 NE2 GLN A 96 2.431 -10.688 7.998 1.00 0.00 N ATOM 0 H GLN A 96 2.319 -7.432 5.889 1.00 0.00 H new ATOM 0 HA GLN A 96 4.413 -9.362 5.589 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.877 -8.957 3.958 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.841 -10.418 4.039 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.332 -9.180 6.369 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.785 -10.548 5.420 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.925 -9.868 8.333 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.929 -11.285 8.659 1.00 0.00 H new ATOM 1479 N ALA A 97 4.405 -6.901 3.586 1.00 0.00 N ATOM 1480 CA ALA A 97 5.057 -6.282 2.439 1.00 0.00 C ATOM 1481 C ALA A 97 6.481 -6.800 2.271 1.00 0.00 C ATOM 1482 O ALA A 97 7.140 -7.164 3.246 1.00 0.00 O ATOM 1483 CB ALA A 97 5.058 -4.768 2.586 1.00 0.00 C ATOM 0 H ALA A 97 3.924 -6.246 4.202 1.00 0.00 H new ATOM 0 HA ALA A 97 4.494 -6.549 1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.548 -4.319 1.722 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.031 -4.408 2.648 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.595 -4.491 3.493 1.00 0.00 H new ATOM 1489 N THR A 98 6.952 -6.833 1.028 1.00 0.00 N ATOM 1490 CA THR A 98 8.297 -7.309 0.732 1.00 0.00 C ATOM 1491 C THR A 98 9.295 -6.157 0.710 1.00 0.00 C ATOM 1492 O THR A 98 10.421 -6.290 1.190 1.00 0.00 O ATOM 1493 CB THR A 98 8.349 -8.043 -0.621 1.00 0.00 C ATOM 1494 OG1 THR A 98 7.838 -9.373 -0.476 1.00 0.00 O ATOM 1495 CG2 THR A 98 9.773 -8.097 -1.153 1.00 0.00 C ATOM 0 H THR A 98 6.421 -6.535 0.210 1.00 0.00 H new ATOM 0 HA THR A 98 8.567 -8.006 1.525 1.00 0.00 H new ATOM 0 HB THR A 98 7.733 -7.493 -1.332 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.873 -9.833 -1.341 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.785 -8.620 -2.109 1.00 0.00 H new ATOM 0 HG22 THR A 98 10.149 -7.083 -1.289 1.00 0.00 H new ATOM 0 HG23 THR A 98 10.407 -8.627 -0.442 1.00 0.00 H new ATOM 1503 N GLU A 99 8.875 -5.026 0.152 1.00 0.00 N ATOM 1504 CA GLU A 99 9.734 -3.850 0.068 1.00 0.00 C ATOM 1505 C GLU A 99 9.599 -2.988 1.320 1.00 0.00 C ATOM 1506 O GLU A 99 10.126 -1.877 1.380 1.00 0.00 O ATOM 1507 CB GLU A 99 9.387 -3.025 -1.173 1.00 0.00 C ATOM 1508 CG GLU A 99 9.631 -3.760 -2.480 1.00 0.00 C ATOM 1509 CD GLU A 99 11.027 -3.533 -3.026 1.00 0.00 C ATOM 1510 OE1 GLU A 99 11.978 -3.476 -2.217 1.00 0.00 O ATOM 1511 OE2 GLU A 99 11.171 -3.411 -4.260 1.00 0.00 O ATOM 0 H GLU A 99 7.946 -4.899 -0.249 1.00 0.00 H new ATOM 0 HA GLU A 99 10.767 -4.190 -0.008 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.339 -2.730 -1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 99 9.976 -2.108 -1.166 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.474 -4.828 -2.327 1.00 0.00 H new ATOM 0 HG3 GLU A 99 8.899 -3.433 -3.218 1.00 0.00 H new ATOM 1518 N TYR A 100 8.890 -3.508 2.315 1.00 0.00 N ATOM 1519 CA TYR A 100 8.683 -2.785 3.564 1.00 0.00 C ATOM 1520 C TYR A 100 9.985 -2.673 4.352 1.00 0.00 C ATOM 1521 O TYR A 100 10.357 -1.592 4.807 1.00 0.00 O ATOM 1522 CB TYR A 100 7.620 -3.485 4.413 1.00 0.00 C ATOM 1523 CG TYR A 100 7.517 -2.945 5.821 1.00 0.00 C ATOM 1524 CD1 TYR A 100 6.834 -1.765 6.087 1.00 0.00 C ATOM 1525 CD2 TYR A 100 8.103 -3.617 6.888 1.00 0.00 C ATOM 1526 CE1 TYR A 100 6.739 -1.268 7.372 1.00 0.00 C ATOM 1527 CE2 TYR A 100 8.011 -3.128 8.177 1.00 0.00 C ATOM 1528 CZ TYR A 100 7.329 -1.953 8.414 1.00 0.00 C ATOM 1529 OH TYR A 100 7.235 -1.462 9.696 1.00 0.00 O ATOM 0 H TYR A 100 8.449 -4.427 2.281 1.00 0.00 H new ATOM 0 HA TYR A 100 8.340 -1.780 3.319 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.652 -3.385 3.923 1.00 0.00 H new ATOM 0 HB3 TYR A 100 7.846 -4.550 4.457 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.369 -1.227 5.274 1.00 0.00 H new ATOM 0 HD2 TYR A 100 8.639 -4.537 6.706 1.00 0.00 H new ATOM 0 HE1 TYR A 100 6.206 -0.348 7.560 1.00 0.00 H new ATOM 0 HE2 TYR A 100 8.471 -3.663 8.995 1.00 0.00 H new ATOM 0 HH TYR A 100 7.703 -2.064 10.312 1.00 0.00 H new ATOM 1539 N ALA A 101 10.673 -3.800 4.507 1.00 0.00 N ATOM 1540 CA ALA A 101 11.935 -3.829 5.236 1.00 0.00 C ATOM 1541 C ALA A 101 12.784 -2.604 4.915 1.00 0.00 C ATOM 1542 O ALA A 101 13.515 -2.101 5.768 1.00 0.00 O ATOM 1543 CB ALA A 101 12.701 -5.103 4.913 1.00 0.00 C ATOM 0 H ALA A 101 10.378 -4.704 4.138 1.00 0.00 H new ATOM 0 HA ALA A 101 11.710 -3.813 6.302 1.00 0.00 H new ATOM 0 HB1 ALA A 101 13.641 -5.112 5.464 1.00 0.00 H new ATOM 0 HB2 ALA A 101 12.104 -5.969 5.200 1.00 0.00 H new ATOM 0 HB3 ALA A 101 12.907 -5.142 3.843 1.00 0.00 H new ATOM 1549 N PHE A 102 12.682 -2.127 3.678 1.00 0.00 N ATOM 1550 CA PHE A 102 13.442 -0.961 3.244 1.00 0.00 C ATOM 1551 C PHE A 102 12.554 0.279 3.192 1.00 0.00 C ATOM 1552 O PHE A 102 13.038 1.407 3.280 1.00 0.00 O ATOM 1553 CB PHE A 102 14.065 -1.214 1.869 1.00 0.00 C ATOM 1554 CG PHE A 102 15.120 -2.283 1.877 1.00 0.00 C ATOM 1555 CD1 PHE A 102 16.356 -2.051 2.457 1.00 0.00 C ATOM 1556 CD2 PHE A 102 14.875 -3.520 1.302 1.00 0.00 C ATOM 1557 CE1 PHE A 102 17.329 -3.033 2.466 1.00 0.00 C ATOM 1558 CE2 PHE A 102 15.843 -4.506 1.309 1.00 0.00 C ATOM 1559 CZ PHE A 102 17.072 -4.262 1.890 1.00 0.00 C ATOM 0 H PHE A 102 12.081 -2.530 2.959 1.00 0.00 H new ATOM 0 HA PHE A 102 14.237 -0.787 3.969 1.00 0.00 H new ATOM 0 HB2 PHE A 102 13.279 -1.496 1.169 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.502 -0.286 1.501 1.00 0.00 H new ATOM 0 HD1 PHE A 102 16.562 -1.091 2.908 1.00 0.00 H new ATOM 0 HD2 PHE A 102 13.917 -3.715 0.843 1.00 0.00 H new ATOM 0 HE1 PHE A 102 18.288 -2.840 2.923 1.00 0.00 H new ATOM 0 HE2 PHE A 102 15.639 -5.467 0.860 1.00 0.00 H new ATOM 0 HZ PHE A 102 17.831 -5.031 1.894 1.00 0.00 H new ATOM 1569 N ALA A 103 11.251 0.060 3.047 1.00 0.00 N ATOM 1570 CA ALA A 103 10.294 1.158 2.984 1.00 0.00 C ATOM 1571 C ALA A 103 10.356 2.012 4.245 1.00 0.00 C ATOM 1572 O ALA A 103 10.327 3.241 4.177 1.00 0.00 O ATOM 1573 CB ALA A 103 8.886 0.620 2.777 1.00 0.00 C ATOM 0 H ALA A 103 10.834 -0.868 2.971 1.00 0.00 H new ATOM 0 HA ALA A 103 10.558 1.789 2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.182 1.451 2.732 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.845 0.058 1.844 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.621 -0.035 3.607 1.00 0.00 H new ATOM 1579 N PHE A 104 10.441 1.354 5.397 1.00 0.00 N ATOM 1580 CA PHE A 104 10.504 2.054 6.675 1.00 0.00 C ATOM 1581 C PHE A 104 11.245 1.219 7.715 1.00 0.00 C ATOM 1582 O PHE A 104 11.096 -0.001 7.766 1.00 0.00 O ATOM 1583 CB PHE A 104 9.095 2.379 7.173 1.00 0.00 C ATOM 1584 CG PHE A 104 8.347 3.327 6.280 1.00 0.00 C ATOM 1585 CD1 PHE A 104 7.631 2.856 5.191 1.00 0.00 C ATOM 1586 CD2 PHE A 104 8.359 4.690 6.530 1.00 0.00 C ATOM 1587 CE1 PHE A 104 6.943 3.726 4.368 1.00 0.00 C ATOM 1588 CE2 PHE A 104 7.672 5.565 5.710 1.00 0.00 C ATOM 1589 CZ PHE A 104 6.962 5.083 4.628 1.00 0.00 C ATOM 0 H PHE A 104 10.468 0.337 5.472 1.00 0.00 H new ATOM 0 HA PHE A 104 11.051 2.985 6.525 1.00 0.00 H new ATOM 0 HB2 PHE A 104 8.527 1.453 7.263 1.00 0.00 H new ATOM 0 HB3 PHE A 104 9.162 2.810 8.172 1.00 0.00 H new ATOM 0 HD1 PHE A 104 7.611 1.796 4.983 1.00 0.00 H new ATOM 0 HD2 PHE A 104 8.912 5.073 7.375 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.390 3.346 3.522 1.00 0.00 H new ATOM 0 HE2 PHE A 104 7.690 6.625 5.915 1.00 0.00 H new ATOM 0 HZ PHE A 104 6.423 5.765 3.987 1.00 0.00 H new TER 1599 PHE A 104