USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 599 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 Single : A 7 SER OG : rot 27:sc= 0.194 USER MOD Single : A 11 ASN : amide:sc= -0.0439 K(o=-0.044,f=-1.7!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.386 K(o=-0.39,f=-1.2) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 79:sc= -0.732! USER MOD Single : A 27 TYR OH : rot 150:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= 0.852 K(o=0.85,f=-3.8!) USER MOD Single : A 35 THR OG1 : rot 8:sc= 1.98 USER MOD Single : A 40 MET CE :methyl -134:sc= -0.957 (180deg=-2.01) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.065 K(o=-0.065,f=-2.1) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 1.18 K(o=1.2,f=-1.5!) USER MOD Single : A 65 ASN : amide:sc= -1.63! C(o=-1.6!,f=-4.2!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 155:sc= 1.28 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0.49 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 7 12.515 23.108 30.002 1.00 0.00 N ATOM 2 CA SER A 7 11.156 22.651 29.753 1.00 0.00 C ATOM 3 C SER A 7 11.145 21.570 28.688 1.00 0.00 C ATOM 4 O SER A 7 11.871 21.653 27.687 1.00 0.00 O ATOM 5 CB SER A 7 10.315 23.841 29.304 1.00 0.00 C ATOM 6 OG SER A 7 10.404 24.881 30.264 1.00 0.00 O ATOM 0 HA SER A 7 10.740 22.228 30.667 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.662 24.198 28.334 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.276 23.537 29.179 1.00 0.00 H new ATOM 0 HG SER A 7 11.255 24.810 30.745 1.00 0.00 H new ATOM 12 N GLY A 8 10.373 20.541 28.925 1.00 0.00 N ATOM 13 CA GLY A 8 10.184 19.499 27.959 1.00 0.00 C ATOM 14 C GLY A 8 8.806 18.967 28.168 1.00 0.00 C ATOM 15 O GLY A 8 8.596 18.035 28.945 1.00 0.00 O ATOM 0 H GLY A 8 9.859 20.405 29.795 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.301 19.884 26.946 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.927 18.712 28.088 1.00 0.00 H new ATOM 19 N ARG A 9 7.857 19.573 27.510 1.00 0.00 N ATOM 20 CA ARG A 9 6.486 19.221 27.733 1.00 0.00 C ATOM 21 C ARG A 9 5.801 18.817 26.459 1.00 0.00 C ATOM 22 O ARG A 9 5.652 19.618 25.524 1.00 0.00 O ATOM 23 CB ARG A 9 5.712 20.360 28.394 1.00 0.00 C ATOM 24 CG ARG A 9 6.344 20.881 29.671 1.00 0.00 C ATOM 25 CD ARG A 9 5.409 21.818 30.397 1.00 0.00 C ATOM 26 NE ARG A 9 4.236 21.112 30.926 1.00 0.00 N ATOM 27 CZ ARG A 9 3.112 21.698 31.345 1.00 0.00 C ATOM 28 NH1 ARG A 9 2.950 23.012 31.210 1.00 0.00 N ATOM 29 NH2 ARG A 9 2.144 20.966 31.876 1.00 0.00 N ATOM 0 H ARG A 9 8.008 20.308 26.819 1.00 0.00 H new ATOM 0 HA ARG A 9 6.493 18.366 28.409 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.621 21.183 27.685 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.701 20.017 28.615 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.602 20.044 30.320 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.273 21.400 29.435 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.942 22.302 31.215 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.084 22.606 29.718 1.00 0.00 H new ATOM 0 HE ARG A 9 4.283 20.094 30.978 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.686 23.576 30.785 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.090 23.455 31.532 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.258 19.956 31.964 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.285 21.412 32.197 1.00 0.00 H new ATOM 43 N GLU A 10 5.426 17.573 26.417 1.00 0.00 N ATOM 44 CA GLU A 10 4.646 17.028 25.356 1.00 0.00 C ATOM 45 C GLU A 10 3.720 16.004 25.956 1.00 0.00 C ATOM 46 O GLU A 10 4.003 15.448 27.020 1.00 0.00 O ATOM 47 CB GLU A 10 5.480 16.402 24.215 1.00 0.00 C ATOM 48 CG GLU A 10 6.404 15.244 24.592 1.00 0.00 C ATOM 49 CD GLU A 10 7.626 15.672 25.370 1.00 0.00 C ATOM 50 OE1 GLU A 10 8.630 16.065 24.739 1.00 0.00 O ATOM 51 OE2 GLU A 10 7.616 15.613 26.614 1.00 0.00 O ATOM 0 H GLU A 10 5.663 16.895 27.141 1.00 0.00 H new ATOM 0 HA GLU A 10 4.098 17.844 24.886 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.793 16.051 23.445 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.087 17.189 23.767 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.843 14.520 25.183 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.723 14.734 23.683 1.00 0.00 H new ATOM 58 N ASN A 11 2.604 15.812 25.329 1.00 0.00 N ATOM 59 CA ASN A 11 1.671 14.797 25.734 1.00 0.00 C ATOM 60 C ASN A 11 1.269 14.134 24.446 1.00 0.00 C ATOM 61 O ASN A 11 0.373 14.599 23.741 1.00 0.00 O ATOM 62 CB ASN A 11 0.462 15.401 26.470 1.00 0.00 C ATOM 63 CG ASN A 11 -0.450 14.370 27.124 1.00 0.00 C ATOM 64 OD1 ASN A 11 -0.578 13.232 26.676 1.00 0.00 O ATOM 65 ND2 ASN A 11 -1.089 14.762 28.203 1.00 0.00 N ATOM 0 H ASN A 11 2.308 16.354 24.517 1.00 0.00 H new ATOM 0 HA ASN A 11 2.104 14.091 26.443 1.00 0.00 H new ATOM 0 HB2 ASN A 11 0.823 16.088 27.236 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -0.122 15.990 25.763 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.710 14.116 28.691 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.964 15.712 28.553 1.00 0.00 H new ATOM 72 N LEU A 12 2.014 13.123 24.083 1.00 0.00 N ATOM 73 CA LEU A 12 1.799 12.461 22.822 1.00 0.00 C ATOM 74 C LEU A 12 0.739 11.398 22.929 1.00 0.00 C ATOM 75 O LEU A 12 0.396 10.943 24.023 1.00 0.00 O ATOM 76 CB LEU A 12 3.118 11.934 22.229 1.00 0.00 C ATOM 77 CG LEU A 12 3.952 10.975 23.087 1.00 0.00 C ATOM 78 CD1 LEU A 12 3.378 9.567 23.162 1.00 0.00 C ATOM 79 CD2 LEU A 12 5.401 10.965 22.648 1.00 0.00 C ATOM 0 H LEU A 12 2.776 12.739 24.643 1.00 0.00 H new ATOM 0 HA LEU A 12 1.420 13.201 22.117 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.886 11.429 21.291 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.742 12.793 21.983 1.00 0.00 H new ATOM 0 HG LEU A 12 3.906 11.364 24.104 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.020 8.945 23.785 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.378 9.604 23.595 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.324 9.142 22.160 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.966 10.276 23.275 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.464 10.644 21.608 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.817 11.968 22.744 1.00 0.00 H new ATOM 91 N TYR A 13 0.257 11.000 21.795 1.00 0.00 N ATOM 92 CA TYR A 13 -0.790 10.024 21.688 1.00 0.00 C ATOM 93 C TYR A 13 -0.505 9.009 20.617 1.00 0.00 C ATOM 94 O TYR A 13 0.100 9.311 19.585 1.00 0.00 O ATOM 95 CB TYR A 13 -2.155 10.672 21.422 1.00 0.00 C ATOM 96 CG TYR A 13 -2.889 11.102 22.665 1.00 0.00 C ATOM 97 CD1 TYR A 13 -3.921 10.321 23.159 1.00 0.00 C ATOM 98 CD2 TYR A 13 -2.552 12.259 23.354 1.00 0.00 C ATOM 99 CE1 TYR A 13 -4.597 10.675 24.299 1.00 0.00 C ATOM 100 CE2 TYR A 13 -3.227 12.622 24.497 1.00 0.00 C ATOM 101 CZ TYR A 13 -4.249 11.823 24.965 1.00 0.00 C ATOM 102 OH TYR A 13 -4.918 12.167 26.117 1.00 0.00 O ATOM 0 H TYR A 13 0.585 11.350 20.895 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.825 9.517 22.652 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.013 11.541 20.779 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.778 9.967 20.872 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.198 9.417 22.637 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.750 12.882 22.988 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.399 10.054 24.670 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.958 13.526 25.024 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.553 13.006 26.469 1.00 0.00 H new ATOM 112 N PHE A 14 -0.906 7.803 20.905 1.00 0.00 N ATOM 113 CA PHE A 14 -0.884 6.714 19.968 1.00 0.00 C ATOM 114 C PHE A 14 -2.269 6.123 20.002 1.00 0.00 C ATOM 115 O PHE A 14 -2.688 5.580 21.022 1.00 0.00 O ATOM 116 CB PHE A 14 0.163 5.641 20.303 1.00 0.00 C ATOM 117 CG PHE A 14 1.591 6.090 20.170 1.00 0.00 C ATOM 118 CD1 PHE A 14 2.361 6.348 21.288 1.00 0.00 C ATOM 119 CD2 PHE A 14 2.161 6.248 18.916 1.00 0.00 C ATOM 120 CE1 PHE A 14 3.674 6.756 21.161 1.00 0.00 C ATOM 121 CE2 PHE A 14 3.473 6.659 18.783 1.00 0.00 C ATOM 122 CZ PHE A 14 4.230 6.912 19.907 1.00 0.00 C ATOM 0 H PHE A 14 -1.267 7.543 21.823 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.604 7.082 18.981 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.002 5.299 21.325 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.005 4.783 19.650 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.931 6.229 22.272 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.572 6.047 18.033 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.266 6.953 22.043 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.905 6.782 17.801 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.257 7.232 19.807 1.00 0.00 H new ATOM 132 N GLN A 15 -3.003 6.318 18.939 1.00 0.00 N ATOM 133 CA GLN A 15 -4.350 5.815 18.828 1.00 0.00 C ATOM 134 C GLN A 15 -4.470 5.182 17.469 1.00 0.00 C ATOM 135 O GLN A 15 -3.612 5.433 16.603 1.00 0.00 O ATOM 136 CB GLN A 15 -5.385 6.937 18.970 1.00 0.00 C ATOM 137 CG GLN A 15 -5.368 7.644 20.314 1.00 0.00 C ATOM 138 CD GLN A 15 -6.395 8.748 20.397 1.00 0.00 C ATOM 139 OE1 GLN A 15 -6.125 9.903 20.069 1.00 0.00 O ATOM 140 NE2 GLN A 15 -7.583 8.406 20.830 1.00 0.00 N ATOM 0 H GLN A 15 -2.683 6.834 18.119 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.545 5.098 19.626 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.214 7.673 18.184 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.379 6.520 18.806 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.554 6.918 21.106 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.376 8.060 20.490 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.771 7.439 21.093 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.320 9.107 20.904 1.00 0.00 H new ATOM 149 N GLY A 16 -5.504 4.398 17.281 1.00 0.00 N ATOM 150 CA GLY A 16 -5.723 3.709 16.034 1.00 0.00 C ATOM 151 C GLY A 16 -6.175 4.669 14.968 1.00 0.00 C ATOM 152 O GLY A 16 -7.366 4.934 14.812 1.00 0.00 O ATOM 0 H GLY A 16 -6.217 4.220 17.989 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.804 3.215 15.719 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.473 2.930 16.170 1.00 0.00 H new ATOM 156 N HIS A 17 -5.211 5.224 14.279 1.00 0.00 N ATOM 157 CA HIS A 17 -5.465 6.163 13.219 1.00 0.00 C ATOM 158 C HIS A 17 -5.437 5.436 11.901 1.00 0.00 C ATOM 159 O HIS A 17 -4.802 4.373 11.787 1.00 0.00 O ATOM 160 CB HIS A 17 -4.408 7.285 13.187 1.00 0.00 C ATOM 161 CG HIS A 17 -4.369 8.179 14.392 1.00 0.00 C ATOM 162 ND1 HIS A 17 -3.376 9.110 14.626 1.00 0.00 N ATOM 163 CD2 HIS A 17 -5.231 8.290 15.431 1.00 0.00 C ATOM 164 CE1 HIS A 17 -3.660 9.740 15.770 1.00 0.00 C ATOM 165 NE2 HIS A 17 -4.780 9.280 16.299 1.00 0.00 N ATOM 0 H HIS A 17 -4.222 5.035 14.440 1.00 0.00 H new ATOM 0 HA HIS A 17 -6.441 6.615 13.396 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.425 6.830 13.064 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.586 7.902 12.306 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.127 7.703 15.565 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -3.054 10.522 16.204 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.223 9.587 17.165 1.00 0.00 H new ATOM 173 N MET A 18 -6.118 5.994 10.924 1.00 0.00 N ATOM 174 CA MET A 18 -6.102 5.454 9.581 1.00 0.00 C ATOM 175 C MET A 18 -4.803 5.966 8.941 1.00 0.00 C ATOM 176 O MET A 18 -4.142 6.793 9.582 1.00 0.00 O ATOM 177 CB MET A 18 -7.351 5.920 8.814 1.00 0.00 C ATOM 178 CG MET A 18 -7.705 5.035 7.630 1.00 0.00 C ATOM 179 SD MET A 18 -7.999 3.337 8.162 1.00 0.00 S ATOM 180 CE MET A 18 -8.284 2.506 6.599 1.00 0.00 C ATOM 0 H MET A 18 -6.694 6.828 11.036 1.00 0.00 H new ATOM 0 HA MET A 18 -6.126 4.364 9.568 1.00 0.00 H new ATOM 0 HB2 MET A 18 -8.198 5.950 9.500 1.00 0.00 H new ATOM 0 HB3 MET A 18 -7.191 6.938 8.460 1.00 0.00 H new ATOM 0 HG2 MET A 18 -8.594 5.424 7.133 1.00 0.00 H new ATOM 0 HG3 MET A 18 -6.896 5.057 6.900 1.00 0.00 H new ATOM 0 HE1 MET A 18 -8.479 1.449 6.779 1.00 0.00 H new ATOM 0 HE2 MET A 18 -9.144 2.954 6.100 1.00 0.00 H new ATOM 0 HE3 MET A 18 -7.403 2.610 5.966 1.00 0.00 H new ATOM 190 N ALA A 19 -4.490 5.543 7.699 1.00 0.00 N ATOM 191 CA ALA A 19 -3.218 5.825 6.979 1.00 0.00 C ATOM 192 C ALA A 19 -2.546 7.138 7.377 1.00 0.00 C ATOM 193 O ALA A 19 -2.948 8.232 6.955 1.00 0.00 O ATOM 194 CB ALA A 19 -3.446 5.809 5.475 1.00 0.00 C ATOM 0 H ALA A 19 -5.133 4.976 7.146 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.536 5.028 7.274 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.507 6.017 4.962 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.815 4.829 5.173 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.180 6.570 5.210 1.00 0.00 H new ATOM 200 N ALA A 20 -1.590 6.999 8.271 1.00 0.00 N ATOM 201 CA ALA A 20 -0.834 8.089 8.835 1.00 0.00 C ATOM 202 C ALA A 20 0.592 8.013 8.336 1.00 0.00 C ATOM 203 O ALA A 20 0.996 6.975 7.799 1.00 0.00 O ATOM 204 CB ALA A 20 -0.863 7.966 10.359 1.00 0.00 C ATOM 0 H ALA A 20 -1.310 6.089 8.636 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.265 9.045 8.538 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.295 8.784 10.801 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.895 8.011 10.708 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.420 7.015 10.656 1.00 0.00 H new ATOM 210 N PRO A 21 1.390 9.089 8.460 1.00 0.00 N ATOM 211 CA PRO A 21 2.797 9.011 8.142 1.00 0.00 C ATOM 212 C PRO A 21 3.498 8.172 9.198 1.00 0.00 C ATOM 213 O PRO A 21 3.931 8.658 10.240 1.00 0.00 O ATOM 214 CB PRO A 21 3.295 10.457 8.191 1.00 0.00 C ATOM 215 CG PRO A 21 2.062 11.285 8.206 1.00 0.00 C ATOM 216 CD PRO A 21 1.002 10.449 8.859 1.00 0.00 C ATOM 0 HA PRO A 21 2.989 8.553 7.172 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.902 10.636 9.078 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.917 10.690 7.327 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.222 12.211 8.758 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.769 11.564 7.194 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.998 10.570 9.942 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.004 10.708 8.506 1.00 0.00 H new ATOM 224 N ALA A 22 3.522 6.891 8.943 1.00 0.00 N ATOM 225 CA ALA A 22 4.157 5.931 9.831 1.00 0.00 C ATOM 226 C ALA A 22 5.503 5.551 9.271 1.00 0.00 C ATOM 227 O ALA A 22 6.181 4.658 9.737 1.00 0.00 O ATOM 228 CB ALA A 22 3.260 4.727 10.015 1.00 0.00 C ATOM 0 H ALA A 22 3.102 6.474 8.112 1.00 0.00 H new ATOM 0 HA ALA A 22 4.313 6.374 10.815 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.743 4.012 10.682 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.311 5.043 10.448 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.079 4.257 9.048 1.00 0.00 H new ATOM 234 N ARG A 23 5.836 6.285 8.247 1.00 0.00 N ATOM 235 CA ARG A 23 7.078 6.215 7.499 1.00 0.00 C ATOM 236 C ARG A 23 7.472 4.794 7.058 1.00 0.00 C ATOM 237 O ARG A 23 8.646 4.436 6.990 1.00 0.00 O ATOM 238 CB ARG A 23 8.200 6.961 8.220 1.00 0.00 C ATOM 239 CG ARG A 23 7.819 8.395 8.552 1.00 0.00 C ATOM 240 CD ARG A 23 9.002 9.208 9.026 1.00 0.00 C ATOM 241 NE ARG A 23 9.938 9.514 7.940 1.00 0.00 N ATOM 242 CZ ARG A 23 11.262 9.629 8.083 1.00 0.00 C ATOM 243 NH1 ARG A 23 11.821 9.419 9.270 1.00 0.00 N ATOM 244 NH2 ARG A 23 12.020 9.965 7.046 1.00 0.00 N ATOM 0 H ARG A 23 5.209 7.001 7.880 1.00 0.00 H new ATOM 0 HA ARG A 23 6.897 6.735 6.558 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.453 6.432 9.139 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.094 6.960 7.596 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.387 8.867 7.670 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.049 8.395 9.323 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.647 10.138 9.469 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.525 8.661 9.810 1.00 0.00 H new ATOM 0 HE ARG A 23 9.550 9.649 7.006 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.240 9.170 10.071 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.831 9.506 9.381 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.592 10.136 6.136 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.030 10.052 7.159 1.00 0.00 H new ATOM 258 N SER A 24 6.481 4.008 6.682 1.00 0.00 N ATOM 259 CA SER A 24 6.680 2.680 6.137 1.00 0.00 C ATOM 260 C SER A 24 5.470 2.307 5.295 1.00 0.00 C ATOM 261 O SER A 24 4.351 2.590 5.701 1.00 0.00 O ATOM 262 CB SER A 24 6.830 1.662 7.263 1.00 0.00 C ATOM 263 OG SER A 24 7.941 1.959 8.084 1.00 0.00 O ATOM 0 H SER A 24 5.500 4.279 6.748 1.00 0.00 H new ATOM 0 HA SER A 24 7.585 2.676 5.529 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.923 1.649 7.867 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.945 0.664 6.840 1.00 0.00 H new ATOM 0 HG SER A 24 7.706 2.680 8.705 1.00 0.00 H new ATOM 269 N CYS A 25 5.696 1.683 4.161 1.00 0.00 N ATOM 270 CA CYS A 25 4.648 1.206 3.303 1.00 0.00 C ATOM 271 C CYS A 25 4.642 -0.285 3.431 1.00 0.00 C ATOM 272 O CYS A 25 5.693 -0.928 3.399 1.00 0.00 O ATOM 273 CB CYS A 25 4.893 1.589 1.848 1.00 0.00 C ATOM 274 SG CYS A 25 4.772 3.366 1.527 1.00 0.00 S ATOM 0 H CYS A 25 6.633 1.492 3.807 1.00 0.00 H new ATOM 0 HA CYS A 25 3.696 1.649 3.595 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.884 1.243 1.553 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.173 1.066 1.219 1.00 0.00 H new ATOM 279 N VAL A 26 3.487 -0.825 3.639 1.00 0.00 N ATOM 280 CA VAL A 26 3.338 -2.233 3.857 1.00 0.00 C ATOM 281 C VAL A 26 2.644 -2.786 2.652 1.00 0.00 C ATOM 282 O VAL A 26 1.548 -2.342 2.314 1.00 0.00 O ATOM 283 CB VAL A 26 2.499 -2.471 5.117 1.00 0.00 C ATOM 284 CG1 VAL A 26 2.691 -3.842 5.670 1.00 0.00 C ATOM 285 CG2 VAL A 26 2.849 -1.464 6.138 1.00 0.00 C ATOM 0 H VAL A 26 2.612 -0.302 3.663 1.00 0.00 H new ATOM 0 HA VAL A 26 4.303 -2.720 4.001 1.00 0.00 H new ATOM 0 HB VAL A 26 1.449 -2.377 4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.076 -3.964 6.562 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.397 -4.580 4.923 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.740 -3.986 5.930 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.253 -1.633 7.035 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.907 -1.549 6.385 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.646 -0.466 5.749 1.00 0.00 H new ATOM 295 N TYR A 27 3.297 -3.702 1.993 1.00 0.00 N ATOM 296 CA TYR A 27 2.794 -4.252 0.763 1.00 0.00 C ATOM 297 C TYR A 27 2.023 -5.512 1.035 1.00 0.00 C ATOM 298 O TYR A 27 2.483 -6.407 1.757 1.00 0.00 O ATOM 299 CB TYR A 27 3.925 -4.479 -0.248 1.00 0.00 C ATOM 300 CG TYR A 27 4.585 -3.183 -0.682 1.00 0.00 C ATOM 301 CD1 TYR A 27 4.388 -2.665 -1.954 1.00 0.00 C ATOM 302 CD2 TYR A 27 5.377 -2.459 0.197 1.00 0.00 C ATOM 303 CE1 TYR A 27 4.963 -1.464 -2.326 1.00 0.00 C ATOM 304 CE2 TYR A 27 5.953 -1.268 -0.171 1.00 0.00 C ATOM 305 CZ TYR A 27 5.743 -0.773 -1.430 1.00 0.00 C ATOM 306 OH TYR A 27 6.310 0.425 -1.795 1.00 0.00 O ATOM 0 H TYR A 27 4.192 -4.089 2.292 1.00 0.00 H new ATOM 0 HA TYR A 27 2.110 -3.532 0.314 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.675 -5.135 0.192 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.528 -4.992 -1.124 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.778 -3.206 -2.662 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.544 -2.841 1.193 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.800 -1.070 -3.318 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.569 -0.724 0.530 1.00 0.00 H new ATOM 0 HH TYR A 27 6.404 0.997 -1.005 1.00 0.00 H new ATOM 316 N TYR A 28 0.843 -5.537 0.503 1.00 0.00 N ATOM 317 CA TYR A 28 -0.058 -6.626 0.619 1.00 0.00 C ATOM 318 C TYR A 28 -0.464 -7.088 -0.763 1.00 0.00 C ATOM 319 O TYR A 28 -0.557 -6.289 -1.697 1.00 0.00 O ATOM 320 CB TYR A 28 -1.331 -6.202 1.341 1.00 0.00 C ATOM 321 CG TYR A 28 -1.212 -5.812 2.804 1.00 0.00 C ATOM 322 CD1 TYR A 28 -1.502 -6.730 3.802 1.00 0.00 C ATOM 323 CD2 TYR A 28 -0.862 -4.525 3.191 1.00 0.00 C ATOM 324 CE1 TYR A 28 -1.452 -6.388 5.135 1.00 0.00 C ATOM 325 CE2 TYR A 28 -0.799 -4.179 4.523 1.00 0.00 C ATOM 326 CZ TYR A 28 -1.099 -5.106 5.492 1.00 0.00 C ATOM 327 OH TYR A 28 -1.054 -4.740 6.825 1.00 0.00 O ATOM 0 H TYR A 28 0.470 -4.763 -0.047 1.00 0.00 H new ATOM 0 HA TYR A 28 0.443 -7.418 1.176 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.758 -5.357 0.801 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.047 -7.021 1.269 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.774 -7.738 3.527 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.636 -3.785 2.437 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.688 -7.119 5.894 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.513 -3.177 4.806 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.786 -3.800 6.897 1.00 0.00 H new ATOM 337 N ASP A 29 -0.666 -8.365 -0.880 1.00 0.00 N ATOM 338 CA ASP A 29 -1.207 -8.971 -2.086 1.00 0.00 C ATOM 339 C ASP A 29 -2.668 -9.158 -1.800 1.00 0.00 C ATOM 340 O ASP A 29 -3.018 -9.942 -0.929 1.00 0.00 O ATOM 341 CB ASP A 29 -0.570 -10.340 -2.301 1.00 0.00 C ATOM 342 CG ASP A 29 -1.055 -11.144 -3.522 1.00 0.00 C ATOM 343 OD1 ASP A 29 -0.211 -11.652 -4.307 1.00 0.00 O ATOM 344 OD2 ASP A 29 -2.275 -11.336 -3.717 1.00 0.00 O ATOM 0 H ASP A 29 -0.461 -9.035 -0.138 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.022 -8.362 -2.971 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.508 -10.204 -2.389 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.743 -10.940 -1.408 1.00 0.00 H new ATOM 349 N GLY A 30 -3.504 -8.391 -2.423 1.00 0.00 N ATOM 350 CA GLY A 30 -4.902 -8.550 -2.193 1.00 0.00 C ATOM 351 C GLY A 30 -5.725 -7.765 -3.148 1.00 0.00 C ATOM 352 O GLY A 30 -5.485 -6.580 -3.389 1.00 0.00 O ATOM 0 H GLY A 30 -3.248 -7.659 -3.085 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.163 -9.605 -2.274 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.138 -8.241 -1.175 1.00 0.00 H new ATOM 356 N HIS A 31 -6.725 -8.430 -3.645 1.00 0.00 N ATOM 357 CA HIS A 31 -7.646 -7.879 -4.619 1.00 0.00 C ATOM 358 C HIS A 31 -8.500 -6.860 -3.884 1.00 0.00 C ATOM 359 O HIS A 31 -8.678 -5.721 -4.314 1.00 0.00 O ATOM 360 CB HIS A 31 -8.529 -9.002 -5.193 1.00 0.00 C ATOM 361 CG HIS A 31 -7.763 -10.204 -5.673 1.00 0.00 C ATOM 362 ND1 HIS A 31 -7.996 -11.486 -5.226 1.00 0.00 N ATOM 363 CD2 HIS A 31 -6.739 -10.302 -6.560 1.00 0.00 C ATOM 364 CE1 HIS A 31 -7.128 -12.301 -5.827 1.00 0.00 C ATOM 365 NE2 HIS A 31 -6.336 -11.632 -6.649 1.00 0.00 N ATOM 0 H HIS A 31 -6.936 -9.393 -3.385 1.00 0.00 H new ATOM 0 HA HIS A 31 -7.115 -7.413 -5.450 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.238 -9.319 -4.428 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.113 -8.602 -6.022 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -8.709 -11.764 -4.552 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -6.306 -9.479 -7.109 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -7.078 -13.367 -5.664 1.00 0.00 H new ATOM 373 N LEU A 32 -8.976 -7.289 -2.735 1.00 0.00 N ATOM 374 CA LEU A 32 -9.760 -6.476 -1.833 1.00 0.00 C ATOM 375 C LEU A 32 -8.990 -6.425 -0.523 1.00 0.00 C ATOM 376 O LEU A 32 -8.120 -7.282 -0.299 1.00 0.00 O ATOM 377 CB LEU A 32 -11.150 -7.110 -1.561 1.00 0.00 C ATOM 378 CG LEU A 32 -12.199 -7.142 -2.687 1.00 0.00 C ATOM 379 CD1 LEU A 32 -12.446 -5.757 -3.259 1.00 0.00 C ATOM 380 CD2 LEU A 32 -11.881 -8.155 -3.777 1.00 0.00 C ATOM 0 H LEU A 32 -8.824 -8.238 -2.394 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.921 -5.489 -2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.983 -8.138 -1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.592 -6.580 -0.717 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.126 -7.482 -2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.192 -5.818 -4.051 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.807 -5.097 -2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.516 -5.360 -3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.660 -8.126 -4.539 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.920 -7.912 -4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.835 -9.154 -3.343 1.00 0.00 H new ATOM 392 N PRO A 33 -9.269 -5.463 0.374 1.00 0.00 N ATOM 393 CA PRO A 33 -8.642 -5.419 1.702 1.00 0.00 C ATOM 394 C PRO A 33 -9.011 -6.653 2.546 1.00 0.00 C ATOM 395 O PRO A 33 -8.398 -6.943 3.558 1.00 0.00 O ATOM 396 CB PRO A 33 -9.169 -4.129 2.340 1.00 0.00 C ATOM 397 CG PRO A 33 -10.351 -3.729 1.526 1.00 0.00 C ATOM 398 CD PRO A 33 -10.151 -4.297 0.152 1.00 0.00 C ATOM 0 HA PRO A 33 -7.554 -5.430 1.637 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.448 -4.293 3.381 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -8.407 -3.349 2.333 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.271 -4.109 1.970 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.441 -2.644 1.485 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.098 -4.593 -0.300 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.691 -3.570 -0.518 1.00 0.00 H new ATOM 406 N ALA A 34 -10.008 -7.390 2.093 1.00 0.00 N ATOM 407 CA ALA A 34 -10.409 -8.633 2.728 1.00 0.00 C ATOM 408 C ALA A 34 -9.459 -9.765 2.336 1.00 0.00 C ATOM 409 O ALA A 34 -9.453 -10.822 2.951 1.00 0.00 O ATOM 410 CB ALA A 34 -11.822 -8.994 2.305 1.00 0.00 C ATOM 0 H ALA A 34 -10.564 -7.144 1.274 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.372 -8.497 3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.118 -9.927 2.784 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.506 -8.200 2.604 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.858 -9.115 1.222 1.00 0.00 H new ATOM 416 N THR A 35 -8.650 -9.533 1.316 1.00 0.00 N ATOM 417 CA THR A 35 -7.761 -10.566 0.805 1.00 0.00 C ATOM 418 C THR A 35 -6.287 -10.177 0.909 1.00 0.00 C ATOM 419 O THR A 35 -5.426 -10.899 0.425 1.00 0.00 O ATOM 420 CB THR A 35 -8.115 -10.898 -0.664 1.00 0.00 C ATOM 421 OG1 THR A 35 -8.146 -9.690 -1.450 1.00 0.00 O ATOM 422 CG2 THR A 35 -9.464 -11.586 -0.751 1.00 0.00 C ATOM 0 H THR A 35 -8.589 -8.641 0.825 1.00 0.00 H new ATOM 0 HA THR A 35 -7.908 -11.448 1.429 1.00 0.00 H new ATOM 0 HB THR A 35 -7.350 -11.570 -1.053 1.00 0.00 H new ATOM 0 HG1 THR A 35 -7.817 -8.940 -0.911 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.692 -11.810 -1.793 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.437 -12.513 -0.178 1.00 0.00 H new ATOM 0 HG23 THR A 35 -10.234 -10.930 -0.344 1.00 0.00 H new ATOM 430 N ARG A 36 -6.023 -9.039 1.544 1.00 0.00 N ATOM 431 CA ARG A 36 -4.667 -8.498 1.682 1.00 0.00 C ATOM 432 C ARG A 36 -3.724 -9.424 2.467 1.00 0.00 C ATOM 433 O ARG A 36 -3.925 -9.689 3.655 1.00 0.00 O ATOM 434 CB ARG A 36 -4.692 -7.059 2.247 1.00 0.00 C ATOM 435 CG ARG A 36 -5.392 -6.874 3.586 1.00 0.00 C ATOM 436 CD ARG A 36 -5.426 -5.404 4.010 1.00 0.00 C ATOM 437 NE ARG A 36 -6.323 -5.191 5.158 1.00 0.00 N ATOM 438 CZ ARG A 36 -6.647 -4.009 5.711 1.00 0.00 C ATOM 439 NH1 ARG A 36 -6.076 -2.878 5.309 1.00 0.00 N ATOM 440 NH2 ARG A 36 -7.542 -3.974 6.695 1.00 0.00 N ATOM 0 H ARG A 36 -6.742 -8.462 1.980 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.247 -8.446 0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.663 -6.713 2.348 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.176 -6.412 1.515 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.410 -7.257 3.520 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.880 -7.461 4.348 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.419 -5.076 4.269 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.756 -4.791 3.171 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.740 -6.023 5.575 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.377 -2.896 4.567 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.337 -1.993 5.743 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.974 -4.838 7.022 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.796 -3.083 7.122 1.00 0.00 H new ATOM 454 N VAL A 37 -2.716 -9.928 1.775 1.00 0.00 N ATOM 455 CA VAL A 37 -1.721 -10.834 2.325 1.00 0.00 C ATOM 456 C VAL A 37 -0.472 -10.030 2.607 1.00 0.00 C ATOM 457 O VAL A 37 0.010 -9.329 1.725 1.00 0.00 O ATOM 458 CB VAL A 37 -1.376 -11.963 1.318 1.00 0.00 C ATOM 459 CG1 VAL A 37 -0.325 -12.917 1.863 1.00 0.00 C ATOM 460 CG2 VAL A 37 -2.617 -12.733 0.914 1.00 0.00 C ATOM 0 H VAL A 37 -2.563 -9.713 0.790 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.113 -11.295 3.232 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.959 -11.477 0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.116 -13.690 1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.590 -12.365 2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.694 -13.381 2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.345 -13.518 0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.071 -13.182 1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.330 -12.054 0.445 1.00 0.00 H new ATOM 470 N LEU A 38 0.033 -10.127 3.818 1.00 0.00 N ATOM 471 CA LEU A 38 1.198 -9.370 4.243 1.00 0.00 C ATOM 472 C LEU A 38 2.420 -9.874 3.477 1.00 0.00 C ATOM 473 O LEU A 38 2.842 -11.019 3.657 1.00 0.00 O ATOM 474 CB LEU A 38 1.361 -9.542 5.775 1.00 0.00 C ATOM 475 CG LEU A 38 2.358 -8.645 6.549 1.00 0.00 C ATOM 476 CD1 LEU A 38 3.822 -8.907 6.209 1.00 0.00 C ATOM 477 CD2 LEU A 38 2.021 -7.184 6.354 1.00 0.00 C ATOM 0 H LEU A 38 -0.352 -10.735 4.541 1.00 0.00 H new ATOM 0 HA LEU A 38 1.084 -8.307 4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.378 -9.399 6.224 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.647 -10.578 5.957 1.00 0.00 H new ATOM 0 HG LEU A 38 2.243 -8.911 7.600 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.456 -8.239 6.792 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.071 -9.942 6.445 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.987 -8.728 5.147 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.733 -6.570 6.906 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.074 -6.937 5.294 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.013 -6.991 6.722 1.00 0.00 H new ATOM 489 N LEU A 39 2.946 -9.050 2.587 1.00 0.00 N ATOM 490 CA LEU A 39 4.122 -9.420 1.820 1.00 0.00 C ATOM 491 C LEU A 39 5.391 -8.983 2.524 1.00 0.00 C ATOM 492 O LEU A 39 6.208 -9.821 2.919 1.00 0.00 O ATOM 493 CB LEU A 39 4.079 -8.804 0.420 1.00 0.00 C ATOM 494 CG LEU A 39 2.913 -9.229 -0.464 1.00 0.00 C ATOM 495 CD1 LEU A 39 2.964 -8.490 -1.788 1.00 0.00 C ATOM 496 CD2 LEU A 39 2.959 -10.726 -0.693 1.00 0.00 C ATOM 0 H LEU A 39 2.578 -8.122 2.378 1.00 0.00 H new ATOM 0 HA LEU A 39 4.123 -10.506 1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.054 -7.719 0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.008 -9.054 -0.093 1.00 0.00 H new ATOM 0 HG LEU A 39 1.978 -8.979 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.126 -8.802 -2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.903 -7.417 -1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.900 -8.720 -2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.123 -11.023 -1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.896 -10.991 -1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.891 -11.243 0.264 1.00 0.00 H new ATOM 508 N MET A 40 5.536 -7.676 2.719 1.00 0.00 N ATOM 509 CA MET A 40 6.717 -7.116 3.335 1.00 0.00 C ATOM 510 C MET A 40 6.498 -5.639 3.648 1.00 0.00 C ATOM 511 O MET A 40 5.637 -4.986 3.044 1.00 0.00 O ATOM 512 CB MET A 40 7.898 -7.233 2.371 1.00 0.00 C ATOM 513 CG MET A 40 9.203 -7.236 3.110 1.00 0.00 C ATOM 514 SD MET A 40 10.660 -7.466 2.075 1.00 0.00 S ATOM 515 CE MET A 40 10.639 -5.943 1.139 1.00 0.00 C ATOM 0 H MET A 40 4.836 -6.984 2.453 1.00 0.00 H new ATOM 0 HA MET A 40 6.921 -7.661 4.256 1.00 0.00 H new ATOM 0 HB2 MET A 40 7.805 -8.149 1.788 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.879 -6.402 1.665 1.00 0.00 H new ATOM 0 HG2 MET A 40 9.302 -6.293 3.647 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.178 -8.028 3.859 1.00 0.00 H new ATOM 0 HE1 MET A 40 10.805 -6.162 0.084 1.00 0.00 H new ATOM 0 HE2 MET A 40 9.672 -5.455 1.260 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.427 -5.283 1.501 1.00 0.00 H new ATOM 525 N TYR A 41 7.262 -5.144 4.597 1.00 0.00 N ATOM 526 CA TYR A 41 7.279 -3.742 4.992 1.00 0.00 C ATOM 527 C TYR A 41 8.456 -3.052 4.308 1.00 0.00 C ATOM 528 O TYR A 41 9.530 -3.645 4.189 1.00 0.00 O ATOM 529 CB TYR A 41 7.470 -3.608 6.512 1.00 0.00 C ATOM 530 CG TYR A 41 6.327 -4.084 7.390 1.00 0.00 C ATOM 531 CD1 TYR A 41 5.532 -3.165 8.051 1.00 0.00 C ATOM 532 CD2 TYR A 41 6.047 -5.435 7.573 1.00 0.00 C ATOM 533 CE1 TYR A 41 4.497 -3.573 8.863 1.00 0.00 C ATOM 534 CE2 TYR A 41 5.007 -5.849 8.385 1.00 0.00 C ATOM 535 CZ TYR A 41 4.236 -4.907 9.027 1.00 0.00 C ATOM 536 OH TYR A 41 3.197 -5.294 9.843 1.00 0.00 O ATOM 0 H TYR A 41 7.910 -5.719 5.135 1.00 0.00 H new ATOM 0 HA TYR A 41 6.331 -3.288 4.703 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.366 -4.161 6.792 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.659 -2.559 6.739 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.726 -2.110 7.928 1.00 0.00 H new ATOM 0 HD2 TYR A 41 6.654 -6.174 7.071 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.890 -2.839 9.372 1.00 0.00 H new ATOM 0 HE2 TYR A 41 4.802 -6.901 8.514 1.00 0.00 H new ATOM 0 HH TYR A 41 3.138 -6.272 9.856 1.00 0.00 H new ATOM 546 N VAL A 42 8.248 -1.843 3.828 1.00 0.00 N ATOM 547 CA VAL A 42 9.297 -1.042 3.217 1.00 0.00 C ATOM 548 C VAL A 42 9.303 0.314 3.905 1.00 0.00 C ATOM 549 O VAL A 42 8.263 0.933 4.031 1.00 0.00 O ATOM 550 CB VAL A 42 9.073 -0.840 1.701 1.00 0.00 C ATOM 551 CG1 VAL A 42 10.229 -0.071 1.066 1.00 0.00 C ATOM 552 CG2 VAL A 42 8.889 -2.178 1.012 1.00 0.00 C ATOM 0 H VAL A 42 7.339 -1.382 3.850 1.00 0.00 H new ATOM 0 HA VAL A 42 10.248 -1.562 3.336 1.00 0.00 H new ATOM 0 HB VAL A 42 8.167 -0.248 1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.041 0.054 -0.000 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.316 0.908 1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.156 -0.626 1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.732 -2.019 -0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.779 -2.789 1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.023 -2.688 1.434 1.00 0.00 H new ATOM 562 N ARG A 43 10.444 0.754 4.365 1.00 0.00 N ATOM 563 CA ARG A 43 10.568 2.013 5.071 1.00 0.00 C ATOM 564 C ARG A 43 10.477 3.146 4.053 1.00 0.00 C ATOM 565 O ARG A 43 11.016 3.025 2.948 1.00 0.00 O ATOM 566 CB ARG A 43 11.928 2.040 5.767 1.00 0.00 C ATOM 567 CG ARG A 43 11.973 2.716 7.126 1.00 0.00 C ATOM 568 CD ARG A 43 11.028 2.015 8.089 1.00 0.00 C ATOM 569 NE ARG A 43 11.380 2.210 9.495 1.00 0.00 N ATOM 570 CZ ARG A 43 10.628 1.839 10.544 1.00 0.00 C ATOM 571 NH1 ARG A 43 9.340 1.530 10.393 1.00 0.00 N ATOM 572 NH2 ARG A 43 11.157 1.829 11.753 1.00 0.00 N ATOM 0 H ARG A 43 11.324 0.249 4.262 1.00 0.00 H new ATOM 0 HA ARG A 43 9.778 2.128 5.813 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.273 1.013 5.884 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.639 2.543 5.111 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.989 2.692 7.519 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.693 3.765 7.029 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.015 2.380 7.922 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.023 0.948 7.868 1.00 0.00 H new ATOM 0 HE ARG A 43 12.270 2.665 9.695 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.910 1.573 9.469 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.784 1.250 11.201 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.131 2.102 11.886 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.592 1.548 12.555 1.00 0.00 H new ATOM 586 N ILE A 44 9.761 4.204 4.397 1.00 0.00 N ATOM 587 CA ILE A 44 9.646 5.371 3.492 1.00 0.00 C ATOM 588 C ILE A 44 11.023 5.953 3.216 1.00 0.00 C ATOM 589 O ILE A 44 11.754 6.352 4.126 1.00 0.00 O ATOM 590 CB ILE A 44 8.727 6.533 3.992 1.00 0.00 C ATOM 591 CG1 ILE A 44 7.284 6.086 4.185 1.00 0.00 C ATOM 592 CG2 ILE A 44 8.764 7.745 3.055 1.00 0.00 C ATOM 593 CD1 ILE A 44 6.539 5.624 2.974 1.00 0.00 C ATOM 0 H ILE A 44 9.253 4.294 5.277 1.00 0.00 H new ATOM 0 HA ILE A 44 9.173 4.967 2.597 1.00 0.00 H new ATOM 0 HB ILE A 44 9.131 6.829 4.960 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.277 5.276 4.914 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.730 6.916 4.625 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.110 8.526 3.444 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.784 8.124 2.991 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.424 7.448 2.063 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.527 5.336 3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.496 6.432 2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.051 4.767 2.537 1.00 0.00 H new ATOM 605 N GLY A 45 11.358 5.969 1.968 1.00 0.00 N ATOM 606 CA GLY A 45 12.593 6.525 1.509 1.00 0.00 C ATOM 607 C GLY A 45 13.484 5.451 0.961 1.00 0.00 C ATOM 608 O GLY A 45 14.494 5.731 0.311 1.00 0.00 O ATOM 0 H GLY A 45 10.772 5.590 1.224 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.398 7.271 0.739 1.00 0.00 H new ATOM 0 HA3 GLY A 45 13.095 7.037 2.330 1.00 0.00 H new ATOM 612 N ASN A 46 13.090 4.225 1.202 1.00 0.00 N ATOM 613 CA ASN A 46 13.862 3.083 0.797 1.00 0.00 C ATOM 614 C ASN A 46 13.182 2.362 -0.347 1.00 0.00 C ATOM 615 O ASN A 46 11.973 2.501 -0.579 1.00 0.00 O ATOM 616 CB ASN A 46 14.031 2.161 1.991 1.00 0.00 C ATOM 617 CG ASN A 46 14.904 0.938 1.763 1.00 0.00 C ATOM 618 OD1 ASN A 46 15.851 0.977 0.982 1.00 0.00 O ATOM 619 ND2 ASN A 46 14.624 -0.143 2.451 1.00 0.00 N ATOM 0 H ASN A 46 12.222 3.993 1.686 1.00 0.00 H new ATOM 0 HA ASN A 46 14.842 3.407 0.447 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.453 2.737 2.814 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.044 1.825 2.310 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.199 -0.979 2.344 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.831 -0.148 3.093 1.00 0.00 H new ATOM 626 N THR A 47 13.966 1.619 -1.054 1.00 0.00 N ATOM 627 CA THR A 47 13.506 0.822 -2.147 1.00 0.00 C ATOM 628 C THR A 47 13.562 -0.624 -1.732 1.00 0.00 C ATOM 629 O THR A 47 14.378 -1.010 -0.885 1.00 0.00 O ATOM 630 CB THR A 47 14.367 1.010 -3.398 1.00 0.00 C ATOM 631 OG1 THR A 47 15.748 0.779 -3.091 1.00 0.00 O ATOM 632 CG2 THR A 47 14.198 2.388 -4.011 1.00 0.00 C ATOM 0 H THR A 47 14.969 1.546 -0.886 1.00 0.00 H new ATOM 0 HA THR A 47 12.490 1.130 -2.393 1.00 0.00 H new ATOM 0 HB THR A 47 14.028 0.280 -4.133 1.00 0.00 H new ATOM 0 HG1 THR A 47 16.288 0.901 -3.900 1.00 0.00 H new ATOM 0 HG21 THR A 47 14.829 2.473 -4.896 1.00 0.00 H new ATOM 0 HG22 THR A 47 13.156 2.535 -4.293 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.488 3.147 -3.285 1.00 0.00 H new ATOM 640 N ALA A 48 12.723 -1.419 -2.316 1.00 0.00 N ATOM 641 CA ALA A 48 12.688 -2.824 -1.970 1.00 0.00 C ATOM 642 C ALA A 48 12.171 -3.649 -3.115 1.00 0.00 C ATOM 643 O ALA A 48 11.372 -3.175 -3.918 1.00 0.00 O ATOM 644 CB ALA A 48 11.847 -3.061 -0.732 1.00 0.00 C ATOM 0 H ALA A 48 12.054 -1.133 -3.030 1.00 0.00 H new ATOM 0 HA ALA A 48 13.711 -3.134 -1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.839 -4.125 -0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.269 -2.507 0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.827 -2.722 -0.915 1.00 0.00 H new ATOM 650 N THR A 49 12.642 -4.862 -3.183 1.00 0.00 N ATOM 651 CA THR A 49 12.239 -5.801 -4.189 1.00 0.00 C ATOM 652 C THR A 49 11.280 -6.807 -3.555 1.00 0.00 C ATOM 653 O THR A 49 11.648 -7.532 -2.617 1.00 0.00 O ATOM 654 CB THR A 49 13.486 -6.508 -4.744 1.00 0.00 C ATOM 655 OG1 THR A 49 14.442 -5.508 -5.135 1.00 0.00 O ATOM 656 CG2 THR A 49 13.133 -7.345 -5.957 1.00 0.00 C ATOM 0 H THR A 49 13.330 -5.232 -2.527 1.00 0.00 H new ATOM 0 HA THR A 49 11.733 -5.296 -5.012 1.00 0.00 H new ATOM 0 HB THR A 49 13.897 -7.161 -3.974 1.00 0.00 H new ATOM 0 HG1 THR A 49 15.245 -5.944 -5.490 1.00 0.00 H new ATOM 0 HG21 THR A 49 14.030 -7.836 -6.334 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.397 -8.099 -5.677 1.00 0.00 H new ATOM 0 HG23 THR A 49 12.718 -6.703 -6.734 1.00 0.00 H new ATOM 664 N ILE A 50 10.049 -6.811 -4.028 1.00 0.00 N ATOM 665 CA ILE A 50 9.001 -7.687 -3.510 1.00 0.00 C ATOM 666 C ILE A 50 8.752 -8.785 -4.506 1.00 0.00 C ATOM 667 O ILE A 50 8.304 -8.497 -5.594 1.00 0.00 O ATOM 668 CB ILE A 50 7.632 -6.954 -3.429 1.00 0.00 C ATOM 669 CG1 ILE A 50 7.759 -5.521 -2.916 1.00 0.00 C ATOM 670 CG2 ILE A 50 6.653 -7.743 -2.561 1.00 0.00 C ATOM 671 CD1 ILE A 50 8.300 -5.419 -1.524 1.00 0.00 C ATOM 0 H ILE A 50 9.740 -6.205 -4.788 1.00 0.00 H new ATOM 0 HA ILE A 50 9.334 -8.032 -2.531 1.00 0.00 H new ATOM 0 HB ILE A 50 7.246 -6.895 -4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.408 -4.961 -3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.779 -5.046 -2.950 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.700 -7.215 -2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.500 -8.732 -2.993 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.060 -7.845 -1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.360 -4.370 -1.233 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.640 -5.949 -0.837 1.00 0.00 H new ATOM 0 HD13 ILE A 50 9.295 -5.863 -1.487 1.00 0.00 H new ATOM 683 N THR A 51 9.041 -10.009 -4.190 1.00 0.00 N ATOM 684 CA THR A 51 8.625 -11.031 -5.105 1.00 0.00 C ATOM 685 C THR A 51 7.200 -11.398 -4.700 1.00 0.00 C ATOM 686 O THR A 51 6.950 -11.760 -3.546 1.00 0.00 O ATOM 687 CB THR A 51 9.516 -12.272 -5.010 1.00 0.00 C ATOM 688 OG1 THR A 51 10.899 -11.885 -5.073 1.00 0.00 O ATOM 689 CG2 THR A 51 9.214 -13.233 -6.154 1.00 0.00 C ATOM 0 H THR A 51 9.536 -10.317 -3.353 1.00 0.00 H new ATOM 0 HA THR A 51 8.690 -10.671 -6.132 1.00 0.00 H new ATOM 0 HB THR A 51 9.315 -12.770 -4.061 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.465 -12.683 -5.010 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.856 -14.110 -6.072 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.170 -13.542 -6.104 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.400 -12.735 -7.106 1.00 0.00 H new ATOM 697 N ALA A 52 6.286 -11.290 -5.626 1.00 0.00 N ATOM 698 CA ALA A 52 4.906 -11.605 -5.391 1.00 0.00 C ATOM 699 C ALA A 52 4.342 -12.171 -6.668 1.00 0.00 C ATOM 700 O ALA A 52 4.438 -11.547 -7.727 1.00 0.00 O ATOM 701 CB ALA A 52 4.146 -10.359 -4.955 1.00 0.00 C ATOM 0 H ALA A 52 6.483 -10.977 -6.576 1.00 0.00 H new ATOM 0 HA ALA A 52 4.808 -12.337 -4.589 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.101 -10.613 -4.780 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.583 -9.969 -4.036 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.210 -9.602 -5.737 1.00 0.00 H new ATOM 707 N ARG A 53 3.834 -13.389 -6.570 1.00 0.00 N ATOM 708 CA ARG A 53 3.246 -14.147 -7.680 1.00 0.00 C ATOM 709 C ARG A 53 4.277 -14.414 -8.775 1.00 0.00 C ATOM 710 O ARG A 53 3.945 -14.709 -9.923 1.00 0.00 O ATOM 711 CB ARG A 53 1.995 -13.463 -8.244 1.00 0.00 C ATOM 712 CG ARG A 53 0.924 -13.204 -7.200 1.00 0.00 C ATOM 713 CD ARG A 53 -0.328 -12.636 -7.826 1.00 0.00 C ATOM 714 NE ARG A 53 -1.311 -12.221 -6.823 1.00 0.00 N ATOM 715 CZ ARG A 53 -2.618 -12.056 -7.049 1.00 0.00 C ATOM 716 NH1 ARG A 53 -3.107 -12.194 -8.279 1.00 0.00 N ATOM 717 NH2 ARG A 53 -3.421 -11.704 -6.060 1.00 0.00 N ATOM 0 H ARG A 53 3.816 -13.901 -5.688 1.00 0.00 H new ATOM 0 HA ARG A 53 2.929 -15.110 -7.279 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.283 -12.516 -8.700 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.577 -14.084 -9.036 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.685 -14.133 -6.683 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.305 -12.511 -6.450 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.065 -11.781 -8.449 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.775 -13.383 -8.482 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.972 -12.044 -5.878 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.484 -12.426 -9.052 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.105 -12.067 -8.448 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.043 -11.558 -5.124 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.418 -11.578 -6.233 1.00 0.00 H new ATOM 731 N GLY A 54 5.532 -14.370 -8.384 1.00 0.00 N ATOM 732 CA GLY A 54 6.631 -14.584 -9.300 1.00 0.00 C ATOM 733 C GLY A 54 7.113 -13.308 -9.955 1.00 0.00 C ATOM 734 O GLY A 54 7.979 -13.342 -10.830 1.00 0.00 O ATOM 0 H GLY A 54 5.819 -14.185 -7.423 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.460 -15.045 -8.763 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.321 -15.288 -10.073 1.00 0.00 H new ATOM 738 N HIS A 55 6.547 -12.186 -9.574 1.00 0.00 N ATOM 739 CA HIS A 55 6.991 -10.911 -10.099 1.00 0.00 C ATOM 740 C HIS A 55 7.730 -10.178 -9.010 1.00 0.00 C ATOM 741 O HIS A 55 7.233 -10.075 -7.897 1.00 0.00 O ATOM 742 CB HIS A 55 5.826 -10.020 -10.556 1.00 0.00 C ATOM 743 CG HIS A 55 5.012 -10.514 -11.710 1.00 0.00 C ATOM 744 ND1 HIS A 55 5.156 -10.052 -13.001 1.00 0.00 N ATOM 745 CD2 HIS A 55 3.989 -11.401 -11.742 1.00 0.00 C ATOM 746 CE1 HIS A 55 4.234 -10.651 -13.758 1.00 0.00 C ATOM 747 NE2 HIS A 55 3.496 -11.483 -13.041 1.00 0.00 N ATOM 0 H HIS A 55 5.780 -12.128 -8.904 1.00 0.00 H new ATOM 0 HA HIS A 55 7.622 -11.116 -10.964 1.00 0.00 H new ATOM 0 HB2 HIS A 55 5.158 -9.872 -9.707 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.229 -9.042 -10.818 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.615 -11.956 -10.894 1.00 0.00 H new ATOM 0 HE1 HIS A 55 4.107 -10.479 -14.817 1.00 0.00 H new ATOM 0 HE2 HIS A 55 2.726 -12.064 -13.372 1.00 0.00 H new ATOM 755 N GLU A 56 8.921 -9.730 -9.303 1.00 0.00 N ATOM 756 CA GLU A 56 9.660 -8.901 -8.383 1.00 0.00 C ATOM 757 C GLU A 56 9.335 -7.459 -8.651 1.00 0.00 C ATOM 758 O GLU A 56 9.599 -6.929 -9.735 1.00 0.00 O ATOM 759 CB GLU A 56 11.152 -9.136 -8.497 1.00 0.00 C ATOM 760 CG GLU A 56 11.639 -10.266 -7.630 1.00 0.00 C ATOM 761 CD GLU A 56 12.939 -10.839 -8.111 1.00 0.00 C ATOM 762 OE1 GLU A 56 14.015 -10.284 -7.826 1.00 0.00 O ATOM 763 OE2 GLU A 56 12.914 -11.884 -8.798 1.00 0.00 O ATOM 0 H GLU A 56 9.406 -9.926 -10.179 1.00 0.00 H new ATOM 0 HA GLU A 56 9.368 -9.163 -7.366 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.402 -9.349 -9.536 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.680 -8.222 -8.223 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.759 -9.909 -6.607 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.885 -11.053 -7.607 1.00 0.00 H new ATOM 770 N PHE A 57 8.750 -6.839 -7.675 1.00 0.00 N ATOM 771 CA PHE A 57 8.378 -5.478 -7.768 1.00 0.00 C ATOM 772 C PHE A 57 9.407 -4.693 -7.019 1.00 0.00 C ATOM 773 O PHE A 57 9.460 -4.757 -5.792 1.00 0.00 O ATOM 774 CB PHE A 57 6.997 -5.269 -7.158 1.00 0.00 C ATOM 775 CG PHE A 57 5.915 -6.045 -7.847 1.00 0.00 C ATOM 776 CD1 PHE A 57 5.419 -5.625 -9.069 1.00 0.00 C ATOM 777 CD2 PHE A 57 5.386 -7.187 -7.269 1.00 0.00 C ATOM 778 CE1 PHE A 57 4.417 -6.327 -9.701 1.00 0.00 C ATOM 779 CE2 PHE A 57 4.383 -7.891 -7.900 1.00 0.00 C ATOM 780 CZ PHE A 57 3.898 -7.461 -9.114 1.00 0.00 C ATOM 0 H PHE A 57 8.518 -7.277 -6.783 1.00 0.00 H new ATOM 0 HA PHE A 57 8.329 -5.155 -8.808 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.026 -5.556 -6.107 1.00 0.00 H new ATOM 0 HB3 PHE A 57 6.750 -4.208 -7.192 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.822 -4.737 -9.532 1.00 0.00 H new ATOM 0 HD2 PHE A 57 5.762 -7.529 -6.316 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.039 -5.990 -10.655 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.977 -8.781 -7.441 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.111 -8.012 -9.607 1.00 0.00 H new ATOM 790 N GLU A 58 10.278 -4.037 -7.734 1.00 0.00 N ATOM 791 CA GLU A 58 11.248 -3.224 -7.088 1.00 0.00 C ATOM 792 C GLU A 58 10.578 -1.876 -7.022 1.00 0.00 C ATOM 793 O GLU A 58 10.315 -1.247 -8.042 1.00 0.00 O ATOM 794 CB GLU A 58 12.557 -3.193 -7.878 1.00 0.00 C ATOM 795 CG GLU A 58 13.703 -2.565 -7.126 1.00 0.00 C ATOM 796 CD GLU A 58 14.958 -2.443 -7.955 1.00 0.00 C ATOM 797 OE1 GLU A 58 15.109 -1.431 -8.672 1.00 0.00 O ATOM 798 OE2 GLU A 58 15.831 -3.338 -7.900 1.00 0.00 O ATOM 0 H GLU A 58 10.330 -4.054 -8.753 1.00 0.00 H new ATOM 0 HA GLU A 58 11.536 -3.588 -6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.829 -4.212 -8.153 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.398 -2.644 -8.806 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.405 -1.575 -6.781 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.917 -3.160 -6.238 1.00 0.00 H new ATOM 805 N VAL A 59 10.228 -1.488 -5.840 1.00 0.00 N ATOM 806 CA VAL A 59 9.481 -0.277 -5.601 1.00 0.00 C ATOM 807 C VAL A 59 10.321 0.725 -4.881 1.00 0.00 C ATOM 808 O VAL A 59 11.367 0.396 -4.311 1.00 0.00 O ATOM 809 CB VAL A 59 8.240 -0.539 -4.729 1.00 0.00 C ATOM 810 CG1 VAL A 59 7.207 -1.385 -5.430 1.00 0.00 C ATOM 811 CG2 VAL A 59 8.668 -1.219 -3.467 1.00 0.00 C ATOM 0 H VAL A 59 10.453 -2.007 -4.991 1.00 0.00 H new ATOM 0 HA VAL A 59 9.177 0.097 -6.579 1.00 0.00 H new ATOM 0 HB VAL A 59 7.776 0.424 -4.515 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.353 -1.539 -4.770 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.877 -0.879 -6.337 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.643 -2.350 -5.690 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.795 -1.409 -2.842 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.153 -2.164 -3.710 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.368 -0.580 -2.928 1.00 0.00 H new ATOM 821 N GLU A 60 9.838 1.922 -4.900 1.00 0.00 N ATOM 822 CA GLU A 60 10.436 3.013 -4.219 1.00 0.00 C ATOM 823 C GLU A 60 9.358 3.571 -3.338 1.00 0.00 C ATOM 824 O GLU A 60 8.397 4.168 -3.830 1.00 0.00 O ATOM 825 CB GLU A 60 10.927 4.043 -5.234 1.00 0.00 C ATOM 826 CG GLU A 60 11.598 5.272 -4.645 1.00 0.00 C ATOM 827 CD GLU A 60 12.107 6.188 -5.731 1.00 0.00 C ATOM 828 OE1 GLU A 60 11.407 7.142 -6.119 1.00 0.00 O ATOM 829 OE2 GLU A 60 13.210 5.952 -6.252 1.00 0.00 O ATOM 0 H GLU A 60 8.989 2.172 -5.407 1.00 0.00 H new ATOM 0 HA GLU A 60 11.304 2.719 -3.628 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.630 3.555 -5.910 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.078 4.367 -5.836 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.890 5.809 -4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.426 4.966 -4.005 1.00 0.00 H new ATOM 836 N ALA A 61 9.449 3.295 -2.053 1.00 0.00 N ATOM 837 CA ALA A 61 8.461 3.828 -1.137 1.00 0.00 C ATOM 838 C ALA A 61 8.832 5.273 -0.908 1.00 0.00 C ATOM 839 O ALA A 61 9.616 5.602 -0.034 1.00 0.00 O ATOM 840 CB ALA A 61 8.420 3.046 0.169 1.00 0.00 C ATOM 0 H ALA A 61 10.176 2.720 -1.627 1.00 0.00 H new ATOM 0 HA ALA A 61 7.459 3.743 -1.557 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.667 3.478 0.828 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.168 2.006 -0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.396 3.094 0.653 1.00 0.00 H new ATOM 846 N LYS A 62 8.313 6.110 -1.760 1.00 0.00 N ATOM 847 CA LYS A 62 8.670 7.509 -1.780 1.00 0.00 C ATOM 848 C LYS A 62 7.889 8.373 -0.799 1.00 0.00 C ATOM 849 O LYS A 62 8.452 9.300 -0.216 1.00 0.00 O ATOM 850 CB LYS A 62 8.573 8.032 -3.213 1.00 0.00 C ATOM 851 CG LYS A 62 7.195 7.884 -3.837 1.00 0.00 C ATOM 852 CD LYS A 62 7.213 8.163 -5.333 1.00 0.00 C ATOM 853 CE LYS A 62 7.744 9.546 -5.660 1.00 0.00 C ATOM 854 NZ LYS A 62 7.758 9.799 -7.114 1.00 0.00 N ATOM 0 H LYS A 62 7.626 5.845 -2.466 1.00 0.00 H new ATOM 0 HA LYS A 62 9.700 7.583 -1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.853 9.085 -3.223 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.298 7.503 -3.831 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.824 6.874 -3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.501 8.568 -3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.828 7.414 -5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.203 8.062 -5.730 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.128 10.298 -5.166 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.754 9.651 -5.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.127 10.754 -7.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.366 9.097 -7.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.791 9.724 -7.489 1.00 0.00 H new ATOM 868 N ASP A 63 6.628 8.064 -0.577 1.00 0.00 N ATOM 869 CA ASP A 63 5.804 8.898 0.277 1.00 0.00 C ATOM 870 C ASP A 63 4.815 8.036 1.024 1.00 0.00 C ATOM 871 O ASP A 63 4.468 6.952 0.551 1.00 0.00 O ATOM 872 CB ASP A 63 5.058 9.964 -0.548 1.00 0.00 C ATOM 873 CG ASP A 63 4.187 10.858 0.310 1.00 0.00 C ATOM 874 OD1 ASP A 63 2.985 10.564 0.474 1.00 0.00 O ATOM 875 OD2 ASP A 63 4.688 11.845 0.872 1.00 0.00 O ATOM 0 H ASP A 63 6.154 7.251 -0.971 1.00 0.00 H new ATOM 0 HA ASP A 63 6.450 9.412 0.989 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.783 10.576 -1.085 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.439 9.471 -1.298 1.00 0.00 H new ATOM 880 N GLN A 64 4.356 8.543 2.160 1.00 0.00 N ATOM 881 CA GLN A 64 3.405 7.890 3.055 1.00 0.00 C ATOM 882 C GLN A 64 2.025 7.622 2.437 1.00 0.00 C ATOM 883 O GLN A 64 1.171 7.003 3.067 1.00 0.00 O ATOM 884 CB GLN A 64 3.353 8.624 4.407 1.00 0.00 C ATOM 885 CG GLN A 64 3.167 10.146 4.350 1.00 0.00 C ATOM 886 CD GLN A 64 1.771 10.634 4.008 1.00 0.00 C ATOM 887 OE1 GLN A 64 0.950 10.831 4.902 1.00 0.00 O ATOM 888 NE2 GLN A 64 1.494 10.878 2.747 1.00 0.00 N ATOM 0 H GLN A 64 4.648 9.460 2.499 1.00 0.00 H new ATOM 0 HA GLN A 64 3.782 6.884 3.239 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.537 8.202 4.994 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.276 8.413 4.946 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.449 10.563 5.317 1.00 0.00 H new ATOM 0 HG3 GLN A 64 3.862 10.550 3.614 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.196 10.704 2.028 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.577 11.241 2.487 1.00 0.00 H new ATOM 897 N ASN A 65 1.806 8.108 1.219 1.00 0.00 N ATOM 898 CA ASN A 65 0.608 7.766 0.460 1.00 0.00 C ATOM 899 C ASN A 65 0.662 6.276 0.127 1.00 0.00 C ATOM 900 O ASN A 65 -0.361 5.590 0.072 1.00 0.00 O ATOM 901 CB ASN A 65 0.518 8.609 -0.823 1.00 0.00 C ATOM 902 CG ASN A 65 -0.622 8.186 -1.742 1.00 0.00 C ATOM 903 OD1 ASN A 65 -0.440 7.341 -2.617 1.00 0.00 O ATOM 904 ND2 ASN A 65 -1.782 8.777 -1.586 1.00 0.00 N ATOM 0 H ASN A 65 2.444 8.741 0.736 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.281 7.981 1.053 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.388 9.657 -0.553 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.460 8.534 -1.366 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.562 8.539 -2.199 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.904 9.474 -0.852 1.00 0.00 H new ATOM 911 N CYS A 66 1.885 5.793 -0.059 1.00 0.00 N ATOM 912 CA CYS A 66 2.179 4.391 -0.318 1.00 0.00 C ATOM 913 C CYS A 66 1.589 3.841 -1.595 1.00 0.00 C ATOM 914 O CYS A 66 1.225 2.673 -1.681 1.00 0.00 O ATOM 915 CB CYS A 66 1.857 3.524 0.893 1.00 0.00 C ATOM 916 SG CYS A 66 2.963 3.858 2.296 1.00 0.00 S ATOM 0 H CYS A 66 2.718 6.380 -0.033 1.00 0.00 H new ATOM 0 HA CYS A 66 3.255 4.351 -0.488 1.00 0.00 H new ATOM 0 HB2 CYS A 66 0.825 3.698 1.198 1.00 0.00 H new ATOM 0 HB3 CYS A 66 1.934 2.473 0.615 1.00 0.00 H new ATOM 921 N LYS A 67 1.495 4.682 -2.587 1.00 0.00 N ATOM 922 CA LYS A 67 1.132 4.267 -3.887 1.00 0.00 C ATOM 923 C LYS A 67 2.262 3.409 -4.423 1.00 0.00 C ATOM 924 O LYS A 67 3.432 3.784 -4.304 1.00 0.00 O ATOM 925 CB LYS A 67 0.979 5.483 -4.775 1.00 0.00 C ATOM 926 CG LYS A 67 0.244 5.237 -6.071 1.00 0.00 C ATOM 927 CD LYS A 67 -1.203 4.885 -5.789 1.00 0.00 C ATOM 928 CE LYS A 67 -1.458 3.383 -5.839 1.00 0.00 C ATOM 929 NZ LYS A 67 -2.895 3.034 -5.698 1.00 0.00 N ATOM 0 H LYS A 67 1.673 5.683 -2.501 1.00 0.00 H new ATOM 0 HA LYS A 67 0.193 3.713 -3.867 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.453 6.258 -4.217 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.970 5.874 -5.005 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.294 6.125 -6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.723 4.428 -6.622 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.481 5.265 -4.806 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.843 5.384 -6.517 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.085 2.988 -6.784 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.892 2.897 -5.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.007 2.001 -5.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.249 3.384 -4.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.436 3.472 -6.471 1.00 0.00 H new ATOM 943 N VAL A 68 1.920 2.271 -4.967 1.00 0.00 N ATOM 944 CA VAL A 68 2.925 1.396 -5.517 1.00 0.00 C ATOM 945 C VAL A 68 3.498 1.966 -6.805 1.00 0.00 C ATOM 946 O VAL A 68 2.848 2.024 -7.861 1.00 0.00 O ATOM 947 CB VAL A 68 2.490 -0.086 -5.664 1.00 0.00 C ATOM 948 CG1 VAL A 68 1.221 -0.242 -6.500 1.00 0.00 C ATOM 949 CG2 VAL A 68 3.639 -0.904 -6.254 1.00 0.00 C ATOM 0 H VAL A 68 0.962 1.929 -5.042 1.00 0.00 H new ATOM 0 HA VAL A 68 3.722 1.361 -4.774 1.00 0.00 H new ATOM 0 HB VAL A 68 2.251 -0.463 -4.670 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.960 -1.298 -6.572 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.404 0.302 -6.026 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.392 0.158 -7.499 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.330 -1.944 -6.356 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.903 -0.506 -7.234 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.504 -0.845 -5.593 1.00 0.00 H new ATOM 959 N ILE A 69 4.700 2.446 -6.676 1.00 0.00 N ATOM 960 CA ILE A 69 5.433 3.015 -7.761 1.00 0.00 C ATOM 961 C ILE A 69 6.731 2.258 -7.831 1.00 0.00 C ATOM 962 O ILE A 69 7.500 2.202 -6.860 1.00 0.00 O ATOM 963 CB ILE A 69 5.662 4.531 -7.544 1.00 0.00 C ATOM 964 CG1 ILE A 69 4.299 5.228 -7.509 1.00 0.00 C ATOM 965 CG2 ILE A 69 6.532 5.113 -8.654 1.00 0.00 C ATOM 966 CD1 ILE A 69 4.323 6.665 -7.048 1.00 0.00 C ATOM 0 H ILE A 69 5.207 2.451 -5.791 1.00 0.00 H new ATOM 0 HA ILE A 69 4.886 2.930 -8.700 1.00 0.00 H new ATOM 0 HB ILE A 69 6.184 4.690 -6.601 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.864 5.191 -8.508 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.637 4.664 -6.852 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.679 6.179 -8.480 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.499 4.610 -8.660 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.041 4.967 -9.616 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.310 7.068 -7.059 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.723 6.716 -6.035 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.953 7.251 -7.717 1.00 0.00 H new ATOM 978 N LEU A 70 6.941 1.636 -8.954 1.00 0.00 N ATOM 979 CA LEU A 70 8.100 0.828 -9.144 1.00 0.00 C ATOM 980 C LEU A 70 9.266 1.696 -9.458 1.00 0.00 C ATOM 981 O LEU A 70 9.116 2.812 -9.960 1.00 0.00 O ATOM 982 CB LEU A 70 7.937 -0.210 -10.261 1.00 0.00 C ATOM 983 CG LEU A 70 6.926 -1.337 -10.049 1.00 0.00 C ATOM 984 CD1 LEU A 70 7.188 -2.109 -8.792 1.00 0.00 C ATOM 985 CD2 LEU A 70 5.517 -0.847 -10.099 1.00 0.00 C ATOM 0 H LEU A 70 6.314 1.677 -9.758 1.00 0.00 H new ATOM 0 HA LEU A 70 8.256 0.282 -8.214 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.660 0.320 -11.172 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.911 -0.664 -10.440 1.00 0.00 H new ATOM 0 HG LEU A 70 7.061 -2.025 -10.883 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.443 -2.898 -8.687 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.182 -2.553 -8.838 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.130 -1.439 -7.934 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.835 -1.683 -9.943 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.363 -0.103 -9.318 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.323 -0.397 -11.073 1.00 0.00 H new ATOM 997 N THR A 71 10.413 1.162 -9.198 1.00 0.00 N ATOM 998 CA THR A 71 11.677 1.854 -9.472 1.00 0.00 C ATOM 999 C THR A 71 11.871 2.089 -10.964 1.00 0.00 C ATOM 1000 O THR A 71 12.573 3.010 -11.390 1.00 0.00 O ATOM 1001 CB THR A 71 12.871 1.081 -8.921 1.00 0.00 C ATOM 1002 OG1 THR A 71 12.874 -0.246 -9.461 1.00 0.00 O ATOM 1003 CG2 THR A 71 12.771 1.015 -7.423 1.00 0.00 C ATOM 0 H THR A 71 10.525 0.234 -8.789 1.00 0.00 H new ATOM 0 HA THR A 71 11.620 2.818 -8.967 1.00 0.00 H new ATOM 0 HB THR A 71 13.795 1.586 -9.203 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.788 -0.600 -9.454 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.623 0.463 -7.025 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.770 2.025 -7.014 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.848 0.509 -7.142 1.00 0.00 H new ATOM 1011 N ASN A 72 11.202 1.260 -11.758 1.00 0.00 N ATOM 1012 CA ASN A 72 11.257 1.377 -13.208 1.00 0.00 C ATOM 1013 C ASN A 72 10.353 2.511 -13.666 1.00 0.00 C ATOM 1014 O ASN A 72 10.315 2.857 -14.842 1.00 0.00 O ATOM 1015 CB ASN A 72 10.874 0.071 -13.930 1.00 0.00 C ATOM 1016 CG ASN A 72 11.788 -1.100 -13.610 1.00 0.00 C ATOM 1017 OD1 ASN A 72 12.860 -1.237 -14.199 1.00 0.00 O ATOM 1018 ND2 ASN A 72 11.340 -2.010 -12.761 1.00 0.00 N ATOM 0 H ASN A 72 10.614 0.498 -11.419 1.00 0.00 H new ATOM 0 HA ASN A 72 12.292 1.591 -13.474 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.852 -0.195 -13.661 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.886 0.245 -15.006 1.00 0.00 H new ATOM 0 HD21 ASN A 72 11.887 -2.852 -12.580 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.448 -1.870 -12.287 1.00 0.00 H new ATOM 1025 N GLY A 73 9.605 3.065 -12.719 1.00 0.00 N ATOM 1026 CA GLY A 73 8.734 4.190 -12.986 1.00 0.00 C ATOM 1027 C GLY A 73 7.431 3.704 -13.534 1.00 0.00 C ATOM 1028 O GLY A 73 6.806 4.346 -14.372 1.00 0.00 O ATOM 0 H GLY A 73 9.589 2.745 -11.751 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.565 4.756 -12.070 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.208 4.867 -13.697 1.00 0.00 H new ATOM 1032 N LYS A 74 7.052 2.536 -13.069 1.00 0.00 N ATOM 1033 CA LYS A 74 5.881 1.856 -13.530 1.00 0.00 C ATOM 1034 C LYS A 74 4.837 1.744 -12.448 1.00 0.00 C ATOM 1035 O LYS A 74 5.100 2.041 -11.272 1.00 0.00 O ATOM 1036 CB LYS A 74 6.310 0.460 -13.947 1.00 0.00 C ATOM 1037 CG LYS A 74 7.425 0.460 -14.970 1.00 0.00 C ATOM 1038 CD LYS A 74 6.953 0.920 -16.336 1.00 0.00 C ATOM 1039 CE LYS A 74 8.059 0.820 -17.364 1.00 0.00 C ATOM 1040 NZ LYS A 74 7.634 1.322 -18.691 1.00 0.00 N ATOM 0 H LYS A 74 7.564 2.029 -12.347 1.00 0.00 H new ATOM 0 HA LYS A 74 5.440 2.415 -14.356 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.635 -0.092 -13.065 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.450 -0.070 -14.356 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.229 1.111 -14.628 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.841 -0.544 -15.051 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.104 0.314 -16.652 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.604 1.951 -16.274 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.924 1.389 -17.022 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.376 -0.219 -17.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.422 1.235 -19.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.825 0.763 -19.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.356 2.321 -18.611 1.00 0.00 H new ATOM 1054 N GLN A 75 3.672 1.324 -12.876 1.00 0.00 N ATOM 1055 CA GLN A 75 2.562 0.984 -12.017 1.00 0.00 C ATOM 1056 C GLN A 75 2.580 -0.521 -11.845 1.00 0.00 C ATOM 1057 O GLN A 75 3.010 -1.245 -12.748 1.00 0.00 O ATOM 1058 CB GLN A 75 1.224 1.370 -12.648 1.00 0.00 C ATOM 1059 CG GLN A 75 0.970 2.856 -12.776 1.00 0.00 C ATOM 1060 CD GLN A 75 -0.344 3.135 -13.475 1.00 0.00 C ATOM 1061 OE1 GLN A 75 -0.385 3.270 -14.700 1.00 0.00 O ATOM 1062 NE2 GLN A 75 -1.418 3.235 -12.729 1.00 0.00 N ATOM 0 H GLN A 75 3.462 1.205 -13.867 1.00 0.00 H new ATOM 0 HA GLN A 75 2.662 1.518 -11.072 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.167 0.922 -13.640 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.422 0.932 -12.054 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.961 3.311 -11.786 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.785 3.319 -13.332 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.349 3.118 -11.718 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.322 3.430 -13.160 1.00 0.00 H new ATOM 1071 N ALA A 76 2.161 -0.979 -10.702 1.00 0.00 N ATOM 1072 CA ALA A 76 2.083 -2.401 -10.432 1.00 0.00 C ATOM 1073 C ALA A 76 0.609 -2.801 -10.503 1.00 0.00 C ATOM 1074 O ALA A 76 -0.238 -1.913 -10.613 1.00 0.00 O ATOM 1075 CB ALA A 76 2.695 -2.721 -9.068 1.00 0.00 C ATOM 0 H ALA A 76 1.862 -0.387 -9.927 1.00 0.00 H new ATOM 0 HA ALA A 76 2.652 -2.970 -11.167 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.628 -3.793 -8.882 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.741 -2.416 -9.058 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.153 -2.183 -8.291 1.00 0.00 H new ATOM 1081 N PRO A 77 0.262 -4.104 -10.472 1.00 0.00 N ATOM 1082 CA PRO A 77 -1.139 -4.542 -10.507 1.00 0.00 C ATOM 1083 C PRO A 77 -1.970 -3.982 -9.356 1.00 0.00 C ATOM 1084 O PRO A 77 -1.445 -3.660 -8.281 1.00 0.00 O ATOM 1085 CB PRO A 77 -1.028 -6.044 -10.359 1.00 0.00 C ATOM 1086 CG PRO A 77 0.311 -6.385 -10.872 1.00 0.00 C ATOM 1087 CD PRO A 77 1.178 -5.260 -10.434 1.00 0.00 C ATOM 0 HA PRO A 77 -1.639 -4.203 -11.414 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -1.139 -6.346 -9.318 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.808 -6.554 -10.924 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.660 -7.335 -10.468 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.307 -6.483 -11.958 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.579 -5.425 -9.434 1.00 0.00 H new ATOM 0 HD3 PRO A 77 2.029 -5.123 -11.101 1.00 0.00 H new ATOM 1095 N ASP A 78 -3.266 -3.915 -9.582 1.00 0.00 N ATOM 1096 CA ASP A 78 -4.239 -3.372 -8.631 1.00 0.00 C ATOM 1097 C ASP A 78 -4.287 -4.190 -7.344 1.00 0.00 C ATOM 1098 O ASP A 78 -4.643 -3.676 -6.286 1.00 0.00 O ATOM 1099 CB ASP A 78 -5.635 -3.326 -9.264 1.00 0.00 C ATOM 1100 CG ASP A 78 -6.220 -4.696 -9.519 1.00 0.00 C ATOM 1101 OD1 ASP A 78 -5.713 -5.429 -10.390 1.00 0.00 O ATOM 1102 OD2 ASP A 78 -7.209 -5.069 -8.865 1.00 0.00 O ATOM 0 H ASP A 78 -3.691 -4.242 -10.450 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.919 -2.361 -8.379 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.305 -2.768 -8.610 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.582 -2.780 -10.206 1.00 0.00 H new ATOM 1107 N TRP A 79 -3.902 -5.457 -7.433 1.00 0.00 N ATOM 1108 CA TRP A 79 -3.902 -6.329 -6.275 1.00 0.00 C ATOM 1109 C TRP A 79 -2.712 -6.054 -5.362 1.00 0.00 C ATOM 1110 O TRP A 79 -2.682 -6.488 -4.220 1.00 0.00 O ATOM 1111 CB TRP A 79 -3.947 -7.808 -6.693 1.00 0.00 C ATOM 1112 CG TRP A 79 -2.821 -8.274 -7.569 1.00 0.00 C ATOM 1113 CD1 TRP A 79 -2.885 -8.451 -8.908 1.00 0.00 C ATOM 1114 CD2 TRP A 79 -1.474 -8.622 -7.181 1.00 0.00 C ATOM 1115 NE1 TRP A 79 -1.683 -8.898 -9.387 1.00 0.00 N ATOM 1116 CE2 TRP A 79 -0.796 -8.999 -8.351 1.00 0.00 C ATOM 1117 CE3 TRP A 79 -0.775 -8.651 -5.966 1.00 0.00 C ATOM 1118 CZ2 TRP A 79 0.539 -9.394 -8.347 1.00 0.00 C ATOM 1119 CZ3 TRP A 79 0.547 -9.041 -5.968 1.00 0.00 C ATOM 1120 CH2 TRP A 79 1.190 -9.405 -7.150 1.00 0.00 C ATOM 0 H TRP A 79 -3.587 -5.899 -8.296 1.00 0.00 H new ATOM 0 HA TRP A 79 -4.806 -6.112 -5.707 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -3.958 -8.421 -5.791 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -4.887 -7.990 -7.214 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -3.760 -8.266 -9.513 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -1.481 -9.120 -10.362 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -1.264 -8.373 -5.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 1.040 -9.681 -9.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 1.094 -9.065 -5.037 1.00 0.00 H new ATOM 0 HH2 TRP A 79 2.228 -9.702 -7.116 1.00 0.00 H new ATOM 1131 N LEU A 80 -1.719 -5.355 -5.864 1.00 0.00 N ATOM 1132 CA LEU A 80 -0.559 -5.070 -5.068 1.00 0.00 C ATOM 1133 C LEU A 80 -0.842 -3.800 -4.298 1.00 0.00 C ATOM 1134 O LEU A 80 -0.749 -2.700 -4.836 1.00 0.00 O ATOM 1135 CB LEU A 80 0.680 -4.934 -5.949 1.00 0.00 C ATOM 1136 CG LEU A 80 1.998 -4.725 -5.210 1.00 0.00 C ATOM 1137 CD1 LEU A 80 2.288 -5.903 -4.322 1.00 0.00 C ATOM 1138 CD2 LEU A 80 3.136 -4.552 -6.178 1.00 0.00 C ATOM 0 H LEU A 80 -1.696 -4.979 -6.812 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.354 -5.885 -4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.767 -5.831 -6.563 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.529 -4.096 -6.629 1.00 0.00 H new ATOM 0 HG LEU A 80 1.902 -3.822 -4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.231 -5.742 -3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.485 -6.016 -3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.358 -6.807 -4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.064 -4.405 -5.626 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.222 -5.442 -6.801 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.948 -3.684 -6.809 1.00 0.00 H new ATOM 1150 N ALA A 81 -1.225 -3.952 -3.062 1.00 0.00 N ATOM 1151 CA ALA A 81 -1.648 -2.799 -2.290 1.00 0.00 C ATOM 1152 C ALA A 81 -0.659 -2.443 -1.222 1.00 0.00 C ATOM 1153 O ALA A 81 -0.312 -3.271 -0.395 1.00 0.00 O ATOM 1154 CB ALA A 81 -2.986 -3.045 -1.627 1.00 0.00 C ATOM 0 H ALA A 81 -1.256 -4.843 -2.566 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.725 -1.974 -2.999 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.277 -2.163 -1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.738 -3.247 -2.389 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.908 -3.902 -0.958 1.00 0.00 H new ATOM 1160 N ALA A 82 -0.221 -1.221 -1.219 1.00 0.00 N ATOM 1161 CA ALA A 82 0.635 -0.769 -0.164 1.00 0.00 C ATOM 1162 C ALA A 82 -0.128 0.236 0.674 1.00 0.00 C ATOM 1163 O ALA A 82 -0.873 1.065 0.143 1.00 0.00 O ATOM 1164 CB ALA A 82 1.925 -0.184 -0.706 1.00 0.00 C ATOM 0 H ALA A 82 -0.440 -0.523 -1.930 1.00 0.00 H new ATOM 0 HA ALA A 82 0.924 -1.615 0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.550 0.149 0.123 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.456 -0.944 -1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.697 0.664 -1.352 1.00 0.00 H new ATOM 1170 N GLU A 83 -0.016 0.108 1.968 1.00 0.00 N ATOM 1171 CA GLU A 83 -0.634 1.018 2.896 1.00 0.00 C ATOM 1172 C GLU A 83 0.360 1.262 4.012 1.00 0.00 C ATOM 1173 O GLU A 83 1.099 0.351 4.349 1.00 0.00 O ATOM 1174 CB GLU A 83 -1.971 0.447 3.393 1.00 0.00 C ATOM 1175 CG GLU A 83 -1.933 -0.977 3.900 1.00 0.00 C ATOM 1176 CD GLU A 83 -3.289 -1.422 4.388 1.00 0.00 C ATOM 1177 OE1 GLU A 83 -3.618 -1.172 5.565 1.00 0.00 O ATOM 1178 OE2 GLU A 83 -4.066 -2.018 3.611 1.00 0.00 O ATOM 0 H GLU A 83 0.514 -0.641 2.414 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.878 1.971 2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.342 1.087 4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.693 0.503 2.579 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.595 -1.640 3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.208 -1.057 4.710 1.00 0.00 H new ATOM 1185 N PRO A 84 0.473 2.479 4.542 1.00 0.00 N ATOM 1186 CA PRO A 84 1.431 2.785 5.598 1.00 0.00 C ATOM 1187 C PRO A 84 1.027 2.142 6.940 1.00 0.00 C ATOM 1188 O PRO A 84 -0.136 2.204 7.358 1.00 0.00 O ATOM 1189 CB PRO A 84 1.441 4.314 5.582 1.00 0.00 C ATOM 1190 CG PRO A 84 0.037 4.646 5.257 1.00 0.00 C ATOM 1191 CD PRO A 84 -0.290 3.683 4.157 1.00 0.00 C ATOM 0 HA PRO A 84 2.430 2.376 5.449 1.00 0.00 H new ATOM 0 HB2 PRO A 84 1.742 4.727 6.545 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.133 4.706 4.837 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -0.619 4.514 6.118 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -0.068 5.681 4.932 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -1.360 3.483 4.099 1.00 0.00 H new ATOM 0 HD3 PRO A 84 0.017 4.062 3.182 1.00 0.00 H new ATOM 1199 N TYR A 85 2.007 1.498 7.567 1.00 0.00 N ATOM 1200 CA TYR A 85 1.831 0.648 8.744 1.00 0.00 C ATOM 1201 C TYR A 85 1.180 1.301 9.977 1.00 0.00 C ATOM 1202 O TYR A 85 -0.052 1.176 10.114 1.00 0.00 O ATOM 1203 CB TYR A 85 3.121 -0.169 8.989 1.00 0.00 C ATOM 1204 CG TYR A 85 4.189 0.271 9.982 1.00 0.00 C ATOM 1205 CD1 TYR A 85 4.825 1.496 9.894 1.00 0.00 C ATOM 1206 CD2 TYR A 85 4.624 -0.610 10.959 1.00 0.00 C ATOM 1207 CE1 TYR A 85 5.860 1.826 10.753 1.00 0.00 C ATOM 1208 CE2 TYR A 85 5.641 -0.281 11.829 1.00 0.00 C ATOM 1209 CZ TYR A 85 6.261 0.936 11.720 1.00 0.00 C ATOM 1210 OH TYR A 85 7.321 1.251 12.555 1.00 0.00 O ATOM 1211 OXT TYR A 85 1.855 1.929 10.819 1.00 0.00 O ATOM 0 H TYR A 85 2.978 1.554 7.261 1.00 0.00 H new ATOM 0 HA TYR A 85 1.038 -0.063 8.514 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.806 -1.168 9.291 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.615 -0.270 8.023 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.510 2.206 9.144 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.154 -1.579 11.041 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.352 2.783 10.663 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.948 -0.979 12.593 1.00 0.00 H new ATOM 0 HH TYR A 85 7.474 0.514 13.182 1.00 0.00 H new TER 1221 TYR A 85