USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=15 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 32:sc= 0.364 USER MOD Single : A 11 ASN : amide:sc= -0.696 K(o=-0.7,f=-2.2!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.1!) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 72:sc= 0.998 USER MOD Single : A 27 TYR OH : rot 120:sc= -0.0324 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -1.06 X(o=-1.1,f=-0.74) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.078 USER MOD Single : A 40 MET CE :methyl 167:sc= -0.0378 (180deg=-0.275) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.0518 K(o=0.052,f=-2.8!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0275 USER MOD Single : A 49 THR OG1 : rot -66:sc= 1.22 USER MOD Single : A 51 THR OG1 : rot -98:sc= 0.0923 USER MOD Single : A 55 HIS : no HD1:sc= -0.116 X(o=-0.12,f=0.0028) USER MOD Single : A 62 LYS NZ :NH3+ 172:sc= 1.29 (180deg=1.21) USER MOD Single : A 64 GLN : amide:sc= 0.819 K(o=0.82,f=-3.7!) USER MOD Single : A 65 ASN : amide:sc= 1.13 K(o=1.1,f=-0.32) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -39:sc= 0.0215 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 74 LYS NZ :NH3+ -179:sc= 0.152 (180deg=0.152) USER MOD Single : A 75 GLN : amide:sc= 0.24 K(o=0.24,f=-2.2!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 7 2.237 1.044 -19.809 1.00 0.00 N ATOM 2 CA SER A 7 3.435 1.842 -20.042 1.00 0.00 C ATOM 3 C SER A 7 3.068 3.306 -20.329 1.00 0.00 C ATOM 4 O SER A 7 3.893 4.073 -20.833 1.00 0.00 O ATOM 5 CB SER A 7 4.182 1.221 -21.214 1.00 0.00 C ATOM 6 OG SER A 7 4.294 -0.185 -21.016 1.00 0.00 O ATOM 0 HA SER A 7 4.069 1.845 -19.155 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.654 1.427 -22.145 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.173 1.666 -21.304 1.00 0.00 H new ATOM 0 HG SER A 7 3.513 -0.509 -20.520 1.00 0.00 H new ATOM 12 N GLY A 8 1.833 3.697 -19.999 1.00 0.00 N ATOM 13 CA GLY A 8 1.399 5.056 -20.179 1.00 0.00 C ATOM 14 C GLY A 8 2.009 5.954 -19.134 1.00 0.00 C ATOM 15 O GLY A 8 2.762 5.488 -18.269 1.00 0.00 O ATOM 0 H GLY A 8 1.125 3.077 -19.605 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.680 5.404 -21.173 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.312 5.107 -20.119 1.00 0.00 H new ATOM 19 N ARG A 9 1.693 7.217 -19.173 1.00 0.00 N ATOM 20 CA ARG A 9 2.291 8.129 -18.234 1.00 0.00 C ATOM 21 C ARG A 9 1.291 9.076 -17.602 1.00 0.00 C ATOM 22 O ARG A 9 0.331 9.534 -18.229 1.00 0.00 O ATOM 23 CB ARG A 9 3.448 8.916 -18.851 1.00 0.00 C ATOM 24 CG ARG A 9 3.086 9.736 -20.076 1.00 0.00 C ATOM 25 CD ARG A 9 4.268 10.574 -20.504 1.00 0.00 C ATOM 26 NE ARG A 9 4.009 11.350 -21.715 1.00 0.00 N ATOM 27 CZ ARG A 9 4.272 12.652 -21.855 1.00 0.00 C ATOM 28 NH1 ARG A 9 4.476 13.418 -20.786 1.00 0.00 N ATOM 29 NH2 ARG A 9 4.266 13.195 -23.061 1.00 0.00 N ATOM 0 H ARG A 9 1.036 7.636 -19.832 1.00 0.00 H new ATOM 0 HA ARG A 9 2.688 7.499 -17.438 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.858 9.584 -18.093 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.240 8.217 -19.121 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.784 9.076 -20.889 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.235 10.379 -19.855 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.537 11.253 -19.695 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.126 9.923 -20.673 1.00 0.00 H new ATOM 0 HE ARG A 9 3.598 10.862 -22.511 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.432 13.012 -19.851 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.676 14.411 -20.901 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.061 12.620 -23.878 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.466 14.189 -23.174 1.00 0.00 H new ATOM 43 N GLU A 10 1.532 9.334 -16.350 1.00 0.00 N ATOM 44 CA GLU A 10 0.797 10.267 -15.550 1.00 0.00 C ATOM 45 C GLU A 10 1.784 10.800 -14.534 1.00 0.00 C ATOM 46 O GLU A 10 2.707 10.080 -14.128 1.00 0.00 O ATOM 47 CB GLU A 10 -0.391 9.608 -14.832 1.00 0.00 C ATOM 48 CG GLU A 10 -0.013 8.478 -13.882 1.00 0.00 C ATOM 49 CD GLU A 10 -1.162 8.070 -13.000 1.00 0.00 C ATOM 50 OE1 GLU A 10 -1.802 7.025 -13.241 1.00 0.00 O ATOM 51 OE2 GLU A 10 -1.469 8.809 -12.047 1.00 0.00 O ATOM 0 H GLU A 10 2.284 8.876 -15.835 1.00 0.00 H new ATOM 0 HA GLU A 10 0.374 11.053 -16.176 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.928 10.372 -14.270 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.081 9.219 -15.581 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.323 7.617 -14.460 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.826 8.793 -13.261 1.00 0.00 H new ATOM 58 N ASN A 11 1.652 12.038 -14.159 1.00 0.00 N ATOM 59 CA ASN A 11 2.532 12.577 -13.158 1.00 0.00 C ATOM 60 C ASN A 11 1.871 12.424 -11.812 1.00 0.00 C ATOM 61 O ASN A 11 1.055 13.248 -11.391 1.00 0.00 O ATOM 62 CB ASN A 11 2.928 14.032 -13.431 1.00 0.00 C ATOM 63 CG ASN A 11 3.889 14.582 -12.386 1.00 0.00 C ATOM 64 OD1 ASN A 11 3.477 15.174 -11.388 1.00 0.00 O ATOM 65 ND2 ASN A 11 5.170 14.385 -12.602 1.00 0.00 N ATOM 0 H ASN A 11 0.955 12.688 -14.523 1.00 0.00 H new ATOM 0 HA ASN A 11 3.468 12.018 -13.180 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.390 14.101 -14.416 1.00 0.00 H new ATOM 0 HB3 ASN A 11 2.031 14.651 -13.456 1.00 0.00 H new ATOM 0 HD21 ASN A 11 5.859 14.727 -11.932 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.476 13.890 -13.440 1.00 0.00 H new ATOM 72 N LEU A 12 2.128 11.304 -11.193 1.00 0.00 N ATOM 73 CA LEU A 12 1.610 11.042 -9.877 1.00 0.00 C ATOM 74 C LEU A 12 2.664 11.500 -8.882 1.00 0.00 C ATOM 75 O LEU A 12 3.615 10.794 -8.520 1.00 0.00 O ATOM 76 CB LEU A 12 1.164 9.579 -9.664 1.00 0.00 C ATOM 77 CG LEU A 12 2.234 8.479 -9.636 1.00 0.00 C ATOM 78 CD1 LEU A 12 1.612 7.160 -9.216 1.00 0.00 C ATOM 79 CD2 LEU A 12 2.941 8.288 -10.974 1.00 0.00 C ATOM 0 H LEU A 12 2.698 10.553 -11.582 1.00 0.00 H new ATOM 0 HA LEU A 12 0.687 11.602 -9.729 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.619 9.534 -8.721 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.456 9.331 -10.454 1.00 0.00 H new ATOM 0 HG LEU A 12 2.984 8.803 -8.915 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.379 6.385 -9.199 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.178 7.263 -8.222 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.832 6.883 -9.925 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.684 7.496 -10.883 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.211 8.015 -11.736 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.434 9.217 -11.261 1.00 0.00 H new ATOM 91 N TYR A 13 2.537 12.730 -8.517 1.00 0.00 N ATOM 92 CA TYR A 13 3.512 13.377 -7.684 1.00 0.00 C ATOM 93 C TYR A 13 3.153 13.161 -6.231 1.00 0.00 C ATOM 94 O TYR A 13 2.354 13.901 -5.651 1.00 0.00 O ATOM 95 CB TYR A 13 3.587 14.871 -8.021 1.00 0.00 C ATOM 96 CG TYR A 13 4.793 15.615 -7.473 1.00 0.00 C ATOM 97 CD1 TYR A 13 4.786 16.201 -6.209 1.00 0.00 C ATOM 98 CD2 TYR A 13 5.936 15.750 -8.248 1.00 0.00 C ATOM 99 CE1 TYR A 13 5.888 16.897 -5.740 1.00 0.00 C ATOM 100 CE2 TYR A 13 7.040 16.438 -7.788 1.00 0.00 C ATOM 101 CZ TYR A 13 7.014 17.012 -6.534 1.00 0.00 C ATOM 102 OH TYR A 13 8.118 17.720 -6.079 1.00 0.00 O ATOM 0 H TYR A 13 1.753 13.324 -8.785 1.00 0.00 H new ATOM 0 HA TYR A 13 4.496 12.945 -7.867 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.579 14.980 -9.106 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.685 15.354 -7.646 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.909 16.111 -5.586 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.962 15.307 -9.233 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.868 17.348 -4.759 1.00 0.00 H new ATOM 0 HE2 TYR A 13 7.921 16.527 -8.407 1.00 0.00 H new ATOM 0 HH TYR A 13 8.822 17.701 -6.760 1.00 0.00 H new ATOM 112 N PHE A 14 3.664 12.091 -5.680 1.00 0.00 N ATOM 113 CA PHE A 14 3.487 11.829 -4.281 1.00 0.00 C ATOM 114 C PHE A 14 4.828 11.700 -3.621 1.00 0.00 C ATOM 115 O PHE A 14 5.437 10.632 -3.607 1.00 0.00 O ATOM 116 CB PHE A 14 2.609 10.604 -3.993 1.00 0.00 C ATOM 117 CG PHE A 14 1.159 10.817 -4.308 1.00 0.00 C ATOM 118 CD1 PHE A 14 0.601 10.332 -5.478 1.00 0.00 C ATOM 119 CD2 PHE A 14 0.356 11.515 -3.422 1.00 0.00 C ATOM 120 CE1 PHE A 14 -0.735 10.543 -5.754 1.00 0.00 C ATOM 121 CE2 PHE A 14 -0.977 11.729 -3.690 1.00 0.00 C ATOM 122 CZ PHE A 14 -1.523 11.243 -4.857 1.00 0.00 C ATOM 0 H PHE A 14 4.206 11.388 -6.182 1.00 0.00 H new ATOM 0 HA PHE A 14 2.948 12.678 -3.860 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.978 9.759 -4.574 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.708 10.336 -2.941 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.214 9.785 -6.179 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.782 11.898 -2.506 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.165 10.162 -6.669 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.591 12.275 -2.989 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.568 11.408 -5.073 1.00 0.00 H new ATOM 132 N GLN A 15 5.320 12.840 -3.200 1.00 0.00 N ATOM 133 CA GLN A 15 6.505 12.976 -2.389 1.00 0.00 C ATOM 134 C GLN A 15 6.253 14.236 -1.595 1.00 0.00 C ATOM 135 O GLN A 15 6.562 15.336 -2.060 1.00 0.00 O ATOM 136 CB GLN A 15 7.819 13.161 -3.183 1.00 0.00 C ATOM 137 CG GLN A 15 8.096 12.165 -4.298 1.00 0.00 C ATOM 138 CD GLN A 15 7.445 12.543 -5.625 1.00 0.00 C ATOM 139 OE1 GLN A 15 7.263 13.719 -5.918 1.00 0.00 O ATOM 140 NE2 GLN A 15 7.111 11.570 -6.451 1.00 0.00 N ATOM 0 H GLN A 15 4.887 13.736 -3.423 1.00 0.00 H new ATOM 0 HA GLN A 15 6.652 12.066 -1.807 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.816 14.162 -3.615 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.650 13.121 -2.478 1.00 0.00 H new ATOM 0 HG2 GLN A 15 9.173 12.082 -4.441 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.738 11.181 -3.994 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.272 10.598 -6.186 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.692 11.789 -7.355 1.00 0.00 H new ATOM 149 N GLY A 16 5.639 14.101 -0.457 1.00 0.00 N ATOM 150 CA GLY A 16 5.282 15.277 0.298 1.00 0.00 C ATOM 151 C GLY A 16 6.062 15.472 1.574 1.00 0.00 C ATOM 152 O GLY A 16 6.959 14.682 1.908 1.00 0.00 O ATOM 0 H GLY A 16 5.377 13.211 -0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.422 16.154 -0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.221 15.226 0.542 1.00 0.00 H new ATOM 156 N HIS A 17 5.727 16.548 2.262 1.00 0.00 N ATOM 157 CA HIS A 17 6.322 16.933 3.528 1.00 0.00 C ATOM 158 C HIS A 17 5.191 17.336 4.459 1.00 0.00 C ATOM 159 O HIS A 17 4.579 18.402 4.308 1.00 0.00 O ATOM 160 CB HIS A 17 7.315 18.098 3.364 1.00 0.00 C ATOM 161 CG HIS A 17 8.522 17.788 2.526 1.00 0.00 C ATOM 162 ND1 HIS A 17 8.605 18.031 1.174 1.00 0.00 N ATOM 163 CD2 HIS A 17 9.721 17.265 2.878 1.00 0.00 C ATOM 164 CE1 HIS A 17 9.813 17.667 0.753 1.00 0.00 C ATOM 165 NE2 HIS A 17 10.536 17.194 1.749 1.00 0.00 N ATOM 0 H HIS A 17 5.009 17.199 1.944 1.00 0.00 H new ATOM 0 HA HIS A 17 6.887 16.094 3.934 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.790 18.944 2.920 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.649 18.414 4.353 1.00 0.00 H new ATOM 0 HD2 HIS A 17 10.001 16.953 3.873 1.00 0.00 H new ATOM 0 HE1 HIS A 17 10.156 17.748 -0.268 1.00 0.00 H new ATOM 0 HE2 HIS A 17 11.494 16.847 1.703 1.00 0.00 H new ATOM 173 N MET A 18 4.869 16.447 5.362 1.00 0.00 N ATOM 174 CA MET A 18 3.791 16.628 6.310 1.00 0.00 C ATOM 175 C MET A 18 4.155 15.852 7.556 1.00 0.00 C ATOM 176 O MET A 18 5.069 15.020 7.491 1.00 0.00 O ATOM 177 CB MET A 18 2.509 16.016 5.708 1.00 0.00 C ATOM 178 CG MET A 18 1.282 16.021 6.617 1.00 0.00 C ATOM 179 SD MET A 18 -0.140 15.167 5.908 1.00 0.00 S ATOM 180 CE MET A 18 -1.256 15.182 7.315 1.00 0.00 C ATOM 0 H MET A 18 5.357 15.557 5.464 1.00 0.00 H new ATOM 0 HA MET A 18 3.633 17.683 6.536 1.00 0.00 H new ATOM 0 HB2 MET A 18 2.264 16.558 4.795 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.721 14.986 5.420 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.541 15.553 7.567 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.005 17.052 6.835 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.190 14.689 7.044 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.796 14.654 8.150 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.461 16.212 7.606 1.00 0.00 H new ATOM 190 N ALA A 19 3.519 16.152 8.685 1.00 0.00 N ATOM 191 CA ALA A 19 3.581 15.263 9.829 1.00 0.00 C ATOM 192 C ALA A 19 2.794 14.052 9.366 1.00 0.00 C ATOM 193 O ALA A 19 1.563 14.028 9.395 1.00 0.00 O ATOM 194 CB ALA A 19 2.946 15.893 11.055 1.00 0.00 C ATOM 0 H ALA A 19 2.962 16.995 8.827 1.00 0.00 H new ATOM 0 HA ALA A 19 4.602 15.024 10.127 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.009 15.200 11.894 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.472 16.814 11.304 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.900 16.117 10.848 1.00 0.00 H new ATOM 200 N ALA A 20 3.515 13.113 8.844 1.00 0.00 N ATOM 201 CA ALA A 20 2.958 12.023 8.107 1.00 0.00 C ATOM 202 C ALA A 20 2.742 10.798 8.955 1.00 0.00 C ATOM 203 O ALA A 20 3.230 10.733 10.084 1.00 0.00 O ATOM 204 CB ALA A 20 3.938 11.697 6.989 1.00 0.00 C ATOM 0 H ALA A 20 4.532 13.081 8.920 1.00 0.00 H new ATOM 0 HA ALA A 20 1.979 12.315 7.728 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.552 10.867 6.398 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.064 12.571 6.349 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.901 11.420 7.418 1.00 0.00 H new ATOM 210 N PRO A 21 1.944 9.836 8.436 1.00 0.00 N ATOM 211 CA PRO A 21 1.850 8.485 8.988 1.00 0.00 C ATOM 212 C PRO A 21 3.236 7.880 9.267 1.00 0.00 C ATOM 213 O PRO A 21 4.269 8.434 8.879 1.00 0.00 O ATOM 214 CB PRO A 21 1.155 7.714 7.870 1.00 0.00 C ATOM 215 CG PRO A 21 0.261 8.711 7.240 1.00 0.00 C ATOM 216 CD PRO A 21 0.963 10.035 7.348 1.00 0.00 C ATOM 0 HA PRO A 21 1.326 8.459 9.943 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.874 7.316 7.154 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.593 6.866 8.261 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.069 8.457 6.198 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -0.705 8.741 7.744 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.454 10.303 6.413 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.265 10.838 7.583 1.00 0.00 H new ATOM 224 N ALA A 22 3.230 6.707 9.840 1.00 0.00 N ATOM 225 CA ALA A 22 4.385 6.019 10.429 1.00 0.00 C ATOM 226 C ALA A 22 5.588 5.645 9.538 1.00 0.00 C ATOM 227 O ALA A 22 6.322 4.708 9.864 1.00 0.00 O ATOM 228 CB ALA A 22 3.861 4.807 11.096 1.00 0.00 C ATOM 0 H ALA A 22 2.374 6.159 9.922 1.00 0.00 H new ATOM 0 HA ALA A 22 4.837 6.760 11.089 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.685 4.258 11.552 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.147 5.096 11.867 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.365 4.173 10.361 1.00 0.00 H new ATOM 234 N ARG A 23 5.814 6.399 8.488 1.00 0.00 N ATOM 235 CA ARG A 23 6.964 6.301 7.579 1.00 0.00 C ATOM 236 C ARG A 23 7.282 4.842 7.173 1.00 0.00 C ATOM 237 O ARG A 23 8.439 4.445 7.031 1.00 0.00 O ATOM 238 CB ARG A 23 8.153 6.998 8.271 1.00 0.00 C ATOM 239 CG ARG A 23 9.352 7.317 7.387 1.00 0.00 C ATOM 240 CD ARG A 23 10.423 8.069 8.170 1.00 0.00 C ATOM 241 NE ARG A 23 11.039 7.258 9.232 1.00 0.00 N ATOM 242 CZ ARG A 23 11.021 7.533 10.544 1.00 0.00 C ATOM 243 NH1 ARG A 23 10.262 8.513 11.016 1.00 0.00 N ATOM 244 NH2 ARG A 23 11.766 6.814 11.378 1.00 0.00 N ATOM 0 H ARG A 23 5.172 7.144 8.218 1.00 0.00 H new ATOM 0 HA ARG A 23 6.737 6.798 6.636 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.795 7.928 8.712 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.491 6.365 9.092 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.770 6.393 6.987 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.031 7.916 6.535 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.199 8.405 7.482 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.981 8.962 8.613 1.00 0.00 H new ATOM 0 HE ARG A 23 11.524 6.409 8.943 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.686 9.064 10.379 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.254 8.716 12.016 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.348 6.057 11.019 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.756 7.019 12.377 1.00 0.00 H new ATOM 258 N SER A 24 6.249 4.057 6.937 1.00 0.00 N ATOM 259 CA SER A 24 6.413 2.670 6.558 1.00 0.00 C ATOM 260 C SER A 24 5.330 2.288 5.565 1.00 0.00 C ATOM 261 O SER A 24 4.169 2.584 5.814 1.00 0.00 O ATOM 262 CB SER A 24 6.244 1.803 7.804 1.00 0.00 C ATOM 263 OG SER A 24 7.136 2.203 8.830 1.00 0.00 O ATOM 0 H SER A 24 5.278 4.362 7.002 1.00 0.00 H new ATOM 0 HA SER A 24 7.397 2.524 6.113 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.217 1.873 8.163 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.422 0.758 7.550 1.00 0.00 H new ATOM 0 HG SER A 24 6.846 3.064 9.198 1.00 0.00 H new ATOM 269 N CYS A 25 5.680 1.655 4.463 1.00 0.00 N ATOM 270 CA CYS A 25 4.679 1.186 3.555 1.00 0.00 C ATOM 271 C CYS A 25 4.652 -0.311 3.669 1.00 0.00 C ATOM 272 O CYS A 25 5.682 -0.982 3.638 1.00 0.00 O ATOM 273 CB CYS A 25 4.940 1.638 2.126 1.00 0.00 C ATOM 274 SG CYS A 25 4.698 3.423 1.857 1.00 0.00 S ATOM 0 H CYS A 25 6.642 1.460 4.186 1.00 0.00 H new ATOM 0 HA CYS A 25 3.709 1.609 3.815 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.962 1.375 1.854 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.280 1.087 1.456 1.00 0.00 H new ATOM 279 N VAL A 26 3.477 -0.819 3.834 1.00 0.00 N ATOM 280 CA VAL A 26 3.250 -2.214 4.086 1.00 0.00 C ATOM 281 C VAL A 26 2.555 -2.769 2.881 1.00 0.00 C ATOM 282 O VAL A 26 1.478 -2.307 2.513 1.00 0.00 O ATOM 283 CB VAL A 26 2.372 -2.317 5.337 1.00 0.00 C ATOM 284 CG1 VAL A 26 2.266 -3.705 5.895 1.00 0.00 C ATOM 285 CG2 VAL A 26 2.923 -1.416 6.372 1.00 0.00 C ATOM 0 H VAL A 26 2.621 -0.266 3.797 1.00 0.00 H new ATOM 0 HA VAL A 26 4.170 -2.773 4.257 1.00 0.00 H new ATOM 0 HB VAL A 26 1.363 -2.030 5.042 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.628 -3.694 6.779 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.835 -4.367 5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.258 -4.064 6.168 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.310 -1.476 7.271 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.944 -1.715 6.609 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.922 -0.391 6.000 1.00 0.00 H new ATOM 295 N TYR A 27 3.198 -3.714 2.262 1.00 0.00 N ATOM 296 CA TYR A 27 2.741 -4.264 1.017 1.00 0.00 C ATOM 297 C TYR A 27 1.879 -5.470 1.235 1.00 0.00 C ATOM 298 O TYR A 27 2.241 -6.384 1.984 1.00 0.00 O ATOM 299 CB TYR A 27 3.928 -4.539 0.089 1.00 0.00 C ATOM 300 CG TYR A 27 4.563 -3.250 -0.379 1.00 0.00 C ATOM 301 CD1 TYR A 27 4.378 -2.799 -1.674 1.00 0.00 C ATOM 302 CD2 TYR A 27 5.291 -2.452 0.491 1.00 0.00 C ATOM 303 CE1 TYR A 27 4.900 -1.589 -2.085 1.00 0.00 C ATOM 304 CE2 TYR A 27 5.821 -1.252 0.084 1.00 0.00 C ATOM 305 CZ TYR A 27 5.621 -0.823 -1.201 1.00 0.00 C ATOM 306 OH TYR A 27 6.133 0.386 -1.604 1.00 0.00 O ATOM 0 H TYR A 27 4.062 -4.130 2.609 1.00 0.00 H new ATOM 0 HA TYR A 27 2.108 -3.529 0.520 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.669 -5.144 0.611 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.594 -5.117 -0.773 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.817 -3.402 -2.373 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.444 -2.781 1.508 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.742 -1.246 -3.097 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.393 -0.650 0.774 1.00 0.00 H new ATOM 0 HH TYR A 27 5.762 1.101 -1.046 1.00 0.00 H new ATOM 316 N TYR A 28 0.733 -5.448 0.610 1.00 0.00 N ATOM 317 CA TYR A 28 -0.213 -6.505 0.702 1.00 0.00 C ATOM 318 C TYR A 28 -0.548 -7.027 -0.673 1.00 0.00 C ATOM 319 O TYR A 28 -0.685 -6.264 -1.621 1.00 0.00 O ATOM 320 CB TYR A 28 -1.504 -6.062 1.391 1.00 0.00 C ATOM 321 CG TYR A 28 -1.385 -5.718 2.860 1.00 0.00 C ATOM 322 CD1 TYR A 28 -1.090 -4.431 3.308 1.00 0.00 C ATOM 323 CD2 TYR A 28 -1.578 -6.705 3.811 1.00 0.00 C ATOM 324 CE1 TYR A 28 -0.995 -4.166 4.660 1.00 0.00 C ATOM 325 CE2 TYR A 28 -1.487 -6.445 5.154 1.00 0.00 C ATOM 326 CZ TYR A 28 -1.193 -5.174 5.577 1.00 0.00 C ATOM 327 OH TYR A 28 -1.096 -4.907 6.923 1.00 0.00 O ATOM 0 H TYR A 28 0.434 -4.676 0.014 1.00 0.00 H new ATOM 0 HA TYR A 28 0.245 -7.291 1.303 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.894 -5.191 0.864 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.242 -6.857 1.282 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.935 -3.636 2.593 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.807 -7.709 3.486 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.765 -3.167 4.999 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.646 -7.235 5.873 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.265 -5.727 7.432 1.00 0.00 H new ATOM 337 N ASP A 29 -0.634 -8.320 -0.759 1.00 0.00 N ATOM 338 CA ASP A 29 -1.061 -9.019 -1.949 1.00 0.00 C ATOM 339 C ASP A 29 -2.534 -9.255 -1.829 1.00 0.00 C ATOM 340 O ASP A 29 -2.976 -10.099 -1.060 1.00 0.00 O ATOM 341 CB ASP A 29 -0.341 -10.351 -2.031 1.00 0.00 C ATOM 342 CG ASP A 29 -0.949 -11.373 -2.985 1.00 0.00 C ATOM 343 OD1 ASP A 29 -0.963 -12.578 -2.658 1.00 0.00 O ATOM 344 OD2 ASP A 29 -1.457 -11.018 -4.057 1.00 0.00 O ATOM 0 H ASP A 29 -0.404 -8.942 0.016 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.836 -8.438 -2.843 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.690 -10.168 -2.333 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.308 -10.788 -1.033 1.00 0.00 H new ATOM 349 N GLY A 30 -3.287 -8.470 -2.504 1.00 0.00 N ATOM 350 CA GLY A 30 -4.697 -8.653 -2.473 1.00 0.00 C ATOM 351 C GLY A 30 -5.357 -7.801 -3.468 1.00 0.00 C ATOM 352 O GLY A 30 -5.147 -6.596 -3.502 1.00 0.00 O ATOM 0 H GLY A 30 -2.958 -7.697 -3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.936 -9.698 -2.667 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.076 -8.419 -1.478 1.00 0.00 H new ATOM 356 N HIS A 31 -6.177 -8.416 -4.251 1.00 0.00 N ATOM 357 CA HIS A 31 -6.905 -7.715 -5.292 1.00 0.00 C ATOM 358 C HIS A 31 -8.062 -7.000 -4.613 1.00 0.00 C ATOM 359 O HIS A 31 -8.635 -6.038 -5.123 1.00 0.00 O ATOM 360 CB HIS A 31 -7.389 -8.711 -6.353 1.00 0.00 C ATOM 361 CG HIS A 31 -7.699 -8.080 -7.675 1.00 0.00 C ATOM 362 ND1 HIS A 31 -8.872 -8.232 -8.369 1.00 0.00 N ATOM 363 CD2 HIS A 31 -6.906 -7.319 -8.459 1.00 0.00 C ATOM 364 CE1 HIS A 31 -8.763 -7.578 -9.527 1.00 0.00 C ATOM 365 NE2 HIS A 31 -7.578 -7.004 -9.633 1.00 0.00 N ATOM 0 H HIS A 31 -6.372 -9.416 -4.200 1.00 0.00 H new ATOM 0 HA HIS A 31 -6.276 -6.990 -5.809 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -6.625 -9.476 -6.496 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -8.281 -9.217 -5.984 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -5.903 -7.004 -8.211 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -9.539 -7.525 -10.276 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -7.230 -6.447 -10.413 1.00 0.00 H new ATOM 373 N LEU A 32 -8.358 -7.487 -3.426 1.00 0.00 N ATOM 374 CA LEU A 32 -9.360 -6.964 -2.551 1.00 0.00 C ATOM 375 C LEU A 32 -8.704 -6.817 -1.200 1.00 0.00 C ATOM 376 O LEU A 32 -7.878 -7.660 -0.832 1.00 0.00 O ATOM 377 CB LEU A 32 -10.550 -7.922 -2.375 1.00 0.00 C ATOM 378 CG LEU A 32 -11.565 -8.060 -3.509 1.00 0.00 C ATOM 379 CD1 LEU A 32 -11.005 -8.753 -4.743 1.00 0.00 C ATOM 380 CD2 LEU A 32 -12.800 -8.776 -3.009 1.00 0.00 C ATOM 0 H LEU A 32 -7.877 -8.298 -3.036 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.739 -6.031 -2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.146 -8.914 -2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.094 -7.611 -1.483 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.825 -7.050 -3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.779 -8.817 -5.507 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.160 -8.182 -5.129 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.674 -9.757 -4.478 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.520 -8.871 -3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.525 -9.768 -2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.246 -8.206 -2.194 1.00 0.00 H new ATOM 392 N PRO A 33 -9.039 -5.770 -0.440 1.00 0.00 N ATOM 393 CA PRO A 33 -8.553 -5.605 0.930 1.00 0.00 C ATOM 394 C PRO A 33 -9.129 -6.689 1.855 1.00 0.00 C ATOM 395 O PRO A 33 -8.760 -6.802 3.017 1.00 0.00 O ATOM 396 CB PRO A 33 -9.040 -4.212 1.336 1.00 0.00 C ATOM 397 CG PRO A 33 -10.148 -3.889 0.398 1.00 0.00 C ATOM 398 CD PRO A 33 -9.859 -4.625 -0.874 1.00 0.00 C ATOM 0 HA PRO A 33 -7.470 -5.702 1.003 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.386 -4.203 2.370 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -8.237 -3.479 1.262 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.109 -4.195 0.813 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.205 -2.815 0.220 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.776 -4.953 -1.364 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.324 -3.997 -1.587 1.00 0.00 H new ATOM 406 N ALA A 34 -10.053 -7.476 1.333 1.00 0.00 N ATOM 407 CA ALA A 34 -10.596 -8.601 2.067 1.00 0.00 C ATOM 408 C ALA A 34 -9.584 -9.755 2.111 1.00 0.00 C ATOM 409 O ALA A 34 -9.191 -10.213 3.182 1.00 0.00 O ATOM 410 CB ALA A 34 -11.900 -9.066 1.435 1.00 0.00 C ATOM 0 H ALA A 34 -10.443 -7.354 0.399 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.798 -8.280 3.089 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.296 -9.912 1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.623 -8.250 1.450 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.717 -9.370 0.404 1.00 0.00 H new ATOM 416 N THR A 35 -9.116 -10.166 0.949 1.00 0.00 N ATOM 417 CA THR A 35 -8.249 -11.329 0.782 1.00 0.00 C ATOM 418 C THR A 35 -6.753 -10.982 0.693 1.00 0.00 C ATOM 419 O THR A 35 -5.955 -11.766 0.175 1.00 0.00 O ATOM 420 CB THR A 35 -8.696 -12.016 -0.511 1.00 0.00 C ATOM 421 OG1 THR A 35 -8.947 -10.988 -1.491 1.00 0.00 O ATOM 422 CG2 THR A 35 -9.963 -12.826 -0.293 1.00 0.00 C ATOM 0 H THR A 35 -9.330 -9.693 0.071 1.00 0.00 H new ATOM 0 HA THR A 35 -8.346 -11.968 1.660 1.00 0.00 H new ATOM 0 HB THR A 35 -7.917 -12.700 -0.847 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.234 -11.401 -2.332 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.256 -13.302 -1.229 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.780 -13.591 0.462 1.00 0.00 H new ATOM 0 HG23 THR A 35 -10.763 -12.167 0.045 1.00 0.00 H new ATOM 430 N ARG A 36 -6.385 -9.829 1.218 1.00 0.00 N ATOM 431 CA ARG A 36 -5.003 -9.343 1.193 1.00 0.00 C ATOM 432 C ARG A 36 -4.049 -10.227 2.026 1.00 0.00 C ATOM 433 O ARG A 36 -4.471 -10.912 2.962 1.00 0.00 O ATOM 434 CB ARG A 36 -4.996 -7.902 1.692 1.00 0.00 C ATOM 435 CG ARG A 36 -5.225 -7.766 3.186 1.00 0.00 C ATOM 436 CD ARG A 36 -5.802 -6.419 3.549 1.00 0.00 C ATOM 437 NE ARG A 36 -5.165 -5.293 2.871 1.00 0.00 N ATOM 438 CZ ARG A 36 -4.793 -4.167 3.460 1.00 0.00 C ATOM 439 NH1 ARG A 36 -4.752 -4.071 4.786 1.00 0.00 N ATOM 440 NH2 ARG A 36 -4.421 -3.131 2.721 1.00 0.00 N ATOM 0 H ARG A 36 -7.035 -9.193 1.679 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.631 -9.390 0.169 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.040 -7.445 1.438 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.767 -7.341 1.164 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.901 -8.552 3.522 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.281 -7.910 3.712 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.866 -6.416 3.313 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.714 -6.277 4.626 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.994 -5.381 1.869 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.009 -4.871 5.363 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.463 -3.197 5.225 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.422 -3.204 1.704 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.134 -2.261 3.170 1.00 0.00 H new ATOM 454 N VAL A 37 -2.774 -10.224 1.662 1.00 0.00 N ATOM 455 CA VAL A 37 -1.740 -11.014 2.328 1.00 0.00 C ATOM 456 C VAL A 37 -0.577 -10.089 2.591 1.00 0.00 C ATOM 457 O VAL A 37 -0.298 -9.240 1.767 1.00 0.00 O ATOM 458 CB VAL A 37 -1.226 -12.148 1.394 1.00 0.00 C ATOM 459 CG1 VAL A 37 -0.166 -13.019 2.051 1.00 0.00 C ATOM 460 CG2 VAL A 37 -2.357 -12.996 0.852 1.00 0.00 C ATOM 0 H VAL A 37 -2.421 -9.666 0.885 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.147 -11.453 3.239 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.751 -11.643 0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.154 -13.792 1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.690 -12.404 2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.581 -13.487 2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.951 -13.774 0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.895 -13.457 1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.040 -12.369 0.279 1.00 0.00 H new ATOM 470 N LEU A 38 0.077 -10.223 3.714 1.00 0.00 N ATOM 471 CA LEU A 38 1.237 -9.403 3.980 1.00 0.00 C ATOM 472 C LEU A 38 2.408 -9.879 3.143 1.00 0.00 C ATOM 473 O LEU A 38 2.770 -11.056 3.169 1.00 0.00 O ATOM 474 CB LEU A 38 1.657 -9.436 5.444 1.00 0.00 C ATOM 475 CG LEU A 38 2.949 -8.674 5.753 1.00 0.00 C ATOM 476 CD1 LEU A 38 2.780 -7.180 5.549 1.00 0.00 C ATOM 477 CD2 LEU A 38 3.460 -8.992 7.138 1.00 0.00 C ATOM 0 H LEU A 38 -0.166 -10.882 4.453 1.00 0.00 H new ATOM 0 HA LEU A 38 0.959 -8.380 3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.852 -9.020 6.049 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.781 -10.475 5.750 1.00 0.00 H new ATOM 0 HG LEU A 38 3.703 -9.012 5.042 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.717 -6.673 5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.505 -6.983 4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.996 -6.809 6.209 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.378 -8.434 7.324 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.709 -8.711 7.876 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.663 -10.060 7.215 1.00 0.00 H new ATOM 489 N LEU A 39 2.952 -8.989 2.361 1.00 0.00 N ATOM 490 CA LEU A 39 4.143 -9.291 1.623 1.00 0.00 C ATOM 491 C LEU A 39 5.351 -8.897 2.446 1.00 0.00 C ATOM 492 O LEU A 39 6.119 -9.757 2.869 1.00 0.00 O ATOM 493 CB LEU A 39 4.126 -8.594 0.266 1.00 0.00 C ATOM 494 CG LEU A 39 3.031 -9.077 -0.681 1.00 0.00 C ATOM 495 CD1 LEU A 39 3.013 -8.255 -1.953 1.00 0.00 C ATOM 496 CD2 LEU A 39 3.253 -10.544 -1.006 1.00 0.00 C ATOM 0 H LEU A 39 2.588 -8.047 2.219 1.00 0.00 H new ATOM 0 HA LEU A 39 4.194 -10.362 1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.005 -7.522 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.094 -8.738 -0.214 1.00 0.00 H new ATOM 0 HG LEU A 39 2.065 -8.956 -0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.224 -8.620 -2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.827 -7.209 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.975 -8.344 -2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.471 -10.889 -1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.226 -10.668 -1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.222 -11.129 -0.087 1.00 0.00 H new ATOM 508 N MET A 40 5.442 -7.615 2.763 1.00 0.00 N ATOM 509 CA MET A 40 6.582 -7.063 3.490 1.00 0.00 C ATOM 510 C MET A 40 6.354 -5.624 3.879 1.00 0.00 C ATOM 511 O MET A 40 5.405 -4.977 3.428 1.00 0.00 O ATOM 512 CB MET A 40 7.894 -7.131 2.693 1.00 0.00 C ATOM 513 CG MET A 40 7.924 -6.312 1.422 1.00 0.00 C ATOM 514 SD MET A 40 9.577 -6.252 0.692 1.00 0.00 S ATOM 515 CE MET A 40 9.871 -7.983 0.311 1.00 0.00 C ATOM 0 H MET A 40 4.729 -6.925 2.525 1.00 0.00 H new ATOM 0 HA MET A 40 6.673 -7.687 4.379 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.708 -6.800 3.338 1.00 0.00 H new ATOM 0 HB3 MET A 40 8.091 -8.172 2.439 1.00 0.00 H new ATOM 0 HG2 MET A 40 7.225 -6.736 0.701 1.00 0.00 H new ATOM 0 HG3 MET A 40 7.585 -5.298 1.636 1.00 0.00 H new ATOM 0 HE1 MET A 40 10.738 -8.069 -0.344 1.00 0.00 H new ATOM 0 HE2 MET A 40 10.058 -8.532 1.234 1.00 0.00 H new ATOM 0 HE3 MET A 40 8.996 -8.399 -0.188 1.00 0.00 H new ATOM 525 N TYR A 41 7.247 -5.157 4.712 1.00 0.00 N ATOM 526 CA TYR A 41 7.299 -3.791 5.174 1.00 0.00 C ATOM 527 C TYR A 41 8.480 -3.095 4.520 1.00 0.00 C ATOM 528 O TYR A 41 9.591 -3.633 4.504 1.00 0.00 O ATOM 529 CB TYR A 41 7.483 -3.743 6.693 1.00 0.00 C ATOM 530 CG TYR A 41 6.280 -4.161 7.505 1.00 0.00 C ATOM 531 CD1 TYR A 41 5.504 -3.202 8.126 1.00 0.00 C ATOM 532 CD2 TYR A 41 5.914 -5.493 7.656 1.00 0.00 C ATOM 533 CE1 TYR A 41 4.404 -3.550 8.869 1.00 0.00 C ATOM 534 CE2 TYR A 41 4.806 -5.843 8.404 1.00 0.00 C ATOM 535 CZ TYR A 41 4.057 -4.862 9.008 1.00 0.00 C ATOM 536 OH TYR A 41 2.945 -5.193 9.752 1.00 0.00 O ATOM 0 H TYR A 41 7.988 -5.739 5.103 1.00 0.00 H new ATOM 0 HA TYR A 41 6.364 -3.295 4.912 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.322 -4.385 6.961 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.756 -2.727 6.977 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.768 -2.160 8.025 1.00 0.00 H new ATOM 0 HD2 TYR A 41 6.503 -6.265 7.183 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.811 -2.783 9.345 1.00 0.00 H new ATOM 0 HE2 TYR A 41 4.530 -6.882 8.513 1.00 0.00 H new ATOM 0 HH TYR A 41 2.831 -6.166 9.754 1.00 0.00 H new ATOM 546 N VAL A 42 8.240 -1.941 3.959 1.00 0.00 N ATOM 547 CA VAL A 42 9.280 -1.133 3.368 1.00 0.00 C ATOM 548 C VAL A 42 9.302 0.160 4.139 1.00 0.00 C ATOM 549 O VAL A 42 8.243 0.721 4.431 1.00 0.00 O ATOM 550 CB VAL A 42 9.022 -0.838 1.877 1.00 0.00 C ATOM 551 CG1 VAL A 42 10.186 -0.074 1.253 1.00 0.00 C ATOM 552 CG2 VAL A 42 8.787 -2.127 1.133 1.00 0.00 C ATOM 0 H VAL A 42 7.309 -1.528 3.897 1.00 0.00 H new ATOM 0 HA VAL A 42 10.229 -1.666 3.418 1.00 0.00 H new ATOM 0 HB VAL A 42 8.133 -0.211 1.803 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.973 0.118 0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.321 0.873 1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.097 -0.667 1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.605 -1.911 0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.665 -2.766 1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.920 -2.637 1.554 1.00 0.00 H new ATOM 562 N ARG A 43 10.466 0.624 4.498 1.00 0.00 N ATOM 563 CA ARG A 43 10.544 1.838 5.256 1.00 0.00 C ATOM 564 C ARG A 43 10.430 2.977 4.267 1.00 0.00 C ATOM 565 O ARG A 43 11.099 2.961 3.230 1.00 0.00 O ATOM 566 CB ARG A 43 11.861 1.917 6.029 1.00 0.00 C ATOM 567 CG ARG A 43 11.833 2.894 7.195 1.00 0.00 C ATOM 568 CD ARG A 43 10.839 2.418 8.250 1.00 0.00 C ATOM 569 NE ARG A 43 10.809 3.248 9.458 1.00 0.00 N ATOM 570 CZ ARG A 43 11.564 3.059 10.552 1.00 0.00 C ATOM 571 NH1 ARG A 43 12.503 2.114 10.576 1.00 0.00 N ATOM 572 NH2 ARG A 43 11.356 3.808 11.633 1.00 0.00 N ATOM 0 H ARG A 43 11.362 0.187 4.281 1.00 0.00 H new ATOM 0 HA ARG A 43 9.745 1.884 5.996 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.111 0.925 6.405 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.657 2.208 5.343 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.828 2.979 7.633 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.554 3.887 6.842 1.00 0.00 H new ATOM 0 HD2 ARG A 43 9.841 2.397 7.811 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.085 1.394 8.531 1.00 0.00 H new ATOM 0 HE ARG A 43 10.160 4.035 9.468 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.655 1.525 9.757 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.070 1.980 11.413 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.626 4.521 11.627 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.926 3.669 12.467 1.00 0.00 H new ATOM 586 N ILE A 44 9.549 3.912 4.547 1.00 0.00 N ATOM 587 CA ILE A 44 9.361 5.056 3.652 1.00 0.00 C ATOM 588 C ILE A 44 10.652 5.842 3.427 1.00 0.00 C ATOM 589 O ILE A 44 11.298 6.334 4.359 1.00 0.00 O ATOM 590 CB ILE A 44 8.166 5.974 4.034 1.00 0.00 C ATOM 591 CG1 ILE A 44 6.857 5.218 3.794 1.00 0.00 C ATOM 592 CG2 ILE A 44 8.181 7.290 3.254 1.00 0.00 C ATOM 593 CD1 ILE A 44 5.598 5.997 4.120 1.00 0.00 C ATOM 0 H ILE A 44 8.953 3.913 5.375 1.00 0.00 H new ATOM 0 HA ILE A 44 9.085 4.618 2.693 1.00 0.00 H new ATOM 0 HB ILE A 44 8.255 6.233 5.089 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.817 4.914 2.748 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.867 4.306 4.391 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.328 7.900 3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.105 7.828 3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.121 7.081 2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.724 5.378 3.917 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.607 6.279 5.173 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.556 6.896 3.504 1.00 0.00 H new ATOM 605 N GLY A 45 11.004 5.888 2.168 1.00 0.00 N ATOM 606 CA GLY A 45 12.169 6.545 1.667 1.00 0.00 C ATOM 607 C GLY A 45 12.974 5.561 0.857 1.00 0.00 C ATOM 608 O GLY A 45 13.646 5.924 -0.116 1.00 0.00 O ATOM 0 H GLY A 45 10.454 5.444 1.433 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.885 7.398 1.050 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.767 6.933 2.492 1.00 0.00 H new ATOM 612 N ASN A 46 12.805 4.299 1.202 1.00 0.00 N ATOM 613 CA ASN A 46 13.608 3.213 0.675 1.00 0.00 C ATOM 614 C ASN A 46 12.889 2.437 -0.416 1.00 0.00 C ATOM 615 O ASN A 46 11.678 2.573 -0.630 1.00 0.00 O ATOM 616 CB ASN A 46 13.984 2.307 1.841 1.00 0.00 C ATOM 617 CG ASN A 46 14.996 1.208 1.552 1.00 0.00 C ATOM 618 OD1 ASN A 46 15.844 1.332 0.669 1.00 0.00 O ATOM 619 ND2 ASN A 46 14.937 0.143 2.312 1.00 0.00 N ATOM 0 H ASN A 46 12.094 3.995 1.867 1.00 0.00 H new ATOM 0 HA ASN A 46 14.502 3.621 0.204 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.378 2.931 2.643 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.073 1.841 2.218 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.607 -0.615 2.181 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.221 0.072 3.035 1.00 0.00 H new ATOM 626 N THR A 47 13.661 1.651 -1.101 1.00 0.00 N ATOM 627 CA THR A 47 13.225 0.797 -2.171 1.00 0.00 C ATOM 628 C THR A 47 13.168 -0.641 -1.688 1.00 0.00 C ATOM 629 O THR A 47 13.773 -0.990 -0.668 1.00 0.00 O ATOM 630 CB THR A 47 14.214 0.887 -3.339 1.00 0.00 C ATOM 631 OG1 THR A 47 15.555 0.801 -2.825 1.00 0.00 O ATOM 632 CG2 THR A 47 14.050 2.170 -4.133 1.00 0.00 C ATOM 0 H THR A 47 14.663 1.582 -0.923 1.00 0.00 H new ATOM 0 HA THR A 47 12.236 1.117 -2.498 1.00 0.00 H new ATOM 0 HB THR A 47 14.010 0.059 -4.018 1.00 0.00 H new ATOM 0 HG1 THR A 47 16.194 0.856 -3.566 1.00 0.00 H new ATOM 0 HG21 THR A 47 14.772 2.188 -4.949 1.00 0.00 H new ATOM 0 HG22 THR A 47 13.040 2.219 -4.541 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.220 3.026 -3.480 1.00 0.00 H new ATOM 640 N ALA A 48 12.440 -1.455 -2.403 1.00 0.00 N ATOM 641 CA ALA A 48 12.351 -2.879 -2.098 1.00 0.00 C ATOM 642 C ALA A 48 11.925 -3.678 -3.315 1.00 0.00 C ATOM 643 O ALA A 48 11.157 -3.194 -4.153 1.00 0.00 O ATOM 644 CB ALA A 48 11.394 -3.145 -0.950 1.00 0.00 C ATOM 0 H ALA A 48 11.890 -1.164 -3.211 1.00 0.00 H new ATOM 0 HA ALA A 48 13.349 -3.201 -1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.353 -4.216 -0.751 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.741 -2.623 -0.058 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.399 -2.787 -1.215 1.00 0.00 H new ATOM 650 N THR A 49 12.439 -4.882 -3.411 1.00 0.00 N ATOM 651 CA THR A 49 12.113 -5.800 -4.472 1.00 0.00 C ATOM 652 C THR A 49 11.065 -6.776 -3.931 1.00 0.00 C ATOM 653 O THR A 49 11.360 -7.600 -3.058 1.00 0.00 O ATOM 654 CB THR A 49 13.375 -6.585 -4.859 1.00 0.00 C ATOM 655 OG1 THR A 49 14.490 -5.682 -4.916 1.00 0.00 O ATOM 656 CG2 THR A 49 13.205 -7.248 -6.215 1.00 0.00 C ATOM 0 H THR A 49 13.109 -5.256 -2.739 1.00 0.00 H new ATOM 0 HA THR A 49 11.735 -5.268 -5.345 1.00 0.00 H new ATOM 0 HB THR A 49 13.548 -7.359 -4.111 1.00 0.00 H new ATOM 0 HG1 THR A 49 14.359 -5.046 -5.650 1.00 0.00 H new ATOM 0 HG21 THR A 49 14.112 -7.798 -6.467 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.361 -7.937 -6.180 1.00 0.00 H new ATOM 0 HG23 THR A 49 13.020 -6.486 -6.972 1.00 0.00 H new ATOM 664 N ILE A 50 9.849 -6.652 -4.393 1.00 0.00 N ATOM 665 CA ILE A 50 8.773 -7.492 -3.908 1.00 0.00 C ATOM 666 C ILE A 50 8.595 -8.644 -4.864 1.00 0.00 C ATOM 667 O ILE A 50 8.175 -8.424 -5.985 1.00 0.00 O ATOM 668 CB ILE A 50 7.405 -6.756 -3.915 1.00 0.00 C ATOM 669 CG1 ILE A 50 7.506 -5.279 -3.507 1.00 0.00 C ATOM 670 CG2 ILE A 50 6.404 -7.486 -3.028 1.00 0.00 C ATOM 671 CD1 ILE A 50 8.083 -5.035 -2.145 1.00 0.00 C ATOM 0 H ILE A 50 9.573 -5.977 -5.106 1.00 0.00 H new ATOM 0 HA ILE A 50 9.039 -7.793 -2.895 1.00 0.00 H new ATOM 0 HB ILE A 50 7.055 -6.767 -4.947 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.117 -4.756 -4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.510 -4.838 -3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.451 -6.958 -3.044 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.262 -8.501 -3.398 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.782 -7.522 -2.006 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.113 -3.963 -1.949 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.462 -5.524 -1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 50 9.094 -5.440 -2.100 1.00 0.00 H new ATOM 683 N THR A 51 8.926 -9.838 -4.472 1.00 0.00 N ATOM 684 CA THR A 51 8.598 -10.945 -5.333 1.00 0.00 C ATOM 685 C THR A 51 7.234 -11.480 -4.921 1.00 0.00 C ATOM 686 O THR A 51 6.989 -11.787 -3.739 1.00 0.00 O ATOM 687 CB THR A 51 9.666 -12.068 -5.336 1.00 0.00 C ATOM 688 OG1 THR A 51 10.905 -11.567 -5.860 1.00 0.00 O ATOM 689 CG2 THR A 51 9.220 -13.255 -6.181 1.00 0.00 C ATOM 0 H THR A 51 9.403 -10.071 -3.601 1.00 0.00 H new ATOM 0 HA THR A 51 8.573 -10.581 -6.360 1.00 0.00 H new ATOM 0 HB THR A 51 9.799 -12.399 -4.306 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.980 -11.807 -6.807 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.991 -14.025 -6.162 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.292 -13.661 -5.778 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.057 -12.929 -7.208 1.00 0.00 H new ATOM 697 N ALA A 52 6.350 -11.530 -5.877 1.00 0.00 N ATOM 698 CA ALA A 52 5.025 -12.049 -5.689 1.00 0.00 C ATOM 699 C ALA A 52 4.620 -12.711 -6.982 1.00 0.00 C ATOM 700 O ALA A 52 4.698 -12.080 -8.031 1.00 0.00 O ATOM 701 CB ALA A 52 4.066 -10.927 -5.316 1.00 0.00 C ATOM 0 H ALA A 52 6.534 -11.205 -6.826 1.00 0.00 H new ATOM 0 HA ALA A 52 4.998 -12.772 -4.874 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.065 -11.335 -5.177 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.398 -10.457 -4.390 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.047 -10.184 -6.114 1.00 0.00 H new ATOM 707 N ARG A 53 4.265 -13.995 -6.919 1.00 0.00 N ATOM 708 CA ARG A 53 3.887 -14.806 -8.093 1.00 0.00 C ATOM 709 C ARG A 53 5.049 -14.933 -9.065 1.00 0.00 C ATOM 710 O ARG A 53 4.872 -15.238 -10.246 1.00 0.00 O ATOM 711 CB ARG A 53 2.651 -14.239 -8.793 1.00 0.00 C ATOM 712 CG ARG A 53 1.396 -14.343 -7.962 1.00 0.00 C ATOM 713 CD ARG A 53 0.269 -13.542 -8.575 1.00 0.00 C ATOM 714 NE ARG A 53 -0.978 -13.691 -7.821 1.00 0.00 N ATOM 715 CZ ARG A 53 -1.252 -13.121 -6.639 1.00 0.00 C ATOM 716 NH1 ARG A 53 -0.325 -12.466 -5.966 1.00 0.00 N ATOM 717 NH2 ARG A 53 -2.452 -13.251 -6.105 1.00 0.00 N ATOM 0 H ARG A 53 4.229 -14.515 -6.042 1.00 0.00 H new ATOM 0 HA ARG A 53 3.634 -15.803 -7.733 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.830 -13.192 -9.040 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.500 -14.767 -9.734 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.099 -15.388 -7.876 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.594 -13.984 -6.952 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.549 -12.489 -8.610 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.112 -13.865 -9.604 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.702 -14.281 -8.232 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.619 -12.387 -6.344 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.553 -12.039 -5.068 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.172 -13.785 -6.592 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.660 -12.817 -5.206 1.00 0.00 H new ATOM 731 N GLY A 54 6.237 -14.762 -8.536 1.00 0.00 N ATOM 732 CA GLY A 54 7.436 -14.800 -9.338 1.00 0.00 C ATOM 733 C GLY A 54 7.681 -13.498 -10.081 1.00 0.00 C ATOM 734 O GLY A 54 8.483 -13.453 -11.009 1.00 0.00 O ATOM 0 H GLY A 54 6.399 -14.594 -7.543 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.291 -15.015 -8.697 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.363 -15.616 -10.057 1.00 0.00 H new ATOM 738 N HIS A 55 6.964 -12.449 -9.716 1.00 0.00 N ATOM 739 CA HIS A 55 7.170 -11.134 -10.312 1.00 0.00 C ATOM 740 C HIS A 55 7.931 -10.318 -9.298 1.00 0.00 C ATOM 741 O HIS A 55 7.513 -10.266 -8.145 1.00 0.00 O ATOM 742 CB HIS A 55 5.858 -10.341 -10.504 1.00 0.00 C ATOM 743 CG HIS A 55 4.727 -10.922 -11.305 1.00 0.00 C ATOM 744 ND1 HIS A 55 3.854 -10.137 -12.032 1.00 0.00 N ATOM 745 CD2 HIS A 55 4.238 -12.179 -11.380 1.00 0.00 C ATOM 746 CE1 HIS A 55 2.880 -10.914 -12.499 1.00 0.00 C ATOM 747 NE2 HIS A 55 3.066 -12.172 -12.133 1.00 0.00 N ATOM 0 H HIS A 55 6.231 -12.480 -9.008 1.00 0.00 H new ATOM 0 HA HIS A 55 7.658 -11.288 -11.274 1.00 0.00 H new ATOM 0 HB2 HIS A 55 5.468 -10.119 -9.511 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.122 -9.388 -10.964 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.685 -13.052 -10.928 1.00 0.00 H new ATOM 0 HE1 HIS A 55 2.050 -10.565 -13.096 1.00 0.00 H new ATOM 0 HE2 HIS A 55 2.473 -12.972 -12.356 1.00 0.00 H new ATOM 755 N GLU A 56 9.032 -9.725 -9.687 1.00 0.00 N ATOM 756 CA GLU A 56 9.701 -8.780 -8.832 1.00 0.00 C ATOM 757 C GLU A 56 9.166 -7.387 -9.107 1.00 0.00 C ATOM 758 O GLU A 56 9.299 -6.866 -10.220 1.00 0.00 O ATOM 759 CB GLU A 56 11.217 -8.767 -9.030 1.00 0.00 C ATOM 760 CG GLU A 56 11.947 -9.952 -8.449 1.00 0.00 C ATOM 761 CD GLU A 56 11.703 -11.252 -9.153 1.00 0.00 C ATOM 762 OE1 GLU A 56 10.910 -12.054 -8.653 1.00 0.00 O ATOM 763 OE2 GLU A 56 12.313 -11.495 -10.212 1.00 0.00 O ATOM 0 H GLU A 56 9.482 -9.880 -10.589 1.00 0.00 H new ATOM 0 HA GLU A 56 9.503 -9.087 -7.805 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.428 -8.718 -10.098 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.619 -7.857 -8.583 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.017 -9.743 -8.463 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.657 -10.062 -7.404 1.00 0.00 H new ATOM 770 N PHE A 57 8.550 -6.798 -8.124 1.00 0.00 N ATOM 771 CA PHE A 57 8.077 -5.457 -8.218 1.00 0.00 C ATOM 772 C PHE A 57 9.045 -4.643 -7.418 1.00 0.00 C ATOM 773 O PHE A 57 9.064 -4.735 -6.202 1.00 0.00 O ATOM 774 CB PHE A 57 6.690 -5.322 -7.602 1.00 0.00 C ATOM 775 CG PHE A 57 5.623 -6.132 -8.262 1.00 0.00 C ATOM 776 CD1 PHE A 57 4.962 -5.652 -9.380 1.00 0.00 C ATOM 777 CD2 PHE A 57 5.264 -7.363 -7.749 1.00 0.00 C ATOM 778 CE1 PHE A 57 3.960 -6.389 -9.974 1.00 0.00 C ATOM 779 CE2 PHE A 57 4.270 -8.101 -8.337 1.00 0.00 C ATOM 780 CZ PHE A 57 3.616 -7.615 -9.451 1.00 0.00 C ATOM 0 H PHE A 57 8.362 -7.244 -7.226 1.00 0.00 H new ATOM 0 HA PHE A 57 8.006 -5.138 -9.258 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.746 -5.610 -6.552 1.00 0.00 H new ATOM 0 HB3 PHE A 57 6.397 -4.272 -7.630 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.234 -4.691 -9.791 1.00 0.00 H new ATOM 0 HD2 PHE A 57 5.771 -7.748 -6.877 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.448 -6.007 -10.845 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.998 -9.063 -7.928 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.833 -8.198 -9.913 1.00 0.00 H new ATOM 790 N GLU A 58 9.896 -3.908 -8.064 1.00 0.00 N ATOM 791 CA GLU A 58 10.832 -3.145 -7.303 1.00 0.00 C ATOM 792 C GLU A 58 10.270 -1.749 -7.169 1.00 0.00 C ATOM 793 O GLU A 58 10.146 -1.002 -8.145 1.00 0.00 O ATOM 794 CB GLU A 58 12.216 -3.223 -7.924 1.00 0.00 C ATOM 795 CG GLU A 58 13.317 -2.738 -7.027 1.00 0.00 C ATOM 796 CD GLU A 58 14.650 -3.245 -7.484 1.00 0.00 C ATOM 797 OE1 GLU A 58 15.344 -2.567 -8.263 1.00 0.00 O ATOM 798 OE2 GLU A 58 15.019 -4.373 -7.112 1.00 0.00 O ATOM 0 H GLU A 58 9.962 -3.821 -9.078 1.00 0.00 H new ATOM 0 HA GLU A 58 10.969 -3.543 -6.298 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.419 -4.256 -8.205 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.224 -2.636 -8.842 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.325 -1.648 -7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.130 -3.069 -6.005 1.00 0.00 H new ATOM 805 N VAL A 59 9.882 -1.442 -5.966 1.00 0.00 N ATOM 806 CA VAL A 59 9.198 -0.216 -5.632 1.00 0.00 C ATOM 807 C VAL A 59 10.101 0.711 -4.880 1.00 0.00 C ATOM 808 O VAL A 59 11.193 0.334 -4.441 1.00 0.00 O ATOM 809 CB VAL A 59 7.969 -0.477 -4.721 1.00 0.00 C ATOM 810 CG1 VAL A 59 6.914 -1.332 -5.387 1.00 0.00 C ATOM 811 CG2 VAL A 59 8.407 -1.122 -3.430 1.00 0.00 C ATOM 0 H VAL A 59 10.035 -2.052 -5.163 1.00 0.00 H new ATOM 0 HA VAL A 59 8.883 0.223 -6.578 1.00 0.00 H new ATOM 0 HB VAL A 59 7.516 0.494 -4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.080 -1.480 -4.701 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.559 -0.834 -6.289 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.343 -2.299 -5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.536 -1.300 -2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.899 -2.070 -3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.102 -0.462 -2.911 1.00 0.00 H new ATOM 821 N GLU A 60 9.614 1.904 -4.745 1.00 0.00 N ATOM 822 CA GLU A 60 10.210 2.912 -3.947 1.00 0.00 C ATOM 823 C GLU A 60 9.084 3.458 -3.106 1.00 0.00 C ATOM 824 O GLU A 60 8.201 4.157 -3.614 1.00 0.00 O ATOM 825 CB GLU A 60 10.849 3.994 -4.815 1.00 0.00 C ATOM 826 CG GLU A 60 11.475 5.133 -4.029 1.00 0.00 C ATOM 827 CD GLU A 60 12.176 6.126 -4.917 1.00 0.00 C ATOM 828 OE1 GLU A 60 13.377 6.390 -4.717 1.00 0.00 O ATOM 829 OE2 GLU A 60 11.562 6.650 -5.866 1.00 0.00 O ATOM 0 H GLU A 60 8.757 2.208 -5.208 1.00 0.00 H new ATOM 0 HA GLU A 60 11.019 2.524 -3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.614 3.536 -5.442 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.091 4.402 -5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.701 5.644 -3.457 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.187 4.727 -3.310 1.00 0.00 H new ATOM 836 N ALA A 61 9.057 3.065 -1.853 1.00 0.00 N ATOM 837 CA ALA A 61 8.029 3.543 -0.951 1.00 0.00 C ATOM 838 C ALA A 61 8.437 4.934 -0.553 1.00 0.00 C ATOM 839 O ALA A 61 9.164 5.126 0.396 1.00 0.00 O ATOM 840 CB ALA A 61 7.938 2.653 0.281 1.00 0.00 C ATOM 0 H ALA A 61 9.729 2.421 -1.436 1.00 0.00 H new ATOM 0 HA ALA A 61 7.050 3.531 -1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.160 3.030 0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.694 1.635 -0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.894 2.656 0.804 1.00 0.00 H new ATOM 846 N LYS A 62 8.028 5.890 -1.330 1.00 0.00 N ATOM 847 CA LYS A 62 8.483 7.240 -1.137 1.00 0.00 C ATOM 848 C LYS A 62 7.588 8.176 -0.344 1.00 0.00 C ATOM 849 O LYS A 62 8.088 9.135 0.241 1.00 0.00 O ATOM 850 CB LYS A 62 8.950 7.825 -2.455 1.00 0.00 C ATOM 851 CG LYS A 62 7.929 7.836 -3.579 1.00 0.00 C ATOM 852 CD LYS A 62 8.635 7.934 -4.923 1.00 0.00 C ATOM 853 CE LYS A 62 9.586 9.121 -4.992 1.00 0.00 C ATOM 854 NZ LYS A 62 10.422 9.105 -6.207 1.00 0.00 N ATOM 0 H LYS A 62 7.379 5.764 -2.106 1.00 0.00 H new ATOM 0 HA LYS A 62 9.329 7.150 -0.455 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.278 8.850 -2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.823 7.264 -2.789 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.325 6.929 -3.542 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.248 8.678 -3.454 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.191 7.015 -5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.892 8.020 -5.716 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.010 10.046 -4.963 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.229 9.119 -4.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.952 9.997 -6.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.089 8.309 -6.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.815 8.998 -7.045 1.00 0.00 H new ATOM 868 N ASP A 63 6.298 7.933 -0.293 1.00 0.00 N ATOM 869 CA ASP A 63 5.428 8.874 0.373 1.00 0.00 C ATOM 870 C ASP A 63 4.435 8.148 1.263 1.00 0.00 C ATOM 871 O ASP A 63 4.166 6.966 1.048 1.00 0.00 O ATOM 872 CB ASP A 63 4.713 9.728 -0.674 1.00 0.00 C ATOM 873 CG ASP A 63 3.765 10.736 -0.082 1.00 0.00 C ATOM 874 OD1 ASP A 63 4.194 11.841 0.302 1.00 0.00 O ATOM 875 OD2 ASP A 63 2.576 10.410 0.038 1.00 0.00 O ATOM 0 H ASP A 63 5.838 7.115 -0.693 1.00 0.00 H new ATOM 0 HA ASP A 63 6.022 9.527 1.013 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.457 10.250 -1.275 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.160 9.074 -1.349 1.00 0.00 H new ATOM 880 N GLN A 64 3.884 8.878 2.227 1.00 0.00 N ATOM 881 CA GLN A 64 2.919 8.409 3.228 1.00 0.00 C ATOM 882 C GLN A 64 1.653 7.838 2.619 1.00 0.00 C ATOM 883 O GLN A 64 0.910 7.110 3.284 1.00 0.00 O ATOM 884 CB GLN A 64 2.518 9.576 4.113 1.00 0.00 C ATOM 885 CG GLN A 64 1.950 10.759 3.324 1.00 0.00 C ATOM 886 CD GLN A 64 1.716 12.017 4.133 1.00 0.00 C ATOM 887 OE1 GLN A 64 2.606 12.850 4.256 1.00 0.00 O ATOM 888 NE2 GLN A 64 0.522 12.203 4.637 1.00 0.00 N ATOM 0 H GLN A 64 4.107 9.867 2.341 1.00 0.00 H new ATOM 0 HA GLN A 64 3.412 7.614 3.788 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.775 9.238 4.835 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.387 9.909 4.681 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.633 10.993 2.507 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.006 10.455 2.873 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.198 11.491 4.518 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.312 13.060 5.149 1.00 0.00 H new ATOM 897 N ASN A 65 1.386 8.191 1.377 1.00 0.00 N ATOM 898 CA ASN A 65 0.203 7.700 0.705 1.00 0.00 C ATOM 899 C ASN A 65 0.408 6.257 0.324 1.00 0.00 C ATOM 900 O ASN A 65 -0.553 5.535 0.059 1.00 0.00 O ATOM 901 CB ASN A 65 -0.165 8.549 -0.522 1.00 0.00 C ATOM 902 CG ASN A 65 -0.794 9.891 -0.170 1.00 0.00 C ATOM 903 OD1 ASN A 65 -2.015 10.000 -0.056 1.00 0.00 O ATOM 904 ND2 ASN A 65 0.004 10.910 0.018 1.00 0.00 N ATOM 0 H ASN A 65 1.969 8.812 0.817 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.637 7.778 1.395 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.733 8.723 -1.115 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.857 7.986 -1.148 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.382 11.821 0.265 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.012 10.793 -0.083 1.00 0.00 H new ATOM 911 N CYS A 66 1.675 5.845 0.314 1.00 0.00 N ATOM 912 CA CYS A 66 2.084 4.496 -0.027 1.00 0.00 C ATOM 913 C CYS A 66 1.535 4.063 -1.365 1.00 0.00 C ATOM 914 O CYS A 66 1.071 2.941 -1.553 1.00 0.00 O ATOM 915 CB CYS A 66 1.774 3.514 1.099 1.00 0.00 C ATOM 916 SG CYS A 66 2.823 3.775 2.567 1.00 0.00 S ATOM 0 H CYS A 66 2.457 6.457 0.548 1.00 0.00 H new ATOM 0 HA CYS A 66 3.168 4.496 -0.138 1.00 0.00 H new ATOM 0 HB2 CYS A 66 0.726 3.613 1.384 1.00 0.00 H new ATOM 0 HB3 CYS A 66 1.911 2.496 0.736 1.00 0.00 H new ATOM 921 N LYS A 67 1.570 4.999 -2.290 1.00 0.00 N ATOM 922 CA LYS A 67 1.214 4.762 -3.639 1.00 0.00 C ATOM 923 C LYS A 67 2.235 3.775 -4.159 1.00 0.00 C ATOM 924 O LYS A 67 3.435 3.928 -3.898 1.00 0.00 O ATOM 925 CB LYS A 67 1.368 6.065 -4.399 1.00 0.00 C ATOM 926 CG LYS A 67 0.619 6.167 -5.713 1.00 0.00 C ATOM 927 CD LYS A 67 -0.865 6.389 -5.473 1.00 0.00 C ATOM 928 CE LYS A 67 -1.708 5.119 -5.479 1.00 0.00 C ATOM 929 NZ LYS A 67 -3.153 5.421 -5.300 1.00 0.00 N ATOM 0 H LYS A 67 1.855 5.960 -2.103 1.00 0.00 H new ATOM 0 HA LYS A 67 0.195 4.391 -3.746 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.039 6.879 -3.753 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.428 6.223 -4.596 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.023 6.989 -6.304 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.766 5.255 -6.292 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.993 6.889 -4.513 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.246 7.065 -6.238 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.560 4.588 -6.419 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.373 4.455 -4.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.697 4.534 -5.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.296 5.906 -4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.478 6.034 -6.075 1.00 0.00 H new ATOM 943 N VAL A 68 1.782 2.774 -4.845 1.00 0.00 N ATOM 944 CA VAL A 68 2.701 1.802 -5.363 1.00 0.00 C ATOM 945 C VAL A 68 3.389 2.373 -6.590 1.00 0.00 C ATOM 946 O VAL A 68 2.821 2.463 -7.683 1.00 0.00 O ATOM 947 CB VAL A 68 2.084 0.388 -5.585 1.00 0.00 C ATOM 948 CG1 VAL A 68 0.847 0.403 -6.479 1.00 0.00 C ATOM 949 CG2 VAL A 68 3.134 -0.572 -6.130 1.00 0.00 C ATOM 0 H VAL A 68 0.799 2.606 -5.059 1.00 0.00 H new ATOM 0 HA VAL A 68 3.456 1.612 -4.600 1.00 0.00 H new ATOM 0 HB VAL A 68 1.749 0.038 -4.608 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.468 -0.613 -6.592 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.078 1.029 -6.026 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.110 0.803 -7.458 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.686 -1.555 -6.279 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.511 -0.197 -7.081 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.957 -0.652 -5.420 1.00 0.00 H new ATOM 959 N ILE A 69 4.585 2.850 -6.369 1.00 0.00 N ATOM 960 CA ILE A 69 5.359 3.422 -7.422 1.00 0.00 C ATOM 961 C ILE A 69 6.557 2.551 -7.593 1.00 0.00 C ATOM 962 O ILE A 69 7.353 2.346 -6.663 1.00 0.00 O ATOM 963 CB ILE A 69 5.790 4.876 -7.109 1.00 0.00 C ATOM 964 CG1 ILE A 69 4.546 5.734 -6.883 1.00 0.00 C ATOM 965 CG2 ILE A 69 6.619 5.446 -8.259 1.00 0.00 C ATOM 966 CD1 ILE A 69 4.819 7.137 -6.376 1.00 0.00 C ATOM 0 H ILE A 69 5.042 2.850 -5.457 1.00 0.00 H new ATOM 0 HA ILE A 69 4.764 3.473 -8.334 1.00 0.00 H new ATOM 0 HB ILE A 69 6.404 4.881 -6.208 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.996 5.804 -7.821 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.897 5.226 -6.170 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.914 6.468 -8.023 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.510 4.835 -8.403 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.025 5.441 -9.173 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.875 7.667 -6.247 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.339 7.083 -5.420 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.439 7.670 -7.097 1.00 0.00 H new ATOM 978 N LEU A 70 6.650 1.999 -8.756 1.00 0.00 N ATOM 979 CA LEU A 70 7.754 1.168 -9.081 1.00 0.00 C ATOM 980 C LEU A 70 8.916 1.997 -9.468 1.00 0.00 C ATOM 981 O LEU A 70 8.811 2.928 -10.260 1.00 0.00 O ATOM 982 CB LEU A 70 7.448 0.173 -10.176 1.00 0.00 C ATOM 983 CG LEU A 70 6.508 -0.964 -9.816 1.00 0.00 C ATOM 984 CD1 LEU A 70 7.051 -1.850 -8.739 1.00 0.00 C ATOM 985 CD2 LEU A 70 5.102 -0.502 -9.511 1.00 0.00 C ATOM 0 H LEU A 70 5.965 2.112 -9.503 1.00 0.00 H new ATOM 0 HA LEU A 70 7.984 0.591 -8.185 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.020 0.715 -11.019 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.389 -0.258 -10.518 1.00 0.00 H new ATOM 0 HG LEU A 70 6.440 -1.573 -10.717 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.335 -2.644 -8.525 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.992 -2.290 -9.070 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.222 -1.263 -7.837 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.482 -1.363 -9.262 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.121 0.188 -8.668 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.688 0.003 -10.384 1.00 0.00 H new ATOM 997 N THR A 71 10.032 1.571 -8.989 1.00 0.00 N ATOM 998 CA THR A 71 11.270 2.310 -9.191 1.00 0.00 C ATOM 999 C THR A 71 11.853 1.941 -10.570 1.00 0.00 C ATOM 1000 O THR A 71 12.884 2.446 -11.009 1.00 0.00 O ATOM 1001 CB THR A 71 12.268 2.092 -8.014 1.00 0.00 C ATOM 1002 OG1 THR A 71 13.317 3.075 -8.027 1.00 0.00 O ATOM 1003 CG2 THR A 71 12.884 0.704 -8.050 1.00 0.00 C ATOM 0 H THR A 71 10.133 0.712 -8.449 1.00 0.00 H new ATOM 0 HA THR A 71 11.067 3.381 -9.191 1.00 0.00 H new ATOM 0 HB THR A 71 11.691 2.197 -7.095 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.585 3.255 -8.952 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.574 0.590 -7.214 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.096 -0.046 -7.975 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.424 0.570 -8.987 1.00 0.00 H new ATOM 1011 N ASN A 72 11.123 1.066 -11.257 1.00 0.00 N ATOM 1012 CA ASN A 72 11.460 0.622 -12.605 1.00 0.00 C ATOM 1013 C ASN A 72 10.677 1.450 -13.611 1.00 0.00 C ATOM 1014 O ASN A 72 10.766 1.238 -14.824 1.00 0.00 O ATOM 1015 CB ASN A 72 11.092 -0.852 -12.811 1.00 0.00 C ATOM 1016 CG ASN A 72 11.848 -1.824 -11.930 1.00 0.00 C ATOM 1017 OD1 ASN A 72 12.989 -1.595 -11.542 1.00 0.00 O ATOM 1018 ND2 ASN A 72 11.215 -2.931 -11.616 1.00 0.00 N ATOM 0 H ASN A 72 10.272 0.641 -10.889 1.00 0.00 H new ATOM 0 HA ASN A 72 12.534 0.744 -12.744 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.024 -0.974 -12.630 1.00 0.00 H new ATOM 0 HB3 ASN A 72 11.270 -1.114 -13.854 1.00 0.00 H new ATOM 0 HD21 ASN A 72 11.672 -3.632 -11.033 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.266 -3.090 -11.956 1.00 0.00 H new ATOM 1025 N GLY A 73 9.833 2.328 -13.086 1.00 0.00 N ATOM 1026 CA GLY A 73 9.053 3.225 -13.909 1.00 0.00 C ATOM 1027 C GLY A 73 7.792 2.546 -14.347 1.00 0.00 C ATOM 1028 O GLY A 73 7.209 2.852 -15.385 1.00 0.00 O ATOM 0 H GLY A 73 9.675 2.434 -12.084 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.814 4.130 -13.351 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.633 3.531 -14.780 1.00 0.00 H new ATOM 1032 N LYS A 74 7.404 1.589 -13.553 1.00 0.00 N ATOM 1033 CA LYS A 74 6.252 0.782 -13.810 1.00 0.00 C ATOM 1034 C LYS A 74 5.128 1.176 -12.870 1.00 0.00 C ATOM 1035 O LYS A 74 5.342 1.902 -11.890 1.00 0.00 O ATOM 1036 CB LYS A 74 6.653 -0.672 -13.577 1.00 0.00 C ATOM 1037 CG LYS A 74 7.859 -1.111 -14.397 1.00 0.00 C ATOM 1038 CD LYS A 74 7.512 -1.374 -15.852 1.00 0.00 C ATOM 1039 CE LYS A 74 8.723 -1.843 -16.653 1.00 0.00 C ATOM 1040 NZ LYS A 74 9.806 -0.828 -16.730 1.00 0.00 N ATOM 0 H LYS A 74 7.892 1.345 -12.691 1.00 0.00 H new ATOM 0 HA LYS A 74 5.900 0.920 -14.832 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.872 -0.815 -12.519 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.807 -1.316 -13.817 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.629 -0.341 -14.344 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.282 -2.015 -13.959 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.727 -2.128 -15.907 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.112 -0.464 -16.299 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.119 -2.753 -16.201 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.404 -2.101 -17.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.591 -1.201 -17.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.438 0.039 -17.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.147 -0.611 -15.772 1.00 0.00 H new ATOM 1054 N GLN A 75 3.956 0.715 -13.201 1.00 0.00 N ATOM 1055 CA GLN A 75 2.769 0.878 -12.390 1.00 0.00 C ATOM 1056 C GLN A 75 2.373 -0.567 -12.063 1.00 0.00 C ATOM 1057 O GLN A 75 2.589 -1.451 -12.896 1.00 0.00 O ATOM 1058 CB GLN A 75 1.682 1.598 -13.210 1.00 0.00 C ATOM 1059 CG GLN A 75 0.643 2.392 -12.405 1.00 0.00 C ATOM 1060 CD GLN A 75 -0.115 1.578 -11.379 1.00 0.00 C ATOM 1061 OE1 GLN A 75 0.293 1.478 -10.218 1.00 0.00 O ATOM 1062 NE2 GLN A 75 -1.203 0.978 -11.788 1.00 0.00 N ATOM 0 H GLN A 75 3.788 0.200 -14.065 1.00 0.00 H new ATOM 0 HA GLN A 75 2.916 1.478 -11.492 1.00 0.00 H new ATOM 0 HB2 GLN A 75 2.172 2.280 -13.905 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.156 0.855 -13.810 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.147 3.214 -11.897 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.072 2.836 -13.098 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.511 1.083 -12.755 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.744 0.405 -11.140 1.00 0.00 H new ATOM 1071 N ALA A 76 1.831 -0.827 -10.898 1.00 0.00 N ATOM 1072 CA ALA A 76 1.564 -2.194 -10.482 1.00 0.00 C ATOM 1073 C ALA A 76 0.063 -2.514 -10.489 1.00 0.00 C ATOM 1074 O ALA A 76 -0.767 -1.603 -10.416 1.00 0.00 O ATOM 1075 CB ALA A 76 2.173 -2.425 -9.108 1.00 0.00 C ATOM 0 H ALA A 76 1.564 -0.115 -10.218 1.00 0.00 H new ATOM 0 HA ALA A 76 2.025 -2.873 -11.199 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.976 -3.449 -8.790 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.249 -2.260 -9.155 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.731 -1.732 -8.393 1.00 0.00 H new ATOM 1081 N PRO A 77 -0.301 -3.816 -10.600 1.00 0.00 N ATOM 1082 CA PRO A 77 -1.702 -4.270 -10.590 1.00 0.00 C ATOM 1083 C PRO A 77 -2.420 -3.915 -9.289 1.00 0.00 C ATOM 1084 O PRO A 77 -1.775 -3.620 -8.273 1.00 0.00 O ATOM 1085 CB PRO A 77 -1.594 -5.787 -10.709 1.00 0.00 C ATOM 1086 CG PRO A 77 -0.245 -6.056 -11.257 1.00 0.00 C ATOM 1087 CD PRO A 77 0.628 -4.957 -10.750 1.00 0.00 C ATOM 0 HA PRO A 77 -2.276 -3.798 -11.387 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -1.724 -6.265 -9.738 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.369 -6.183 -11.366 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.122 -7.029 -10.931 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.262 -6.071 -12.347 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.095 -5.221 -9.801 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.433 -4.729 -11.449 1.00 0.00 H new ATOM 1095 N ASP A 78 -3.746 -4.003 -9.313 1.00 0.00 N ATOM 1096 CA ASP A 78 -4.605 -3.642 -8.181 1.00 0.00 C ATOM 1097 C ASP A 78 -4.288 -4.469 -6.959 1.00 0.00 C ATOM 1098 O ASP A 78 -4.413 -3.988 -5.828 1.00 0.00 O ATOM 1099 CB ASP A 78 -6.093 -3.838 -8.491 1.00 0.00 C ATOM 1100 CG ASP A 78 -6.621 -2.946 -9.575 1.00 0.00 C ATOM 1101 OD1 ASP A 78 -6.925 -1.765 -9.303 1.00 0.00 O ATOM 1102 OD2 ASP A 78 -6.783 -3.402 -10.723 1.00 0.00 O ATOM 0 H ASP A 78 -4.265 -4.331 -10.128 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.405 -2.587 -7.993 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.258 -4.876 -8.778 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.668 -3.664 -7.581 1.00 0.00 H new ATOM 1107 N TRP A 79 -3.853 -5.697 -7.191 1.00 0.00 N ATOM 1108 CA TRP A 79 -3.555 -6.603 -6.111 1.00 0.00 C ATOM 1109 C TRP A 79 -2.289 -6.240 -5.358 1.00 0.00 C ATOM 1110 O TRP A 79 -2.053 -6.752 -4.273 1.00 0.00 O ATOM 1111 CB TRP A 79 -3.549 -8.066 -6.564 1.00 0.00 C ATOM 1112 CG TRP A 79 -2.525 -8.438 -7.572 1.00 0.00 C ATOM 1113 CD1 TRP A 79 -2.694 -8.426 -8.907 1.00 0.00 C ATOM 1114 CD2 TRP A 79 -1.189 -8.905 -7.332 1.00 0.00 C ATOM 1115 NE1 TRP A 79 -1.560 -8.856 -9.535 1.00 0.00 N ATOM 1116 CE2 TRP A 79 -0.618 -9.156 -8.592 1.00 0.00 C ATOM 1117 CE3 TRP A 79 -0.417 -9.134 -6.179 1.00 0.00 C ATOM 1118 CZ2 TRP A 79 0.678 -9.626 -8.741 1.00 0.00 C ATOM 1119 CZ3 TRP A 79 0.870 -9.599 -6.338 1.00 0.00 C ATOM 1120 CH2 TRP A 79 1.403 -9.840 -7.606 1.00 0.00 C ATOM 0 H TRP A 79 -3.700 -6.083 -8.123 1.00 0.00 H new ATOM 0 HA TRP A 79 -4.373 -6.490 -5.400 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -3.409 -8.696 -5.685 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -4.532 -8.302 -6.972 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -3.599 -8.120 -9.411 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -1.436 -8.940 -10.544 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -0.822 -8.950 -5.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 1.097 -9.815 -9.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 1.479 -9.781 -5.465 1.00 0.00 H new ATOM 0 HH2 TRP A 79 2.416 -10.205 -7.690 1.00 0.00 H new ATOM 1131 N LEU A 80 -1.472 -5.373 -5.906 1.00 0.00 N ATOM 1132 CA LEU A 80 -0.296 -4.993 -5.187 1.00 0.00 C ATOM 1133 C LEU A 80 -0.618 -3.747 -4.381 1.00 0.00 C ATOM 1134 O LEU A 80 -0.682 -2.637 -4.916 1.00 0.00 O ATOM 1135 CB LEU A 80 0.888 -4.770 -6.116 1.00 0.00 C ATOM 1136 CG LEU A 80 2.214 -4.597 -5.393 1.00 0.00 C ATOM 1137 CD1 LEU A 80 2.535 -5.862 -4.627 1.00 0.00 C ATOM 1138 CD2 LEU A 80 3.339 -4.279 -6.348 1.00 0.00 C ATOM 0 H LEU A 80 -1.598 -4.933 -6.818 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.001 -5.800 -4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.966 -5.616 -6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.699 -3.885 -6.724 1.00 0.00 H new ATOM 0 HG LEU A 80 2.117 -3.755 -4.707 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.485 -5.741 -4.107 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.746 -6.057 -3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.605 -6.700 -5.321 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.268 -4.163 -5.790 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.446 -5.091 -7.067 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.116 -3.353 -6.877 1.00 0.00 H new ATOM 1150 N ALA A 81 -0.873 -3.949 -3.116 1.00 0.00 N ATOM 1151 CA ALA A 81 -1.273 -2.877 -2.230 1.00 0.00 C ATOM 1152 C ALA A 81 -0.142 -2.447 -1.335 1.00 0.00 C ATOM 1153 O ALA A 81 0.816 -3.189 -1.115 1.00 0.00 O ATOM 1154 CB ALA A 81 -2.423 -3.321 -1.357 1.00 0.00 C ATOM 0 H ALA A 81 -0.810 -4.862 -2.665 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.572 -2.038 -2.858 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.714 -2.505 -0.695 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.270 -3.599 -1.984 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.116 -4.180 -0.760 1.00 0.00 H new ATOM 1160 N ALA A 82 -0.289 -1.257 -0.808 1.00 0.00 N ATOM 1161 CA ALA A 82 0.644 -0.670 0.128 1.00 0.00 C ATOM 1162 C ALA A 82 -0.092 0.346 0.998 1.00 0.00 C ATOM 1163 O ALA A 82 -0.849 1.176 0.485 1.00 0.00 O ATOM 1164 CB ALA A 82 1.818 -0.024 -0.594 1.00 0.00 C ATOM 0 H ALA A 82 -1.081 -0.652 -1.022 1.00 0.00 H new ATOM 0 HA ALA A 82 1.053 -1.456 0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.501 0.408 0.137 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.343 -0.777 -1.181 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.451 0.760 -1.256 1.00 0.00 H new ATOM 1170 N GLU A 83 0.095 0.257 2.300 1.00 0.00 N ATOM 1171 CA GLU A 83 -0.524 1.150 3.262 1.00 0.00 C ATOM 1172 C GLU A 83 0.460 1.396 4.409 1.00 0.00 C ATOM 1173 O GLU A 83 1.272 0.533 4.669 1.00 0.00 O ATOM 1174 CB GLU A 83 -1.807 0.519 3.822 1.00 0.00 C ATOM 1175 CG GLU A 83 -1.639 -0.813 4.517 1.00 0.00 C ATOM 1176 CD GLU A 83 -2.857 -1.159 5.337 1.00 0.00 C ATOM 1177 OE1 GLU A 83 -2.799 -1.073 6.590 1.00 0.00 O ATOM 1178 OE2 GLU A 83 -3.908 -1.485 4.767 1.00 0.00 O ATOM 0 H GLU A 83 0.692 -0.451 2.728 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.778 2.090 2.772 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.256 1.220 4.526 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.514 0.393 3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.463 -1.593 3.776 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.761 -0.781 5.162 1.00 0.00 H new ATOM 1185 N PRO A 84 0.481 2.586 5.026 1.00 0.00 N ATOM 1186 CA PRO A 84 1.304 2.865 6.218 1.00 0.00 C ATOM 1187 C PRO A 84 0.973 2.010 7.439 1.00 0.00 C ATOM 1188 O PRO A 84 -0.201 1.794 7.787 1.00 0.00 O ATOM 1189 CB PRO A 84 1.002 4.341 6.513 1.00 0.00 C ATOM 1190 CG PRO A 84 -0.258 4.636 5.795 1.00 0.00 C ATOM 1191 CD PRO A 84 -0.185 3.812 4.561 1.00 0.00 C ATOM 0 HA PRO A 84 2.351 2.636 6.020 1.00 0.00 H new ATOM 0 HB2 PRO A 84 0.893 4.513 7.584 1.00 0.00 H new ATOM 0 HB3 PRO A 84 1.811 4.984 6.167 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -1.128 4.374 6.397 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -0.341 5.697 5.559 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -1.175 3.605 4.154 1.00 0.00 H new ATOM 0 HD3 PRO A 84 0.385 4.309 3.776 1.00 0.00 H new ATOM 1199 N TYR A 85 2.024 1.480 8.034 1.00 0.00 N ATOM 1200 CA TYR A 85 1.967 0.810 9.314 1.00 0.00 C ATOM 1201 C TYR A 85 2.426 1.819 10.325 1.00 0.00 C ATOM 1202 O TYR A 85 1.572 2.535 10.890 1.00 0.00 O ATOM 1203 CB TYR A 85 2.834 -0.470 9.359 1.00 0.00 C ATOM 1204 CG TYR A 85 3.290 -0.951 10.725 1.00 0.00 C ATOM 1205 CD1 TYR A 85 4.630 -0.873 11.081 1.00 0.00 C ATOM 1206 CD2 TYR A 85 2.395 -1.461 11.654 1.00 0.00 C ATOM 1207 CE1 TYR A 85 5.062 -1.283 12.319 1.00 0.00 C ATOM 1208 CE2 TYR A 85 2.827 -1.877 12.896 1.00 0.00 C ATOM 1209 CZ TYR A 85 4.160 -1.784 13.222 1.00 0.00 C ATOM 1210 OH TYR A 85 4.596 -2.179 14.461 1.00 0.00 O ATOM 1211 OXT TYR A 85 3.637 1.972 10.487 1.00 0.00 O ATOM 0 H TYR A 85 2.960 1.505 7.630 1.00 0.00 H new ATOM 0 HA TYR A 85 0.953 0.465 9.518 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.272 -1.276 8.887 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.720 -0.300 8.748 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.345 -0.483 10.372 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.347 -1.533 11.402 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.108 -1.211 12.580 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.121 -2.274 13.610 1.00 0.00 H new ATOM 0 HH TYR A 85 3.837 -2.510 14.985 1.00 0.00 H new TER 1221 TYR A 85