USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 658 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 4 LYS NZ :NH3+ -169:sc= 1.2 (180deg=0.813) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.626 K(o=-0.63,f=-1.3) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -140:sc= 0 (180deg=-1.56!) USER MOD Single : A 21 HIS : no HD1:sc=-0.00354 X(o=-0.0035,f=-0.34) USER MOD Single : A 27 HIS : no HD1:sc= -1.04! C(o=-1!,f=-5.4!) USER MOD Single : A 28 LYS NZ :NH3+ -170:sc= 0.854 (180deg=0.779) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.0715 F(o=-0.7,f=-0.071) USER MOD Single : A 38 ASN : amide:sc= -1.56 K(o=-1.6,f=-2.7!) USER MOD Single : A 42 SER OG : rot 86:sc= 1.29 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= -0.0284 (180deg=-0.217) USER MOD Single : A 57 GLN : amide:sc=-0.00339 X(o=-0.0034,f=-0.0034) USER MOD Single : A 59 TYR OH : rot 92:sc= 0.147 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0.35) USER MOD Single : A 72 SER OG : rot 77:sc= 1.07 USER MOD Single : A 74 GLN : amide:sc= -0.746 X(o=-0.75,f=-0.76) USER MOD Single : A 75 THR OG1 : rot 176:sc= -0.573 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N ILE A 3 -9.071 5.800 -3.485 1.00 0.00 N ATOM 11 CA ILE A 3 -7.693 6.047 -3.214 1.00 0.00 C ATOM 12 C ILE A 3 -7.127 7.069 -4.200 1.00 0.00 C ATOM 13 O ILE A 3 -6.260 7.861 -3.849 1.00 0.00 O ATOM 14 CB ILE A 3 -6.895 4.723 -3.250 1.00 0.00 C ATOM 15 CG1 ILE A 3 -5.425 4.959 -2.915 1.00 0.00 C ATOM 16 CG2 ILE A 3 -7.073 4.005 -4.581 1.00 0.00 C ATOM 17 CD1 ILE A 3 -4.579 3.722 -2.992 1.00 0.00 C ATOM 0 HA ILE A 3 -7.600 6.468 -2.213 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.298 4.065 -2.480 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.022 5.706 -3.598 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.353 5.375 -1.910 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.499 3.078 -4.574 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.128 3.778 -4.734 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.719 4.645 -5.390 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.548 3.970 -2.741 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.955 2.979 -2.288 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.619 3.316 -4.003 1.00 0.00 H new ATOM 29 N LYS A 4 -7.707 7.124 -5.402 1.00 0.00 N ATOM 30 CA LYS A 4 -7.235 8.017 -6.484 1.00 0.00 C ATOM 31 C LYS A 4 -7.653 9.475 -6.272 1.00 0.00 C ATOM 32 O LYS A 4 -7.878 10.220 -7.223 1.00 0.00 O ATOM 33 CB LYS A 4 -7.738 7.523 -7.828 1.00 0.00 C ATOM 34 CG LYS A 4 -7.340 6.103 -8.130 1.00 0.00 C ATOM 35 CD LYS A 4 -7.725 5.720 -9.530 1.00 0.00 C ATOM 36 CE LYS A 4 -7.418 4.269 -9.814 1.00 0.00 C ATOM 37 NZ LYS A 4 -6.053 3.866 -9.407 1.00 0.00 N ATOM 0 H LYS A 4 -8.514 6.556 -5.660 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.146 7.990 -6.465 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.825 7.601 -7.852 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.355 8.175 -8.613 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.264 5.988 -8.001 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.819 5.429 -7.420 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.789 5.903 -9.678 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.191 6.351 -10.240 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.144 3.643 -9.294 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.541 4.081 -10.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.840 2.924 -9.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.364 4.554 -9.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.995 3.836 -8.369 1.00 0.00 H new ATOM 51 N GLN A 5 -7.755 9.854 -5.039 1.00 0.00 N ATOM 52 CA GLN A 5 -8.091 11.196 -4.647 1.00 0.00 C ATOM 53 C GLN A 5 -7.143 11.666 -3.558 1.00 0.00 C ATOM 54 O GLN A 5 -7.197 12.813 -3.120 1.00 0.00 O ATOM 55 CB GLN A 5 -9.543 11.262 -4.179 1.00 0.00 C ATOM 56 CG GLN A 5 -9.888 10.238 -3.116 1.00 0.00 C ATOM 57 CD GLN A 5 -11.343 10.260 -2.756 1.00 0.00 C ATOM 58 OE1 GLN A 5 -11.762 10.963 -1.856 1.00 0.00 O ATOM 59 NE2 GLN A 5 -12.128 9.521 -3.483 1.00 0.00 N ATOM 0 H GLN A 5 -7.604 9.225 -4.250 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.985 11.859 -5.505 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.745 12.260 -3.789 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -10.199 11.117 -5.037 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.619 9.243 -3.472 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.292 10.429 -2.223 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.739 8.945 -4.229 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -13.133 9.518 -3.307 1.00 0.00 H new ATOM 68 N TYR A 6 -6.267 10.781 -3.130 1.00 0.00 N ATOM 69 CA TYR A 6 -5.308 11.120 -2.094 1.00 0.00 C ATOM 70 C TYR A 6 -3.999 11.539 -2.727 1.00 0.00 C ATOM 71 O TYR A 6 -3.608 10.986 -3.747 1.00 0.00 O ATOM 72 CB TYR A 6 -5.047 9.935 -1.167 1.00 0.00 C ATOM 73 CG TYR A 6 -6.259 9.380 -0.450 1.00 0.00 C ATOM 74 CD1 TYR A 6 -7.313 10.197 -0.056 1.00 0.00 C ATOM 75 CD2 TYR A 6 -6.331 8.035 -0.152 1.00 0.00 C ATOM 76 CE1 TYR A 6 -8.405 9.675 0.608 1.00 0.00 C ATOM 77 CE2 TYR A 6 -7.410 7.507 0.509 1.00 0.00 C ATOM 78 CZ TYR A 6 -8.450 8.327 0.887 1.00 0.00 C ATOM 79 OH TYR A 6 -9.537 7.795 1.547 1.00 0.00 O ATOM 0 H TYR A 6 -6.197 9.825 -3.480 1.00 0.00 H new ATOM 0 HA TYR A 6 -5.727 11.938 -1.508 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -4.595 9.133 -1.751 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -4.313 10.237 -0.420 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -7.277 11.254 -0.272 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.521 7.384 -0.445 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -9.219 10.319 0.907 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.444 6.451 0.733 1.00 0.00 H new ATOM 0 HH TYR A 6 -9.409 6.830 1.663 1.00 0.00 H new ATOM 89 N SER A 7 -3.343 12.509 -2.137 1.00 0.00 N ATOM 90 CA SER A 7 -2.066 12.967 -2.635 1.00 0.00 C ATOM 91 C SER A 7 -0.919 12.136 -2.052 1.00 0.00 C ATOM 92 O SER A 7 -1.135 11.256 -1.195 1.00 0.00 O ATOM 93 CB SER A 7 -1.902 14.442 -2.315 1.00 0.00 C ATOM 94 OG SER A 7 -3.025 15.177 -2.798 1.00 0.00 O ATOM 0 H SER A 7 -3.674 13.000 -1.306 1.00 0.00 H new ATOM 0 HA SER A 7 -2.035 12.837 -3.717 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.804 14.580 -1.238 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.987 14.821 -2.770 1.00 0.00 H new ATOM 0 HG SER A 7 -2.910 16.127 -2.585 1.00 0.00 H new ATOM 100 N GLN A 8 0.273 12.426 -2.504 1.00 0.00 N ATOM 101 CA GLN A 8 1.466 11.698 -2.157 1.00 0.00 C ATOM 102 C GLN A 8 1.725 11.600 -0.636 1.00 0.00 C ATOM 103 O GLN A 8 1.884 10.490 -0.108 1.00 0.00 O ATOM 104 CB GLN A 8 2.650 12.343 -2.838 1.00 0.00 C ATOM 105 CG GLN A 8 3.902 11.573 -2.644 1.00 0.00 C ATOM 106 CD GLN A 8 5.107 12.222 -3.262 1.00 0.00 C ATOM 107 OE1 GLN A 8 5.028 12.938 -4.269 1.00 0.00 O ATOM 108 NE2 GLN A 8 6.225 11.996 -2.672 1.00 0.00 N ATOM 0 H GLN A 8 0.446 13.201 -3.145 1.00 0.00 H new ATOM 0 HA GLN A 8 1.321 10.674 -2.501 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.446 12.436 -3.905 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.784 13.353 -2.449 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.077 11.443 -1.576 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.777 10.578 -3.070 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.254 11.401 -1.844 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.084 12.412 -3.031 1.00 0.00 H new ATOM 117 N GLU A 9 1.725 12.737 0.067 1.00 0.00 N ATOM 118 CA GLU A 9 2.004 12.742 1.513 1.00 0.00 C ATOM 119 C GLU A 9 0.904 12.017 2.279 1.00 0.00 C ATOM 120 O GLU A 9 1.140 11.411 3.310 1.00 0.00 O ATOM 121 CB GLU A 9 2.186 14.170 2.054 1.00 0.00 C ATOM 122 CG GLU A 9 0.970 15.070 1.889 1.00 0.00 C ATOM 123 CD GLU A 9 1.166 16.421 2.511 1.00 0.00 C ATOM 124 OE1 GLU A 9 1.724 17.325 1.841 1.00 0.00 O ATOM 125 OE2 GLU A 9 0.763 16.606 3.678 1.00 0.00 O ATOM 0 H GLU A 9 1.538 13.657 -0.332 1.00 0.00 H new ATOM 0 HA GLU A 9 2.943 12.210 1.664 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.439 14.114 3.113 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.034 14.631 1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.753 15.190 0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.102 14.589 2.340 1.00 0.00 H new ATOM 132 N GLU A 10 -0.279 12.052 1.715 1.00 0.00 N ATOM 133 CA GLU A 10 -1.452 11.433 2.282 1.00 0.00 C ATOM 134 C GLU A 10 -1.264 9.927 2.306 1.00 0.00 C ATOM 135 O GLU A 10 -1.406 9.279 3.335 1.00 0.00 O ATOM 136 CB GLU A 10 -2.641 11.784 1.403 1.00 0.00 C ATOM 137 CG GLU A 10 -3.974 11.238 1.884 1.00 0.00 C ATOM 138 CD GLU A 10 -4.287 11.645 3.299 1.00 0.00 C ATOM 139 OE1 GLU A 10 -4.328 12.859 3.595 1.00 0.00 O ATOM 140 OE2 GLU A 10 -4.521 10.768 4.133 1.00 0.00 O ATOM 0 H GLU A 10 -0.457 12.523 0.828 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.617 11.787 3.300 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.714 12.869 1.331 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.453 11.410 0.397 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.767 11.591 1.224 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.963 10.150 1.816 1.00 0.00 H new ATOM 147 N LEU A 11 -0.902 9.404 1.165 1.00 0.00 N ATOM 148 CA LEU A 11 -0.676 7.990 0.970 1.00 0.00 C ATOM 149 C LEU A 11 0.527 7.516 1.766 1.00 0.00 C ATOM 150 O LEU A 11 0.604 6.365 2.171 1.00 0.00 O ATOM 151 CB LEU A 11 -0.530 7.731 -0.510 1.00 0.00 C ATOM 152 CG LEU A 11 -1.794 8.034 -1.311 1.00 0.00 C ATOM 153 CD1 LEU A 11 -1.486 8.161 -2.773 1.00 0.00 C ATOM 154 CD2 LEU A 11 -2.828 6.942 -1.088 1.00 0.00 C ATOM 0 H LEU A 11 -0.752 9.960 0.323 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.525 7.417 1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.289 8.337 -0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.255 6.687 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.198 8.985 -0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.403 8.377 -3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.773 8.971 -2.926 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.057 7.227 -3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.726 7.168 -1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.421 5.984 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.080 6.890 -0.029 1.00 0.00 H new ATOM 166 N LYS A 12 1.439 8.425 2.008 1.00 0.00 N ATOM 167 CA LYS A 12 2.600 8.163 2.830 1.00 0.00 C ATOM 168 C LYS A 12 2.239 7.990 4.307 1.00 0.00 C ATOM 169 O LYS A 12 2.970 7.340 5.047 1.00 0.00 O ATOM 170 CB LYS A 12 3.655 9.241 2.629 1.00 0.00 C ATOM 171 CG LYS A 12 4.635 8.938 1.514 1.00 0.00 C ATOM 172 CD LYS A 12 5.606 7.848 1.949 1.00 0.00 C ATOM 173 CE LYS A 12 6.572 7.477 0.843 1.00 0.00 C ATOM 174 NZ LYS A 12 7.675 6.620 1.334 1.00 0.00 N ATOM 0 H LYS A 12 1.399 9.375 1.639 1.00 0.00 H new ATOM 0 HA LYS A 12 3.023 7.212 2.506 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.158 10.187 2.416 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.207 9.374 3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.095 8.620 0.622 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.185 9.841 1.248 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.165 8.187 2.821 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.046 6.964 2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.034 6.957 0.051 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.986 8.385 0.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.313 6.389 0.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.205 7.126 2.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.283 5.742 1.730 1.00 0.00 H new ATOM 188 N GLU A 13 1.103 8.534 4.721 1.00 0.00 N ATOM 189 CA GLU A 13 0.629 8.375 6.100 1.00 0.00 C ATOM 190 C GLU A 13 -0.303 7.164 6.199 1.00 0.00 C ATOM 191 O GLU A 13 -0.920 6.897 7.245 1.00 0.00 O ATOM 192 CB GLU A 13 -0.114 9.623 6.581 1.00 0.00 C ATOM 193 CG GLU A 13 0.711 10.896 6.613 1.00 0.00 C ATOM 194 CD GLU A 13 1.960 10.773 7.450 1.00 0.00 C ATOM 195 OE1 GLU A 13 1.867 10.503 8.669 1.00 0.00 O ATOM 196 OE2 GLU A 13 3.061 10.958 6.905 1.00 0.00 O ATOM 0 H GLU A 13 0.489 9.090 4.126 1.00 0.00 H new ATOM 0 HA GLU A 13 1.502 8.224 6.735 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.976 9.784 5.934 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.498 9.433 7.583 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.989 11.167 5.594 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.098 11.709 7.003 1.00 0.00 H new ATOM 203 N MET A 14 -0.422 6.451 5.116 1.00 0.00 N ATOM 204 CA MET A 14 -1.253 5.277 5.063 1.00 0.00 C ATOM 205 C MET A 14 -0.373 4.053 5.195 1.00 0.00 C ATOM 206 O MET A 14 0.776 4.056 4.731 1.00 0.00 O ATOM 207 CB MET A 14 -2.014 5.205 3.732 1.00 0.00 C ATOM 208 CG MET A 14 -2.993 6.337 3.461 1.00 0.00 C ATOM 209 SD MET A 14 -4.370 6.372 4.617 1.00 0.00 S ATOM 210 CE MET A 14 -5.335 7.724 3.946 1.00 0.00 C ATOM 0 H MET A 14 0.055 6.666 4.241 1.00 0.00 H new ATOM 0 HA MET A 14 -1.978 5.321 5.876 1.00 0.00 H new ATOM 0 HB2 MET A 14 -1.286 5.179 2.921 1.00 0.00 H new ATOM 0 HB3 MET A 14 -2.561 4.263 3.700 1.00 0.00 H new ATOM 0 HG2 MET A 14 -2.462 7.288 3.509 1.00 0.00 H new ATOM 0 HG3 MET A 14 -3.380 6.239 2.447 1.00 0.00 H new ATOM 0 HE1 MET A 14 -5.733 8.327 4.762 1.00 0.00 H new ATOM 0 HE2 MET A 14 -4.701 8.344 3.312 1.00 0.00 H new ATOM 0 HE3 MET A 14 -6.159 7.325 3.355 1.00 0.00 H new ATOM 220 N ALA A 15 -0.886 3.025 5.836 1.00 0.00 N ATOM 221 CA ALA A 15 -0.168 1.767 5.954 1.00 0.00 C ATOM 222 C ALA A 15 -0.230 1.067 4.600 1.00 0.00 C ATOM 223 O ALA A 15 -1.206 1.239 3.884 1.00 0.00 O ATOM 224 CB ALA A 15 -0.800 0.907 7.046 1.00 0.00 C ATOM 0 H ALA A 15 -1.801 3.033 6.286 1.00 0.00 H new ATOM 0 HA ALA A 15 0.872 1.939 6.232 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.256 -0.034 7.128 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.755 1.436 7.998 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.840 0.704 6.793 1.00 0.00 H new ATOM 230 N LEU A 16 0.775 0.282 4.267 1.00 0.00 N ATOM 231 CA LEU A 16 0.891 -0.358 2.938 1.00 0.00 C ATOM 232 C LEU A 16 -0.339 -1.176 2.593 1.00 0.00 C ATOM 233 O LEU A 16 -0.985 -0.970 1.549 1.00 0.00 O ATOM 234 CB LEU A 16 2.142 -1.248 2.870 1.00 0.00 C ATOM 235 CG LEU A 16 3.456 -0.569 3.218 1.00 0.00 C ATOM 236 CD1 LEU A 16 4.637 -1.491 2.966 1.00 0.00 C ATOM 237 CD2 LEU A 16 3.581 0.699 2.436 1.00 0.00 C ATOM 0 H LEU A 16 1.544 0.059 4.899 1.00 0.00 H new ATOM 0 HA LEU A 16 0.979 0.444 2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.001 -2.092 3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.221 -1.655 1.862 1.00 0.00 H new ATOM 0 HG LEU A 16 3.460 -0.331 4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.562 -0.976 3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.537 -2.387 3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.661 -1.773 1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.523 1.188 2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.559 0.473 1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.752 1.362 2.683 1.00 0.00 H new ATOM 249 N VAL A 17 -0.672 -2.067 3.475 1.00 0.00 N ATOM 250 CA VAL A 17 -1.816 -2.928 3.334 1.00 0.00 C ATOM 251 C VAL A 17 -3.134 -2.120 3.347 1.00 0.00 C ATOM 252 O VAL A 17 -4.127 -2.507 2.737 1.00 0.00 O ATOM 253 CB VAL A 17 -1.795 -3.975 4.465 1.00 0.00 C ATOM 254 CG1 VAL A 17 -2.032 -3.339 5.838 1.00 0.00 C ATOM 255 CG2 VAL A 17 -2.732 -5.129 4.197 1.00 0.00 C ATOM 0 H VAL A 17 -0.146 -2.223 4.335 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.766 -3.435 2.370 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.790 -4.396 4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.009 -4.112 6.606 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.251 -2.605 6.039 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.004 -2.846 5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.680 -5.839 5.023 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.752 -4.755 4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.441 -5.627 3.272 1.00 0.00 H new ATOM 265 N GLU A 18 -3.097 -0.970 3.981 1.00 0.00 N ATOM 266 CA GLU A 18 -4.243 -0.103 4.104 1.00 0.00 C ATOM 267 C GLU A 18 -4.453 0.662 2.794 1.00 0.00 C ATOM 268 O GLU A 18 -5.590 0.896 2.371 1.00 0.00 O ATOM 269 CB GLU A 18 -4.023 0.827 5.287 1.00 0.00 C ATOM 270 CG GLU A 18 -5.133 1.793 5.582 1.00 0.00 C ATOM 271 CD GLU A 18 -4.849 2.560 6.837 1.00 0.00 C ATOM 272 OE1 GLU A 18 -4.083 3.546 6.793 1.00 0.00 O ATOM 273 OE2 GLU A 18 -5.363 2.178 7.908 1.00 0.00 O ATOM 0 H GLU A 18 -2.257 -0.607 4.432 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.150 -0.679 4.288 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.853 0.218 6.175 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.110 1.396 5.111 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.252 2.484 4.747 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.074 1.253 5.685 1.00 0.00 H new ATOM 280 N ILE A 19 -3.350 1.009 2.145 1.00 0.00 N ATOM 281 CA ILE A 19 -3.376 1.641 0.832 1.00 0.00 C ATOM 282 C ILE A 19 -4.032 0.675 -0.145 1.00 0.00 C ATOM 283 O ILE A 19 -4.971 1.028 -0.867 1.00 0.00 O ATOM 284 CB ILE A 19 -1.937 1.965 0.326 1.00 0.00 C ATOM 285 CG1 ILE A 19 -1.217 2.892 1.304 1.00 0.00 C ATOM 286 CG2 ILE A 19 -1.992 2.607 -1.054 1.00 0.00 C ATOM 287 CD1 ILE A 19 0.241 3.143 0.976 1.00 0.00 C ATOM 0 H ILE A 19 -2.411 0.860 2.514 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.930 2.577 0.903 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.381 1.030 0.259 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.740 3.848 1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.283 2.465 2.305 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.980 2.827 -1.393 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.469 1.922 -1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.567 3.532 -1.002 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.672 3.811 1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.783 2.197 0.980 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.318 3.602 -0.010 1.00 0.00 H new ATOM 299 N ALA A 20 -3.558 -0.564 -0.112 1.00 0.00 N ATOM 300 CA ALA A 20 -4.089 -1.619 -0.953 1.00 0.00 C ATOM 301 C ALA A 20 -5.558 -1.881 -0.620 1.00 0.00 C ATOM 302 O ALA A 20 -6.370 -2.105 -1.505 1.00 0.00 O ATOM 303 CB ALA A 20 -3.259 -2.884 -0.802 1.00 0.00 C ATOM 0 H ALA A 20 -2.797 -0.861 0.498 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.032 -1.299 -1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.670 -3.667 -1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.229 -2.681 -1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.282 -3.213 0.237 1.00 0.00 H new ATOM 309 N HIS A 21 -5.887 -1.823 0.662 1.00 0.00 N ATOM 310 CA HIS A 21 -7.262 -1.992 1.139 1.00 0.00 C ATOM 311 C HIS A 21 -8.195 -0.976 0.464 1.00 0.00 C ATOM 312 O HIS A 21 -9.246 -1.339 -0.060 1.00 0.00 O ATOM 313 CB HIS A 21 -7.312 -1.812 2.671 1.00 0.00 C ATOM 314 CG HIS A 21 -8.663 -2.020 3.286 1.00 0.00 C ATOM 315 ND1 HIS A 21 -9.630 -1.045 3.337 1.00 0.00 N ATOM 316 CD2 HIS A 21 -9.204 -3.102 3.872 1.00 0.00 C ATOM 317 CE1 HIS A 21 -10.695 -1.519 3.916 1.00 0.00 C ATOM 318 NE2 HIS A 21 -10.464 -2.762 4.250 1.00 0.00 N ATOM 0 H HIS A 21 -5.210 -1.657 1.407 1.00 0.00 H new ATOM 0 HA HIS A 21 -7.598 -2.997 0.883 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -6.610 -2.509 3.127 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -6.968 -0.807 2.916 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -8.727 -4.060 4.015 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -11.613 -0.978 4.091 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -11.126 -3.379 4.720 1.00 0.00 H new ATOM 327 N GLU A 22 -7.782 0.279 0.468 1.00 0.00 N ATOM 328 CA GLU A 22 -8.562 1.371 -0.107 1.00 0.00 C ATOM 329 C GLU A 22 -8.670 1.193 -1.624 1.00 0.00 C ATOM 330 O GLU A 22 -9.700 1.503 -2.242 1.00 0.00 O ATOM 331 CB GLU A 22 -7.869 2.686 0.205 1.00 0.00 C ATOM 332 CG GLU A 22 -8.698 3.919 -0.098 1.00 0.00 C ATOM 333 CD GLU A 22 -9.985 3.977 0.700 1.00 0.00 C ATOM 334 OE1 GLU A 22 -9.924 4.080 1.941 1.00 0.00 O ATOM 335 OE2 GLU A 22 -11.085 3.931 0.095 1.00 0.00 O ATOM 0 H GLU A 22 -6.893 0.575 0.871 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.565 1.369 0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.596 2.697 1.260 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.941 2.738 -0.365 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.106 4.809 0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.935 3.938 -1.162 1.00 0.00 H new ATOM 342 N LEU A 23 -7.596 0.697 -2.197 1.00 0.00 N ATOM 343 CA LEU A 23 -7.499 0.406 -3.615 1.00 0.00 C ATOM 344 C LEU A 23 -8.504 -0.677 -3.996 1.00 0.00 C ATOM 345 O LEU A 23 -9.223 -0.563 -4.999 1.00 0.00 O ATOM 346 CB LEU A 23 -6.068 -0.035 -3.911 1.00 0.00 C ATOM 347 CG LEU A 23 -5.690 -0.405 -5.341 1.00 0.00 C ATOM 348 CD1 LEU A 23 -5.943 0.756 -6.289 1.00 0.00 C ATOM 349 CD2 LEU A 23 -4.230 -0.766 -5.345 1.00 0.00 C ATOM 0 H LEU A 23 -6.744 0.479 -1.680 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.734 1.291 -4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.403 0.768 -3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.852 -0.897 -3.280 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.298 -1.243 -5.682 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.665 0.466 -7.302 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.000 1.022 -6.265 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.346 1.614 -5.981 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.925 -1.037 -6.356 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.643 0.087 -5.005 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.062 -1.611 -4.677 1.00 0.00 H new ATOM 361 N PHE A 24 -8.581 -1.707 -3.185 1.00 0.00 N ATOM 362 CA PHE A 24 -9.528 -2.764 -3.413 1.00 0.00 C ATOM 363 C PHE A 24 -10.943 -2.335 -3.193 1.00 0.00 C ATOM 364 O PHE A 24 -11.804 -2.767 -3.902 1.00 0.00 O ATOM 365 CB PHE A 24 -9.194 -4.034 -2.669 1.00 0.00 C ATOM 366 CG PHE A 24 -8.098 -4.778 -3.326 1.00 0.00 C ATOM 367 CD1 PHE A 24 -8.343 -5.473 -4.484 1.00 0.00 C ATOM 368 CD2 PHE A 24 -6.832 -4.768 -2.815 1.00 0.00 C ATOM 369 CE1 PHE A 24 -7.345 -6.146 -5.114 1.00 0.00 C ATOM 370 CE2 PHE A 24 -5.819 -5.441 -3.443 1.00 0.00 C ATOM 371 CZ PHE A 24 -6.077 -6.134 -4.597 1.00 0.00 C ATOM 0 H PHE A 24 -7.995 -1.832 -2.360 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.440 -3.004 -4.473 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.908 -3.792 -1.645 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.080 -4.666 -2.611 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.340 -5.485 -4.899 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.628 -4.223 -1.905 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.552 -6.691 -6.023 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.821 -5.426 -3.031 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.283 -6.669 -5.097 1.00 0.00 H new ATOM 381 N GLU A 25 -11.182 -1.460 -2.251 1.00 0.00 N ATOM 382 CA GLU A 25 -12.526 -0.926 -2.067 1.00 0.00 C ATOM 383 C GLU A 25 -12.940 -0.013 -3.206 1.00 0.00 C ATOM 384 O GLU A 25 -14.113 0.220 -3.426 1.00 0.00 O ATOM 385 CB GLU A 25 -12.708 -0.258 -0.707 1.00 0.00 C ATOM 386 CG GLU A 25 -12.806 -1.255 0.432 1.00 0.00 C ATOM 387 CD GLU A 25 -14.073 -2.112 0.371 1.00 0.00 C ATOM 388 OE1 GLU A 25 -14.480 -2.568 -0.732 1.00 0.00 O ATOM 389 OE2 GLU A 25 -14.687 -2.342 1.431 1.00 0.00 O ATOM 0 H GLU A 25 -10.482 -1.100 -1.603 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.200 -1.782 -2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.870 0.415 -0.523 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.610 0.354 -0.726 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.932 -1.907 0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.783 -0.718 1.380 1.00 0.00 H new ATOM 396 N GLU A 26 -11.972 0.493 -3.922 1.00 0.00 N ATOM 397 CA GLU A 26 -12.239 1.339 -5.047 1.00 0.00 C ATOM 398 C GLU A 26 -12.592 0.488 -6.282 1.00 0.00 C ATOM 399 O GLU A 26 -13.442 0.868 -7.089 1.00 0.00 O ATOM 400 CB GLU A 26 -11.030 2.210 -5.313 1.00 0.00 C ATOM 401 CG GLU A 26 -11.238 3.269 -6.354 1.00 0.00 C ATOM 402 CD GLU A 26 -9.991 4.041 -6.588 1.00 0.00 C ATOM 403 OE1 GLU A 26 -9.139 3.560 -7.339 1.00 0.00 O ATOM 404 OE2 GLU A 26 -9.840 5.153 -5.993 1.00 0.00 O ATOM 0 H GLU A 26 -10.982 0.330 -3.741 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.093 1.980 -4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.732 2.690 -4.381 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.201 1.573 -5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.564 2.808 -7.286 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.033 3.944 -6.037 1.00 0.00 H new ATOM 411 N HIS A 27 -11.950 -0.664 -6.410 1.00 0.00 N ATOM 412 CA HIS A 27 -12.207 -1.563 -7.547 1.00 0.00 C ATOM 413 C HIS A 27 -13.379 -2.486 -7.284 1.00 0.00 C ATOM 414 O HIS A 27 -14.244 -2.679 -8.148 1.00 0.00 O ATOM 415 CB HIS A 27 -10.985 -2.428 -7.896 1.00 0.00 C ATOM 416 CG HIS A 27 -9.886 -1.740 -8.635 1.00 0.00 C ATOM 417 ND1 HIS A 27 -9.721 -1.860 -9.988 1.00 0.00 N ATOM 418 CD2 HIS A 27 -8.860 -0.979 -8.205 1.00 0.00 C ATOM 419 CE1 HIS A 27 -8.658 -1.215 -10.358 1.00 0.00 C ATOM 420 NE2 HIS A 27 -8.112 -0.670 -9.300 1.00 0.00 N ATOM 0 H HIS A 27 -11.250 -1.005 -5.751 1.00 0.00 H new ATOM 0 HA HIS A 27 -12.436 -0.907 -8.387 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.576 -2.833 -6.971 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -11.323 -3.275 -8.493 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.668 -0.673 -7.187 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.286 -1.140 -11.369 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -7.263 -0.105 -9.297 1.00 0.00 H new ATOM 429 N LYS A 28 -13.370 -3.070 -6.093 1.00 0.00 N ATOM 430 CA LYS A 28 -14.339 -4.058 -5.625 1.00 0.00 C ATOM 431 C LYS A 28 -14.343 -5.293 -6.503 1.00 0.00 C ATOM 432 O LYS A 28 -15.327 -6.011 -6.607 1.00 0.00 O ATOM 433 CB LYS A 28 -15.715 -3.448 -5.423 1.00 0.00 C ATOM 434 CG LYS A 28 -15.720 -2.409 -4.321 1.00 0.00 C ATOM 435 CD LYS A 28 -17.082 -1.792 -4.108 1.00 0.00 C ATOM 436 CE LYS A 28 -17.026 -0.721 -3.039 1.00 0.00 C ATOM 437 NZ LYS A 28 -16.627 -1.259 -1.724 1.00 0.00 N ATOM 0 H LYS A 28 -12.657 -2.860 -5.395 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.023 -4.396 -4.638 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.049 -2.990 -6.354 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.429 -4.236 -5.182 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.385 -2.869 -3.392 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.004 -1.624 -4.564 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.441 -1.361 -5.043 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.795 -2.564 -3.819 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.321 0.053 -3.341 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.003 -0.246 -2.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.766 -0.531 -0.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.209 -2.091 -1.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -15.625 -1.535 -1.751 1.00 0.00 H new ATOM 451 N LYS A 29 -13.202 -5.536 -7.089 1.00 0.00 N ATOM 452 CA LYS A 29 -12.933 -6.690 -7.879 1.00 0.00 C ATOM 453 C LYS A 29 -11.529 -7.105 -7.517 1.00 0.00 C ATOM 454 O LYS A 29 -10.738 -6.236 -7.105 1.00 0.00 O ATOM 455 CB LYS A 29 -12.989 -6.397 -9.393 1.00 0.00 C ATOM 456 CG LYS A 29 -14.304 -5.836 -9.913 1.00 0.00 C ATOM 457 CD LYS A 29 -14.358 -5.854 -11.445 1.00 0.00 C ATOM 458 CE LYS A 29 -13.215 -5.075 -12.103 1.00 0.00 C ATOM 459 NZ LYS A 29 -13.269 -3.627 -11.819 1.00 0.00 N ATOM 0 H LYS A 29 -12.405 -4.903 -7.021 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.681 -7.458 -7.682 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.194 -5.692 -9.637 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.772 -7.320 -9.930 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.133 -6.419 -9.512 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.431 -4.814 -9.556 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.329 -6.888 -11.790 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.309 -5.435 -11.773 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.262 -5.473 -11.754 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.250 -5.230 -13.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.473 -3.151 -12.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.165 -3.237 -12.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.208 -3.472 -10.792 1.00 0.00 H new ATOM 473 N PRO A 30 -11.187 -8.388 -7.631 1.00 0.00 N ATOM 474 CA PRO A 30 -9.843 -8.870 -7.321 1.00 0.00 C ATOM 475 C PRO A 30 -8.826 -8.350 -8.334 1.00 0.00 C ATOM 476 O PRO A 30 -9.113 -8.266 -9.536 1.00 0.00 O ATOM 477 CB PRO A 30 -9.979 -10.402 -7.409 1.00 0.00 C ATOM 478 CG PRO A 30 -11.446 -10.665 -7.399 1.00 0.00 C ATOM 479 CD PRO A 30 -12.067 -9.487 -8.059 1.00 0.00 C ATOM 0 HA PRO A 30 -9.486 -8.532 -6.348 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.516 -10.787 -8.318 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.486 -10.890 -6.569 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.683 -11.585 -7.934 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -11.816 -10.784 -6.381 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.088 -9.593 -9.144 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.096 -9.334 -7.734 1.00 0.00 H new ATOM 487 N VAL A 31 -7.662 -7.980 -7.858 1.00 0.00 N ATOM 488 CA VAL A 31 -6.630 -7.405 -8.702 1.00 0.00 C ATOM 489 C VAL A 31 -5.332 -8.151 -8.445 1.00 0.00 C ATOM 490 O VAL A 31 -4.993 -8.407 -7.280 1.00 0.00 O ATOM 491 CB VAL A 31 -6.417 -5.871 -8.404 1.00 0.00 C ATOM 492 CG1 VAL A 31 -5.343 -5.263 -9.299 1.00 0.00 C ATOM 493 CG2 VAL A 31 -7.714 -5.091 -8.560 1.00 0.00 C ATOM 0 H VAL A 31 -7.399 -8.067 -6.876 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.939 -7.500 -9.743 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.084 -5.799 -7.369 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.227 -4.205 -9.062 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.397 -5.778 -9.133 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.636 -5.370 -10.343 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.533 -4.037 -8.348 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.082 -5.197 -9.580 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.458 -5.479 -7.864 1.00 0.00 H new ATOM 503 N PRO A 32 -4.616 -8.574 -9.512 1.00 0.00 N ATOM 504 CA PRO A 32 -3.335 -9.263 -9.374 1.00 0.00 C ATOM 505 C PRO A 32 -2.322 -8.399 -8.629 1.00 0.00 C ATOM 506 O PRO A 32 -2.319 -7.155 -8.768 1.00 0.00 O ATOM 507 CB PRO A 32 -2.886 -9.501 -10.819 1.00 0.00 C ATOM 508 CG PRO A 32 -4.137 -9.439 -11.616 1.00 0.00 C ATOM 509 CD PRO A 32 -5.011 -8.439 -10.929 1.00 0.00 C ATOM 0 HA PRO A 32 -3.419 -10.186 -8.800 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.172 -8.743 -11.142 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.395 -10.468 -10.927 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.931 -9.138 -12.643 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.620 -10.415 -11.661 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.840 -7.429 -11.302 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.069 -8.658 -11.076 1.00 0.00 H new ATOM 517 N PHE A 33 -1.464 -9.060 -7.874 1.00 0.00 N ATOM 518 CA PHE A 33 -0.481 -8.431 -6.998 1.00 0.00 C ATOM 519 C PHE A 33 0.348 -7.357 -7.719 1.00 0.00 C ATOM 520 O PHE A 33 0.532 -6.263 -7.205 1.00 0.00 O ATOM 521 CB PHE A 33 0.412 -9.524 -6.379 1.00 0.00 C ATOM 522 CG PHE A 33 1.412 -9.052 -5.361 1.00 0.00 C ATOM 523 CD1 PHE A 33 1.011 -8.761 -4.072 1.00 0.00 C ATOM 524 CD2 PHE A 33 2.749 -8.922 -5.686 1.00 0.00 C ATOM 525 CE1 PHE A 33 1.915 -8.347 -3.125 1.00 0.00 C ATOM 526 CE2 PHE A 33 3.662 -8.509 -4.738 1.00 0.00 C ATOM 527 CZ PHE A 33 3.242 -8.220 -3.455 1.00 0.00 C ATOM 0 H PHE A 33 -1.427 -10.079 -7.850 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.011 -7.906 -6.203 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.230 -10.270 -5.911 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.950 -10.026 -7.183 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.031 -8.861 -3.804 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.081 -9.145 -6.689 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.583 -8.122 -2.122 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.705 -8.412 -4.999 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.956 -7.895 -2.712 1.00 0.00 H new ATOM 537 N GLN A 34 0.776 -7.648 -8.928 1.00 0.00 N ATOM 538 CA GLN A 34 1.595 -6.705 -9.686 1.00 0.00 C ATOM 539 C GLN A 34 0.826 -5.442 -10.091 1.00 0.00 C ATOM 540 O GLN A 34 1.365 -4.339 -10.024 1.00 0.00 O ATOM 541 CB GLN A 34 2.185 -7.366 -10.927 1.00 0.00 C ATOM 542 CG GLN A 34 3.131 -8.520 -10.633 1.00 0.00 C ATOM 543 CD GLN A 34 4.358 -8.130 -9.822 1.00 0.00 C ATOM 544 OE1 GLN A 34 4.836 -6.918 -9.973 1.00 0.00 O flip ATOM 545 NE2 GLN A 34 4.882 -8.938 -9.077 1.00 0.00 N flip ATOM 0 H GLN A 34 0.576 -8.523 -9.412 1.00 0.00 H new ATOM 0 HA GLN A 34 2.401 -6.400 -9.018 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.370 -7.730 -11.552 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.719 -6.613 -11.506 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.585 -9.295 -10.095 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.457 -8.957 -11.577 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.487 -9.873 -8.980 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.716 -8.679 -8.550 1.00 0.00 H new ATOM 554 N GLU A 35 -0.445 -5.598 -10.418 1.00 0.00 N ATOM 555 CA GLU A 35 -1.231 -4.508 -10.964 1.00 0.00 C ATOM 556 C GLU A 35 -1.684 -3.563 -9.890 1.00 0.00 C ATOM 557 O GLU A 35 -1.783 -2.356 -10.113 1.00 0.00 O ATOM 558 CB GLU A 35 -2.391 -5.045 -11.780 1.00 0.00 C ATOM 559 CG GLU A 35 -1.932 -5.715 -13.059 1.00 0.00 C ATOM 560 CD GLU A 35 -3.039 -6.407 -13.798 1.00 0.00 C ATOM 561 OE1 GLU A 35 -4.012 -5.742 -14.212 1.00 0.00 O ATOM 562 OE2 GLU A 35 -2.952 -7.624 -13.989 1.00 0.00 O ATOM 0 H GLU A 35 -0.956 -6.475 -10.314 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.595 -3.931 -11.635 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.955 -5.760 -11.180 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.070 -4.228 -12.024 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.482 -4.967 -13.711 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.154 -6.441 -12.822 1.00 0.00 H new ATOM 569 N LEU A 36 -1.913 -4.093 -8.709 1.00 0.00 N ATOM 570 CA LEU A 36 -2.285 -3.256 -7.597 1.00 0.00 C ATOM 571 C LEU A 36 -1.082 -2.386 -7.206 1.00 0.00 C ATOM 572 O LEU A 36 -1.230 -1.219 -6.869 1.00 0.00 O ATOM 573 CB LEU A 36 -2.856 -4.109 -6.416 1.00 0.00 C ATOM 574 CG LEU A 36 -1.917 -5.129 -5.725 1.00 0.00 C ATOM 575 CD1 LEU A 36 -1.043 -4.478 -4.671 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.694 -6.282 -5.133 1.00 0.00 C ATOM 0 H LEU A 36 -1.849 -5.089 -8.498 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.096 -2.586 -7.882 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.217 -3.420 -5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.723 -4.655 -6.789 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.259 -5.522 -6.500 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.402 -5.232 -4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.425 -3.709 -5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.673 -4.025 -3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.005 -6.979 -4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.398 -5.904 -4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.241 -6.796 -5.923 1.00 0.00 H new ATOM 588 N LEU A 37 0.117 -2.958 -7.342 1.00 0.00 N ATOM 589 CA LEU A 37 1.355 -2.255 -7.052 1.00 0.00 C ATOM 590 C LEU A 37 1.589 -1.162 -8.074 1.00 0.00 C ATOM 591 O LEU A 37 2.092 -0.096 -7.739 1.00 0.00 O ATOM 592 CB LEU A 37 2.527 -3.224 -7.042 1.00 0.00 C ATOM 593 CG LEU A 37 2.514 -4.282 -5.947 1.00 0.00 C ATOM 594 CD1 LEU A 37 3.602 -5.292 -6.200 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.696 -3.644 -4.577 1.00 0.00 C ATOM 0 H LEU A 37 0.250 -3.919 -7.656 1.00 0.00 H new ATOM 0 HA LEU A 37 1.272 -1.801 -6.065 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.562 -3.730 -8.007 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.448 -2.648 -6.951 1.00 0.00 H new ATOM 0 HG LEU A 37 1.547 -4.786 -5.962 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.588 -6.047 -5.414 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.437 -5.771 -7.165 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.570 -4.791 -6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.683 -4.419 -3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.650 -3.117 -4.545 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.885 -2.939 -4.393 1.00 0.00 H new ATOM 607 N ASN A 38 1.222 -1.444 -9.318 1.00 0.00 N ATOM 608 CA ASN A 38 1.282 -0.461 -10.407 1.00 0.00 C ATOM 609 C ASN A 38 0.488 0.785 -10.024 1.00 0.00 C ATOM 610 O ASN A 38 0.983 1.913 -10.131 1.00 0.00 O ATOM 611 CB ASN A 38 0.711 -1.045 -11.722 1.00 0.00 C ATOM 612 CG ASN A 38 1.539 -2.160 -12.356 1.00 0.00 C ATOM 613 OD1 ASN A 38 0.991 -3.080 -12.954 1.00 0.00 O ATOM 614 ND2 ASN A 38 2.843 -2.064 -12.297 1.00 0.00 N ATOM 0 H ASN A 38 0.874 -2.358 -9.606 1.00 0.00 H new ATOM 0 HA ASN A 38 2.328 -0.202 -10.568 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.291 -1.426 -11.526 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.608 -0.236 -12.445 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.427 -2.764 -12.755 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.275 -1.289 -11.793 1.00 0.00 H new ATOM 621 N GLU A 39 -0.726 0.573 -9.535 1.00 0.00 N ATOM 622 CA GLU A 39 -1.584 1.674 -9.119 1.00 0.00 C ATOM 623 C GLU A 39 -1.032 2.366 -7.880 1.00 0.00 C ATOM 624 O GLU A 39 -0.962 3.594 -7.834 1.00 0.00 O ATOM 625 CB GLU A 39 -3.010 1.206 -8.872 1.00 0.00 C ATOM 626 CG GLU A 39 -3.660 0.582 -10.084 1.00 0.00 C ATOM 627 CD GLU A 39 -5.123 0.328 -9.881 1.00 0.00 C ATOM 628 OE1 GLU A 39 -5.920 1.288 -9.946 1.00 0.00 O ATOM 629 OE2 GLU A 39 -5.517 -0.822 -9.656 1.00 0.00 O ATOM 0 H GLU A 39 -1.139 -0.352 -9.417 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.601 2.395 -9.936 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.010 0.482 -8.057 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.610 2.055 -8.545 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.524 1.238 -10.944 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.160 -0.358 -10.318 1.00 0.00 H new ATOM 636 N ILE A 40 -0.606 1.570 -6.899 1.00 0.00 N ATOM 637 CA ILE A 40 -0.033 2.089 -5.654 1.00 0.00 C ATOM 638 C ILE A 40 1.162 2.998 -5.948 1.00 0.00 C ATOM 639 O ILE A 40 1.204 4.124 -5.506 1.00 0.00 O ATOM 640 CB ILE A 40 0.392 0.926 -4.683 1.00 0.00 C ATOM 641 CG1 ILE A 40 -0.848 0.182 -4.162 1.00 0.00 C ATOM 642 CG2 ILE A 40 1.242 1.432 -3.515 1.00 0.00 C ATOM 643 CD1 ILE A 40 -0.534 -1.002 -3.265 1.00 0.00 C ATOM 0 H ILE A 40 -0.647 0.552 -6.943 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.807 2.674 -5.156 1.00 0.00 H new ATOM 0 HB ILE A 40 1.008 0.234 -5.256 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.474 0.884 -3.612 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.433 -0.167 -5.013 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.512 0.594 -2.872 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.148 1.900 -3.900 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.673 2.162 -2.940 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.464 -1.470 -2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.065 -1.727 -3.816 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.023 -0.660 -2.392 1.00 0.00 H new ATOM 655 N ALA A 41 2.075 2.520 -6.752 1.00 0.00 N ATOM 656 CA ALA A 41 3.274 3.264 -7.096 1.00 0.00 C ATOM 657 C ALA A 41 2.982 4.531 -7.904 1.00 0.00 C ATOM 658 O ALA A 41 3.784 5.448 -7.927 1.00 0.00 O ATOM 659 CB ALA A 41 4.282 2.382 -7.780 1.00 0.00 C ATOM 0 H ALA A 41 2.015 1.602 -7.192 1.00 0.00 H new ATOM 0 HA ALA A 41 3.710 3.605 -6.157 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.169 2.966 -8.026 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.559 1.563 -7.116 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.850 1.977 -8.695 1.00 0.00 H new ATOM 665 N SER A 42 1.913 4.524 -8.661 1.00 0.00 N ATOM 666 CA SER A 42 1.511 5.715 -9.392 1.00 0.00 C ATOM 667 C SER A 42 0.913 6.774 -8.454 1.00 0.00 C ATOM 668 O SER A 42 1.275 7.959 -8.526 1.00 0.00 O ATOM 669 CB SER A 42 0.557 5.353 -10.521 1.00 0.00 C ATOM 670 OG SER A 42 1.122 4.329 -11.338 1.00 0.00 O ATOM 0 H SER A 42 1.304 3.716 -8.791 1.00 0.00 H new ATOM 0 HA SER A 42 2.401 6.157 -9.839 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.394 5.015 -10.109 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.347 6.235 -11.126 1.00 0.00 H new ATOM 0 HG SER A 42 0.918 3.452 -10.951 1.00 0.00 H new ATOM 676 N LEU A 43 0.018 6.339 -7.591 1.00 0.00 N ATOM 677 CA LEU A 43 -0.636 7.208 -6.633 1.00 0.00 C ATOM 678 C LEU A 43 0.356 7.735 -5.623 1.00 0.00 C ATOM 679 O LEU A 43 0.412 8.935 -5.358 1.00 0.00 O ATOM 680 CB LEU A 43 -1.776 6.453 -5.967 1.00 0.00 C ATOM 681 CG LEU A 43 -2.959 6.167 -6.883 1.00 0.00 C ATOM 682 CD1 LEU A 43 -3.868 5.128 -6.277 1.00 0.00 C ATOM 683 CD2 LEU A 43 -3.731 7.450 -7.125 1.00 0.00 C ATOM 0 H LEU A 43 -0.279 5.365 -7.534 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.051 8.074 -7.149 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.394 5.508 -5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.126 7.029 -5.110 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.583 5.780 -7.830 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.705 4.941 -6.949 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.312 4.203 -6.123 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.245 5.488 -5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.578 7.247 -7.780 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.093 7.841 -6.174 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.077 8.185 -7.594 1.00 0.00 H new ATOM 695 N LEU A 44 1.139 6.846 -5.066 1.00 0.00 N ATOM 696 CA LEU A 44 2.200 7.238 -4.185 1.00 0.00 C ATOM 697 C LEU A 44 3.280 7.808 -5.036 1.00 0.00 C ATOM 698 O LEU A 44 3.808 7.110 -5.868 1.00 0.00 O ATOM 699 CB LEU A 44 2.805 6.040 -3.415 1.00 0.00 C ATOM 700 CG LEU A 44 2.043 5.427 -2.230 1.00 0.00 C ATOM 701 CD1 LEU A 44 0.677 4.918 -2.632 1.00 0.00 C ATOM 702 CD2 LEU A 44 2.874 4.293 -1.656 1.00 0.00 C ATOM 0 H LEU A 44 1.057 5.840 -5.211 1.00 0.00 H new ATOM 0 HA LEU A 44 1.801 7.942 -3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.976 5.243 -4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.782 6.351 -3.046 1.00 0.00 H new ATOM 0 HG LEU A 44 1.884 6.204 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.176 4.494 -1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.083 5.743 -3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.786 4.150 -3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.347 3.846 -0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.037 3.537 -2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.835 4.681 -1.319 1.00 0.00 H new ATOM 714 N GLY A 45 3.535 9.069 -4.903 1.00 0.00 N ATOM 715 CA GLY A 45 4.673 9.700 -5.607 1.00 0.00 C ATOM 716 C GLY A 45 6.053 9.131 -5.206 1.00 0.00 C ATOM 717 O GLY A 45 6.895 9.831 -4.653 1.00 0.00 O ATOM 0 H GLY A 45 2.990 9.705 -4.322 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.538 9.574 -6.681 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.661 10.772 -5.408 1.00 0.00 H new ATOM 721 N VAL A 46 6.263 7.878 -5.496 1.00 0.00 N ATOM 722 CA VAL A 46 7.477 7.161 -5.196 1.00 0.00 C ATOM 723 C VAL A 46 7.950 6.487 -6.470 1.00 0.00 C ATOM 724 O VAL A 46 7.213 6.457 -7.466 1.00 0.00 O ATOM 725 CB VAL A 46 7.224 6.060 -4.114 1.00 0.00 C ATOM 726 CG1 VAL A 46 6.696 6.670 -2.827 1.00 0.00 C ATOM 727 CG2 VAL A 46 6.253 4.988 -4.629 1.00 0.00 C ATOM 0 H VAL A 46 5.566 7.302 -5.967 1.00 0.00 H new ATOM 0 HA VAL A 46 8.221 7.860 -4.813 1.00 0.00 H new ATOM 0 HB VAL A 46 8.181 5.584 -3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.529 5.882 -2.093 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.423 7.382 -2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.756 7.185 -3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.097 4.237 -3.855 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.300 5.452 -4.882 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.672 4.513 -5.516 1.00 0.00 H new ATOM 737 N LYS A 47 9.141 5.967 -6.473 1.00 0.00 N ATOM 738 CA LYS A 47 9.603 5.241 -7.623 1.00 0.00 C ATOM 739 C LYS A 47 9.294 3.758 -7.401 1.00 0.00 C ATOM 740 O LYS A 47 9.221 3.301 -6.261 1.00 0.00 O ATOM 741 CB LYS A 47 11.100 5.486 -7.863 1.00 0.00 C ATOM 742 CG LYS A 47 12.027 4.798 -6.880 1.00 0.00 C ATOM 743 CD LYS A 47 13.409 5.402 -6.861 1.00 0.00 C ATOM 744 CE LYS A 47 14.058 5.470 -8.227 1.00 0.00 C ATOM 745 NZ LYS A 47 15.393 6.087 -8.152 1.00 0.00 N ATOM 0 H LYS A 47 9.806 6.029 -5.702 1.00 0.00 H new ATOM 0 HA LYS A 47 9.090 5.586 -8.521 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.351 5.153 -8.870 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.288 6.559 -7.826 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.596 4.855 -5.880 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.101 3.741 -7.135 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.351 6.408 -6.445 1.00 0.00 H new ATOM 0 HD3 LYS A 47 14.043 4.817 -6.195 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.141 4.466 -8.643 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.426 6.045 -8.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.814 6.120 -9.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 15.308 7.053 -7.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 16.001 5.524 -7.524 1.00 0.00 H new ATOM 759 N LYS A 48 9.110 3.014 -8.462 1.00 0.00 N ATOM 760 CA LYS A 48 8.749 1.598 -8.346 1.00 0.00 C ATOM 761 C LYS A 48 9.840 0.769 -7.641 1.00 0.00 C ATOM 762 O LYS A 48 9.537 -0.172 -6.931 1.00 0.00 O ATOM 763 CB LYS A 48 8.431 0.997 -9.716 1.00 0.00 C ATOM 764 CG LYS A 48 8.175 -0.499 -9.690 1.00 0.00 C ATOM 765 CD LYS A 48 6.837 -0.886 -9.063 1.00 0.00 C ATOM 766 CE LYS A 48 6.727 -2.403 -8.931 1.00 0.00 C ATOM 767 NZ LYS A 48 6.971 -3.108 -10.218 1.00 0.00 N ATOM 0 H LYS A 48 9.201 3.351 -9.420 1.00 0.00 H new ATOM 0 HA LYS A 48 7.854 1.556 -7.725 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.554 1.498 -10.126 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.261 1.201 -10.392 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.212 -0.882 -10.710 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.979 -0.986 -9.138 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.741 -0.422 -8.081 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.019 -0.508 -9.676 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.444 -2.752 -8.188 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.734 -2.661 -8.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.689 -4.105 -10.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.413 -2.658 -10.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.982 -3.055 -10.457 1.00 0.00 H new ATOM 781 N GLU A 49 11.087 1.150 -7.823 1.00 0.00 N ATOM 782 CA GLU A 49 12.218 0.417 -7.242 1.00 0.00 C ATOM 783 C GLU A 49 12.179 0.422 -5.715 1.00 0.00 C ATOM 784 O GLU A 49 12.243 -0.647 -5.057 1.00 0.00 O ATOM 785 CB GLU A 49 13.526 0.999 -7.747 1.00 0.00 C ATOM 786 CG GLU A 49 13.641 0.966 -9.258 1.00 0.00 C ATOM 787 CD GLU A 49 13.327 -0.405 -9.812 1.00 0.00 C ATOM 788 OE1 GLU A 49 14.054 -1.362 -9.512 1.00 0.00 O ATOM 789 OE2 GLU A 49 12.298 -0.560 -10.508 1.00 0.00 O ATOM 0 H GLU A 49 11.355 1.967 -8.371 1.00 0.00 H new ATOM 0 HA GLU A 49 12.141 -0.623 -7.560 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.616 2.029 -7.403 1.00 0.00 H new ATOM 0 HB3 GLU A 49 14.357 0.444 -7.312 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.960 1.698 -9.691 1.00 0.00 H new ATOM 0 HG3 GLU A 49 14.650 1.256 -9.553 1.00 0.00 H new ATOM 796 N GLU A 50 12.015 1.609 -5.154 1.00 0.00 N ATOM 797 CA GLU A 50 11.950 1.766 -3.719 1.00 0.00 C ATOM 798 C GLU A 50 10.658 1.128 -3.224 1.00 0.00 C ATOM 799 O GLU A 50 10.586 0.599 -2.130 1.00 0.00 O ATOM 800 CB GLU A 50 11.984 3.247 -3.340 1.00 0.00 C ATOM 801 CG GLU A 50 10.713 3.995 -3.695 1.00 0.00 C ATOM 802 CD GLU A 50 10.771 5.443 -3.357 1.00 0.00 C ATOM 803 OE1 GLU A 50 10.837 5.766 -2.156 1.00 0.00 O ATOM 804 OE2 GLU A 50 10.739 6.272 -4.271 1.00 0.00 O ATOM 0 H GLU A 50 11.925 2.479 -5.678 1.00 0.00 H new ATOM 0 HA GLU A 50 12.809 1.280 -3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.160 3.335 -2.268 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.827 3.722 -3.841 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.521 3.885 -4.762 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.873 3.540 -3.171 1.00 0.00 H new ATOM 811 N LEU A 51 9.637 1.167 -4.075 1.00 0.00 N ATOM 812 CA LEU A 51 8.366 0.572 -3.779 1.00 0.00 C ATOM 813 C LEU A 51 8.554 -0.940 -3.747 1.00 0.00 C ATOM 814 O LEU A 51 7.877 -1.605 -3.037 1.00 0.00 O ATOM 815 CB LEU A 51 7.301 1.046 -4.820 1.00 0.00 C ATOM 816 CG LEU A 51 5.789 0.747 -4.567 1.00 0.00 C ATOM 817 CD1 LEU A 51 5.422 -0.707 -4.819 1.00 0.00 C ATOM 818 CD2 LEU A 51 5.382 1.163 -3.157 1.00 0.00 C ATOM 0 H LEU A 51 9.682 1.617 -4.989 1.00 0.00 H new ATOM 0 HA LEU A 51 7.991 0.885 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.407 2.126 -4.926 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.565 0.604 -5.781 1.00 0.00 H new ATOM 0 HG LEU A 51 5.232 1.343 -5.290 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.359 -0.853 -4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.641 -0.963 -5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.002 -1.349 -4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.325 0.945 -3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.975 0.610 -2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.554 2.232 -3.029 1.00 0.00 H new ATOM 830 N GLY A 52 9.546 -1.429 -4.496 1.00 0.00 N ATOM 831 CA GLY A 52 9.917 -2.836 -4.510 1.00 0.00 C ATOM 832 C GLY A 52 10.429 -3.290 -3.164 1.00 0.00 C ATOM 833 O GLY A 52 10.098 -4.400 -2.682 1.00 0.00 O ATOM 0 H GLY A 52 10.116 -0.850 -5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.053 -3.438 -4.793 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.684 -3.003 -5.267 1.00 0.00 H new ATOM 837 N ASP A 53 11.224 -2.446 -2.534 1.00 0.00 N ATOM 838 CA ASP A 53 11.687 -2.728 -1.157 1.00 0.00 C ATOM 839 C ASP A 53 10.472 -2.828 -0.255 1.00 0.00 C ATOM 840 O ASP A 53 10.315 -3.771 0.543 1.00 0.00 O ATOM 841 CB ASP A 53 12.600 -1.628 -0.626 1.00 0.00 C ATOM 842 CG ASP A 53 13.811 -1.403 -1.472 1.00 0.00 C ATOM 843 OD1 ASP A 53 14.801 -2.133 -1.334 1.00 0.00 O ATOM 844 OD2 ASP A 53 13.802 -0.473 -2.288 1.00 0.00 O ATOM 0 H ASP A 53 11.566 -1.571 -2.931 1.00 0.00 H new ATOM 0 HA ASP A 53 12.254 -3.659 -1.171 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.035 -0.698 -0.558 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.915 -1.884 0.386 1.00 0.00 H new ATOM 849 N ARG A 54 9.566 -1.887 -0.446 1.00 0.00 N ATOM 850 CA ARG A 54 8.324 -1.875 0.290 1.00 0.00 C ATOM 851 C ARG A 54 7.414 -3.028 -0.116 1.00 0.00 C ATOM 852 O ARG A 54 6.501 -3.296 0.570 1.00 0.00 O ATOM 853 CB ARG A 54 7.556 -0.529 0.227 1.00 0.00 C ATOM 854 CG ARG A 54 8.125 0.617 1.084 1.00 0.00 C ATOM 855 CD ARG A 54 9.450 1.125 0.569 1.00 0.00 C ATOM 856 NE ARG A 54 9.964 2.267 1.328 1.00 0.00 N ATOM 857 CZ ARG A 54 10.445 3.402 0.798 1.00 0.00 C ATOM 858 NH1 ARG A 54 10.345 3.636 -0.500 1.00 0.00 N ATOM 859 NH2 ARG A 54 11.012 4.287 1.574 1.00 0.00 N ATOM 0 H ARG A 54 9.672 -1.119 -1.109 1.00 0.00 H new ATOM 0 HA ARG A 54 8.620 -2.006 1.331 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.527 -0.199 -0.811 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.525 -0.707 0.534 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.409 1.439 1.107 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.247 0.272 2.111 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.180 0.316 0.603 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.340 1.412 -0.477 1.00 0.00 H new ATOM 0 HE ARG A 54 9.956 2.193 2.345 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.899 2.950 -1.109 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.714 4.502 -0.892 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.087 4.113 2.576 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.380 5.152 1.178 1.00 0.00 H new ATOM 873 N ILE A 55 7.673 -3.677 -1.262 1.00 0.00 N ATOM 874 CA ILE A 55 6.911 -4.860 -1.692 1.00 0.00 C ATOM 875 C ILE A 55 7.254 -6.007 -0.774 1.00 0.00 C ATOM 876 O ILE A 55 6.396 -6.803 -0.411 1.00 0.00 O ATOM 877 CB ILE A 55 7.188 -5.272 -3.190 1.00 0.00 C ATOM 878 CG1 ILE A 55 6.677 -4.198 -4.151 1.00 0.00 C ATOM 879 CG2 ILE A 55 6.559 -6.627 -3.537 1.00 0.00 C ATOM 880 CD1 ILE A 55 6.957 -4.489 -5.616 1.00 0.00 C ATOM 0 H ILE A 55 8.409 -3.400 -1.911 1.00 0.00 H new ATOM 0 HA ILE A 55 5.852 -4.610 -1.636 1.00 0.00 H new ATOM 0 HB ILE A 55 8.268 -5.366 -3.301 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.602 -4.085 -4.014 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.134 -3.244 -3.888 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.774 -6.872 -4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.976 -7.398 -2.889 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.480 -6.575 -3.392 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.563 -3.679 -6.230 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.033 -4.571 -5.771 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.477 -5.426 -5.899 1.00 0.00 H new ATOM 892 N ALA A 56 8.512 -6.067 -0.380 1.00 0.00 N ATOM 893 CA ALA A 56 8.951 -7.066 0.586 1.00 0.00 C ATOM 894 C ALA A 56 8.216 -6.845 1.920 1.00 0.00 C ATOM 895 O ALA A 56 7.554 -7.774 2.478 1.00 0.00 O ATOM 896 CB ALA A 56 10.455 -6.982 0.775 1.00 0.00 C ATOM 0 H ALA A 56 9.247 -5.441 -0.710 1.00 0.00 H new ATOM 0 HA ALA A 56 8.712 -8.063 0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.773 -7.732 1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.952 -7.163 -0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.721 -5.990 1.140 1.00 0.00 H new ATOM 902 N GLN A 57 8.277 -5.598 2.400 1.00 0.00 N ATOM 903 CA GLN A 57 7.579 -5.211 3.630 1.00 0.00 C ATOM 904 C GLN A 57 6.077 -5.489 3.451 1.00 0.00 C ATOM 905 O GLN A 57 5.427 -5.985 4.344 1.00 0.00 O ATOM 906 CB GLN A 57 7.807 -3.708 3.912 1.00 0.00 C ATOM 907 CG GLN A 57 7.806 -3.284 5.403 1.00 0.00 C ATOM 908 CD GLN A 57 6.525 -3.544 6.179 1.00 0.00 C ATOM 909 OE1 GLN A 57 5.628 -2.707 6.225 1.00 0.00 O ATOM 910 NE2 GLN A 57 6.452 -4.678 6.838 1.00 0.00 N ATOM 0 H GLN A 57 8.800 -4.843 1.957 1.00 0.00 H new ATOM 0 HA GLN A 57 7.964 -5.786 4.472 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.762 -3.418 3.474 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.034 -3.141 3.394 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.622 -3.803 5.906 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.027 -2.218 5.455 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.215 -5.352 6.778 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.632 -4.884 7.409 1.00 0.00 H new ATOM 919 N PHE A 58 5.584 -5.208 2.260 1.00 0.00 N ATOM 920 CA PHE A 58 4.190 -5.375 1.871 1.00 0.00 C ATOM 921 C PHE A 58 3.773 -6.827 1.936 1.00 0.00 C ATOM 922 O PHE A 58 2.666 -7.103 2.295 1.00 0.00 O ATOM 923 CB PHE A 58 3.975 -4.803 0.466 1.00 0.00 C ATOM 924 CG PHE A 58 2.566 -4.752 -0.037 1.00 0.00 C ATOM 925 CD1 PHE A 58 1.608 -4.009 0.620 1.00 0.00 C ATOM 926 CD2 PHE A 58 2.213 -5.421 -1.189 1.00 0.00 C ATOM 927 CE1 PHE A 58 0.321 -3.938 0.138 1.00 0.00 C ATOM 928 CE2 PHE A 58 0.932 -5.350 -1.679 1.00 0.00 C ATOM 929 CZ PHE A 58 -0.017 -4.607 -1.017 1.00 0.00 C ATOM 0 H PHE A 58 6.164 -4.842 1.505 1.00 0.00 H new ATOM 0 HA PHE A 58 3.563 -4.827 2.575 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.379 -3.791 0.447 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.564 -5.395 -0.235 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.871 -3.477 1.523 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.953 -6.008 -1.713 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.423 -3.359 0.665 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.670 -5.878 -2.584 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.024 -4.548 -1.402 1.00 0.00 H new ATOM 939 N TYR A 59 4.664 -7.752 1.580 1.00 0.00 N ATOM 940 CA TYR A 59 4.366 -9.177 1.732 1.00 0.00 C ATOM 941 C TYR A 59 4.071 -9.495 3.174 1.00 0.00 C ATOM 942 O TYR A 59 3.072 -10.154 3.483 1.00 0.00 O ATOM 943 CB TYR A 59 5.500 -10.084 1.243 1.00 0.00 C ATOM 944 CG TYR A 59 5.483 -10.401 -0.230 1.00 0.00 C ATOM 945 CD1 TYR A 59 4.480 -11.200 -0.755 1.00 0.00 C ATOM 946 CD2 TYR A 59 6.471 -9.939 -1.085 1.00 0.00 C ATOM 947 CE1 TYR A 59 4.456 -11.527 -2.088 1.00 0.00 C ATOM 948 CE2 TYR A 59 6.458 -10.268 -2.426 1.00 0.00 C ATOM 949 CZ TYR A 59 5.445 -11.063 -2.920 1.00 0.00 C ATOM 950 OH TYR A 59 5.424 -11.405 -4.251 1.00 0.00 O ATOM 0 H TYR A 59 5.584 -7.546 1.190 1.00 0.00 H new ATOM 0 HA TYR A 59 3.494 -9.376 1.109 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.451 -9.610 1.485 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.460 -11.020 1.800 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.703 -11.572 -0.104 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.261 -9.313 -0.697 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.663 -12.146 -2.481 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.235 -9.906 -3.083 1.00 0.00 H new ATOM 0 HH TYR A 59 4.941 -10.719 -4.757 1.00 0.00 H new ATOM 960 N THR A 60 4.922 -9.018 4.053 1.00 0.00 N ATOM 961 CA THR A 60 4.720 -9.230 5.472 1.00 0.00 C ATOM 962 C THR A 60 3.426 -8.511 5.946 1.00 0.00 C ATOM 963 O THR A 60 2.541 -9.125 6.547 1.00 0.00 O ATOM 964 CB THR A 60 5.933 -8.692 6.257 1.00 0.00 C ATOM 965 OG1 THR A 60 7.140 -9.228 5.690 1.00 0.00 O ATOM 966 CG2 THR A 60 5.853 -9.087 7.725 1.00 0.00 C ATOM 0 H THR A 60 5.757 -8.483 3.815 1.00 0.00 H new ATOM 0 HA THR A 60 4.615 -10.299 5.656 1.00 0.00 H new ATOM 0 HB THR A 60 5.932 -7.604 6.190 1.00 0.00 H new ATOM 0 HG1 THR A 60 7.914 -8.887 6.185 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.721 -8.695 8.255 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.944 -8.676 8.163 1.00 0.00 H new ATOM 0 HG23 THR A 60 5.837 -10.174 7.809 1.00 0.00 H new ATOM 974 N ASP A 61 3.319 -7.242 5.590 1.00 0.00 N ATOM 975 CA ASP A 61 2.229 -6.345 6.008 1.00 0.00 C ATOM 976 C ASP A 61 0.866 -6.852 5.521 1.00 0.00 C ATOM 977 O ASP A 61 -0.143 -6.724 6.215 1.00 0.00 O ATOM 978 CB ASP A 61 2.513 -4.928 5.465 1.00 0.00 C ATOM 979 CG ASP A 61 1.640 -3.841 6.060 1.00 0.00 C ATOM 980 OD1 ASP A 61 1.590 -3.723 7.303 1.00 0.00 O ATOM 981 OD2 ASP A 61 1.083 -3.025 5.316 1.00 0.00 O ATOM 0 H ASP A 61 4.002 -6.785 4.986 1.00 0.00 H new ATOM 0 HA ASP A 61 2.188 -6.320 7.097 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.558 -4.682 5.655 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.379 -4.933 4.383 1.00 0.00 H new ATOM 986 N LEU A 62 0.865 -7.460 4.350 1.00 0.00 N ATOM 987 CA LEU A 62 -0.330 -8.010 3.733 1.00 0.00 C ATOM 988 C LEU A 62 -0.757 -9.260 4.506 1.00 0.00 C ATOM 989 O LEU A 62 -1.863 -9.339 5.039 1.00 0.00 O ATOM 990 CB LEU A 62 -0.004 -8.430 2.270 1.00 0.00 C ATOM 991 CG LEU A 62 -1.147 -8.508 1.235 1.00 0.00 C ATOM 992 CD1 LEU A 62 -2.361 -9.213 1.753 1.00 0.00 C ATOM 993 CD2 LEU A 62 -1.495 -7.147 0.697 1.00 0.00 C ATOM 0 H LEU A 62 1.708 -7.588 3.790 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.124 -7.263 3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.739 -7.731 1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.471 -9.410 2.308 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.769 -9.113 0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.128 -9.234 0.978 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.098 -10.233 2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.743 -8.685 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.303 -7.238 -0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.814 -6.503 1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.620 -6.712 0.213 1.00 0.00 H new ATOM 1005 N ASN A 63 0.150 -10.219 4.583 1.00 0.00 N ATOM 1006 CA ASN A 63 -0.145 -11.537 5.145 1.00 0.00 C ATOM 1007 C ASN A 63 -0.482 -11.537 6.631 1.00 0.00 C ATOM 1008 O ASN A 63 -1.072 -12.501 7.133 1.00 0.00 O ATOM 1009 CB ASN A 63 0.949 -12.563 4.814 1.00 0.00 C ATOM 1010 CG ASN A 63 0.865 -13.092 3.390 1.00 0.00 C ATOM 1011 OD1 ASN A 63 1.448 -12.544 2.448 1.00 0.00 O ATOM 1012 ND2 ASN A 63 0.173 -14.186 3.229 1.00 0.00 N ATOM 0 H ASN A 63 1.111 -10.112 4.260 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.064 -11.846 4.647 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.926 -12.105 4.967 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.876 -13.399 5.510 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.102 -14.613 2.305 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.297 -14.614 4.027 1.00 0.00 H new ATOM 1019 N ILE A 64 -0.139 -10.484 7.338 1.00 0.00 N ATOM 1020 CA ILE A 64 -0.469 -10.414 8.757 1.00 0.00 C ATOM 1021 C ILE A 64 -1.815 -9.722 8.996 1.00 0.00 C ATOM 1022 O ILE A 64 -2.278 -9.641 10.131 1.00 0.00 O ATOM 1023 CB ILE A 64 0.633 -9.715 9.598 1.00 0.00 C ATOM 1024 CG1 ILE A 64 0.842 -8.256 9.148 1.00 0.00 C ATOM 1025 CG2 ILE A 64 1.933 -10.505 9.516 1.00 0.00 C ATOM 1026 CD1 ILE A 64 1.864 -7.487 9.967 1.00 0.00 C ATOM 0 H ILE A 64 0.359 -9.674 6.969 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.539 -11.449 9.091 1.00 0.00 H new ATOM 0 HB ILE A 64 0.306 -9.689 10.637 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.154 -8.252 8.104 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.113 -7.733 9.197 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.700 -10.007 10.109 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.772 -11.511 9.903 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.259 -10.563 8.477 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.948 -6.471 9.582 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.546 -7.455 11.009 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.833 -7.982 9.898 1.00 0.00 H new ATOM 1038 N ASP A 65 -2.445 -9.257 7.929 1.00 0.00 N ATOM 1039 CA ASP A 65 -3.711 -8.533 8.041 1.00 0.00 C ATOM 1040 C ASP A 65 -4.874 -9.516 7.884 1.00 0.00 C ATOM 1041 O ASP A 65 -4.726 -10.559 7.221 1.00 0.00 O ATOM 1042 CB ASP A 65 -3.789 -7.450 6.963 1.00 0.00 C ATOM 1043 CG ASP A 65 -4.855 -6.417 7.236 1.00 0.00 C ATOM 1044 OD1 ASP A 65 -6.046 -6.681 7.005 1.00 0.00 O ATOM 1045 OD2 ASP A 65 -4.507 -5.325 7.706 1.00 0.00 O ATOM 0 H ASP A 65 -2.104 -9.366 6.974 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.772 -8.057 9.020 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.822 -6.953 6.885 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.985 -7.919 5.999 1.00 0.00 H new ATOM 1050 N GLY A 66 -6.008 -9.212 8.477 1.00 0.00 N ATOM 1051 CA GLY A 66 -7.137 -10.114 8.437 1.00 0.00 C ATOM 1052 C GLY A 66 -8.270 -9.615 7.570 1.00 0.00 C ATOM 1053 O GLY A 66 -9.311 -10.284 7.443 1.00 0.00 O ATOM 0 H GLY A 66 -6.172 -8.347 8.992 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.805 -11.084 8.067 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.506 -10.269 9.451 1.00 0.00 H new ATOM 1057 N ARG A 67 -8.088 -8.449 6.984 1.00 0.00 N ATOM 1058 CA ARG A 67 -9.081 -7.854 6.105 1.00 0.00 C ATOM 1059 C ARG A 67 -8.806 -8.291 4.679 1.00 0.00 C ATOM 1060 O ARG A 67 -9.689 -8.283 3.808 1.00 0.00 O ATOM 1061 CB ARG A 67 -9.005 -6.334 6.223 1.00 0.00 C ATOM 1062 CG ARG A 67 -9.337 -5.827 7.616 1.00 0.00 C ATOM 1063 CD ARG A 67 -8.949 -4.373 7.805 1.00 0.00 C ATOM 1064 NE ARG A 67 -7.488 -4.182 7.829 1.00 0.00 N ATOM 1065 CZ ARG A 67 -6.861 -3.054 8.231 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -7.549 -1.975 8.576 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -5.548 -3.019 8.286 1.00 0.00 N ATOM 0 H ARG A 67 -7.247 -7.884 7.102 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.082 -8.180 6.388 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.002 -6.004 5.952 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.692 -5.885 5.506 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.406 -5.942 7.798 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.820 -6.438 8.356 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.378 -3.777 6.999 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.377 -4.003 8.737 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.906 -4.960 7.519 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.568 -1.987 8.541 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.059 -1.132 8.877 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.005 -3.842 8.026 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.073 -2.169 8.589 1.00 0.00 H new ATOM 1081 N PHE A 68 -7.588 -8.689 4.457 1.00 0.00 N ATOM 1082 CA PHE A 68 -7.141 -9.153 3.174 1.00 0.00 C ATOM 1083 C PHE A 68 -7.232 -10.653 3.066 1.00 0.00 C ATOM 1084 O PHE A 68 -7.165 -11.374 4.076 1.00 0.00 O ATOM 1085 CB PHE A 68 -5.714 -8.722 2.925 1.00 0.00 C ATOM 1086 CG PHE A 68 -5.585 -7.599 1.960 1.00 0.00 C ATOM 1087 CD1 PHE A 68 -5.452 -7.867 0.612 1.00 0.00 C ATOM 1088 CD2 PHE A 68 -5.584 -6.287 2.382 1.00 0.00 C ATOM 1089 CE1 PHE A 68 -5.320 -6.856 -0.295 1.00 0.00 C ATOM 1090 CE2 PHE A 68 -5.454 -5.263 1.471 1.00 0.00 C ATOM 1091 CZ PHE A 68 -5.320 -5.554 0.128 1.00 0.00 C ATOM 0 H PHE A 68 -6.863 -8.701 5.175 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.795 -8.710 2.423 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.263 -8.428 3.873 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.147 -9.575 2.553 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.452 -8.892 0.271 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.686 -6.061 3.433 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.216 -7.083 -1.346 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.457 -4.236 1.806 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.215 -4.754 -0.590 1.00 0.00 H new ATOM 1101 N LEU A 69 -7.384 -11.126 1.856 1.00 0.00 N ATOM 1102 CA LEU A 69 -7.422 -12.530 1.599 1.00 0.00 C ATOM 1103 C LEU A 69 -6.816 -12.818 0.250 1.00 0.00 C ATOM 1104 O LEU A 69 -6.952 -12.006 -0.680 1.00 0.00 O ATOM 1105 CB LEU A 69 -8.860 -13.058 1.569 1.00 0.00 C ATOM 1106 CG LEU A 69 -8.980 -14.575 1.381 1.00 0.00 C ATOM 1107 CD1 LEU A 69 -8.439 -15.332 2.578 1.00 0.00 C ATOM 1108 CD2 LEU A 69 -10.388 -14.974 1.079 1.00 0.00 C ATOM 0 H LEU A 69 -7.484 -10.543 1.025 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.866 -13.018 2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.354 -12.780 2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.398 -12.561 0.762 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.366 -14.845 0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.541 -16.404 2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.387 -15.086 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.000 -15.051 3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.440 -16.055 0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.036 -14.674 1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.716 -14.484 0.162 1.00 0.00 H new ATOM 1120 N ALA A 70 -6.130 -13.936 0.148 1.00 0.00 N ATOM 1121 CA ALA A 70 -5.701 -14.426 -1.125 1.00 0.00 C ATOM 1122 C ALA A 70 -6.876 -15.142 -1.701 1.00 0.00 C ATOM 1123 O ALA A 70 -7.307 -16.165 -1.163 1.00 0.00 O ATOM 1124 CB ALA A 70 -4.533 -15.401 -1.001 1.00 0.00 C ATOM 0 H ALA A 70 -5.861 -14.518 0.941 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.358 -13.600 -1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.241 -15.747 -1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.689 -14.899 -0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.834 -16.254 -0.393 1.00 0.00 H new ATOM 1130 N LEU A 71 -7.435 -14.586 -2.719 1.00 0.00 N ATOM 1131 CA LEU A 71 -8.546 -15.176 -3.407 1.00 0.00 C ATOM 1132 C LEU A 71 -8.089 -16.424 -4.180 1.00 0.00 C ATOM 1133 O LEU A 71 -6.922 -16.835 -4.061 1.00 0.00 O ATOM 1134 CB LEU A 71 -9.171 -14.110 -4.292 1.00 0.00 C ATOM 1135 CG LEU A 71 -9.817 -12.963 -3.513 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -9.897 -11.743 -4.355 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -11.208 -13.341 -3.106 1.00 0.00 C ATOM 0 H LEU A 71 -7.133 -13.693 -3.109 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.308 -15.523 -2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.404 -13.703 -4.951 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.924 -14.575 -4.928 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.204 -12.766 -2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.359 -10.937 -3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.894 -11.444 -4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.497 -11.951 -5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.661 -12.519 -2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.803 -13.551 -3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.174 -14.229 -2.475 1.00 0.00 H new ATOM 1149 N SER A 72 -8.984 -17.008 -4.952 1.00 0.00 N ATOM 1150 CA SER A 72 -8.774 -18.283 -5.666 1.00 0.00 C ATOM 1151 C SER A 72 -7.385 -18.463 -6.333 1.00 0.00 C ATOM 1152 O SER A 72 -6.833 -19.573 -6.343 1.00 0.00 O ATOM 1153 CB SER A 72 -9.888 -18.460 -6.702 1.00 0.00 C ATOM 1154 OG SER A 72 -10.018 -17.288 -7.522 1.00 0.00 O ATOM 0 H SER A 72 -9.909 -16.609 -5.114 1.00 0.00 H new ATOM 0 HA SER A 72 -8.806 -19.059 -4.901 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.672 -19.325 -7.329 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.832 -18.661 -6.196 1.00 0.00 H new ATOM 0 HG SER A 72 -9.294 -17.269 -8.182 1.00 0.00 H new ATOM 1160 N ASP A 73 -6.813 -17.388 -6.836 1.00 0.00 N ATOM 1161 CA ASP A 73 -5.584 -17.482 -7.617 1.00 0.00 C ATOM 1162 C ASP A 73 -4.434 -16.790 -6.938 1.00 0.00 C ATOM 1163 O ASP A 73 -3.445 -16.467 -7.589 1.00 0.00 O ATOM 1164 CB ASP A 73 -5.780 -16.845 -8.998 1.00 0.00 C ATOM 1165 CG ASP A 73 -6.977 -17.352 -9.755 1.00 0.00 C ATOM 1166 OD1 ASP A 73 -8.106 -16.863 -9.505 1.00 0.00 O ATOM 1167 OD2 ASP A 73 -6.819 -18.210 -10.639 1.00 0.00 O ATOM 0 H ASP A 73 -7.173 -16.440 -6.722 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.352 -18.543 -7.714 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.873 -15.766 -8.876 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.886 -17.022 -9.596 1.00 0.00 H new ATOM 1172 N GLN A 74 -4.563 -16.534 -5.635 1.00 0.00 N ATOM 1173 CA GLN A 74 -3.525 -15.813 -4.830 1.00 0.00 C ATOM 1174 C GLN A 74 -3.496 -14.367 -5.209 1.00 0.00 C ATOM 1175 O GLN A 74 -2.634 -13.591 -4.815 1.00 0.00 O ATOM 1176 CB GLN A 74 -2.130 -16.485 -4.877 1.00 0.00 C ATOM 1177 CG GLN A 74 -2.010 -17.746 -4.005 1.00 0.00 C ATOM 1178 CD GLN A 74 -3.229 -18.628 -4.101 1.00 0.00 C ATOM 1179 OE1 GLN A 74 -4.165 -18.517 -3.295 1.00 0.00 O ATOM 1180 NE2 GLN A 74 -3.281 -19.440 -5.098 1.00 0.00 N ATOM 0 H GLN A 74 -5.380 -16.812 -5.092 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.815 -15.880 -3.781 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.900 -16.747 -5.910 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.380 -15.762 -4.557 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.130 -18.313 -4.309 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.857 -17.453 -2.966 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.493 -19.507 -5.743 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -4.110 -20.016 -5.244 1.00 0.00 H new ATOM 1189 N THR A 75 -4.479 -14.045 -5.979 1.00 0.00 N ATOM 1190 CA THR A 75 -4.808 -12.727 -6.345 1.00 0.00 C ATOM 1191 C THR A 75 -5.412 -12.112 -5.096 1.00 0.00 C ATOM 1192 O THR A 75 -6.171 -12.785 -4.379 1.00 0.00 O ATOM 1193 CB THR A 75 -5.831 -12.804 -7.487 1.00 0.00 C ATOM 1194 OG1 THR A 75 -5.245 -13.561 -8.567 1.00 0.00 O ATOM 1195 CG2 THR A 75 -6.232 -11.436 -7.993 1.00 0.00 C ATOM 0 H THR A 75 -5.104 -14.740 -6.388 1.00 0.00 H new ATOM 0 HA THR A 75 -3.961 -12.134 -6.691 1.00 0.00 H new ATOM 0 HB THR A 75 -6.733 -13.284 -7.108 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.906 -13.678 -9.281 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.957 -11.545 -8.800 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.678 -10.863 -7.180 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.351 -10.913 -8.365 1.00 0.00 H new ATOM 1203 N TRP A 76 -5.092 -10.904 -4.804 1.00 0.00 N ATOM 1204 CA TRP A 76 -5.507 -10.368 -3.566 1.00 0.00 C ATOM 1205 C TRP A 76 -6.779 -9.614 -3.708 1.00 0.00 C ATOM 1206 O TRP A 76 -7.177 -9.206 -4.816 1.00 0.00 O ATOM 1207 CB TRP A 76 -4.414 -9.507 -2.940 1.00 0.00 C ATOM 1208 CG TRP A 76 -3.156 -10.266 -2.632 1.00 0.00 C ATOM 1209 CD1 TRP A 76 -2.025 -10.310 -3.382 1.00 0.00 C ATOM 1210 CD2 TRP A 76 -2.916 -11.105 -1.495 1.00 0.00 C ATOM 1211 NE1 TRP A 76 -1.086 -11.109 -2.773 1.00 0.00 N ATOM 1212 CE2 TRP A 76 -1.611 -11.610 -1.614 1.00 0.00 C ATOM 1213 CE3 TRP A 76 -3.675 -11.473 -0.386 1.00 0.00 C ATOM 1214 CZ2 TRP A 76 -1.050 -12.460 -0.662 1.00 0.00 C ATOM 1215 CZ3 TRP A 76 -3.119 -12.319 0.556 1.00 0.00 C ATOM 1216 CH2 TRP A 76 -1.818 -12.802 0.411 1.00 0.00 C ATOM 0 H TRP A 76 -4.551 -10.277 -5.399 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.693 -11.202 -2.889 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.177 -8.686 -3.617 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.795 -9.062 -2.021 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -1.884 -9.793 -4.320 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -0.149 -11.298 -3.129 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.682 -11.103 -0.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -0.043 -12.834 -0.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -3.701 -12.611 1.418 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.411 -13.460 1.164 1.00 0.00 H new ATOM 1227 N GLY A 77 -7.442 -9.501 -2.617 1.00 0.00 N ATOM 1228 CA GLY A 77 -8.639 -8.794 -2.535 1.00 0.00 C ATOM 1229 C GLY A 77 -9.048 -8.730 -1.119 1.00 0.00 C ATOM 1230 O GLY A 77 -8.277 -9.127 -0.225 1.00 0.00 O ATOM 0 H GLY A 77 -7.146 -9.917 -1.734 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.514 -7.789 -2.939 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.410 -9.284 -3.130 1.00 0.00 H new ATOM 1234 N LEU A 78 -10.226 -8.305 -0.889 1.00 0.00 N ATOM 1235 CA LEU A 78 -10.683 -8.130 0.441 1.00 0.00 C ATOM 1236 C LEU A 78 -11.597 -9.228 0.840 1.00 0.00 C ATOM 1237 O LEU A 78 -12.468 -9.654 0.083 1.00 0.00 O ATOM 1238 CB LEU A 78 -11.317 -6.766 0.644 1.00 0.00 C ATOM 1239 CG LEU A 78 -10.380 -5.581 0.431 1.00 0.00 C ATOM 1240 CD1 LEU A 78 -11.107 -4.282 0.651 1.00 0.00 C ATOM 1241 CD2 LEU A 78 -9.168 -5.676 1.345 1.00 0.00 C ATOM 0 H LEU A 78 -10.905 -8.067 -1.612 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.813 -8.173 1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.161 -6.669 -0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.718 -6.715 1.656 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.030 -5.609 -0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.421 -3.450 0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.937 -4.206 -0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.491 -4.248 1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.515 -4.820 1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.496 -5.681 2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.623 -6.596 1.132 1.00 0.00 H new ATOM 1253 N ARG A 79 -11.385 -9.681 2.027 1.00 0.00 N ATOM 1254 CA ARG A 79 -12.125 -10.757 2.613 1.00 0.00 C ATOM 1255 C ARG A 79 -13.564 -10.318 2.916 1.00 0.00 C ATOM 1256 O ARG A 79 -14.505 -11.101 2.820 1.00 0.00 O ATOM 1257 CB ARG A 79 -11.408 -11.149 3.902 1.00 0.00 C ATOM 1258 CG ARG A 79 -12.143 -12.139 4.735 1.00 0.00 C ATOM 1259 CD ARG A 79 -11.470 -12.351 6.055 1.00 0.00 C ATOM 1260 NE ARG A 79 -12.415 -12.919 7.004 1.00 0.00 N ATOM 1261 CZ ARG A 79 -12.646 -12.406 8.197 1.00 0.00 C ATOM 1262 NH1 ARG A 79 -11.773 -11.556 8.747 1.00 0.00 N ATOM 1263 NH2 ARG A 79 -13.728 -12.766 8.863 1.00 0.00 N ATOM 0 H ARG A 79 -10.666 -9.302 2.643 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.178 -11.603 1.928 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.430 -11.559 3.650 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -11.234 -10.251 4.495 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.164 -11.793 4.897 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.208 -13.088 4.202 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -10.616 -13.017 5.935 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.085 -11.404 6.434 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.926 -13.759 6.732 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -10.923 -11.301 8.244 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -11.957 -11.162 9.670 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -14.379 -13.437 8.454 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.913 -12.373 9.786 1.00 0.00 H new ATOM 1277 N SER A 80 -13.709 -9.049 3.198 1.00 0.00 N ATOM 1278 CA SER A 80 -14.949 -8.457 3.651 1.00 0.00 C ATOM 1279 C SER A 80 -16.072 -8.425 2.592 1.00 0.00 C ATOM 1280 O SER A 80 -17.223 -8.089 2.913 1.00 0.00 O ATOM 1281 CB SER A 80 -14.640 -7.063 4.132 1.00 0.00 C ATOM 1282 OG SER A 80 -13.524 -7.096 5.016 1.00 0.00 O ATOM 0 H SER A 80 -12.947 -8.376 3.118 1.00 0.00 H new ATOM 0 HA SER A 80 -15.342 -9.087 4.449 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.424 -6.415 3.283 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.507 -6.643 4.641 1.00 0.00 H new ATOM 0 HG SER A 80 -13.325 -6.188 5.325 1.00 0.00 H new ATOM 1288 N TRP A 81 -15.761 -8.772 1.357 1.00 0.00 N ATOM 1289 CA TRP A 81 -16.772 -8.752 0.315 1.00 0.00 C ATOM 1290 C TRP A 81 -17.597 -10.027 0.332 1.00 0.00 C ATOM 1291 O TRP A 81 -18.703 -10.068 -0.233 1.00 0.00 O ATOM 1292 CB TRP A 81 -16.162 -8.611 -1.078 1.00 0.00 C ATOM 1293 CG TRP A 81 -15.331 -7.392 -1.322 1.00 0.00 C ATOM 1294 CD1 TRP A 81 -15.575 -6.107 -0.909 1.00 0.00 C ATOM 1295 CD2 TRP A 81 -14.145 -7.345 -2.114 1.00 0.00 C ATOM 1296 NE1 TRP A 81 -14.587 -5.271 -1.375 1.00 0.00 N ATOM 1297 CE2 TRP A 81 -13.701 -6.011 -2.126 1.00 0.00 C ATOM 1298 CE3 TRP A 81 -13.406 -8.316 -2.810 1.00 0.00 C ATOM 1299 CZ2 TRP A 81 -12.560 -5.622 -2.810 1.00 0.00 C ATOM 1300 CZ3 TRP A 81 -12.276 -7.923 -3.488 1.00 0.00 C ATOM 1301 CH2 TRP A 81 -11.862 -6.591 -3.487 1.00 0.00 C ATOM 0 H TRP A 81 -14.833 -9.067 1.053 1.00 0.00 H new ATOM 0 HA TRP A 81 -17.401 -7.886 0.524 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -15.545 -9.489 -1.271 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -16.971 -8.624 -1.808 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -16.417 -5.798 -0.308 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -14.521 -4.269 -1.194 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.719 -9.350 -2.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -12.232 -4.593 -2.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -11.700 -8.658 -4.030 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -10.971 -6.315 -4.032 1.00 0.00 H new ATOM 1312 N TYR A 82 -17.074 -11.064 0.963 1.00 0.00 N ATOM 1313 CA TYR A 82 -17.706 -12.364 0.924 1.00 0.00 C ATOM 1314 C TYR A 82 -17.799 -12.934 2.355 1.00 0.00 C ATOM 1315 O TYR A 82 -17.209 -12.379 3.294 1.00 0.00 O ATOM 1316 CB TYR A 82 -16.853 -13.328 0.075 1.00 0.00 C ATOM 1317 CG TYR A 82 -16.345 -12.796 -1.256 1.00 0.00 C ATOM 1318 CD1 TYR A 82 -15.111 -12.169 -1.327 1.00 0.00 C ATOM 1319 CD2 TYR A 82 -17.057 -12.964 -2.431 1.00 0.00 C ATOM 1320 CE1 TYR A 82 -14.594 -11.722 -2.506 1.00 0.00 C ATOM 1321 CE2 TYR A 82 -16.550 -12.507 -3.634 1.00 0.00 C ATOM 1322 CZ TYR A 82 -15.313 -11.887 -3.665 1.00 0.00 C ATOM 1323 OH TYR A 82 -14.797 -11.440 -4.862 1.00 0.00 O ATOM 0 H TYR A 82 -16.213 -11.027 1.508 1.00 0.00 H new ATOM 0 HA TYR A 82 -18.701 -12.262 0.492 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -15.993 -13.635 0.670 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -17.443 -14.224 -0.119 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.542 -12.030 -0.420 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -18.018 -13.457 -2.408 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -13.627 -11.242 -2.529 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -17.117 -12.633 -4.545 1.00 0.00 H new ATOM 0 HH TYR A 82 -15.430 -11.635 -5.584 1.00 0.00 H new