USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 518 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 ASN : amide:sc= 0.743 X(o=1.5,f=1.9) USER MOD Set 1.2: A 42 THR OG1 : rot 180:sc= 0.807 USER MOD Single : A 2 THR OG1 : rot -26:sc= 0.428 USER MOD Single : A 4 LYS NZ :NH3+ -163:sc= -0.0355 (180deg=-0.248) USER MOD Single : A 19 ASN : amide:sc= 0.0539 X(o=0.054,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.677 K(o=-0.68,f=-1.6) USER MOD Single : A 27 LYS NZ :NH3+ 141:sc= 1.81 (180deg=0.312) USER MOD Single : A 33 ASN : amide:sc= 0.0451 X(o=0.045,f=-0.13) USER MOD Single : A 44 THR OG1 : rot -101:sc= 1.23 USER MOD Single : A 47 TYR OH : rot 165:sc= -0.211 USER MOD Single : A 48 ASN : amide:sc= -0.0765 K(o=-0.076,f=-11!) USER MOD Single : A 50 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.12) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0604 USER MOD Single : A 58 LYS NZ :NH3+ 173:sc= -0.336 (180deg=-0.561) USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000805) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -141:sc= 1.09 (180deg=-0.000574) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 168:sc= 1.15 (180deg=-0.0568) USER MOD ----------------------------------------------------------------- ATOM 19 N THR A 2 -8.362 10.386 8.247 1.00 10.00 N ATOM 20 CA THR A 2 -7.419 9.695 7.394 1.00 10.00 C ATOM 21 C THR A 2 -7.622 10.272 5.990 1.00 10.00 C ATOM 22 O THR A 2 -8.517 11.102 5.801 1.00 10.00 O ATOM 23 CB THR A 2 -7.643 8.176 7.483 1.00 10.00 C ATOM 24 OG1 THR A 2 -9.015 7.866 7.651 1.00 10.00 O ATOM 25 CG2 THR A 2 -6.888 7.593 8.681 1.00 10.00 C ATOM 0 HA THR A 2 -6.382 9.844 7.695 1.00 10.00 H new ATOM 0 HB THR A 2 -7.278 7.747 6.550 1.00 10.00 H new ATOM 0 HG1 THR A 2 -9.469 8.617 8.087 1.00 10.00 H new ATOM 0 HG21 THR A 2 -7.057 6.517 8.729 1.00 10.00 H new ATOM 0 HG22 THR A 2 -5.821 7.788 8.569 1.00 10.00 H new ATOM 0 HG23 THR A 2 -7.247 8.058 9.599 1.00 10.00 H new ATOM 33 N GLU A 3 -6.729 9.917 5.069 1.00 10.00 N ATOM 34 CA GLU A 3 -6.561 10.498 3.754 1.00 10.00 C ATOM 35 C GLU A 3 -6.431 9.336 2.774 1.00 10.00 C ATOM 36 O GLU A 3 -5.828 8.311 3.107 1.00 10.00 O ATOM 37 CB GLU A 3 -5.283 11.350 3.784 1.00 10.00 C ATOM 38 CG GLU A 3 -5.485 12.756 3.221 1.00 10.00 C ATOM 39 CD GLU A 3 -4.375 13.676 3.718 1.00 10.00 C ATOM 40 OE1 GLU A 3 -4.436 14.024 4.920 1.00 10.00 O ATOM 41 OE2 GLU A 3 -3.463 13.971 2.919 1.00 10.00 O ATOM 0 H GLU A 3 -6.062 9.164 5.241 1.00 10.00 H new ATOM 0 HA GLU A 3 -7.396 11.132 3.456 1.00 10.00 H new ATOM 0 HB2 GLU A 3 -4.928 11.425 4.812 1.00 10.00 H new ATOM 0 HB3 GLU A 3 -4.504 10.845 3.213 1.00 10.00 H new ATOM 0 HG2 GLU A 3 -5.484 12.725 2.131 1.00 10.00 H new ATOM 0 HG3 GLU A 3 -6.456 13.144 3.528 1.00 10.00 H new ATOM 48 N LYS A 4 -6.991 9.483 1.574 1.00 10.00 N ATOM 49 CA LYS A 4 -7.012 8.440 0.583 1.00 10.00 C ATOM 50 C LYS A 4 -5.743 8.575 -0.254 1.00 10.00 C ATOM 51 O LYS A 4 -5.305 9.686 -0.527 1.00 10.00 O ATOM 52 CB LYS A 4 -8.265 8.660 -0.263 1.00 10.00 C ATOM 53 CG LYS A 4 -8.589 7.466 -1.155 1.00 10.00 C ATOM 54 CD LYS A 4 -9.330 6.356 -0.390 1.00 10.00 C ATOM 55 CE LYS A 4 -9.979 5.379 -1.384 1.00 10.00 C ATOM 56 NZ LYS A 4 -11.116 5.967 -2.135 1.00 10.00 N ATOM 0 H LYS A 4 -7.445 10.345 1.272 1.00 10.00 H new ATOM 0 HA LYS A 4 -7.039 7.440 1.015 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -9.112 8.858 0.394 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -8.129 9.546 -0.884 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -9.200 7.797 -1.995 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -7.665 7.064 -1.572 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -8.634 5.822 0.257 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -10.093 6.793 0.254 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -9.224 5.038 -2.092 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -10.328 4.500 -0.842 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -11.682 5.205 -2.561 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -11.712 6.520 -1.486 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -10.752 6.589 -2.885 1.00 10.00 H new ATOM 70 N ALA A 5 -5.155 7.456 -0.667 1.00 10.00 N ATOM 71 CA ALA A 5 -3.973 7.438 -1.509 1.00 10.00 C ATOM 72 C ALA A 5 -4.018 6.215 -2.422 1.00 10.00 C ATOM 73 O ALA A 5 -4.557 5.182 -2.025 1.00 10.00 O ATOM 74 CB ALA A 5 -2.740 7.432 -0.610 1.00 10.00 C ATOM 0 H ALA A 5 -5.494 6.526 -0.420 1.00 10.00 H new ATOM 0 HA ALA A 5 -3.933 8.322 -2.146 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -1.841 7.418 -1.226 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -2.740 8.326 0.013 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -2.758 6.547 0.026 1.00 10.00 H new ATOM 80 N GLU A 6 -3.459 6.328 -3.632 1.00 10.00 N ATOM 81 CA GLU A 6 -3.286 5.231 -4.561 1.00 10.00 C ATOM 82 C GLU A 6 -1.848 5.186 -5.011 1.00 10.00 C ATOM 83 O GLU A 6 -1.170 6.216 -5.067 1.00 10.00 O ATOM 84 CB GLU A 6 -4.131 5.410 -5.812 1.00 10.00 C ATOM 85 CG GLU A 6 -5.560 4.949 -5.559 1.00 10.00 C ATOM 86 CD GLU A 6 -6.051 3.855 -6.506 1.00 10.00 C ATOM 87 OE1 GLU A 6 -5.643 3.876 -7.686 1.00 10.00 O ATOM 88 OE2 GLU A 6 -6.862 3.027 -6.029 1.00 10.00 O ATOM 0 H GLU A 6 -3.108 7.215 -3.992 1.00 10.00 H new ATOM 0 HA GLU A 6 -3.586 4.320 -4.044 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -4.128 6.458 -6.113 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -3.699 4.840 -6.635 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -5.635 4.585 -4.534 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -6.225 5.808 -5.641 1.00 10.00 H new ATOM 95 N PHE A 7 -1.440 3.972 -5.361 1.00 10.00 N ATOM 96 CA PHE A 7 -0.063 3.631 -5.644 1.00 10.00 C ATOM 97 C PHE A 7 -0.036 2.619 -6.785 1.00 10.00 C ATOM 98 O PHE A 7 -0.773 1.629 -6.738 1.00 10.00 O ATOM 99 CB PHE A 7 0.612 3.069 -4.383 1.00 10.00 C ATOM 100 CG PHE A 7 0.317 3.783 -3.080 1.00 10.00 C ATOM 101 CD1 PHE A 7 -0.935 3.602 -2.475 1.00 10.00 C ATOM 102 CD2 PHE A 7 1.292 4.569 -2.440 1.00 10.00 C ATOM 103 CE1 PHE A 7 -1.284 4.338 -1.337 1.00 10.00 C ATOM 104 CE2 PHE A 7 0.969 5.234 -1.243 1.00 10.00 C ATOM 105 CZ PHE A 7 -0.322 5.137 -0.702 1.00 10.00 C ATOM 0 H PHE A 7 -2.078 3.182 -5.456 1.00 10.00 H new ATOM 0 HA PHE A 7 0.492 4.520 -5.944 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.316 2.026 -4.274 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.691 3.079 -4.541 1.00 10.00 H new ATOM 0 HD1 PHE A 7 -1.634 2.891 -2.890 1.00 10.00 H new ATOM 0 HD2 PHE A 7 2.281 4.661 -2.864 1.00 10.00 H new ATOM 0 HE1 PHE A 7 -2.291 4.291 -0.949 1.00 10.00 H new ATOM 0 HE2 PHE A 7 1.720 5.823 -0.737 1.00 10.00 H new ATOM 0 HZ PHE A 7 -0.574 5.675 0.200 1.00 10.00 H new ATOM 115 N ASP A 8 0.808 2.872 -7.789 1.00 10.00 N ATOM 116 CA ASP A 8 0.955 2.021 -8.956 1.00 10.00 C ATOM 117 C ASP A 8 2.105 1.060 -8.660 1.00 10.00 C ATOM 118 O ASP A 8 3.092 1.445 -8.026 1.00 10.00 O ATOM 119 CB ASP A 8 1.232 2.890 -10.197 1.00 10.00 C ATOM 120 CG ASP A 8 0.033 3.093 -11.123 1.00 10.00 C ATOM 121 OD1 ASP A 8 -1.109 2.708 -10.784 1.00 10.00 O ATOM 122 OD2 ASP A 8 0.206 3.755 -12.172 1.00 10.00 O ATOM 0 H ASP A 8 1.416 3.691 -7.807 1.00 10.00 H new ATOM 0 HA ASP A 8 0.049 1.453 -9.165 1.00 10.00 H new ATOM 0 HB2 ASP A 8 1.586 3.866 -9.867 1.00 10.00 H new ATOM 0 HB3 ASP A 8 2.040 2.434 -10.768 1.00 10.00 H new ATOM 127 N ILE A 9 1.927 -0.207 -9.036 1.00 10.00 N ATOM 128 CA ILE A 9 2.759 -1.316 -8.598 1.00 10.00 C ATOM 129 C ILE A 9 3.680 -1.741 -9.739 1.00 10.00 C ATOM 130 O ILE A 9 3.245 -1.785 -10.887 1.00 10.00 O ATOM 131 CB ILE A 9 1.862 -2.491 -8.159 1.00 10.00 C ATOM 132 CG1 ILE A 9 0.582 -2.064 -7.424 1.00 10.00 C ATOM 133 CG2 ILE A 9 2.653 -3.424 -7.246 1.00 10.00 C ATOM 134 CD1 ILE A 9 0.863 -1.160 -6.234 1.00 10.00 C ATOM 0 H ILE A 9 1.180 -0.492 -9.670 1.00 10.00 H new ATOM 0 HA ILE A 9 3.370 -1.008 -7.750 1.00 10.00 H new ATOM 0 HB ILE A 9 1.552 -2.988 -9.078 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -0.077 -1.546 -8.121 1.00 10.00 H new ATOM 0 HG13 ILE A 9 0.050 -2.952 -7.083 1.00 10.00 H new ATOM 0 HG21 ILE A 9 2.018 -4.254 -6.936 1.00 10.00 H new ATOM 0 HG22 ILE A 9 3.519 -3.810 -7.783 1.00 10.00 H new ATOM 0 HG23 ILE A 9 2.987 -2.875 -6.366 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -0.077 -0.889 -5.753 1.00 10.00 H new ATOM 0 HD12 ILE A 9 1.498 -1.685 -5.520 1.00 10.00 H new ATOM 0 HD13 ILE A 9 1.369 -0.257 -6.575 1.00 10.00 H new ATOM 146 N GLU A 10 4.931 -2.090 -9.426 1.00 10.00 N ATOM 147 CA GLU A 10 5.858 -2.653 -10.382 1.00 10.00 C ATOM 148 C GLU A 10 6.003 -4.124 -10.040 1.00 10.00 C ATOM 149 O GLU A 10 6.959 -4.524 -9.375 1.00 10.00 O ATOM 150 CB GLU A 10 7.192 -1.906 -10.295 1.00 10.00 C ATOM 151 CG GLU A 10 7.095 -0.453 -10.789 1.00 10.00 C ATOM 152 CD GLU A 10 8.147 -0.157 -11.848 1.00 10.00 C ATOM 153 OE1 GLU A 10 7.961 -0.621 -12.990 1.00 10.00 O ATOM 154 OE2 GLU A 10 9.136 0.515 -11.474 1.00 10.00 O ATOM 0 H GLU A 10 5.322 -1.984 -8.490 1.00 10.00 H new ATOM 0 HA GLU A 10 5.504 -2.553 -11.408 1.00 10.00 H new ATOM 0 HB2 GLU A 10 7.539 -1.911 -9.262 1.00 10.00 H new ATOM 0 HB3 GLU A 10 7.939 -2.436 -10.885 1.00 10.00 H new ATOM 0 HG2 GLU A 10 6.102 -0.272 -11.200 1.00 10.00 H new ATOM 0 HG3 GLU A 10 7.221 0.228 -9.948 1.00 10.00 H new ATOM 251 N ASN A 19 -2.452 -10.056 0.164 1.00 10.00 N ATOM 252 CA ASN A 19 -2.457 -10.634 1.509 1.00 10.00 C ATOM 253 C ASN A 19 -1.242 -10.158 2.305 1.00 10.00 C ATOM 254 O ASN A 19 -1.351 -9.825 3.483 1.00 10.00 O ATOM 255 CB ASN A 19 -2.490 -12.166 1.479 1.00 10.00 C ATOM 256 CG ASN A 19 -3.888 -12.716 1.230 1.00 10.00 C ATOM 257 OD1 ASN A 19 -4.422 -13.447 2.056 1.00 10.00 O ATOM 258 ND2 ASN A 19 -4.492 -12.374 0.098 1.00 10.00 N ATOM 0 HA ASN A 19 -3.368 -10.290 1.999 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -1.818 -12.525 0.700 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -2.115 -12.553 2.427 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -5.429 -12.722 -0.105 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -4.019 -11.763 -0.568 1.00 10.00 H new ATOM 265 N ARG A 20 -0.068 -10.152 1.672 1.00 10.00 N ATOM 266 CA ARG A 20 1.171 -9.750 2.299 1.00 10.00 C ATOM 267 C ARG A 20 1.194 -8.222 2.431 1.00 10.00 C ATOM 268 O ARG A 20 1.539 -7.712 3.499 1.00 10.00 O ATOM 269 CB ARG A 20 2.351 -10.314 1.490 1.00 10.00 C ATOM 270 CG ARG A 20 3.559 -10.612 2.389 1.00 10.00 C ATOM 271 CD ARG A 20 3.527 -12.053 2.920 1.00 10.00 C ATOM 272 NE ARG A 20 3.825 -13.032 1.859 1.00 10.00 N ATOM 273 CZ ARG A 20 5.050 -13.320 1.382 1.00 10.00 C ATOM 274 NH1 ARG A 20 6.124 -12.693 1.874 1.00 10.00 N ATOM 275 NH2 ARG A 20 5.196 -14.231 0.413 1.00 10.00 N ATOM 0 H ARG A 20 0.040 -10.432 0.697 1.00 10.00 H new ATOM 0 HA ARG A 20 1.257 -10.155 3.307 1.00 10.00 H new ATOM 0 HB2 ARG A 20 2.041 -11.227 0.981 1.00 10.00 H new ATOM 0 HB3 ARG A 20 2.638 -9.600 0.718 1.00 10.00 H new ATOM 0 HG2 ARG A 20 4.479 -10.451 1.828 1.00 10.00 H new ATOM 0 HG3 ARG A 20 3.570 -9.915 3.227 1.00 10.00 H new ATOM 0 HD2 ARG A 20 4.252 -12.159 3.727 1.00 10.00 H new ATOM 0 HD3 ARG A 20 2.545 -12.263 3.343 1.00 10.00 H new ATOM 0 HE ARG A 20 3.036 -13.534 1.452 1.00 10.00 H new ATOM 0 HH11 ARG A 20 6.015 -11.996 2.611 1.00 10.00 H new ATOM 0 HH12 ARG A 20 7.052 -12.912 1.512 1.00 10.00 H new ATOM 0 HH21 ARG A 20 4.378 -14.709 0.035 1.00 10.00 H new ATOM 0 HH22 ARG A 20 6.125 -14.448 0.053 1.00 10.00 H new ATOM 289 N ILE A 21 0.794 -7.503 1.367 1.00 10.00 N ATOM 290 CA ILE A 21 0.631 -6.053 1.375 1.00 10.00 C ATOM 291 C ILE A 21 -0.093 -5.646 2.648 1.00 10.00 C ATOM 292 O ILE A 21 0.491 -4.938 3.452 1.00 10.00 O ATOM 293 CB ILE A 21 -0.164 -5.517 0.169 1.00 10.00 C ATOM 294 CG1 ILE A 21 0.427 -5.811 -1.216 1.00 10.00 C ATOM 295 CG2 ILE A 21 -0.365 -4.007 0.331 1.00 10.00 C ATOM 296 CD1 ILE A 21 1.545 -4.872 -1.675 1.00 10.00 C ATOM 0 H ILE A 21 0.573 -7.928 0.466 1.00 10.00 H new ATOM 0 HA ILE A 21 1.631 -5.624 1.319 1.00 10.00 H new ATOM 0 HB ILE A 21 -1.107 -6.063 0.186 1.00 10.00 H new ATOM 0 HG12 ILE A 21 0.811 -6.831 -1.217 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -0.378 -5.773 -1.950 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -0.927 -3.621 -0.520 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.917 -3.810 1.250 1.00 10.00 H new ATOM 0 HG23 ILE A 21 0.606 -3.514 0.378 1.00 10.00 H new ATOM 0 HD11 ILE A 21 1.888 -5.172 -2.665 1.00 10.00 H new ATOM 0 HD12 ILE A 21 1.168 -3.850 -1.715 1.00 10.00 H new ATOM 0 HD13 ILE A 21 2.376 -4.925 -0.972 1.00 10.00 H new ATOM 308 N GLU A 22 -1.332 -6.102 2.850 1.00 10.00 N ATOM 309 CA GLU A 22 -2.149 -5.692 3.982 1.00 10.00 C ATOM 310 C GLU A 22 -1.441 -5.922 5.320 1.00 10.00 C ATOM 311 O GLU A 22 -1.585 -5.118 6.226 1.00 10.00 O ATOM 312 CB GLU A 22 -3.495 -6.414 3.943 1.00 10.00 C ATOM 313 CG GLU A 22 -4.384 -5.849 2.827 1.00 10.00 C ATOM 314 CD GLU A 22 -5.779 -6.453 2.887 1.00 10.00 C ATOM 315 OE1 GLU A 22 -6.430 -6.252 3.935 1.00 10.00 O ATOM 316 OE2 GLU A 22 -6.151 -7.129 1.905 1.00 10.00 O ATOM 0 H GLU A 22 -1.793 -6.767 2.229 1.00 10.00 H new ATOM 0 HA GLU A 22 -2.319 -4.619 3.899 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.336 -7.480 3.783 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -3.998 -6.307 4.904 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -4.448 -4.765 2.921 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -3.934 -6.059 1.857 1.00 10.00 H new ATOM 323 N LYS A 23 -0.640 -6.977 5.467 1.00 10.00 N ATOM 324 CA LYS A 23 0.118 -7.212 6.688 1.00 10.00 C ATOM 325 C LYS A 23 1.198 -6.137 6.830 1.00 10.00 C ATOM 326 O LYS A 23 1.408 -5.598 7.914 1.00 10.00 O ATOM 327 CB LYS A 23 0.706 -8.638 6.701 1.00 10.00 C ATOM 328 CG LYS A 23 -0.054 -9.569 7.662 1.00 10.00 C ATOM 329 CD LYS A 23 -1.492 -9.870 7.205 1.00 10.00 C ATOM 330 CE LYS A 23 -1.576 -11.056 6.232 1.00 10.00 C ATOM 331 NZ LYS A 23 -1.560 -12.363 6.921 1.00 10.00 N ATOM 0 H LYS A 23 -0.501 -7.686 4.747 1.00 10.00 H new ATOM 0 HA LYS A 23 -0.545 -7.141 7.551 1.00 10.00 H new ATOM 0 HB2 LYS A 23 0.673 -9.053 5.693 1.00 10.00 H new ATOM 0 HB3 LYS A 23 1.755 -8.594 6.993 1.00 10.00 H new ATOM 0 HG2 LYS A 23 0.493 -10.507 7.758 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -0.082 -9.114 8.652 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -2.109 -10.080 8.079 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -1.908 -8.984 6.726 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -2.489 -10.972 5.642 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -0.740 -11.008 5.534 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -1.619 -13.127 6.218 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -0.678 -12.459 7.463 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -2.372 -12.425 7.568 1.00 10.00 H new ATOM 345 N ARG A 24 1.888 -5.819 5.735 1.00 10.00 N ATOM 346 CA ARG A 24 2.910 -4.785 5.728 1.00 10.00 C ATOM 347 C ARG A 24 2.306 -3.394 5.941 1.00 10.00 C ATOM 348 O ARG A 24 2.879 -2.578 6.651 1.00 10.00 O ATOM 349 CB ARG A 24 3.730 -4.878 4.433 1.00 10.00 C ATOM 350 CG ARG A 24 5.198 -5.236 4.698 1.00 10.00 C ATOM 351 CD ARG A 24 5.374 -6.617 5.347 1.00 10.00 C ATOM 352 NE ARG A 24 5.516 -6.524 6.812 1.00 10.00 N ATOM 353 CZ ARG A 24 5.538 -7.563 7.661 1.00 10.00 C ATOM 354 NH1 ARG A 24 5.342 -8.803 7.198 1.00 10.00 N ATOM 355 NH2 ARG A 24 5.765 -7.361 8.964 1.00 10.00 N ATOM 0 H ARG A 24 1.751 -6.273 4.832 1.00 10.00 H new ATOM 0 HA ARG A 24 3.586 -4.949 6.567 1.00 10.00 H new ATOM 0 HB2 ARG A 24 3.288 -5.629 3.779 1.00 10.00 H new ATOM 0 HB3 ARG A 24 3.680 -3.926 3.905 1.00 10.00 H new ATOM 0 HG2 ARG A 24 5.747 -5.211 3.757 1.00 10.00 H new ATOM 0 HG3 ARG A 24 5.639 -4.478 5.345 1.00 10.00 H new ATOM 0 HD2 ARG A 24 4.516 -7.244 5.105 1.00 10.00 H new ATOM 0 HD3 ARG A 24 6.254 -7.105 4.928 1.00 10.00 H new ATOM 0 HE ARG A 24 5.605 -5.591 7.214 1.00 10.00 H new ATOM 0 HH11 ARG A 24 5.177 -8.956 6.203 1.00 10.00 H new ATOM 0 HH12 ARG A 24 5.358 -9.596 7.840 1.00 10.00 H new ATOM 0 HH21 ARG A 24 5.922 -6.416 9.314 1.00 10.00 H new ATOM 0 HH22 ARG A 24 5.781 -8.152 9.608 1.00 10.00 H new ATOM 369 N LEU A 25 1.154 -3.115 5.343 1.00 10.00 N ATOM 370 CA LEU A 25 0.462 -1.843 5.436 1.00 10.00 C ATOM 371 C LEU A 25 -0.241 -1.719 6.785 1.00 10.00 C ATOM 372 O LEU A 25 -0.249 -0.649 7.378 1.00 10.00 O ATOM 373 CB LEU A 25 -0.501 -1.695 4.248 1.00 10.00 C ATOM 374 CG LEU A 25 -0.039 -0.555 3.333 1.00 10.00 C ATOM 375 CD1 LEU A 25 -0.633 -0.718 1.935 1.00 10.00 C ATOM 376 CD2 LEU A 25 -0.490 0.779 3.941 1.00 10.00 C ATOM 0 H LEU A 25 0.662 -3.794 4.761 1.00 10.00 H new ATOM 0 HA LEU A 25 1.178 -1.023 5.381 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -0.543 -2.628 3.686 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.509 -1.495 4.610 1.00 10.00 H new ATOM 0 HG LEU A 25 1.047 -0.576 3.247 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.295 0.100 1.298 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -0.308 -1.667 1.510 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.721 -0.703 1.998 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -0.167 1.599 3.299 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.577 0.791 4.026 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -0.047 0.896 4.930 1.00 10.00 H new ATOM 388 N ASN A 26 -0.750 -2.823 7.328 1.00 10.00 N ATOM 389 CA ASN A 26 -1.323 -2.841 8.665 1.00 10.00 C ATOM 390 C ASN A 26 -0.211 -2.702 9.698 1.00 10.00 C ATOM 391 O ASN A 26 -0.514 -2.535 10.876 1.00 10.00 O ATOM 392 CB ASN A 26 -2.167 -4.099 8.932 1.00 10.00 C ATOM 393 CG ASN A 26 -3.468 -4.147 8.127 1.00 10.00 C ATOM 394 OD1 ASN A 26 -3.853 -3.185 7.469 1.00 10.00 O ATOM 395 ND2 ASN A 26 -4.174 -5.276 8.181 1.00 10.00 N ATOM 0 H ASN A 26 -0.775 -3.725 6.853 1.00 10.00 H new ATOM 0 HA ASN A 26 -2.005 -1.994 8.745 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -1.572 -4.982 8.698 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.405 -4.148 9.995 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -5.053 -5.353 7.669 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.835 -6.063 8.734 1.00 10.00 H new ATOM 402 N LYS A 27 1.070 -2.742 9.291 1.00 10.00 N ATOM 403 CA LYS A 27 2.104 -2.303 10.217 1.00 10.00 C ATOM 404 C LYS A 27 1.864 -0.830 10.591 1.00 10.00 C ATOM 405 O LYS A 27 2.159 -0.425 11.713 1.00 10.00 O ATOM 406 CB LYS A 27 3.526 -2.568 9.670 1.00 10.00 C ATOM 407 CG LYS A 27 4.198 -1.305 9.104 1.00 10.00 C ATOM 408 CD LYS A 27 5.695 -1.404 8.760 1.00 10.00 C ATOM 409 CE LYS A 27 5.971 -1.421 7.248 1.00 10.00 C ATOM 410 NZ LYS A 27 7.112 -0.533 6.882 1.00 10.00 N ATOM 0 H LYS A 27 1.394 -3.057 8.376 1.00 10.00 H new ATOM 0 HA LYS A 27 2.039 -2.895 11.130 1.00 10.00 H new ATOM 0 HB2 LYS A 27 4.146 -2.976 10.468 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.473 -3.326 8.888 1.00 10.00 H new ATOM 0 HG2 LYS A 27 3.662 -1.012 8.201 1.00 10.00 H new ATOM 0 HG3 LYS A 27 4.069 -0.500 9.827 1.00 10.00 H new ATOM 0 HD2 LYS A 27 6.220 -0.561 9.209 1.00 10.00 H new ATOM 0 HD3 LYS A 27 6.104 -2.310 9.207 1.00 10.00 H new ATOM 0 HE2 LYS A 27 6.188 -2.441 6.930 1.00 10.00 H new ATOM 0 HE3 LYS A 27 5.077 -1.103 6.712 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 7.682 -0.988 6.141 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 6.746 0.374 6.529 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 7.704 -0.365 7.720 1.00 10.00 H new ATOM 424 N ILE A 28 1.425 -0.013 9.624 1.00 10.00 N ATOM 425 CA ILE A 28 1.279 1.420 9.788 1.00 10.00 C ATOM 426 C ILE A 28 0.290 1.711 10.912 1.00 10.00 C ATOM 427 O ILE A 28 -0.856 1.272 10.862 1.00 10.00 O ATOM 428 CB ILE A 28 0.830 2.053 8.455 1.00 10.00 C ATOM 429 CG1 ILE A 28 1.792 1.778 7.283 1.00 10.00 C ATOM 430 CG2 ILE A 28 0.623 3.556 8.638 1.00 10.00 C ATOM 431 CD1 ILE A 28 3.258 2.043 7.604 1.00 10.00 C ATOM 0 H ILE A 28 1.160 -0.344 8.696 1.00 10.00 H new ATOM 0 HA ILE A 28 2.237 1.862 10.062 1.00 10.00 H new ATOM 0 HB ILE A 28 -0.112 1.576 8.185 1.00 10.00 H new ATOM 0 HG12 ILE A 28 1.681 0.739 6.973 1.00 10.00 H new ATOM 0 HG13 ILE A 28 1.500 2.397 6.435 1.00 10.00 H new ATOM 0 HG21 ILE A 28 0.306 3.997 7.693 1.00 10.00 H new ATOM 0 HG22 ILE A 28 -0.143 3.728 9.394 1.00 10.00 H new ATOM 0 HG23 ILE A 28 1.558 4.016 8.958 1.00 10.00 H new ATOM 0 HD11 ILE A 28 3.868 1.825 6.727 1.00 10.00 H new ATOM 0 HD12 ILE A 28 3.386 3.089 7.884 1.00 10.00 H new ATOM 0 HD13 ILE A 28 3.571 1.405 8.431 1.00 10.00 H new ATOM 443 N GLU A 29 0.726 2.473 11.916 1.00 10.00 N ATOM 444 CA GLU A 29 -0.115 2.805 13.051 1.00 10.00 C ATOM 445 C GLU A 29 -1.248 3.733 12.609 1.00 10.00 C ATOM 446 O GLU A 29 -2.416 3.461 12.877 1.00 10.00 O ATOM 447 CB GLU A 29 0.744 3.402 14.169 1.00 10.00 C ATOM 448 CG GLU A 29 1.851 2.427 14.592 1.00 10.00 C ATOM 449 CD GLU A 29 2.563 2.907 15.849 1.00 10.00 C ATOM 450 OE1 GLU A 29 2.048 2.597 16.945 1.00 10.00 O ATOM 451 OE2 GLU A 29 3.606 3.575 15.687 1.00 10.00 O ATOM 0 H GLU A 29 1.664 2.871 11.960 1.00 10.00 H new ATOM 0 HA GLU A 29 -0.584 1.906 13.450 1.00 10.00 H new ATOM 0 HB2 GLU A 29 1.189 4.338 13.831 1.00 10.00 H new ATOM 0 HB3 GLU A 29 0.116 3.640 15.028 1.00 10.00 H new ATOM 0 HG2 GLU A 29 1.421 1.441 14.769 1.00 10.00 H new ATOM 0 HG3 GLU A 29 2.572 2.319 13.782 1.00 10.00 H new ATOM 458 N GLY A 30 -0.935 4.804 11.871 1.00 10.00 N ATOM 459 CA GLY A 30 -1.924 5.796 11.485 1.00 10.00 C ATOM 460 C GLY A 30 -2.714 5.364 10.253 1.00 10.00 C ATOM 461 O GLY A 30 -2.963 6.181 9.369 1.00 10.00 O ATOM 0 H GLY A 30 0.006 5.000 11.530 1.00 10.00 H new ATOM 0 HA2 GLY A 30 -2.610 5.966 12.315 1.00 10.00 H new ATOM 0 HA3 GLY A 30 -1.427 6.745 11.283 1.00 10.00 H new ATOM 465 N VAL A 31 -3.093 4.087 10.171 1.00 10.00 N ATOM 466 CA VAL A 31 -3.814 3.508 9.058 1.00 10.00 C ATOM 467 C VAL A 31 -5.272 3.312 9.467 1.00 10.00 C ATOM 468 O VAL A 31 -5.553 3.041 10.632 1.00 10.00 O ATOM 469 CB VAL A 31 -3.105 2.202 8.664 1.00 10.00 C ATOM 470 CG1 VAL A 31 -3.555 0.982 9.468 1.00 10.00 C ATOM 471 CG2 VAL A 31 -3.217 1.919 7.171 1.00 10.00 C ATOM 0 H VAL A 31 -2.895 3.412 10.909 1.00 10.00 H new ATOM 0 HA VAL A 31 -3.819 4.156 8.182 1.00 10.00 H new ATOM 0 HB VAL A 31 -2.058 2.372 8.914 1.00 10.00 H new ATOM 0 HG11 VAL A 31 -3.008 0.102 9.130 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -3.354 1.149 10.526 1.00 10.00 H new ATOM 0 HG13 VAL A 31 -4.624 0.824 9.322 1.00 10.00 H new ATOM 0 HG21 VAL A 31 -2.702 0.987 6.938 1.00 10.00 H new ATOM 0 HG22 VAL A 31 -4.268 1.832 6.895 1.00 10.00 H new ATOM 0 HG23 VAL A 31 -2.761 2.735 6.611 1.00 10.00 H new ATOM 481 N ALA A 32 -6.194 3.453 8.514 1.00 10.00 N ATOM 482 CA ALA A 32 -7.600 3.132 8.721 1.00 10.00 C ATOM 483 C ALA A 32 -8.006 1.977 7.813 1.00 10.00 C ATOM 484 O ALA A 32 -8.560 0.996 8.301 1.00 10.00 O ATOM 485 CB ALA A 32 -8.476 4.363 8.500 1.00 10.00 C ATOM 0 H ALA A 32 -5.983 3.794 7.576 1.00 10.00 H new ATOM 0 HA ALA A 32 -7.746 2.817 9.754 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -9.521 4.099 8.660 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -8.188 5.145 9.202 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -8.345 4.724 7.480 1.00 10.00 H new ATOM 491 N ASN A 33 -7.746 2.072 6.501 1.00 10.00 N ATOM 492 CA ASN A 33 -8.166 1.039 5.561 1.00 10.00 C ATOM 493 C ASN A 33 -7.046 0.813 4.544 1.00 10.00 C ATOM 494 O ASN A 33 -6.399 1.774 4.137 1.00 10.00 O ATOM 495 CB ASN A 33 -9.478 1.447 4.862 1.00 10.00 C ATOM 496 CG ASN A 33 -10.571 1.961 5.804 1.00 10.00 C ATOM 497 OD1 ASN A 33 -11.395 1.175 6.262 1.00 10.00 O ATOM 498 ND2 ASN A 33 -10.646 3.264 6.094 1.00 10.00 N ATOM 0 H ASN A 33 -7.248 2.853 6.074 1.00 10.00 H new ATOM 0 HA ASN A 33 -8.357 0.108 6.095 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -9.257 2.221 4.127 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -9.864 0.588 4.314 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -11.391 3.610 6.699 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -9.958 3.912 5.710 1.00 10.00 H new ATOM 505 N ALA A 34 -6.816 -0.433 4.110 1.00 10.00 N ATOM 506 CA ALA A 34 -5.876 -0.750 3.039 1.00 10.00 C ATOM 507 C ALA A 34 -6.534 -1.673 2.002 1.00 10.00 C ATOM 508 O ALA A 34 -6.085 -2.804 1.826 1.00 10.00 O ATOM 509 CB ALA A 34 -4.618 -1.369 3.659 1.00 10.00 C ATOM 0 H ALA A 34 -7.283 -1.252 4.498 1.00 10.00 H new ATOM 0 HA ALA A 34 -5.587 0.156 2.506 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -3.905 -1.612 2.871 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -4.166 -0.658 4.351 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -4.887 -2.278 4.197 1.00 10.00 H new ATOM 515 N PRO A 35 -7.599 -1.226 1.311 1.00 10.00 N ATOM 516 CA PRO A 35 -8.348 -2.048 0.369 1.00 10.00 C ATOM 517 C PRO A 35 -7.575 -2.202 -0.948 1.00 10.00 C ATOM 518 O PRO A 35 -7.988 -1.709 -1.994 1.00 10.00 O ATOM 519 CB PRO A 35 -9.684 -1.316 0.197 1.00 10.00 C ATOM 520 CG PRO A 35 -9.284 0.152 0.347 1.00 10.00 C ATOM 521 CD PRO A 35 -8.216 0.087 1.438 1.00 10.00 C ATOM 0 HA PRO A 35 -8.506 -3.068 0.720 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -10.133 -1.516 -0.776 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -10.411 -1.617 0.952 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -8.891 0.564 -0.583 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -10.128 0.776 0.641 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -7.479 0.880 1.311 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -8.658 0.218 2.426 1.00 10.00 H new ATOM 529 N VAL A 36 -6.435 -2.886 -0.888 1.00 10.00 N ATOM 530 CA VAL A 36 -5.514 -3.102 -1.978 1.00 10.00 C ATOM 531 C VAL A 36 -6.125 -4.018 -3.037 1.00 10.00 C ATOM 532 O VAL A 36 -6.842 -4.956 -2.690 1.00 10.00 O ATOM 533 CB VAL A 36 -4.277 -3.726 -1.323 1.00 10.00 C ATOM 534 CG1 VAL A 36 -3.333 -4.311 -2.364 1.00 10.00 C ATOM 535 CG2 VAL A 36 -3.607 -2.689 -0.406 1.00 10.00 C ATOM 0 H VAL A 36 -6.120 -3.326 -0.023 1.00 10.00 H new ATOM 0 HA VAL A 36 -5.266 -2.180 -2.504 1.00 10.00 H new ATOM 0 HB VAL A 36 -4.578 -4.569 -0.700 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -2.466 -4.745 -1.866 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -3.851 -5.084 -2.931 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -3.005 -3.523 -3.041 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -2.727 -3.131 0.061 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -3.308 -1.822 -0.995 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -4.310 -2.378 0.367 1.00 10.00 H new ATOM 545 N ASN A 37 -5.816 -3.788 -4.322 1.00 10.00 N ATOM 546 CA ASN A 37 -6.373 -4.628 -5.374 1.00 10.00 C ATOM 547 C ASN A 37 -5.447 -5.806 -5.667 1.00 10.00 C ATOM 548 O ASN A 37 -4.227 -5.677 -5.608 1.00 10.00 O ATOM 549 CB ASN A 37 -6.639 -3.812 -6.635 1.00 10.00 C ATOM 550 CG ASN A 37 -7.593 -2.651 -6.371 1.00 10.00 C ATOM 551 OD1 ASN A 37 -8.687 -2.846 -5.851 1.00 10.00 O ATOM 552 ND2 ASN A 37 -7.194 -1.440 -6.738 1.00 10.00 N ATOM 0 H ASN A 37 -5.198 -3.044 -4.645 1.00 10.00 H new ATOM 0 HA ASN A 37 -7.327 -5.026 -5.027 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -5.696 -3.426 -7.023 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -7.059 -4.460 -7.404 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -7.804 -0.636 -6.590 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -6.278 -1.313 -7.168 1.00 10.00 H new ATOM 559 N PHE A 38 -6.035 -6.958 -5.995 1.00 10.00 N ATOM 560 CA PHE A 38 -5.351 -8.234 -6.168 1.00 10.00 C ATOM 561 C PHE A 38 -5.621 -8.781 -7.570 1.00 10.00 C ATOM 562 O PHE A 38 -6.247 -9.827 -7.715 1.00 10.00 O ATOM 563 CB PHE A 38 -5.787 -9.212 -5.061 1.00 10.00 C ATOM 564 CG PHE A 38 -7.186 -8.999 -4.517 1.00 10.00 C ATOM 565 CD1 PHE A 38 -7.396 -8.088 -3.464 1.00 10.00 C ATOM 566 CD2 PHE A 38 -8.285 -9.646 -5.112 1.00 10.00 C ATOM 567 CE1 PHE A 38 -8.698 -7.812 -3.020 1.00 10.00 C ATOM 568 CE2 PHE A 38 -9.587 -9.389 -4.646 1.00 10.00 C ATOM 569 CZ PHE A 38 -9.795 -8.469 -3.603 1.00 10.00 C ATOM 0 H PHE A 38 -7.040 -7.027 -6.153 1.00 10.00 H new ATOM 0 HA PHE A 38 -4.274 -8.098 -6.076 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -5.718 -10.228 -5.450 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -5.079 -9.138 -4.235 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -6.553 -7.601 -2.997 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -8.129 -10.339 -5.925 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -8.857 -7.094 -2.229 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -10.429 -9.899 -5.090 1.00 10.00 H new ATOM 0 HZ PHE A 38 -10.796 -8.268 -3.251 1.00 10.00 H new ATOM 579 N ALA A 39 -5.118 -8.060 -8.579 1.00 10.00 N ATOM 580 CA ALA A 39 -5.030 -8.438 -9.991 1.00 10.00 C ATOM 581 C ALA A 39 -4.925 -7.181 -10.853 1.00 10.00 C ATOM 582 O ALA A 39 -4.335 -7.204 -11.925 1.00 10.00 O ATOM 583 CB ALA A 39 -6.250 -9.228 -10.472 1.00 10.00 C ATOM 0 H ALA A 39 -4.734 -7.129 -8.416 1.00 10.00 H new ATOM 0 HA ALA A 39 -4.147 -9.070 -10.087 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -6.128 -9.480 -11.525 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -6.344 -10.144 -9.888 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.148 -8.623 -10.345 1.00 10.00 H new ATOM 589 N LEU A 40 -5.538 -6.092 -10.384 1.00 10.00 N ATOM 590 CA LEU A 40 -5.655 -4.843 -11.128 1.00 10.00 C ATOM 591 C LEU A 40 -4.324 -4.084 -11.132 1.00 10.00 C ATOM 592 O LEU A 40 -4.130 -3.173 -11.930 1.00 10.00 O ATOM 593 CB LEU A 40 -6.760 -3.973 -10.514 1.00 10.00 C ATOM 594 CG LEU A 40 -8.032 -4.731 -10.093 1.00 10.00 C ATOM 595 CD1 LEU A 40 -9.082 -3.703 -9.667 1.00 10.00 C ATOM 596 CD2 LEU A 40 -8.579 -5.644 -11.194 1.00 10.00 C ATOM 0 H LEU A 40 -5.973 -6.056 -9.462 1.00 10.00 H new ATOM 0 HA LEU A 40 -5.915 -5.077 -12.160 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -6.355 -3.462 -9.641 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.037 -3.203 -11.234 1.00 10.00 H new ATOM 0 HG LEU A 40 -7.780 -5.391 -9.263 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -9.994 -4.218 -9.364 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.700 -3.118 -8.830 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -9.301 -3.039 -10.503 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -9.475 -6.150 -10.835 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.826 -5.047 -12.072 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -7.826 -6.386 -11.459 1.00 10.00 H new ATOM 608 N GLU A 41 -3.439 -4.458 -10.203 1.00 10.00 N ATOM 609 CA GLU A 41 -2.094 -3.931 -10.043 1.00 10.00 C ATOM 610 C GLU A 41 -2.137 -2.470 -9.606 1.00 10.00 C ATOM 611 O GLU A 41 -1.428 -1.618 -10.139 1.00 10.00 O ATOM 612 CB GLU A 41 -1.222 -4.195 -11.277 1.00 10.00 C ATOM 613 CG GLU A 41 -1.150 -5.695 -11.599 1.00 10.00 C ATOM 614 CD GLU A 41 0.117 -6.040 -12.371 1.00 10.00 C ATOM 615 OE1 GLU A 41 0.069 -5.944 -13.616 1.00 10.00 O ATOM 616 OE2 GLU A 41 1.113 -6.384 -11.695 1.00 10.00 O ATOM 0 H GLU A 41 -3.660 -5.173 -9.510 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.600 -4.474 -9.237 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -1.627 -3.656 -12.133 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -0.217 -3.809 -11.104 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -1.181 -6.269 -10.673 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -2.023 -5.985 -12.183 1.00 10.00 H new ATOM 623 N THR A 42 -2.958 -2.214 -8.586 1.00 10.00 N ATOM 624 CA THR A 42 -3.122 -0.926 -7.940 1.00 10.00 C ATOM 625 C THR A 42 -3.325 -1.163 -6.440 1.00 10.00 C ATOM 626 O THR A 42 -4.210 -1.917 -6.034 1.00 10.00 O ATOM 627 CB THR A 42 -4.316 -0.196 -8.569 1.00 10.00 C ATOM 628 OG1 THR A 42 -5.387 -1.095 -8.796 1.00 10.00 O ATOM 629 CG2 THR A 42 -3.931 0.453 -9.902 1.00 10.00 C ATOM 0 H THR A 42 -3.550 -2.936 -8.175 1.00 10.00 H new ATOM 0 HA THR A 42 -2.241 -0.299 -8.077 1.00 10.00 H new ATOM 0 HB THR A 42 -4.625 0.580 -7.868 1.00 10.00 H new ATOM 0 HG1 THR A 42 -6.140 -0.612 -9.196 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.798 0.962 -10.323 1.00 10.00 H new ATOM 0 HG22 THR A 42 -3.131 1.175 -9.738 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.590 -0.315 -10.596 1.00 10.00 H new ATOM 637 N VAL A 43 -2.495 -0.538 -5.607 1.00 10.00 N ATOM 638 CA VAL A 43 -2.709 -0.497 -4.167 1.00 10.00 C ATOM 639 C VAL A 43 -3.457 0.798 -3.867 1.00 10.00 C ATOM 640 O VAL A 43 -3.178 1.835 -4.470 1.00 10.00 O ATOM 641 CB VAL A 43 -1.361 -0.585 -3.435 1.00 10.00 C ATOM 642 CG1 VAL A 43 -1.389 -0.099 -1.981 1.00 10.00 C ATOM 643 CG2 VAL A 43 -0.772 -2.001 -3.470 1.00 10.00 C ATOM 0 H VAL A 43 -1.656 -0.046 -5.914 1.00 10.00 H new ATOM 0 HA VAL A 43 -3.301 -1.343 -3.817 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.723 0.099 -3.995 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -0.395 -0.198 -1.545 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.695 0.947 -1.953 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.097 -0.700 -1.410 1.00 10.00 H new ATOM 0 HG21 VAL A 43 0.180 -2.012 -2.940 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.463 -2.694 -2.990 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.614 -2.304 -4.505 1.00 10.00 H new ATOM 653 N THR A 44 -4.394 0.715 -2.924 1.00 10.00 N ATOM 654 CA THR A 44 -5.267 1.775 -2.485 1.00 10.00 C ATOM 655 C THR A 44 -5.160 1.787 -0.962 1.00 10.00 C ATOM 656 O THR A 44 -5.341 0.735 -0.346 1.00 10.00 O ATOM 657 CB THR A 44 -6.689 1.399 -2.917 1.00 10.00 C ATOM 658 OG1 THR A 44 -6.741 1.065 -4.292 1.00 10.00 O ATOM 659 CG2 THR A 44 -7.672 2.516 -2.587 1.00 10.00 C ATOM 0 H THR A 44 -4.566 -0.155 -2.421 1.00 10.00 H new ATOM 0 HA THR A 44 -5.014 2.752 -2.898 1.00 10.00 H new ATOM 0 HB THR A 44 -6.982 0.514 -2.353 1.00 10.00 H new ATOM 0 HG1 THR A 44 -7.098 1.823 -4.800 1.00 10.00 H new ATOM 0 HG21 THR A 44 -8.674 2.225 -2.903 1.00 10.00 H new ATOM 0 HG22 THR A 44 -7.669 2.697 -1.512 1.00 10.00 H new ATOM 0 HG23 THR A 44 -7.377 3.426 -3.109 1.00 10.00 H new ATOM 667 N VAL A 45 -4.843 2.932 -0.351 1.00 10.00 N ATOM 668 CA VAL A 45 -4.739 3.055 1.096 1.00 10.00 C ATOM 669 C VAL A 45 -5.584 4.233 1.566 1.00 10.00 C ATOM 670 O VAL A 45 -5.824 5.178 0.815 1.00 10.00 O ATOM 671 CB VAL A 45 -3.269 3.190 1.528 1.00 10.00 C ATOM 672 CG1 VAL A 45 -3.130 3.145 3.053 1.00 10.00 C ATOM 673 CG2 VAL A 45 -2.427 2.050 0.945 1.00 10.00 C ATOM 0 H VAL A 45 -4.652 3.799 -0.852 1.00 10.00 H new ATOM 0 HA VAL A 45 -5.123 2.150 1.567 1.00 10.00 H new ATOM 0 HB VAL A 45 -2.917 4.152 1.155 1.00 10.00 H new ATOM 0 HG11 VAL A 45 -2.079 3.243 3.326 1.00 10.00 H new ATOM 0 HG12 VAL A 45 -3.697 3.964 3.494 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -3.515 2.196 3.426 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.391 2.164 1.262 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -2.812 1.094 1.301 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.478 2.080 -0.143 1.00 10.00 H new ATOM 683 N GLU A 46 -6.038 4.141 2.813 1.00 10.00 N ATOM 684 CA GLU A 46 -6.792 5.134 3.540 1.00 10.00 C ATOM 685 C GLU A 46 -6.067 5.275 4.892 1.00 10.00 C ATOM 686 O GLU A 46 -6.211 4.420 5.774 1.00 10.00 O ATOM 687 CB GLU A 46 -8.236 4.616 3.631 1.00 10.00 C ATOM 688 CG GLU A 46 -9.291 5.720 3.545 1.00 10.00 C ATOM 689 CD GLU A 46 -9.316 6.517 4.827 1.00 10.00 C ATOM 690 OE1 GLU A 46 -9.648 5.902 5.863 1.00 10.00 O ATOM 691 OE2 GLU A 46 -8.957 7.708 4.783 1.00 10.00 O ATOM 0 H GLU A 46 -5.871 3.306 3.374 1.00 10.00 H new ATOM 0 HA GLU A 46 -6.848 6.121 3.082 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -8.407 3.899 2.828 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -8.361 4.078 4.571 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -9.072 6.377 2.704 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -10.272 5.282 3.361 1.00 10.00 H new ATOM 698 N TYR A 47 -5.193 6.282 5.013 1.00 10.00 N ATOM 699 CA TYR A 47 -4.297 6.452 6.154 1.00 10.00 C ATOM 700 C TYR A 47 -4.031 7.929 6.402 1.00 10.00 C ATOM 701 O TYR A 47 -4.295 8.759 5.539 1.00 10.00 O ATOM 702 CB TYR A 47 -2.969 5.705 5.947 1.00 10.00 C ATOM 703 CG TYR A 47 -1.894 6.448 5.168 1.00 10.00 C ATOM 704 CD1 TYR A 47 -2.029 6.710 3.789 1.00 10.00 C ATOM 705 CD2 TYR A 47 -0.815 7.010 5.876 1.00 10.00 C ATOM 706 CE1 TYR A 47 -1.127 7.579 3.148 1.00 10.00 C ATOM 707 CE2 TYR A 47 0.040 7.929 5.251 1.00 10.00 C ATOM 708 CZ TYR A 47 -0.134 8.235 3.894 1.00 10.00 C ATOM 709 OH TYR A 47 0.633 9.204 3.323 1.00 10.00 O ATOM 0 H TYR A 47 -5.090 7.011 4.307 1.00 10.00 H new ATOM 0 HA TYR A 47 -4.790 6.024 7.027 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.565 5.446 6.926 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -3.180 4.768 5.431 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -2.824 6.244 3.226 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -0.645 6.732 6.906 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -1.198 7.742 2.083 1.00 10.00 H new ATOM 0 HE2 TYR A 47 0.832 8.401 5.814 1.00 10.00 H new ATOM 0 HH TYR A 47 1.093 9.712 4.023 1.00 10.00 H new ATOM 719 N ASN A 48 -3.499 8.259 7.576 1.00 10.00 N ATOM 720 CA ASN A 48 -3.184 9.634 7.943 1.00 10.00 C ATOM 721 C ASN A 48 -1.711 9.939 7.664 1.00 10.00 C ATOM 722 O ASN A 48 -0.838 9.175 8.073 1.00 10.00 O ATOM 723 CB ASN A 48 -3.584 9.943 9.397 1.00 10.00 C ATOM 724 CG ASN A 48 -2.738 9.288 10.493 1.00 10.00 C ATOM 725 OD1 ASN A 48 -1.526 9.473 10.572 1.00 10.00 O ATOM 726 ND2 ASN A 48 -3.379 8.578 11.418 1.00 10.00 N ATOM 0 H ASN A 48 -3.274 7.577 8.301 1.00 10.00 H new ATOM 0 HA ASN A 48 -3.780 10.299 7.318 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -3.548 11.023 9.538 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -4.621 9.637 9.538 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -2.864 8.181 12.204 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -4.385 8.431 11.342 1.00 10.00 H new ATOM 733 N PRO A 49 -1.383 11.066 7.017 1.00 10.00 N ATOM 734 CA PRO A 49 -0.013 11.547 6.967 1.00 10.00 C ATOM 735 C PRO A 49 0.319 12.260 8.287 1.00 10.00 C ATOM 736 O PRO A 49 0.710 13.425 8.270 1.00 10.00 O ATOM 737 CB PRO A 49 0.018 12.480 5.751 1.00 10.00 C ATOM 738 CG PRO A 49 -1.383 13.088 5.757 1.00 10.00 C ATOM 739 CD PRO A 49 -2.263 11.939 6.254 1.00 10.00 C ATOM 0 HA PRO A 49 0.735 10.762 6.861 1.00 10.00 H new ATOM 0 HB2 PRO A 49 0.791 13.243 5.846 1.00 10.00 H new ATOM 0 HB3 PRO A 49 0.219 11.936 4.828 1.00 10.00 H new ATOM 0 HG2 PRO A 49 -1.443 13.954 6.416 1.00 10.00 H new ATOM 0 HG3 PRO A 49 -1.681 13.422 4.763 1.00 10.00 H new ATOM 0 HD2 PRO A 49 -3.078 12.311 6.874 1.00 10.00 H new ATOM 0 HD3 PRO A 49 -2.716 11.404 5.419 1.00 10.00 H new ATOM 747 N LYS A 50 0.150 11.583 9.435 1.00 10.00 N ATOM 748 CA LYS A 50 0.484 12.156 10.744 1.00 10.00 C ATOM 749 C LYS A 50 1.404 11.212 11.519 1.00 10.00 C ATOM 750 O LYS A 50 2.354 11.669 12.151 1.00 10.00 O ATOM 751 CB LYS A 50 -0.783 12.638 11.496 1.00 10.00 C ATOM 752 CG LYS A 50 -1.246 11.832 12.722 1.00 10.00 C ATOM 753 CD LYS A 50 -0.445 12.105 14.006 1.00 10.00 C ATOM 754 CE LYS A 50 -0.285 10.769 14.744 1.00 10.00 C ATOM 755 NZ LYS A 50 0.393 10.867 16.050 1.00 10.00 N ATOM 0 H LYS A 50 -0.218 10.633 9.480 1.00 10.00 H new ATOM 0 HA LYS A 50 1.065 13.069 10.613 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -0.610 13.665 11.818 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -1.606 12.662 10.782 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -2.297 12.053 12.911 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -1.181 10.769 12.488 1.00 10.00 H new ATOM 0 HD2 LYS A 50 0.530 12.530 13.766 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -0.963 12.830 14.634 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -1.272 10.331 14.894 1.00 10.00 H new ATOM 0 HE3 LYS A 50 0.275 10.083 14.109 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 0.520 9.914 16.448 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 1.323 11.317 15.926 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -0.184 11.439 16.699 1.00 10.00 H new ATOM 769 N GLU A 51 1.133 9.904 11.470 1.00 10.00 N ATOM 770 CA GLU A 51 1.942 8.885 12.129 1.00 10.00 C ATOM 771 C GLU A 51 2.925 8.238 11.144 1.00 10.00 C ATOM 772 O GLU A 51 4.017 7.835 11.536 1.00 10.00 O ATOM 773 CB GLU A 51 0.994 7.847 12.763 1.00 10.00 C ATOM 774 CG GLU A 51 1.361 7.486 14.217 1.00 10.00 C ATOM 775 CD GLU A 51 0.176 7.633 15.164 1.00 10.00 C ATOM 776 OE1 GLU A 51 -0.939 7.236 14.766 1.00 10.00 O ATOM 777 OE2 GLU A 51 0.381 8.278 16.219 1.00 10.00 O ATOM 0 H GLU A 51 0.334 9.523 10.964 1.00 10.00 H new ATOM 0 HA GLU A 51 2.549 9.339 12.912 1.00 10.00 H new ATOM 0 HB2 GLU A 51 -0.024 8.235 12.739 1.00 10.00 H new ATOM 0 HB3 GLU A 51 1.004 6.940 12.158 1.00 10.00 H new ATOM 0 HG2 GLU A 51 1.728 6.460 14.253 1.00 10.00 H new ATOM 0 HG3 GLU A 51 2.175 8.128 14.554 1.00 10.00 H new ATOM 784 N ALA A 52 2.539 8.127 9.869 1.00 10.00 N ATOM 785 CA ALA A 52 3.311 7.466 8.824 1.00 10.00 C ATOM 786 C ALA A 52 3.249 8.288 7.543 1.00 10.00 C ATOM 787 O ALA A 52 2.704 9.390 7.534 1.00 10.00 O ATOM 788 CB ALA A 52 2.750 6.066 8.623 1.00 10.00 C ATOM 0 H ALA A 52 1.655 8.507 9.531 1.00 10.00 H new ATOM 0 HA ALA A 52 4.360 7.385 9.110 1.00 10.00 H new ATOM 0 HB1 ALA A 52 3.316 5.556 7.844 1.00 10.00 H new ATOM 0 HB2 ALA A 52 2.828 5.505 9.555 1.00 10.00 H new ATOM 0 HB3 ALA A 52 1.703 6.133 8.327 1.00 10.00 H new ATOM 794 N SER A 53 3.820 7.763 6.457 1.00 10.00 N ATOM 795 CA SER A 53 3.857 8.441 5.178 1.00 10.00 C ATOM 796 C SER A 53 3.821 7.419 4.048 1.00 10.00 C ATOM 797 O SER A 53 4.141 6.242 4.245 1.00 10.00 O ATOM 798 CB SER A 53 5.128 9.294 5.102 1.00 10.00 C ATOM 799 OG SER A 53 6.269 8.480 5.298 1.00 10.00 O ATOM 0 H SER A 53 4.271 6.848 6.450 1.00 10.00 H new ATOM 0 HA SER A 53 2.987 9.090 5.075 1.00 10.00 H new ATOM 0 HB2 SER A 53 5.186 9.789 4.133 1.00 10.00 H new ATOM 0 HB3 SER A 53 5.096 10.078 5.859 1.00 10.00 H new ATOM 0 HG SER A 53 7.077 9.032 5.246 1.00 10.00 H new ATOM 805 N VAL A 54 3.500 7.917 2.850 1.00 10.00 N ATOM 806 CA VAL A 54 3.717 7.250 1.576 1.00 10.00 C ATOM 807 C VAL A 54 5.055 6.508 1.593 1.00 10.00 C ATOM 808 O VAL A 54 5.115 5.329 1.263 1.00 10.00 O ATOM 809 CB VAL A 54 3.655 8.307 0.457 1.00 10.00 C ATOM 810 CG1 VAL A 54 4.120 7.766 -0.903 1.00 10.00 C ATOM 811 CG2 VAL A 54 2.228 8.867 0.349 1.00 10.00 C ATOM 0 H VAL A 54 3.065 8.833 2.744 1.00 10.00 H new ATOM 0 HA VAL A 54 2.943 6.504 1.394 1.00 10.00 H new ATOM 0 HB VAL A 54 4.347 9.104 0.728 1.00 10.00 H new ATOM 0 HG11 VAL A 54 4.054 8.556 -1.651 1.00 10.00 H new ATOM 0 HG12 VAL A 54 5.153 7.425 -0.825 1.00 10.00 H new ATOM 0 HG13 VAL A 54 3.484 6.932 -1.199 1.00 10.00 H new ATOM 0 HG21 VAL A 54 2.189 9.614 -0.444 1.00 10.00 H new ATOM 0 HG22 VAL A 54 1.536 8.057 0.118 1.00 10.00 H new ATOM 0 HG23 VAL A 54 1.945 9.327 1.296 1.00 10.00 H new ATOM 821 N SER A 55 6.127 7.197 1.989 1.00 10.00 N ATOM 822 CA SER A 55 7.471 6.657 2.062 1.00 10.00 C ATOM 823 C SER A 55 7.548 5.341 2.847 1.00 10.00 C ATOM 824 O SER A 55 8.230 4.411 2.394 1.00 10.00 O ATOM 825 CB SER A 55 8.373 7.737 2.664 1.00 10.00 C ATOM 826 OG SER A 55 8.080 8.967 2.024 1.00 10.00 O ATOM 0 H SER A 55 6.074 8.175 2.275 1.00 10.00 H new ATOM 0 HA SER A 55 7.808 6.398 1.058 1.00 10.00 H new ATOM 0 HB2 SER A 55 8.204 7.818 3.738 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.422 7.477 2.525 1.00 10.00 H new ATOM 0 HG SER A 55 8.647 9.673 2.398 1.00 10.00 H new ATOM 832 N ASP A 56 6.872 5.261 4.001 1.00 10.00 N ATOM 833 CA ASP A 56 6.901 4.068 4.839 1.00 10.00 C ATOM 834 C ASP A 56 6.093 2.957 4.182 1.00 10.00 C ATOM 835 O ASP A 56 6.608 1.870 3.958 1.00 10.00 O ATOM 836 CB ASP A 56 6.393 4.344 6.260 1.00 10.00 C ATOM 837 CG ASP A 56 6.692 3.170 7.197 1.00 10.00 C ATOM 838 OD1 ASP A 56 6.377 2.015 6.831 1.00 10.00 O ATOM 839 OD2 ASP A 56 7.250 3.436 8.278 1.00 10.00 O ATOM 0 H ASP A 56 6.297 6.017 4.372 1.00 10.00 H new ATOM 0 HA ASP A 56 7.940 3.752 4.933 1.00 10.00 H new ATOM 0 HB2 ASP A 56 6.862 5.249 6.647 1.00 10.00 H new ATOM 0 HB3 ASP A 56 5.319 4.527 6.235 1.00 10.00 H new ATOM 844 N LEU A 57 4.832 3.204 3.821 1.00 10.00 N ATOM 845 CA LEU A 57 4.055 2.115 3.233 1.00 10.00 C ATOM 846 C LEU A 57 4.710 1.620 1.926 1.00 10.00 C ATOM 847 O LEU A 57 4.836 0.416 1.705 1.00 10.00 O ATOM 848 CB LEU A 57 2.564 2.466 3.183 1.00 10.00 C ATOM 849 CG LEU A 57 2.225 3.585 2.196 1.00 10.00 C ATOM 850 CD1 LEU A 57 1.979 2.992 0.806 1.00 10.00 C ATOM 851 CD2 LEU A 57 1.017 4.404 2.664 1.00 10.00 C ATOM 0 H LEU A 57 4.349 4.097 3.918 1.00 10.00 H new ATOM 0 HA LEU A 57 4.078 1.235 3.875 1.00 10.00 H new ATOM 0 HB2 LEU A 57 1.999 1.573 2.914 1.00 10.00 H new ATOM 0 HB3 LEU A 57 2.236 2.762 4.180 1.00 10.00 H new ATOM 0 HG LEU A 57 3.074 4.267 2.146 1.00 10.00 H new ATOM 0 HD11 LEU A 57 1.738 3.792 0.106 1.00 10.00 H new ATOM 0 HD12 LEU A 57 2.876 2.473 0.468 1.00 10.00 H new ATOM 0 HD13 LEU A 57 1.148 2.288 0.853 1.00 10.00 H new ATOM 0 HD21 LEU A 57 0.806 5.189 1.938 1.00 10.00 H new ATOM 0 HD22 LEU A 57 0.149 3.752 2.755 1.00 10.00 H new ATOM 0 HD23 LEU A 57 1.236 4.854 3.632 1.00 10.00 H new ATOM 863 N LYS A 58 5.228 2.542 1.103 1.00 10.00 N ATOM 864 CA LYS A 58 6.195 2.251 0.056 1.00 10.00 C ATOM 865 C LYS A 58 7.311 1.321 0.538 1.00 10.00 C ATOM 866 O LYS A 58 7.488 0.276 -0.073 1.00 10.00 O ATOM 867 CB LYS A 58 6.696 3.572 -0.552 1.00 10.00 C ATOM 868 CG LYS A 58 7.508 3.485 -1.846 1.00 10.00 C ATOM 869 CD LYS A 58 8.948 2.958 -1.773 1.00 10.00 C ATOM 870 CE LYS A 58 9.928 3.847 -0.985 1.00 10.00 C ATOM 871 NZ LYS A 58 9.949 3.570 0.467 1.00 10.00 N ATOM 0 H LYS A 58 4.976 3.529 1.154 1.00 10.00 H new ATOM 0 HA LYS A 58 5.709 1.688 -0.741 1.00 10.00 H new ATOM 0 HB2 LYS A 58 5.830 4.207 -0.739 1.00 10.00 H new ATOM 0 HB3 LYS A 58 7.307 4.078 0.196 1.00 10.00 H new ATOM 0 HG2 LYS A 58 6.958 2.851 -2.541 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.542 4.483 -2.284 1.00 10.00 H new ATOM 0 HD2 LYS A 58 8.934 1.968 -1.318 1.00 10.00 H new ATOM 0 HD3 LYS A 58 9.326 2.837 -2.788 1.00 10.00 H new ATOM 0 HE2 LYS A 58 10.932 3.709 -1.386 1.00 10.00 H new ATOM 0 HE3 LYS A 58 9.663 4.892 -1.142 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 10.711 4.119 0.914 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 9.036 3.841 0.885 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 10.115 2.555 0.625 1.00 10.00 H new ATOM 885 N GLU A 59 8.073 1.664 1.590 1.00 10.00 N ATOM 886 CA GLU A 59 9.100 0.805 2.155 1.00 10.00 C ATOM 887 C GLU A 59 8.540 -0.585 2.417 1.00 10.00 C ATOM 888 O GLU A 59 9.146 -1.568 2.016 1.00 10.00 O ATOM 889 CB GLU A 59 9.636 1.461 3.433 1.00 10.00 C ATOM 890 CG GLU A 59 10.768 0.678 4.087 1.00 10.00 C ATOM 891 CD GLU A 59 10.338 -0.548 4.911 1.00 10.00 C ATOM 892 OE1 GLU A 59 9.175 -0.571 5.385 1.00 10.00 O ATOM 893 OE2 GLU A 59 11.189 -1.452 5.067 1.00 10.00 O ATOM 0 H GLU A 59 7.984 2.559 2.070 1.00 10.00 H new ATOM 0 HA GLU A 59 9.925 0.685 1.453 1.00 10.00 H new ATOM 0 HB2 GLU A 59 9.988 2.465 3.197 1.00 10.00 H new ATOM 0 HB3 GLU A 59 8.819 1.569 4.147 1.00 10.00 H new ATOM 0 HG2 GLU A 59 11.455 0.347 3.308 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.325 1.353 4.737 1.00 10.00 H new ATOM 900 N ALA A 60 7.378 -0.657 3.063 1.00 10.00 N ATOM 901 CA ALA A 60 6.738 -1.905 3.422 1.00 10.00 C ATOM 902 C ALA A 60 6.637 -2.802 2.190 1.00 10.00 C ATOM 903 O ALA A 60 7.101 -3.941 2.191 1.00 10.00 O ATOM 904 CB ALA A 60 5.363 -1.599 4.026 1.00 10.00 C ATOM 0 H ALA A 60 6.852 0.168 3.353 1.00 10.00 H new ATOM 0 HA ALA A 60 7.326 -2.440 4.167 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.871 -2.532 4.301 1.00 10.00 H new ATOM 0 HB2 ALA A 60 5.485 -0.978 4.914 1.00 10.00 H new ATOM 0 HB3 ALA A 60 4.754 -1.069 3.294 1.00 10.00 H new ATOM 910 N VAL A 61 6.046 -2.265 1.124 1.00 10.00 N ATOM 911 CA VAL A 61 5.918 -2.980 -0.136 1.00 10.00 C ATOM 912 C VAL A 61 7.296 -3.290 -0.740 1.00 10.00 C ATOM 913 O VAL A 61 7.536 -4.422 -1.150 1.00 10.00 O ATOM 914 CB VAL A 61 4.983 -2.224 -1.087 1.00 10.00 C ATOM 915 CG1 VAL A 61 4.880 -2.971 -2.423 1.00 10.00 C ATOM 916 CG2 VAL A 61 3.585 -2.113 -0.465 1.00 10.00 C ATOM 0 H VAL A 61 5.646 -1.327 1.113 1.00 10.00 H new ATOM 0 HA VAL A 61 5.454 -3.949 0.046 1.00 10.00 H new ATOM 0 HB VAL A 61 5.388 -1.226 -1.257 1.00 10.00 H new ATOM 0 HG11 VAL A 61 4.214 -2.428 -3.093 1.00 10.00 H new ATOM 0 HG12 VAL A 61 5.869 -3.045 -2.876 1.00 10.00 H new ATOM 0 HG13 VAL A 61 4.484 -3.972 -2.251 1.00 10.00 H new ATOM 0 HG21 VAL A 61 2.926 -1.575 -1.146 1.00 10.00 H new ATOM 0 HG22 VAL A 61 3.186 -3.111 -0.287 1.00 10.00 H new ATOM 0 HG23 VAL A 61 3.649 -1.574 0.480 1.00 10.00 H new ATOM 926 N ASP A 62 8.214 -2.322 -0.755 1.00 10.00 N ATOM 927 CA ASP A 62 9.568 -2.498 -1.281 1.00 10.00 C ATOM 928 C ASP A 62 10.216 -3.739 -0.648 1.00 10.00 C ATOM 929 O ASP A 62 10.576 -4.702 -1.323 1.00 10.00 O ATOM 930 CB ASP A 62 10.383 -1.214 -1.020 1.00 10.00 C ATOM 931 CG ASP A 62 11.059 -0.681 -2.275 1.00 10.00 C ATOM 932 OD1 ASP A 62 12.027 -1.328 -2.721 1.00 10.00 O ATOM 933 OD2 ASP A 62 10.598 0.380 -2.758 1.00 10.00 O ATOM 0 H ASP A 62 8.036 -1.383 -0.398 1.00 10.00 H new ATOM 0 HA ASP A 62 9.540 -2.664 -2.358 1.00 10.00 H new ATOM 0 HB2 ASP A 62 9.724 -0.447 -0.614 1.00 10.00 H new ATOM 0 HB3 ASP A 62 11.140 -1.417 -0.263 1.00 10.00 H new ATOM 938 N LYS A 63 10.272 -3.733 0.687 1.00 10.00 N ATOM 939 CA LYS A 63 10.740 -4.807 1.557 1.00 10.00 C ATOM 940 C LYS A 63 10.096 -6.149 1.193 1.00 10.00 C ATOM 941 O LYS A 63 10.727 -7.198 1.303 1.00 10.00 O ATOM 942 CB LYS A 63 10.397 -4.438 3.014 1.00 10.00 C ATOM 943 CG LYS A 63 11.360 -4.999 4.064 1.00 10.00 C ATOM 944 CD LYS A 63 12.714 -4.269 4.003 1.00 10.00 C ATOM 945 CE LYS A 63 13.378 -4.154 5.381 1.00 10.00 C ATOM 946 NZ LYS A 63 13.697 -5.472 5.967 1.00 10.00 N ATOM 0 H LYS A 63 9.970 -2.919 1.222 1.00 10.00 H new ATOM 0 HA LYS A 63 11.817 -4.918 1.433 1.00 10.00 H new ATOM 0 HB2 LYS A 63 10.377 -3.352 3.104 1.00 10.00 H new ATOM 0 HB3 LYS A 63 9.391 -4.795 3.237 1.00 10.00 H new ATOM 0 HG2 LYS A 63 10.926 -4.890 5.058 1.00 10.00 H new ATOM 0 HG3 LYS A 63 11.508 -6.066 3.896 1.00 10.00 H new ATOM 0 HD2 LYS A 63 13.381 -4.801 3.325 1.00 10.00 H new ATOM 0 HD3 LYS A 63 12.568 -3.272 3.589 1.00 10.00 H new ATOM 0 HE2 LYS A 63 14.293 -3.568 5.292 1.00 10.00 H new ATOM 0 HE3 LYS A 63 12.716 -3.611 6.055 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 14.159 -5.339 6.889 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 12.820 -6.017 6.094 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 14.337 -5.989 5.331 1.00 10.00 H new ATOM 960 N LEU A 64 8.819 -6.110 0.806 1.00 10.00 N ATOM 961 CA LEU A 64 8.032 -7.266 0.403 1.00 10.00 C ATOM 962 C LEU A 64 8.633 -7.961 -0.819 1.00 10.00 C ATOM 963 O LEU A 64 8.528 -9.182 -0.927 1.00 10.00 O ATOM 964 CB LEU A 64 6.600 -6.797 0.107 1.00 10.00 C ATOM 965 CG LEU A 64 5.467 -7.693 0.601 1.00 10.00 C ATOM 966 CD1 LEU A 64 5.598 -7.934 2.108 1.00 10.00 C ATOM 967 CD2 LEU A 64 4.172 -6.923 0.315 1.00 10.00 C ATOM 0 H LEU A 64 8.290 -5.239 0.765 1.00 10.00 H new ATOM 0 HA LEU A 64 8.030 -7.996 1.212 1.00 10.00 H new ATOM 0 HB2 LEU A 64 6.468 -5.809 0.547 1.00 10.00 H new ATOM 0 HB3 LEU A 64 6.496 -6.682 -0.972 1.00 10.00 H new ATOM 0 HG LEU A 64 5.484 -8.664 0.107 1.00 10.00 H new ATOM 0 HD11 LEU A 64 4.783 -8.574 2.446 1.00 10.00 H new ATOM 0 HD12 LEU A 64 6.552 -8.419 2.317 1.00 10.00 H new ATOM 0 HD13 LEU A 64 5.552 -6.981 2.634 1.00 10.00 H new ATOM 0 HD21 LEU A 64 3.317 -7.513 0.647 1.00 10.00 H new ATOM 0 HD22 LEU A 64 4.188 -5.974 0.850 1.00 10.00 H new ATOM 0 HD23 LEU A 64 4.089 -6.735 -0.755 1.00 10.00 H new ATOM 979 N GLY A 65 9.234 -7.199 -1.740 1.00 10.00 N ATOM 980 CA GLY A 65 9.899 -7.747 -2.913 1.00 10.00 C ATOM 981 C GLY A 65 9.776 -6.819 -4.118 1.00 10.00 C ATOM 982 O GLY A 65 10.774 -6.503 -4.759 1.00 10.00 O ATOM 0 H GLY A 65 9.269 -6.181 -1.686 1.00 10.00 H new ATOM 0 HA2 GLY A 65 10.953 -7.914 -2.689 1.00 10.00 H new ATOM 0 HA3 GLY A 65 9.467 -8.718 -3.156 1.00 10.00 H new ATOM 986 N TYR A 66 8.545 -6.422 -4.454 1.00 10.00 N ATOM 987 CA TYR A 66 8.246 -5.592 -5.614 1.00 10.00 C ATOM 988 C TYR A 66 8.084 -4.135 -5.182 1.00 10.00 C ATOM 989 O TYR A 66 7.842 -3.853 -4.013 1.00 10.00 O ATOM 990 CB TYR A 66 6.995 -6.119 -6.327 1.00 10.00 C ATOM 991 CG TYR A 66 5.981 -6.803 -5.426 1.00 10.00 C ATOM 992 CD1 TYR A 66 5.057 -6.041 -4.692 1.00 10.00 C ATOM 993 CD2 TYR A 66 6.063 -8.192 -5.215 1.00 10.00 C ATOM 994 CE1 TYR A 66 4.249 -6.662 -3.728 1.00 10.00 C ATOM 995 CE2 TYR A 66 5.250 -8.810 -4.252 1.00 10.00 C ATOM 996 CZ TYR A 66 4.357 -8.042 -3.492 1.00 10.00 C ATOM 997 OH TYR A 66 3.581 -8.647 -2.550 1.00 10.00 O ATOM 0 H TYR A 66 7.717 -6.675 -3.915 1.00 10.00 H new ATOM 0 HA TYR A 66 9.073 -5.638 -6.322 1.00 10.00 H new ATOM 0 HB2 TYR A 66 6.506 -5.286 -6.832 1.00 10.00 H new ATOM 0 HB3 TYR A 66 7.305 -6.823 -7.099 1.00 10.00 H new ATOM 0 HD1 TYR A 66 4.969 -4.979 -4.869 1.00 10.00 H new ATOM 0 HD2 TYR A 66 6.754 -8.785 -5.796 1.00 10.00 H new ATOM 0 HE1 TYR A 66 3.539 -6.075 -3.164 1.00 10.00 H new ATOM 0 HE2 TYR A 66 5.312 -9.877 -4.097 1.00 10.00 H new ATOM 0 HH TYR A 66 3.787 -9.605 -2.522 1.00 10.00 H new ATOM 1007 N LYS A 67 8.241 -3.206 -6.127 1.00 10.00 N ATOM 1008 CA LYS A 67 8.317 -1.782 -5.830 1.00 10.00 C ATOM 1009 C LYS A 67 6.928 -1.151 -5.909 1.00 10.00 C ATOM 1010 O LYS A 67 6.055 -1.616 -6.648 1.00 10.00 O ATOM 1011 CB LYS A 67 9.296 -1.104 -6.798 1.00 10.00 C ATOM 1012 CG LYS A 67 9.951 0.175 -6.256 1.00 10.00 C ATOM 1013 CD LYS A 67 10.767 0.831 -7.384 1.00 10.00 C ATOM 1014 CE LYS A 67 9.877 1.751 -8.244 1.00 10.00 C ATOM 1015 NZ LYS A 67 10.319 1.861 -9.651 1.00 10.00 N ATOM 0 H LYS A 67 8.319 -3.425 -7.120 1.00 10.00 H new ATOM 0 HA LYS A 67 8.688 -1.641 -4.815 1.00 10.00 H new ATOM 0 HB2 LYS A 67 10.080 -1.815 -7.058 1.00 10.00 H new ATOM 0 HB3 LYS A 67 8.766 -0.862 -7.719 1.00 10.00 H new ATOM 0 HG2 LYS A 67 9.189 0.864 -5.892 1.00 10.00 H new ATOM 0 HG3 LYS A 67 10.597 -0.061 -5.411 1.00 10.00 H new ATOM 0 HD2 LYS A 67 11.587 1.408 -6.957 1.00 10.00 H new ATOM 0 HD3 LYS A 67 11.213 0.059 -8.012 1.00 10.00 H new ATOM 0 HE2 LYS A 67 8.854 1.376 -8.222 1.00 10.00 H new ATOM 0 HE3 LYS A 67 9.861 2.746 -7.799 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 10.197 2.841 -9.978 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 11.322 1.595 -9.722 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 9.749 1.225 -10.245 1.00 10.00 H new ATOM 1029 N LEU A 68 6.761 -0.066 -5.154 1.00 10.00 N ATOM 1030 CA LEU A 68 5.549 0.721 -5.051 1.00 10.00 C ATOM 1031 C LEU A 68 5.903 2.170 -5.360 1.00 10.00 C ATOM 1032 O LEU A 68 7.020 2.604 -5.065 1.00 10.00 O ATOM 1033 CB LEU A 68 5.034 0.611 -3.608 1.00 10.00 C ATOM 1034 CG LEU A 68 3.646 1.234 -3.407 1.00 10.00 C ATOM 1035 CD1 LEU A 68 2.619 0.338 -4.085 1.00 10.00 C ATOM 1036 CD2 LEU A 68 3.281 1.433 -1.939 1.00 10.00 C ATOM 0 H LEU A 68 7.512 0.301 -4.570 1.00 10.00 H new ATOM 0 HA LEU A 68 4.785 0.370 -5.744 1.00 10.00 H new ATOM 0 HB2 LEU A 68 4.997 -0.440 -3.322 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.743 1.098 -2.939 1.00 10.00 H new ATOM 0 HG LEU A 68 3.657 2.229 -3.851 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.623 0.762 -3.955 1.00 10.00 H new ATOM 0 HD12 LEU A 68 2.846 0.265 -5.149 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.651 -0.656 -3.638 1.00 10.00 H new ATOM 0 HD21 LEU A 68 2.288 1.877 -1.868 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.285 0.470 -1.429 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.009 2.095 -1.470 1.00 10.00 H new ATOM 1048 N LYS A 69 4.950 2.941 -5.882 1.00 10.00 N ATOM 1049 CA LYS A 69 5.027 4.383 -5.888 1.00 10.00 C ATOM 1050 C LYS A 69 3.629 4.986 -5.928 1.00 10.00 C ATOM 1051 O LYS A 69 2.733 4.386 -6.510 1.00 10.00 O ATOM 1052 CB LYS A 69 5.875 4.839 -7.083 1.00 10.00 C ATOM 1053 CG LYS A 69 6.456 6.238 -6.870 1.00 10.00 C ATOM 1054 CD LYS A 69 7.210 6.256 -5.532 1.00 10.00 C ATOM 1055 CE LYS A 69 8.393 7.233 -5.512 1.00 10.00 C ATOM 1056 NZ LYS A 69 7.972 8.639 -5.681 1.00 10.00 N ATOM 0 H LYS A 69 4.102 2.571 -6.312 1.00 10.00 H new ATOM 0 HA LYS A 69 5.505 4.732 -4.973 1.00 10.00 H new ATOM 0 HB2 LYS A 69 6.687 4.130 -7.244 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.263 4.833 -7.985 1.00 10.00 H new ATOM 0 HG2 LYS A 69 7.129 6.497 -7.687 1.00 10.00 H new ATOM 0 HG3 LYS A 69 5.659 6.982 -6.866 1.00 10.00 H new ATOM 0 HD2 LYS A 69 6.515 6.522 -4.735 1.00 10.00 H new ATOM 0 HD3 LYS A 69 7.574 5.252 -5.315 1.00 10.00 H new ATOM 0 HE2 LYS A 69 8.929 7.129 -4.569 1.00 10.00 H new ATOM 0 HE3 LYS A 69 9.091 6.969 -6.306 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 8.808 9.257 -5.660 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 7.484 8.748 -6.593 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 7.327 8.903 -4.909 1.00 10.00 H new ATOM 1070 N LEU A 70 3.449 6.156 -5.301 1.00 10.00 N ATOM 1071 CA LEU A 70 2.180 6.881 -5.322 1.00 10.00 C ATOM 1072 C LEU A 70 1.791 7.209 -6.761 1.00 10.00 C ATOM 1073 O LEU A 70 2.644 7.295 -7.645 1.00 10.00 O ATOM 1074 CB LEU A 70 2.295 8.205 -4.554 1.00 10.00 C ATOM 1075 CG LEU A 70 0.978 8.808 -4.032 1.00 10.00 C ATOM 1076 CD1 LEU A 70 0.457 8.041 -2.817 1.00 10.00 C ATOM 1077 CD2 LEU A 70 1.216 10.266 -3.624 1.00 10.00 C ATOM 0 H LEU A 70 4.181 6.623 -4.766 1.00 10.00 H new ATOM 0 HA LEU A 70 1.428 6.246 -4.854 1.00 10.00 H new ATOM 0 HB2 LEU A 70 2.961 8.051 -3.705 1.00 10.00 H new ATOM 0 HB3 LEU A 70 2.772 8.938 -5.205 1.00 10.00 H new ATOM 0 HG LEU A 70 0.238 8.744 -4.830 1.00 10.00 H new ATOM 0 HD11 LEU A 70 -0.474 8.492 -2.473 1.00 10.00 H new ATOM 0 HD12 LEU A 70 0.276 7.002 -3.093 1.00 10.00 H new ATOM 0 HD13 LEU A 70 1.196 8.081 -2.017 1.00 10.00 H new ATOM 0 HD21 LEU A 70 0.286 10.697 -3.254 1.00 10.00 H new ATOM 0 HD22 LEU A 70 1.972 10.306 -2.839 1.00 10.00 H new ATOM 0 HD23 LEU A 70 1.560 10.834 -4.488 1.00 10.00 H new ATOM 1089 N LYS A 71 0.500 7.450 -6.951 1.00 10.00 N ATOM 1090 CA LYS A 71 -0.139 7.792 -8.191 1.00 10.00 C ATOM 1091 C LYS A 71 -0.719 9.201 -8.057 1.00 10.00 C ATOM 1092 O LYS A 71 -0.206 10.146 -8.649 1.00 10.00 O ATOM 1093 CB LYS A 71 -1.202 6.713 -8.389 1.00 10.00 C ATOM 1094 CG LYS A 71 -2.024 6.935 -9.650 1.00 10.00 C ATOM 1095 CD LYS A 71 -1.920 5.632 -10.437 1.00 10.00 C ATOM 1096 CE LYS A 71 -2.695 5.544 -11.750 1.00 10.00 C ATOM 1097 NZ LYS A 71 -2.316 4.289 -12.432 1.00 10.00 N ATOM 0 H LYS A 71 -0.166 7.405 -6.179 1.00 10.00 H new ATOM 0 HA LYS A 71 0.524 7.817 -9.056 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.720 5.737 -8.440 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -1.865 6.697 -7.524 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -3.061 7.165 -9.407 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.638 7.775 -10.228 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -0.867 5.452 -10.654 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -2.256 4.820 -9.792 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -3.768 5.563 -11.559 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -2.469 6.403 -12.382 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -2.973 4.109 -13.218 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -1.348 4.374 -12.802 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -2.360 3.500 -11.756 1.00 10.00 H new ATOM 1111 N GLY A 72 -1.784 9.329 -7.264 1.00 10.00 N ATOM 1112 CA GLY A 72 -2.467 10.591 -7.017 1.00 10.00 C ATOM 1113 C GLY A 72 -3.897 10.370 -6.522 1.00 10.00 C ATOM 1114 O GLY A 72 -4.805 11.069 -6.964 1.00 10.00 O ATOM 0 H GLY A 72 -2.201 8.541 -6.768 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -1.911 11.168 -6.278 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -2.486 11.181 -7.934 1.00 10.00 H new ATOM 1118 N GLU A 73 -4.071 9.422 -5.589 1.00 10.00 N ATOM 1119 CA GLU A 73 -5.313 9.178 -4.867 1.00 10.00 C ATOM 1120 C GLU A 73 -6.417 8.637 -5.789 1.00 10.00 C ATOM 1121 O GLU A 73 -6.309 8.681 -7.013 1.00 10.00 O ATOM 1122 CB GLU A 73 -5.721 10.412 -4.037 1.00 10.00 C ATOM 1123 CG GLU A 73 -4.527 11.150 -3.393 1.00 10.00 C ATOM 1124 CD GLU A 73 -4.931 12.503 -2.824 1.00 10.00 C ATOM 1125 OE1 GLU A 73 -6.111 12.634 -2.435 1.00 10.00 O ATOM 1126 OE2 GLU A 73 -4.048 13.389 -2.822 1.00 10.00 O ATOM 0 H GLU A 73 -3.322 8.787 -5.313 1.00 10.00 H new ATOM 0 HA GLU A 73 -5.144 8.380 -4.144 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -6.263 11.107 -4.678 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -6.410 10.099 -3.252 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -4.106 10.534 -2.598 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -3.743 11.289 -4.137 1.00 10.00 H new