USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 893 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 68 HIS : no HD1:sc= -0.0423 X(o=0.0056,f=-0.037) USER MOD Set 1.2: A 97 LYS NZ :NH3+ -159:sc= 0.0478 (180deg=0) USER MOD Set 2.1: A 94 LYS NZ :NH3+ -140:sc= 0 (180deg=-1.36!) USER MOD Set 2.2: A 103 THR OG1 : rot -141:sc= -3.47! USER MOD Set 3.1: A 40 HIS : no HD1:sc= -1.02! C(o=-1.2!,f=-13!) USER MOD Set 3.2: A 74 SER OG : rot 141:sc= -0.145 USER MOD Set 4.1: A 37 LYS NZ :NH3+ -178:sc= 0.018 (180deg=-0.219) USER MOD Set 4.2: A 67 HIS : no HD1:sc= -2.81! C(o=-2.8!,f=-7.4!) USER MOD Set 5.1: A 11 LYS NZ :NH3+ 161:sc= 0.0524 (180deg=-1.02) USER MOD Set 5.2: A 45 CYS SG : rot 18:sc= -0.799 USER MOD Single : A 4 LYS NZ :NH3+ -151:sc= -0.128 (180deg=-0.909) USER MOD Single : A 7 MET CE :methyl 162:sc= -0.268 (180deg=-1.44!) USER MOD Single : A 12 ASN : amide:sc= -1.48 X(o=-1.5,f=-1.8) USER MOD Single : A 19 LYS NZ :NH3+ -169:sc= -0.762 (180deg=-1) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -2.07! C(o=-4.6!,f=-2.1!) USER MOD Single : A 31 THR OG1 : rot -39:sc= 0.929 USER MOD Single : A 41 TYR OH : rot 152:sc= 0.14 USER MOD Single : A 47 GLN :FLIP amide:sc= -3.07! C(o=-5.3!,f=-3.1!) USER MOD Single : A 57 LYS NZ :NH3+ 143:sc= -0.598 (180deg=-1) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.54 F(o=-10!,f=-0.54) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -162:sc= -11.6! USER MOD Single : A 77 TYR OH : rot -140:sc= -0.109 USER MOD Single : A 80 HIS : no HD1:sc= -0.0111 K(o=-0.011,f=-2.3!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -160:sc= -2.72! USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -130:sc= -0.516 (180deg=-1.82) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0092! USER MOD Single : A 110 ASN :FLIP amide:sc= -3.9! C(o=-9.3!,f=-3.9!) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 163:sc= -0.873 (180deg=-1.21) USER MOD Single : A 118 GLN : amide:sc= -3.03! C(o=-3!,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -6.494 -8.487 86.263 1.00 0.00 N ATOM 44 CA LYS A 4 -6.539 -8.278 87.736 1.00 0.00 C ATOM 45 C LYS A 4 -5.982 -9.506 88.467 1.00 0.00 C ATOM 46 O LYS A 4 -4.907 -9.463 89.025 1.00 0.00 O ATOM 47 CB LYS A 4 -7.984 -8.030 88.164 1.00 0.00 C ATOM 48 CG LYS A 4 -8.476 -6.719 87.545 1.00 0.00 C ATOM 49 CD LYS A 4 -9.814 -6.327 88.178 1.00 0.00 C ATOM 50 CE LYS A 4 -10.166 -4.891 87.785 1.00 0.00 C ATOM 51 NZ LYS A 4 -9.139 -3.963 88.336 1.00 0.00 N ATOM 0 HA LYS A 4 -5.926 -7.414 87.994 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.617 -8.857 87.844 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.050 -7.980 89.251 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.741 -5.930 87.705 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.591 -6.834 86.467 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.598 -7.008 87.847 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.754 -6.414 89.263 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.210 -4.799 86.700 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.152 -4.629 88.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.572 -3.035 88.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.763 -4.350 89.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.365 -3.855 87.650 1.00 0.00 H new ATOM 65 N GLU A 5 -6.700 -10.597 88.478 1.00 0.00 N ATOM 66 CA GLU A 5 -6.200 -11.817 89.187 1.00 0.00 C ATOM 67 C GLU A 5 -4.720 -12.051 88.845 1.00 0.00 C ATOM 68 O GLU A 5 -3.877 -12.123 89.718 1.00 0.00 O ATOM 69 CB GLU A 5 -7.043 -13.030 88.757 1.00 0.00 C ATOM 70 CG GLU A 5 -6.645 -14.269 89.568 1.00 0.00 C ATOM 71 CD GLU A 5 -7.698 -15.368 89.383 1.00 0.00 C ATOM 72 OE1 GLU A 5 -8.772 -15.060 88.890 1.00 0.00 O ATOM 73 OE2 GLU A 5 -7.415 -16.502 89.738 1.00 0.00 O ATOM 0 H GLU A 5 -7.610 -10.699 88.028 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.289 -11.678 90.264 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.102 -12.816 88.903 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.901 -13.222 87.694 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.669 -14.629 89.244 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.556 -14.011 90.623 1.00 0.00 H new ATOM 80 N PHE A 6 -4.404 -12.168 87.584 1.00 0.00 N ATOM 81 CA PHE A 6 -2.986 -12.401 87.162 1.00 0.00 C ATOM 82 C PHE A 6 -2.080 -11.273 87.683 1.00 0.00 C ATOM 83 O PHE A 6 -1.144 -11.505 88.422 1.00 0.00 O ATOM 84 CB PHE A 6 -2.948 -12.439 85.628 1.00 0.00 C ATOM 85 CG PHE A 6 -1.588 -12.883 85.130 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.105 -14.162 85.438 1.00 0.00 C ATOM 87 CD2 PHE A 6 -0.815 -12.021 84.337 1.00 0.00 C ATOM 88 CE1 PHE A 6 0.146 -14.573 84.960 1.00 0.00 C ATOM 89 CE2 PHE A 6 0.434 -12.436 83.859 1.00 0.00 C ATOM 90 CZ PHE A 6 0.914 -13.710 84.170 1.00 0.00 C ATOM 0 H PHE A 6 -5.073 -12.112 86.817 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.623 -13.342 87.575 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -3.715 -13.120 85.258 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.180 -11.451 85.230 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.698 -14.831 86.044 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.184 -11.035 84.095 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.518 -15.558 85.202 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.027 -11.770 83.249 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.878 -14.029 83.801 1.00 0.00 H new ATOM 100 N MET A 7 -2.353 -10.056 87.297 1.00 0.00 N ATOM 101 CA MET A 7 -1.522 -8.901 87.753 1.00 0.00 C ATOM 102 C MET A 7 -1.568 -8.794 89.272 1.00 0.00 C ATOM 103 O MET A 7 -0.550 -8.736 89.934 1.00 0.00 O ATOM 104 CB MET A 7 -2.099 -7.634 87.133 1.00 0.00 C ATOM 105 CG MET A 7 -1.419 -6.392 87.709 1.00 0.00 C ATOM 106 SD MET A 7 -1.717 -4.976 86.614 1.00 0.00 S ATOM 107 CE MET A 7 -3.480 -5.264 86.302 1.00 0.00 C ATOM 0 H MET A 7 -3.125 -9.809 86.678 1.00 0.00 H new ATOM 0 HA MET A 7 -0.485 -9.039 87.447 1.00 0.00 H new ATOM 0 HB2 MET A 7 -1.965 -7.659 86.052 1.00 0.00 H new ATOM 0 HB3 MET A 7 -3.172 -7.587 87.321 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.806 -6.182 88.706 1.00 0.00 H new ATOM 0 HG3 MET A 7 -0.348 -6.566 87.813 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.936 -4.351 85.919 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.594 -6.062 85.568 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.971 -5.553 87.231 1.00 0.00 H new ATOM 117 N TRP A 8 -2.740 -8.750 89.833 1.00 0.00 N ATOM 118 CA TRP A 8 -2.843 -8.630 91.311 1.00 0.00 C ATOM 119 C TRP A 8 -1.945 -9.672 91.990 1.00 0.00 C ATOM 120 O TRP A 8 -1.408 -9.436 93.055 1.00 0.00 O ATOM 121 CB TRP A 8 -4.298 -8.825 91.748 1.00 0.00 C ATOM 122 CG TRP A 8 -4.477 -8.263 93.121 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.349 -8.966 94.266 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.807 -6.897 93.513 1.00 0.00 C ATOM 125 NE1 TRP A 8 -4.575 -8.123 95.338 1.00 0.00 N ATOM 126 CE2 TRP A 8 -4.860 -6.837 94.927 1.00 0.00 C ATOM 127 CE3 TRP A 8 -5.058 -5.714 92.790 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -5.154 -5.652 95.601 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -5.355 -4.519 93.465 1.00 0.00 C ATOM 130 CH2 TRP A 8 -5.400 -4.488 94.868 1.00 0.00 C ATOM 0 H TRP A 8 -3.629 -8.792 89.335 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.512 -7.635 91.610 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.970 -8.329 91.048 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.554 -9.884 91.739 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.109 -10.017 94.334 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.536 -8.416 96.314 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -5.022 -5.726 91.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -5.191 -5.634 96.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -5.550 -3.618 92.902 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -5.625 -3.564 95.381 1.00 0.00 H new ATOM 141 N ALA A 9 -1.764 -10.815 91.388 1.00 0.00 N ATOM 142 CA ALA A 9 -0.893 -11.842 92.002 1.00 0.00 C ATOM 143 C ALA A 9 0.559 -11.437 91.770 1.00 0.00 C ATOM 144 O ALA A 9 1.327 -11.292 92.699 1.00 0.00 O ATOM 145 CB ALA A 9 -1.168 -13.197 91.352 1.00 0.00 C ATOM 0 H ALA A 9 -2.184 -11.077 90.497 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.091 -11.920 93.071 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.527 -13.954 91.804 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.213 -13.468 91.504 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.961 -13.137 90.284 1.00 0.00 H new ATOM 151 N LEU A 10 0.919 -11.226 90.529 1.00 0.00 N ATOM 152 CA LEU A 10 2.308 -10.795 90.191 1.00 0.00 C ATOM 153 C LEU A 10 2.770 -9.775 91.228 1.00 0.00 C ATOM 154 O LEU A 10 3.919 -9.710 91.626 1.00 0.00 O ATOM 155 CB LEU A 10 2.287 -10.089 88.821 1.00 0.00 C ATOM 156 CG LEU A 10 2.309 -11.104 87.662 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.441 -10.610 86.494 1.00 0.00 C ATOM 158 CD2 LEU A 10 3.750 -11.293 87.172 1.00 0.00 C ATOM 0 H LEU A 10 0.300 -11.336 89.726 1.00 0.00 H new ATOM 0 HA LEU A 10 2.970 -11.660 90.173 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.395 -9.467 88.745 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.147 -9.424 88.740 1.00 0.00 H new ATOM 0 HG LEU A 10 1.910 -12.052 88.024 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.469 -11.340 85.685 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.413 -10.484 86.833 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.824 -9.655 86.134 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.764 -12.011 86.352 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.144 -10.338 86.825 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.367 -11.664 87.990 1.00 0.00 H new ATOM 170 N LYS A 11 1.858 -8.945 91.600 1.00 0.00 N ATOM 171 CA LYS A 11 2.136 -7.832 92.550 1.00 0.00 C ATOM 172 C LYS A 11 1.940 -8.246 94.018 1.00 0.00 C ATOM 173 O LYS A 11 2.834 -8.112 94.831 1.00 0.00 O ATOM 174 CB LYS A 11 1.132 -6.743 92.193 1.00 0.00 C ATOM 175 CG LYS A 11 0.920 -5.715 93.327 1.00 0.00 C ATOM 176 CD LYS A 11 2.254 -5.117 93.812 1.00 0.00 C ATOM 177 CE LYS A 11 2.003 -4.290 95.074 1.00 0.00 C ATOM 178 NZ LYS A 11 3.308 -3.904 95.683 1.00 0.00 N ATOM 0 H LYS A 11 0.891 -8.986 91.277 1.00 0.00 H new ATOM 0 HA LYS A 11 3.174 -7.510 92.462 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.473 -6.222 91.298 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.176 -7.206 91.947 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.269 -4.915 92.975 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.411 -6.195 94.163 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.969 -5.913 94.020 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.691 -4.492 93.033 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.426 -3.398 94.829 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.413 -4.865 95.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.166 -3.100 96.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.695 -4.710 96.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.975 -3.632 94.932 1.00 0.00 H new ATOM 192 N ASN A 12 0.763 -8.684 94.383 1.00 0.00 N ATOM 193 CA ASN A 12 0.506 -9.020 95.817 1.00 0.00 C ATOM 194 C ASN A 12 1.168 -10.331 96.215 1.00 0.00 C ATOM 195 O ASN A 12 0.758 -10.988 97.151 1.00 0.00 O ATOM 196 CB ASN A 12 -0.995 -9.120 96.053 1.00 0.00 C ATOM 197 CG ASN A 12 -1.264 -9.236 97.554 1.00 0.00 C ATOM 198 OD1 ASN A 12 -0.654 -8.544 98.344 1.00 0.00 O ATOM 199 ND2 ASN A 12 -2.153 -10.087 97.985 1.00 0.00 N ATOM 0 H ASN A 12 -0.028 -8.823 93.755 1.00 0.00 H new ATOM 0 HA ASN A 12 0.934 -8.227 96.430 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.498 -8.241 95.649 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.400 -9.987 95.531 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.336 -10.171 98.985 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.666 -10.669 97.322 1.00 0.00 H new ATOM 206 N GLY A 13 2.213 -10.687 95.550 1.00 0.00 N ATOM 207 CA GLY A 13 2.942 -11.921 95.921 1.00 0.00 C ATOM 208 C GLY A 13 2.020 -13.145 95.931 1.00 0.00 C ATOM 209 O GLY A 13 2.410 -14.192 96.407 1.00 0.00 O ATOM 0 H GLY A 13 2.601 -10.175 94.758 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.758 -12.086 95.218 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.391 -11.796 96.906 1.00 0.00 H new ATOM 213 N ASP A 14 0.817 -13.051 95.414 1.00 0.00 N ATOM 214 CA ASP A 14 -0.059 -14.253 95.409 1.00 0.00 C ATOM 215 C ASP A 14 0.538 -15.228 94.421 1.00 0.00 C ATOM 216 O ASP A 14 -0.058 -15.628 93.441 1.00 0.00 O ATOM 217 CB ASP A 14 -1.490 -13.906 95.005 1.00 0.00 C ATOM 218 CG ASP A 14 -1.867 -12.524 95.536 1.00 0.00 C ATOM 219 OD1 ASP A 14 -1.403 -12.174 96.609 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.621 -11.842 94.863 1.00 0.00 O ATOM 0 H ASP A 14 0.415 -12.208 95.004 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.110 -14.680 96.411 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.584 -13.925 93.919 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.178 -14.655 95.397 1.00 0.00 H new ATOM 225 N LEU A 15 1.745 -15.567 94.687 1.00 0.00 N ATOM 226 CA LEU A 15 2.501 -16.476 93.816 1.00 0.00 C ATOM 227 C LEU A 15 1.665 -17.730 93.525 1.00 0.00 C ATOM 228 O LEU A 15 1.754 -18.336 92.478 1.00 0.00 O ATOM 229 CB LEU A 15 3.806 -16.783 94.556 1.00 0.00 C ATOM 230 CG LEU A 15 4.741 -17.702 93.761 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.339 -19.175 93.910 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.744 -17.308 92.279 1.00 0.00 C ATOM 0 H LEU A 15 2.261 -15.240 95.504 1.00 0.00 H new ATOM 0 HA LEU A 15 2.728 -16.039 92.844 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.323 -15.848 94.774 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.574 -17.250 95.513 1.00 0.00 H new ATOM 0 HG LEU A 15 5.746 -17.582 94.166 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.022 -19.799 93.334 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.386 -19.460 94.961 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.323 -19.314 93.541 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.412 -17.970 91.728 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.735 -17.395 91.877 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.087 -16.278 92.177 1.00 0.00 H new ATOM 244 N ASP A 16 0.831 -18.097 94.433 1.00 0.00 N ATOM 245 CA ASP A 16 -0.035 -19.278 94.218 1.00 0.00 C ATOM 246 C ASP A 16 -0.942 -19.056 92.994 1.00 0.00 C ATOM 247 O ASP A 16 -1.303 -19.989 92.301 1.00 0.00 O ATOM 248 CB ASP A 16 -0.909 -19.458 95.454 1.00 0.00 C ATOM 249 CG ASP A 16 -0.026 -19.620 96.693 1.00 0.00 C ATOM 250 OD1 ASP A 16 0.659 -18.670 97.035 1.00 0.00 O ATOM 251 OD2 ASP A 16 -0.051 -20.690 97.279 1.00 0.00 O ATOM 0 H ASP A 16 0.706 -17.627 95.330 1.00 0.00 H new ATOM 0 HA ASP A 16 0.583 -20.159 94.046 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.566 -18.597 95.575 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.548 -20.333 95.335 1.00 0.00 H new ATOM 256 N GLU A 17 -1.335 -17.832 92.739 1.00 0.00 N ATOM 257 CA GLU A 17 -2.249 -17.552 91.582 1.00 0.00 C ATOM 258 C GLU A 17 -1.479 -17.576 90.252 1.00 0.00 C ATOM 259 O GLU A 17 -1.907 -18.189 89.291 1.00 0.00 O ATOM 260 CB GLU A 17 -2.900 -16.170 91.781 1.00 0.00 C ATOM 261 CG GLU A 17 -4.241 -16.312 92.509 1.00 0.00 C ATOM 262 CD GLU A 17 -4.068 -17.192 93.749 1.00 0.00 C ATOM 263 OE1 GLU A 17 -3.014 -17.121 94.358 1.00 0.00 O ATOM 264 OE2 GLU A 17 -4.993 -17.921 94.069 1.00 0.00 O ATOM 0 H GLU A 17 -1.063 -17.012 93.281 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.015 -18.326 91.543 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.234 -15.526 92.355 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.053 -15.690 90.814 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.614 -15.329 92.798 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.983 -16.750 91.841 1.00 0.00 H new ATOM 271 N VAL A 18 -0.348 -16.926 90.177 1.00 0.00 N ATOM 272 CA VAL A 18 0.420 -16.934 88.896 1.00 0.00 C ATOM 273 C VAL A 18 0.882 -18.365 88.641 1.00 0.00 C ATOM 274 O VAL A 18 1.045 -18.792 87.516 1.00 0.00 O ATOM 275 CB VAL A 18 1.660 -16.013 89.015 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.443 -14.671 88.330 1.00 0.00 C ATOM 277 CG2 VAL A 18 1.969 -15.753 90.480 1.00 0.00 C ATOM 0 H VAL A 18 0.075 -16.395 90.938 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.207 -16.574 88.080 1.00 0.00 H new ATOM 0 HB VAL A 18 2.488 -16.526 88.526 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.338 -14.058 88.439 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.240 -14.832 87.271 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.596 -14.161 88.789 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.842 -15.105 90.558 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.114 -15.269 90.952 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.173 -16.699 90.982 1.00 0.00 H new ATOM 287 N LYS A 19 1.089 -19.109 89.687 1.00 0.00 N ATOM 288 CA LYS A 19 1.539 -20.507 89.530 1.00 0.00 C ATOM 289 C LYS A 19 0.505 -21.290 88.731 1.00 0.00 C ATOM 290 O LYS A 19 0.832 -22.193 87.991 1.00 0.00 O ATOM 291 CB LYS A 19 1.733 -21.100 90.921 1.00 0.00 C ATOM 292 CG LYS A 19 2.459 -22.448 90.838 1.00 0.00 C ATOM 293 CD LYS A 19 3.170 -22.728 92.174 1.00 0.00 C ATOM 294 CE LYS A 19 4.577 -22.127 92.165 1.00 0.00 C ATOM 295 NZ LYS A 19 5.156 -22.210 93.536 1.00 0.00 N ATOM 0 H LYS A 19 0.963 -18.801 90.651 1.00 0.00 H new ATOM 0 HA LYS A 19 2.482 -20.555 88.986 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.307 -20.410 91.539 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.765 -21.232 91.404 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.748 -23.244 90.618 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.183 -22.434 90.024 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.592 -22.306 92.996 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.228 -23.803 92.344 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.210 -22.663 91.457 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.539 -21.089 91.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.026 -21.642 93.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.469 -21.845 94.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.378 -23.201 93.760 1.00 0.00 H new ATOM 309 N ASP A 20 -0.735 -20.937 88.863 1.00 0.00 N ATOM 310 CA ASP A 20 -1.803 -21.639 88.104 1.00 0.00 C ATOM 311 C ASP A 20 -1.712 -21.278 86.611 1.00 0.00 C ATOM 312 O ASP A 20 -1.937 -22.103 85.742 1.00 0.00 O ATOM 313 CB ASP A 20 -3.165 -21.208 88.656 1.00 0.00 C ATOM 314 CG ASP A 20 -4.245 -22.179 88.182 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.026 -23.375 88.287 1.00 0.00 O ATOM 316 OD2 ASP A 20 -5.272 -21.711 87.722 1.00 0.00 O ATOM 0 H ASP A 20 -1.061 -20.185 89.470 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.681 -22.717 88.212 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.136 -21.185 89.745 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.400 -20.197 88.322 1.00 0.00 H new ATOM 321 N TYR A 21 -1.400 -20.045 86.311 1.00 0.00 N ATOM 322 CA TYR A 21 -1.316 -19.602 84.884 1.00 0.00 C ATOM 323 C TYR A 21 -0.273 -20.410 84.103 1.00 0.00 C ATOM 324 O TYR A 21 -0.602 -21.096 83.154 1.00 0.00 O ATOM 325 CB TYR A 21 -0.936 -18.113 84.842 1.00 0.00 C ATOM 326 CG TYR A 21 -2.175 -17.266 85.019 1.00 0.00 C ATOM 327 CD1 TYR A 21 -2.916 -17.358 86.201 1.00 0.00 C ATOM 328 CD2 TYR A 21 -2.586 -16.397 84.001 1.00 0.00 C ATOM 329 CE1 TYR A 21 -4.067 -16.582 86.371 1.00 0.00 C ATOM 330 CE2 TYR A 21 -3.737 -15.618 84.170 1.00 0.00 C ATOM 331 CZ TYR A 21 -4.479 -15.712 85.354 1.00 0.00 C ATOM 332 OH TYR A 21 -5.615 -14.948 85.521 1.00 0.00 O ATOM 0 H TYR A 21 -1.198 -19.318 86.998 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.288 -19.764 84.419 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.215 -17.889 85.629 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.455 -17.877 83.893 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.599 -18.030 86.985 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.016 -16.328 83.086 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.637 -16.654 87.285 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.053 -14.944 83.387 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.760 -14.398 84.723 1.00 0.00 H new ATOM 342 N VAL A 22 0.981 -20.314 84.453 1.00 0.00 N ATOM 343 CA VAL A 22 2.008 -21.058 83.673 1.00 0.00 C ATOM 344 C VAL A 22 1.762 -22.557 83.802 1.00 0.00 C ATOM 345 O VAL A 22 2.268 -23.347 83.028 1.00 0.00 O ATOM 346 CB VAL A 22 3.433 -20.680 84.142 1.00 0.00 C ATOM 347 CG1 VAL A 22 3.902 -21.584 85.289 1.00 0.00 C ATOM 348 CG2 VAL A 22 4.408 -20.830 82.972 1.00 0.00 C ATOM 0 H VAL A 22 1.334 -19.761 85.234 1.00 0.00 H new ATOM 0 HA VAL A 22 1.927 -20.782 82.622 1.00 0.00 H new ATOM 0 HB VAL A 22 3.409 -19.649 84.496 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.907 -21.292 85.595 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.221 -21.482 86.134 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.912 -22.621 84.954 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.413 -20.564 83.300 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.401 -21.863 82.623 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.105 -20.170 82.159 1.00 0.00 H new ATOM 358 N ALA A 23 0.963 -22.956 84.747 1.00 0.00 N ATOM 359 CA ALA A 23 0.668 -24.399 84.893 1.00 0.00 C ATOM 360 C ALA A 23 0.107 -24.886 83.566 1.00 0.00 C ATOM 361 O ALA A 23 0.271 -26.026 83.175 1.00 0.00 O ATOM 362 CB ALA A 23 -0.384 -24.590 85.987 1.00 0.00 C ATOM 0 H ALA A 23 0.503 -22.345 85.422 1.00 0.00 H new ATOM 0 HA ALA A 23 1.567 -24.954 85.161 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.605 -25.652 86.098 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.004 -24.198 86.930 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.295 -24.057 85.713 1.00 0.00 H new ATOM 368 N LYS A 24 -0.554 -24.007 82.870 1.00 0.00 N ATOM 369 CA LYS A 24 -1.145 -24.371 81.558 1.00 0.00 C ATOM 370 C LYS A 24 -0.044 -24.845 80.601 1.00 0.00 C ATOM 371 O LYS A 24 0.185 -26.030 80.450 1.00 0.00 O ATOM 372 CB LYS A 24 -1.875 -23.158 80.971 1.00 0.00 C ATOM 373 CG LYS A 24 -3.286 -23.080 81.582 1.00 0.00 C ATOM 374 CD LYS A 24 -3.778 -21.638 81.557 1.00 0.00 C ATOM 375 CE LYS A 24 -3.844 -21.132 80.114 1.00 0.00 C ATOM 376 NZ LYS A 24 -4.429 -19.759 80.092 1.00 0.00 N ATOM 0 H LYS A 24 -0.711 -23.041 83.159 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.859 -25.183 81.695 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.321 -22.244 81.186 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.938 -23.245 79.886 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.971 -23.718 81.023 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.270 -23.451 82.607 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.763 -21.573 82.019 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.109 -21.007 82.142 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.846 -21.120 79.676 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.450 -21.806 79.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.473 -19.416 79.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.388 -19.784 80.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.834 -19.119 80.656 1.00 0.00 H new ATOM 390 N GLY A 25 0.639 -23.943 79.953 1.00 0.00 N ATOM 391 CA GLY A 25 1.711 -24.373 79.011 1.00 0.00 C ATOM 392 C GLY A 25 2.669 -23.220 78.695 1.00 0.00 C ATOM 393 O GLY A 25 2.551 -22.556 77.687 1.00 0.00 O ATOM 0 H GLY A 25 0.504 -22.935 80.033 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.268 -25.203 79.445 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.262 -24.739 78.088 1.00 0.00 H new ATOM 397 N GLU A 26 3.626 -23.012 79.555 1.00 0.00 N ATOM 398 CA GLU A 26 4.656 -21.937 79.361 1.00 0.00 C ATOM 399 C GLU A 26 4.085 -20.710 78.634 1.00 0.00 C ATOM 400 O GLU A 26 3.931 -20.689 77.430 1.00 0.00 O ATOM 401 CB GLU A 26 5.865 -22.493 78.586 1.00 0.00 C ATOM 402 CG GLU A 26 5.398 -23.468 77.502 1.00 0.00 C ATOM 403 CD GLU A 26 6.598 -23.891 76.653 1.00 0.00 C ATOM 404 OE1 GLU A 26 7.522 -23.105 76.535 1.00 0.00 O ATOM 405 OE2 GLU A 26 6.570 -24.995 76.133 1.00 0.00 O ATOM 0 H GLU A 26 3.745 -23.555 80.410 1.00 0.00 H new ATOM 0 HA GLU A 26 4.975 -21.612 80.351 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.423 -21.674 78.132 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.544 -22.999 79.272 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.934 -24.343 77.958 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.641 -22.997 76.874 1.00 0.00 H new ATOM 412 N ASP A 27 3.814 -19.671 79.375 1.00 0.00 N ATOM 413 CA ASP A 27 3.295 -18.408 78.778 1.00 0.00 C ATOM 414 C ASP A 27 3.837 -17.259 79.626 1.00 0.00 C ATOM 415 O ASP A 27 3.108 -16.401 80.082 1.00 0.00 O ATOM 416 CB ASP A 27 1.764 -18.414 78.808 1.00 0.00 C ATOM 417 CG ASP A 27 1.248 -19.532 77.902 1.00 0.00 C ATOM 418 OD1 ASP A 27 1.775 -19.670 76.809 1.00 0.00 O ATOM 419 OD2 ASP A 27 0.342 -20.235 78.315 1.00 0.00 O ATOM 0 H ASP A 27 3.933 -19.644 80.388 1.00 0.00 H new ATOM 0 HA ASP A 27 3.611 -18.302 77.740 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.409 -18.563 79.828 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.378 -17.451 78.473 1.00 0.00 H new ATOM 424 N VAL A 28 5.122 -17.280 79.871 1.00 0.00 N ATOM 425 CA VAL A 28 5.760 -16.242 80.726 1.00 0.00 C ATOM 426 C VAL A 28 6.345 -15.107 79.887 1.00 0.00 C ATOM 427 O VAL A 28 7.542 -14.922 79.794 1.00 0.00 O ATOM 428 CB VAL A 28 6.832 -16.927 81.561 1.00 0.00 C ATOM 429 CG1 VAL A 28 6.120 -17.898 82.492 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.806 -17.714 80.667 1.00 0.00 C ATOM 0 H VAL A 28 5.764 -17.985 79.508 1.00 0.00 H new ATOM 0 HA VAL A 28 5.015 -15.784 81.376 1.00 0.00 H new ATOM 0 HB VAL A 28 7.406 -16.182 82.113 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.854 -18.413 83.111 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.428 -17.349 83.130 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.567 -18.629 81.902 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.562 -18.194 81.288 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.257 -18.474 80.111 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.290 -17.032 79.968 1.00 0.00 H new ATOM 440 N ASN A 29 5.478 -14.338 79.292 1.00 0.00 N ATOM 441 CA ASN A 29 5.902 -13.190 78.460 1.00 0.00 C ATOM 442 C ASN A 29 4.639 -12.514 77.906 1.00 0.00 C ATOM 443 O ASN A 29 4.553 -12.193 76.739 1.00 0.00 O ATOM 444 CB ASN A 29 6.778 -13.690 77.310 1.00 0.00 C ATOM 445 CG ASN A 29 6.250 -15.032 76.807 1.00 0.00 C ATOM 446 OD1 ASN A 29 6.563 -16.124 77.445 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 5.548 -15.090 75.817 1.00 0.00 N flip ATOM 0 H ASN A 29 4.468 -14.465 79.352 1.00 0.00 H new ATOM 0 HA ASN A 29 6.478 -12.478 79.051 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.780 -12.962 76.499 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.810 -13.797 77.646 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.302 -14.236 75.316 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.205 -15.992 75.487 1.00 0.00 H new ATOM 454 N ARG A 30 3.651 -12.318 78.748 1.00 0.00 N ATOM 455 CA ARG A 30 2.373 -11.683 78.296 1.00 0.00 C ATOM 456 C ARG A 30 2.244 -10.285 78.887 1.00 0.00 C ATOM 457 O ARG A 30 2.153 -10.117 80.086 1.00 0.00 O ATOM 458 CB ARG A 30 1.180 -12.520 78.778 1.00 0.00 C ATOM 459 CG ARG A 30 1.262 -13.933 78.186 1.00 0.00 C ATOM 460 CD ARG A 30 -0.068 -14.699 78.413 1.00 0.00 C ATOM 461 NE ARG A 30 -0.586 -15.245 77.112 1.00 0.00 N ATOM 462 CZ ARG A 30 -0.745 -14.485 76.058 1.00 0.00 C ATOM 463 NH1 ARG A 30 -0.561 -13.197 76.137 1.00 0.00 N ATOM 464 NH2 ARG A 30 -1.119 -15.017 74.927 1.00 0.00 N ATOM 0 H ARG A 30 3.677 -12.573 79.735 1.00 0.00 H new ATOM 0 HA ARG A 30 2.382 -11.627 77.207 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.177 -12.572 79.867 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.246 -12.044 78.479 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.476 -13.874 77.119 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.085 -14.479 78.647 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.090 -15.514 79.120 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.808 -14.032 78.856 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.820 -16.236 77.049 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.291 -12.774 77.025 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.687 -12.612 75.311 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.286 -16.021 74.866 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.244 -14.429 74.103 1.00 0.00 H new ATOM 478 N THR A 31 2.205 -9.280 78.065 1.00 0.00 N ATOM 479 CA THR A 31 2.043 -7.906 78.610 1.00 0.00 C ATOM 480 C THR A 31 0.684 -7.813 79.298 1.00 0.00 C ATOM 481 O THR A 31 -0.323 -7.576 78.663 1.00 0.00 O ATOM 482 CB THR A 31 2.098 -6.880 77.483 1.00 0.00 C ATOM 483 OG1 THR A 31 3.407 -6.846 76.933 1.00 0.00 O ATOM 484 CG2 THR A 31 1.731 -5.497 78.027 1.00 0.00 C ATOM 0 H THR A 31 2.277 -9.346 77.050 1.00 0.00 H new ATOM 0 HA THR A 31 2.847 -7.701 79.316 1.00 0.00 H new ATOM 0 HB THR A 31 1.388 -7.160 76.705 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.066 -6.938 77.652 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.771 -4.766 77.219 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.723 -5.525 78.442 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.437 -5.214 78.808 1.00 0.00 H new ATOM 492 N LEU A 32 0.641 -8.001 80.583 1.00 0.00 N ATOM 493 CA LEU A 32 -0.670 -7.926 81.282 1.00 0.00 C ATOM 494 C LEU A 32 -1.096 -6.465 81.452 1.00 0.00 C ATOM 495 O LEU A 32 -2.259 -6.175 81.643 1.00 0.00 O ATOM 496 CB LEU A 32 -0.600 -8.655 82.642 1.00 0.00 C ATOM 497 CG LEU A 32 0.328 -7.971 83.679 1.00 0.00 C ATOM 498 CD1 LEU A 32 1.732 -7.728 83.111 1.00 0.00 C ATOM 499 CD2 LEU A 32 -0.273 -6.642 84.179 1.00 0.00 C ATOM 0 H LEU A 32 1.446 -8.201 81.176 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.424 -8.428 80.676 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.605 -8.722 83.058 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.254 -9.675 82.478 1.00 0.00 H new ATOM 0 HG LEU A 32 0.414 -8.655 84.523 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.352 -7.247 83.867 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.179 -8.680 82.827 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.663 -7.083 82.235 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.402 -6.188 84.905 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.409 -5.964 83.336 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.237 -6.833 84.650 1.00 0.00 H new ATOM 511 N GLU A 33 -0.178 -5.537 81.356 1.00 0.00 N ATOM 512 CA GLU A 33 -0.566 -4.097 81.493 1.00 0.00 C ATOM 513 C GLU A 33 -1.057 -3.561 80.146 1.00 0.00 C ATOM 514 O GLU A 33 -2.228 -3.644 79.822 1.00 0.00 O ATOM 515 CB GLU A 33 0.643 -3.281 81.967 1.00 0.00 C ATOM 516 CG GLU A 33 0.272 -1.776 82.051 1.00 0.00 C ATOM 517 CD GLU A 33 0.735 -1.195 83.391 1.00 0.00 C ATOM 518 OE1 GLU A 33 0.478 -1.816 84.406 1.00 0.00 O ATOM 519 OE2 GLU A 33 1.331 -0.129 83.378 1.00 0.00 O ATOM 0 H GLU A 33 0.814 -5.709 81.190 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.369 -4.009 82.225 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.972 -3.637 82.943 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.477 -3.420 81.279 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.738 -1.232 81.229 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.806 -1.652 81.945 1.00 0.00 H new ATOM 526 N GLY A 34 -0.171 -3.007 79.367 1.00 0.00 N ATOM 527 CA GLY A 34 -0.566 -2.452 78.042 1.00 0.00 C ATOM 528 C GLY A 34 0.657 -2.424 77.134 1.00 0.00 C ATOM 529 O GLY A 34 0.556 -2.444 75.923 1.00 0.00 O ATOM 0 H GLY A 34 0.819 -2.914 79.593 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.352 -3.062 77.597 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.971 -1.447 78.160 1.00 0.00 H new ATOM 533 N GLY A 35 1.811 -2.380 77.725 1.00 0.00 N ATOM 534 CA GLY A 35 3.070 -2.351 76.934 1.00 0.00 C ATOM 535 C GLY A 35 4.220 -2.822 77.829 1.00 0.00 C ATOM 536 O GLY A 35 5.371 -2.537 77.573 1.00 0.00 O ATOM 0 H GLY A 35 1.940 -2.363 78.737 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.982 -2.996 76.060 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.264 -1.343 76.568 1.00 0.00 H new ATOM 540 N ARG A 36 3.900 -3.524 78.889 1.00 0.00 N ATOM 541 CA ARG A 36 4.956 -4.004 79.832 1.00 0.00 C ATOM 542 C ARG A 36 5.007 -5.544 79.845 1.00 0.00 C ATOM 543 O ARG A 36 4.514 -6.197 78.948 1.00 0.00 O ATOM 544 CB ARG A 36 4.637 -3.485 81.242 1.00 0.00 C ATOM 545 CG ARG A 36 4.377 -1.959 81.196 1.00 0.00 C ATOM 546 CD ARG A 36 4.777 -1.303 82.535 1.00 0.00 C ATOM 547 NE ARG A 36 3.806 -0.214 82.898 1.00 0.00 N ATOM 548 CZ ARG A 36 3.474 0.730 82.050 1.00 0.00 C ATOM 549 NH1 ARG A 36 4.053 0.817 80.886 1.00 0.00 N ATOM 550 NH2 ARG A 36 2.578 1.615 82.395 1.00 0.00 N ATOM 0 H ARG A 36 2.947 -3.786 79.142 1.00 0.00 H new ATOM 0 HA ARG A 36 5.926 -3.629 79.506 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.762 -4.000 81.639 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.467 -3.701 81.915 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.945 -1.511 80.381 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.323 -1.769 80.992 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.800 -2.056 83.323 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.783 -0.891 82.459 1.00 0.00 H new ATOM 0 HE ARG A 36 3.393 -0.209 83.831 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.775 0.146 80.624 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.784 1.556 80.237 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.143 1.568 83.317 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.313 2.353 81.743 1.00 0.00 H new ATOM 564 N LYS A 37 5.624 -6.114 80.854 1.00 0.00 N ATOM 565 CA LYS A 37 5.743 -7.608 80.947 1.00 0.00 C ATOM 566 C LYS A 37 5.468 -8.042 82.419 1.00 0.00 C ATOM 567 O LYS A 37 5.350 -7.190 83.275 1.00 0.00 O ATOM 568 CB LYS A 37 7.160 -7.988 80.461 1.00 0.00 C ATOM 569 CG LYS A 37 8.202 -7.785 81.566 1.00 0.00 C ATOM 570 CD LYS A 37 8.158 -6.325 82.021 1.00 0.00 C ATOM 571 CE LYS A 37 9.349 -6.008 82.932 1.00 0.00 C ATOM 572 NZ LYS A 37 9.685 -4.557 82.836 1.00 0.00 N ATOM 0 H LYS A 37 6.055 -5.604 81.625 1.00 0.00 H new ATOM 0 HA LYS A 37 5.015 -8.126 80.322 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.169 -9.029 80.137 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.424 -7.382 79.594 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.996 -8.449 82.406 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.197 -8.036 81.198 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.173 -5.667 81.152 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.226 -6.132 82.552 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.110 -6.268 83.963 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.210 -6.610 82.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.514 -4.353 83.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.898 -4.315 81.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.877 -3.991 83.164 1.00 0.00 H new ATOM 586 N PRO A 38 5.315 -9.333 82.692 1.00 0.00 N ATOM 587 CA PRO A 38 4.996 -9.800 84.071 1.00 0.00 C ATOM 588 C PRO A 38 6.246 -9.905 84.991 1.00 0.00 C ATOM 589 O PRO A 38 6.268 -10.713 85.895 1.00 0.00 O ATOM 590 CB PRO A 38 4.409 -11.210 83.832 1.00 0.00 C ATOM 591 CG PRO A 38 4.902 -11.679 82.440 1.00 0.00 C ATOM 592 CD PRO A 38 5.401 -10.426 81.690 1.00 0.00 C ATOM 0 HA PRO A 38 4.330 -9.104 84.581 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.737 -11.900 84.609 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.320 -11.185 83.866 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.703 -12.412 82.542 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.096 -12.163 81.888 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.422 -10.558 81.333 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.783 -10.214 80.817 1.00 0.00 H new ATOM 600 N LEU A 39 7.279 -9.108 84.783 1.00 0.00 N ATOM 601 CA LEU A 39 8.503 -9.198 85.661 1.00 0.00 C ATOM 602 C LEU A 39 8.679 -7.903 86.486 1.00 0.00 C ATOM 603 O LEU A 39 9.319 -7.897 87.517 1.00 0.00 O ATOM 604 CB LEU A 39 9.718 -9.401 84.736 1.00 0.00 C ATOM 605 CG LEU A 39 10.978 -10.041 85.424 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.716 -10.649 86.813 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.513 -11.150 84.525 1.00 0.00 C ATOM 0 H LEU A 39 7.327 -8.403 84.047 1.00 0.00 H new ATOM 0 HA LEU A 39 8.404 -10.026 86.363 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.418 -10.034 83.901 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.002 -8.435 84.318 1.00 0.00 H new ATOM 0 HG LEU A 39 11.686 -9.225 85.566 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.642 -11.066 87.208 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.351 -9.874 87.486 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.969 -11.439 86.730 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.388 -11.604 84.989 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.742 -11.908 84.384 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.791 -10.732 83.558 1.00 0.00 H new ATOM 619 N HIS A 40 8.139 -6.804 86.036 1.00 0.00 N ATOM 620 CA HIS A 40 8.317 -5.520 86.793 1.00 0.00 C ATOM 621 C HIS A 40 7.597 -5.595 88.140 1.00 0.00 C ATOM 622 O HIS A 40 8.171 -5.328 89.179 1.00 0.00 O ATOM 623 CB HIS A 40 7.718 -4.368 85.978 1.00 0.00 C ATOM 624 CG HIS A 40 8.003 -3.053 86.657 1.00 0.00 C ATOM 625 ND1 HIS A 40 9.282 -2.679 87.037 1.00 0.00 N ATOM 626 CD2 HIS A 40 7.184 -2.012 87.021 1.00 0.00 C ATOM 627 CE1 HIS A 40 9.196 -1.459 87.602 1.00 0.00 C ATOM 628 NE2 HIS A 40 7.940 -1.007 87.618 1.00 0.00 N ATOM 0 H HIS A 40 7.584 -6.733 85.183 1.00 0.00 H new ATOM 0 HA HIS A 40 9.381 -5.354 86.961 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.139 -4.366 84.972 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.642 -4.507 85.873 1.00 0.00 H new ATOM 0 HD2 HIS A 40 6.116 -1.978 86.867 1.00 0.00 H new ATOM 0 HE1 HIS A 40 10.041 -0.913 87.995 1.00 0.00 H new ATOM 0 HE2 HIS A 40 7.606 -0.117 87.988 1.00 0.00 H new ATOM 636 N TYR A 41 6.351 -5.962 88.134 1.00 0.00 N ATOM 637 CA TYR A 41 5.594 -6.062 89.411 1.00 0.00 C ATOM 638 C TYR A 41 6.201 -7.189 90.230 1.00 0.00 C ATOM 639 O TYR A 41 6.342 -7.098 91.435 1.00 0.00 O ATOM 640 CB TYR A 41 4.134 -6.373 89.105 1.00 0.00 C ATOM 641 CG TYR A 41 3.736 -5.613 87.876 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.055 -6.123 86.614 1.00 0.00 C ATOM 643 CD2 TYR A 41 3.072 -4.388 87.996 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.700 -5.411 85.467 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.716 -3.678 86.850 1.00 0.00 C ATOM 646 CZ TYR A 41 3.034 -4.184 85.584 1.00 0.00 C ATOM 647 OH TYR A 41 2.690 -3.475 84.454 1.00 0.00 O ATOM 0 H TYR A 41 5.819 -6.199 87.296 1.00 0.00 H new ATOM 0 HA TYR A 41 5.647 -5.125 89.966 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.999 -7.443 88.949 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.502 -6.091 89.947 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.575 -7.066 86.527 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.836 -3.993 88.973 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.939 -5.806 84.490 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.194 -2.737 86.939 1.00 0.00 H new ATOM 0 HH TYR A 41 1.892 -2.937 84.636 1.00 0.00 H new ATOM 657 N ALA A 42 6.600 -8.244 89.575 1.00 0.00 N ATOM 658 CA ALA A 42 7.237 -9.358 90.306 1.00 0.00 C ATOM 659 C ALA A 42 8.539 -8.807 90.866 1.00 0.00 C ATOM 660 O ALA A 42 8.725 -8.673 92.054 1.00 0.00 O ATOM 661 CB ALA A 42 7.518 -10.518 89.330 1.00 0.00 C ATOM 0 H ALA A 42 6.510 -8.376 88.568 1.00 0.00 H new ATOM 0 HA ALA A 42 6.600 -9.740 91.103 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.988 -11.341 89.869 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.580 -10.860 88.892 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.184 -10.174 88.539 1.00 0.00 H new ATOM 667 N ALA A 43 9.418 -8.452 89.995 1.00 0.00 N ATOM 668 CA ALA A 43 10.714 -7.864 90.411 1.00 0.00 C ATOM 669 C ALA A 43 10.485 -6.735 91.429 1.00 0.00 C ATOM 670 O ALA A 43 10.915 -6.805 92.564 1.00 0.00 O ATOM 671 CB ALA A 43 11.368 -7.265 89.164 1.00 0.00 C ATOM 0 H ALA A 43 9.296 -8.544 88.986 1.00 0.00 H new ATOM 0 HA ALA A 43 11.340 -8.631 90.867 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.327 -6.822 89.433 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.526 -8.049 88.424 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.718 -6.497 88.746 1.00 0.00 H new ATOM 677 N ASP A 44 9.842 -5.684 91.004 1.00 0.00 N ATOM 678 CA ASP A 44 9.610 -4.505 91.894 1.00 0.00 C ATOM 679 C ASP A 44 8.822 -4.859 93.164 1.00 0.00 C ATOM 680 O ASP A 44 8.988 -4.221 94.184 1.00 0.00 O ATOM 681 CB ASP A 44 8.849 -3.429 91.114 1.00 0.00 C ATOM 682 CG ASP A 44 8.835 -2.127 91.920 1.00 0.00 C ATOM 683 OD1 ASP A 44 8.147 -2.082 92.926 1.00 0.00 O ATOM 684 OD2 ASP A 44 9.514 -1.195 91.518 1.00 0.00 O ATOM 0 H ASP A 44 9.460 -5.588 90.063 1.00 0.00 H new ATOM 0 HA ASP A 44 10.588 -4.143 92.212 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.321 -3.264 90.146 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.829 -3.759 90.919 1.00 0.00 H new ATOM 689 N CYS A 45 7.960 -5.842 93.126 1.00 0.00 N ATOM 690 CA CYS A 45 7.164 -6.178 94.351 1.00 0.00 C ATOM 691 C CYS A 45 6.631 -7.606 94.240 1.00 0.00 C ATOM 692 O CYS A 45 5.440 -7.832 94.288 1.00 0.00 O ATOM 693 CB CYS A 45 5.958 -5.242 94.445 1.00 0.00 C ATOM 694 SG CYS A 45 6.499 -3.557 94.828 1.00 0.00 S ATOM 0 H CYS A 45 7.772 -6.423 92.309 1.00 0.00 H new ATOM 0 HA CYS A 45 7.805 -6.074 95.227 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.409 -5.250 93.504 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.274 -5.596 95.216 1.00 0.00 H new ATOM 0 HG CYS A 45 7.767 -3.438 94.565 1.00 0.00 H new ATOM 700 N GLY A 46 7.502 -8.562 94.074 1.00 0.00 N ATOM 701 CA GLY A 46 7.049 -9.984 93.933 1.00 0.00 C ATOM 702 C GLY A 46 7.492 -10.816 95.134 1.00 0.00 C ATOM 703 O GLY A 46 7.764 -11.990 94.998 1.00 0.00 O ATOM 0 H GLY A 46 8.512 -8.424 94.029 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.963 -10.017 93.843 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.458 -10.412 93.018 1.00 0.00 H new ATOM 707 N GLN A 47 7.579 -10.236 96.301 1.00 0.00 N ATOM 708 CA GLN A 47 8.023 -11.039 97.479 1.00 0.00 C ATOM 709 C GLN A 47 9.294 -11.804 97.080 1.00 0.00 C ATOM 710 O GLN A 47 9.732 -12.733 97.737 1.00 0.00 O ATOM 711 CB GLN A 47 6.910 -12.005 97.877 1.00 0.00 C ATOM 712 CG GLN A 47 5.800 -11.243 98.617 1.00 0.00 C ATOM 713 CD GLN A 47 5.460 -9.934 97.888 1.00 0.00 C ATOM 714 OE1 GLN A 47 5.118 -9.962 96.627 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 5.504 -8.871 98.478 1.00 0.00 N flip ATOM 0 H GLN A 47 7.366 -9.256 96.489 1.00 0.00 H new ATOM 0 HA GLN A 47 8.239 -10.396 98.333 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.502 -12.490 96.990 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.311 -12.793 98.515 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.909 -11.867 98.688 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.119 -11.025 99.636 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.770 -8.845 99.462 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.274 -8.006 97.988 1.00 0.00 H new ATOM 724 N LEU A 48 9.881 -11.366 95.999 1.00 0.00 N ATOM 725 CA LEU A 48 11.141 -11.952 95.460 1.00 0.00 C ATOM 726 C LEU A 48 10.997 -13.446 95.137 1.00 0.00 C ATOM 727 O LEU A 48 11.948 -14.103 94.763 1.00 0.00 O ATOM 728 CB LEU A 48 12.270 -11.726 96.452 1.00 0.00 C ATOM 729 CG LEU A 48 12.768 -10.239 96.460 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.095 -9.325 95.407 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.526 -9.642 97.844 1.00 0.00 C ATOM 0 H LEU A 48 9.520 -10.590 95.444 1.00 0.00 H new ATOM 0 HA LEU A 48 11.370 -11.448 94.521 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.932 -11.999 97.452 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.103 -12.384 96.207 1.00 0.00 H new ATOM 0 HG LEU A 48 13.826 -10.278 96.203 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.502 -8.317 95.487 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.289 -9.716 94.408 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.020 -9.297 95.583 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.869 -8.608 97.859 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.461 -9.674 98.073 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.075 -10.217 98.590 1.00 0.00 H new ATOM 743 N GLU A 49 9.818 -13.962 95.228 1.00 0.00 N ATOM 744 CA GLU A 49 9.585 -15.387 94.868 1.00 0.00 C ATOM 745 C GLU A 49 8.963 -15.414 93.478 1.00 0.00 C ATOM 746 O GLU A 49 9.255 -16.262 92.660 1.00 0.00 O ATOM 747 CB GLU A 49 8.635 -16.029 95.879 1.00 0.00 C ATOM 748 CG GLU A 49 7.611 -14.995 96.342 1.00 0.00 C ATOM 749 CD GLU A 49 6.595 -15.659 97.271 1.00 0.00 C ATOM 750 OE1 GLU A 49 6.523 -16.877 97.265 1.00 0.00 O ATOM 751 OE2 GLU A 49 5.905 -14.939 97.974 1.00 0.00 O ATOM 0 H GLU A 49 8.989 -13.457 95.540 1.00 0.00 H new ATOM 0 HA GLU A 49 10.522 -15.945 94.878 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.128 -16.882 95.427 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.197 -16.408 96.733 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.113 -14.178 96.860 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.102 -14.561 95.481 1.00 0.00 H new ATOM 758 N ILE A 50 8.091 -14.479 93.225 1.00 0.00 N ATOM 759 CA ILE A 50 7.402 -14.411 91.914 1.00 0.00 C ATOM 760 C ILE A 50 8.399 -14.203 90.777 1.00 0.00 C ATOM 761 O ILE A 50 8.258 -14.783 89.725 1.00 0.00 O ATOM 762 CB ILE A 50 6.399 -13.254 91.934 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.462 -13.388 93.190 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.609 -13.244 90.624 1.00 0.00 C ATOM 765 CD1 ILE A 50 3.950 -13.401 92.844 1.00 0.00 C ATOM 0 H ILE A 50 7.825 -13.748 93.885 1.00 0.00 H new ATOM 0 HA ILE A 50 6.885 -15.355 91.744 1.00 0.00 H new ATOM 0 HB ILE A 50 6.921 -12.301 92.015 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.712 -14.306 93.722 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.662 -12.561 93.871 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.894 -12.421 90.636 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.295 -13.117 89.786 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.074 -14.187 90.515 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.368 -13.496 93.761 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.684 -12.472 92.340 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.734 -14.244 92.188 1.00 0.00 H new ATOM 777 N LEU A 51 9.390 -13.384 90.933 1.00 0.00 N ATOM 778 CA LEU A 51 10.307 -13.200 89.779 1.00 0.00 C ATOM 779 C LEU A 51 10.923 -14.560 89.406 1.00 0.00 C ATOM 780 O LEU A 51 10.809 -15.006 88.284 1.00 0.00 O ATOM 781 CB LEU A 51 11.400 -12.120 90.020 1.00 0.00 C ATOM 782 CG LEU A 51 11.583 -11.738 91.484 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.289 -11.142 92.082 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.050 -12.962 92.263 1.00 0.00 C ATOM 0 H LEU A 51 9.604 -12.850 91.775 1.00 0.00 H new ATOM 0 HA LEU A 51 9.719 -12.820 88.944 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.350 -12.486 89.629 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.144 -11.226 89.451 1.00 0.00 H new ATOM 0 HG LEU A 51 12.342 -10.959 91.557 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.457 -10.882 93.127 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.009 -10.247 91.526 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.486 -11.876 92.016 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.183 -12.697 93.312 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.304 -13.752 92.181 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.997 -13.314 91.854 1.00 0.00 H new ATOM 796 N GLU A 52 11.554 -15.244 90.316 1.00 0.00 N ATOM 797 CA GLU A 52 12.142 -16.575 89.965 1.00 0.00 C ATOM 798 C GLU A 52 11.107 -17.454 89.235 1.00 0.00 C ATOM 799 O GLU A 52 11.453 -18.276 88.409 1.00 0.00 O ATOM 800 CB GLU A 52 12.571 -17.321 91.242 1.00 0.00 C ATOM 801 CG GLU A 52 13.336 -16.396 92.184 1.00 0.00 C ATOM 802 CD GLU A 52 13.833 -17.196 93.390 1.00 0.00 C ATOM 803 OE1 GLU A 52 14.075 -18.381 93.233 1.00 0.00 O ATOM 804 OE2 GLU A 52 13.956 -16.608 94.452 1.00 0.00 O ATOM 0 H GLU A 52 11.690 -14.947 91.282 1.00 0.00 H new ATOM 0 HA GLU A 52 13.001 -16.394 89.319 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.691 -17.716 91.750 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.196 -18.174 90.977 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.179 -15.943 91.662 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.691 -15.582 92.515 1.00 0.00 H new ATOM 811 N PHE A 53 9.849 -17.320 89.569 1.00 0.00 N ATOM 812 CA PHE A 53 8.791 -18.179 88.952 1.00 0.00 C ATOM 813 C PHE A 53 8.701 -17.998 87.432 1.00 0.00 C ATOM 814 O PHE A 53 9.260 -18.767 86.676 1.00 0.00 O ATOM 815 CB PHE A 53 7.451 -17.842 89.618 1.00 0.00 C ATOM 816 CG PHE A 53 6.284 -18.389 88.841 1.00 0.00 C ATOM 817 CD1 PHE A 53 5.966 -19.747 88.914 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.493 -17.524 88.075 1.00 0.00 C ATOM 819 CE1 PHE A 53 4.856 -20.233 88.222 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.392 -18.016 87.379 1.00 0.00 C ATOM 821 CZ PHE A 53 4.074 -19.364 87.453 1.00 0.00 C ATOM 0 H PHE A 53 9.505 -16.644 90.251 1.00 0.00 H new ATOM 0 HA PHE A 53 9.049 -19.225 89.118 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.436 -18.248 90.629 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.352 -16.760 89.708 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.575 -20.417 89.502 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.737 -16.473 88.024 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.600 -21.281 88.280 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.787 -17.349 86.783 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.219 -19.745 86.915 1.00 0.00 H new ATOM 831 N LEU A 54 7.960 -17.032 86.974 1.00 0.00 N ATOM 832 CA LEU A 54 7.787 -16.865 85.502 1.00 0.00 C ATOM 833 C LEU A 54 9.137 -16.760 84.772 1.00 0.00 C ATOM 834 O LEU A 54 9.199 -16.797 83.559 1.00 0.00 O ATOM 835 CB LEU A 54 6.883 -15.645 85.221 1.00 0.00 C ATOM 836 CG LEU A 54 7.544 -14.285 85.534 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.352 -14.365 86.808 1.00 0.00 C ATOM 838 CD2 LEU A 54 8.444 -13.800 84.387 1.00 0.00 C ATOM 0 H LEU A 54 7.467 -16.351 87.551 1.00 0.00 H new ATOM 0 HA LEU A 54 7.299 -17.756 85.107 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.587 -15.660 84.172 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.971 -15.738 85.811 1.00 0.00 H new ATOM 0 HG LEU A 54 6.736 -13.564 85.658 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.809 -13.396 87.010 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.699 -14.638 87.637 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.132 -15.118 86.698 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.887 -12.840 84.653 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.235 -14.529 84.212 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.849 -13.687 83.481 1.00 0.00 H new ATOM 850 N LEU A 55 10.211 -16.651 85.497 1.00 0.00 N ATOM 851 CA LEU A 55 11.562 -16.552 84.857 1.00 0.00 C ATOM 852 C LEU A 55 12.185 -17.941 84.725 1.00 0.00 C ATOM 853 O LEU A 55 12.786 -18.273 83.721 1.00 0.00 O ATOM 854 CB LEU A 55 12.440 -15.665 85.757 1.00 0.00 C ATOM 855 CG LEU A 55 13.529 -14.975 84.936 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.316 -14.026 85.846 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.472 -16.028 84.337 1.00 0.00 C ATOM 0 H LEU A 55 10.218 -16.625 86.517 1.00 0.00 H new ATOM 0 HA LEU A 55 11.479 -16.122 83.859 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.822 -14.917 86.253 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.896 -16.271 86.540 1.00 0.00 H new ATOM 0 HG LEU A 55 13.074 -14.407 84.124 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.095 -13.530 85.267 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.641 -13.278 86.262 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.772 -14.594 86.657 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.247 -15.532 83.752 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.935 -16.601 85.140 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.905 -16.699 83.692 1.00 0.00 H new ATOM 869 N LEU A 56 12.061 -18.762 85.719 1.00 0.00 N ATOM 870 CA LEU A 56 12.678 -20.111 85.603 1.00 0.00 C ATOM 871 C LEU A 56 12.061 -20.856 84.426 1.00 0.00 C ATOM 872 O LEU A 56 12.703 -21.664 83.784 1.00 0.00 O ATOM 873 CB LEU A 56 12.534 -20.903 86.912 1.00 0.00 C ATOM 874 CG LEU A 56 11.098 -21.449 87.099 1.00 0.00 C ATOM 875 CD1 LEU A 56 11.001 -22.899 86.595 1.00 0.00 C ATOM 876 CD2 LEU A 56 10.732 -21.444 88.591 1.00 0.00 C ATOM 0 H LEU A 56 11.571 -18.569 86.592 1.00 0.00 H new ATOM 0 HA LEU A 56 13.746 -19.997 85.419 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.241 -21.732 86.915 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.792 -20.262 87.755 1.00 0.00 H new ATOM 0 HG LEU A 56 10.418 -20.813 86.532 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.984 -23.266 86.735 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.257 -22.934 85.536 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.693 -23.526 87.157 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.720 -21.829 88.719 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.432 -22.074 89.139 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.784 -20.425 88.975 1.00 0.00 H new ATOM 888 N LYS A 57 10.835 -20.566 84.108 1.00 0.00 N ATOM 889 CA LYS A 57 10.197 -21.231 82.947 1.00 0.00 C ATOM 890 C LYS A 57 10.811 -20.611 81.687 1.00 0.00 C ATOM 891 O LYS A 57 11.926 -20.923 81.320 1.00 0.00 O ATOM 892 CB LYS A 57 8.679 -20.999 83.002 1.00 0.00 C ATOM 893 CG LYS A 57 7.999 -22.114 83.827 1.00 0.00 C ATOM 894 CD LYS A 57 7.590 -23.272 82.912 1.00 0.00 C ATOM 895 CE LYS A 57 7.189 -24.477 83.767 1.00 0.00 C ATOM 896 NZ LYS A 57 6.140 -24.065 84.739 1.00 0.00 N ATOM 0 H LYS A 57 10.247 -19.896 84.603 1.00 0.00 H new ATOM 0 HA LYS A 57 10.365 -22.308 82.950 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.468 -20.027 83.447 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.269 -20.982 81.992 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.680 -22.473 84.598 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.122 -21.716 84.337 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.758 -22.971 82.275 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.416 -23.538 82.253 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.816 -25.280 83.131 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.058 -24.867 84.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.454 -24.837 84.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.581 -23.851 85.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.651 -23.219 84.384 1.00 0.00 H new ATOM 910 N GLY A 58 10.131 -19.702 81.050 1.00 0.00 N ATOM 911 CA GLY A 58 10.737 -19.047 79.864 1.00 0.00 C ATOM 912 C GLY A 58 11.824 -18.110 80.377 1.00 0.00 C ATOM 913 O GLY A 58 12.774 -18.549 80.991 1.00 0.00 O ATOM 0 H GLY A 58 9.192 -19.388 81.296 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.157 -19.790 79.186 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.984 -18.493 79.303 1.00 0.00 H new ATOM 917 N ALA A 59 11.683 -16.828 80.173 1.00 0.00 N ATOM 918 CA ALA A 59 12.707 -15.877 80.702 1.00 0.00 C ATOM 919 C ALA A 59 12.528 -14.497 80.098 1.00 0.00 C ATOM 920 O ALA A 59 13.187 -14.107 79.156 1.00 0.00 O ATOM 921 CB ALA A 59 14.115 -16.391 80.426 1.00 0.00 C ATOM 0 H ALA A 59 10.909 -16.399 79.666 1.00 0.00 H new ATOM 0 HA ALA A 59 12.568 -15.803 81.781 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.844 -15.683 80.820 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.251 -17.358 80.910 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.258 -16.500 79.351 1.00 0.00 H new ATOM 927 N ASP A 60 11.655 -13.745 80.683 1.00 0.00 N ATOM 928 CA ASP A 60 11.422 -12.358 80.227 1.00 0.00 C ATOM 929 C ASP A 60 12.560 -11.506 80.794 1.00 0.00 C ATOM 930 O ASP A 60 12.621 -10.302 80.638 1.00 0.00 O ATOM 931 CB ASP A 60 10.072 -11.877 80.762 1.00 0.00 C ATOM 932 CG ASP A 60 9.612 -10.658 79.968 1.00 0.00 C ATOM 933 OD1 ASP A 60 10.321 -9.666 79.983 1.00 0.00 O ATOM 934 OD2 ASP A 60 8.558 -10.735 79.359 1.00 0.00 O ATOM 0 H ASP A 60 11.081 -14.037 81.474 1.00 0.00 H new ATOM 0 HA ASP A 60 11.402 -12.287 79.139 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.333 -12.675 80.684 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.157 -11.624 81.819 1.00 0.00 H new ATOM 939 N ILE A 61 13.449 -12.175 81.467 1.00 0.00 N ATOM 940 CA ILE A 61 14.631 -11.540 82.114 1.00 0.00 C ATOM 941 C ILE A 61 15.365 -10.603 81.162 1.00 0.00 C ATOM 942 O ILE A 61 16.082 -9.714 81.575 1.00 0.00 O ATOM 943 CB ILE A 61 15.572 -12.679 82.481 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.704 -12.162 83.360 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.151 -13.287 81.198 1.00 0.00 C ATOM 946 CD1 ILE A 61 17.700 -13.295 83.637 1.00 0.00 C ATOM 0 H ILE A 61 13.402 -13.185 81.602 1.00 0.00 H new ATOM 0 HA ILE A 61 14.309 -10.952 82.973 1.00 0.00 H new ATOM 0 HB ILE A 61 15.019 -13.439 83.032 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.210 -11.332 82.867 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.303 -11.779 84.299 1.00 0.00 H new ATOM 0 HG21 ILE A 61 16.826 -14.104 81.455 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.340 -13.668 80.578 1.00 0.00 H new ATOM 0 HG23 ILE A 61 16.699 -12.522 80.648 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.509 -12.923 84.266 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.189 -14.111 84.148 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.111 -13.657 82.694 1.00 0.00 H new ATOM 958 N ASN A 62 15.218 -10.829 79.898 1.00 0.00 N ATOM 959 CA ASN A 62 15.929 -9.997 78.888 1.00 0.00 C ATOM 960 C ASN A 62 14.959 -9.632 77.763 1.00 0.00 C ATOM 961 O ASN A 62 15.089 -8.599 77.137 1.00 0.00 O ATOM 962 CB ASN A 62 17.130 -10.784 78.354 1.00 0.00 C ATOM 963 CG ASN A 62 16.685 -12.160 77.834 1.00 0.00 C ATOM 964 OD1 ASN A 62 15.487 -12.609 78.113 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 17.443 -12.835 77.163 1.00 0.00 N flip ATOM 0 H ASN A 62 14.628 -11.564 79.509 1.00 0.00 H new ATOM 0 HA ASN A 62 16.292 -9.073 79.338 1.00 0.00 H new ATOM 0 HB2 ASN A 62 17.611 -10.224 77.552 1.00 0.00 H new ATOM 0 HB3 ASN A 62 17.870 -10.909 79.144 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.377 -12.488 76.944 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.145 -13.748 76.819 1.00 0.00 H new ATOM 972 N ALA A 63 13.970 -10.465 77.546 1.00 0.00 N ATOM 973 CA ALA A 63 12.926 -10.214 76.484 1.00 0.00 C ATOM 974 C ALA A 63 12.876 -8.733 76.028 1.00 0.00 C ATOM 975 O ALA A 63 13.089 -8.478 74.852 1.00 0.00 O ATOM 976 CB ALA A 63 11.531 -10.639 77.008 1.00 0.00 C ATOM 0 H ALA A 63 13.834 -11.330 78.069 1.00 0.00 H new ATOM 0 HA ALA A 63 13.206 -10.812 75.616 1.00 0.00 H new ATOM 0 HB1 ALA A 63 10.782 -10.456 76.238 1.00 0.00 H new ATOM 0 HB2 ALA A 63 11.544 -11.700 77.257 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.285 -10.060 77.898 1.00 0.00 H new ATOM 982 N PRO A 64 12.587 -7.800 76.930 1.00 0.00 N ATOM 983 CA PRO A 64 12.469 -6.369 76.624 1.00 0.00 C ATOM 984 C PRO A 64 12.923 -5.940 75.238 1.00 0.00 C ATOM 985 O PRO A 64 13.963 -6.285 74.730 1.00 0.00 O ATOM 986 CB PRO A 64 13.264 -5.744 77.767 1.00 0.00 C ATOM 987 CG PRO A 64 13.037 -6.714 78.970 1.00 0.00 C ATOM 988 CD PRO A 64 12.412 -8.010 78.378 1.00 0.00 C ATOM 0 HA PRO A 64 11.430 -6.042 76.571 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.322 -5.661 77.517 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.910 -4.738 77.994 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.978 -6.932 79.475 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.374 -6.266 79.710 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.926 -8.906 78.725 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.362 -8.118 78.651 1.00 0.00 H new ATOM 996 N ASP A 65 12.076 -5.143 74.638 1.00 0.00 N ATOM 997 CA ASP A 65 12.326 -4.597 73.284 1.00 0.00 C ATOM 998 C ASP A 65 11.705 -3.202 73.252 1.00 0.00 C ATOM 999 O ASP A 65 12.231 -2.279 72.664 1.00 0.00 O ATOM 1000 CB ASP A 65 11.652 -5.488 72.242 1.00 0.00 C ATOM 1001 CG ASP A 65 12.533 -6.708 71.964 1.00 0.00 C ATOM 1002 OD1 ASP A 65 13.388 -6.617 71.099 1.00 0.00 O ATOM 1003 OD2 ASP A 65 12.337 -7.714 72.626 1.00 0.00 O ATOM 0 H ASP A 65 11.193 -4.843 75.052 1.00 0.00 H new ATOM 0 HA ASP A 65 13.392 -4.557 73.063 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.673 -5.807 72.600 1.00 0.00 H new ATOM 0 HB3 ASP A 65 11.487 -4.928 71.321 1.00 0.00 H new ATOM 1008 N LYS A 66 10.583 -3.064 73.904 1.00 0.00 N ATOM 1009 CA LYS A 66 9.879 -1.769 73.973 1.00 0.00 C ATOM 1010 C LYS A 66 10.343 -1.019 75.231 1.00 0.00 C ATOM 1011 O LYS A 66 10.457 0.189 75.243 1.00 0.00 O ATOM 1012 CB LYS A 66 8.386 -2.072 74.050 1.00 0.00 C ATOM 1013 CG LYS A 66 7.578 -0.883 73.546 1.00 0.00 C ATOM 1014 CD LYS A 66 7.772 0.330 74.475 1.00 0.00 C ATOM 1015 CE LYS A 66 6.522 1.219 74.445 1.00 0.00 C ATOM 1016 NZ LYS A 66 5.502 0.672 75.381 1.00 0.00 N ATOM 0 H LYS A 66 10.118 -3.822 74.403 1.00 0.00 H new ATOM 0 HA LYS A 66 10.090 -1.147 73.103 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.156 -2.955 73.454 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.107 -2.300 75.079 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.889 -0.627 72.533 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.522 -1.147 73.498 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.963 -0.008 75.493 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.644 0.904 74.161 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.781 2.239 74.728 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.117 1.262 73.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.654 1.274 75.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.247 -0.294 75.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.891 0.653 76.345 1.00 0.00 H new ATOM 1030 N HIS A 67 10.633 -1.738 76.283 1.00 0.00 N ATOM 1031 CA HIS A 67 11.102 -1.082 77.536 1.00 0.00 C ATOM 1032 C HIS A 67 12.558 -0.671 77.364 1.00 0.00 C ATOM 1033 O HIS A 67 13.087 0.108 78.131 1.00 0.00 O ATOM 1034 CB HIS A 67 11.007 -2.074 78.708 1.00 0.00 C ATOM 1035 CG HIS A 67 9.622 -2.049 79.304 1.00 0.00 C ATOM 1036 ND1 HIS A 67 9.361 -2.537 80.576 1.00 0.00 N ATOM 1037 CD2 HIS A 67 8.419 -1.587 78.827 1.00 0.00 C ATOM 1038 CE1 HIS A 67 8.051 -2.358 80.820 1.00 0.00 C ATOM 1039 NE2 HIS A 67 7.430 -1.783 79.787 1.00 0.00 N ATOM 0 H HIS A 67 10.565 -2.755 76.327 1.00 0.00 H new ATOM 0 HA HIS A 67 10.482 -0.210 77.742 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.243 -3.080 78.362 1.00 0.00 H new ATOM 0 HB3 HIS A 67 11.743 -1.818 79.470 1.00 0.00 H new ATOM 0 HD2 HIS A 67 8.264 -1.140 77.856 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.561 -2.644 81.739 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.442 -1.539 79.716 1.00 0.00 H new ATOM 1047 N HIS A 68 13.220 -1.187 76.369 1.00 0.00 N ATOM 1048 CA HIS A 68 14.643 -0.818 76.180 1.00 0.00 C ATOM 1049 C HIS A 68 15.372 -1.033 77.513 1.00 0.00 C ATOM 1050 O HIS A 68 16.383 -0.414 77.788 1.00 0.00 O ATOM 1051 CB HIS A 68 14.710 0.657 75.760 1.00 0.00 C ATOM 1052 CG HIS A 68 16.034 0.972 75.109 1.00 0.00 C ATOM 1053 ND1 HIS A 68 16.269 0.751 73.759 1.00 0.00 N ATOM 1054 CD2 HIS A 68 17.185 1.534 75.602 1.00 0.00 C ATOM 1055 CE1 HIS A 68 17.518 1.177 73.489 1.00 0.00 C ATOM 1056 NE2 HIS A 68 18.121 1.664 74.578 1.00 0.00 N ATOM 0 H HIS A 68 12.840 -1.842 75.686 1.00 0.00 H new ATOM 0 HA HIS A 68 15.114 -1.428 75.409 1.00 0.00 H new ATOM 0 HB2 HIS A 68 13.898 0.879 75.068 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.569 1.295 76.633 1.00 0.00 H new ATOM 0 HD2 HIS A 68 17.342 1.831 76.629 1.00 0.00 H new ATOM 0 HE1 HIS A 68 17.976 1.131 72.512 1.00 0.00 H new ATOM 0 HE2 HIS A 68 19.064 2.048 74.645 1.00 0.00 H new ATOM 1064 N ILE A 69 14.861 -1.919 78.344 1.00 0.00 N ATOM 1065 CA ILE A 69 15.515 -2.184 79.660 1.00 0.00 C ATOM 1066 C ILE A 69 15.350 -3.627 80.064 1.00 0.00 C ATOM 1067 O ILE A 69 14.611 -4.403 79.497 1.00 0.00 O ATOM 1068 CB ILE A 69 14.968 -1.227 80.763 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.143 -0.494 81.413 1.00 0.00 C ATOM 1070 CG2 ILE A 69 14.159 -1.958 81.873 1.00 0.00 C ATOM 1071 CD1 ILE A 69 17.068 -1.467 82.139 1.00 0.00 C ATOM 0 H ILE A 69 14.020 -2.466 78.162 1.00 0.00 H new ATOM 0 HA ILE A 69 16.581 -1.987 79.548 1.00 0.00 H new ATOM 0 HB ILE A 69 14.284 -0.536 80.270 1.00 0.00 H new ATOM 0 HG12 ILE A 69 16.705 0.046 80.651 1.00 0.00 H new ATOM 0 HG13 ILE A 69 15.767 0.248 82.117 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.809 -1.232 82.606 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.303 -2.464 81.426 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.797 -2.692 82.365 1.00 0.00 H new ATOM 0 HD11 ILE A 69 17.893 -0.916 82.591 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.510 -1.987 82.917 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.462 -2.193 81.428 1.00 0.00 H new ATOM 1083 N THR A 70 16.130 -3.956 81.018 1.00 0.00 N ATOM 1084 CA THR A 70 16.209 -5.298 81.576 1.00 0.00 C ATOM 1085 C THR A 70 15.638 -5.171 83.007 1.00 0.00 C ATOM 1086 O THR A 70 15.903 -4.184 83.652 1.00 0.00 O ATOM 1087 CB THR A 70 17.690 -5.629 81.575 1.00 0.00 C ATOM 1088 OG1 THR A 70 18.245 -5.212 82.790 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.367 -4.805 80.514 1.00 0.00 C ATOM 0 H THR A 70 16.764 -3.294 81.466 1.00 0.00 H new ATOM 0 HA THR A 70 15.663 -6.075 81.041 1.00 0.00 H new ATOM 0 HB THR A 70 17.820 -6.699 81.410 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.219 -5.152 82.701 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.433 -5.032 80.502 1.00 0.00 H new ATOM 0 HG22 THR A 70 17.935 -5.039 79.541 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.224 -3.746 80.730 1.00 0.00 H new ATOM 1097 N PRO A 71 14.827 -6.076 83.455 1.00 0.00 N ATOM 1098 CA PRO A 71 14.190 -5.936 84.783 1.00 0.00 C ATOM 1099 C PRO A 71 15.170 -5.996 85.950 1.00 0.00 C ATOM 1100 O PRO A 71 14.834 -5.613 87.054 1.00 0.00 O ATOM 1101 CB PRO A 71 13.184 -7.099 84.836 1.00 0.00 C ATOM 1102 CG PRO A 71 13.121 -7.657 83.403 1.00 0.00 C ATOM 1103 CD PRO A 71 14.439 -7.288 82.734 1.00 0.00 C ATOM 0 HA PRO A 71 13.728 -4.955 84.891 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.507 -7.865 85.541 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.204 -6.755 85.166 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.981 -8.738 83.414 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.278 -7.232 82.858 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.183 -8.078 82.838 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.316 -7.104 81.667 1.00 0.00 H new ATOM 1111 N LEU A 72 16.361 -6.465 85.765 1.00 0.00 N ATOM 1112 CA LEU A 72 17.264 -6.508 86.935 1.00 0.00 C ATOM 1113 C LEU A 72 17.404 -5.082 87.479 1.00 0.00 C ATOM 1114 O LEU A 72 17.461 -4.869 88.675 1.00 0.00 O ATOM 1115 CB LEU A 72 18.649 -7.096 86.567 1.00 0.00 C ATOM 1116 CG LEU A 72 18.600 -8.007 85.322 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.533 -9.110 85.449 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.350 -7.139 84.073 1.00 0.00 C ATOM 0 H LEU A 72 16.742 -6.811 84.884 1.00 0.00 H new ATOM 0 HA LEU A 72 16.841 -7.163 87.696 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.349 -6.280 86.387 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.034 -7.665 87.413 1.00 0.00 H new ATOM 0 HG LEU A 72 19.559 -8.516 85.230 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.537 -9.725 84.549 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.755 -9.733 86.315 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.551 -8.654 85.573 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.314 -7.775 83.189 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.402 -6.612 84.180 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.157 -6.414 83.966 1.00 0.00 H new ATOM 1130 N LEU A 73 17.421 -4.101 86.614 1.00 0.00 N ATOM 1131 CA LEU A 73 17.521 -2.691 87.094 1.00 0.00 C ATOM 1132 C LEU A 73 16.192 -2.297 87.722 1.00 0.00 C ATOM 1133 O LEU A 73 16.100 -1.372 88.502 1.00 0.00 O ATOM 1134 CB LEU A 73 17.844 -1.743 85.941 1.00 0.00 C ATOM 1135 CG LEU A 73 19.177 -2.155 85.303 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.923 -3.213 84.211 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.868 -0.920 84.720 1.00 0.00 C ATOM 0 H LEU A 73 17.370 -4.214 85.602 1.00 0.00 H new ATOM 0 HA LEU A 73 18.325 -2.619 87.826 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.048 -1.772 85.197 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.903 -0.717 86.304 1.00 0.00 H new ATOM 0 HG LEU A 73 19.830 -2.592 86.059 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.871 -3.504 83.759 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.449 -4.088 84.655 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.269 -2.796 83.445 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.815 -1.213 84.267 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.228 -0.468 83.962 1.00 0.00 H new ATOM 0 HD23 LEU A 73 20.054 -0.198 85.515 1.00 0.00 H new ATOM 1149 N SER A 74 15.154 -2.993 87.389 1.00 0.00 N ATOM 1150 CA SER A 74 13.847 -2.650 87.980 1.00 0.00 C ATOM 1151 C SER A 74 13.939 -2.798 89.508 1.00 0.00 C ATOM 1152 O SER A 74 13.572 -1.909 90.255 1.00 0.00 O ATOM 1153 CB SER A 74 12.743 -3.545 87.410 1.00 0.00 C ATOM 1154 OG SER A 74 11.487 -3.101 87.905 1.00 0.00 O ATOM 0 H SER A 74 15.153 -3.778 86.738 1.00 0.00 H new ATOM 0 HA SER A 74 13.593 -1.620 87.731 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.753 -3.508 86.321 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.915 -4.583 87.695 1.00 0.00 H new ATOM 0 HG SER A 74 10.815 -3.164 87.195 1.00 0.00 H new ATOM 1160 N ALA A 75 14.450 -3.912 89.981 1.00 0.00 N ATOM 1161 CA ALA A 75 14.575 -4.103 91.464 1.00 0.00 C ATOM 1162 C ALA A 75 15.652 -3.171 92.020 1.00 0.00 C ATOM 1163 O ALA A 75 15.576 -2.731 93.150 1.00 0.00 O ATOM 1164 CB ALA A 75 14.947 -5.554 91.785 1.00 0.00 C ATOM 0 H ALA A 75 14.783 -4.690 89.411 1.00 0.00 H new ATOM 0 HA ALA A 75 13.615 -3.869 91.925 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.034 -5.677 92.865 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.173 -6.221 91.405 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.899 -5.798 91.314 1.00 0.00 H new ATOM 1170 N VAL A 76 16.659 -2.877 91.243 1.00 0.00 N ATOM 1171 CA VAL A 76 17.746 -1.985 91.731 1.00 0.00 C ATOM 1172 C VAL A 76 17.140 -0.787 92.456 1.00 0.00 C ATOM 1173 O VAL A 76 17.281 -0.640 93.653 1.00 0.00 O ATOM 1174 CB VAL A 76 18.594 -1.520 90.534 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.468 -0.327 90.910 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.490 -2.661 90.104 1.00 0.00 C ATOM 0 H VAL A 76 16.775 -3.218 90.289 1.00 0.00 H new ATOM 0 HA VAL A 76 18.385 -2.526 92.430 1.00 0.00 H new ATOM 0 HB VAL A 76 17.925 -1.221 89.727 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.056 -0.020 90.045 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.835 0.501 91.231 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.138 -0.608 91.723 1.00 0.00 H new ATOM 0 HG21 VAL A 76 20.098 -2.346 89.256 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.141 -2.944 90.931 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.878 -3.515 89.815 1.00 0.00 H new ATOM 1186 N TYR A 77 16.469 0.076 91.752 1.00 0.00 N ATOM 1187 CA TYR A 77 15.873 1.262 92.432 1.00 0.00 C ATOM 1188 C TYR A 77 14.657 0.836 93.257 1.00 0.00 C ATOM 1189 O TYR A 77 13.637 1.492 93.247 1.00 0.00 O ATOM 1190 CB TYR A 77 15.447 2.309 91.388 1.00 0.00 C ATOM 1191 CG TYR A 77 16.297 2.127 90.168 1.00 0.00 C ATOM 1192 CD1 TYR A 77 17.554 2.722 90.106 1.00 0.00 C ATOM 1193 CD2 TYR A 77 15.831 1.350 89.106 1.00 0.00 C ATOM 1194 CE1 TYR A 77 18.357 2.530 88.982 1.00 0.00 C ATOM 1195 CE2 TYR A 77 16.635 1.153 87.983 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.897 1.749 87.918 1.00 0.00 C ATOM 1197 OH TYR A 77 18.700 1.554 86.814 1.00 0.00 O ATOM 0 H TYR A 77 16.307 0.016 90.747 1.00 0.00 H new ATOM 0 HA TYR A 77 16.620 1.699 93.094 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.393 2.189 91.138 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.567 3.316 91.788 1.00 0.00 H new ATOM 0 HD1 TYR A 77 17.906 3.330 90.926 1.00 0.00 H new ATOM 0 HD2 TYR A 77 14.849 0.902 89.154 1.00 0.00 H new ATOM 0 HE1 TYR A 77 19.335 2.985 88.934 1.00 0.00 H new ATOM 0 HE2 TYR A 77 16.283 0.541 87.166 1.00 0.00 H new ATOM 0 HH TYR A 77 18.154 1.592 86.001 1.00 0.00 H new ATOM 1207 N GLU A 78 14.756 -0.259 93.971 1.00 0.00 N ATOM 1208 CA GLU A 78 13.602 -0.728 94.801 1.00 0.00 C ATOM 1209 C GLU A 78 14.065 -0.982 96.234 1.00 0.00 C ATOM 1210 O GLU A 78 13.275 -1.013 97.157 1.00 0.00 O ATOM 1211 CB GLU A 78 13.072 -2.037 94.205 1.00 0.00 C ATOM 1212 CG GLU A 78 11.615 -2.272 94.625 1.00 0.00 C ATOM 1213 CD GLU A 78 10.714 -1.179 94.040 1.00 0.00 C ATOM 1214 OE1 GLU A 78 11.162 -0.485 93.145 1.00 0.00 O ATOM 1215 OE2 GLU A 78 9.587 -1.058 94.499 1.00 0.00 O ATOM 0 H GLU A 78 15.587 -0.849 94.015 1.00 0.00 H new ATOM 0 HA GLU A 78 12.820 0.031 94.806 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.141 -2.002 93.118 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.691 -2.871 94.537 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.283 -3.251 94.280 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.538 -2.274 95.712 1.00 0.00 H new ATOM 1222 N GLY A 79 15.334 -1.187 96.428 1.00 0.00 N ATOM 1223 CA GLY A 79 15.828 -1.468 97.799 1.00 0.00 C ATOM 1224 C GLY A 79 15.600 -2.950 98.075 1.00 0.00 C ATOM 1225 O GLY A 79 16.019 -3.482 99.086 1.00 0.00 O ATOM 0 H GLY A 79 16.048 -1.172 95.700 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.886 -1.221 97.883 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.299 -0.856 98.530 1.00 0.00 H new ATOM 1229 N HIS A 80 14.954 -3.629 97.159 1.00 0.00 N ATOM 1230 CA HIS A 80 14.707 -5.083 97.349 1.00 0.00 C ATOM 1231 C HIS A 80 15.996 -5.824 97.017 1.00 0.00 C ATOM 1232 O HIS A 80 16.572 -6.475 97.861 1.00 0.00 O ATOM 1233 CB HIS A 80 13.604 -5.543 96.389 1.00 0.00 C ATOM 1234 CG HIS A 80 12.267 -5.423 97.059 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.365 -6.465 97.062 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.671 -4.408 97.774 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.293 -6.080 97.760 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.420 -4.830 98.219 1.00 0.00 N ATOM 0 H HIS A 80 14.590 -3.236 96.291 1.00 0.00 H new ATOM 0 HA HIS A 80 14.398 -5.285 98.375 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.623 -4.938 95.482 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.779 -6.576 96.087 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.105 -3.437 97.961 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.428 -6.703 97.933 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.747 -4.301 98.774 1.00 0.00 H new ATOM 1246 N VAL A 81 16.453 -5.702 95.801 1.00 0.00 N ATOM 1247 CA VAL A 81 17.712 -6.358 95.377 1.00 0.00 C ATOM 1248 C VAL A 81 17.930 -7.697 96.107 1.00 0.00 C ATOM 1249 O VAL A 81 19.015 -8.261 96.119 1.00 0.00 O ATOM 1250 CB VAL A 81 18.856 -5.347 95.560 1.00 0.00 C ATOM 1251 CG1 VAL A 81 18.927 -4.402 94.326 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.582 -4.482 96.789 1.00 0.00 C ATOM 0 H VAL A 81 15.992 -5.161 95.070 1.00 0.00 H new ATOM 0 HA VAL A 81 17.669 -6.635 94.324 1.00 0.00 H new ATOM 0 HB VAL A 81 19.790 -5.896 95.675 1.00 0.00 H new ATOM 0 HG11 VAL A 81 19.739 -3.688 94.461 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.107 -4.991 93.427 1.00 0.00 H new ATOM 0 HG13 VAL A 81 17.984 -3.864 94.225 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.393 -3.766 96.918 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.643 -3.946 96.654 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.514 -5.116 97.673 1.00 0.00 H new ATOM 1262 N SER A 82 16.872 -8.262 96.604 1.00 0.00 N ATOM 1263 CA SER A 82 16.956 -9.615 97.195 1.00 0.00 C ATOM 1264 C SER A 82 16.834 -10.521 95.976 1.00 0.00 C ATOM 1265 O SER A 82 17.223 -11.672 95.959 1.00 0.00 O ATOM 1266 CB SER A 82 15.795 -9.823 98.180 1.00 0.00 C ATOM 1267 OG SER A 82 16.303 -9.818 99.511 1.00 0.00 O ATOM 0 H SER A 82 15.944 -7.838 96.625 1.00 0.00 H new ATOM 0 HA SER A 82 17.866 -9.804 97.765 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.053 -9.034 98.058 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.292 -10.768 97.974 1.00 0.00 H new ATOM 0 HG SER A 82 15.566 -9.949 100.143 1.00 0.00 H new ATOM 1273 N CYS A 83 16.296 -9.933 94.929 1.00 0.00 N ATOM 1274 CA CYS A 83 16.109 -10.629 93.631 1.00 0.00 C ATOM 1275 C CYS A 83 17.417 -10.556 92.826 1.00 0.00 C ATOM 1276 O CYS A 83 18.005 -11.568 92.511 1.00 0.00 O ATOM 1277 CB CYS A 83 14.984 -9.928 92.846 1.00 0.00 C ATOM 1278 SG CYS A 83 14.870 -8.195 93.368 1.00 0.00 S ATOM 0 H CYS A 83 15.971 -8.966 94.932 1.00 0.00 H new ATOM 0 HA CYS A 83 15.844 -11.673 93.802 1.00 0.00 H new ATOM 0 HB2 CYS A 83 15.184 -9.984 91.776 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.035 -10.434 93.020 1.00 0.00 H new ATOM 0 HG CYS A 83 13.702 -7.721 93.048 1.00 0.00 H new ATOM 1284 N VAL A 84 17.876 -9.363 92.494 1.00 0.00 N ATOM 1285 CA VAL A 84 19.149 -9.218 91.702 1.00 0.00 C ATOM 1286 C VAL A 84 20.139 -10.302 92.110 1.00 0.00 C ATOM 1287 O VAL A 84 20.912 -10.787 91.303 1.00 0.00 O ATOM 1288 CB VAL A 84 19.800 -7.870 91.989 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.869 -6.720 91.607 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.138 -7.814 93.464 1.00 0.00 C ATOM 0 H VAL A 84 17.422 -8.483 92.739 1.00 0.00 H new ATOM 0 HA VAL A 84 18.899 -9.301 90.644 1.00 0.00 H new ATOM 0 HB VAL A 84 20.706 -7.764 91.392 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.358 -5.770 91.822 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.638 -6.777 90.543 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.946 -6.792 92.183 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.606 -6.857 93.694 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.226 -7.922 94.051 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.826 -8.623 93.711 1.00 0.00 H new ATOM 1300 N LYS A 85 20.149 -10.673 93.360 1.00 0.00 N ATOM 1301 CA LYS A 85 21.114 -11.709 93.814 1.00 0.00 C ATOM 1302 C LYS A 85 20.776 -13.059 93.154 1.00 0.00 C ATOM 1303 O LYS A 85 21.503 -13.550 92.304 1.00 0.00 O ATOM 1304 CB LYS A 85 21.060 -11.810 95.364 1.00 0.00 C ATOM 1305 CG LYS A 85 22.464 -11.612 95.969 1.00 0.00 C ATOM 1306 CD LYS A 85 22.371 -11.408 97.494 1.00 0.00 C ATOM 1307 CE LYS A 85 23.687 -10.817 98.018 1.00 0.00 C ATOM 1308 NZ LYS A 85 23.529 -10.421 99.447 1.00 0.00 N ATOM 0 H LYS A 85 19.532 -10.304 94.084 1.00 0.00 H new ATOM 0 HA LYS A 85 22.127 -11.435 93.519 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.378 -11.057 95.759 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.666 -12.783 95.657 1.00 0.00 H new ATOM 0 HG2 LYS A 85 23.087 -12.479 95.750 1.00 0.00 H new ATOM 0 HG3 LYS A 85 22.946 -10.749 95.509 1.00 0.00 H new ATOM 0 HD2 LYS A 85 21.542 -10.742 97.732 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.167 -12.359 97.986 1.00 0.00 H new ATOM 0 HE2 LYS A 85 24.489 -11.548 97.920 1.00 0.00 H new ATOM 0 HE3 LYS A 85 23.971 -9.951 97.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 24.423 -10.021 99.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 22.776 -9.709 99.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 23.278 -11.257 100.013 1.00 0.00 H new ATOM 1322 N LEU A 86 19.689 -13.673 93.517 1.00 0.00 N ATOM 1323 CA LEU A 86 19.351 -14.984 92.885 1.00 0.00 C ATOM 1324 C LEU A 86 19.038 -14.771 91.403 1.00 0.00 C ATOM 1325 O LEU A 86 18.875 -15.705 90.647 1.00 0.00 O ATOM 1326 CB LEU A 86 18.199 -15.664 93.676 1.00 0.00 C ATOM 1327 CG LEU A 86 16.830 -15.678 92.955 1.00 0.00 C ATOM 1328 CD1 LEU A 86 16.437 -14.277 92.454 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.798 -16.722 91.806 1.00 0.00 C ATOM 0 H LEU A 86 19.025 -13.334 94.213 1.00 0.00 H new ATOM 0 HA LEU A 86 20.200 -15.667 92.929 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.487 -16.692 93.896 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.084 -15.153 94.632 1.00 0.00 H new ATOM 0 HG LEU A 86 16.084 -15.981 93.690 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.470 -14.328 91.953 1.00 0.00 H new ATOM 0 HD12 LEU A 86 16.372 -13.593 93.300 1.00 0.00 H new ATOM 0 HD13 LEU A 86 17.190 -13.917 91.753 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.821 -16.702 91.324 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.569 -16.481 91.074 1.00 0.00 H new ATOM 0 HD23 LEU A 86 16.982 -17.716 92.213 1.00 0.00 H new ATOM 1341 N LEU A 87 18.975 -13.541 90.967 1.00 0.00 N ATOM 1342 CA LEU A 87 18.669 -13.289 89.529 1.00 0.00 C ATOM 1343 C LEU A 87 19.858 -13.663 88.634 1.00 0.00 C ATOM 1344 O LEU A 87 19.757 -14.574 87.832 1.00 0.00 O ATOM 1345 CB LEU A 87 18.304 -11.806 89.340 1.00 0.00 C ATOM 1346 CG LEU A 87 16.987 -11.671 88.571 1.00 0.00 C ATOM 1347 CD1 LEU A 87 16.601 -10.185 88.479 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.140 -12.259 87.164 1.00 0.00 C ATOM 0 H LEU A 87 19.120 -12.708 91.537 1.00 0.00 H new ATOM 0 HA LEU A 87 17.826 -13.915 89.236 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.216 -11.321 90.312 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.101 -11.295 88.800 1.00 0.00 H new ATOM 0 HG LEU A 87 16.204 -12.217 89.096 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.664 -10.086 87.932 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.480 -9.778 89.483 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.385 -9.637 87.957 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.199 -12.159 86.624 1.00 0.00 H new ATOM 0 HD22 LEU A 87 17.924 -11.723 86.629 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.406 -13.313 87.237 1.00 0.00 H new ATOM 1360 N LEU A 88 20.969 -12.984 88.717 1.00 0.00 N ATOM 1361 CA LEU A 88 22.081 -13.352 87.810 1.00 0.00 C ATOM 1362 C LEU A 88 22.440 -14.816 87.998 1.00 0.00 C ATOM 1363 O LEU A 88 23.181 -15.387 87.225 1.00 0.00 O ATOM 1364 CB LEU A 88 23.303 -12.438 88.010 1.00 0.00 C ATOM 1365 CG LEU A 88 24.143 -12.787 89.263 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.249 -12.946 90.493 1.00 0.00 C ATOM 1367 CD2 LEU A 88 24.971 -14.074 89.051 1.00 0.00 C ATOM 0 H LEU A 88 21.149 -12.211 89.357 1.00 0.00 H new ATOM 0 HA LEU A 88 21.749 -13.208 86.782 1.00 0.00 H new ATOM 0 HB2 LEU A 88 23.940 -12.500 87.128 1.00 0.00 H new ATOM 0 HB3 LEU A 88 22.964 -11.405 88.087 1.00 0.00 H new ATOM 0 HG LEU A 88 24.832 -11.958 89.428 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.863 -13.191 91.360 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.715 -12.014 90.678 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.530 -13.747 90.319 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.548 -14.288 89.951 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.301 -14.908 88.843 1.00 0.00 H new ATOM 0 HD23 LEU A 88 25.650 -13.935 88.209 1.00 0.00 H new ATOM 1379 N SER A 89 21.892 -15.440 88.995 1.00 0.00 N ATOM 1380 CA SER A 89 22.188 -16.881 89.194 1.00 0.00 C ATOM 1381 C SER A 89 21.826 -17.625 87.901 1.00 0.00 C ATOM 1382 O SER A 89 22.288 -18.721 87.652 1.00 0.00 O ATOM 1383 CB SER A 89 21.374 -17.438 90.370 1.00 0.00 C ATOM 1384 OG SER A 89 22.002 -18.620 90.854 1.00 0.00 O ATOM 0 H SER A 89 21.258 -15.021 89.675 1.00 0.00 H new ATOM 0 HA SER A 89 23.245 -17.016 89.424 1.00 0.00 H new ATOM 0 HB2 SER A 89 21.306 -16.696 91.165 1.00 0.00 H new ATOM 0 HB3 SER A 89 20.355 -17.657 90.051 1.00 0.00 H new ATOM 0 HG SER A 89 21.487 -18.979 91.606 1.00 0.00 H new ATOM 1390 N LYS A 90 21.009 -17.018 87.071 1.00 0.00 N ATOM 1391 CA LYS A 90 20.609 -17.653 85.778 1.00 0.00 C ATOM 1392 C LYS A 90 21.310 -16.934 84.616 1.00 0.00 C ATOM 1393 O LYS A 90 21.409 -17.451 83.522 1.00 0.00 O ATOM 1394 CB LYS A 90 19.097 -17.507 85.602 1.00 0.00 C ATOM 1395 CG LYS A 90 18.343 -18.396 86.618 1.00 0.00 C ATOM 1396 CD LYS A 90 17.799 -17.550 87.780 1.00 0.00 C ATOM 1397 CE LYS A 90 16.473 -16.899 87.378 1.00 0.00 C ATOM 1398 NZ LYS A 90 16.009 -16.010 88.480 1.00 0.00 N ATOM 0 H LYS A 90 20.599 -16.099 87.239 1.00 0.00 H new ATOM 0 HA LYS A 90 20.891 -18.706 85.785 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.808 -16.465 85.738 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.815 -17.786 84.587 1.00 0.00 H new ATOM 0 HG2 LYS A 90 17.521 -18.910 86.120 1.00 0.00 H new ATOM 0 HG3 LYS A 90 19.013 -19.165 87.003 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.654 -18.177 88.660 1.00 0.00 H new ATOM 0 HD3 LYS A 90 18.523 -16.782 88.052 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.600 -16.325 86.460 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.725 -17.665 87.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 15.017 -16.225 88.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 16.597 -16.167 89.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.089 -15.017 88.182 1.00 0.00 H new ATOM 1412 N GLY A 91 21.784 -15.742 84.853 1.00 0.00 N ATOM 1413 CA GLY A 91 22.469 -14.964 83.780 1.00 0.00 C ATOM 1414 C GLY A 91 22.082 -13.485 83.902 1.00 0.00 C ATOM 1415 O GLY A 91 22.628 -12.753 84.703 1.00 0.00 O ATOM 0 H GLY A 91 21.726 -15.268 85.754 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.550 -15.077 83.866 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.185 -15.347 82.800 1.00 0.00 H new ATOM 1419 N ALA A 92 21.133 -13.046 83.122 1.00 0.00 N ATOM 1420 CA ALA A 92 20.692 -11.622 83.198 1.00 0.00 C ATOM 1421 C ALA A 92 21.898 -10.674 83.112 1.00 0.00 C ATOM 1422 O ALA A 92 21.741 -9.477 83.221 1.00 0.00 O ATOM 1423 CB ALA A 92 19.964 -11.400 84.542 1.00 0.00 C ATOM 0 H ALA A 92 20.641 -13.614 82.432 1.00 0.00 H new ATOM 0 HA ALA A 92 20.025 -11.410 82.362 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.636 -10.363 84.611 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.098 -12.059 84.600 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.644 -11.621 85.365 1.00 0.00 H new ATOM 1429 N ASP A 93 23.096 -11.203 82.939 1.00 0.00 N ATOM 1430 CA ASP A 93 24.323 -10.336 82.882 1.00 0.00 C ATOM 1431 C ASP A 93 24.115 -9.127 83.779 1.00 0.00 C ATOM 1432 O ASP A 93 23.954 -9.259 84.976 1.00 0.00 O ATOM 1433 CB ASP A 93 24.618 -9.899 81.445 1.00 0.00 C ATOM 1434 CG ASP A 93 26.015 -9.274 81.385 1.00 0.00 C ATOM 1435 OD1 ASP A 93 26.964 -10.012 81.173 1.00 0.00 O ATOM 1436 OD2 ASP A 93 26.113 -8.070 81.557 1.00 0.00 O ATOM 0 H ASP A 93 23.274 -12.202 82.835 1.00 0.00 H new ATOM 0 HA ASP A 93 25.183 -10.906 83.233 1.00 0.00 H new ATOM 0 HB2 ASP A 93 24.560 -10.755 80.773 1.00 0.00 H new ATOM 0 HB3 ASP A 93 23.870 -9.180 81.110 1.00 0.00 H new ATOM 1441 N LYS A 94 24.099 -7.953 83.234 1.00 0.00 N ATOM 1442 CA LYS A 94 23.868 -6.766 84.086 1.00 0.00 C ATOM 1443 C LYS A 94 23.529 -5.572 83.192 1.00 0.00 C ATOM 1444 O LYS A 94 22.778 -4.698 83.564 1.00 0.00 O ATOM 1445 CB LYS A 94 25.110 -6.497 84.941 1.00 0.00 C ATOM 1446 CG LYS A 94 24.939 -5.195 85.730 1.00 0.00 C ATOM 1447 CD LYS A 94 23.746 -5.294 86.726 1.00 0.00 C ATOM 1448 CE LYS A 94 22.485 -4.551 86.218 1.00 0.00 C ATOM 1449 NZ LYS A 94 21.674 -4.107 87.392 1.00 0.00 N ATOM 0 H LYS A 94 24.235 -7.763 82.241 1.00 0.00 H new ATOM 0 HA LYS A 94 23.031 -6.939 84.762 1.00 0.00 H new ATOM 0 HB2 LYS A 94 25.274 -7.328 85.627 1.00 0.00 H new ATOM 0 HB3 LYS A 94 25.992 -6.431 84.304 1.00 0.00 H new ATOM 0 HG2 LYS A 94 25.856 -4.975 86.277 1.00 0.00 H new ATOM 0 HG3 LYS A 94 24.773 -4.368 85.040 1.00 0.00 H new ATOM 0 HD2 LYS A 94 23.503 -6.343 86.893 1.00 0.00 H new ATOM 0 HD3 LYS A 94 24.045 -4.879 87.688 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.773 -3.691 85.613 1.00 0.00 H new ATOM 0 HE3 LYS A 94 21.894 -5.207 85.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 20.664 -4.245 87.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 21.938 -4.667 88.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 21.855 -3.100 87.578 1.00 0.00 H new ATOM 1463 N THR A 95 24.060 -5.549 82.004 1.00 0.00 N ATOM 1464 CA THR A 95 23.758 -4.439 81.061 1.00 0.00 C ATOM 1465 C THR A 95 23.259 -5.057 79.769 1.00 0.00 C ATOM 1466 O THR A 95 23.759 -4.783 78.697 1.00 0.00 O ATOM 1467 CB THR A 95 25.022 -3.621 80.790 1.00 0.00 C ATOM 1468 OG1 THR A 95 26.095 -4.499 80.490 1.00 0.00 O ATOM 1469 CG2 THR A 95 25.365 -2.794 82.029 1.00 0.00 C ATOM 0 H THR A 95 24.697 -6.259 81.642 1.00 0.00 H new ATOM 0 HA THR A 95 23.006 -3.774 81.485 1.00 0.00 H new ATOM 0 HB THR A 95 24.854 -2.954 79.945 1.00 0.00 H new ATOM 0 HG1 THR A 95 26.906 -3.977 80.314 1.00 0.00 H new ATOM 0 HG21 THR A 95 26.265 -2.210 81.839 1.00 0.00 H new ATOM 0 HG22 THR A 95 24.538 -2.122 82.258 1.00 0.00 H new ATOM 0 HG23 THR A 95 25.536 -3.460 82.875 1.00 0.00 H new ATOM 1477 N VAL A 96 22.279 -5.911 79.868 1.00 0.00 N ATOM 1478 CA VAL A 96 21.759 -6.564 78.650 1.00 0.00 C ATOM 1479 C VAL A 96 21.028 -5.526 77.810 1.00 0.00 C ATOM 1480 O VAL A 96 20.885 -5.685 76.613 1.00 0.00 O ATOM 1481 CB VAL A 96 20.787 -7.678 79.034 1.00 0.00 C ATOM 1482 CG1 VAL A 96 20.205 -8.298 77.767 1.00 0.00 C ATOM 1483 CG2 VAL A 96 21.525 -8.748 79.833 1.00 0.00 C ATOM 0 H VAL A 96 21.821 -6.180 80.739 1.00 0.00 H new ATOM 0 HA VAL A 96 22.586 -6.991 78.083 1.00 0.00 H new ATOM 0 HB VAL A 96 19.982 -7.266 79.642 1.00 0.00 H new ATOM 0 HG11 VAL A 96 19.511 -9.094 78.037 1.00 0.00 H new ATOM 0 HG12 VAL A 96 19.677 -7.533 77.197 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.011 -8.710 77.160 1.00 0.00 H new ATOM 0 HG21 VAL A 96 20.830 -9.542 80.106 1.00 0.00 H new ATOM 0 HG22 VAL A 96 22.331 -9.163 79.228 1.00 0.00 H new ATOM 0 HG23 VAL A 96 21.942 -8.304 80.737 1.00 0.00 H new ATOM 1493 N LYS A 97 20.582 -4.449 78.402 1.00 0.00 N ATOM 1494 CA LYS A 97 19.896 -3.422 77.571 1.00 0.00 C ATOM 1495 C LYS A 97 19.734 -2.102 78.337 1.00 0.00 C ATOM 1496 O LYS A 97 19.001 -1.229 77.920 1.00 0.00 O ATOM 1497 CB LYS A 97 18.528 -3.964 77.117 1.00 0.00 C ATOM 1498 CG LYS A 97 18.399 -3.895 75.585 1.00 0.00 C ATOM 1499 CD LYS A 97 18.290 -2.430 75.135 1.00 0.00 C ATOM 1500 CE LYS A 97 18.354 -2.330 73.605 1.00 0.00 C ATOM 1501 NZ LYS A 97 16.985 -2.491 73.041 1.00 0.00 N ATOM 0 H LYS A 97 20.660 -4.241 79.397 1.00 0.00 H new ATOM 0 HA LYS A 97 20.509 -3.213 76.694 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.410 -4.995 77.451 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.729 -3.385 77.581 1.00 0.00 H new ATOM 0 HG2 LYS A 97 19.264 -4.365 75.117 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.519 -4.451 75.260 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.354 -2.002 75.494 1.00 0.00 H new ATOM 0 HD3 LYS A 97 19.098 -1.847 75.577 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.770 -1.367 73.310 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.016 -3.099 73.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.052 -2.778 72.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.472 -3.220 73.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.474 -1.588 73.108 1.00 0.00 H new ATOM 1515 N GLY A 98 20.417 -1.921 79.433 1.00 0.00 N ATOM 1516 CA GLY A 98 20.291 -0.627 80.150 1.00 0.00 C ATOM 1517 C GLY A 98 21.024 0.425 79.309 1.00 0.00 C ATOM 1518 O GLY A 98 21.684 0.076 78.351 1.00 0.00 O ATOM 0 H GLY A 98 21.047 -2.603 79.856 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.243 -0.357 80.277 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.726 -0.695 81.147 1.00 0.00 H new ATOM 1522 N PRO A 99 20.904 1.672 79.677 1.00 0.00 N ATOM 1523 CA PRO A 99 21.572 2.759 78.934 1.00 0.00 C ATOM 1524 C PRO A 99 23.035 2.397 78.716 1.00 0.00 C ATOM 1525 O PRO A 99 23.439 1.998 77.639 1.00 0.00 O ATOM 1526 CB PRO A 99 21.410 4.001 79.834 1.00 0.00 C ATOM 1527 CG PRO A 99 20.570 3.569 81.068 1.00 0.00 C ATOM 1528 CD PRO A 99 20.130 2.107 80.851 1.00 0.00 C ATOM 0 HA PRO A 99 21.149 2.936 77.945 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.383 4.380 80.145 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.913 4.806 79.293 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.158 3.659 81.981 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.701 4.216 81.184 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.348 1.491 81.723 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.057 2.036 80.671 1.00 0.00 H new ATOM 1536 N ASP A 100 23.825 2.528 79.727 1.00 0.00 N ATOM 1537 CA ASP A 100 25.260 2.184 79.600 1.00 0.00 C ATOM 1538 C ASP A 100 25.772 1.723 80.960 1.00 0.00 C ATOM 1539 O ASP A 100 25.201 0.858 81.601 1.00 0.00 O ATOM 1540 CB ASP A 100 26.035 3.422 79.142 1.00 0.00 C ATOM 1541 CG ASP A 100 27.441 3.012 78.700 1.00 0.00 C ATOM 1542 OD1 ASP A 100 28.306 2.929 79.555 1.00 0.00 O ATOM 1543 OD2 ASP A 100 27.630 2.789 77.515 1.00 0.00 O ATOM 0 H ASP A 100 23.540 2.862 80.648 1.00 0.00 H new ATOM 0 HA ASP A 100 25.397 1.388 78.868 1.00 0.00 H new ATOM 0 HB2 ASP A 100 25.511 3.908 78.319 1.00 0.00 H new ATOM 0 HB3 ASP A 100 26.095 4.147 79.954 1.00 0.00 H new ATOM 1548 N GLY A 101 26.841 2.293 81.406 1.00 0.00 N ATOM 1549 CA GLY A 101 27.398 1.888 82.717 1.00 0.00 C ATOM 1550 C GLY A 101 26.359 2.117 83.824 1.00 0.00 C ATOM 1551 O GLY A 101 26.627 1.871 84.991 1.00 0.00 O ATOM 0 H GLY A 101 27.358 3.026 80.920 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.686 0.837 82.690 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.301 2.461 82.930 1.00 0.00 H new ATOM 1555 N LEU A 102 25.167 2.562 83.492 1.00 0.00 N ATOM 1556 CA LEU A 102 24.172 2.784 84.567 1.00 0.00 C ATOM 1557 C LEU A 102 24.085 1.558 85.398 1.00 0.00 C ATOM 1558 O LEU A 102 24.527 1.565 86.524 1.00 0.00 O ATOM 1559 CB LEU A 102 22.787 3.122 83.990 1.00 0.00 C ATOM 1560 CG LEU A 102 21.779 3.590 85.084 1.00 0.00 C ATOM 1561 CD1 LEU A 102 20.413 3.827 84.452 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.622 2.554 86.208 1.00 0.00 C ATOM 0 H LEU A 102 24.855 2.774 82.544 1.00 0.00 H new ATOM 0 HA LEU A 102 24.494 3.631 85.173 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.892 3.905 83.239 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.385 2.245 83.482 1.00 0.00 H new ATOM 0 HG LEU A 102 22.175 4.509 85.516 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.710 4.154 85.218 1.00 0.00 H new ATOM 0 HD12 LEU A 102 20.496 4.596 83.684 1.00 0.00 H new ATOM 0 HD13 LEU A 102 20.055 2.901 84.002 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.911 2.923 86.947 1.00 0.00 H new ATOM 0 HD22 LEU A 102 21.257 1.616 85.790 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.587 2.387 86.686 1.00 0.00 H new ATOM 1574 N THR A 103 23.483 0.526 84.874 1.00 0.00 N ATOM 1575 CA THR A 103 23.314 -0.695 85.681 1.00 0.00 C ATOM 1576 C THR A 103 23.327 -0.255 87.134 1.00 0.00 C ATOM 1577 O THR A 103 22.496 0.499 87.596 1.00 0.00 O ATOM 1578 CB THR A 103 24.444 -1.690 85.403 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.574 -2.592 86.494 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.751 -0.939 85.218 1.00 0.00 C ATOM 0 H THR A 103 23.106 0.483 83.927 1.00 0.00 H new ATOM 0 HA THR A 103 22.381 -1.202 85.434 1.00 0.00 H new ATOM 0 HB THR A 103 24.210 -2.249 84.497 1.00 0.00 H new ATOM 0 HG1 THR A 103 25.523 -2.772 86.659 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.554 -1.649 85.020 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.660 -0.251 84.377 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.979 -0.377 86.124 1.00 0.00 H new ATOM 1588 N ALA A 104 24.266 -0.692 87.850 1.00 0.00 N ATOM 1589 CA ALA A 104 24.335 -0.297 89.267 1.00 0.00 C ATOM 1590 C ALA A 104 25.182 0.970 89.463 1.00 0.00 C ATOM 1591 O ALA A 104 25.040 1.671 90.448 1.00 0.00 O ATOM 1592 CB ALA A 104 24.967 -1.450 89.985 1.00 0.00 C ATOM 0 H ALA A 104 25.008 -1.315 87.530 1.00 0.00 H new ATOM 0 HA ALA A 104 23.340 -0.068 89.649 1.00 0.00 H new ATOM 0 HB1 ALA A 104 25.047 -1.218 91.047 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.353 -2.341 89.854 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.962 -1.631 89.578 1.00 0.00 H new ATOM 1598 N LEU A 105 26.093 1.255 88.573 1.00 0.00 N ATOM 1599 CA LEU A 105 26.964 2.436 88.775 1.00 0.00 C ATOM 1600 C LEU A 105 26.166 3.722 88.951 1.00 0.00 C ATOM 1601 O LEU A 105 26.227 4.352 89.987 1.00 0.00 O ATOM 1602 CB LEU A 105 27.873 2.647 87.574 1.00 0.00 C ATOM 1603 CG LEU A 105 28.497 1.346 87.121 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.533 1.654 86.047 1.00 0.00 C ATOM 1605 CD2 LEU A 105 29.154 0.664 88.309 1.00 0.00 C ATOM 0 H LEU A 105 26.268 0.722 87.721 1.00 0.00 H new ATOM 0 HA LEU A 105 27.537 2.229 89.679 1.00 0.00 H new ATOM 0 HB2 LEU A 105 27.301 3.083 86.755 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.657 3.359 87.830 1.00 0.00 H new ATOM 0 HG LEU A 105 27.737 0.680 86.712 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.993 0.726 85.709 1.00 0.00 H new ATOM 0 HD12 LEU A 105 29.048 2.147 85.204 1.00 0.00 H new ATOM 0 HD13 LEU A 105 30.300 2.310 86.459 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.605 -0.274 87.986 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.925 1.314 88.721 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.404 0.462 89.073 1.00 0.00 H new ATOM 1617 N GLU A 106 25.482 4.167 87.935 1.00 0.00 N ATOM 1618 CA GLU A 106 24.769 5.453 88.056 1.00 0.00 C ATOM 1619 C GLU A 106 23.452 5.254 88.784 1.00 0.00 C ATOM 1620 O GLU A 106 22.692 6.181 88.981 1.00 0.00 O ATOM 1621 CB GLU A 106 24.501 6.028 86.671 1.00 0.00 C ATOM 1622 CG GLU A 106 25.792 6.050 85.860 1.00 0.00 C ATOM 1623 CD GLU A 106 26.760 7.054 86.482 1.00 0.00 C ATOM 1624 OE1 GLU A 106 27.415 6.697 87.448 1.00 0.00 O ATOM 1625 OE2 GLU A 106 26.828 8.165 85.985 1.00 0.00 O ATOM 0 H GLU A 106 25.390 3.695 87.035 1.00 0.00 H new ATOM 0 HA GLU A 106 25.390 6.146 88.623 1.00 0.00 H new ATOM 0 HB2 GLU A 106 23.749 5.428 86.158 1.00 0.00 H new ATOM 0 HB3 GLU A 106 24.099 7.037 86.758 1.00 0.00 H new ATOM 0 HG2 GLU A 106 26.241 5.057 85.842 1.00 0.00 H new ATOM 0 HG3 GLU A 106 25.581 6.323 84.826 1.00 0.00 H new ATOM 1632 N ALA A 107 23.167 4.056 89.175 1.00 0.00 N ATOM 1633 CA ALA A 107 21.888 3.811 89.873 1.00 0.00 C ATOM 1634 C ALA A 107 21.918 4.319 91.321 1.00 0.00 C ATOM 1635 O ALA A 107 21.010 5.006 91.743 1.00 0.00 O ATOM 1636 CB ALA A 107 21.618 2.317 89.884 1.00 0.00 C ATOM 0 H ALA A 107 23.761 3.237 89.043 1.00 0.00 H new ATOM 0 HA ALA A 107 21.104 4.351 89.343 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.676 2.121 90.397 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.556 1.951 88.859 1.00 0.00 H new ATOM 0 HB3 ALA A 107 22.427 1.805 90.404 1.00 0.00 H new ATOM 1642 N THR A 108 22.897 3.952 92.115 1.00 0.00 N ATOM 1643 CA THR A 108 22.858 4.393 93.540 1.00 0.00 C ATOM 1644 C THR A 108 24.235 4.461 94.208 1.00 0.00 C ATOM 1645 O THR A 108 25.264 4.635 93.580 1.00 0.00 O ATOM 1646 CB THR A 108 22.039 3.353 94.290 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.863 3.760 95.640 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.790 2.016 94.234 1.00 0.00 C ATOM 0 H THR A 108 23.699 3.382 91.846 1.00 0.00 H new ATOM 0 HA THR A 108 22.441 5.400 93.568 1.00 0.00 H new ATOM 0 HB THR A 108 21.056 3.246 93.832 1.00 0.00 H new ATOM 0 HG1 THR A 108 21.334 3.088 96.118 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.219 1.255 94.767 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.917 1.713 93.195 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.768 2.128 94.701 1.00 0.00 H new ATOM 1656 N ASP A 109 24.210 4.310 95.514 1.00 0.00 N ATOM 1657 CA ASP A 109 25.437 4.333 96.353 1.00 0.00 C ATOM 1658 C ASP A 109 25.257 3.354 97.512 1.00 0.00 C ATOM 1659 O ASP A 109 26.145 3.183 98.322 1.00 0.00 O ATOM 1660 CB ASP A 109 25.670 5.749 96.886 1.00 0.00 C ATOM 1661 CG ASP A 109 27.009 5.806 97.620 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.915 5.092 97.223 1.00 0.00 O ATOM 1663 OD2 ASP A 109 27.105 6.566 98.569 1.00 0.00 O ATOM 0 H ASP A 109 23.351 4.167 96.045 1.00 0.00 H new ATOM 0 HA ASP A 109 26.303 4.039 95.759 1.00 0.00 H new ATOM 0 HB2 ASP A 109 25.664 6.464 96.063 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.862 6.032 97.560 1.00 0.00 H new ATOM 1668 N ASN A 110 24.142 2.664 97.578 1.00 0.00 N ATOM 1669 CA ASN A 110 23.993 1.664 98.667 1.00 0.00 C ATOM 1670 C ASN A 110 24.853 0.476 98.240 1.00 0.00 C ATOM 1671 O ASN A 110 25.115 0.294 97.071 1.00 0.00 O ATOM 1672 CB ASN A 110 22.517 1.268 98.872 1.00 0.00 C ATOM 1673 CG ASN A 110 22.082 0.211 97.864 1.00 0.00 C ATOM 1674 OD1 ASN A 110 22.738 0.078 96.758 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 21.124 -0.506 98.092 1.00 0.00 N flip ATOM 0 H ASN A 110 23.351 2.750 96.940 1.00 0.00 H new ATOM 0 HA ASN A 110 24.315 2.060 99.630 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.377 0.888 99.884 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.884 2.150 98.773 1.00 0.00 H new ATOM 0 HD21 ASN A 110 20.605 -0.402 98.964 1.00 0.00 H new ATOM 0 HD22 ASN A 110 20.840 -1.210 97.411 1.00 0.00 H new ATOM 1682 N GLN A 111 25.365 -0.283 99.153 1.00 0.00 N ATOM 1683 CA GLN A 111 26.284 -1.388 98.756 1.00 0.00 C ATOM 1684 C GLN A 111 25.539 -2.703 98.391 1.00 0.00 C ATOM 1685 O GLN A 111 26.162 -3.710 98.126 1.00 0.00 O ATOM 1686 CB GLN A 111 27.270 -1.570 99.912 1.00 0.00 C ATOM 1687 CG GLN A 111 27.962 -2.931 99.842 1.00 0.00 C ATOM 1688 CD GLN A 111 29.155 -2.946 100.800 1.00 0.00 C ATOM 1689 OE1 GLN A 111 30.294 -2.940 100.374 1.00 0.00 O ATOM 1690 NE2 GLN A 111 28.941 -2.968 102.085 1.00 0.00 N ATOM 0 H GLN A 111 25.193 -0.194 100.154 1.00 0.00 H new ATOM 0 HA GLN A 111 26.810 -1.127 97.838 1.00 0.00 H new ATOM 0 HB2 GLN A 111 28.018 -0.777 99.883 1.00 0.00 H new ATOM 0 HB3 GLN A 111 26.742 -1.476 100.861 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.260 -3.722 100.106 1.00 0.00 H new ATOM 0 HG3 GLN A 111 28.297 -3.129 98.824 1.00 0.00 H new ATOM 0 HE21 GLN A 111 27.986 -2.973 102.443 1.00 0.00 H new ATOM 0 HE22 GLN A 111 29.729 -2.980 102.733 1.00 0.00 H new ATOM 1699 N ALA A 112 24.230 -2.711 98.325 1.00 0.00 N ATOM 1700 CA ALA A 112 23.520 -3.979 97.941 1.00 0.00 C ATOM 1701 C ALA A 112 23.515 -4.116 96.425 1.00 0.00 C ATOM 1702 O ALA A 112 23.848 -5.142 95.848 1.00 0.00 O ATOM 1703 CB ALA A 112 22.068 -3.926 98.424 1.00 0.00 C ATOM 0 H ALA A 112 23.627 -1.911 98.516 1.00 0.00 H new ATOM 0 HA ALA A 112 24.034 -4.825 98.397 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.557 -4.847 98.143 1.00 0.00 H new ATOM 0 HB2 ALA A 112 22.049 -3.816 99.508 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.563 -3.077 97.965 1.00 0.00 H new ATOM 1709 N ILE A 113 23.141 -3.074 95.788 1.00 0.00 N ATOM 1710 CA ILE A 113 23.082 -3.061 94.315 1.00 0.00 C ATOM 1711 C ILE A 113 24.485 -3.102 93.785 1.00 0.00 C ATOM 1712 O ILE A 113 24.816 -3.832 92.865 1.00 0.00 O ATOM 1713 CB ILE A 113 22.405 -1.760 93.902 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.902 -1.917 94.196 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.673 -1.474 92.416 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.266 -0.604 94.678 1.00 0.00 C ATOM 0 H ILE A 113 22.863 -2.199 96.233 1.00 0.00 H new ATOM 0 HA ILE A 113 22.528 -3.914 93.924 1.00 0.00 H new ATOM 0 HB ILE A 113 22.800 -0.910 94.459 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.391 -2.258 93.296 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.760 -2.687 94.954 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.185 -0.542 92.131 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.747 -1.387 92.250 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.278 -2.290 91.811 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.205 -0.763 94.873 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.758 -0.276 95.594 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.383 0.160 93.910 1.00 0.00 H new ATOM 1728 N LYS A 114 25.314 -2.321 94.364 1.00 0.00 N ATOM 1729 CA LYS A 114 26.692 -2.303 93.910 1.00 0.00 C ATOM 1730 C LYS A 114 27.227 -3.731 94.007 1.00 0.00 C ATOM 1731 O LYS A 114 28.243 -4.070 93.427 1.00 0.00 O ATOM 1732 CB LYS A 114 27.483 -1.323 94.772 1.00 0.00 C ATOM 1733 CG LYS A 114 26.775 0.051 94.768 1.00 0.00 C ATOM 1734 CD LYS A 114 27.056 0.810 93.456 1.00 0.00 C ATOM 1735 CE LYS A 114 26.808 2.307 93.657 1.00 0.00 C ATOM 1736 NZ LYS A 114 27.947 2.906 94.413 1.00 0.00 N ATOM 0 H LYS A 114 25.093 -1.692 95.136 1.00 0.00 H new ATOM 0 HA LYS A 114 26.781 -1.968 92.877 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.563 -1.700 95.791 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.499 -1.222 94.389 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.701 -0.088 94.889 1.00 0.00 H new ATOM 0 HG3 LYS A 114 27.117 0.644 95.616 1.00 0.00 H new ATOM 0 HD2 LYS A 114 28.086 0.642 93.142 1.00 0.00 H new ATOM 0 HD3 LYS A 114 26.414 0.430 92.661 1.00 0.00 H new ATOM 0 HE2 LYS A 114 26.700 2.801 92.691 1.00 0.00 H new ATOM 0 HE3 LYS A 114 25.876 2.462 94.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 27.931 3.940 94.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 27.861 2.663 95.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 28.844 2.533 94.042 1.00 0.00 H new ATOM 1750 N ALA A 115 26.520 -4.583 94.707 1.00 0.00 N ATOM 1751 CA ALA A 115 26.951 -5.993 94.808 1.00 0.00 C ATOM 1752 C ALA A 115 26.900 -6.605 93.413 1.00 0.00 C ATOM 1753 O ALA A 115 27.752 -7.387 93.054 1.00 0.00 O ATOM 1754 CB ALA A 115 26.030 -6.768 95.752 1.00 0.00 C ATOM 0 H ALA A 115 25.663 -4.354 95.210 1.00 0.00 H new ATOM 0 HA ALA A 115 27.964 -6.043 95.208 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.362 -7.804 95.815 1.00 0.00 H new ATOM 0 HB2 ALA A 115 26.062 -6.316 96.743 1.00 0.00 H new ATOM 0 HB3 ALA A 115 25.009 -6.736 95.371 1.00 0.00 H new ATOM 1760 N LEU A 116 25.923 -6.271 92.602 1.00 0.00 N ATOM 1761 CA LEU A 116 25.907 -6.890 91.242 1.00 0.00 C ATOM 1762 C LEU A 116 27.041 -6.314 90.383 1.00 0.00 C ATOM 1763 O LEU A 116 27.516 -6.961 89.473 1.00 0.00 O ATOM 1764 CB LEU A 116 24.556 -6.637 90.530 1.00 0.00 C ATOM 1765 CG LEU A 116 23.564 -7.827 90.675 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.481 -7.699 89.597 1.00 0.00 C ATOM 1767 CD2 LEU A 116 24.253 -9.194 90.503 1.00 0.00 C ATOM 0 H LEU A 116 25.165 -5.622 92.812 1.00 0.00 H new ATOM 0 HA LEU A 116 26.046 -7.964 91.365 1.00 0.00 H new ATOM 0 HB2 LEU A 116 24.098 -5.737 90.940 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.738 -6.449 89.472 1.00 0.00 H new ATOM 0 HG LEU A 116 23.145 -7.784 91.680 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.778 -8.527 89.687 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.949 -6.756 89.726 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.945 -7.722 88.611 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.516 -9.989 90.614 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.704 -9.252 89.512 1.00 0.00 H new ATOM 0 HD23 LEU A 116 25.028 -9.309 91.261 1.00 0.00 H new ATOM 1779 N LEU A 117 27.483 -5.124 90.646 1.00 0.00 N ATOM 1780 CA LEU A 117 28.581 -4.564 89.813 1.00 0.00 C ATOM 1781 C LEU A 117 29.897 -5.190 90.280 1.00 0.00 C ATOM 1782 O LEU A 117 30.966 -4.880 89.800 1.00 0.00 O ATOM 1783 CB LEU A 117 28.548 -3.019 89.927 1.00 0.00 C ATOM 1784 CG LEU A 117 29.627 -2.451 90.882 1.00 0.00 C ATOM 1785 CD1 LEU A 117 30.995 -2.310 90.154 1.00 0.00 C ATOM 1786 CD2 LEU A 117 29.186 -1.057 91.411 1.00 0.00 C ATOM 0 H LEU A 117 27.140 -4.518 91.391 1.00 0.00 H new ATOM 0 HA LEU A 117 28.468 -4.802 88.755 1.00 0.00 H new ATOM 0 HB2 LEU A 117 28.685 -2.586 88.936 1.00 0.00 H new ATOM 0 HB3 LEU A 117 27.563 -2.709 90.277 1.00 0.00 H new ATOM 0 HG LEU A 117 29.740 -3.145 91.715 1.00 0.00 H new ATOM 0 HD11 LEU A 117 31.736 -1.909 90.846 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.321 -3.288 89.800 1.00 0.00 H new ATOM 0 HD13 LEU A 117 30.888 -1.634 89.306 1.00 0.00 H new ATOM 0 HD21 LEU A 117 29.950 -0.664 92.082 1.00 0.00 H new ATOM 0 HD22 LEU A 117 29.054 -0.374 90.572 1.00 0.00 H new ATOM 0 HD23 LEU A 117 28.244 -1.154 91.951 1.00 0.00 H new ATOM 1798 N GLN A 118 29.802 -6.121 91.191 1.00 0.00 N ATOM 1799 CA GLN A 118 31.017 -6.818 91.688 1.00 0.00 C ATOM 1800 C GLN A 118 31.609 -7.667 90.562 1.00 0.00 C ATOM 1801 O GLN A 118 30.843 -8.162 89.753 1.00 0.00 O ATOM 1802 CB GLN A 118 30.632 -7.718 92.880 1.00 0.00 C ATOM 1803 CG GLN A 118 30.003 -9.037 92.388 1.00 0.00 C ATOM 1804 CD GLN A 118 31.102 -10.055 92.058 1.00 0.00 C ATOM 1805 OE1 GLN A 118 31.744 -10.585 92.945 1.00 0.00 O ATOM 1806 NE2 GLN A 118 31.342 -10.357 90.811 1.00 0.00 N ATOM 1807 OXT GLN A 118 32.823 -7.796 90.520 1.00 0.00 O ATOM 0 H GLN A 118 28.926 -6.429 91.614 1.00 0.00 H new ATOM 0 HA GLN A 118 31.758 -6.088 92.013 1.00 0.00 H new ATOM 0 HB2 GLN A 118 31.516 -7.933 93.480 1.00 0.00 H new ATOM 0 HB3 GLN A 118 29.928 -7.193 93.526 1.00 0.00 H new ATOM 0 HG2 GLN A 118 29.341 -9.441 93.154 1.00 0.00 H new ATOM 0 HG3 GLN A 118 29.392 -8.850 91.505 1.00 0.00 H new ATOM 0 HE21 GLN A 118 30.804 -9.913 90.066 1.00 0.00 H new ATOM 0 HE22 GLN A 118 32.067 -11.037 90.581 1.00 0.00 H new