USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=23 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 108 THR OG1 : rot 180:sc= -0.295! USER MOD Set 1.2: A 110 ASN :FLIP amide:sc= -17.4! C(o=-22!,f=-18!) USER MOD Set 2.1: A 94 LYS NZ :NH3+ -169:sc= 0.38 (180deg=0) USER MOD Set 2.2: A 103 THR OG1 : rot -141:sc= -2.3! USER MOD Set 3.1: A 40 HIS : no HD1:sc= -3.41 X(o=-4.7,f=-4.8!) USER MOD Set 3.2: A 74 SER OG : rot 129:sc= -1.33 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl -116:sc= -0.453 (180deg=-4.43!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 139:sc= 0.0391 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.784 F(o=-3.7!,f=-0.78) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0329 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 70:sc= -1.65 USER MOD Single : A 45 CYS SG : rot 6:sc= -0.853! USER MOD Single : A 47 GLN :FLIP amide:sc= -3.11! C(o=-6.8!,f=-3.1!) USER MOD Single : A 57 LYS NZ :NH3+ 136:sc= 0.569 (180deg=-0.0512) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.797! C(o=-13!,f=-0.8!) USER MOD Single : A 66 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.103) USER MOD Single : A 67 HIS : no HD1:sc= 0.535 K(o=0.54,f=-5.2!) USER MOD Single : A 68 HIS : no HD1:sc= -1.82 K(o=-1.8,f=-3.6!) USER MOD Single : A 70 THR OG1 : rot 113:sc= -4.16! USER MOD Single : A 77 TYR OH : rot 130:sc= -0.523 USER MOD Single : A 80 HIS : no HD1:sc= -0.197 K(o=-0.2,f=-3.1!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -170:sc= -2.05 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+ 168:sc= -0.918 (180deg=-1.16!) USER MOD Single : A 95 THR OG1 : rot -74:sc= 0.915 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 158:sc= -0.94 (180deg=-1.73) USER MOD Single : A 118 GLN : amide:sc= -2.47! C(o=-2.5!,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -6.884 -8.181 85.843 1.00 0.00 N ATOM 44 CA LYS A 4 -6.649 -7.807 87.266 1.00 0.00 C ATOM 45 C LYS A 4 -6.155 -9.030 88.047 1.00 0.00 C ATOM 46 O LYS A 4 -5.042 -9.061 88.531 1.00 0.00 O ATOM 47 CB LYS A 4 -7.959 -7.305 87.878 1.00 0.00 C ATOM 48 CG LYS A 4 -8.460 -6.077 87.104 1.00 0.00 C ATOM 49 CD LYS A 4 -7.864 -4.805 87.708 1.00 0.00 C ATOM 50 CE LYS A 4 -8.168 -3.621 86.791 1.00 0.00 C ATOM 51 NZ LYS A 4 -7.463 -2.409 87.293 1.00 0.00 N ATOM 0 HA LYS A 4 -5.895 -7.021 87.316 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.710 -8.095 87.850 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.806 -7.048 88.926 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.179 -6.158 86.054 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.548 -6.032 87.140 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.282 -4.629 88.699 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.787 -4.917 87.831 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.849 -3.845 85.773 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.242 -3.441 86.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.670 -1.603 86.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.788 -2.193 88.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.438 -2.583 87.304 1.00 0.00 H new ATOM 65 N GLU A 5 -6.982 -10.032 88.177 1.00 0.00 N ATOM 66 CA GLU A 5 -6.575 -11.255 88.931 1.00 0.00 C ATOM 67 C GLU A 5 -5.167 -11.690 88.509 1.00 0.00 C ATOM 68 O GLU A 5 -4.440 -12.298 89.271 1.00 0.00 O ATOM 69 CB GLU A 5 -7.567 -12.381 88.631 1.00 0.00 C ATOM 70 CG GLU A 5 -7.455 -13.466 89.703 1.00 0.00 C ATOM 71 CD GLU A 5 -8.273 -14.686 89.280 1.00 0.00 C ATOM 72 OE1 GLU A 5 -9.484 -14.639 89.421 1.00 0.00 O ATOM 73 OE2 GLU A 5 -7.676 -15.642 88.814 1.00 0.00 O ATOM 0 H GLU A 5 -7.926 -10.057 87.792 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.573 -11.036 89.999 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.583 -11.986 88.604 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.364 -12.805 87.648 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.411 -13.746 89.845 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.816 -13.086 90.659 1.00 0.00 H new ATOM 80 N PHE A 6 -4.780 -11.392 87.301 1.00 0.00 N ATOM 81 CA PHE A 6 -3.425 -11.790 86.822 1.00 0.00 C ATOM 82 C PHE A 6 -2.375 -10.910 87.518 1.00 0.00 C ATOM 83 O PHE A 6 -1.638 -11.363 88.370 1.00 0.00 O ATOM 84 CB PHE A 6 -3.361 -11.586 85.301 1.00 0.00 C ATOM 85 CG PHE A 6 -2.319 -12.487 84.667 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.166 -12.877 85.369 1.00 0.00 C ATOM 87 CD2 PHE A 6 -2.513 -12.933 83.352 1.00 0.00 C ATOM 88 CE1 PHE A 6 -0.219 -13.706 84.755 1.00 0.00 C ATOM 89 CE2 PHE A 6 -1.563 -13.760 82.743 1.00 0.00 C ATOM 90 CZ PHE A 6 -0.417 -14.146 83.444 1.00 0.00 C ATOM 0 H PHE A 6 -5.347 -10.887 86.620 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.227 -12.836 87.055 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.338 -11.792 84.863 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.126 -10.544 85.081 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.010 -12.537 86.382 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -3.398 -12.637 82.808 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.666 -14.006 85.296 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.715 -14.101 81.730 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.315 -14.784 82.972 1.00 0.00 H new ATOM 100 N MET A 7 -2.296 -9.658 87.152 1.00 0.00 N ATOM 101 CA MET A 7 -1.288 -8.754 87.783 1.00 0.00 C ATOM 102 C MET A 7 -1.436 -8.766 89.312 1.00 0.00 C ATOM 103 O MET A 7 -0.463 -8.720 90.040 1.00 0.00 O ATOM 104 CB MET A 7 -1.486 -7.321 87.259 1.00 0.00 C ATOM 105 CG MET A 7 -2.566 -6.603 88.079 1.00 0.00 C ATOM 106 SD MET A 7 -3.029 -5.058 87.256 1.00 0.00 S ATOM 107 CE MET A 7 -3.965 -5.780 85.883 1.00 0.00 C ATOM 0 H MET A 7 -2.886 -9.222 86.443 1.00 0.00 H new ATOM 0 HA MET A 7 -0.290 -9.107 87.525 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.547 -6.771 87.319 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.774 -7.347 86.208 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.440 -7.245 88.188 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.196 -6.395 89.083 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.465 -5.551 84.942 1.00 0.00 H new ATOM 0 HE2 MET A 7 -4.021 -6.861 86.010 1.00 0.00 H new ATOM 0 HE3 MET A 7 -4.972 -5.363 85.870 1.00 0.00 H new ATOM 117 N TRP A 8 -2.644 -8.795 89.798 1.00 0.00 N ATOM 118 CA TRP A 8 -2.871 -8.773 91.273 1.00 0.00 C ATOM 119 C TRP A 8 -2.006 -9.816 91.995 1.00 0.00 C ATOM 120 O TRP A 8 -1.797 -9.728 93.189 1.00 0.00 O ATOM 121 CB TRP A 8 -4.344 -9.059 91.562 1.00 0.00 C ATOM 122 CG TRP A 8 -4.624 -8.742 92.991 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.632 -9.643 93.998 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.923 -7.450 93.592 1.00 0.00 C ATOM 125 NE1 TRP A 8 -4.921 -8.989 95.180 1.00 0.00 N ATOM 126 CE2 TRP A 8 -5.107 -7.634 94.982 1.00 0.00 C ATOM 127 CE3 TRP A 8 -5.053 -6.150 93.071 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -5.408 -6.567 95.827 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -5.355 -5.072 93.918 1.00 0.00 C ATOM 130 CH2 TRP A 8 -5.532 -5.280 95.294 1.00 0.00 C ATOM 0 H TRP A 8 -3.493 -8.833 89.233 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.593 -7.786 91.641 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.980 -8.459 90.911 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.573 -10.105 91.356 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.443 -10.701 93.896 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.989 -9.450 96.088 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.920 -5.980 92.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -5.544 -6.733 96.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -5.452 -4.077 93.508 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -5.764 -4.447 95.941 1.00 0.00 H new ATOM 141 N ALA A 9 -1.514 -10.808 91.303 1.00 0.00 N ATOM 142 CA ALA A 9 -0.682 -11.844 91.983 1.00 0.00 C ATOM 143 C ALA A 9 0.788 -11.419 91.992 1.00 0.00 C ATOM 144 O ALA A 9 1.429 -11.422 93.024 1.00 0.00 O ATOM 145 CB ALA A 9 -0.837 -13.185 91.270 1.00 0.00 C ATOM 0 H ALA A 9 -1.651 -10.946 90.302 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.021 -11.949 93.014 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.227 -13.936 91.772 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.883 -13.491 91.294 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.512 -13.086 90.234 1.00 0.00 H new ATOM 151 N LEU A 10 1.330 -11.039 90.864 1.00 0.00 N ATOM 152 CA LEU A 10 2.757 -10.596 90.841 1.00 0.00 C ATOM 153 C LEU A 10 2.919 -9.450 91.843 1.00 0.00 C ATOM 154 O LEU A 10 4.001 -8.939 92.063 1.00 0.00 O ATOM 155 CB LEU A 10 3.126 -10.078 89.440 1.00 0.00 C ATOM 156 CG LEU A 10 2.958 -11.183 88.379 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.621 -11.007 87.651 1.00 0.00 C ATOM 158 CD2 LEU A 10 4.093 -11.081 87.354 1.00 0.00 C ATOM 0 H LEU A 10 0.851 -11.016 89.964 1.00 0.00 H new ATOM 0 HA LEU A 10 3.405 -11.435 91.097 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.495 -9.226 89.186 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.156 -9.723 89.440 1.00 0.00 H new ATOM 0 HG LEU A 10 2.983 -12.155 88.872 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.508 -11.791 86.902 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.804 -11.071 88.370 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.598 -10.033 87.162 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.976 -11.862 86.603 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.060 -10.105 86.871 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.051 -11.204 87.859 1.00 0.00 H new ATOM 170 N LYS A 11 1.823 -9.025 92.410 1.00 0.00 N ATOM 171 CA LYS A 11 1.826 -7.881 93.370 1.00 0.00 C ATOM 172 C LYS A 11 2.055 -8.336 94.820 1.00 0.00 C ATOM 173 O LYS A 11 3.081 -8.068 95.413 1.00 0.00 O ATOM 174 CB LYS A 11 0.452 -7.202 93.277 1.00 0.00 C ATOM 175 CG LYS A 11 0.352 -6.043 94.279 1.00 0.00 C ATOM 176 CD LYS A 11 1.277 -4.899 93.836 1.00 0.00 C ATOM 177 CE LYS A 11 2.442 -4.787 94.813 1.00 0.00 C ATOM 178 NZ LYS A 11 3.470 -3.875 94.252 1.00 0.00 N ATOM 0 H LYS A 11 0.903 -9.432 92.244 1.00 0.00 H new ATOM 0 HA LYS A 11 2.641 -7.206 93.108 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.292 -6.830 92.265 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.334 -7.931 93.476 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.677 -5.689 94.340 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.631 -6.385 95.276 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.649 -5.086 92.829 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.724 -3.960 93.803 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.091 -4.410 95.773 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.874 -5.771 94.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.266 -3.797 94.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.812 -4.253 93.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.053 -2.934 94.099 1.00 0.00 H new ATOM 192 N ASN A 12 1.076 -8.969 95.408 1.00 0.00 N ATOM 193 CA ASN A 12 1.181 -9.383 96.836 1.00 0.00 C ATOM 194 C ASN A 12 1.970 -10.681 96.987 1.00 0.00 C ATOM 195 O ASN A 12 2.039 -11.246 98.059 1.00 0.00 O ATOM 196 CB ASN A 12 -0.234 -9.600 97.364 1.00 0.00 C ATOM 197 CG ASN A 12 -0.794 -8.281 97.895 1.00 0.00 C ATOM 198 OD1 ASN A 12 -1.793 -7.791 97.405 1.00 0.00 O ATOM 199 ND2 ASN A 12 -0.184 -7.679 98.877 1.00 0.00 N ATOM 0 H ASN A 12 0.198 -9.220 94.954 1.00 0.00 H new ATOM 0 HA ASN A 12 1.704 -8.606 97.394 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.874 -9.984 96.570 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.226 -10.348 98.157 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.545 -6.795 99.236 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.654 -8.092 99.287 1.00 0.00 H new ATOM 206 N GLY A 13 2.571 -11.162 95.945 1.00 0.00 N ATOM 207 CA GLY A 13 3.348 -12.415 96.071 1.00 0.00 C ATOM 208 C GLY A 13 2.413 -13.617 96.024 1.00 0.00 C ATOM 209 O GLY A 13 2.770 -14.703 96.431 1.00 0.00 O ATOM 0 H GLY A 13 2.559 -10.744 95.015 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.079 -12.481 95.265 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.905 -12.414 97.008 1.00 0.00 H new ATOM 213 N ASP A 14 1.225 -13.445 95.513 1.00 0.00 N ATOM 214 CA ASP A 14 0.299 -14.597 95.424 1.00 0.00 C ATOM 215 C ASP A 14 0.867 -15.560 94.394 1.00 0.00 C ATOM 216 O ASP A 14 0.217 -15.959 93.447 1.00 0.00 O ATOM 217 CB ASP A 14 -1.080 -14.127 94.992 1.00 0.00 C ATOM 218 CG ASP A 14 -1.382 -12.763 95.618 1.00 0.00 C ATOM 219 OD1 ASP A 14 -0.825 -12.479 96.666 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.163 -12.026 95.040 1.00 0.00 O ATOM 0 H ASP A 14 0.862 -12.561 95.157 1.00 0.00 H new ATOM 0 HA ASP A 14 0.201 -15.085 96.394 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.127 -14.057 93.905 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.834 -14.853 95.297 1.00 0.00 H new ATOM 225 N LEU A 15 2.097 -15.897 94.583 1.00 0.00 N ATOM 226 CA LEU A 15 2.808 -16.803 93.656 1.00 0.00 C ATOM 227 C LEU A 15 1.937 -18.019 93.330 1.00 0.00 C ATOM 228 O LEU A 15 2.025 -18.597 92.264 1.00 0.00 O ATOM 229 CB LEU A 15 4.110 -17.232 94.345 1.00 0.00 C ATOM 230 CG LEU A 15 4.951 -18.139 93.442 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.387 -19.566 93.456 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.972 -17.602 92.003 1.00 0.00 C ATOM 0 H LEU A 15 2.661 -15.572 95.368 1.00 0.00 H new ATOM 0 HA LEU A 15 3.028 -16.300 92.714 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.688 -16.348 94.615 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.877 -17.755 95.272 1.00 0.00 H new ATOM 0 HG LEU A 15 5.972 -18.152 93.824 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.992 -20.203 92.811 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.408 -19.956 94.474 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.359 -19.555 93.093 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.575 -18.261 91.378 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.954 -17.563 91.614 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.402 -16.600 91.995 1.00 0.00 H new ATOM 244 N ASP A 16 1.094 -18.406 94.237 1.00 0.00 N ATOM 245 CA ASP A 16 0.209 -19.571 93.994 1.00 0.00 C ATOM 246 C ASP A 16 -0.771 -19.245 92.857 1.00 0.00 C ATOM 247 O ASP A 16 -1.200 -20.115 92.118 1.00 0.00 O ATOM 248 CB ASP A 16 -0.576 -19.853 95.276 1.00 0.00 C ATOM 249 CG ASP A 16 0.360 -19.756 96.480 1.00 0.00 C ATOM 250 OD1 ASP A 16 1.157 -20.662 96.659 1.00 0.00 O ATOM 251 OD2 ASP A 16 0.267 -18.777 97.200 1.00 0.00 O ATOM 0 H ASP A 16 0.978 -17.960 95.147 1.00 0.00 H new ATOM 0 HA ASP A 16 0.802 -20.441 93.714 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.393 -19.139 95.379 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.024 -20.846 95.230 1.00 0.00 H new ATOM 256 N GLU A 17 -1.140 -17.996 92.734 1.00 0.00 N ATOM 257 CA GLU A 17 -2.110 -17.585 91.677 1.00 0.00 C ATOM 258 C GLU A 17 -1.414 -17.472 90.311 1.00 0.00 C ATOM 259 O GLU A 17 -1.914 -17.961 89.317 1.00 0.00 O ATOM 260 CB GLU A 17 -2.726 -16.235 92.070 1.00 0.00 C ATOM 261 CG GLU A 17 -3.486 -15.628 90.885 1.00 0.00 C ATOM 262 CD GLU A 17 -4.465 -16.657 90.314 1.00 0.00 C ATOM 263 OE1 GLU A 17 -5.413 -16.992 91.006 1.00 0.00 O ATOM 264 OE2 GLU A 17 -4.252 -17.091 89.194 1.00 0.00 O ATOM 0 H GLU A 17 -0.807 -17.236 93.327 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.892 -18.340 91.593 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.403 -16.369 92.914 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.942 -15.551 92.396 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.026 -14.737 91.206 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.783 -15.314 90.113 1.00 0.00 H new ATOM 271 N VAL A 18 -0.270 -16.843 90.238 1.00 0.00 N ATOM 272 CA VAL A 18 0.411 -16.726 88.913 1.00 0.00 C ATOM 273 C VAL A 18 0.876 -18.110 88.468 1.00 0.00 C ATOM 274 O VAL A 18 0.972 -18.391 87.289 1.00 0.00 O ATOM 275 CB VAL A 18 1.631 -15.798 89.025 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.246 -14.346 88.689 1.00 0.00 C ATOM 277 CG2 VAL A 18 2.185 -15.875 90.448 1.00 0.00 C ATOM 0 H VAL A 18 0.216 -16.411 91.024 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.288 -16.311 88.187 1.00 0.00 H new ATOM 0 HB VAL A 18 2.390 -16.120 88.312 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.125 -13.707 88.775 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.861 -14.298 87.670 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.479 -14.003 89.383 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.051 -15.220 90.537 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.417 -15.560 91.155 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.482 -16.901 90.668 1.00 0.00 H new ATOM 287 N LYS A 19 1.161 -18.977 89.397 1.00 0.00 N ATOM 288 CA LYS A 19 1.616 -20.341 89.014 1.00 0.00 C ATOM 289 C LYS A 19 0.479 -21.044 88.274 1.00 0.00 C ATOM 290 O LYS A 19 0.695 -21.929 87.469 1.00 0.00 O ATOM 291 CB LYS A 19 2.007 -21.140 90.277 1.00 0.00 C ATOM 292 CG LYS A 19 3.446 -21.647 90.143 1.00 0.00 C ATOM 293 CD LYS A 19 3.813 -22.522 91.350 1.00 0.00 C ATOM 294 CE LYS A 19 5.344 -22.616 91.475 1.00 0.00 C ATOM 295 NZ LYS A 19 5.734 -23.999 91.864 1.00 0.00 N ATOM 0 H LYS A 19 1.099 -18.802 90.400 1.00 0.00 H new ATOM 0 HA LYS A 19 2.490 -20.274 88.366 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.914 -20.509 91.161 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.326 -21.980 90.412 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.553 -22.221 89.222 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.132 -20.803 90.074 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.389 -22.099 92.261 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.386 -23.518 91.233 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.812 -22.349 90.528 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.702 -21.904 92.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.769 -24.057 91.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.299 -24.238 92.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.407 -24.669 91.139 1.00 0.00 H new ATOM 309 N ASP A 20 -0.729 -20.647 88.549 1.00 0.00 N ATOM 310 CA ASP A 20 -1.906 -21.271 87.881 1.00 0.00 C ATOM 311 C ASP A 20 -1.975 -20.852 86.400 1.00 0.00 C ATOM 312 O ASP A 20 -2.252 -21.655 85.525 1.00 0.00 O ATOM 313 CB ASP A 20 -3.185 -20.815 88.599 1.00 0.00 C ATOM 314 CG ASP A 20 -4.400 -21.528 87.998 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.754 -21.210 86.875 1.00 0.00 O ATOM 316 OD2 ASP A 20 -4.960 -22.377 88.675 1.00 0.00 O ATOM 0 H ASP A 20 -0.956 -19.909 89.215 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.810 -22.356 87.931 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.113 -21.035 89.664 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.301 -19.735 88.503 1.00 0.00 H new ATOM 321 N TYR A 21 -1.754 -19.594 86.112 1.00 0.00 N ATOM 322 CA TYR A 21 -1.842 -19.120 84.693 1.00 0.00 C ATOM 323 C TYR A 21 -0.812 -19.830 83.801 1.00 0.00 C ATOM 324 O TYR A 21 -1.173 -20.512 82.862 1.00 0.00 O ATOM 325 CB TYR A 21 -1.604 -17.605 84.637 1.00 0.00 C ATOM 326 CG TYR A 21 -2.885 -16.871 84.974 1.00 0.00 C ATOM 327 CD1 TYR A 21 -3.863 -16.679 83.990 1.00 0.00 C ATOM 328 CD2 TYR A 21 -3.091 -16.382 86.270 1.00 0.00 C ATOM 329 CE1 TYR A 21 -5.047 -15.998 84.301 1.00 0.00 C ATOM 330 CE2 TYR A 21 -4.276 -15.701 86.581 1.00 0.00 C ATOM 331 CZ TYR A 21 -5.253 -15.510 85.597 1.00 0.00 C ATOM 332 OH TYR A 21 -6.420 -14.840 85.905 1.00 0.00 O ATOM 0 H TYR A 21 -1.517 -18.875 86.795 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.839 -19.356 84.321 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.818 -17.325 85.339 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.261 -17.318 83.643 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.704 -17.056 82.991 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.337 -16.530 87.029 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.800 -15.850 83.542 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.435 -15.324 87.580 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.731 -15.116 86.792 1.00 0.00 H new ATOM 342 N VAL A 22 0.460 -19.663 84.058 1.00 0.00 N ATOM 343 CA VAL A 22 1.478 -20.322 83.186 1.00 0.00 C ATOM 344 C VAL A 22 1.364 -21.838 83.319 1.00 0.00 C ATOM 345 O VAL A 22 1.834 -22.576 82.476 1.00 0.00 O ATOM 346 CB VAL A 22 2.888 -19.869 83.571 1.00 0.00 C ATOM 347 CG1 VAL A 22 3.196 -20.289 85.002 1.00 0.00 C ATOM 348 CG2 VAL A 22 3.904 -20.511 82.623 1.00 0.00 C ATOM 0 H VAL A 22 0.835 -19.105 84.825 1.00 0.00 H new ATOM 0 HA VAL A 22 1.293 -20.035 82.151 1.00 0.00 H new ATOM 0 HB VAL A 22 2.949 -18.783 83.496 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.201 -19.963 85.269 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.475 -19.831 85.679 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.133 -21.374 85.084 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.909 -20.190 82.895 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.837 -21.596 82.699 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.690 -20.205 81.599 1.00 0.00 H new ATOM 358 N ALA A 23 0.732 -22.318 84.355 1.00 0.00 N ATOM 359 CA ALA A 23 0.593 -23.790 84.495 1.00 0.00 C ATOM 360 C ALA A 23 -0.077 -24.300 83.224 1.00 0.00 C ATOM 361 O ALA A 23 0.054 -25.448 82.848 1.00 0.00 O ATOM 362 CB ALA A 23 -0.276 -24.124 85.714 1.00 0.00 C ATOM 0 H ALA A 23 0.312 -21.762 85.100 1.00 0.00 H new ATOM 0 HA ALA A 23 1.567 -24.258 84.637 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.371 -25.206 85.807 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.189 -23.722 86.614 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.264 -23.682 85.588 1.00 0.00 H new ATOM 368 N LYS A 24 -0.770 -23.430 82.545 1.00 0.00 N ATOM 369 CA LYS A 24 -1.433 -23.824 81.277 1.00 0.00 C ATOM 370 C LYS A 24 -0.367 -24.360 80.318 1.00 0.00 C ATOM 371 O LYS A 24 -0.184 -25.554 80.181 1.00 0.00 O ATOM 372 CB LYS A 24 -2.111 -22.596 80.654 1.00 0.00 C ATOM 373 CG LYS A 24 -3.523 -22.428 81.224 1.00 0.00 C ATOM 374 CD LYS A 24 -4.509 -23.294 80.433 1.00 0.00 C ATOM 375 CE LYS A 24 -5.715 -23.623 81.312 1.00 0.00 C ATOM 376 NZ LYS A 24 -6.829 -24.120 80.460 1.00 0.00 N ATOM 0 H LYS A 24 -0.905 -22.457 82.818 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.184 -24.590 81.468 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.520 -21.703 80.857 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.159 -22.708 79.571 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.537 -22.714 82.276 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.823 -21.381 81.174 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.833 -22.768 79.535 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.022 -24.213 80.106 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.445 -24.377 82.052 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.031 -22.736 81.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.650 -24.344 81.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.092 -23.387 79.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.524 -24.977 79.955 1.00 0.00 H new ATOM 390 N GLY A 25 0.340 -23.484 79.657 1.00 0.00 N ATOM 391 CA GLY A 25 1.395 -23.944 78.712 1.00 0.00 C ATOM 392 C GLY A 25 2.369 -22.808 78.386 1.00 0.00 C ATOM 393 O GLY A 25 2.215 -22.109 77.405 1.00 0.00 O ATOM 0 H GLY A 25 0.232 -22.472 79.731 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.940 -24.781 79.148 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.933 -24.307 77.794 1.00 0.00 H new ATOM 397 N GLU A 26 3.378 -22.644 79.199 1.00 0.00 N ATOM 398 CA GLU A 26 4.409 -21.582 78.963 1.00 0.00 C ATOM 399 C GLU A 26 3.789 -20.332 78.322 1.00 0.00 C ATOM 400 O GLU A 26 3.613 -20.253 77.123 1.00 0.00 O ATOM 401 CB GLU A 26 5.533 -22.129 78.069 1.00 0.00 C ATOM 402 CG GLU A 26 4.956 -23.050 76.992 1.00 0.00 C ATOM 403 CD GLU A 26 6.081 -23.513 76.069 1.00 0.00 C ATOM 404 OE1 GLU A 26 6.754 -24.469 76.418 1.00 0.00 O ATOM 405 OE2 GLU A 26 6.251 -22.902 75.027 1.00 0.00 O ATOM 0 H GLU A 26 3.537 -23.210 80.033 1.00 0.00 H new ATOM 0 HA GLU A 26 4.823 -21.294 79.930 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.069 -21.303 77.601 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.255 -22.676 78.675 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.472 -23.910 77.454 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.192 -22.524 76.419 1.00 0.00 H new ATOM 412 N ASP A 27 3.491 -19.345 79.122 1.00 0.00 N ATOM 413 CA ASP A 27 2.917 -18.076 78.589 1.00 0.00 C ATOM 414 C ASP A 27 3.520 -16.921 79.380 1.00 0.00 C ATOM 415 O ASP A 27 2.831 -16.011 79.794 1.00 0.00 O ATOM 416 CB ASP A 27 1.395 -18.067 78.764 1.00 0.00 C ATOM 417 CG ASP A 27 0.799 -19.352 78.189 1.00 0.00 C ATOM 418 OD1 ASP A 27 0.758 -19.472 76.977 1.00 0.00 O ATOM 419 OD2 ASP A 27 0.385 -20.191 78.973 1.00 0.00 O ATOM 0 H ASP A 27 3.622 -19.364 80.133 1.00 0.00 H new ATOM 0 HA ASP A 27 3.145 -17.982 77.527 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.142 -17.979 79.821 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.967 -17.200 78.261 1.00 0.00 H new ATOM 424 N VAL A 28 4.805 -16.964 79.613 1.00 0.00 N ATOM 425 CA VAL A 28 5.460 -15.882 80.399 1.00 0.00 C ATOM 426 C VAL A 28 6.107 -14.866 79.456 1.00 0.00 C ATOM 427 O VAL A 28 7.308 -14.674 79.448 1.00 0.00 O ATOM 428 CB VAL A 28 6.519 -16.504 81.309 1.00 0.00 C ATOM 429 CG1 VAL A 28 5.825 -17.390 82.347 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.486 -17.359 80.478 1.00 0.00 C ATOM 0 H VAL A 28 5.429 -17.704 79.292 1.00 0.00 H new ATOM 0 HA VAL A 28 4.715 -15.365 81.004 1.00 0.00 H new ATOM 0 HB VAL A 28 7.079 -15.713 81.807 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.573 -17.838 83.001 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.139 -16.786 82.941 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.268 -18.178 81.839 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.238 -17.799 81.133 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.932 -18.153 79.977 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.976 -16.733 79.732 1.00 0.00 H new ATOM 440 N ASN A 29 5.308 -14.205 78.670 1.00 0.00 N ATOM 441 CA ASN A 29 5.840 -13.193 77.733 1.00 0.00 C ATOM 442 C ASN A 29 4.659 -12.489 77.064 1.00 0.00 C ATOM 443 O ASN A 29 4.682 -12.182 75.889 1.00 0.00 O ATOM 444 CB ASN A 29 6.716 -13.872 76.680 1.00 0.00 C ATOM 445 CG ASN A 29 6.061 -15.173 76.219 1.00 0.00 C ATOM 446 OD1 ASN A 29 6.141 -16.232 76.973 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 5.474 -15.226 75.157 1.00 0.00 N flip ATOM 0 H ASN A 29 4.296 -14.328 78.640 1.00 0.00 H new ATOM 0 HA ASN A 29 6.449 -12.465 78.269 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.860 -13.206 75.829 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.703 -14.078 77.094 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.412 -14.396 74.567 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.043 -16.100 74.855 1.00 0.00 H new ATOM 454 N ARG A 30 3.626 -12.231 77.823 1.00 0.00 N ATOM 455 CA ARG A 30 2.425 -11.543 77.276 1.00 0.00 C ATOM 456 C ARG A 30 2.393 -10.113 77.809 1.00 0.00 C ATOM 457 O ARG A 30 2.617 -9.876 78.979 1.00 0.00 O ATOM 458 CB ARG A 30 1.157 -12.267 77.736 1.00 0.00 C ATOM 459 CG ARG A 30 1.168 -13.716 77.246 1.00 0.00 C ATOM 460 CD ARG A 30 -0.255 -14.275 77.320 1.00 0.00 C ATOM 461 NE ARG A 30 -0.265 -15.695 76.849 1.00 0.00 N ATOM 462 CZ ARG A 30 0.164 -16.021 75.660 1.00 0.00 C ATOM 463 NH1 ARG A 30 0.475 -15.095 74.793 1.00 0.00 N ATOM 464 NH2 ARG A 30 0.244 -17.278 75.326 1.00 0.00 N ATOM 0 H ARG A 30 3.566 -12.472 78.812 1.00 0.00 H new ATOM 0 HA ARG A 30 2.470 -11.545 76.187 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.091 -12.244 78.824 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.276 -11.752 77.352 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.540 -13.765 76.222 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.841 -14.316 77.858 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.625 -14.219 78.344 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.925 -13.673 76.705 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.615 -16.424 77.471 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.383 -14.110 75.043 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.810 -15.356 73.866 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.028 -18.001 75.992 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.578 -17.539 74.398 1.00 0.00 H new ATOM 478 N THR A 31 2.114 -9.158 76.971 1.00 0.00 N ATOM 479 CA THR A 31 2.071 -7.751 77.457 1.00 0.00 C ATOM 480 C THR A 31 1.093 -7.661 78.630 1.00 0.00 C ATOM 481 O THR A 31 -0.100 -7.501 78.458 1.00 0.00 O ATOM 482 CB THR A 31 1.632 -6.813 76.328 1.00 0.00 C ATOM 483 OG1 THR A 31 2.208 -7.249 75.104 1.00 0.00 O ATOM 484 CG2 THR A 31 2.106 -5.390 76.635 1.00 0.00 C ATOM 0 H THR A 31 1.915 -9.287 75.979 1.00 0.00 H new ATOM 0 HA THR A 31 3.065 -7.448 77.786 1.00 0.00 H new ATOM 0 HB THR A 31 0.545 -6.824 76.245 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.928 -6.652 74.379 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.794 -4.722 75.832 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.669 -5.056 77.576 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.193 -5.378 76.716 1.00 0.00 H new ATOM 492 N LEU A 32 1.610 -7.781 79.820 1.00 0.00 N ATOM 493 CA LEU A 32 0.769 -7.728 81.051 1.00 0.00 C ATOM 494 C LEU A 32 -0.398 -6.744 80.879 1.00 0.00 C ATOM 495 O LEU A 32 -1.457 -7.102 80.403 1.00 0.00 O ATOM 496 CB LEU A 32 1.669 -7.282 82.206 1.00 0.00 C ATOM 497 CG LEU A 32 0.985 -7.515 83.563 1.00 0.00 C ATOM 498 CD1 LEU A 32 2.048 -7.576 84.670 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.012 -6.365 83.865 1.00 0.00 C ATOM 0 H LEU A 32 2.605 -7.917 79.996 1.00 0.00 H new ATOM 0 HA LEU A 32 0.340 -8.710 81.251 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.610 -7.831 82.171 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.912 -6.225 82.095 1.00 0.00 H new ATOM 0 HG LEU A 32 0.435 -8.455 83.525 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.563 -7.741 85.632 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.738 -8.395 84.467 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.598 -6.636 84.698 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.468 -6.538 84.828 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.560 -5.423 83.897 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.747 -6.316 83.085 1.00 0.00 H new ATOM 511 N GLU A 33 -0.217 -5.516 81.289 1.00 0.00 N ATOM 512 CA GLU A 33 -1.308 -4.505 81.186 1.00 0.00 C ATOM 513 C GLU A 33 -1.523 -4.104 79.719 1.00 0.00 C ATOM 514 O GLU A 33 -2.530 -4.432 79.122 1.00 0.00 O ATOM 515 CB GLU A 33 -0.911 -3.289 82.037 1.00 0.00 C ATOM 516 CG GLU A 33 -1.650 -2.030 81.579 1.00 0.00 C ATOM 517 CD GLU A 33 -1.451 -0.932 82.622 1.00 0.00 C ATOM 518 OE1 GLU A 33 -2.232 -0.884 83.558 1.00 0.00 O ATOM 519 OE2 GLU A 33 -0.511 -0.169 82.477 1.00 0.00 O ATOM 0 H GLU A 33 0.651 -5.168 81.696 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.247 -4.919 81.553 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.137 -3.486 83.085 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.165 -3.128 81.967 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.272 -1.703 80.610 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.712 -2.241 81.452 1.00 0.00 H new ATOM 526 N GLY A 34 -0.594 -3.398 79.131 1.00 0.00 N ATOM 527 CA GLY A 34 -0.757 -2.981 77.704 1.00 0.00 C ATOM 528 C GLY A 34 0.621 -2.703 77.104 1.00 0.00 C ATOM 529 O GLY A 34 0.780 -2.558 75.908 1.00 0.00 O ATOM 0 H GLY A 34 0.271 -3.091 79.576 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.262 -3.764 77.139 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.381 -2.090 77.642 1.00 0.00 H new ATOM 533 N GLY A 35 1.617 -2.641 77.940 1.00 0.00 N ATOM 534 CA GLY A 35 3.004 -2.389 77.466 1.00 0.00 C ATOM 535 C GLY A 35 3.967 -2.792 78.581 1.00 0.00 C ATOM 536 O GLY A 35 5.042 -2.242 78.720 1.00 0.00 O ATOM 0 H GLY A 35 1.527 -2.756 78.949 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.207 -2.963 76.562 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.134 -1.337 77.212 1.00 0.00 H new ATOM 540 N ARG A 36 3.569 -3.738 79.395 1.00 0.00 N ATOM 541 CA ARG A 36 4.433 -4.175 80.528 1.00 0.00 C ATOM 542 C ARG A 36 4.469 -5.712 80.606 1.00 0.00 C ATOM 543 O ARG A 36 3.518 -6.390 80.264 1.00 0.00 O ATOM 544 CB ARG A 36 3.863 -3.589 81.828 1.00 0.00 C ATOM 545 CG ARG A 36 3.234 -2.218 81.533 1.00 0.00 C ATOM 546 CD ARG A 36 2.807 -1.540 82.840 1.00 0.00 C ATOM 547 NE ARG A 36 2.731 -0.064 82.639 1.00 0.00 N ATOM 548 CZ ARG A 36 2.067 0.678 83.485 1.00 0.00 C ATOM 549 NH1 ARG A 36 1.404 0.121 84.462 1.00 0.00 N ATOM 550 NH2 ARG A 36 2.049 1.977 83.344 1.00 0.00 N ATOM 0 H ARG A 36 2.677 -4.227 79.321 1.00 0.00 H new ATOM 0 HA ARG A 36 5.452 -3.819 80.377 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.115 -4.262 82.247 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.653 -3.487 82.572 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.949 -1.588 81.004 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.371 -2.339 80.878 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.838 -1.923 83.160 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.519 -1.773 83.631 1.00 0.00 H new ATOM 0 HE ARG A 36 3.198 0.366 81.841 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.404 -0.894 84.565 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.886 0.701 85.122 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.554 2.413 82.573 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.530 2.555 84.005 1.00 0.00 H new ATOM 564 N LYS A 37 5.577 -6.258 81.044 1.00 0.00 N ATOM 565 CA LYS A 37 5.722 -7.749 81.147 1.00 0.00 C ATOM 566 C LYS A 37 5.553 -8.192 82.625 1.00 0.00 C ATOM 567 O LYS A 37 5.696 -7.391 83.524 1.00 0.00 O ATOM 568 CB LYS A 37 7.118 -8.133 80.640 1.00 0.00 C ATOM 569 CG LYS A 37 8.096 -7.002 80.956 1.00 0.00 C ATOM 570 CD LYS A 37 8.045 -6.678 82.456 1.00 0.00 C ATOM 571 CE LYS A 37 9.276 -5.870 82.854 1.00 0.00 C ATOM 572 NZ LYS A 37 9.110 -4.455 82.409 1.00 0.00 N ATOM 0 H LYS A 37 6.398 -5.730 81.339 1.00 0.00 H new ATOM 0 HA LYS A 37 4.958 -8.245 80.548 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.448 -9.058 81.113 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.090 -8.316 79.566 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.107 -7.292 80.671 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.843 -6.116 80.374 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.140 -6.115 82.685 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.002 -7.600 83.035 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.415 -5.908 83.934 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.169 -6.302 82.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.950 -3.905 82.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.997 -4.427 81.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.267 -4.046 82.860 1.00 0.00 H new ATOM 586 N PRO A 38 5.231 -9.455 82.832 1.00 0.00 N ATOM 587 CA PRO A 38 5.014 -10.013 84.197 1.00 0.00 C ATOM 588 C PRO A 38 6.309 -10.098 85.039 1.00 0.00 C ATOM 589 O PRO A 38 6.502 -11.062 85.755 1.00 0.00 O ATOM 590 CB PRO A 38 4.479 -11.436 83.941 1.00 0.00 C ATOM 591 CG PRO A 38 4.698 -11.751 82.442 1.00 0.00 C ATOM 592 CD PRO A 38 5.038 -10.430 81.737 1.00 0.00 C ATOM 0 HA PRO A 38 4.340 -9.373 84.767 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.002 -12.160 84.566 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.421 -11.500 84.196 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.506 -12.472 82.316 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.803 -12.197 82.009 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.938 -10.526 81.130 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.234 -10.120 81.069 1.00 0.00 H new ATOM 600 N LEU A 39 7.187 -9.119 84.989 1.00 0.00 N ATOM 601 CA LEU A 39 8.440 -9.212 85.820 1.00 0.00 C ATOM 602 C LEU A 39 8.664 -7.905 86.597 1.00 0.00 C ATOM 603 O LEU A 39 9.419 -7.864 87.548 1.00 0.00 O ATOM 604 CB LEU A 39 9.640 -9.475 84.887 1.00 0.00 C ATOM 605 CG LEU A 39 10.884 -10.054 85.626 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.531 -10.730 86.954 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.564 -11.088 84.717 1.00 0.00 C ATOM 0 H LEU A 39 7.096 -8.276 84.422 1.00 0.00 H new ATOM 0 HA LEU A 39 8.339 -10.028 86.536 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.336 -10.170 84.104 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.920 -8.543 84.396 1.00 0.00 H new ATOM 0 HG LEU A 39 11.544 -9.216 85.850 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.439 -11.113 87.420 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.060 -10.005 87.618 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.842 -11.555 86.771 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.436 -11.500 85.224 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.862 -11.891 84.491 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.876 -10.608 83.790 1.00 0.00 H new ATOM 619 N HIS A 40 8.021 -6.838 86.208 1.00 0.00 N ATOM 620 CA HIS A 40 8.221 -5.540 86.929 1.00 0.00 C ATOM 621 C HIS A 40 7.542 -5.588 88.299 1.00 0.00 C ATOM 622 O HIS A 40 8.130 -5.247 89.308 1.00 0.00 O ATOM 623 CB HIS A 40 7.602 -4.405 86.108 1.00 0.00 C ATOM 624 CG HIS A 40 7.796 -3.096 86.827 1.00 0.00 C ATOM 625 ND1 HIS A 40 8.865 -2.258 86.556 1.00 0.00 N ATOM 626 CD2 HIS A 40 7.064 -2.466 87.804 1.00 0.00 C ATOM 627 CE1 HIS A 40 8.750 -1.181 87.354 1.00 0.00 C ATOM 628 NE2 HIS A 40 7.669 -1.257 88.134 1.00 0.00 N ATOM 0 H HIS A 40 7.367 -6.804 85.426 1.00 0.00 H new ATOM 0 HA HIS A 40 9.289 -5.370 87.062 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.065 -4.362 85.122 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.539 -4.592 85.953 1.00 0.00 H new ATOM 0 HD2 HIS A 40 6.158 -2.850 88.248 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.447 -0.356 87.363 1.00 0.00 H new ATOM 0 HE2 HIS A 40 7.354 -0.575 88.824 1.00 0.00 H new ATOM 636 N TYR A 41 6.312 -6.007 88.342 1.00 0.00 N ATOM 637 CA TYR A 41 5.590 -6.078 89.641 1.00 0.00 C ATOM 638 C TYR A 41 6.222 -7.169 90.492 1.00 0.00 C ATOM 639 O TYR A 41 6.361 -7.041 91.692 1.00 0.00 O ATOM 640 CB TYR A 41 4.128 -6.412 89.367 1.00 0.00 C ATOM 641 CG TYR A 41 3.647 -5.525 88.248 1.00 0.00 C ATOM 642 CD1 TYR A 41 3.976 -5.829 86.920 1.00 0.00 C ATOM 643 CD2 TYR A 41 2.891 -4.388 88.542 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.545 -4.990 85.888 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.457 -3.552 87.510 1.00 0.00 C ATOM 646 CZ TYR A 41 2.784 -3.852 86.183 1.00 0.00 C ATOM 647 OH TYR A 41 2.357 -3.026 85.163 1.00 0.00 O ATOM 0 H TYR A 41 5.772 -6.305 87.530 1.00 0.00 H new ATOM 0 HA TYR A 41 5.652 -5.127 90.169 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.022 -7.462 89.093 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.527 -6.254 90.263 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.561 -6.709 86.695 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.642 -4.155 89.567 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.799 -5.219 84.864 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.869 -2.675 87.736 1.00 0.00 H new ATOM 0 HH TYR A 41 1.671 -3.485 84.636 1.00 0.00 H new ATOM 657 N ALA A 42 6.627 -8.236 89.871 1.00 0.00 N ATOM 658 CA ALA A 42 7.274 -9.332 90.632 1.00 0.00 C ATOM 659 C ALA A 42 8.617 -8.824 91.137 1.00 0.00 C ATOM 660 O ALA A 42 8.904 -8.830 92.317 1.00 0.00 O ATOM 661 CB ALA A 42 7.509 -10.518 89.699 1.00 0.00 C ATOM 0 H ALA A 42 6.538 -8.396 88.868 1.00 0.00 H new ATOM 0 HA ALA A 42 6.643 -9.643 91.465 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.985 -11.328 90.252 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.555 -10.862 89.301 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.156 -10.212 88.877 1.00 0.00 H new ATOM 667 N ALA A 43 9.440 -8.377 90.239 1.00 0.00 N ATOM 668 CA ALA A 43 10.769 -7.863 90.641 1.00 0.00 C ATOM 669 C ALA A 43 10.595 -6.798 91.731 1.00 0.00 C ATOM 670 O ALA A 43 11.087 -6.935 92.834 1.00 0.00 O ATOM 671 CB ALA A 43 11.434 -7.224 89.418 1.00 0.00 C ATOM 0 H ALA A 43 9.248 -8.346 89.238 1.00 0.00 H new ATOM 0 HA ALA A 43 11.384 -8.678 91.024 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.415 -6.840 89.697 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.547 -7.972 88.633 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.814 -6.405 89.053 1.00 0.00 H new ATOM 677 N ASP A 44 9.911 -5.732 91.413 1.00 0.00 N ATOM 678 CA ASP A 44 9.713 -4.624 92.393 1.00 0.00 C ATOM 679 C ASP A 44 9.074 -5.115 93.695 1.00 0.00 C ATOM 680 O ASP A 44 9.383 -4.618 94.758 1.00 0.00 O ATOM 681 CB ASP A 44 8.806 -3.563 91.771 1.00 0.00 C ATOM 682 CG ASP A 44 9.585 -2.787 90.710 1.00 0.00 C ATOM 683 OD1 ASP A 44 10.617 -2.236 91.052 1.00 0.00 O ATOM 684 OD2 ASP A 44 9.138 -2.760 89.576 1.00 0.00 O ATOM 0 H ASP A 44 9.475 -5.580 90.504 1.00 0.00 H new ATOM 0 HA ASP A 44 10.694 -4.212 92.631 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.931 -4.034 91.323 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.443 -2.883 92.541 1.00 0.00 H new ATOM 689 N CYS A 45 8.179 -6.060 93.635 1.00 0.00 N ATOM 690 CA CYS A 45 7.524 -6.527 94.893 1.00 0.00 C ATOM 691 C CYS A 45 6.944 -7.918 94.681 1.00 0.00 C ATOM 692 O CYS A 45 5.750 -8.122 94.760 1.00 0.00 O ATOM 693 CB CYS A 45 6.378 -5.578 95.253 1.00 0.00 C ATOM 694 SG CYS A 45 7.036 -3.943 95.662 1.00 0.00 S ATOM 0 H CYS A 45 7.873 -6.526 92.781 1.00 0.00 H new ATOM 0 HA CYS A 45 8.264 -6.547 95.693 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.682 -5.501 94.417 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.817 -5.976 96.099 1.00 0.00 H new ATOM 0 HG CYS A 45 8.315 -3.920 95.431 1.00 0.00 H new ATOM 700 N GLY A 46 7.781 -8.877 94.415 1.00 0.00 N ATOM 701 CA GLY A 46 7.284 -10.267 94.199 1.00 0.00 C ATOM 702 C GLY A 46 7.767 -11.161 95.335 1.00 0.00 C ATOM 703 O GLY A 46 7.978 -12.342 95.151 1.00 0.00 O ATOM 0 H GLY A 46 8.791 -8.761 94.337 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.195 -10.273 94.155 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.643 -10.649 93.243 1.00 0.00 H new ATOM 707 N GLN A 47 7.978 -10.614 96.503 1.00 0.00 N ATOM 708 CA GLN A 47 8.484 -11.456 97.621 1.00 0.00 C ATOM 709 C GLN A 47 9.741 -12.169 97.116 1.00 0.00 C ATOM 710 O GLN A 47 10.251 -13.091 97.721 1.00 0.00 O ATOM 711 CB GLN A 47 7.408 -12.466 98.038 1.00 0.00 C ATOM 712 CG GLN A 47 6.325 -11.751 98.852 1.00 0.00 C ATOM 713 CD GLN A 47 5.905 -10.460 98.146 1.00 0.00 C ATOM 714 OE1 GLN A 47 5.411 -10.520 96.940 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 6.026 -9.385 98.698 1.00 0.00 N flip ATOM 0 H GLN A 47 7.823 -9.631 96.728 1.00 0.00 H new ATOM 0 HA GLN A 47 8.723 -10.852 98.496 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.968 -12.930 97.155 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.854 -13.266 98.629 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.461 -12.404 98.976 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.699 -11.524 99.850 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.412 -9.336 99.641 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.742 -8.531 98.219 1.00 0.00 H new ATOM 724 N LEU A 48 10.233 -11.704 96.002 1.00 0.00 N ATOM 725 CA LEU A 48 11.465 -12.264 95.377 1.00 0.00 C ATOM 726 C LEU A 48 11.280 -13.726 94.983 1.00 0.00 C ATOM 727 O LEU A 48 12.178 -14.356 94.462 1.00 0.00 O ATOM 728 CB LEU A 48 12.641 -12.128 96.335 1.00 0.00 C ATOM 729 CG LEU A 48 13.046 -10.645 96.522 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.339 -9.718 95.516 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.698 -10.194 97.944 1.00 0.00 C ATOM 0 H LEU A 48 9.817 -10.932 95.481 1.00 0.00 H new ATOM 0 HA LEU A 48 11.667 -11.697 94.468 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.378 -12.560 97.301 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.491 -12.694 95.954 1.00 0.00 H new ATOM 0 HG LEU A 48 14.120 -10.576 96.347 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.654 -8.689 95.686 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.602 -10.015 94.501 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.260 -9.793 95.648 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.983 -9.150 98.075 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.626 -10.300 98.107 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.237 -10.810 98.663 1.00 0.00 H new ATOM 743 N GLU A 49 10.130 -14.264 95.208 1.00 0.00 N ATOM 744 CA GLU A 49 9.874 -15.673 94.820 1.00 0.00 C ATOM 745 C GLU A 49 9.215 -15.690 93.447 1.00 0.00 C ATOM 746 O GLU A 49 9.458 -16.558 92.630 1.00 0.00 O ATOM 747 CB GLU A 49 8.941 -16.319 95.840 1.00 0.00 C ATOM 748 CG GLU A 49 9.074 -15.600 97.177 1.00 0.00 C ATOM 749 CD GLU A 49 8.351 -16.400 98.263 1.00 0.00 C ATOM 750 OE1 GLU A 49 8.540 -17.605 98.310 1.00 0.00 O ATOM 751 OE2 GLU A 49 7.614 -15.795 99.025 1.00 0.00 O ATOM 0 H GLU A 49 9.343 -13.788 95.649 1.00 0.00 H new ATOM 0 HA GLU A 49 10.812 -16.227 94.789 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.910 -16.269 95.489 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.187 -17.374 95.956 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.126 -15.484 97.436 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.651 -14.598 97.106 1.00 0.00 H new ATOM 758 N ILE A 50 8.363 -14.736 93.205 1.00 0.00 N ATOM 759 CA ILE A 50 7.641 -14.664 91.913 1.00 0.00 C ATOM 760 C ILE A 50 8.605 -14.419 90.759 1.00 0.00 C ATOM 761 O ILE A 50 8.617 -15.157 89.798 1.00 0.00 O ATOM 762 CB ILE A 50 6.626 -13.525 91.989 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.752 -13.718 93.256 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.768 -13.508 90.713 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.257 -13.736 92.912 1.00 0.00 C ATOM 0 H ILE A 50 8.134 -13.991 93.863 1.00 0.00 H new ATOM 0 HA ILE A 50 7.137 -15.613 91.731 1.00 0.00 H new ATOM 0 HB ILE A 50 7.137 -12.565 92.059 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.024 -14.652 93.748 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.954 -12.914 93.964 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.045 -12.694 90.771 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.410 -13.361 89.845 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.239 -14.456 90.617 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.675 -13.873 93.824 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.980 -12.792 92.443 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.052 -14.556 92.224 1.00 0.00 H new ATOM 777 N LEU A 51 9.384 -13.376 90.824 1.00 0.00 N ATOM 778 CA LEU A 51 10.304 -13.086 89.689 1.00 0.00 C ATOM 779 C LEU A 51 11.004 -14.375 89.224 1.00 0.00 C ATOM 780 O LEU A 51 11.003 -14.691 88.052 1.00 0.00 O ATOM 781 CB LEU A 51 11.362 -12.004 90.027 1.00 0.00 C ATOM 782 CG LEU A 51 11.596 -11.788 91.528 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.319 -11.329 92.246 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.137 -13.064 92.159 1.00 0.00 C ATOM 0 H LEU A 51 9.424 -12.719 91.603 1.00 0.00 H new ATOM 0 HA LEU A 51 9.687 -12.688 88.884 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.308 -12.281 89.561 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.052 -11.059 89.581 1.00 0.00 H new ATOM 0 HG LEU A 51 12.332 -10.992 91.641 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.529 -11.188 93.306 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.978 -10.388 91.815 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.543 -12.085 92.127 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.300 -12.902 93.224 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.418 -13.871 92.021 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.080 -13.333 91.684 1.00 0.00 H new ATOM 796 N GLU A 52 11.611 -15.113 90.115 1.00 0.00 N ATOM 797 CA GLU A 52 12.313 -16.366 89.691 1.00 0.00 C ATOM 798 C GLU A 52 11.349 -17.316 88.972 1.00 0.00 C ATOM 799 O GLU A 52 11.716 -17.985 88.029 1.00 0.00 O ATOM 800 CB GLU A 52 12.872 -17.125 90.910 1.00 0.00 C ATOM 801 CG GLU A 52 13.475 -16.179 91.946 1.00 0.00 C ATOM 802 CD GLU A 52 14.053 -17.017 93.089 1.00 0.00 C ATOM 803 OE1 GLU A 52 14.325 -18.186 92.867 1.00 0.00 O ATOM 804 OE2 GLU A 52 14.223 -16.471 94.168 1.00 0.00 O ATOM 0 H GLU A 52 11.653 -14.907 91.113 1.00 0.00 H new ATOM 0 HA GLU A 52 13.121 -16.063 89.026 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.074 -17.707 91.372 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.632 -17.832 90.579 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.255 -15.568 91.492 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.714 -15.496 92.324 1.00 0.00 H new ATOM 811 N PHE A 53 10.143 -17.422 89.456 1.00 0.00 N ATOM 812 CA PHE A 53 9.159 -18.382 88.870 1.00 0.00 C ATOM 813 C PHE A 53 8.944 -18.175 87.370 1.00 0.00 C ATOM 814 O PHE A 53 9.432 -18.932 86.561 1.00 0.00 O ATOM 815 CB PHE A 53 7.821 -18.204 89.578 1.00 0.00 C ATOM 816 CG PHE A 53 6.780 -19.059 88.899 1.00 0.00 C ATOM 817 CD1 PHE A 53 6.939 -20.449 88.851 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.658 -18.461 88.318 1.00 0.00 C ATOM 819 CE1 PHE A 53 5.977 -21.242 88.223 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.696 -19.255 87.689 1.00 0.00 C ATOM 821 CZ PHE A 53 4.855 -20.647 87.642 1.00 0.00 C ATOM 0 H PHE A 53 9.790 -16.878 90.243 1.00 0.00 H new ATOM 0 HA PHE A 53 9.563 -19.385 89.009 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.911 -18.485 90.627 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.520 -17.157 89.554 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.807 -20.908 89.300 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.535 -17.389 88.355 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.100 -22.314 88.186 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.829 -18.796 87.238 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.110 -21.259 87.156 1.00 0.00 H new ATOM 831 N LEU A 54 8.169 -17.204 86.987 1.00 0.00 N ATOM 832 CA LEU A 54 7.901 -17.023 85.535 1.00 0.00 C ATOM 833 C LEU A 54 9.218 -16.897 84.757 1.00 0.00 C ATOM 834 O LEU A 54 9.229 -16.825 83.544 1.00 0.00 O ATOM 835 CB LEU A 54 6.968 -15.818 85.286 1.00 0.00 C ATOM 836 CG LEU A 54 7.566 -14.458 85.724 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.566 -14.609 86.867 1.00 0.00 C ATOM 838 CD2 LEU A 54 8.245 -13.781 84.531 1.00 0.00 C ATOM 0 H LEU A 54 7.713 -16.534 87.607 1.00 0.00 H new ATOM 0 HA LEU A 54 7.382 -17.908 85.167 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.726 -15.772 84.224 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.031 -15.980 85.819 1.00 0.00 H new ATOM 0 HG LEU A 54 6.743 -13.841 86.086 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.958 -13.629 87.139 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.069 -15.053 87.729 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.386 -15.253 86.550 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.664 -12.825 84.845 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.043 -14.421 84.155 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.512 -13.614 83.742 1.00 0.00 H new ATOM 850 N LEU A 55 10.331 -16.913 85.440 1.00 0.00 N ATOM 851 CA LEU A 55 11.646 -16.834 84.739 1.00 0.00 C ATOM 852 C LEU A 55 12.096 -18.261 84.400 1.00 0.00 C ATOM 853 O LEU A 55 12.685 -18.514 83.368 1.00 0.00 O ATOM 854 CB LEU A 55 12.670 -16.160 85.659 1.00 0.00 C ATOM 855 CG LEU A 55 13.818 -15.558 84.837 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.692 -14.710 85.757 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.669 -16.677 84.221 1.00 0.00 C ATOM 0 H LEU A 55 10.387 -16.978 86.456 1.00 0.00 H new ATOM 0 HA LEU A 55 11.560 -16.248 83.824 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.184 -15.378 86.243 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.065 -16.888 86.368 1.00 0.00 H new ATOM 0 HG LEU A 55 13.406 -14.944 84.036 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.511 -14.277 85.183 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.093 -13.911 86.193 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.097 -15.336 86.552 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.481 -16.239 83.640 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.085 -17.297 85.015 1.00 0.00 H new ATOM 0 HD23 LEU A 55 14.047 -17.291 83.570 1.00 0.00 H new ATOM 869 N LEU A 56 11.801 -19.200 85.261 1.00 0.00 N ATOM 870 CA LEU A 56 12.189 -20.617 84.992 1.00 0.00 C ATOM 871 C LEU A 56 11.661 -21.013 83.620 1.00 0.00 C ATOM 872 O LEU A 56 12.376 -21.520 82.779 1.00 0.00 O ATOM 873 CB LEU A 56 11.565 -21.557 86.037 1.00 0.00 C ATOM 874 CG LEU A 56 11.738 -20.994 87.446 1.00 0.00 C ATOM 875 CD1 LEU A 56 11.150 -21.982 88.455 1.00 0.00 C ATOM 876 CD2 LEU A 56 13.225 -20.794 87.741 1.00 0.00 C ATOM 0 H LEU A 56 11.307 -19.047 86.140 1.00 0.00 H new ATOM 0 HA LEU A 56 13.275 -20.700 85.037 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.505 -21.693 85.823 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.032 -22.540 85.973 1.00 0.00 H new ATOM 0 HG LEU A 56 11.223 -20.036 87.522 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.270 -21.587 89.464 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.090 -22.128 88.246 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.670 -22.936 88.375 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.346 -20.392 88.747 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.742 -21.751 87.668 1.00 0.00 H new ATOM 0 HD23 LEU A 56 13.649 -20.096 87.019 1.00 0.00 H new ATOM 888 N LYS A 57 10.405 -20.774 83.395 1.00 0.00 N ATOM 889 CA LYS A 57 9.809 -21.121 82.081 1.00 0.00 C ATOM 890 C LYS A 57 10.500 -20.274 81.014 1.00 0.00 C ATOM 891 O LYS A 57 11.645 -20.504 80.678 1.00 0.00 O ATOM 892 CB LYS A 57 8.304 -20.820 82.104 1.00 0.00 C ATOM 893 CG LYS A 57 7.544 -22.006 82.712 1.00 0.00 C ATOM 894 CD LYS A 57 7.912 -22.152 84.191 1.00 0.00 C ATOM 895 CE LYS A 57 6.948 -23.131 84.867 1.00 0.00 C ATOM 896 NZ LYS A 57 5.609 -22.492 85.017 1.00 0.00 N ATOM 0 H LYS A 57 9.763 -20.352 84.066 1.00 0.00 H new ATOM 0 HA LYS A 57 9.945 -22.180 81.864 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.113 -19.918 82.686 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.947 -20.628 81.092 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.470 -21.854 82.608 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.790 -22.922 82.174 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.937 -22.510 84.287 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.866 -21.181 84.685 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.863 -24.041 84.274 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.335 -23.422 85.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.868 -23.170 84.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.471 -22.204 86.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.553 -21.655 84.402 1.00 0.00 H new ATOM 910 N GLY A 58 9.834 -19.280 80.498 1.00 0.00 N ATOM 911 CA GLY A 58 10.479 -18.411 79.482 1.00 0.00 C ATOM 912 C GLY A 58 11.520 -17.547 80.192 1.00 0.00 C ATOM 913 O GLY A 58 12.275 -18.035 81.008 1.00 0.00 O ATOM 0 H GLY A 58 8.873 -19.034 80.736 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.950 -19.016 78.707 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.736 -17.784 78.989 1.00 0.00 H new ATOM 917 N ALA A 59 11.558 -16.270 79.914 1.00 0.00 N ATOM 918 CA ALA A 59 12.550 -15.393 80.602 1.00 0.00 C ATOM 919 C ALA A 59 12.444 -13.955 80.081 1.00 0.00 C ATOM 920 O ALA A 59 13.241 -13.508 79.280 1.00 0.00 O ATOM 921 CB ALA A 59 13.969 -15.926 80.366 1.00 0.00 C ATOM 0 H ALA A 59 10.949 -15.799 79.245 1.00 0.00 H new ATOM 0 HA ALA A 59 12.336 -15.396 81.671 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.688 -15.281 80.871 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.048 -16.938 80.762 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.180 -15.938 79.297 1.00 0.00 H new ATOM 927 N ASP A 60 11.479 -13.218 80.560 1.00 0.00 N ATOM 928 CA ASP A 60 11.336 -11.799 80.131 1.00 0.00 C ATOM 929 C ASP A 60 12.471 -11.012 80.785 1.00 0.00 C ATOM 930 O ASP A 60 12.569 -9.803 80.687 1.00 0.00 O ATOM 931 CB ASP A 60 9.977 -11.262 80.592 1.00 0.00 C ATOM 932 CG ASP A 60 9.935 -9.742 80.433 1.00 0.00 C ATOM 933 OD1 ASP A 60 10.412 -9.061 81.326 1.00 0.00 O ATOM 934 OD2 ASP A 60 9.425 -9.286 79.423 1.00 0.00 O ATOM 0 H ASP A 60 10.782 -13.539 81.232 1.00 0.00 H new ATOM 0 HA ASP A 60 11.387 -11.706 79.046 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.179 -11.719 80.008 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.804 -11.532 81.634 1.00 0.00 H new ATOM 939 N ILE A 61 13.331 -11.726 81.448 1.00 0.00 N ATOM 940 CA ILE A 61 14.497 -11.110 82.133 1.00 0.00 C ATOM 941 C ILE A 61 15.235 -10.197 81.163 1.00 0.00 C ATOM 942 O ILE A 61 15.981 -9.324 81.556 1.00 0.00 O ATOM 943 CB ILE A 61 15.439 -12.239 82.547 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.572 -11.704 83.423 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.042 -12.868 81.286 1.00 0.00 C ATOM 946 CD1 ILE A 61 17.623 -12.804 83.623 1.00 0.00 C ATOM 0 H ILE A 61 13.273 -12.740 81.546 1.00 0.00 H new ATOM 0 HA ILE A 61 14.167 -10.532 82.996 1.00 0.00 H new ATOM 0 HB ILE A 61 14.875 -12.979 83.115 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.027 -10.831 82.955 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.180 -11.381 84.387 1.00 0.00 H new ATOM 0 HG21 ILE A 61 16.717 -13.676 81.569 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.243 -13.265 80.660 1.00 0.00 H new ATOM 0 HG23 ILE A 61 16.596 -12.111 80.731 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.432 -12.425 84.247 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.162 -13.664 84.109 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.023 -13.106 82.655 1.00 0.00 H new ATOM 958 N ASN A 62 15.055 -10.424 79.893 1.00 0.00 N ATOM 959 CA ASN A 62 15.777 -9.606 78.878 1.00 0.00 C ATOM 960 C ASN A 62 14.833 -9.140 77.763 1.00 0.00 C ATOM 961 O ASN A 62 14.984 -8.064 77.227 1.00 0.00 O ATOM 962 CB ASN A 62 16.903 -10.457 78.283 1.00 0.00 C ATOM 963 CG ASN A 62 16.385 -11.865 77.964 1.00 0.00 C ATOM 964 OD1 ASN A 62 15.133 -12.155 78.185 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 17.131 -12.710 77.513 1.00 0.00 N flip ATOM 0 H ASN A 62 14.438 -11.142 79.512 1.00 0.00 H new ATOM 0 HA ASN A 62 16.182 -8.717 79.361 1.00 0.00 H new ATOM 0 HB2 ASN A 62 17.285 -9.987 77.377 1.00 0.00 H new ATOM 0 HB3 ASN A 62 17.734 -10.517 78.985 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.111 -12.485 77.339 1.00 0.00 H new ATOM 0 HD22 ASN A 62 16.778 -13.645 77.308 1.00 0.00 H new ATOM 972 N ALA A 63 13.870 -9.950 77.422 1.00 0.00 N ATOM 973 CA ALA A 63 12.872 -9.613 76.341 1.00 0.00 C ATOM 974 C ALA A 63 12.715 -8.101 76.074 1.00 0.00 C ATOM 975 O ALA A 63 12.860 -7.686 74.942 1.00 0.00 O ATOM 976 CB ALA A 63 11.516 -10.201 76.712 1.00 0.00 C ATOM 0 H ALA A 63 13.721 -10.861 77.855 1.00 0.00 H new ATOM 0 HA ALA A 63 13.259 -10.047 75.419 1.00 0.00 H new ATOM 0 HB1 ALA A 63 10.790 -9.961 75.935 1.00 0.00 H new ATOM 0 HB2 ALA A 63 11.602 -11.284 76.806 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.184 -9.780 77.661 1.00 0.00 H new ATOM 982 N PRO A 64 12.423 -7.318 77.091 1.00 0.00 N ATOM 983 CA PRO A 64 12.238 -5.864 76.969 1.00 0.00 C ATOM 984 C PRO A 64 12.845 -5.269 75.694 1.00 0.00 C ATOM 985 O PRO A 64 13.976 -5.526 75.328 1.00 0.00 O ATOM 986 CB PRO A 64 12.890 -5.354 78.251 1.00 0.00 C ATOM 987 CG PRO A 64 12.771 -6.527 79.277 1.00 0.00 C ATOM 988 CD PRO A 64 12.286 -7.762 78.486 1.00 0.00 C ATOM 0 HA PRO A 64 11.193 -5.571 76.869 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.933 -5.086 78.081 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.387 -4.459 78.618 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.732 -6.725 79.752 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.068 -6.276 80.072 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.895 -8.642 78.694 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.256 -8.022 78.730 1.00 0.00 H new ATOM 996 N ASP A 65 12.049 -4.472 75.025 1.00 0.00 N ATOM 997 CA ASP A 65 12.466 -3.809 73.760 1.00 0.00 C ATOM 998 C ASP A 65 11.968 -2.361 73.789 1.00 0.00 C ATOM 999 O ASP A 65 12.684 -1.433 73.472 1.00 0.00 O ATOM 1000 CB ASP A 65 11.814 -4.540 72.584 1.00 0.00 C ATOM 1001 CG ASP A 65 12.517 -5.879 72.353 1.00 0.00 C ATOM 1002 OD1 ASP A 65 13.732 -5.879 72.252 1.00 0.00 O ATOM 1003 OD2 ASP A 65 11.825 -6.882 72.282 1.00 0.00 O ATOM 0 H ASP A 65 11.097 -4.250 75.317 1.00 0.00 H new ATOM 0 HA ASP A 65 13.551 -3.832 73.654 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.756 -4.705 72.788 1.00 0.00 H new ATOM 0 HB3 ASP A 65 11.874 -3.927 71.685 1.00 0.00 H new ATOM 1008 N LYS A 66 10.732 -2.171 74.180 1.00 0.00 N ATOM 1009 CA LYS A 66 10.156 -0.806 74.253 1.00 0.00 C ATOM 1010 C LYS A 66 10.432 -0.210 75.636 1.00 0.00 C ATOM 1011 O LYS A 66 10.441 0.991 75.822 1.00 0.00 O ATOM 1012 CB LYS A 66 8.656 -0.908 74.027 1.00 0.00 C ATOM 1013 CG LYS A 66 8.091 0.479 73.771 1.00 0.00 C ATOM 1014 CD LYS A 66 8.234 0.839 72.290 1.00 0.00 C ATOM 1015 CE LYS A 66 7.692 2.248 72.055 1.00 0.00 C ATOM 1016 NZ LYS A 66 8.667 3.249 72.576 1.00 0.00 N ATOM 0 H LYS A 66 10.094 -2.919 74.454 1.00 0.00 H new ATOM 0 HA LYS A 66 10.605 -0.164 73.495 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.448 -1.560 73.179 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.175 -1.354 74.897 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.041 0.512 74.062 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.615 1.213 74.384 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.281 0.786 71.991 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.690 0.121 71.676 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.521 2.411 70.991 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.730 2.367 72.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.394 4.200 72.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.670 3.223 73.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.618 3.024 72.222 1.00 0.00 H new ATOM 1030 N HIS A 67 10.661 -1.052 76.602 1.00 0.00 N ATOM 1031 CA HIS A 67 10.941 -0.577 77.981 1.00 0.00 C ATOM 1032 C HIS A 67 12.399 -0.141 78.072 1.00 0.00 C ATOM 1033 O HIS A 67 12.845 0.360 79.085 1.00 0.00 O ATOM 1034 CB HIS A 67 10.677 -1.728 78.950 1.00 0.00 C ATOM 1035 CG HIS A 67 9.491 -2.513 78.467 1.00 0.00 C ATOM 1036 ND1 HIS A 67 9.621 -3.600 77.618 1.00 0.00 N ATOM 1037 CD2 HIS A 67 8.146 -2.373 78.698 1.00 0.00 C ATOM 1038 CE1 HIS A 67 8.385 -4.068 77.369 1.00 0.00 C ATOM 1039 NE2 HIS A 67 7.448 -3.358 78.003 1.00 0.00 N ATOM 0 H HIS A 67 10.666 -2.066 76.491 1.00 0.00 H new ATOM 0 HA HIS A 67 10.302 0.269 78.233 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.553 -2.373 79.016 1.00 0.00 H new ATOM 0 HB3 HIS A 67 10.490 -1.341 79.952 1.00 0.00 H new ATOM 0 HD2 HIS A 67 7.697 -1.615 79.323 1.00 0.00 H new ATOM 0 HE1 HIS A 67 8.175 -4.916 76.733 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.439 -3.505 77.983 1.00 0.00 H new ATOM 1047 N HIS A 68 13.138 -0.313 77.012 1.00 0.00 N ATOM 1048 CA HIS A 68 14.565 0.103 77.021 1.00 0.00 C ATOM 1049 C HIS A 68 15.222 -0.326 78.331 1.00 0.00 C ATOM 1050 O HIS A 68 16.189 0.267 78.768 1.00 0.00 O ATOM 1051 CB HIS A 68 14.634 1.627 76.894 1.00 0.00 C ATOM 1052 CG HIS A 68 16.067 2.075 76.807 1.00 0.00 C ATOM 1053 ND1 HIS A 68 17.109 1.193 76.562 1.00 0.00 N ATOM 1054 CD2 HIS A 68 16.645 3.314 76.925 1.00 0.00 C ATOM 1055 CE1 HIS A 68 18.249 1.910 76.540 1.00 0.00 C ATOM 1056 NE2 HIS A 68 18.022 3.208 76.755 1.00 0.00 N ATOM 0 H HIS A 68 12.813 -0.725 76.138 1.00 0.00 H new ATOM 0 HA HIS A 68 15.089 -0.367 76.189 1.00 0.00 H new ATOM 0 HB2 HIS A 68 14.089 1.951 76.007 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.151 2.093 77.753 1.00 0.00 H new ATOM 0 HD2 HIS A 68 16.112 4.233 77.120 1.00 0.00 H new ATOM 0 HE1 HIS A 68 19.228 1.486 76.369 1.00 0.00 H new ATOM 0 HE2 HIS A 68 18.710 3.960 76.788 1.00 0.00 H new ATOM 1064 N ILE A 69 14.714 -1.342 78.975 1.00 0.00 N ATOM 1065 CA ILE A 69 15.347 -1.757 80.249 1.00 0.00 C ATOM 1066 C ILE A 69 14.936 -3.166 80.651 1.00 0.00 C ATOM 1067 O ILE A 69 13.889 -3.674 80.279 1.00 0.00 O ATOM 1068 CB ILE A 69 14.940 -0.768 81.346 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.192 -0.222 82.036 1.00 0.00 C ATOM 1070 CG2 ILE A 69 14.033 -1.459 82.382 1.00 0.00 C ATOM 1071 CD1 ILE A 69 16.975 -1.355 82.706 1.00 0.00 C ATOM 0 H ILE A 69 13.906 -1.889 78.679 1.00 0.00 H new ATOM 0 HA ILE A 69 16.429 -1.757 80.114 1.00 0.00 H new ATOM 0 HB ILE A 69 14.388 0.055 80.892 1.00 0.00 H new ATOM 0 HG12 ILE A 69 16.825 0.283 81.306 1.00 0.00 H new ATOM 0 HG13 ILE A 69 15.908 0.522 82.781 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.752 -0.743 83.155 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.135 -1.831 81.889 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.569 -2.292 82.837 1.00 0.00 H new ATOM 0 HD11 ILE A 69 17.862 -0.947 83.191 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.345 -1.842 83.451 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.276 -2.084 81.953 1.00 0.00 H new ATOM 1083 N THR A 70 15.764 -3.778 81.451 1.00 0.00 N ATOM 1084 CA THR A 70 15.485 -5.140 81.960 1.00 0.00 C ATOM 1085 C THR A 70 15.107 -5.004 83.454 1.00 0.00 C ATOM 1086 O THR A 70 15.429 -4.005 84.070 1.00 0.00 O ATOM 1087 CB THR A 70 16.735 -6.001 81.745 1.00 0.00 C ATOM 1088 OG1 THR A 70 16.781 -7.016 82.723 1.00 0.00 O ATOM 1089 CG2 THR A 70 17.977 -5.109 81.829 1.00 0.00 C ATOM 0 H THR A 70 16.643 -3.377 81.778 1.00 0.00 H new ATOM 0 HA THR A 70 14.660 -5.624 81.437 1.00 0.00 H new ATOM 0 HB THR A 70 16.704 -6.471 80.762 1.00 0.00 H new ATOM 0 HG1 THR A 70 16.650 -7.888 82.296 1.00 0.00 H new ATOM 0 HG21 THR A 70 18.871 -5.714 81.677 1.00 0.00 H new ATOM 0 HG22 THR A 70 17.925 -4.339 81.059 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.021 -4.638 82.811 1.00 0.00 H new ATOM 1097 N PRO A 71 14.378 -5.955 83.982 1.00 0.00 N ATOM 1098 CA PRO A 71 13.886 -5.883 85.376 1.00 0.00 C ATOM 1099 C PRO A 71 14.986 -5.935 86.460 1.00 0.00 C ATOM 1100 O PRO A 71 14.714 -5.617 87.597 1.00 0.00 O ATOM 1101 CB PRO A 71 12.940 -7.095 85.493 1.00 0.00 C ATOM 1102 CG PRO A 71 12.764 -7.654 84.065 1.00 0.00 C ATOM 1103 CD PRO A 71 13.963 -7.170 83.262 1.00 0.00 C ATOM 0 HA PRO A 71 13.408 -4.920 85.558 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.359 -7.851 86.157 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.980 -6.798 85.914 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.719 -8.743 84.077 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.832 -7.302 83.622 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.758 -7.915 83.236 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.695 -6.954 82.228 1.00 0.00 H new ATOM 1111 N LEU A 72 16.206 -6.326 86.177 1.00 0.00 N ATOM 1112 CA LEU A 72 17.194 -6.357 87.298 1.00 0.00 C ATOM 1113 C LEU A 72 17.305 -4.957 87.879 1.00 0.00 C ATOM 1114 O LEU A 72 17.388 -4.788 89.078 1.00 0.00 O ATOM 1115 CB LEU A 72 18.604 -6.843 86.877 1.00 0.00 C ATOM 1116 CG LEU A 72 18.596 -7.668 85.578 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.320 -8.525 85.446 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.733 -6.722 84.383 1.00 0.00 C ATOM 0 H LEU A 72 16.549 -6.613 85.260 1.00 0.00 H new ATOM 0 HA LEU A 72 16.826 -7.076 88.030 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.256 -5.979 86.747 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.029 -7.445 87.680 1.00 0.00 H new ATOM 0 HG LEU A 72 19.440 -8.358 85.604 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.356 -9.091 84.515 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.256 -9.215 86.288 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.444 -7.876 85.442 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.728 -7.300 83.459 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.899 -6.021 84.377 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.670 -6.171 84.461 1.00 0.00 H new ATOM 1130 N LEU A 73 17.298 -3.948 87.048 1.00 0.00 N ATOM 1131 CA LEU A 73 17.400 -2.563 87.585 1.00 0.00 C ATOM 1132 C LEU A 73 16.090 -2.199 88.278 1.00 0.00 C ATOM 1133 O LEU A 73 16.045 -1.372 89.169 1.00 0.00 O ATOM 1134 CB LEU A 73 17.705 -1.575 86.458 1.00 0.00 C ATOM 1135 CG LEU A 73 19.002 -2.006 85.754 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.693 -3.017 84.646 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.695 -0.781 85.144 1.00 0.00 C ATOM 0 H LEU A 73 17.227 -4.023 86.033 1.00 0.00 H new ATOM 0 HA LEU A 73 18.216 -2.512 88.306 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.880 -1.550 85.746 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.811 -0.567 86.859 1.00 0.00 H new ATOM 0 HG LEU A 73 19.660 -2.470 86.489 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.620 -3.314 84.156 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.214 -3.895 85.078 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.025 -2.562 83.914 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.613 -1.093 84.647 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.031 -0.311 84.419 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.934 -0.068 85.933 1.00 0.00 H new ATOM 1149 N SER A 74 15.020 -2.822 87.890 1.00 0.00 N ATOM 1150 CA SER A 74 13.730 -2.519 88.553 1.00 0.00 C ATOM 1151 C SER A 74 13.887 -2.769 90.058 1.00 0.00 C ATOM 1152 O SER A 74 13.494 -1.966 90.885 1.00 0.00 O ATOM 1153 CB SER A 74 12.635 -3.420 87.981 1.00 0.00 C ATOM 1154 OG SER A 74 11.380 -3.036 88.524 1.00 0.00 O ATOM 0 H SER A 74 14.982 -3.522 87.149 1.00 0.00 H new ATOM 0 HA SER A 74 13.451 -1.480 88.379 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.614 -3.341 86.894 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.844 -4.463 88.220 1.00 0.00 H new ATOM 0 HG SER A 74 10.736 -2.903 87.797 1.00 0.00 H new ATOM 1160 N ALA A 75 14.472 -3.880 90.415 1.00 0.00 N ATOM 1161 CA ALA A 75 14.672 -4.192 91.863 1.00 0.00 C ATOM 1162 C ALA A 75 15.767 -3.290 92.443 1.00 0.00 C ATOM 1163 O ALA A 75 15.715 -2.891 93.589 1.00 0.00 O ATOM 1164 CB ALA A 75 15.078 -5.658 92.013 1.00 0.00 C ATOM 0 H ALA A 75 14.821 -4.587 89.768 1.00 0.00 H new ATOM 0 HA ALA A 75 13.742 -4.014 92.404 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.225 -5.889 93.068 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.293 -6.296 91.608 1.00 0.00 H new ATOM 0 HB3 ALA A 75 16.006 -5.836 91.470 1.00 0.00 H new ATOM 1170 N VAL A 76 16.761 -2.979 91.660 1.00 0.00 N ATOM 1171 CA VAL A 76 17.872 -2.118 92.151 1.00 0.00 C ATOM 1172 C VAL A 76 17.308 -0.938 92.960 1.00 0.00 C ATOM 1173 O VAL A 76 17.484 -0.868 94.161 1.00 0.00 O ATOM 1174 CB VAL A 76 18.672 -1.625 90.933 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.553 -0.429 91.300 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.560 -2.774 90.426 1.00 0.00 C ATOM 0 H VAL A 76 16.852 -3.287 90.692 1.00 0.00 H new ATOM 0 HA VAL A 76 18.530 -2.683 92.811 1.00 0.00 H new ATOM 0 HB VAL A 76 17.973 -1.309 90.158 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.107 -0.102 90.420 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.927 0.388 91.659 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.254 -0.720 92.082 1.00 0.00 H new ATOM 0 HG21 VAL A 76 20.133 -2.437 89.562 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.244 -3.082 91.217 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.934 -3.619 90.139 1.00 0.00 H new ATOM 1186 N TYR A 77 16.637 -0.016 92.323 1.00 0.00 N ATOM 1187 CA TYR A 77 16.073 1.144 93.076 1.00 0.00 C ATOM 1188 C TYR A 77 14.858 0.673 93.885 1.00 0.00 C ATOM 1189 O TYR A 77 13.844 1.339 93.937 1.00 0.00 O ATOM 1190 CB TYR A 77 15.635 2.242 92.092 1.00 0.00 C ATOM 1191 CG TYR A 77 16.362 2.081 90.776 1.00 0.00 C ATOM 1192 CD1 TYR A 77 15.821 1.265 89.774 1.00 0.00 C ATOM 1193 CD2 TYR A 77 17.562 2.762 90.547 1.00 0.00 C ATOM 1194 CE1 TYR A 77 16.481 1.132 88.545 1.00 0.00 C ATOM 1195 CE2 TYR A 77 18.221 2.623 89.320 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.681 1.812 88.319 1.00 0.00 C ATOM 1197 OH TYR A 77 18.330 1.686 87.105 1.00 0.00 O ATOM 0 H TYR A 77 16.455 -0.014 91.319 1.00 0.00 H new ATOM 0 HA TYR A 77 16.833 1.546 93.746 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.558 2.188 91.931 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.845 3.225 92.514 1.00 0.00 H new ATOM 0 HD1 TYR A 77 14.895 0.738 89.949 1.00 0.00 H new ATOM 0 HD2 TYR A 77 17.980 3.395 91.316 1.00 0.00 H new ATOM 0 HE1 TYR A 77 16.062 0.504 87.772 1.00 0.00 H new ATOM 0 HE2 TYR A 77 19.151 3.145 89.146 1.00 0.00 H new ATOM 0 HH TYR A 77 18.549 2.576 86.757 1.00 0.00 H new ATOM 1207 N GLU A 78 14.949 -0.472 94.512 1.00 0.00 N ATOM 1208 CA GLU A 78 13.795 -0.989 95.308 1.00 0.00 C ATOM 1209 C GLU A 78 14.248 -1.327 96.725 1.00 0.00 C ATOM 1210 O GLU A 78 13.447 -1.410 97.634 1.00 0.00 O ATOM 1211 CB GLU A 78 13.253 -2.263 94.649 1.00 0.00 C ATOM 1212 CG GLU A 78 11.812 -2.503 95.108 1.00 0.00 C ATOM 1213 CD GLU A 78 10.884 -1.527 94.382 1.00 0.00 C ATOM 1214 OE1 GLU A 78 11.261 -1.061 93.320 1.00 0.00 O ATOM 1215 OE2 GLU A 78 9.814 -1.260 94.903 1.00 0.00 O ATOM 0 H GLU A 78 15.774 -1.072 94.507 1.00 0.00 H new ATOM 0 HA GLU A 78 13.020 -0.224 95.344 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.289 -2.167 93.564 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.877 -3.116 94.915 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.516 -3.531 94.896 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.733 -2.365 96.186 1.00 0.00 H new ATOM 1222 N GLY A 79 15.517 -1.548 96.923 1.00 0.00 N ATOM 1223 CA GLY A 79 15.995 -1.912 98.284 1.00 0.00 C ATOM 1224 C GLY A 79 15.788 -3.413 98.466 1.00 0.00 C ATOM 1225 O GLY A 79 16.200 -3.998 99.450 1.00 0.00 O ATOM 0 H GLY A 79 16.240 -1.493 96.206 1.00 0.00 H new ATOM 0 HA2 GLY A 79 17.048 -1.655 98.400 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.445 -1.356 99.043 1.00 0.00 H new ATOM 1229 N HIS A 80 15.171 -4.041 97.504 1.00 0.00 N ATOM 1230 CA HIS A 80 14.958 -5.507 97.593 1.00 0.00 C ATOM 1231 C HIS A 80 16.269 -6.180 97.233 1.00 0.00 C ATOM 1232 O HIS A 80 16.861 -6.872 98.034 1.00 0.00 O ATOM 1233 CB HIS A 80 13.870 -5.922 96.591 1.00 0.00 C ATOM 1234 CG HIS A 80 12.518 -5.855 97.249 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.674 -6.953 97.331 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.843 -4.821 97.846 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.549 -6.556 97.950 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.601 -5.263 98.289 1.00 0.00 N ATOM 0 H HIS A 80 14.806 -3.599 96.660 1.00 0.00 H new ATOM 0 HA HIS A 80 14.642 -5.796 98.595 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.894 -5.265 95.721 1.00 0.00 H new ATOM 0 HB3 HIS A 80 14.060 -6.933 96.232 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.219 -3.815 97.956 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.706 -7.202 98.149 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.884 -4.719 98.769 1.00 0.00 H new ATOM 1246 N VAL A 81 16.728 -5.961 96.030 1.00 0.00 N ATOM 1247 CA VAL A 81 18.010 -6.557 95.575 1.00 0.00 C ATOM 1248 C VAL A 81 18.190 -7.969 96.134 1.00 0.00 C ATOM 1249 O VAL A 81 19.245 -8.566 96.030 1.00 0.00 O ATOM 1250 CB VAL A 81 19.170 -5.624 95.938 1.00 0.00 C ATOM 1251 CG1 VAL A 81 19.325 -4.580 94.818 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.863 -4.888 97.252 1.00 0.00 C ATOM 0 H VAL A 81 16.257 -5.383 95.334 1.00 0.00 H new ATOM 0 HA VAL A 81 17.996 -6.661 94.490 1.00 0.00 H new ATOM 0 HB VAL A 81 20.083 -6.209 96.055 1.00 0.00 H new ATOM 0 HG11 VAL A 81 20.147 -3.906 95.060 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.535 -5.086 93.876 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.402 -4.007 94.724 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.693 -4.227 97.502 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.953 -4.299 97.135 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.724 -5.615 98.052 1.00 0.00 H new ATOM 1262 N SER A 82 17.135 -8.542 96.636 1.00 0.00 N ATOM 1263 CA SER A 82 17.204 -9.950 97.095 1.00 0.00 C ATOM 1264 C SER A 82 17.005 -10.781 95.833 1.00 0.00 C ATOM 1265 O SER A 82 17.371 -11.937 95.746 1.00 0.00 O ATOM 1266 CB SER A 82 16.091 -10.231 98.114 1.00 0.00 C ATOM 1267 OG SER A 82 16.633 -10.168 99.424 1.00 0.00 O ATOM 0 H SER A 82 16.226 -8.093 96.748 1.00 0.00 H new ATOM 0 HA SER A 82 18.147 -10.181 97.590 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.288 -9.502 98.004 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.656 -11.214 97.934 1.00 0.00 H new ATOM 0 HG SER A 82 15.926 -10.345 100.079 1.00 0.00 H new ATOM 1273 N CYS A 83 16.426 -10.146 94.846 1.00 0.00 N ATOM 1274 CA CYS A 83 16.168 -10.793 93.536 1.00 0.00 C ATOM 1275 C CYS A 83 17.441 -10.714 92.696 1.00 0.00 C ATOM 1276 O CYS A 83 17.973 -11.718 92.272 1.00 0.00 O ATOM 1277 CB CYS A 83 15.029 -10.049 92.828 1.00 0.00 C ATOM 1278 SG CYS A 83 14.826 -8.409 93.572 1.00 0.00 S ATOM 0 H CYS A 83 16.114 -9.176 94.902 1.00 0.00 H new ATOM 0 HA CYS A 83 15.884 -11.836 93.674 1.00 0.00 H new ATOM 0 HB2 CYS A 83 15.248 -9.953 91.765 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.102 -10.616 92.912 1.00 0.00 H new ATOM 0 HG CYS A 83 13.737 -7.860 93.122 1.00 0.00 H new ATOM 1284 N VAL A 84 17.942 -9.521 92.470 1.00 0.00 N ATOM 1285 CA VAL A 84 19.200 -9.370 91.674 1.00 0.00 C ATOM 1286 C VAL A 84 20.143 -10.513 92.029 1.00 0.00 C ATOM 1287 O VAL A 84 20.783 -11.105 91.184 1.00 0.00 O ATOM 1288 CB VAL A 84 19.899 -8.061 92.040 1.00 0.00 C ATOM 1289 CG1 VAL A 84 19.032 -6.868 91.645 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.148 -8.033 93.543 1.00 0.00 C ATOM 0 H VAL A 84 17.533 -8.648 92.803 1.00 0.00 H new ATOM 0 HA VAL A 84 18.951 -9.376 90.613 1.00 0.00 H new ATOM 0 HB VAL A 84 20.846 -7.999 91.504 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.543 -5.943 91.912 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.854 -6.887 90.570 1.00 0.00 H new ATOM 0 HG13 VAL A 84 18.079 -6.921 92.171 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.647 -7.102 93.812 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.197 -8.101 94.071 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.779 -8.876 93.823 1.00 0.00 H new ATOM 1300 N LYS A 85 20.228 -10.812 93.290 1.00 0.00 N ATOM 1301 CA LYS A 85 21.123 -11.897 93.758 1.00 0.00 C ATOM 1302 C LYS A 85 20.898 -13.194 92.951 1.00 0.00 C ATOM 1303 O LYS A 85 21.663 -13.536 92.062 1.00 0.00 O ATOM 1304 CB LYS A 85 20.823 -12.137 95.241 1.00 0.00 C ATOM 1305 CG LYS A 85 21.388 -10.976 96.091 1.00 0.00 C ATOM 1306 CD LYS A 85 22.328 -11.524 97.170 1.00 0.00 C ATOM 1307 CE LYS A 85 23.661 -11.939 96.533 1.00 0.00 C ATOM 1308 NZ LYS A 85 24.624 -12.325 97.603 1.00 0.00 N ATOM 0 H LYS A 85 19.705 -10.341 94.029 1.00 0.00 H new ATOM 0 HA LYS A 85 22.164 -11.606 93.615 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.747 -12.220 95.394 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.264 -13.081 95.561 1.00 0.00 H new ATOM 0 HG2 LYS A 85 21.924 -10.275 95.452 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.571 -10.424 96.555 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.500 -10.767 97.935 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.869 -12.379 97.666 1.00 0.00 H new ATOM 0 HE2 LYS A 85 23.506 -12.774 95.850 1.00 0.00 H new ATOM 0 HE3 LYS A 85 24.066 -11.117 95.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 25.528 -12.606 97.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 24.780 -11.516 98.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 24.237 -13.122 98.147 1.00 0.00 H new ATOM 1322 N LEU A 86 19.862 -13.924 93.261 1.00 0.00 N ATOM 1323 CA LEU A 86 19.599 -15.203 92.526 1.00 0.00 C ATOM 1324 C LEU A 86 19.312 -14.919 91.045 1.00 0.00 C ATOM 1325 O LEU A 86 19.112 -15.817 90.253 1.00 0.00 O ATOM 1326 CB LEU A 86 18.454 -15.975 93.221 1.00 0.00 C ATOM 1327 CG LEU A 86 17.074 -15.686 92.610 1.00 0.00 C ATOM 1328 CD1 LEU A 86 16.832 -14.177 92.474 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.933 -16.372 91.240 1.00 0.00 C ATOM 0 H LEU A 86 19.185 -13.695 93.989 1.00 0.00 H new ATOM 0 HA LEU A 86 20.485 -15.838 92.555 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.655 -17.044 93.159 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.438 -15.714 94.279 1.00 0.00 H new ATOM 0 HG LEU A 86 16.321 -16.092 93.285 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.848 -14.004 92.039 1.00 0.00 H new ATOM 0 HD12 LEU A 86 16.881 -13.711 93.458 1.00 0.00 H new ATOM 0 HD13 LEU A 86 17.595 -13.743 91.828 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.949 -16.155 90.824 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.703 -15.998 90.565 1.00 0.00 H new ATOM 0 HD23 LEU A 86 17.047 -17.449 91.359 1.00 0.00 H new ATOM 1341 N LEU A 87 19.306 -13.675 90.659 1.00 0.00 N ATOM 1342 CA LEU A 87 19.023 -13.337 89.234 1.00 0.00 C ATOM 1343 C LEU A 87 20.216 -13.677 88.336 1.00 0.00 C ATOM 1344 O LEU A 87 20.163 -14.622 87.570 1.00 0.00 O ATOM 1345 CB LEU A 87 18.728 -11.836 89.130 1.00 0.00 C ATOM 1346 CG LEU A 87 17.369 -11.601 88.478 1.00 0.00 C ATOM 1347 CD1 LEU A 87 16.995 -10.121 88.616 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.440 -11.979 87.002 1.00 0.00 C ATOM 0 H LEU A 87 19.485 -12.876 91.267 1.00 0.00 H new ATOM 0 HA LEU A 87 18.166 -13.923 88.902 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.744 -11.387 90.123 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.507 -11.346 88.546 1.00 0.00 H new ATOM 0 HG LEU A 87 16.614 -12.215 88.968 1.00 0.00 H new ATOM 0 HD11 LEU A 87 16.024 -9.946 88.152 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.945 -9.855 89.672 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.749 -9.508 88.122 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.469 -11.811 86.536 1.00 0.00 H new ATOM 0 HD22 LEU A 87 18.192 -11.366 86.505 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.710 -13.031 86.908 1.00 0.00 H new ATOM 1360 N LEU A 88 21.280 -12.909 88.384 1.00 0.00 N ATOM 1361 CA LEU A 88 22.424 -13.214 87.481 1.00 0.00 C ATOM 1362 C LEU A 88 22.773 -14.691 87.586 1.00 0.00 C ATOM 1363 O LEU A 88 23.504 -15.223 86.774 1.00 0.00 O ATOM 1364 CB LEU A 88 23.661 -12.341 87.773 1.00 0.00 C ATOM 1365 CG LEU A 88 24.336 -12.699 89.109 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.288 -12.815 90.209 1.00 0.00 C ATOM 1367 CD2 LEU A 88 25.109 -14.023 88.982 1.00 0.00 C ATOM 0 H LEU A 88 21.401 -12.103 88.997 1.00 0.00 H new ATOM 0 HA LEU A 88 22.114 -12.979 86.463 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.382 -12.456 86.964 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.365 -11.292 87.789 1.00 0.00 H new ATOM 0 HG LEU A 88 25.038 -11.906 89.366 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.775 -13.069 91.150 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.765 -11.864 90.315 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.573 -13.595 89.949 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.580 -14.262 89.935 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.420 -14.822 88.708 1.00 0.00 H new ATOM 0 HD23 LEU A 88 25.875 -13.925 88.213 1.00 0.00 H new ATOM 1379 N SER A 89 22.230 -15.369 88.553 1.00 0.00 N ATOM 1380 CA SER A 89 22.510 -16.823 88.663 1.00 0.00 C ATOM 1381 C SER A 89 22.148 -17.473 87.323 1.00 0.00 C ATOM 1382 O SER A 89 22.633 -18.533 86.979 1.00 0.00 O ATOM 1383 CB SER A 89 21.656 -17.429 89.775 1.00 0.00 C ATOM 1384 OG SER A 89 22.212 -18.676 90.167 1.00 0.00 O ATOM 0 H SER A 89 21.610 -14.984 89.266 1.00 0.00 H new ATOM 0 HA SER A 89 23.561 -16.992 88.898 1.00 0.00 H new ATOM 0 HB2 SER A 89 21.615 -16.752 90.628 1.00 0.00 H new ATOM 0 HB3 SER A 89 20.632 -17.567 89.428 1.00 0.00 H new ATOM 0 HG SER A 89 21.667 -19.067 90.882 1.00 0.00 H new ATOM 1390 N LYS A 90 21.303 -16.824 86.558 1.00 0.00 N ATOM 1391 CA LYS A 90 20.905 -17.370 85.229 1.00 0.00 C ATOM 1392 C LYS A 90 21.616 -16.579 84.134 1.00 0.00 C ATOM 1393 O LYS A 90 21.747 -17.029 83.014 1.00 0.00 O ATOM 1394 CB LYS A 90 19.395 -17.214 85.045 1.00 0.00 C ATOM 1395 CG LYS A 90 18.643 -18.159 85.995 1.00 0.00 C ATOM 1396 CD LYS A 90 18.323 -17.439 87.311 1.00 0.00 C ATOM 1397 CE LYS A 90 17.048 -16.607 87.154 1.00 0.00 C ATOM 1398 NZ LYS A 90 15.865 -17.429 87.541 1.00 0.00 N ATOM 0 H LYS A 90 20.871 -15.933 86.802 1.00 0.00 H new ATOM 0 HA LYS A 90 21.177 -18.424 85.172 1.00 0.00 H new ATOM 0 HB2 LYS A 90 19.102 -16.182 85.240 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.123 -17.433 84.012 1.00 0.00 H new ATOM 0 HG2 LYS A 90 17.721 -18.501 85.525 1.00 0.00 H new ATOM 0 HG3 LYS A 90 19.247 -19.044 86.193 1.00 0.00 H new ATOM 0 HD2 LYS A 90 18.196 -18.167 88.112 1.00 0.00 H new ATOM 0 HD3 LYS A 90 19.155 -16.795 87.595 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.104 -15.715 87.778 1.00 0.00 H new ATOM 0 HE3 LYS A 90 16.947 -16.268 86.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 15.030 -16.815 87.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 15.689 -18.149 86.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.050 -17.897 88.451 1.00 0.00 H new ATOM 1412 N GLY A 91 22.080 -15.401 84.457 1.00 0.00 N ATOM 1413 CA GLY A 91 22.790 -14.566 83.448 1.00 0.00 C ATOM 1414 C GLY A 91 22.337 -13.109 83.560 1.00 0.00 C ATOM 1415 O GLY A 91 22.920 -12.321 84.278 1.00 0.00 O ATOM 0 H GLY A 91 21.996 -14.980 85.382 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.867 -14.633 83.602 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.587 -14.942 82.445 1.00 0.00 H new ATOM 1419 N ALA A 92 21.303 -12.743 82.852 1.00 0.00 N ATOM 1420 CA ALA A 92 20.809 -11.336 82.911 1.00 0.00 C ATOM 1421 C ALA A 92 21.977 -10.361 82.782 1.00 0.00 C ATOM 1422 O ALA A 92 21.816 -9.177 82.994 1.00 0.00 O ATOM 1423 CB ALA A 92 20.113 -11.093 84.256 1.00 0.00 C ATOM 0 H ALA A 92 20.777 -13.360 82.233 1.00 0.00 H new ATOM 0 HA ALA A 92 20.109 -11.177 82.091 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.752 -10.065 84.299 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.271 -11.778 84.359 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.820 -11.263 85.068 1.00 0.00 H new ATOM 1429 N ASP A 93 23.147 -10.832 82.442 1.00 0.00 N ATOM 1430 CA ASP A 93 24.302 -9.899 82.327 1.00 0.00 C ATOM 1431 C ASP A 93 24.223 -8.878 83.462 1.00 0.00 C ATOM 1432 O ASP A 93 24.471 -9.183 84.613 1.00 0.00 O ATOM 1433 CB ASP A 93 24.231 -9.187 80.974 1.00 0.00 C ATOM 1434 CG ASP A 93 25.432 -8.253 80.816 1.00 0.00 C ATOM 1435 OD1 ASP A 93 26.103 -8.008 81.805 1.00 0.00 O ATOM 1436 OD2 ASP A 93 25.659 -7.797 79.707 1.00 0.00 O ATOM 0 H ASP A 93 23.351 -11.811 82.241 1.00 0.00 H new ATOM 0 HA ASP A 93 25.243 -10.445 82.396 1.00 0.00 H new ATOM 0 HB2 ASP A 93 24.220 -9.920 80.167 1.00 0.00 H new ATOM 0 HB3 ASP A 93 23.304 -8.618 80.900 1.00 0.00 H new ATOM 1441 N LYS A 94 23.864 -7.673 83.151 1.00 0.00 N ATOM 1442 CA LYS A 94 23.745 -6.632 84.201 1.00 0.00 C ATOM 1443 C LYS A 94 22.971 -5.464 83.586 1.00 0.00 C ATOM 1444 O LYS A 94 21.853 -5.174 83.964 1.00 0.00 O ATOM 1445 CB LYS A 94 25.149 -6.222 84.655 1.00 0.00 C ATOM 1446 CG LYS A 94 25.089 -4.963 85.513 1.00 0.00 C ATOM 1447 CD LYS A 94 24.189 -5.195 86.742 1.00 0.00 C ATOM 1448 CE LYS A 94 22.783 -4.621 86.486 1.00 0.00 C ATOM 1449 NZ LYS A 94 22.279 -3.966 87.719 1.00 0.00 N ATOM 0 H LYS A 94 23.645 -7.359 82.205 1.00 0.00 H new ATOM 0 HA LYS A 94 23.213 -6.989 85.083 1.00 0.00 H new ATOM 0 HB2 LYS A 94 25.605 -7.034 85.222 1.00 0.00 H new ATOM 0 HB3 LYS A 94 25.782 -6.046 83.785 1.00 0.00 H new ATOM 0 HG2 LYS A 94 26.093 -4.687 85.836 1.00 0.00 H new ATOM 0 HG3 LYS A 94 24.704 -4.131 84.923 1.00 0.00 H new ATOM 0 HD2 LYS A 94 24.121 -6.262 86.956 1.00 0.00 H new ATOM 0 HD3 LYS A 94 24.629 -4.721 87.619 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.817 -3.901 85.668 1.00 0.00 H new ATOM 0 HE3 LYS A 94 22.104 -5.418 86.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 21.269 -3.746 87.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 22.406 -4.606 88.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 22.809 -3.087 87.886 1.00 0.00 H new ATOM 1463 N THR A 95 23.531 -4.840 82.587 1.00 0.00 N ATOM 1464 CA THR A 95 22.805 -3.741 81.883 1.00 0.00 C ATOM 1465 C THR A 95 22.728 -4.140 80.418 1.00 0.00 C ATOM 1466 O THR A 95 23.257 -3.483 79.543 1.00 0.00 O ATOM 1467 CB THR A 95 23.531 -2.395 82.013 1.00 0.00 C ATOM 1468 OG1 THR A 95 23.240 -1.604 80.874 1.00 0.00 O ATOM 1469 CG2 THR A 95 25.039 -2.607 82.113 1.00 0.00 C ATOM 0 H THR A 95 24.463 -5.043 82.225 1.00 0.00 H new ATOM 0 HA THR A 95 21.818 -3.609 82.326 1.00 0.00 H new ATOM 0 HB THR A 95 23.190 -1.892 82.918 1.00 0.00 H new ATOM 0 HG1 THR A 95 23.737 -1.947 80.102 1.00 0.00 H new ATOM 0 HG21 THR A 95 25.537 -1.642 82.205 1.00 0.00 H new ATOM 0 HG22 THR A 95 25.264 -3.216 82.989 1.00 0.00 H new ATOM 0 HG23 THR A 95 25.395 -3.115 81.217 1.00 0.00 H new ATOM 1477 N VAL A 96 22.089 -5.242 80.154 1.00 0.00 N ATOM 1478 CA VAL A 96 21.986 -5.730 78.762 1.00 0.00 C ATOM 1479 C VAL A 96 20.961 -4.870 78.008 1.00 0.00 C ATOM 1480 O VAL A 96 20.647 -5.115 76.862 1.00 0.00 O ATOM 1481 CB VAL A 96 21.573 -7.221 78.804 1.00 0.00 C ATOM 1482 CG1 VAL A 96 20.218 -7.445 78.125 1.00 0.00 C ATOM 1483 CG2 VAL A 96 22.634 -8.072 78.098 1.00 0.00 C ATOM 0 H VAL A 96 21.631 -5.828 80.852 1.00 0.00 H new ATOM 0 HA VAL A 96 22.937 -5.649 78.236 1.00 0.00 H new ATOM 0 HB VAL A 96 21.489 -7.515 79.850 1.00 0.00 H new ATOM 0 HG11 VAL A 96 19.958 -8.502 78.172 1.00 0.00 H new ATOM 0 HG12 VAL A 96 19.454 -6.860 78.637 1.00 0.00 H new ATOM 0 HG13 VAL A 96 20.277 -7.132 77.083 1.00 0.00 H new ATOM 0 HG21 VAL A 96 22.339 -9.121 78.130 1.00 0.00 H new ATOM 0 HG22 VAL A 96 22.725 -7.752 77.060 1.00 0.00 H new ATOM 0 HG23 VAL A 96 23.593 -7.949 78.601 1.00 0.00 H new ATOM 1493 N LYS A 97 20.459 -3.843 78.648 1.00 0.00 N ATOM 1494 CA LYS A 97 19.468 -2.953 77.972 1.00 0.00 C ATOM 1495 C LYS A 97 19.407 -1.565 78.645 1.00 0.00 C ATOM 1496 O LYS A 97 18.776 -0.663 78.133 1.00 0.00 O ATOM 1497 CB LYS A 97 18.080 -3.602 78.016 1.00 0.00 C ATOM 1498 CG LYS A 97 17.250 -3.121 76.816 1.00 0.00 C ATOM 1499 CD LYS A 97 17.558 -3.989 75.591 1.00 0.00 C ATOM 1500 CE LYS A 97 17.066 -3.279 74.328 1.00 0.00 C ATOM 1501 NZ LYS A 97 17.193 -4.194 73.158 1.00 0.00 N ATOM 0 H LYS A 97 20.692 -3.584 79.607 1.00 0.00 H new ATOM 0 HA LYS A 97 19.785 -2.818 76.938 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.174 -4.688 77.995 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.576 -3.344 78.947 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.187 -3.174 77.053 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.477 -2.077 76.600 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.630 -4.174 75.523 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.072 -4.960 75.688 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.027 -2.973 74.452 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.647 -2.373 74.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.858 -3.710 72.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.190 -4.465 73.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.620 -5.047 73.320 1.00 0.00 H new ATOM 1515 N GLY A 98 20.055 -1.370 79.769 1.00 0.00 N ATOM 1516 CA GLY A 98 20.013 -0.026 80.423 1.00 0.00 C ATOM 1517 C GLY A 98 20.863 0.952 79.607 1.00 0.00 C ATOM 1518 O GLY A 98 21.463 0.565 78.624 1.00 0.00 O ATOM 0 H GLY A 98 20.606 -2.076 80.257 1.00 0.00 H new ATOM 0 HA2 GLY A 98 18.985 0.330 80.486 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.390 -0.092 81.444 1.00 0.00 H new ATOM 1522 N PRO A 99 20.911 2.187 80.043 1.00 0.00 N ATOM 1523 CA PRO A 99 21.711 3.219 79.363 1.00 0.00 C ATOM 1524 C PRO A 99 23.095 2.657 79.067 1.00 0.00 C ATOM 1525 O PRO A 99 23.402 2.282 77.953 1.00 0.00 O ATOM 1526 CB PRO A 99 21.764 4.379 80.374 1.00 0.00 C ATOM 1527 CG PRO A 99 20.650 4.114 81.420 1.00 0.00 C ATOM 1528 CD PRO A 99 20.188 2.655 81.242 1.00 0.00 C ATOM 0 HA PRO A 99 21.298 3.546 78.409 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.741 4.429 80.854 1.00 0.00 H new ATOM 0 HB3 PRO A 99 21.606 5.335 79.874 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.025 4.277 82.430 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.816 4.801 81.275 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.433 2.051 82.115 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.108 2.594 81.105 1.00 0.00 H new ATOM 1536 N ASP A 100 23.917 2.575 80.063 1.00 0.00 N ATOM 1537 CA ASP A 100 25.274 2.017 79.868 1.00 0.00 C ATOM 1538 C ASP A 100 25.792 1.547 81.223 1.00 0.00 C ATOM 1539 O ASP A 100 25.204 0.696 81.868 1.00 0.00 O ATOM 1540 CB ASP A 100 26.201 3.097 79.295 1.00 0.00 C ATOM 1541 CG ASP A 100 27.525 2.462 78.867 1.00 0.00 C ATOM 1542 OD1 ASP A 100 27.940 1.513 79.510 1.00 0.00 O ATOM 1543 OD2 ASP A 100 28.102 2.934 77.899 1.00 0.00 O ATOM 0 H ASP A 100 23.706 2.874 81.015 1.00 0.00 H new ATOM 0 HA ASP A 100 25.245 1.182 79.169 1.00 0.00 H new ATOM 0 HB2 ASP A 100 25.727 3.583 78.442 1.00 0.00 H new ATOM 0 HB3 ASP A 100 26.381 3.870 80.042 1.00 0.00 H new ATOM 1548 N GLY A 101 26.874 2.104 81.672 1.00 0.00 N ATOM 1549 CA GLY A 101 27.416 1.697 82.990 1.00 0.00 C ATOM 1550 C GLY A 101 26.411 2.062 84.085 1.00 0.00 C ATOM 1551 O GLY A 101 26.665 1.853 85.264 1.00 0.00 O ATOM 0 H GLY A 101 27.407 2.824 81.184 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.610 0.624 83.001 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.368 2.195 83.174 1.00 0.00 H new ATOM 1555 N LEU A 102 25.257 2.580 83.730 1.00 0.00 N ATOM 1556 CA LEU A 102 24.287 2.919 84.796 1.00 0.00 C ATOM 1557 C LEU A 102 24.080 1.715 85.655 1.00 0.00 C ATOM 1558 O LEU A 102 24.453 1.710 86.807 1.00 0.00 O ATOM 1559 CB LEU A 102 22.925 3.359 84.254 1.00 0.00 C ATOM 1560 CG LEU A 102 22.031 3.759 85.443 1.00 0.00 C ATOM 1561 CD1 LEU A 102 20.863 4.626 84.978 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.472 2.518 86.140 1.00 0.00 C ATOM 0 H LEU A 102 24.959 2.775 82.774 1.00 0.00 H new ATOM 0 HA LEU A 102 24.705 3.756 85.355 1.00 0.00 H new ATOM 0 HB2 LEU A 102 23.043 4.199 83.570 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.463 2.550 83.688 1.00 0.00 H new ATOM 0 HG LEU A 102 22.649 4.325 86.140 1.00 0.00 H new ATOM 0 HD11 LEU A 102 20.246 4.896 85.835 1.00 0.00 H new ATOM 0 HD12 LEU A 102 21.247 5.531 84.508 1.00 0.00 H new ATOM 0 HD13 LEU A 102 20.261 4.071 84.259 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.843 2.823 86.977 1.00 0.00 H new ATOM 0 HD22 LEU A 102 20.878 1.939 85.432 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.295 1.906 86.509 1.00 0.00 H new ATOM 1574 N THR A 103 23.463 0.701 85.119 1.00 0.00 N ATOM 1575 CA THR A 103 23.194 -0.505 85.934 1.00 0.00 C ATOM 1576 C THR A 103 23.182 -0.119 87.416 1.00 0.00 C ATOM 1577 O THR A 103 22.233 0.438 87.945 1.00 0.00 O ATOM 1578 CB THR A 103 24.297 -1.535 85.702 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.388 -2.382 86.835 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.633 -0.825 85.482 1.00 0.00 C ATOM 0 H THR A 103 23.136 0.659 84.154 1.00 0.00 H new ATOM 0 HA THR A 103 22.230 -0.927 85.649 1.00 0.00 H new ATOM 0 HB THR A 103 24.061 -2.128 84.818 1.00 0.00 H new ATOM 0 HG1 THR A 103 25.330 -2.581 87.020 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.416 -1.565 85.317 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.560 -0.174 84.611 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.877 -0.229 86.361 1.00 0.00 H new ATOM 1588 N ALA A 104 24.246 -0.414 88.086 1.00 0.00 N ATOM 1589 CA ALA A 104 24.340 -0.086 89.537 1.00 0.00 C ATOM 1590 C ALA A 104 25.111 1.234 89.753 1.00 0.00 C ATOM 1591 O ALA A 104 24.941 1.897 90.758 1.00 0.00 O ATOM 1592 CB ALA A 104 25.071 -1.228 90.245 1.00 0.00 C ATOM 0 H ALA A 104 25.068 -0.873 87.694 1.00 0.00 H new ATOM 0 HA ALA A 104 23.336 0.037 89.944 1.00 0.00 H new ATOM 0 HB1 ALA A 104 25.149 -1.005 91.309 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.515 -2.156 90.108 1.00 0.00 H new ATOM 0 HB3 ALA A 104 26.070 -1.338 89.823 1.00 0.00 H new ATOM 1598 N LEU A 105 25.987 1.599 88.848 1.00 0.00 N ATOM 1599 CA LEU A 105 26.805 2.839 89.032 1.00 0.00 C ATOM 1600 C LEU A 105 25.948 4.103 89.187 1.00 0.00 C ATOM 1601 O LEU A 105 25.928 4.718 90.236 1.00 0.00 O ATOM 1602 CB LEU A 105 27.711 3.018 87.813 1.00 0.00 C ATOM 1603 CG LEU A 105 28.432 1.710 87.485 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.422 1.957 86.344 1.00 0.00 C ATOM 1605 CD2 LEU A 105 29.192 1.208 88.716 1.00 0.00 C ATOM 0 H LEU A 105 26.171 1.088 87.985 1.00 0.00 H new ATOM 0 HA LEU A 105 27.379 2.713 89.950 1.00 0.00 H new ATOM 0 HB2 LEU A 105 27.118 3.338 86.956 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.441 3.804 88.007 1.00 0.00 H new ATOM 0 HG LEU A 105 27.700 0.959 87.187 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.940 1.028 86.104 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.883 2.309 85.464 1.00 0.00 H new ATOM 0 HD13 LEU A 105 30.149 2.710 86.649 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.703 0.276 88.473 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.925 1.955 89.020 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.490 1.035 89.532 1.00 0.00 H new ATOM 1617 N GLU A 106 25.280 4.529 88.148 1.00 0.00 N ATOM 1618 CA GLU A 106 24.484 5.786 88.241 1.00 0.00 C ATOM 1619 C GLU A 106 23.156 5.498 88.959 1.00 0.00 C ATOM 1620 O GLU A 106 22.317 6.364 89.109 1.00 0.00 O ATOM 1621 CB GLU A 106 24.256 6.333 86.803 1.00 0.00 C ATOM 1622 CG GLU A 106 22.815 6.822 86.588 1.00 0.00 C ATOM 1623 CD GLU A 106 22.628 8.185 87.259 1.00 0.00 C ATOM 1624 OE1 GLU A 106 23.426 9.072 86.995 1.00 0.00 O ATOM 1625 OE2 GLU A 106 21.680 8.326 88.012 1.00 0.00 O ATOM 0 H GLU A 106 25.251 4.062 87.242 1.00 0.00 H new ATOM 0 HA GLU A 106 25.015 6.542 88.820 1.00 0.00 H new ATOM 0 HB2 GLU A 106 24.948 7.154 86.615 1.00 0.00 H new ATOM 0 HB3 GLU A 106 24.484 5.551 86.079 1.00 0.00 H new ATOM 0 HG2 GLU A 106 22.602 6.898 85.522 1.00 0.00 H new ATOM 0 HG3 GLU A 106 22.110 6.102 87.003 1.00 0.00 H new ATOM 1632 N ALA A 107 22.960 4.283 89.410 1.00 0.00 N ATOM 1633 CA ALA A 107 21.686 3.955 90.115 1.00 0.00 C ATOM 1634 C ALA A 107 21.704 4.415 91.580 1.00 0.00 C ATOM 1635 O ALA A 107 20.754 5.009 92.046 1.00 0.00 O ATOM 1636 CB ALA A 107 21.447 2.445 90.095 1.00 0.00 C ATOM 0 H ALA A 107 23.622 3.512 89.321 1.00 0.00 H new ATOM 0 HA ALA A 107 20.890 4.481 89.589 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.515 2.217 90.612 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.383 2.100 89.063 1.00 0.00 H new ATOM 0 HB3 ALA A 107 22.273 1.939 90.596 1.00 0.00 H new ATOM 1642 N THR A 108 22.725 4.104 92.342 1.00 0.00 N ATOM 1643 CA THR A 108 22.683 4.501 93.777 1.00 0.00 C ATOM 1644 C THR A 108 24.073 4.598 94.408 1.00 0.00 C ATOM 1645 O THR A 108 25.065 4.895 93.773 1.00 0.00 O ATOM 1646 CB THR A 108 21.923 3.414 94.521 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.804 3.767 95.892 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.699 2.100 94.390 1.00 0.00 C ATOM 0 H THR A 108 23.562 3.606 92.040 1.00 0.00 H new ATOM 0 HA THR A 108 22.215 5.483 93.843 1.00 0.00 H new ATOM 0 HB THR A 108 20.925 3.300 94.099 1.00 0.00 H new ATOM 0 HG1 THR A 108 21.313 3.066 96.369 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.167 1.309 94.919 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.790 1.835 93.337 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.693 2.220 94.821 1.00 0.00 H new ATOM 1656 N ASP A 109 24.116 4.318 95.690 1.00 0.00 N ATOM 1657 CA ASP A 109 25.387 4.343 96.452 1.00 0.00 C ATOM 1658 C ASP A 109 25.327 3.284 97.558 1.00 0.00 C ATOM 1659 O ASP A 109 26.296 3.062 98.255 1.00 0.00 O ATOM 1660 CB ASP A 109 25.607 5.723 97.078 1.00 0.00 C ATOM 1661 CG ASP A 109 26.977 5.753 97.755 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.910 5.210 97.185 1.00 0.00 O ATOM 1663 OD2 ASP A 109 27.071 6.310 98.836 1.00 0.00 O ATOM 0 H ASP A 109 23.298 4.068 96.245 1.00 0.00 H new ATOM 0 HA ASP A 109 26.214 4.131 95.775 1.00 0.00 H new ATOM 0 HB2 ASP A 109 25.549 6.497 96.312 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.823 5.935 97.805 1.00 0.00 H new ATOM 1668 N ASN A 110 24.211 2.602 97.712 1.00 0.00 N ATOM 1669 CA ASN A 110 24.151 1.543 98.763 1.00 0.00 C ATOM 1670 C ASN A 110 24.934 0.345 98.233 1.00 0.00 C ATOM 1671 O ASN A 110 24.908 0.044 97.057 1.00 0.00 O ATOM 1672 CB ASN A 110 22.700 1.151 99.096 1.00 0.00 C ATOM 1673 CG ASN A 110 22.008 0.564 97.876 1.00 0.00 C ATOM 1674 OD1 ASN A 110 22.592 0.633 96.723 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 20.923 0.029 97.982 1.00 0.00 N flip ATOM 0 H ASN A 110 23.359 2.732 97.166 1.00 0.00 H new ATOM 0 HA ASN A 110 24.585 1.911 99.693 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.692 0.425 99.909 1.00 0.00 H new ATOM 0 HB3 ASN A 110 22.152 2.027 99.445 1.00 0.00 H new ATOM 0 HD21 ASN A 110 20.467 -0.023 98.893 1.00 0.00 H new ATOM 0 HD22 ASN A 110 20.468 -0.368 97.160 1.00 0.00 H new ATOM 1682 N GLN A 111 25.687 -0.290 99.074 1.00 0.00 N ATOM 1683 CA GLN A 111 26.548 -1.416 98.613 1.00 0.00 C ATOM 1684 C GLN A 111 25.754 -2.700 98.274 1.00 0.00 C ATOM 1685 O GLN A 111 26.336 -3.717 97.960 1.00 0.00 O ATOM 1686 CB GLN A 111 27.584 -1.685 99.703 1.00 0.00 C ATOM 1687 CG GLN A 111 28.346 -2.980 99.414 1.00 0.00 C ATOM 1688 CD GLN A 111 29.700 -2.926 100.121 1.00 0.00 C ATOM 1689 OE1 GLN A 111 29.764 -2.974 101.333 1.00 0.00 O ATOM 1690 NE2 GLN A 111 30.790 -2.812 99.414 1.00 0.00 N ATOM 0 H GLN A 111 25.748 -0.080 100.070 1.00 0.00 H new ATOM 0 HA GLN A 111 27.028 -1.125 97.679 1.00 0.00 H new ATOM 0 HB2 GLN A 111 28.283 -0.851 99.762 1.00 0.00 H new ATOM 0 HB3 GLN A 111 27.090 -1.756 100.672 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.773 -3.840 99.762 1.00 0.00 H new ATOM 0 HG3 GLN A 111 28.486 -3.103 98.340 1.00 0.00 H new ATOM 0 HE21 GLN A 111 30.736 -2.772 98.396 1.00 0.00 H new ATOM 0 HE22 GLN A 111 31.697 -2.763 99.879 1.00 0.00 H new ATOM 1699 N ALA A 112 24.446 -2.677 98.296 1.00 0.00 N ATOM 1700 CA ALA A 112 23.689 -3.920 97.935 1.00 0.00 C ATOM 1701 C ALA A 112 23.523 -3.961 96.414 1.00 0.00 C ATOM 1702 O ALA A 112 23.711 -4.972 95.756 1.00 0.00 O ATOM 1703 CB ALA A 112 22.317 -3.902 98.611 1.00 0.00 C ATOM 0 H ALA A 112 23.875 -1.869 98.543 1.00 0.00 H new ATOM 0 HA ALA A 112 24.232 -4.803 98.272 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.769 -4.807 98.347 1.00 0.00 H new ATOM 0 HB2 ALA A 112 22.445 -3.858 99.693 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.758 -3.028 98.276 1.00 0.00 H new ATOM 1709 N ILE A 113 23.219 -2.841 95.859 1.00 0.00 N ATOM 1710 CA ILE A 113 23.075 -2.731 94.385 1.00 0.00 C ATOM 1711 C ILE A 113 24.461 -2.881 93.792 1.00 0.00 C ATOM 1712 O ILE A 113 24.718 -3.703 92.928 1.00 0.00 O ATOM 1713 CB ILE A 113 22.552 -1.327 94.064 1.00 0.00 C ATOM 1714 CG1 ILE A 113 21.026 -1.291 94.157 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.983 -0.908 92.658 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.581 -1.251 95.616 1.00 0.00 C ATOM 0 H ILE A 113 23.059 -1.972 96.369 1.00 0.00 H new ATOM 0 HA ILE A 113 22.395 -3.485 93.988 1.00 0.00 H new ATOM 0 HB ILE A 113 22.972 -0.633 94.792 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.644 -0.417 93.630 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.605 -2.168 93.666 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.604 0.091 92.444 1.00 0.00 H new ATOM 0 HG22 ILE A 113 24.071 -0.904 92.597 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.581 -1.612 91.929 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.492 -1.226 95.664 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.946 -2.139 96.132 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.986 -0.360 96.096 1.00 0.00 H new ATOM 1728 N LYS A 114 25.359 -2.085 94.272 1.00 0.00 N ATOM 1729 CA LYS A 114 26.735 -2.155 93.774 1.00 0.00 C ATOM 1730 C LYS A 114 27.213 -3.595 93.947 1.00 0.00 C ATOM 1731 O LYS A 114 28.225 -4.001 93.404 1.00 0.00 O ATOM 1732 CB LYS A 114 27.614 -1.170 94.560 1.00 0.00 C ATOM 1733 CG LYS A 114 26.906 0.198 94.652 1.00 0.00 C ATOM 1734 CD LYS A 114 26.911 0.883 93.282 1.00 0.00 C ATOM 1735 CE LYS A 114 26.667 2.382 93.449 1.00 0.00 C ATOM 1736 NZ LYS A 114 27.778 2.981 94.236 1.00 0.00 N ATOM 0 H LYS A 114 25.192 -1.384 94.994 1.00 0.00 H new ATOM 0 HA LYS A 114 26.794 -1.878 92.721 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.808 -1.558 95.560 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.581 -1.058 94.069 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.881 0.064 94.997 1.00 0.00 H new ATOM 0 HG3 LYS A 114 27.409 0.829 95.385 1.00 0.00 H new ATOM 0 HD2 LYS A 114 27.866 0.714 92.785 1.00 0.00 H new ATOM 0 HD3 LYS A 114 26.140 0.449 92.646 1.00 0.00 H new ATOM 0 HE2 LYS A 114 26.599 2.861 92.472 1.00 0.00 H new ATOM 0 HE3 LYS A 114 25.716 2.552 93.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 27.828 4.002 94.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 27.607 2.827 95.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 28.677 2.533 93.964 1.00 0.00 H new ATOM 1750 N ALA A 115 26.460 -4.385 94.675 1.00 0.00 N ATOM 1751 CA ALA A 115 26.837 -5.805 94.854 1.00 0.00 C ATOM 1752 C ALA A 115 26.818 -6.454 93.482 1.00 0.00 C ATOM 1753 O ALA A 115 27.693 -7.222 93.137 1.00 0.00 O ATOM 1754 CB ALA A 115 25.845 -6.520 95.774 1.00 0.00 C ATOM 0 H ALA A 115 25.603 -4.099 95.149 1.00 0.00 H new ATOM 0 HA ALA A 115 27.824 -5.875 95.311 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.143 -7.562 95.890 1.00 0.00 H new ATOM 0 HB2 ALA A 115 25.838 -6.033 96.749 1.00 0.00 H new ATOM 0 HB3 ALA A 115 24.847 -6.474 95.338 1.00 0.00 H new ATOM 1760 N LEU A 116 25.841 -6.129 92.675 1.00 0.00 N ATOM 1761 CA LEU A 116 25.819 -6.723 91.310 1.00 0.00 C ATOM 1762 C LEU A 116 26.998 -6.148 90.534 1.00 0.00 C ATOM 1763 O LEU A 116 27.354 -6.629 89.477 1.00 0.00 O ATOM 1764 CB LEU A 116 24.500 -6.376 90.598 1.00 0.00 C ATOM 1765 CG LEU A 116 23.524 -7.569 90.611 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.379 -7.288 89.630 1.00 0.00 C ATOM 1767 CD2 LEU A 116 24.230 -8.867 90.178 1.00 0.00 C ATOM 0 H LEU A 116 25.075 -5.493 92.897 1.00 0.00 H new ATOM 0 HA LEU A 116 25.894 -7.809 91.370 1.00 0.00 H new ATOM 0 HB2 LEU A 116 24.036 -5.519 91.086 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.706 -6.084 89.568 1.00 0.00 H new ATOM 0 HG LEU A 116 23.147 -7.694 91.626 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.683 -8.127 89.633 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.855 -6.381 89.932 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.784 -7.155 88.627 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.518 -9.692 90.196 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.622 -8.748 89.168 1.00 0.00 H new ATOM 0 HD23 LEU A 116 25.051 -9.081 90.863 1.00 0.00 H new ATOM 1779 N LEU A 117 27.638 -5.144 91.079 1.00 0.00 N ATOM 1780 CA LEU A 117 28.833 -4.564 90.390 1.00 0.00 C ATOM 1781 C LEU A 117 30.026 -5.442 90.745 1.00 0.00 C ATOM 1782 O LEU A 117 31.159 -5.150 90.421 1.00 0.00 O ATOM 1783 CB LEU A 117 29.090 -3.118 90.865 1.00 0.00 C ATOM 1784 CG LEU A 117 29.421 -2.199 89.674 1.00 0.00 C ATOM 1785 CD1 LEU A 117 30.695 -2.680 88.971 1.00 0.00 C ATOM 1786 CD2 LEU A 117 28.257 -2.193 88.668 1.00 0.00 C ATOM 0 H LEU A 117 27.388 -4.703 91.964 1.00 0.00 H new ATOM 0 HA LEU A 117 28.670 -4.535 89.313 1.00 0.00 H new ATOM 0 HB2 LEU A 117 28.211 -2.741 91.387 1.00 0.00 H new ATOM 0 HB3 LEU A 117 29.914 -3.106 91.579 1.00 0.00 H new ATOM 0 HG LEU A 117 29.577 -1.189 90.052 1.00 0.00 H new ATOM 0 HD11 LEU A 117 30.918 -2.022 88.131 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.527 -2.664 89.675 1.00 0.00 H new ATOM 0 HD13 LEU A 117 30.548 -3.697 88.606 1.00 0.00 H new ATOM 0 HD21 LEU A 117 28.503 -1.540 87.831 1.00 0.00 H new ATOM 0 HD22 LEU A 117 28.088 -3.205 88.301 1.00 0.00 H new ATOM 0 HD23 LEU A 117 27.354 -1.830 89.159 1.00 0.00 H new ATOM 1798 N GLN A 118 29.757 -6.526 91.414 1.00 0.00 N ATOM 1799 CA GLN A 118 30.839 -7.462 91.818 1.00 0.00 C ATOM 1800 C GLN A 118 31.423 -8.135 90.571 1.00 0.00 C ATOM 1801 O GLN A 118 32.430 -8.812 90.704 1.00 0.00 O ATOM 1802 CB GLN A 118 30.248 -8.546 92.731 1.00 0.00 C ATOM 1803 CG GLN A 118 29.165 -9.322 91.968 1.00 0.00 C ATOM 1804 CD GLN A 118 29.805 -10.463 91.172 1.00 0.00 C ATOM 1805 OE1 GLN A 118 29.580 -10.590 89.985 1.00 0.00 O ATOM 1806 NE2 GLN A 118 30.597 -11.304 91.780 1.00 0.00 N ATOM 1807 OXT GLN A 118 30.855 -7.960 89.506 1.00 0.00 O ATOM 0 H GLN A 118 28.820 -6.807 91.702 1.00 0.00 H new ATOM 0 HA GLN A 118 31.620 -6.912 92.342 1.00 0.00 H new ATOM 0 HB2 GLN A 118 31.033 -9.226 93.062 1.00 0.00 H new ATOM 0 HB3 GLN A 118 29.823 -8.091 93.626 1.00 0.00 H new ATOM 0 HG2 GLN A 118 28.431 -9.722 92.667 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.631 -8.652 91.294 1.00 0.00 H new ATOM 0 HE21 GLN A 118 30.786 -11.197 92.777 1.00 0.00 H new ATOM 0 HE22 GLN A 118 31.027 -12.068 91.258 1.00 0.00 H new