USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=29 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 36:sc= 0.303! USER MOD Set 1.2: A 110 ASN :FLIP amide:sc= -17.2! C(o=-22!,f=-17!) USER MOD Set 2.1: A 94 LYS NZ :NH3+ -129:sc= -0.242 (180deg=-0.677) USER MOD Set 2.2: A 103 THR OG1 : rot -147:sc= -4.01! USER MOD Set 3.1: A 40 HIS : no HD1:sc= -0.652 K(o=0.33,f=-8.2!) USER MOD Set 3.2: A 74 SER OG : rot 148:sc= 0.981 USER MOD Set 4.1: A 37 LYS NZ :NH3+ 159:sc= -1.23! (180deg=-0.808) USER MOD Set 4.2: A 67 HIS : no HD1:sc= 0.0244 K(o=-1.2,f=-12!) USER MOD Single : A 4 LYS NZ :NH3+ 165:sc= -0.0143 (180deg=-0.356) USER MOD Single : A 7 MET CE :methyl 138:sc= -0.431 (180deg=-2.71!) USER MOD Single : A 11 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0394) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.645! F(o=-1.4,f=-0.65!) USER MOD Single : A 19 LYS NZ :NH3+ -165:sc= -0.788 (180deg=-1.19) USER MOD Single : A 21 TYR OH : rot 140:sc= 0.0189 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -1.88! C(o=-4.6!,f=-1.9!) USER MOD Single : A 31 THR OG1 : rot -53:sc= 1.34 USER MOD Single : A 41 TYR OH : rot 180:sc= 0.342 USER MOD Single : A 45 CYS SG : rot -95:sc= 0.0497! USER MOD Single : A 47 GLN :FLIP amide:sc= -4.5! C(o=-9.2!,f=-4.5!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 1.04 (180deg=1.04) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.439 F(o=-9!,f=-0.44) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HE2:sc= -2.48! C(o=-2.5!,f=-5.4!) USER MOD Single : A 70 THR OG1 : rot 110:sc= -5.83! USER MOD Single : A 77 TYR OH : rot 130:sc= -0.551 USER MOD Single : A 80 HIS : no HD1:sc= -0.428 K(o=-0.43,f=-3.9!) USER MOD Single : A 82 SER OG : rot 150:sc= -0.0263 USER MOD Single : A 83 CYS SG : rot 179:sc= -1.54 USER MOD Single : A 85 LYS NZ :NH3+ -151:sc= -0.227 (180deg=-0.878) USER MOD Single : A 89 SER OG : rot -39:sc=4.88e-05 USER MOD Single : A 90 LYS NZ :NH3+ -163:sc= -1.65 (180deg=-1.89) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.00109 USER MOD Single : A 97 LYS NZ :NH3+ -158:sc= -3.35! (180deg=-5.21!) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 114 LYS NZ :NH3+ 168:sc= 1.8 (180deg=1.61) USER MOD Single : A 118 GLN : amide:sc= -0.511 K(o=-0.51,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -7.157 -7.728 87.070 1.00 0.00 N ATOM 44 CA LYS A 4 -6.620 -7.103 88.310 1.00 0.00 C ATOM 45 C LYS A 4 -6.198 -8.193 89.300 1.00 0.00 C ATOM 46 O LYS A 4 -5.029 -8.474 89.469 1.00 0.00 O ATOM 47 CB LYS A 4 -7.704 -6.232 88.949 1.00 0.00 C ATOM 48 CG LYS A 4 -7.830 -4.919 88.175 1.00 0.00 C ATOM 49 CD LYS A 4 -8.781 -3.977 88.918 1.00 0.00 C ATOM 50 CE LYS A 4 -8.705 -2.581 88.298 1.00 0.00 C ATOM 51 NZ LYS A 4 -9.091 -2.655 86.862 1.00 0.00 N ATOM 0 HA LYS A 4 -5.755 -6.490 88.058 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.657 -6.760 88.946 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.455 -6.029 89.991 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.851 -4.453 88.067 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.204 -5.112 87.170 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.802 -4.356 88.863 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.514 -3.932 89.974 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.368 -1.899 88.829 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.695 -2.183 88.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.287 -1.698 86.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.313 -3.076 86.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.943 -3.243 86.761 1.00 0.00 H new ATOM 65 N GLU A 5 -7.146 -8.799 89.959 1.00 0.00 N ATOM 66 CA GLU A 5 -6.813 -9.864 90.948 1.00 0.00 C ATOM 67 C GLU A 5 -5.826 -10.874 90.344 1.00 0.00 C ATOM 68 O GLU A 5 -5.121 -11.559 91.060 1.00 0.00 O ATOM 69 CB GLU A 5 -8.096 -10.597 91.350 1.00 0.00 C ATOM 70 CG GLU A 5 -7.789 -11.570 92.488 1.00 0.00 C ATOM 71 CD GLU A 5 -9.099 -12.063 93.102 1.00 0.00 C ATOM 72 OE1 GLU A 5 -9.791 -11.257 93.702 1.00 0.00 O ATOM 73 OE2 GLU A 5 -9.389 -13.241 92.963 1.00 0.00 O ATOM 0 H GLU A 5 -8.141 -8.602 89.855 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.353 -9.400 91.821 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.854 -9.880 91.664 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.503 -11.137 90.495 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.210 -12.414 92.113 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.181 -11.078 93.247 1.00 0.00 H new ATOM 80 N PHE A 6 -5.780 -10.993 89.044 1.00 0.00 N ATOM 81 CA PHE A 6 -4.850 -11.983 88.426 1.00 0.00 C ATOM 82 C PHE A 6 -3.429 -11.397 88.417 1.00 0.00 C ATOM 83 O PHE A 6 -2.541 -11.898 89.080 1.00 0.00 O ATOM 84 CB PHE A 6 -5.315 -12.281 86.994 1.00 0.00 C ATOM 85 CG PHE A 6 -4.915 -13.688 86.579 1.00 0.00 C ATOM 86 CD1 PHE A 6 -3.773 -14.307 87.113 1.00 0.00 C ATOM 87 CD2 PHE A 6 -5.706 -14.373 85.647 1.00 0.00 C ATOM 88 CE1 PHE A 6 -3.433 -15.608 86.716 1.00 0.00 C ATOM 89 CE2 PHE A 6 -5.364 -15.673 85.254 1.00 0.00 C ATOM 90 CZ PHE A 6 -4.227 -16.289 85.784 1.00 0.00 C ATOM 0 H PHE A 6 -6.342 -10.452 88.387 1.00 0.00 H new ATOM 0 HA PHE A 6 -4.848 -12.911 88.998 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -6.397 -12.171 86.928 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.879 -11.556 86.307 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.158 -13.782 87.828 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.582 -13.897 85.231 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.557 -16.086 87.129 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -5.980 -16.200 84.540 1.00 0.00 H new ATOM 0 HZ PHE A 6 -3.961 -17.289 85.475 1.00 0.00 H new ATOM 100 N MET A 7 -3.196 -10.337 87.685 1.00 0.00 N ATOM 101 CA MET A 7 -1.829 -9.741 87.678 1.00 0.00 C ATOM 102 C MET A 7 -1.478 -9.334 89.115 1.00 0.00 C ATOM 103 O MET A 7 -0.335 -9.373 89.523 1.00 0.00 O ATOM 104 CB MET A 7 -1.786 -8.524 86.732 1.00 0.00 C ATOM 105 CG MET A 7 -1.798 -7.212 87.522 1.00 0.00 C ATOM 106 SD MET A 7 -1.998 -5.825 86.373 1.00 0.00 S ATOM 107 CE MET A 7 -3.660 -6.237 85.781 1.00 0.00 C ATOM 0 H MET A 7 -3.885 -9.865 87.099 1.00 0.00 H new ATOM 0 HA MET A 7 -1.099 -10.465 87.316 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.890 -8.572 86.113 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.641 -8.554 86.057 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.611 -7.218 88.248 1.00 0.00 H new ATOM 0 HG3 MET A 7 -0.870 -7.103 88.084 1.00 0.00 H new ATOM 0 HE1 MET A 7 -4.257 -5.328 85.712 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.591 -6.702 84.797 1.00 0.00 H new ATOM 0 HE3 MET A 7 -4.133 -6.930 86.477 1.00 0.00 H new ATOM 117 N TRP A 8 -2.461 -8.954 89.889 1.00 0.00 N ATOM 118 CA TRP A 8 -2.192 -8.566 91.302 1.00 0.00 C ATOM 119 C TRP A 8 -1.392 -9.687 91.975 1.00 0.00 C ATOM 120 O TRP A 8 -0.873 -9.532 93.063 1.00 0.00 O ATOM 121 CB TRP A 8 -3.523 -8.371 92.029 1.00 0.00 C ATOM 122 CG TRP A 8 -3.274 -7.810 93.390 1.00 0.00 C ATOM 123 CD1 TRP A 8 -2.991 -8.540 94.491 1.00 0.00 C ATOM 124 CD2 TRP A 8 -3.282 -6.416 93.813 1.00 0.00 C ATOM 125 NE1 TRP A 8 -2.825 -7.685 95.563 1.00 0.00 N ATOM 126 CE2 TRP A 8 -2.992 -6.364 95.196 1.00 0.00 C ATOM 127 CE3 TRP A 8 -3.508 -5.202 93.136 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -2.931 -5.153 95.886 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -3.446 -3.981 93.828 1.00 0.00 C ATOM 130 CH2 TRP A 8 -3.157 -3.957 95.200 1.00 0.00 C ATOM 0 H TRP A 8 -3.438 -8.896 89.602 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.623 -7.637 91.339 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.165 -7.699 91.460 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.049 -9.323 92.108 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -2.908 -9.616 94.527 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -2.606 -7.992 96.511 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.730 -5.210 92.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -2.711 -5.140 96.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -3.622 -3.055 93.300 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -3.109 -3.015 95.726 1.00 0.00 H new ATOM 141 N ALA A 9 -1.285 -10.809 91.317 1.00 0.00 N ATOM 142 CA ALA A 9 -0.513 -11.950 91.880 1.00 0.00 C ATOM 143 C ALA A 9 0.975 -11.655 91.715 1.00 0.00 C ATOM 144 O ALA A 9 1.751 -11.760 92.647 1.00 0.00 O ATOM 145 CB ALA A 9 -0.862 -13.233 91.126 1.00 0.00 C ATOM 0 H ALA A 9 -1.704 -10.984 90.404 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.758 -12.080 92.934 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.294 -14.065 91.542 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.928 -13.435 91.226 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.613 -13.115 90.072 1.00 0.00 H new ATOM 151 N LEU A 10 1.371 -11.260 90.535 1.00 0.00 N ATOM 152 CA LEU A 10 2.802 -10.917 90.302 1.00 0.00 C ATOM 153 C LEU A 10 3.258 -10.011 91.441 1.00 0.00 C ATOM 154 O LEU A 10 4.422 -9.948 91.798 1.00 0.00 O ATOM 155 CB LEU A 10 2.936 -10.116 88.991 1.00 0.00 C ATOM 156 CG LEU A 10 2.293 -10.857 87.810 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.518 -9.860 86.939 1.00 0.00 C ATOM 158 CD2 LEU A 10 3.392 -11.499 86.959 1.00 0.00 C ATOM 0 H LEU A 10 0.764 -11.160 89.722 1.00 0.00 H new ATOM 0 HA LEU A 10 3.396 -11.829 90.247 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.465 -9.140 89.110 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.990 -9.937 88.779 1.00 0.00 H new ATOM 0 HG LEU A 10 1.616 -11.622 88.190 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.062 -10.387 86.101 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.740 -9.384 87.535 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.201 -9.099 86.561 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.940 -12.027 86.119 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.061 -10.724 86.584 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.958 -12.204 87.568 1.00 0.00 H new ATOM 170 N LYS A 11 2.323 -9.273 91.966 1.00 0.00 N ATOM 171 CA LYS A 11 2.608 -8.284 93.047 1.00 0.00 C ATOM 172 C LYS A 11 2.476 -8.877 94.455 1.00 0.00 C ATOM 173 O LYS A 11 3.430 -8.942 95.207 1.00 0.00 O ATOM 174 CB LYS A 11 1.590 -7.155 92.893 1.00 0.00 C ATOM 175 CG LYS A 11 1.639 -6.228 94.097 1.00 0.00 C ATOM 176 CD LYS A 11 0.868 -4.956 93.757 1.00 0.00 C ATOM 177 CE LYS A 11 0.576 -4.180 95.036 1.00 0.00 C ATOM 178 NZ LYS A 11 1.846 -3.619 95.572 1.00 0.00 N ATOM 0 H LYS A 11 1.344 -9.314 91.684 1.00 0.00 H new ATOM 0 HA LYS A 11 3.639 -7.945 92.945 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.798 -6.591 91.984 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.588 -7.572 92.788 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.202 -6.715 94.969 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.672 -5.989 94.350 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.448 -4.340 93.070 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.064 -5.208 93.251 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.133 -3.377 94.834 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.114 -4.835 95.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.637 -2.992 96.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.462 -4.395 95.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.328 -3.077 94.827 1.00 0.00 H new ATOM 192 N ASN A 12 1.286 -9.246 94.836 1.00 0.00 N ATOM 193 CA ASN A 12 1.064 -9.762 96.218 1.00 0.00 C ATOM 194 C ASN A 12 1.634 -11.168 96.373 1.00 0.00 C ATOM 195 O ASN A 12 1.204 -11.940 97.205 1.00 0.00 O ATOM 196 CB ASN A 12 -0.433 -9.787 96.496 1.00 0.00 C ATOM 197 CG ASN A 12 -0.674 -10.086 97.976 1.00 0.00 C ATOM 198 OD1 ASN A 12 -0.602 -9.115 98.846 1.00 0.00 O flip ATOM 199 ND2 ASN A 12 -0.927 -11.214 98.346 1.00 0.00 N flip ATOM 0 H ASN A 12 0.453 -9.213 94.248 1.00 0.00 H new ATOM 0 HA ASN A 12 1.572 -9.108 96.927 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.879 -8.828 96.231 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.915 -10.544 95.878 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.983 -11.973 97.667 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.083 -11.403 99.336 1.00 0.00 H new ATOM 206 N GLY A 13 2.627 -11.485 95.606 1.00 0.00 N ATOM 207 CA GLY A 13 3.272 -12.815 95.726 1.00 0.00 C ATOM 208 C GLY A 13 2.264 -13.956 95.564 1.00 0.00 C ATOM 209 O GLY A 13 2.565 -15.086 95.889 1.00 0.00 O ATOM 0 H GLY A 13 3.026 -10.875 94.892 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.052 -12.910 94.970 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.759 -12.896 96.698 1.00 0.00 H new ATOM 213 N ASP A 14 1.086 -13.707 95.055 1.00 0.00 N ATOM 214 CA ASP A 14 0.143 -14.839 94.876 1.00 0.00 C ATOM 215 C ASP A 14 0.700 -15.707 93.763 1.00 0.00 C ATOM 216 O ASP A 14 0.055 -16.014 92.778 1.00 0.00 O ATOM 217 CB ASP A 14 -1.251 -14.350 94.521 1.00 0.00 C ATOM 218 CG ASP A 14 -1.519 -13.018 95.222 1.00 0.00 C ATOM 219 OD1 ASP A 14 -0.967 -12.815 96.292 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.277 -12.229 94.684 1.00 0.00 O ATOM 0 H ASP A 14 0.746 -12.791 94.763 1.00 0.00 H new ATOM 0 HA ASP A 14 0.050 -15.401 95.805 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.342 -14.229 93.441 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.994 -15.088 94.823 1.00 0.00 H new ATOM 225 N LEU A 15 1.920 -16.080 93.949 1.00 0.00 N ATOM 226 CA LEU A 15 2.658 -16.921 92.989 1.00 0.00 C ATOM 227 C LEU A 15 1.770 -18.081 92.528 1.00 0.00 C ATOM 228 O LEU A 15 1.893 -18.574 91.428 1.00 0.00 O ATOM 229 CB LEU A 15 3.906 -17.412 93.740 1.00 0.00 C ATOM 230 CG LEU A 15 4.826 -18.277 92.876 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.298 -19.711 92.818 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.940 -17.698 91.464 1.00 0.00 C ATOM 0 H LEU A 15 2.464 -15.822 94.772 1.00 0.00 H new ATOM 0 HA LEU A 15 2.946 -16.378 92.089 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.465 -16.551 94.105 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.595 -17.984 94.614 1.00 0.00 H new ATOM 0 HG LEU A 15 5.818 -18.284 93.327 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.960 -20.318 92.201 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.260 -20.126 93.825 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.297 -19.713 92.387 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.598 -18.327 90.865 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.953 -17.664 91.004 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.350 -16.690 91.516 1.00 0.00 H new ATOM 244 N ASP A 16 0.866 -18.503 93.356 1.00 0.00 N ATOM 245 CA ASP A 16 -0.046 -19.613 92.982 1.00 0.00 C ATOM 246 C ASP A 16 -0.902 -19.211 91.770 1.00 0.00 C ATOM 247 O ASP A 16 -1.276 -20.037 90.959 1.00 0.00 O ATOM 248 CB ASP A 16 -0.959 -19.902 94.171 1.00 0.00 C ATOM 249 CG ASP A 16 -0.113 -20.283 95.388 1.00 0.00 C ATOM 250 OD1 ASP A 16 0.451 -19.388 95.996 1.00 0.00 O ATOM 251 OD2 ASP A 16 -0.044 -21.463 95.693 1.00 0.00 O ATOM 0 H ASP A 16 0.717 -18.122 94.290 1.00 0.00 H new ATOM 0 HA ASP A 16 0.536 -20.497 92.721 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.566 -19.025 94.398 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.647 -20.711 93.926 1.00 0.00 H new ATOM 256 N GLU A 17 -1.228 -17.950 91.656 1.00 0.00 N ATOM 257 CA GLU A 17 -2.086 -17.487 90.516 1.00 0.00 C ATOM 258 C GLU A 17 -1.274 -17.417 89.213 1.00 0.00 C ATOM 259 O GLU A 17 -1.681 -17.942 88.191 1.00 0.00 O ATOM 260 CB GLU A 17 -2.644 -16.094 90.837 1.00 0.00 C ATOM 261 CG GLU A 17 -4.176 -16.099 90.722 1.00 0.00 C ATOM 262 CD GLU A 17 -4.778 -16.879 91.892 1.00 0.00 C ATOM 263 OE1 GLU A 17 -4.061 -17.112 92.851 1.00 0.00 O ATOM 264 OE2 GLU A 17 -5.946 -17.225 91.813 1.00 0.00 O ATOM 0 H GLU A 17 -0.938 -17.216 92.303 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.900 -18.199 90.382 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.348 -15.798 91.844 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.223 -15.358 90.152 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.554 -15.077 90.721 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.478 -16.551 89.777 1.00 0.00 H new ATOM 271 N VAL A 18 -0.139 -16.775 89.234 1.00 0.00 N ATOM 272 CA VAL A 18 0.681 -16.678 87.987 1.00 0.00 C ATOM 273 C VAL A 18 1.137 -18.091 87.613 1.00 0.00 C ATOM 274 O VAL A 18 1.391 -18.395 86.462 1.00 0.00 O ATOM 275 CB VAL A 18 1.909 -15.796 88.251 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.619 -14.348 87.834 1.00 0.00 C ATOM 277 CG2 VAL A 18 2.237 -15.835 89.745 1.00 0.00 C ATOM 0 H VAL A 18 0.257 -16.315 90.054 1.00 0.00 H new ATOM 0 HA VAL A 18 0.097 -16.239 87.178 1.00 0.00 H new ATOM 0 HB VAL A 18 2.753 -16.170 87.671 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.497 -13.731 88.026 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.379 -14.317 86.771 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.775 -13.966 88.408 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.109 -15.211 89.943 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.386 -15.461 90.314 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.450 -16.861 90.044 1.00 0.00 H new ATOM 287 N LYS A 19 1.223 -18.947 88.590 1.00 0.00 N ATOM 288 CA LYS A 19 1.634 -20.357 88.344 1.00 0.00 C ATOM 289 C LYS A 19 0.624 -21.004 87.392 1.00 0.00 C ATOM 290 O LYS A 19 0.943 -21.899 86.636 1.00 0.00 O ATOM 291 CB LYS A 19 1.646 -21.085 89.694 1.00 0.00 C ATOM 292 CG LYS A 19 2.186 -22.512 89.549 1.00 0.00 C ATOM 293 CD LYS A 19 2.856 -22.935 90.866 1.00 0.00 C ATOM 294 CE LYS A 19 4.325 -22.497 90.867 1.00 0.00 C ATOM 295 NZ LYS A 19 4.916 -22.734 92.217 1.00 0.00 N ATOM 0 H LYS A 19 1.023 -18.726 89.565 1.00 0.00 H new ATOM 0 HA LYS A 19 2.624 -20.410 87.892 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.261 -20.531 90.403 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.636 -21.115 90.103 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.375 -23.197 89.303 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.904 -22.561 88.730 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.333 -22.487 91.711 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.790 -24.016 90.987 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.881 -23.053 90.112 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.401 -21.441 90.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.814 -22.215 92.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.256 -22.401 92.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.091 -23.751 92.346 1.00 0.00 H new ATOM 309 N ASP A 20 -0.591 -20.537 87.424 1.00 0.00 N ATOM 310 CA ASP A 20 -1.643 -21.088 86.529 1.00 0.00 C ATOM 311 C ASP A 20 -1.376 -20.653 85.082 1.00 0.00 C ATOM 312 O ASP A 20 -1.572 -21.411 84.149 1.00 0.00 O ATOM 313 CB ASP A 20 -3.011 -20.561 86.972 1.00 0.00 C ATOM 314 CG ASP A 20 -4.116 -21.401 86.330 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.199 -22.577 86.644 1.00 0.00 O ATOM 316 OD2 ASP A 20 -4.862 -20.854 85.534 1.00 0.00 O ATOM 0 H ASP A 20 -0.904 -19.787 88.041 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.630 -22.176 86.586 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.094 -20.602 88.058 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.120 -19.516 86.683 1.00 0.00 H new ATOM 321 N TYR A 21 -0.947 -19.434 84.885 1.00 0.00 N ATOM 322 CA TYR A 21 -0.687 -18.948 83.494 1.00 0.00 C ATOM 323 C TYR A 21 0.400 -19.802 82.821 1.00 0.00 C ATOM 324 O TYR A 21 0.174 -20.408 81.793 1.00 0.00 O ATOM 325 CB TYR A 21 -0.220 -17.488 83.539 1.00 0.00 C ATOM 326 CG TYR A 21 -1.373 -16.564 83.207 1.00 0.00 C ATOM 327 CD1 TYR A 21 -1.995 -16.634 81.952 1.00 0.00 C ATOM 328 CD2 TYR A 21 -1.814 -15.632 84.152 1.00 0.00 C ATOM 329 CE1 TYR A 21 -3.057 -15.770 81.647 1.00 0.00 C ATOM 330 CE2 TYR A 21 -2.873 -14.767 83.847 1.00 0.00 C ATOM 331 CZ TYR A 21 -3.496 -14.836 82.594 1.00 0.00 C ATOM 332 OH TYR A 21 -4.541 -13.985 82.294 1.00 0.00 O ATOM 0 H TYR A 21 -0.765 -18.754 85.624 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.610 -19.027 82.920 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.171 -17.253 84.529 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.594 -17.336 82.830 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.656 -17.353 81.221 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.337 -15.579 85.119 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.537 -15.825 80.681 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.209 -14.047 84.578 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.116 -13.884 83.081 1.00 0.00 H new ATOM 342 N VAL A 22 1.581 -19.831 83.381 1.00 0.00 N ATOM 343 CA VAL A 22 2.692 -20.620 82.767 1.00 0.00 C ATOM 344 C VAL A 22 2.363 -22.117 82.797 1.00 0.00 C ATOM 345 O VAL A 22 2.913 -22.893 82.039 1.00 0.00 O ATOM 346 CB VAL A 22 3.983 -20.362 83.544 1.00 0.00 C ATOM 347 CG1 VAL A 22 3.817 -20.839 84.986 1.00 0.00 C ATOM 348 CG2 VAL A 22 5.135 -21.123 82.884 1.00 0.00 C ATOM 0 H VAL A 22 1.826 -19.340 84.241 1.00 0.00 H new ATOM 0 HA VAL A 22 2.817 -20.311 81.729 1.00 0.00 H new ATOM 0 HB VAL A 22 4.202 -19.294 83.539 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.738 -20.654 85.539 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.997 -20.297 85.456 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.597 -21.907 84.993 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.056 -20.940 83.437 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.915 -22.191 82.888 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.255 -20.781 81.856 1.00 0.00 H new ATOM 358 N ALA A 23 1.470 -22.535 83.652 1.00 0.00 N ATOM 359 CA ALA A 23 1.123 -23.980 83.698 1.00 0.00 C ATOM 360 C ALA A 23 0.579 -24.386 82.330 1.00 0.00 C ATOM 361 O ALA A 23 0.727 -25.511 81.894 1.00 0.00 O ATOM 362 CB ALA A 23 0.048 -24.221 84.760 1.00 0.00 C ATOM 0 H ALA A 23 0.970 -21.942 84.315 1.00 0.00 H new ATOM 0 HA ALA A 23 2.007 -24.567 83.947 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.203 -25.281 84.790 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.423 -23.909 85.735 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.843 -23.644 84.513 1.00 0.00 H new ATOM 368 N LYS A 24 -0.042 -23.464 81.646 1.00 0.00 N ATOM 369 CA LYS A 24 -0.594 -23.770 80.301 1.00 0.00 C ATOM 370 C LYS A 24 0.530 -24.276 79.397 1.00 0.00 C ATOM 371 O LYS A 24 0.709 -25.464 79.217 1.00 0.00 O ATOM 372 CB LYS A 24 -1.188 -22.490 79.703 1.00 0.00 C ATOM 373 CG LYS A 24 -2.587 -22.241 80.280 1.00 0.00 C ATOM 374 CD LYS A 24 -3.627 -22.971 79.427 1.00 0.00 C ATOM 375 CE LYS A 24 -4.938 -23.103 80.210 1.00 0.00 C ATOM 376 NZ LYS A 24 -6.062 -23.361 79.265 1.00 0.00 N ATOM 0 H LYS A 24 -0.190 -22.507 81.966 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.367 -24.534 80.383 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.539 -21.642 79.922 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.244 -22.578 78.618 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.635 -22.592 81.311 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.800 -21.172 80.297 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.800 -22.424 78.500 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.256 -23.958 79.151 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.862 -23.917 80.931 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.128 -22.191 80.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.950 -23.450 79.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.139 -22.571 78.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.882 -24.242 78.743 1.00 0.00 H new ATOM 390 N GLY A 25 1.291 -23.381 78.826 1.00 0.00 N ATOM 391 CA GLY A 25 2.407 -23.807 77.934 1.00 0.00 C ATOM 392 C GLY A 25 3.450 -22.689 77.811 1.00 0.00 C ATOM 393 O GLY A 25 3.387 -21.860 76.927 1.00 0.00 O ATOM 0 H GLY A 25 1.188 -22.373 78.939 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.875 -24.708 78.331 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.017 -24.059 76.948 1.00 0.00 H new ATOM 397 N GLU A 26 4.408 -22.680 78.695 1.00 0.00 N ATOM 398 CA GLU A 26 5.487 -21.641 78.667 1.00 0.00 C ATOM 399 C GLU A 26 4.944 -20.299 78.165 1.00 0.00 C ATOM 400 O GLU A 26 5.320 -19.822 77.113 1.00 0.00 O ATOM 401 CB GLU A 26 6.653 -22.098 77.782 1.00 0.00 C ATOM 402 CG GLU A 26 6.132 -22.771 76.511 1.00 0.00 C ATOM 403 CD GLU A 26 7.315 -23.118 75.606 1.00 0.00 C ATOM 404 OE1 GLU A 26 7.768 -22.240 74.890 1.00 0.00 O ATOM 405 OE2 GLU A 26 7.752 -24.256 75.646 1.00 0.00 O ATOM 0 H GLU A 26 4.494 -23.359 79.451 1.00 0.00 H new ATOM 0 HA GLU A 26 5.849 -21.508 79.687 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.274 -21.242 77.518 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.286 -22.793 78.335 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.576 -23.673 76.765 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.442 -22.107 75.990 1.00 0.00 H new ATOM 412 N ASP A 27 4.077 -19.680 78.919 1.00 0.00 N ATOM 413 CA ASP A 27 3.523 -18.359 78.503 1.00 0.00 C ATOM 414 C ASP A 27 4.050 -17.283 79.455 1.00 0.00 C ATOM 415 O ASP A 27 3.339 -16.377 79.837 1.00 0.00 O ATOM 416 CB ASP A 27 1.996 -18.403 78.580 1.00 0.00 C ATOM 417 CG ASP A 27 1.478 -19.595 77.775 1.00 0.00 C ATOM 418 OD1 ASP A 27 1.354 -20.663 78.351 1.00 0.00 O ATOM 419 OD2 ASP A 27 1.214 -19.421 76.597 1.00 0.00 O ATOM 0 H ASP A 27 3.727 -20.034 79.809 1.00 0.00 H new ATOM 0 HA ASP A 27 3.827 -18.132 77.481 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.676 -18.486 79.619 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.575 -17.477 78.190 1.00 0.00 H new ATOM 424 N VAL A 28 5.292 -17.385 79.851 1.00 0.00 N ATOM 425 CA VAL A 28 5.862 -16.377 80.790 1.00 0.00 C ATOM 426 C VAL A 28 6.378 -15.172 80.009 1.00 0.00 C ATOM 427 O VAL A 28 7.552 -14.863 80.009 1.00 0.00 O ATOM 428 CB VAL A 28 6.993 -17.013 81.596 1.00 0.00 C ATOM 429 CG1 VAL A 28 6.392 -18.030 82.566 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.970 -17.720 80.651 1.00 0.00 C ATOM 0 H VAL A 28 5.935 -18.123 79.564 1.00 0.00 H new ATOM 0 HA VAL A 28 5.085 -16.039 81.475 1.00 0.00 H new ATOM 0 HB VAL A 28 7.531 -16.243 82.149 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.189 -18.492 83.148 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.697 -17.526 83.238 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.861 -18.798 82.004 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.775 -18.172 81.231 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.443 -18.496 80.096 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.389 -16.996 79.952 1.00 0.00 H new ATOM 440 N ASN A 29 5.492 -14.489 79.351 1.00 0.00 N ATOM 441 CA ASN A 29 5.868 -13.297 78.567 1.00 0.00 C ATOM 442 C ASN A 29 4.578 -12.697 78.020 1.00 0.00 C ATOM 443 O ASN A 29 4.454 -12.408 76.846 1.00 0.00 O ATOM 444 CB ASN A 29 6.792 -13.706 77.420 1.00 0.00 C ATOM 445 CG ASN A 29 6.387 -15.084 76.902 1.00 0.00 C ATOM 446 OD1 ASN A 29 6.766 -16.150 77.549 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 5.717 -15.194 75.893 1.00 0.00 N flip ATOM 0 H ASN A 29 4.498 -14.716 79.326 1.00 0.00 H new ATOM 0 HA ASN A 29 6.397 -12.570 79.183 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.736 -12.973 76.615 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.827 -13.725 77.762 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.419 -14.361 75.385 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.453 -16.119 75.555 1.00 0.00 H new ATOM 454 N ARG A 30 3.602 -12.534 78.876 1.00 0.00 N ATOM 455 CA ARG A 30 2.292 -11.977 78.437 1.00 0.00 C ATOM 456 C ARG A 30 2.152 -10.534 78.921 1.00 0.00 C ATOM 457 O ARG A 30 1.997 -10.277 80.098 1.00 0.00 O ATOM 458 CB ARG A 30 1.158 -12.811 79.041 1.00 0.00 C ATOM 459 CG ARG A 30 1.114 -14.190 78.378 1.00 0.00 C ATOM 460 CD ARG A 30 -0.108 -14.956 78.882 1.00 0.00 C ATOM 461 NE ARG A 30 -0.381 -16.120 77.977 1.00 0.00 N ATOM 462 CZ ARG A 30 -0.623 -15.957 76.703 1.00 0.00 C ATOM 463 NH1 ARG A 30 -0.781 -14.758 76.207 1.00 0.00 N ATOM 464 NH2 ARG A 30 -0.758 -17.001 75.930 1.00 0.00 N ATOM 0 H ARG A 30 3.659 -12.766 79.868 1.00 0.00 H new ATOM 0 HA ARG A 30 2.241 -12.005 77.349 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.307 -12.919 80.115 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.205 -12.300 78.901 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.069 -14.083 77.294 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.024 -14.745 78.606 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.064 -15.306 79.900 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.975 -14.296 78.914 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.378 -17.063 78.366 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.716 -13.942 76.815 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.970 -14.639 75.212 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.675 -17.939 76.321 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.947 -16.878 74.935 1.00 0.00 H new ATOM 478 N THR A 31 2.183 -9.593 78.024 1.00 0.00 N ATOM 479 CA THR A 31 2.026 -8.175 78.441 1.00 0.00 C ATOM 480 C THR A 31 0.695 -8.032 79.177 1.00 0.00 C ATOM 481 O THR A 31 -0.341 -7.835 78.573 1.00 0.00 O ATOM 482 CB THR A 31 2.026 -7.287 77.200 1.00 0.00 C ATOM 483 OG1 THR A 31 3.327 -7.277 76.630 1.00 0.00 O ATOM 484 CG2 THR A 31 1.620 -5.864 77.583 1.00 0.00 C ATOM 0 H THR A 31 2.310 -9.743 77.023 1.00 0.00 H new ATOM 0 HA THR A 31 2.845 -7.877 79.096 1.00 0.00 H new ATOM 0 HB THR A 31 1.313 -7.677 76.474 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.983 -7.033 77.316 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.621 -5.233 76.694 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.621 -5.875 78.018 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.328 -5.467 78.310 1.00 0.00 H new ATOM 492 N LEU A 32 0.707 -8.150 80.476 1.00 0.00 N ATOM 493 CA LEU A 32 -0.573 -8.041 81.234 1.00 0.00 C ATOM 494 C LEU A 32 -1.011 -6.579 81.336 1.00 0.00 C ATOM 495 O LEU A 32 -2.179 -6.290 81.511 1.00 0.00 O ATOM 496 CB LEU A 32 -0.456 -8.702 82.633 1.00 0.00 C ATOM 497 CG LEU A 32 0.579 -8.023 83.560 1.00 0.00 C ATOM 498 CD1 LEU A 32 1.949 -7.924 82.889 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.103 -6.626 83.977 1.00 0.00 C ATOM 0 H LEU A 32 1.539 -8.316 81.042 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.343 -8.584 80.687 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.432 -8.681 83.117 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.185 -9.750 82.508 1.00 0.00 H new ATOM 0 HG LEU A 32 0.676 -8.646 84.449 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.653 -7.442 83.568 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.308 -8.924 82.645 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.865 -7.335 81.975 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.847 -6.168 84.629 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.032 -6.008 83.090 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.844 -6.708 84.510 1.00 0.00 H new ATOM 511 N GLU A 33 -0.105 -5.650 81.197 1.00 0.00 N ATOM 512 CA GLU A 33 -0.507 -4.214 81.257 1.00 0.00 C ATOM 513 C GLU A 33 -0.978 -3.758 79.870 1.00 0.00 C ATOM 514 O GLU A 33 -2.154 -3.766 79.565 1.00 0.00 O ATOM 515 CB GLU A 33 0.673 -3.350 81.698 1.00 0.00 C ATOM 516 CG GLU A 33 0.234 -1.884 81.724 1.00 0.00 C ATOM 517 CD GLU A 33 1.243 -1.057 82.519 1.00 0.00 C ATOM 518 OE1 GLU A 33 1.785 -1.581 83.478 1.00 0.00 O ATOM 519 OE2 GLU A 33 1.455 0.089 82.158 1.00 0.00 O ATOM 0 H GLU A 33 0.889 -5.820 81.046 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.316 -4.105 81.979 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.017 -3.658 82.686 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.511 -3.480 81.014 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.156 -1.500 80.707 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.755 -1.799 82.174 1.00 0.00 H new ATOM 526 N GLY A 34 -0.057 -3.361 79.030 1.00 0.00 N ATOM 527 CA GLY A 34 -0.429 -2.902 77.658 1.00 0.00 C ATOM 528 C GLY A 34 0.824 -2.892 76.781 1.00 0.00 C ATOM 529 O GLY A 34 0.755 -2.966 75.571 1.00 0.00 O ATOM 0 H GLY A 34 0.942 -3.335 79.237 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.183 -3.564 77.231 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.867 -1.905 77.700 1.00 0.00 H new ATOM 533 N GLY A 35 1.968 -2.809 77.398 1.00 0.00 N ATOM 534 CA GLY A 35 3.250 -2.800 76.636 1.00 0.00 C ATOM 535 C GLY A 35 4.384 -3.177 77.592 1.00 0.00 C ATOM 536 O GLY A 35 5.506 -2.735 77.448 1.00 0.00 O ATOM 0 H GLY A 35 2.072 -2.746 78.411 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.203 -3.506 75.807 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.429 -1.814 76.206 1.00 0.00 H new ATOM 540 N ARG A 36 4.083 -3.979 78.583 1.00 0.00 N ATOM 541 CA ARG A 36 5.121 -4.379 79.582 1.00 0.00 C ATOM 542 C ARG A 36 5.210 -5.915 79.680 1.00 0.00 C ATOM 543 O ARG A 36 4.733 -6.630 78.820 1.00 0.00 O ATOM 544 CB ARG A 36 4.724 -3.792 80.941 1.00 0.00 C ATOM 545 CG ARG A 36 4.385 -2.302 80.776 1.00 0.00 C ATOM 546 CD ARG A 36 4.499 -1.596 82.127 1.00 0.00 C ATOM 547 NE ARG A 36 3.840 -0.252 82.048 1.00 0.00 N ATOM 548 CZ ARG A 36 4.189 0.628 81.145 1.00 0.00 C ATOM 549 NH1 ARG A 36 5.240 0.428 80.397 1.00 0.00 N ATOM 550 NH2 ARG A 36 3.507 1.736 81.020 1.00 0.00 N ATOM 0 H ARG A 36 3.157 -4.376 78.744 1.00 0.00 H new ATOM 0 HA ARG A 36 6.097 -4.002 79.275 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.865 -4.329 81.344 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.539 -3.914 81.654 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.062 -1.842 80.056 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.376 -2.190 80.380 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.028 -2.198 82.904 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.548 -1.483 82.402 1.00 0.00 H new ATOM 0 HE ARG A 36 3.103 -0.018 82.713 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.796 -0.419 80.514 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.505 1.119 79.695 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.705 1.912 81.625 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.776 2.424 80.317 1.00 0.00 H new ATOM 564 N LYS A 37 5.824 -6.421 80.725 1.00 0.00 N ATOM 565 CA LYS A 37 5.955 -7.907 80.906 1.00 0.00 C ATOM 566 C LYS A 37 5.627 -8.246 82.378 1.00 0.00 C ATOM 567 O LYS A 37 5.571 -7.352 83.197 1.00 0.00 O ATOM 568 CB LYS A 37 7.390 -8.348 80.562 1.00 0.00 C ATOM 569 CG LYS A 37 8.343 -7.141 80.590 1.00 0.00 C ATOM 570 CD LYS A 37 8.508 -6.641 82.029 1.00 0.00 C ATOM 571 CE LYS A 37 9.193 -5.269 82.032 1.00 0.00 C ATOM 572 NZ LYS A 37 10.128 -5.166 80.877 1.00 0.00 N ATOM 0 H LYS A 37 6.245 -5.863 81.468 1.00 0.00 H new ATOM 0 HA LYS A 37 5.267 -8.433 80.244 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.726 -9.102 81.274 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.408 -8.811 79.575 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.313 -7.423 80.180 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.951 -6.342 79.961 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.534 -6.571 82.512 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.099 -7.353 82.605 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.444 -4.479 81.976 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.737 -5.127 82.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.313 -4.164 80.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.023 -5.642 81.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.702 -5.620 80.044 1.00 0.00 H new ATOM 586 N PRO A 38 5.393 -9.511 82.685 1.00 0.00 N ATOM 587 CA PRO A 38 5.047 -9.921 84.073 1.00 0.00 C ATOM 588 C PRO A 38 6.295 -10.075 84.976 1.00 0.00 C ATOM 589 O PRO A 38 6.276 -10.828 85.929 1.00 0.00 O ATOM 590 CB PRO A 38 4.394 -11.299 83.885 1.00 0.00 C ATOM 591 CG PRO A 38 4.803 -11.811 82.477 1.00 0.00 C ATOM 592 CD PRO A 38 5.411 -10.620 81.707 1.00 0.00 C ATOM 0 HA PRO A 38 4.415 -9.178 84.559 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.727 -11.991 84.658 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.310 -11.226 83.968 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.526 -12.623 82.560 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.937 -12.208 81.947 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.425 -10.838 81.371 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.826 -10.378 80.820 1.00 0.00 H new ATOM 600 N LEU A 39 7.368 -9.380 84.690 1.00 0.00 N ATOM 601 CA LEU A 39 8.606 -9.504 85.538 1.00 0.00 C ATOM 602 C LEU A 39 8.839 -8.207 86.334 1.00 0.00 C ATOM 603 O LEU A 39 9.538 -8.196 87.327 1.00 0.00 O ATOM 604 CB LEU A 39 9.809 -9.760 84.608 1.00 0.00 C ATOM 605 CG LEU A 39 11.066 -10.300 85.347 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.721 -11.048 86.641 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.802 -11.266 84.407 1.00 0.00 C ATOM 0 H LEU A 39 7.445 -8.731 83.907 1.00 0.00 H new ATOM 0 HA LEU A 39 8.487 -10.327 86.242 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.516 -10.474 83.838 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.068 -8.831 84.100 1.00 0.00 H new ATOM 0 HG LEU A 39 11.683 -9.443 85.618 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.638 -11.401 87.112 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.199 -10.376 87.322 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.081 -11.899 86.410 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.688 -11.656 84.908 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.141 -12.092 84.143 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.100 -10.737 83.502 1.00 0.00 H new ATOM 619 N HIS A 40 8.271 -7.111 85.901 1.00 0.00 N ATOM 620 CA HIS A 40 8.478 -5.818 86.624 1.00 0.00 C ATOM 621 C HIS A 40 7.737 -5.844 87.963 1.00 0.00 C ATOM 622 O HIS A 40 8.284 -5.503 88.991 1.00 0.00 O ATOM 623 CB HIS A 40 7.928 -4.675 85.769 1.00 0.00 C ATOM 624 CG HIS A 40 8.249 -3.353 86.412 1.00 0.00 C ATOM 625 ND1 HIS A 40 8.926 -3.258 87.617 1.00 0.00 N ATOM 626 CD2 HIS A 40 7.989 -2.062 86.025 1.00 0.00 C ATOM 627 CE1 HIS A 40 9.049 -1.951 87.911 1.00 0.00 C ATOM 628 NE2 HIS A 40 8.495 -1.178 86.974 1.00 0.00 N ATOM 0 H HIS A 40 7.672 -7.054 85.077 1.00 0.00 H new ATOM 0 HA HIS A 40 9.543 -5.672 86.806 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.360 -4.717 84.769 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.849 -4.781 85.655 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.471 -1.776 85.122 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.537 -1.573 88.797 1.00 0.00 H new ATOM 0 HE2 HIS A 40 8.452 -0.159 86.957 1.00 0.00 H new ATOM 636 N TYR A 41 6.502 -6.256 87.959 1.00 0.00 N ATOM 637 CA TYR A 41 5.732 -6.315 89.233 1.00 0.00 C ATOM 638 C TYR A 41 6.322 -7.417 90.101 1.00 0.00 C ATOM 639 O TYR A 41 6.454 -7.284 91.303 1.00 0.00 O ATOM 640 CB TYR A 41 4.276 -6.632 88.920 1.00 0.00 C ATOM 641 CG TYR A 41 3.876 -5.858 87.695 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.185 -6.351 86.421 1.00 0.00 C ATOM 643 CD2 TYR A 41 3.210 -4.637 87.830 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.826 -5.619 85.284 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.849 -3.908 86.694 1.00 0.00 C ATOM 646 CZ TYR A 41 3.157 -4.399 85.420 1.00 0.00 C ATOM 647 OH TYR A 41 2.805 -3.680 84.295 1.00 0.00 O ATOM 0 H TYR A 41 5.991 -6.555 87.129 1.00 0.00 H new ATOM 0 HA TYR A 41 5.787 -5.361 89.757 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.148 -7.701 88.752 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.639 -6.364 89.763 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.700 -7.295 86.316 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.974 -4.257 88.813 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.066 -5.997 84.301 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.332 -2.965 86.799 1.00 0.00 H new ATOM 0 HH TYR A 41 2.346 -2.857 84.563 1.00 0.00 H new ATOM 657 N ALA A 42 6.705 -8.498 89.487 1.00 0.00 N ATOM 658 CA ALA A 42 7.320 -9.608 90.250 1.00 0.00 C ATOM 659 C ALA A 42 8.652 -9.103 90.781 1.00 0.00 C ATOM 660 O ALA A 42 8.879 -9.032 91.965 1.00 0.00 O ATOM 661 CB ALA A 42 7.552 -10.790 89.306 1.00 0.00 C ATOM 0 H ALA A 42 6.617 -8.659 88.484 1.00 0.00 H new ATOM 0 HA ALA A 42 6.679 -9.932 91.070 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.005 -11.613 89.858 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.599 -11.114 88.888 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.218 -10.485 88.498 1.00 0.00 H new ATOM 667 N ALA A 43 9.522 -8.714 89.905 1.00 0.00 N ATOM 668 CA ALA A 43 10.827 -8.177 90.351 1.00 0.00 C ATOM 669 C ALA A 43 10.564 -7.076 91.386 1.00 0.00 C ATOM 670 O ALA A 43 11.010 -7.145 92.513 1.00 0.00 O ATOM 671 CB ALA A 43 11.541 -7.575 89.140 1.00 0.00 C ATOM 0 H ALA A 43 9.386 -8.744 88.895 1.00 0.00 H new ATOM 0 HA ALA A 43 11.442 -8.962 90.790 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.506 -7.173 89.449 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.694 -8.348 88.387 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.933 -6.774 88.720 1.00 0.00 H new ATOM 677 N ASP A 44 9.835 -6.064 90.997 1.00 0.00 N ATOM 678 CA ASP A 44 9.526 -4.930 91.919 1.00 0.00 C ATOM 679 C ASP A 44 8.820 -5.405 93.196 1.00 0.00 C ATOM 680 O ASP A 44 8.971 -4.813 94.247 1.00 0.00 O ATOM 681 CB ASP A 44 8.614 -3.941 91.194 1.00 0.00 C ATOM 682 CG ASP A 44 8.372 -2.721 92.083 1.00 0.00 C ATOM 683 OD1 ASP A 44 7.973 -2.909 93.220 1.00 0.00 O ATOM 684 OD2 ASP A 44 8.591 -1.616 91.610 1.00 0.00 O ATOM 0 H ASP A 44 9.434 -5.973 90.064 1.00 0.00 H new ATOM 0 HA ASP A 44 10.468 -4.463 92.207 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.070 -3.633 90.253 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.665 -4.418 90.948 1.00 0.00 H new ATOM 689 N CYS A 45 8.035 -6.443 93.123 1.00 0.00 N ATOM 690 CA CYS A 45 7.320 -6.908 94.346 1.00 0.00 C ATOM 691 C CYS A 45 6.784 -8.320 94.119 1.00 0.00 C ATOM 692 O CYS A 45 5.592 -8.550 94.088 1.00 0.00 O ATOM 693 CB CYS A 45 6.154 -5.960 94.643 1.00 0.00 C ATOM 694 SG CYS A 45 5.862 -4.885 93.215 1.00 0.00 S ATOM 0 H CYS A 45 7.858 -6.986 92.278 1.00 0.00 H new ATOM 0 HA CYS A 45 8.009 -6.915 95.190 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.255 -6.533 94.868 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.377 -5.358 95.524 1.00 0.00 H new ATOM 0 HG CYS A 45 6.488 -3.758 93.385 1.00 0.00 H new ATOM 700 N GLY A 46 7.664 -9.262 93.952 1.00 0.00 N ATOM 701 CA GLY A 46 7.226 -10.673 93.719 1.00 0.00 C ATOM 702 C GLY A 46 7.648 -11.554 94.898 1.00 0.00 C ATOM 703 O GLY A 46 7.923 -12.726 94.732 1.00 0.00 O ATOM 0 H GLY A 46 8.674 -9.120 93.966 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.144 -10.711 93.595 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.666 -11.051 92.796 1.00 0.00 H new ATOM 707 N GLN A 47 7.743 -11.005 96.082 1.00 0.00 N ATOM 708 CA GLN A 47 8.193 -11.831 97.237 1.00 0.00 C ATOM 709 C GLN A 47 9.514 -12.478 96.823 1.00 0.00 C ATOM 710 O GLN A 47 10.060 -13.336 97.489 1.00 0.00 O ATOM 711 CB GLN A 47 7.141 -12.900 97.562 1.00 0.00 C ATOM 712 CG GLN A 47 6.010 -12.271 98.384 1.00 0.00 C ATOM 713 CD GLN A 47 5.480 -11.025 97.670 1.00 0.00 C ATOM 714 OE1 GLN A 47 5.282 -11.063 96.382 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 5.242 -10.008 98.292 1.00 0.00 N flip ATOM 0 H GLN A 47 7.530 -10.031 96.296 1.00 0.00 H new ATOM 0 HA GLN A 47 8.325 -11.224 98.133 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.742 -13.325 96.641 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.598 -13.718 98.119 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.204 -12.992 98.522 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.374 -12.005 99.376 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.397 -9.978 99.300 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.887 -9.184 97.806 1.00 0.00 H new ATOM 724 N LEU A 48 10.023 -12.024 95.705 1.00 0.00 N ATOM 725 CA LEU A 48 11.312 -12.516 95.141 1.00 0.00 C ATOM 726 C LEU A 48 11.222 -13.989 94.720 1.00 0.00 C ATOM 727 O LEU A 48 12.193 -14.578 94.286 1.00 0.00 O ATOM 728 CB LEU A 48 12.433 -12.321 96.157 1.00 0.00 C ATOM 729 CG LEU A 48 12.831 -10.827 96.299 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.055 -9.914 95.337 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.577 -10.362 97.735 1.00 0.00 C ATOM 0 H LEU A 48 9.576 -11.302 95.140 1.00 0.00 H new ATOM 0 HA LEU A 48 11.531 -11.933 94.246 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.116 -12.706 97.126 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.304 -12.902 95.853 1.00 0.00 H new ATOM 0 HG LEU A 48 13.889 -10.754 96.047 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.373 -8.881 95.479 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.254 -10.216 94.309 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.987 -9.996 95.540 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.857 -9.313 97.833 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.520 -10.479 97.974 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.173 -10.962 98.423 1.00 0.00 H new ATOM 743 N GLU A 49 10.068 -14.570 94.819 1.00 0.00 N ATOM 744 CA GLU A 49 9.885 -15.983 94.389 1.00 0.00 C ATOM 745 C GLU A 49 9.259 -15.987 92.998 1.00 0.00 C ATOM 746 O GLU A 49 9.538 -16.829 92.169 1.00 0.00 O ATOM 747 CB GLU A 49 8.954 -16.695 95.357 1.00 0.00 C ATOM 748 CG GLU A 49 9.248 -16.228 96.777 1.00 0.00 C ATOM 749 CD GLU A 49 8.533 -17.134 97.778 1.00 0.00 C ATOM 750 OE1 GLU A 49 8.252 -18.268 97.426 1.00 0.00 O ATOM 751 OE2 GLU A 49 8.279 -16.679 98.880 1.00 0.00 O ATOM 0 H GLU A 49 9.228 -14.122 95.185 1.00 0.00 H new ATOM 0 HA GLU A 49 10.847 -16.495 94.374 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.915 -16.485 95.101 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.089 -17.774 95.282 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.322 -16.245 96.960 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.919 -15.197 96.906 1.00 0.00 H new ATOM 758 N ILE A 50 8.390 -15.044 92.767 1.00 0.00 N ATOM 759 CA ILE A 50 7.695 -14.952 91.460 1.00 0.00 C ATOM 760 C ILE A 50 8.688 -14.682 90.337 1.00 0.00 C ATOM 761 O ILE A 50 8.564 -15.220 89.255 1.00 0.00 O ATOM 762 CB ILE A 50 6.678 -13.810 91.516 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.762 -14.012 92.746 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.884 -13.777 90.205 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.281 -13.859 92.391 1.00 0.00 C ATOM 0 H ILE A 50 8.130 -14.324 93.441 1.00 0.00 H new ATOM 0 HA ILE A 50 7.194 -15.899 91.261 1.00 0.00 H new ATOM 0 HB ILE A 50 7.179 -12.848 91.625 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.933 -15.003 93.166 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.026 -13.289 93.517 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.158 -12.965 90.240 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.567 -13.618 89.370 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.362 -14.725 90.072 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.675 -14.009 93.285 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.103 -12.859 91.996 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.009 -14.600 91.639 1.00 0.00 H new ATOM 777 N LEU A 51 9.656 -13.840 90.549 1.00 0.00 N ATOM 778 CA LEU A 51 10.601 -13.555 89.445 1.00 0.00 C ATOM 779 C LEU A 51 11.390 -14.823 89.067 1.00 0.00 C ATOM 780 O LEU A 51 11.307 -15.278 87.950 1.00 0.00 O ATOM 781 CB LEU A 51 11.559 -12.376 89.746 1.00 0.00 C ATOM 782 CG LEU A 51 11.725 -12.062 91.244 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.393 -11.639 91.880 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.307 -13.277 91.963 1.00 0.00 C ATOM 0 H LEU A 51 9.831 -13.345 91.424 1.00 0.00 H new ATOM 0 HA LEU A 51 9.997 -13.243 88.593 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.538 -12.601 89.323 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.190 -11.485 89.238 1.00 0.00 H new ATOM 0 HG LEU A 51 12.413 -11.223 91.346 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.547 -11.425 92.938 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.018 -10.746 91.380 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.667 -12.445 91.775 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.423 -13.051 93.023 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.634 -14.127 91.844 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.279 -13.522 91.535 1.00 0.00 H new ATOM 796 N GLU A 52 12.159 -15.410 89.951 1.00 0.00 N ATOM 797 CA GLU A 52 12.907 -16.636 89.526 1.00 0.00 C ATOM 798 C GLU A 52 11.908 -17.702 89.056 1.00 0.00 C ATOM 799 O GLU A 52 12.261 -18.611 88.333 1.00 0.00 O ATOM 800 CB GLU A 52 13.823 -17.226 90.632 1.00 0.00 C ATOM 801 CG GLU A 52 13.353 -16.873 92.046 1.00 0.00 C ATOM 802 CD GLU A 52 12.239 -17.832 92.481 1.00 0.00 C ATOM 803 OE1 GLU A 52 11.406 -18.156 91.653 1.00 0.00 O ATOM 804 OE2 GLU A 52 12.241 -18.225 93.636 1.00 0.00 O ATOM 0 H GLU A 52 12.300 -15.108 90.915 1.00 0.00 H new ATOM 0 HA GLU A 52 13.567 -16.334 88.713 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.859 -18.310 90.527 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.839 -16.858 90.490 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.189 -16.934 92.742 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.991 -15.845 92.072 1.00 0.00 H new ATOM 811 N PHE A 53 10.670 -17.611 89.468 1.00 0.00 N ATOM 812 CA PHE A 53 9.670 -18.631 89.048 1.00 0.00 C ATOM 813 C PHE A 53 9.417 -18.577 87.534 1.00 0.00 C ATOM 814 O PHE A 53 9.979 -19.338 86.774 1.00 0.00 O ATOM 815 CB PHE A 53 8.350 -18.399 89.774 1.00 0.00 C ATOM 816 CG PHE A 53 7.297 -19.296 89.166 1.00 0.00 C ATOM 817 CD1 PHE A 53 7.434 -20.687 89.246 1.00 0.00 C ATOM 818 CD2 PHE A 53 6.195 -18.739 88.507 1.00 0.00 C ATOM 819 CE1 PHE A 53 6.469 -21.520 88.671 1.00 0.00 C ATOM 820 CE2 PHE A 53 5.230 -19.571 87.933 1.00 0.00 C ATOM 821 CZ PHE A 53 5.367 -20.964 88.014 1.00 0.00 C ATOM 0 H PHE A 53 10.311 -16.875 90.076 1.00 0.00 H new ATOM 0 HA PHE A 53 10.073 -19.611 89.303 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.461 -18.614 90.837 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.051 -17.354 89.689 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.286 -21.117 89.752 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.090 -17.666 88.442 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.575 -22.593 88.734 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.378 -19.141 87.427 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.622 -21.607 87.569 1.00 0.00 H new ATOM 831 N LEU A 54 8.537 -17.715 87.095 1.00 0.00 N ATOM 832 CA LEU A 54 8.214 -17.658 85.640 1.00 0.00 C ATOM 833 C LEU A 54 9.476 -17.402 84.802 1.00 0.00 C ATOM 834 O LEU A 54 9.507 -17.689 83.621 1.00 0.00 O ATOM 835 CB LEU A 54 7.164 -16.563 85.374 1.00 0.00 C ATOM 836 CG LEU A 54 7.237 -15.439 86.417 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.645 -14.841 86.446 1.00 0.00 C ATOM 838 CD2 LEU A 54 6.231 -14.344 86.040 1.00 0.00 C ATOM 0 H LEU A 54 8.030 -17.050 87.680 1.00 0.00 H new ATOM 0 HA LEU A 54 7.804 -18.624 85.344 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.318 -16.146 84.379 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.167 -17.005 85.384 1.00 0.00 H new ATOM 0 HG LEU A 54 7.001 -15.844 87.401 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.687 -14.044 87.189 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.365 -15.617 86.705 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.888 -14.435 85.464 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.275 -13.541 86.775 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.476 -13.948 85.055 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.225 -14.764 86.022 1.00 0.00 H new ATOM 850 N LEU A 55 10.505 -16.880 85.396 1.00 0.00 N ATOM 851 CA LEU A 55 11.762 -16.614 84.632 1.00 0.00 C ATOM 852 C LEU A 55 12.468 -17.946 84.322 1.00 0.00 C ATOM 853 O LEU A 55 13.019 -18.126 83.256 1.00 0.00 O ATOM 854 CB LEU A 55 12.667 -15.723 85.492 1.00 0.00 C ATOM 855 CG LEU A 55 13.747 -15.022 84.653 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.547 -14.094 85.573 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.699 -16.054 84.037 1.00 0.00 C ATOM 0 H LEU A 55 10.536 -16.622 86.382 1.00 0.00 H new ATOM 0 HA LEU A 55 11.537 -16.114 83.690 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.061 -14.974 86.002 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.143 -16.327 86.264 1.00 0.00 H new ATOM 0 HG LEU A 55 13.272 -14.458 83.850 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.320 -13.587 84.995 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.879 -13.354 86.014 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.013 -14.680 86.365 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.458 -15.542 83.446 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.181 -16.624 84.831 1.00 0.00 H new ATOM 0 HD23 LEU A 55 14.136 -16.731 83.395 1.00 0.00 H new ATOM 869 N LEU A 56 12.459 -18.879 85.247 1.00 0.00 N ATOM 870 CA LEU A 56 13.143 -20.185 84.991 1.00 0.00 C ATOM 871 C LEU A 56 12.472 -20.891 83.811 1.00 0.00 C ATOM 872 O LEU A 56 13.135 -21.491 82.988 1.00 0.00 O ATOM 873 CB LEU A 56 13.158 -21.071 86.253 1.00 0.00 C ATOM 874 CG LEU A 56 11.810 -21.778 86.466 1.00 0.00 C ATOM 875 CD1 LEU A 56 11.863 -23.191 85.875 1.00 0.00 C ATOM 876 CD2 LEU A 56 11.535 -21.888 87.967 1.00 0.00 C ATOM 0 H LEU A 56 12.011 -18.792 86.159 1.00 0.00 H new ATOM 0 HA LEU A 56 14.185 -19.993 84.734 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.950 -21.815 86.166 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.390 -20.459 87.125 1.00 0.00 H new ATOM 0 HG LEU A 56 11.024 -21.204 85.975 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.904 -23.686 86.030 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.072 -23.131 84.807 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.650 -23.762 86.368 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.580 -22.389 88.126 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.330 -22.463 88.441 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.499 -20.890 88.404 1.00 0.00 H new ATOM 888 N LYS A 57 11.178 -20.789 83.679 1.00 0.00 N ATOM 889 CA LYS A 57 10.526 -21.417 82.497 1.00 0.00 C ATOM 890 C LYS A 57 11.059 -20.661 81.278 1.00 0.00 C ATOM 891 O LYS A 57 12.187 -20.850 80.872 1.00 0.00 O ATOM 892 CB LYS A 57 8.996 -21.274 82.584 1.00 0.00 C ATOM 893 CG LYS A 57 8.366 -22.562 83.142 1.00 0.00 C ATOM 894 CD LYS A 57 8.350 -22.521 84.674 1.00 0.00 C ATOM 895 CE LYS A 57 7.592 -23.740 85.213 1.00 0.00 C ATOM 896 NZ LYS A 57 7.621 -23.731 86.705 1.00 0.00 N ATOM 0 H LYS A 57 10.554 -20.307 84.326 1.00 0.00 H new ATOM 0 HA LYS A 57 10.746 -22.483 82.440 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.739 -20.430 83.224 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.588 -21.061 81.596 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.350 -22.673 82.763 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.930 -23.430 82.800 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.370 -22.515 85.058 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.874 -21.603 85.018 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.561 -23.725 84.860 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.044 -24.657 84.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.106 -24.559 87.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.607 -23.766 87.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.170 -22.862 87.056 1.00 0.00 H new ATOM 910 N GLY A 58 10.291 -19.759 80.729 1.00 0.00 N ATOM 911 CA GLY A 58 10.809 -18.952 79.594 1.00 0.00 C ATOM 912 C GLY A 58 11.868 -18.009 80.174 1.00 0.00 C ATOM 913 O GLY A 58 12.749 -18.438 80.889 1.00 0.00 O ATOM 0 H GLY A 58 9.335 -19.549 81.016 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.241 -19.595 78.827 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.005 -18.388 79.121 1.00 0.00 H new ATOM 917 N ALA A 59 11.785 -16.731 79.921 1.00 0.00 N ATOM 918 CA ALA A 59 12.795 -15.814 80.524 1.00 0.00 C ATOM 919 C ALA A 59 12.607 -14.378 80.029 1.00 0.00 C ATOM 920 O ALA A 59 13.231 -13.947 79.083 1.00 0.00 O ATOM 921 CB ALA A 59 14.211 -16.305 80.195 1.00 0.00 C ATOM 0 H ALA A 59 11.077 -16.288 79.335 1.00 0.00 H new ATOM 0 HA ALA A 59 12.654 -15.818 81.605 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.943 -15.630 80.639 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.351 -17.308 80.598 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.347 -16.327 79.114 1.00 0.00 H new ATOM 927 N ASP A 60 11.774 -13.622 80.697 1.00 0.00 N ATOM 928 CA ASP A 60 11.572 -12.202 80.318 1.00 0.00 C ATOM 929 C ASP A 60 12.741 -11.401 80.904 1.00 0.00 C ATOM 930 O ASP A 60 12.767 -10.184 80.891 1.00 0.00 O ATOM 931 CB ASP A 60 10.244 -11.719 80.903 1.00 0.00 C ATOM 932 CG ASP A 60 10.039 -10.244 80.571 1.00 0.00 C ATOM 933 OD1 ASP A 60 9.566 -9.962 79.482 1.00 0.00 O ATOM 934 OD2 ASP A 60 10.356 -9.419 81.411 1.00 0.00 O ATOM 0 H ASP A 60 11.223 -13.936 81.496 1.00 0.00 H new ATOM 0 HA ASP A 60 11.540 -12.076 79.236 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.422 -12.310 80.499 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.239 -11.862 81.984 1.00 0.00 H new ATOM 939 N ILE A 61 13.706 -12.113 81.429 1.00 0.00 N ATOM 940 CA ILE A 61 14.910 -11.487 82.052 1.00 0.00 C ATOM 941 C ILE A 61 15.617 -10.582 81.053 1.00 0.00 C ATOM 942 O ILE A 61 16.312 -9.654 81.417 1.00 0.00 O ATOM 943 CB ILE A 61 15.861 -12.613 82.445 1.00 0.00 C ATOM 944 CG1 ILE A 61 17.036 -12.051 83.244 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.391 -13.274 81.172 1.00 0.00 C ATOM 946 CD1 ILE A 61 18.056 -13.166 83.490 1.00 0.00 C ATOM 0 H ILE A 61 13.708 -13.133 81.451 1.00 0.00 H new ATOM 0 HA ILE A 61 14.612 -10.892 82.915 1.00 0.00 H new ATOM 0 HB ILE A 61 15.329 -13.341 83.058 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.502 -11.229 82.700 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.685 -11.646 84.193 1.00 0.00 H new ATOM 0 HG21 ILE A 61 17.073 -14.082 81.438 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.557 -13.678 80.597 1.00 0.00 H new ATOM 0 HG23 ILE A 61 16.921 -12.535 80.572 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.897 -12.771 84.060 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.585 -13.973 84.051 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.414 -13.549 82.534 1.00 0.00 H new ATOM 958 N ASN A 62 15.462 -10.866 79.800 1.00 0.00 N ATOM 959 CA ASN A 62 16.139 -10.057 78.757 1.00 0.00 C ATOM 960 C ASN A 62 15.131 -9.687 77.663 1.00 0.00 C ATOM 961 O ASN A 62 15.203 -8.634 77.060 1.00 0.00 O ATOM 962 CB ASN A 62 17.283 -10.891 78.160 1.00 0.00 C ATOM 963 CG ASN A 62 16.714 -12.168 77.534 1.00 0.00 C ATOM 964 OD1 ASN A 62 15.732 -12.789 78.128 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 17.166 -12.606 76.494 1.00 0.00 N flip ATOM 0 H ASN A 62 14.889 -11.632 79.447 1.00 0.00 H new ATOM 0 HA ASN A 62 16.539 -9.140 79.189 1.00 0.00 H new ATOM 0 HB2 ASN A 62 17.815 -10.310 77.407 1.00 0.00 H new ATOM 0 HB3 ASN A 62 18.005 -11.145 78.936 1.00 0.00 H new ATOM 0 HD21 ASN A 62 17.934 -12.122 76.028 1.00 0.00 H new ATOM 0 HD22 ASN A 62 16.778 -13.457 76.088 1.00 0.00 H new ATOM 972 N ALA A 63 14.189 -10.552 77.415 1.00 0.00 N ATOM 973 CA ALA A 63 13.147 -10.305 76.363 1.00 0.00 C ATOM 974 C ALA A 63 12.949 -8.805 76.038 1.00 0.00 C ATOM 975 O ALA A 63 13.059 -8.428 74.880 1.00 0.00 O ATOM 976 CB ALA A 63 11.823 -10.920 76.804 1.00 0.00 C ATOM 0 H ALA A 63 14.090 -11.441 77.905 1.00 0.00 H new ATOM 0 HA ALA A 63 13.502 -10.777 75.447 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.066 -10.741 76.040 1.00 0.00 H new ATOM 0 HB2 ALA A 63 11.949 -11.993 76.945 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.506 -10.466 77.743 1.00 0.00 H new ATOM 982 N PRO A 64 12.673 -7.980 77.027 1.00 0.00 N ATOM 983 CA PRO A 64 12.475 -6.534 76.833 1.00 0.00 C ATOM 984 C PRO A 64 13.005 -6.015 75.495 1.00 0.00 C ATOM 985 O PRO A 64 14.079 -6.357 75.049 1.00 0.00 O ATOM 986 CB PRO A 64 13.209 -5.970 78.048 1.00 0.00 C ATOM 987 CG PRO A 64 13.111 -7.084 79.140 1.00 0.00 C ATOM 988 CD PRO A 64 12.559 -8.345 78.438 1.00 0.00 C ATOM 0 HA PRO A 64 11.428 -6.236 76.776 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.248 -5.743 77.810 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.750 -5.042 78.390 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.088 -7.282 79.580 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.453 -6.774 79.952 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.142 -9.234 78.678 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.528 -8.553 78.724 1.00 0.00 H new ATOM 996 N ASP A 65 12.211 -5.186 74.861 1.00 0.00 N ATOM 997 CA ASP A 65 12.579 -4.602 73.541 1.00 0.00 C ATOM 998 C ASP A 65 12.165 -3.128 73.516 1.00 0.00 C ATOM 999 O ASP A 65 12.928 -2.261 73.149 1.00 0.00 O ATOM 1000 CB ASP A 65 11.828 -5.359 72.441 1.00 0.00 C ATOM 1001 CG ASP A 65 12.482 -6.721 72.214 1.00 0.00 C ATOM 1002 OD1 ASP A 65 13.628 -6.741 71.798 1.00 0.00 O ATOM 1003 OD2 ASP A 65 11.828 -7.722 72.461 1.00 0.00 O ATOM 0 H ASP A 65 11.303 -4.885 75.215 1.00 0.00 H new ATOM 0 HA ASP A 65 13.654 -4.684 73.379 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.783 -5.489 72.724 1.00 0.00 H new ATOM 0 HB3 ASP A 65 11.838 -4.781 71.517 1.00 0.00 H new ATOM 1008 N LYS A 66 10.948 -2.842 73.906 1.00 0.00 N ATOM 1009 CA LYS A 66 10.460 -1.443 73.913 1.00 0.00 C ATOM 1010 C LYS A 66 10.829 -0.780 75.244 1.00 0.00 C ATOM 1011 O LYS A 66 10.842 0.429 75.367 1.00 0.00 O ATOM 1012 CB LYS A 66 8.945 -1.470 73.756 1.00 0.00 C ATOM 1013 CG LYS A 66 8.460 -0.099 73.310 1.00 0.00 C ATOM 1014 CD LYS A 66 8.443 -0.023 71.779 1.00 0.00 C ATOM 1015 CE LYS A 66 8.359 1.441 71.341 1.00 0.00 C ATOM 1016 NZ LYS A 66 8.194 1.511 69.861 1.00 0.00 N ATOM 0 H LYS A 66 10.268 -3.533 74.223 1.00 0.00 H new ATOM 0 HA LYS A 66 10.914 -0.877 73.099 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.657 -2.226 73.025 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.475 -1.745 74.700 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.461 0.088 73.703 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.112 0.676 73.714 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.342 -0.484 71.371 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.593 -0.580 71.386 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.520 1.931 71.834 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.261 1.974 71.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.137 2.506 69.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.008 1.058 69.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.321 1.017 69.585 1.00 0.00 H new ATOM 1030 N HIS A 67 11.120 -1.567 76.239 1.00 0.00 N ATOM 1031 CA HIS A 67 11.478 -1.004 77.568 1.00 0.00 C ATOM 1032 C HIS A 67 12.946 -0.590 77.578 1.00 0.00 C ATOM 1033 O HIS A 67 13.411 0.043 78.506 1.00 0.00 O ATOM 1034 CB HIS A 67 11.248 -2.079 78.629 1.00 0.00 C ATOM 1035 CG HIS A 67 9.787 -2.142 78.964 1.00 0.00 C ATOM 1036 ND1 HIS A 67 9.328 -2.461 80.232 1.00 0.00 N ATOM 1037 CD2 HIS A 67 8.667 -1.928 78.202 1.00 0.00 C ATOM 1038 CE1 HIS A 67 7.983 -2.429 80.195 1.00 0.00 C ATOM 1039 NE2 HIS A 67 7.528 -2.109 78.980 1.00 0.00 N ATOM 0 H HIS A 67 11.125 -2.586 76.188 1.00 0.00 H new ATOM 0 HA HIS A 67 10.862 -0.129 77.776 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.591 -3.047 78.263 1.00 0.00 H new ATOM 0 HB3 HIS A 67 11.828 -1.853 79.524 1.00 0.00 H new ATOM 0 HD2 HIS A 67 8.669 -1.660 77.156 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.349 -2.637 81.044 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.555 -2.017 78.686 1.00 0.00 H new ATOM 1047 N HIS A 68 13.685 -0.940 76.565 1.00 0.00 N ATOM 1048 CA HIS A 68 15.120 -0.562 76.547 1.00 0.00 C ATOM 1049 C HIS A 68 15.732 -0.907 77.903 1.00 0.00 C ATOM 1050 O HIS A 68 16.738 -0.351 78.297 1.00 0.00 O ATOM 1051 CB HIS A 68 15.246 0.942 76.294 1.00 0.00 C ATOM 1052 CG HIS A 68 16.670 1.286 75.948 1.00 0.00 C ATOM 1053 ND1 HIS A 68 17.719 0.407 76.163 1.00 0.00 N ATOM 1054 CD2 HIS A 68 17.232 2.415 75.402 1.00 0.00 C ATOM 1055 CE1 HIS A 68 18.849 1.015 75.752 1.00 0.00 C ATOM 1056 NE2 HIS A 68 18.608 2.240 75.280 1.00 0.00 N ATOM 0 H HIS A 68 13.359 -1.468 75.755 1.00 0.00 H new ATOM 0 HA HIS A 68 15.641 -1.102 75.756 1.00 0.00 H new ATOM 0 HB2 HIS A 68 14.583 1.240 75.482 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.934 1.496 77.179 1.00 0.00 H new ATOM 0 HD1 HIS A 68 17.649 -0.530 76.560 1.00 0.00 H new ATOM 0 HD2 HIS A 68 16.689 3.302 75.112 1.00 0.00 H new ATOM 0 HE1 HIS A 68 19.830 0.566 75.799 1.00 0.00 H new ATOM 1064 N ILE A 69 15.137 -1.825 78.623 1.00 0.00 N ATOM 1065 CA ILE A 69 15.706 -2.191 79.943 1.00 0.00 C ATOM 1066 C ILE A 69 15.299 -3.609 80.346 1.00 0.00 C ATOM 1067 O ILE A 69 14.310 -4.153 79.897 1.00 0.00 O ATOM 1068 CB ILE A 69 15.229 -1.181 81.012 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.450 -0.638 81.771 1.00 0.00 C ATOM 1070 CG2 ILE A 69 14.263 -1.838 82.007 1.00 0.00 C ATOM 1071 CD1 ILE A 69 17.188 -1.776 82.493 1.00 0.00 C ATOM 0 H ILE A 69 14.292 -2.328 78.353 1.00 0.00 H new ATOM 0 HA ILE A 69 16.793 -2.160 79.869 1.00 0.00 H new ATOM 0 HB ILE A 69 14.702 -0.370 80.510 1.00 0.00 H new ATOM 0 HG12 ILE A 69 17.127 -0.142 81.075 1.00 0.00 H new ATOM 0 HG13 ILE A 69 16.131 0.112 82.494 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.946 -1.102 82.746 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.391 -2.215 81.473 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.765 -2.664 82.510 1.00 0.00 H new ATOM 0 HD11 ILE A 69 18.049 -1.371 83.025 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.514 -2.253 83.204 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.525 -2.512 81.763 1.00 0.00 H new ATOM 1083 N THR A 70 16.071 -4.176 81.216 1.00 0.00 N ATOM 1084 CA THR A 70 15.805 -5.530 81.734 1.00 0.00 C ATOM 1085 C THR A 70 15.377 -5.366 83.191 1.00 0.00 C ATOM 1086 O THR A 70 15.540 -4.301 83.750 1.00 0.00 O ATOM 1087 CB THR A 70 17.089 -6.351 81.586 1.00 0.00 C ATOM 1088 OG1 THR A 70 17.185 -7.303 82.632 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.282 -5.399 81.618 1.00 0.00 C ATOM 0 H THR A 70 16.907 -3.737 81.602 1.00 0.00 H new ATOM 0 HA THR A 70 15.016 -6.053 81.194 1.00 0.00 H new ATOM 0 HB THR A 70 17.077 -6.891 80.639 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.050 -8.203 82.269 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.205 -5.969 81.514 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.201 -4.686 80.797 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.293 -4.861 82.566 1.00 0.00 H new ATOM 1097 N PRO A 71 14.763 -6.365 83.750 1.00 0.00 N ATOM 1098 CA PRO A 71 14.227 -6.270 85.121 1.00 0.00 C ATOM 1099 C PRO A 71 15.300 -6.273 86.226 1.00 0.00 C ATOM 1100 O PRO A 71 14.998 -5.925 87.350 1.00 0.00 O ATOM 1101 CB PRO A 71 13.287 -7.488 85.231 1.00 0.00 C ATOM 1102 CG PRO A 71 13.242 -8.135 83.821 1.00 0.00 C ATOM 1103 CD PRO A 71 14.516 -7.666 83.111 1.00 0.00 C ATOM 0 HA PRO A 71 13.725 -5.316 85.278 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.655 -8.197 85.972 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.291 -7.182 85.550 1.00 0.00 H new ATOM 0 HG2 PRO A 71 13.209 -9.222 83.890 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.352 -7.823 83.275 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.345 -8.358 83.261 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.371 -7.571 82.035 1.00 0.00 H new ATOM 1111 N LEU A 72 16.533 -6.656 85.986 1.00 0.00 N ATOM 1112 CA LEU A 72 17.480 -6.617 87.139 1.00 0.00 C ATOM 1113 C LEU A 72 17.500 -5.190 87.689 1.00 0.00 C ATOM 1114 O LEU A 72 17.538 -4.979 88.890 1.00 0.00 O ATOM 1115 CB LEU A 72 18.938 -7.028 86.796 1.00 0.00 C ATOM 1116 CG LEU A 72 19.094 -7.853 85.503 1.00 0.00 C ATOM 1117 CD1 LEU A 72 18.014 -8.932 85.373 1.00 0.00 C ATOM 1118 CD2 LEU A 72 19.080 -6.927 84.286 1.00 0.00 C ATOM 0 H LEU A 72 16.907 -6.977 85.093 1.00 0.00 H new ATOM 0 HA LEU A 72 17.118 -7.349 87.861 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.543 -6.126 86.709 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.343 -7.604 87.628 1.00 0.00 H new ATOM 0 HG LEU A 72 20.054 -8.367 85.552 1.00 0.00 H new ATOM 0 HD11 LEU A 72 18.164 -9.488 84.447 1.00 0.00 H new ATOM 0 HD12 LEU A 72 18.078 -9.615 86.220 1.00 0.00 H new ATOM 0 HD13 LEU A 72 17.030 -8.462 85.359 1.00 0.00 H new ATOM 0 HD21 LEU A 72 19.191 -7.519 83.377 1.00 0.00 H new ATOM 0 HD22 LEU A 72 18.135 -6.384 84.253 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.904 -6.217 84.359 1.00 0.00 H new ATOM 1130 N LEU A 73 17.468 -4.203 86.832 1.00 0.00 N ATOM 1131 CA LEU A 73 17.479 -2.798 87.335 1.00 0.00 C ATOM 1132 C LEU A 73 16.130 -2.475 87.964 1.00 0.00 C ATOM 1133 O LEU A 73 16.025 -1.627 88.826 1.00 0.00 O ATOM 1134 CB LEU A 73 17.785 -1.833 86.195 1.00 0.00 C ATOM 1135 CG LEU A 73 19.135 -2.220 85.581 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.930 -3.271 84.482 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.801 -0.977 84.992 1.00 0.00 C ATOM 0 H LEU A 73 17.435 -4.307 85.818 1.00 0.00 H new ATOM 0 HA LEU A 73 18.257 -2.690 88.090 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.999 -1.876 85.441 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.816 -0.808 86.564 1.00 0.00 H new ATOM 0 HG LEU A 73 19.775 -2.641 86.356 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.895 -3.540 84.051 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.463 -4.158 84.910 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.286 -2.862 83.703 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.761 -1.251 84.555 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.159 -0.552 84.220 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.958 -0.240 85.780 1.00 0.00 H new ATOM 1149 N SER A 74 15.094 -3.148 87.565 1.00 0.00 N ATOM 1150 CA SER A 74 13.774 -2.870 88.178 1.00 0.00 C ATOM 1151 C SER A 74 13.879 -3.073 89.693 1.00 0.00 C ATOM 1152 O SER A 74 13.442 -2.251 90.478 1.00 0.00 O ATOM 1153 CB SER A 74 12.725 -3.812 87.581 1.00 0.00 C ATOM 1154 OG SER A 74 11.482 -3.615 88.239 1.00 0.00 O ATOM 0 H SER A 74 15.103 -3.873 86.847 1.00 0.00 H new ATOM 0 HA SER A 74 13.473 -1.842 87.975 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.617 -3.623 86.513 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.046 -4.848 87.691 1.00 0.00 H new ATOM 0 HG SER A 74 10.749 -3.779 87.610 1.00 0.00 H new ATOM 1160 N ALA A 75 14.472 -4.160 90.114 1.00 0.00 N ATOM 1161 CA ALA A 75 14.612 -4.411 91.582 1.00 0.00 C ATOM 1162 C ALA A 75 15.660 -3.460 92.187 1.00 0.00 C ATOM 1163 O ALA A 75 15.553 -3.046 93.324 1.00 0.00 O ATOM 1164 CB ALA A 75 15.028 -5.864 91.816 1.00 0.00 C ATOM 0 H ALA A 75 14.864 -4.882 89.510 1.00 0.00 H new ATOM 0 HA ALA A 75 13.653 -4.228 92.068 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.130 -6.046 92.886 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.269 -6.530 91.405 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.982 -6.053 91.324 1.00 0.00 H new ATOM 1170 N VAL A 76 16.670 -3.118 91.431 1.00 0.00 N ATOM 1171 CA VAL A 76 17.736 -2.202 91.945 1.00 0.00 C ATOM 1172 C VAL A 76 17.095 -1.037 92.710 1.00 0.00 C ATOM 1173 O VAL A 76 17.200 -0.949 93.918 1.00 0.00 O ATOM 1174 CB VAL A 76 18.562 -1.700 90.747 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.395 -0.464 91.113 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.503 -2.823 90.296 1.00 0.00 C ATOM 0 H VAL A 76 16.805 -3.436 90.471 1.00 0.00 H new ATOM 0 HA VAL A 76 18.395 -2.727 92.636 1.00 0.00 H new ATOM 0 HB VAL A 76 17.876 -1.420 89.948 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.965 -0.138 90.243 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.732 0.339 91.434 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.081 -0.714 91.923 1.00 0.00 H new ATOM 0 HG21 VAL A 76 20.096 -2.482 89.447 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.167 -3.093 91.117 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.916 -3.694 90.003 1.00 0.00 H new ATOM 1186 N TYR A 77 16.431 -0.146 92.030 1.00 0.00 N ATOM 1187 CA TYR A 77 15.786 0.993 92.741 1.00 0.00 C ATOM 1188 C TYR A 77 14.521 0.496 93.453 1.00 0.00 C ATOM 1189 O TYR A 77 13.462 1.079 93.328 1.00 0.00 O ATOM 1190 CB TYR A 77 15.413 2.090 91.735 1.00 0.00 C ATOM 1191 CG TYR A 77 16.185 1.908 90.443 1.00 0.00 C ATOM 1192 CD1 TYR A 77 15.687 1.059 89.442 1.00 0.00 C ATOM 1193 CD2 TYR A 77 17.385 2.600 90.236 1.00 0.00 C ATOM 1194 CE1 TYR A 77 16.391 0.906 88.238 1.00 0.00 C ATOM 1195 CE2 TYR A 77 18.086 2.442 89.031 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.588 1.597 88.035 1.00 0.00 C ATOM 1197 OH TYR A 77 18.284 1.447 86.850 1.00 0.00 O ATOM 0 H TYR A 77 16.307 -0.156 91.018 1.00 0.00 H new ATOM 0 HA TYR A 77 16.481 1.402 93.474 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.342 2.059 91.534 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.629 3.070 92.160 1.00 0.00 H new ATOM 0 HD1 TYR A 77 14.762 0.524 89.599 1.00 0.00 H new ATOM 0 HD2 TYR A 77 17.770 3.255 91.003 1.00 0.00 H new ATOM 0 HE1 TYR A 77 16.007 0.254 87.468 1.00 0.00 H new ATOM 0 HE2 TYR A 77 19.012 2.974 88.873 1.00 0.00 H new ATOM 0 HH TYR A 77 18.503 2.330 86.485 1.00 0.00 H new ATOM 1207 N GLU A 78 14.621 -0.577 94.191 1.00 0.00 N ATOM 1208 CA GLU A 78 13.416 -1.109 94.901 1.00 0.00 C ATOM 1209 C GLU A 78 13.748 -1.374 96.372 1.00 0.00 C ATOM 1210 O GLU A 78 12.884 -1.351 97.223 1.00 0.00 O ATOM 1211 CB GLU A 78 13.004 -2.434 94.245 1.00 0.00 C ATOM 1212 CG GLU A 78 11.521 -2.696 94.488 1.00 0.00 C ATOM 1213 CD GLU A 78 10.705 -1.868 93.499 1.00 0.00 C ATOM 1214 OE1 GLU A 78 11.064 -1.862 92.332 1.00 0.00 O ATOM 1215 OE2 GLU A 78 9.742 -1.250 93.919 1.00 0.00 O ATOM 0 H GLU A 78 15.480 -1.108 94.334 1.00 0.00 H new ATOM 0 HA GLU A 78 12.609 -0.380 94.838 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.205 -2.397 93.174 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.598 -3.252 94.653 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.300 -3.756 94.364 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.254 -2.432 95.511 1.00 0.00 H new ATOM 1222 N GLY A 79 14.983 -1.667 96.669 1.00 0.00 N ATOM 1223 CA GLY A 79 15.353 -1.982 98.076 1.00 0.00 C ATOM 1224 C GLY A 79 15.232 -3.492 98.245 1.00 0.00 C ATOM 1225 O GLY A 79 15.579 -4.054 99.267 1.00 0.00 O ATOM 0 H GLY A 79 15.751 -1.702 95.999 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.369 -1.651 98.290 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.695 -1.463 98.773 1.00 0.00 H new ATOM 1229 N HIS A 80 14.743 -4.157 97.232 1.00 0.00 N ATOM 1230 CA HIS A 80 14.596 -5.634 97.303 1.00 0.00 C ATOM 1231 C HIS A 80 15.953 -6.267 97.009 1.00 0.00 C ATOM 1232 O HIS A 80 16.507 -6.978 97.825 1.00 0.00 O ATOM 1233 CB HIS A 80 13.571 -6.089 96.257 1.00 0.00 C ATOM 1234 CG HIS A 80 12.190 -6.049 96.862 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.465 -7.200 97.137 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.394 -5.004 97.265 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.293 -6.822 97.678 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.198 -5.495 97.781 1.00 0.00 N ATOM 0 H HIS A 80 14.438 -3.735 96.355 1.00 0.00 H new ATOM 0 HA HIS A 80 14.253 -5.937 98.292 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.616 -5.441 95.381 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.803 -7.099 95.919 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.657 -3.959 97.192 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.522 -7.510 97.991 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.417 -4.957 98.157 1.00 0.00 H new ATOM 1246 N VAL A 81 16.494 -5.991 95.848 1.00 0.00 N ATOM 1247 CA VAL A 81 17.831 -6.542 95.469 1.00 0.00 C ATOM 1248 C VAL A 81 18.041 -7.951 96.030 1.00 0.00 C ATOM 1249 O VAL A 81 19.137 -8.483 96.028 1.00 0.00 O ATOM 1250 CB VAL A 81 18.926 -5.563 95.917 1.00 0.00 C ATOM 1251 CG1 VAL A 81 19.110 -4.497 94.826 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.492 -4.865 97.214 1.00 0.00 C ATOM 0 H VAL A 81 16.060 -5.400 95.139 1.00 0.00 H new ATOM 0 HA VAL A 81 17.883 -6.644 94.385 1.00 0.00 H new ATOM 0 HB VAL A 81 19.856 -6.106 96.084 1.00 0.00 H new ATOM 0 HG11 VAL A 81 19.885 -3.794 95.131 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.403 -4.978 93.893 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.172 -3.961 94.679 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.270 -4.170 97.531 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.566 -4.318 97.040 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.332 -5.611 97.993 1.00 0.00 H new ATOM 1262 N SER A 82 16.983 -8.589 96.443 1.00 0.00 N ATOM 1263 CA SER A 82 17.083 -9.995 96.916 1.00 0.00 C ATOM 1264 C SER A 82 16.929 -10.854 95.667 1.00 0.00 C ATOM 1265 O SER A 82 17.429 -11.956 95.571 1.00 0.00 O ATOM 1266 CB SER A 82 15.954 -10.299 97.909 1.00 0.00 C ATOM 1267 OG SER A 82 15.530 -11.647 97.746 1.00 0.00 O ATOM 0 H SER A 82 16.044 -8.192 96.473 1.00 0.00 H new ATOM 0 HA SER A 82 18.026 -10.187 97.428 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.299 -10.136 98.930 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.117 -9.621 97.743 1.00 0.00 H new ATOM 0 HG SER A 82 15.205 -11.994 98.603 1.00 0.00 H new ATOM 1273 N CYS A 83 16.236 -10.303 94.706 1.00 0.00 N ATOM 1274 CA CYS A 83 16.014 -11.000 93.417 1.00 0.00 C ATOM 1275 C CYS A 83 17.252 -10.807 92.543 1.00 0.00 C ATOM 1276 O CYS A 83 17.770 -11.741 91.964 1.00 0.00 O ATOM 1277 CB CYS A 83 14.792 -10.388 92.727 1.00 0.00 C ATOM 1278 SG CYS A 83 14.592 -8.665 93.251 1.00 0.00 S ATOM 0 H CYS A 83 15.808 -9.379 94.767 1.00 0.00 H new ATOM 0 HA CYS A 83 15.841 -12.064 93.580 1.00 0.00 H new ATOM 0 HB2 CYS A 83 14.911 -10.437 91.645 1.00 0.00 H new ATOM 0 HB3 CYS A 83 13.898 -10.960 92.976 1.00 0.00 H new ATOM 0 HG CYS A 83 13.567 -8.143 92.645 1.00 0.00 H new ATOM 1284 N VAL A 84 17.738 -9.599 92.456 1.00 0.00 N ATOM 1285 CA VAL A 84 18.954 -9.338 91.637 1.00 0.00 C ATOM 1286 C VAL A 84 19.987 -10.424 91.935 1.00 0.00 C ATOM 1287 O VAL A 84 20.741 -10.838 91.076 1.00 0.00 O ATOM 1288 CB VAL A 84 19.550 -7.989 92.029 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.500 -6.888 91.867 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.011 -8.067 93.484 1.00 0.00 C ATOM 0 H VAL A 84 17.344 -8.780 92.918 1.00 0.00 H new ATOM 0 HA VAL A 84 18.690 -9.336 90.579 1.00 0.00 H new ATOM 0 HB VAL A 84 20.397 -7.754 91.385 1.00 0.00 H new ATOM 0 HG11 VAL A 84 18.933 -5.928 92.149 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.173 -6.848 90.828 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.645 -7.103 92.509 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.440 -7.110 93.781 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.159 -8.297 94.124 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.763 -8.849 93.586 1.00 0.00 H new ATOM 1300 N LYS A 85 20.029 -10.868 93.164 1.00 0.00 N ATOM 1301 CA LYS A 85 21.019 -11.915 93.549 1.00 0.00 C ATOM 1302 C LYS A 85 20.804 -13.196 92.704 1.00 0.00 C ATOM 1303 O LYS A 85 21.524 -13.456 91.749 1.00 0.00 O ATOM 1304 CB LYS A 85 20.861 -12.259 95.040 1.00 0.00 C ATOM 1305 CG LYS A 85 20.521 -11.020 95.879 1.00 0.00 C ATOM 1306 CD LYS A 85 21.735 -10.083 95.971 1.00 0.00 C ATOM 1307 CE LYS A 85 22.642 -10.509 97.134 1.00 0.00 C ATOM 1308 NZ LYS A 85 21.925 -10.327 98.431 1.00 0.00 N ATOM 0 H LYS A 85 19.420 -10.550 93.918 1.00 0.00 H new ATOM 0 HA LYS A 85 22.022 -11.529 93.365 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.076 -13.005 95.159 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.784 -12.706 95.410 1.00 0.00 H new ATOM 0 HG2 LYS A 85 19.679 -10.491 95.433 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.212 -11.324 96.879 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.294 -10.107 95.036 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.401 -9.056 96.117 1.00 0.00 H new ATOM 0 HE2 LYS A 85 22.936 -11.552 97.014 1.00 0.00 H new ATOM 0 HE3 LYS A 85 23.557 -9.917 97.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 22.615 -10.132 99.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 21.263 -9.529 98.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 21.397 -11.193 98.660 1.00 0.00 H new ATOM 1322 N LEU A 86 19.831 -14.014 93.049 1.00 0.00 N ATOM 1323 CA LEU A 86 19.602 -15.265 92.260 1.00 0.00 C ATOM 1324 C LEU A 86 19.195 -14.933 90.829 1.00 0.00 C ATOM 1325 O LEU A 86 18.953 -15.814 90.024 1.00 0.00 O ATOM 1326 CB LEU A 86 18.560 -16.185 92.918 1.00 0.00 C ATOM 1327 CG LEU A 86 17.186 -15.517 93.088 1.00 0.00 C ATOM 1328 CD1 LEU A 86 17.279 -14.306 94.015 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.604 -15.089 91.734 1.00 0.00 C ATOM 0 H LEU A 86 19.195 -13.869 93.833 1.00 0.00 H new ATOM 0 HA LEU A 86 20.547 -15.809 92.241 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.447 -17.086 92.315 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.927 -16.500 93.895 1.00 0.00 H new ATOM 0 HG LEU A 86 16.520 -16.255 93.535 1.00 0.00 H new ATOM 0 HD11 LEU A 86 16.294 -13.851 94.119 1.00 0.00 H new ATOM 0 HD12 LEU A 86 17.637 -14.624 94.994 1.00 0.00 H new ATOM 0 HD13 LEU A 86 17.972 -13.578 93.594 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.632 -14.620 91.888 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.278 -14.378 91.256 1.00 0.00 H new ATOM 0 HD23 LEU A 86 16.487 -15.964 91.095 1.00 0.00 H new ATOM 1341 N LEU A 87 19.130 -13.680 90.492 1.00 0.00 N ATOM 1342 CA LEU A 87 18.760 -13.328 89.104 1.00 0.00 C ATOM 1343 C LEU A 87 19.896 -13.789 88.208 1.00 0.00 C ATOM 1344 O LEU A 87 19.695 -14.199 87.084 1.00 0.00 O ATOM 1345 CB LEU A 87 18.608 -11.816 88.987 1.00 0.00 C ATOM 1346 CG LEU A 87 17.254 -11.492 88.372 1.00 0.00 C ATOM 1347 CD1 LEU A 87 17.035 -9.978 88.385 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.212 -12.011 86.932 1.00 0.00 C ATOM 0 H LEU A 87 19.316 -12.892 91.113 1.00 0.00 H new ATOM 0 HA LEU A 87 17.819 -13.800 88.820 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.694 -11.353 89.970 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.408 -11.405 88.371 1.00 0.00 H new ATOM 0 HG LEU A 87 16.465 -11.972 88.951 1.00 0.00 H new ATOM 0 HD11 LEU A 87 16.065 -9.747 87.944 1.00 0.00 H new ATOM 0 HD12 LEU A 87 17.063 -9.615 89.412 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.821 -9.492 87.807 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.243 -11.780 86.490 1.00 0.00 H new ATOM 0 HD22 LEU A 87 18.000 -11.533 86.350 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.364 -13.090 86.930 1.00 0.00 H new ATOM 1360 N LEU A 88 21.091 -13.738 88.720 1.00 0.00 N ATOM 1361 CA LEU A 88 22.258 -14.192 87.939 1.00 0.00 C ATOM 1362 C LEU A 88 22.237 -15.697 87.890 1.00 0.00 C ATOM 1363 O LEU A 88 22.835 -16.311 87.027 1.00 0.00 O ATOM 1364 CB LEU A 88 23.541 -13.755 88.627 1.00 0.00 C ATOM 1365 CG LEU A 88 23.394 -12.309 89.085 1.00 0.00 C ATOM 1366 CD1 LEU A 88 24.207 -12.110 90.366 1.00 0.00 C ATOM 1367 CD2 LEU A 88 23.909 -11.387 87.977 1.00 0.00 C ATOM 0 H LEU A 88 21.306 -13.397 89.657 1.00 0.00 H new ATOM 0 HA LEU A 88 22.216 -13.765 86.937 1.00 0.00 H new ATOM 0 HB2 LEU A 88 23.749 -14.400 89.480 1.00 0.00 H new ATOM 0 HB3 LEU A 88 24.385 -13.849 87.944 1.00 0.00 H new ATOM 0 HG LEU A 88 22.349 -12.074 89.288 1.00 0.00 H new ATOM 0 HD11 LEU A 88 24.109 -11.078 90.703 1.00 0.00 H new ATOM 0 HD12 LEU A 88 23.836 -12.781 91.140 1.00 0.00 H new ATOM 0 HD13 LEU A 88 25.256 -12.329 90.169 1.00 0.00 H new ATOM 0 HD21 LEU A 88 23.809 -10.348 88.292 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.958 -11.607 87.779 1.00 0.00 H new ATOM 0 HD23 LEU A 88 23.327 -11.548 87.070 1.00 0.00 H new ATOM 1379 N SER A 89 21.549 -16.308 88.808 1.00 0.00 N ATOM 1380 CA SER A 89 21.501 -17.787 88.787 1.00 0.00 C ATOM 1381 C SER A 89 21.118 -18.197 87.369 1.00 0.00 C ATOM 1382 O SER A 89 21.239 -19.344 86.964 1.00 0.00 O ATOM 1383 CB SER A 89 20.470 -18.285 89.794 1.00 0.00 C ATOM 1384 OG SER A 89 20.697 -19.663 90.049 1.00 0.00 O ATOM 0 H SER A 89 21.027 -15.856 89.559 1.00 0.00 H new ATOM 0 HA SER A 89 22.463 -18.221 89.061 1.00 0.00 H new ATOM 0 HB2 SER A 89 20.543 -17.714 90.720 1.00 0.00 H new ATOM 0 HB3 SER A 89 19.463 -18.135 89.406 1.00 0.00 H new ATOM 0 HG SER A 89 20.950 -20.113 89.216 1.00 0.00 H new ATOM 1390 N LYS A 90 20.672 -17.231 86.609 1.00 0.00 N ATOM 1391 CA LYS A 90 20.286 -17.460 85.201 1.00 0.00 C ATOM 1392 C LYS A 90 21.302 -16.763 84.280 1.00 0.00 C ATOM 1393 O LYS A 90 21.618 -17.242 83.210 1.00 0.00 O ATOM 1394 CB LYS A 90 18.905 -16.844 84.994 1.00 0.00 C ATOM 1395 CG LYS A 90 17.818 -17.882 85.283 1.00 0.00 C ATOM 1396 CD LYS A 90 17.672 -18.120 86.794 1.00 0.00 C ATOM 1397 CE LYS A 90 17.066 -16.885 87.471 1.00 0.00 C ATOM 1398 NZ LYS A 90 16.282 -17.312 88.668 1.00 0.00 N ATOM 0 H LYS A 90 20.559 -16.267 86.924 1.00 0.00 H new ATOM 0 HA LYS A 90 20.268 -18.525 84.971 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.780 -15.983 85.650 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.810 -16.481 83.971 1.00 0.00 H new ATOM 0 HG2 LYS A 90 16.868 -17.543 84.871 1.00 0.00 H new ATOM 0 HG3 LYS A 90 18.064 -18.820 84.786 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.038 -18.989 86.973 1.00 0.00 H new ATOM 0 HD3 LYS A 90 18.646 -18.341 87.230 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.856 -16.194 87.767 1.00 0.00 H new ATOM 0 HE3 LYS A 90 16.422 -16.352 86.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 15.645 -16.543 88.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 15.721 -18.156 88.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.933 -17.535 89.448 1.00 0.00 H new ATOM 1412 N GLY A 91 21.795 -15.628 84.696 1.00 0.00 N ATOM 1413 CA GLY A 91 22.774 -14.865 83.870 1.00 0.00 C ATOM 1414 C GLY A 91 22.397 -13.382 83.895 1.00 0.00 C ATOM 1415 O GLY A 91 22.916 -12.611 84.676 1.00 0.00 O ATOM 0 H GLY A 91 21.557 -15.191 85.586 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.783 -15.004 84.258 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.773 -15.237 82.845 1.00 0.00 H new ATOM 1419 N ALA A 92 21.481 -12.979 83.056 1.00 0.00 N ATOM 1420 CA ALA A 92 21.059 -11.550 83.043 1.00 0.00 C ATOM 1421 C ALA A 92 22.285 -10.643 82.985 1.00 0.00 C ATOM 1422 O ALA A 92 22.181 -9.447 83.159 1.00 0.00 O ATOM 1423 CB ALA A 92 20.299 -11.260 84.341 1.00 0.00 C ATOM 0 H ALA A 92 21.007 -13.578 82.380 1.00 0.00 H new ATOM 0 HA ALA A 92 20.431 -11.363 82.172 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.981 -10.217 84.351 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.424 -11.907 84.403 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.951 -11.449 85.194 1.00 0.00 H new ATOM 1429 N ASP A 93 23.446 -11.192 82.768 1.00 0.00 N ATOM 1430 CA ASP A 93 24.666 -10.332 82.747 1.00 0.00 C ATOM 1431 C ASP A 93 24.472 -9.229 83.787 1.00 0.00 C ATOM 1432 O ASP A 93 24.398 -9.494 84.972 1.00 0.00 O ATOM 1433 CB ASP A 93 24.864 -9.717 81.356 1.00 0.00 C ATOM 1434 CG ASP A 93 26.145 -8.879 81.349 1.00 0.00 C ATOM 1435 OD1 ASP A 93 27.201 -9.448 81.123 1.00 0.00 O ATOM 1436 OD2 ASP A 93 26.050 -7.683 81.572 1.00 0.00 O ATOM 0 H ASP A 93 23.605 -12.186 82.606 1.00 0.00 H new ATOM 0 HA ASP A 93 25.551 -10.925 82.978 1.00 0.00 H new ATOM 0 HB2 ASP A 93 24.927 -10.504 80.604 1.00 0.00 H new ATOM 0 HB3 ASP A 93 24.008 -9.095 81.096 1.00 0.00 H new ATOM 1441 N LYS A 94 24.357 -8.010 83.364 1.00 0.00 N ATOM 1442 CA LYS A 94 24.131 -6.909 84.330 1.00 0.00 C ATOM 1443 C LYS A 94 23.779 -5.661 83.548 1.00 0.00 C ATOM 1444 O LYS A 94 22.898 -4.905 83.903 1.00 0.00 O ATOM 1445 CB LYS A 94 25.393 -6.677 85.146 1.00 0.00 C ATOM 1446 CG LYS A 94 25.012 -6.098 86.515 1.00 0.00 C ATOM 1447 CD LYS A 94 24.541 -4.639 86.372 1.00 0.00 C ATOM 1448 CE LYS A 94 23.010 -4.552 86.488 1.00 0.00 C ATOM 1449 NZ LYS A 94 22.623 -4.323 87.908 1.00 0.00 N ATOM 0 H LYS A 94 24.410 -7.726 82.386 1.00 0.00 H new ATOM 0 HA LYS A 94 23.320 -7.162 85.013 1.00 0.00 H new ATOM 0 HB2 LYS A 94 25.935 -7.614 85.273 1.00 0.00 H new ATOM 0 HB3 LYS A 94 26.059 -5.992 84.621 1.00 0.00 H new ATOM 0 HG2 LYS A 94 24.221 -6.699 86.963 1.00 0.00 H new ATOM 0 HG3 LYS A 94 25.868 -6.145 87.188 1.00 0.00 H new ATOM 0 HD2 LYS A 94 25.005 -4.024 87.143 1.00 0.00 H new ATOM 0 HD3 LYS A 94 24.862 -4.240 85.410 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.635 -3.741 85.864 1.00 0.00 H new ATOM 0 HE3 LYS A 94 22.556 -5.473 86.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 21.903 -5.020 88.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 23.460 -4.426 88.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 22.235 -3.364 88.012 1.00 0.00 H new ATOM 1463 N THR A 95 24.455 -5.467 82.465 1.00 0.00 N ATOM 1464 CA THR A 95 24.181 -4.303 81.604 1.00 0.00 C ATOM 1465 C THR A 95 23.722 -4.877 80.278 1.00 0.00 C ATOM 1466 O THR A 95 24.314 -4.653 79.236 1.00 0.00 O ATOM 1467 CB THR A 95 25.457 -3.483 81.423 1.00 0.00 C ATOM 1468 OG1 THR A 95 26.570 -4.362 81.341 1.00 0.00 O ATOM 1469 CG2 THR A 95 25.626 -2.549 82.622 1.00 0.00 C ATOM 0 H THR A 95 25.201 -6.079 82.134 1.00 0.00 H new ATOM 0 HA THR A 95 23.428 -3.641 82.032 1.00 0.00 H new ATOM 0 HB THR A 95 25.394 -2.893 80.509 1.00 0.00 H new ATOM 0 HG1 THR A 95 27.391 -3.840 81.223 1.00 0.00 H new ATOM 0 HG21 THR A 95 26.535 -1.960 82.499 1.00 0.00 H new ATOM 0 HG22 THR A 95 24.767 -1.881 82.687 1.00 0.00 H new ATOM 0 HG23 THR A 95 25.696 -3.139 83.536 1.00 0.00 H new ATOM 1477 N VAL A 96 22.679 -5.660 80.328 1.00 0.00 N ATOM 1478 CA VAL A 96 22.186 -6.308 79.099 1.00 0.00 C ATOM 1479 C VAL A 96 21.665 -5.240 78.144 1.00 0.00 C ATOM 1480 O VAL A 96 21.828 -5.355 76.941 1.00 0.00 O ATOM 1481 CB VAL A 96 21.038 -7.260 79.452 1.00 0.00 C ATOM 1482 CG1 VAL A 96 20.597 -7.992 78.189 1.00 0.00 C ATOM 1483 CG2 VAL A 96 21.494 -8.284 80.501 1.00 0.00 C ATOM 0 H VAL A 96 22.151 -5.874 81.174 1.00 0.00 H new ATOM 0 HA VAL A 96 22.997 -6.865 78.630 1.00 0.00 H new ATOM 0 HB VAL A 96 20.209 -6.684 79.863 1.00 0.00 H new ATOM 0 HG11 VAL A 96 19.780 -8.672 78.429 1.00 0.00 H new ATOM 0 HG12 VAL A 96 20.260 -7.268 77.448 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.436 -8.560 77.786 1.00 0.00 H new ATOM 0 HG21 VAL A 96 20.667 -8.952 80.741 1.00 0.00 H new ATOM 0 HG22 VAL A 96 22.327 -8.865 80.105 1.00 0.00 H new ATOM 0 HG23 VAL A 96 21.812 -7.763 81.404 1.00 0.00 H new ATOM 1493 N LYS A 97 21.052 -4.193 78.634 1.00 0.00 N ATOM 1494 CA LYS A 97 20.569 -3.167 77.688 1.00 0.00 C ATOM 1495 C LYS A 97 20.201 -1.848 78.372 1.00 0.00 C ATOM 1496 O LYS A 97 19.527 -1.019 77.798 1.00 0.00 O ATOM 1497 CB LYS A 97 19.364 -3.712 76.958 1.00 0.00 C ATOM 1498 CG LYS A 97 18.422 -4.441 77.924 1.00 0.00 C ATOM 1499 CD LYS A 97 17.287 -5.093 77.126 1.00 0.00 C ATOM 1500 CE LYS A 97 16.600 -4.042 76.248 1.00 0.00 C ATOM 1501 NZ LYS A 97 15.209 -4.483 75.940 1.00 0.00 N ATOM 0 H LYS A 97 20.873 -4.014 79.622 1.00 0.00 H new ATOM 0 HA LYS A 97 21.382 -2.945 76.997 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.830 -2.897 76.469 1.00 0.00 H new ATOM 0 HB3 LYS A 97 19.688 -4.396 76.174 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.971 -5.198 78.484 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.014 -3.740 78.652 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.682 -5.897 76.505 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.563 -5.542 77.806 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.583 -3.080 76.760 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.161 -3.901 75.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.874 -4.001 75.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.197 -5.512 75.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.585 -4.244 76.737 1.00 0.00 H new ATOM 1515 N GLY A 98 20.642 -1.630 79.565 1.00 0.00 N ATOM 1516 CA GLY A 98 20.322 -0.332 80.236 1.00 0.00 C ATOM 1517 C GLY A 98 21.085 0.766 79.497 1.00 0.00 C ATOM 1518 O GLY A 98 21.880 0.468 78.631 1.00 0.00 O ATOM 0 H GLY A 98 21.207 -2.281 80.111 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.249 -0.140 80.207 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.613 -0.361 81.286 1.00 0.00 H new ATOM 1522 N PRO A 99 20.848 1.999 79.859 1.00 0.00 N ATOM 1523 CA PRO A 99 21.538 3.139 79.233 1.00 0.00 C ATOM 1524 C PRO A 99 22.999 2.795 78.987 1.00 0.00 C ATOM 1525 O PRO A 99 23.430 2.618 77.866 1.00 0.00 O ATOM 1526 CB PRO A 99 21.372 4.258 80.267 1.00 0.00 C ATOM 1527 CG PRO A 99 20.115 3.891 81.094 1.00 0.00 C ATOM 1528 CD PRO A 99 19.897 2.373 80.923 1.00 0.00 C ATOM 0 HA PRO A 99 21.139 3.420 78.258 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.252 4.332 80.906 1.00 0.00 H new ATOM 0 HB3 PRO A 99 21.250 5.225 79.779 1.00 0.00 H new ATOM 0 HG2 PRO A 99 20.255 4.146 82.145 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.246 4.448 80.744 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.099 1.833 81.848 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.869 2.146 80.639 1.00 0.00 H new ATOM 1536 N ASP A 100 23.760 2.684 80.025 1.00 0.00 N ATOM 1537 CA ASP A 100 25.188 2.335 79.857 1.00 0.00 C ATOM 1538 C ASP A 100 25.731 1.903 81.210 1.00 0.00 C ATOM 1539 O ASP A 100 25.197 1.018 81.853 1.00 0.00 O ATOM 1540 CB ASP A 100 25.958 3.556 79.344 1.00 0.00 C ATOM 1541 CG ASP A 100 27.384 3.146 78.966 1.00 0.00 C ATOM 1542 OD1 ASP A 100 27.572 2.001 78.590 1.00 0.00 O ATOM 1543 OD2 ASP A 100 28.263 3.988 79.055 1.00 0.00 O ATOM 0 H ASP A 100 23.455 2.820 80.989 1.00 0.00 H new ATOM 0 HA ASP A 100 25.302 1.526 79.135 1.00 0.00 H new ATOM 0 HB2 ASP A 100 25.450 3.981 78.478 1.00 0.00 H new ATOM 0 HB3 ASP A 100 25.983 4.330 80.111 1.00 0.00 H new ATOM 1548 N GLY A 101 26.770 2.529 81.663 1.00 0.00 N ATOM 1549 CA GLY A 101 27.328 2.156 82.986 1.00 0.00 C ATOM 1550 C GLY A 101 26.274 2.429 84.066 1.00 0.00 C ATOM 1551 O GLY A 101 26.516 2.262 85.251 1.00 0.00 O ATOM 0 H GLY A 101 27.258 3.282 81.178 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.610 1.103 82.993 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.232 2.730 83.189 1.00 0.00 H new ATOM 1555 N LEU A 102 25.095 2.842 83.679 1.00 0.00 N ATOM 1556 CA LEU A 102 24.070 3.115 84.719 1.00 0.00 C ATOM 1557 C LEU A 102 23.940 1.913 85.615 1.00 0.00 C ATOM 1558 O LEU A 102 24.274 1.962 86.775 1.00 0.00 O ATOM 1559 CB LEU A 102 22.685 3.406 84.135 1.00 0.00 C ATOM 1560 CG LEU A 102 21.740 3.793 85.292 1.00 0.00 C ATOM 1561 CD1 LEU A 102 20.512 4.521 84.750 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.276 2.546 86.060 1.00 0.00 C ATOM 0 H LEU A 102 24.806 2.998 82.713 1.00 0.00 H new ATOM 0 HA LEU A 102 24.406 3.999 85.261 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.743 4.214 83.406 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.303 2.530 83.610 1.00 0.00 H new ATOM 0 HG LEU A 102 22.291 4.447 85.967 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.853 4.788 85.576 1.00 0.00 H new ATOM 0 HD12 LEU A 102 20.826 5.425 84.229 1.00 0.00 H new ATOM 0 HD13 LEU A 102 19.979 3.870 84.058 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.611 2.844 86.871 1.00 0.00 H new ATOM 0 HD22 LEU A 102 20.745 1.878 85.382 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.143 2.030 86.473 1.00 0.00 H new ATOM 1574 N THR A 103 23.418 0.837 85.098 1.00 0.00 N ATOM 1575 CA THR A 103 23.226 -0.353 85.949 1.00 0.00 C ATOM 1576 C THR A 103 23.122 0.101 87.393 1.00 0.00 C ATOM 1577 O THR A 103 22.118 0.628 87.834 1.00 0.00 O ATOM 1578 CB THR A 103 24.428 -1.290 85.803 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.569 -2.056 86.994 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.702 -0.471 85.570 1.00 0.00 C ATOM 0 H THR A 103 23.120 0.737 84.128 1.00 0.00 H new ATOM 0 HA THR A 103 22.321 -0.881 85.650 1.00 0.00 H new ATOM 0 HB THR A 103 24.270 -1.953 84.952 1.00 0.00 H new ATOM 0 HG1 THR A 103 25.518 -2.236 87.157 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.553 -1.144 85.467 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.594 0.119 84.660 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.866 0.195 86.417 1.00 0.00 H new ATOM 1588 N ALA A 104 24.160 -0.096 88.131 1.00 0.00 N ATOM 1589 CA ALA A 104 24.159 0.296 89.556 1.00 0.00 C ATOM 1590 C ALA A 104 24.843 1.660 89.747 1.00 0.00 C ATOM 1591 O ALA A 104 24.613 2.348 90.726 1.00 0.00 O ATOM 1592 CB ALA A 104 24.907 -0.782 90.345 1.00 0.00 C ATOM 0 H ALA A 104 25.028 -0.520 87.804 1.00 0.00 H new ATOM 0 HA ALA A 104 23.133 0.386 89.913 1.00 0.00 H new ATOM 0 HB1 ALA A 104 24.920 -0.516 91.402 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.404 -1.741 90.219 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.930 -0.858 89.977 1.00 0.00 H new ATOM 1598 N LEU A 105 25.715 2.044 88.847 1.00 0.00 N ATOM 1599 CA LEU A 105 26.453 3.332 89.012 1.00 0.00 C ATOM 1600 C LEU A 105 25.522 4.536 89.180 1.00 0.00 C ATOM 1601 O LEU A 105 25.495 5.165 90.215 1.00 0.00 O ATOM 1602 CB LEU A 105 27.311 3.586 87.783 1.00 0.00 C ATOM 1603 CG LEU A 105 28.178 2.369 87.459 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.153 2.757 86.348 1.00 0.00 C ATOM 1605 CD2 LEU A 105 28.965 1.942 88.705 1.00 0.00 C ATOM 0 H LEU A 105 25.947 1.519 88.004 1.00 0.00 H new ATOM 0 HA LEU A 105 27.054 3.230 89.916 1.00 0.00 H new ATOM 0 HB2 LEU A 105 26.672 3.819 86.931 1.00 0.00 H new ATOM 0 HB3 LEU A 105 27.947 4.455 87.952 1.00 0.00 H new ATOM 0 HG LEU A 105 27.549 1.538 87.139 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.782 1.902 86.101 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.594 3.064 85.464 1.00 0.00 H new ATOM 0 HD13 LEU A 105 29.779 3.583 86.686 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.580 1.074 88.467 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.605 2.762 89.030 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.270 1.685 89.504 1.00 0.00 H new ATOM 1617 N GLU A 106 24.802 4.892 88.150 1.00 0.00 N ATOM 1618 CA GLU A 106 23.921 6.092 88.240 1.00 0.00 C ATOM 1619 C GLU A 106 22.643 5.723 88.993 1.00 0.00 C ATOM 1620 O GLU A 106 21.773 6.544 89.202 1.00 0.00 O ATOM 1621 CB GLU A 106 23.632 6.603 86.806 1.00 0.00 C ATOM 1622 CG GLU A 106 22.136 6.869 86.570 1.00 0.00 C ATOM 1623 CD GLU A 106 21.754 8.244 87.119 1.00 0.00 C ATOM 1624 OE1 GLU A 106 22.350 9.215 86.690 1.00 0.00 O ATOM 1625 OE2 GLU A 106 20.869 8.298 87.957 1.00 0.00 O ATOM 0 H GLU A 106 24.786 4.406 87.253 1.00 0.00 H new ATOM 0 HA GLU A 106 24.406 6.896 88.794 1.00 0.00 H new ATOM 0 HB2 GLU A 106 24.194 7.520 86.630 1.00 0.00 H new ATOM 0 HB3 GLU A 106 23.986 5.868 86.083 1.00 0.00 H new ATOM 0 HG2 GLU A 106 21.914 6.820 85.504 1.00 0.00 H new ATOM 0 HG3 GLU A 106 21.540 6.096 87.056 1.00 0.00 H new ATOM 1632 N ALA A 107 22.528 4.490 89.411 1.00 0.00 N ATOM 1633 CA ALA A 107 21.306 4.069 90.154 1.00 0.00 C ATOM 1634 C ALA A 107 21.309 4.531 91.623 1.00 0.00 C ATOM 1635 O ALA A 107 20.345 5.102 92.082 1.00 0.00 O ATOM 1636 CB ALA A 107 21.198 2.547 90.141 1.00 0.00 C ATOM 0 H ALA A 107 23.225 3.759 89.270 1.00 0.00 H new ATOM 0 HA ALA A 107 20.460 4.537 89.650 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.304 2.241 90.685 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.135 2.196 89.111 1.00 0.00 H new ATOM 0 HB3 ALA A 107 22.078 2.116 90.618 1.00 0.00 H new ATOM 1642 N THR A 108 22.325 4.236 92.401 1.00 0.00 N ATOM 1643 CA THR A 108 22.237 4.625 93.839 1.00 0.00 C ATOM 1644 C THR A 108 23.596 4.742 94.536 1.00 0.00 C ATOM 1645 O THR A 108 24.624 4.986 93.938 1.00 0.00 O ATOM 1646 CB THR A 108 21.468 3.515 94.538 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.247 3.865 95.893 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.302 2.235 94.463 1.00 0.00 C ATOM 0 H THR A 108 23.180 3.760 92.114 1.00 0.00 H new ATOM 0 HA THR A 108 21.765 5.606 93.891 1.00 0.00 H new ATOM 0 HB THR A 108 20.503 3.364 94.055 1.00 0.00 H new ATOM 0 HG1 THR A 108 21.089 4.830 95.960 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.769 1.424 94.959 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.472 1.972 93.419 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.260 2.395 94.958 1.00 0.00 H new ATOM 1656 N ASP A 109 23.561 4.533 95.831 1.00 0.00 N ATOM 1657 CA ASP A 109 24.784 4.575 96.666 1.00 0.00 C ATOM 1658 C ASP A 109 24.636 3.558 97.807 1.00 0.00 C ATOM 1659 O ASP A 109 25.542 3.370 98.592 1.00 0.00 O ATOM 1660 CB ASP A 109 24.989 5.975 97.254 1.00 0.00 C ATOM 1661 CG ASP A 109 26.380 6.055 97.893 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.332 5.651 97.244 1.00 0.00 O ATOM 1663 OD2 ASP A 109 26.469 6.517 99.018 1.00 0.00 O ATOM 0 H ASP A 109 22.706 4.330 96.350 1.00 0.00 H new ATOM 0 HA ASP A 109 25.648 4.330 96.048 1.00 0.00 H new ATOM 0 HB2 ASP A 109 24.891 6.729 96.473 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.221 6.186 97.998 1.00 0.00 H new ATOM 1668 N ASN A 110 23.516 2.872 97.890 1.00 0.00 N ATOM 1669 CA ASN A 110 23.377 1.849 98.968 1.00 0.00 C ATOM 1670 C ASN A 110 24.202 0.652 98.510 1.00 0.00 C ATOM 1671 O ASN A 110 24.230 0.322 97.342 1.00 0.00 O ATOM 1672 CB ASN A 110 21.906 1.463 99.202 1.00 0.00 C ATOM 1673 CG ASN A 110 21.345 0.772 97.969 1.00 0.00 C ATOM 1674 OD1 ASN A 110 21.996 0.861 96.851 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 20.304 0.144 98.026 1.00 0.00 N flip ATOM 0 H ASN A 110 22.712 2.976 97.271 1.00 0.00 H new ATOM 0 HA ASN A 110 23.730 2.234 99.924 1.00 0.00 H new ATOM 0 HB2 ASN A 110 21.828 0.803 100.066 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.320 2.354 99.428 1.00 0.00 H new ATOM 0 HD21 ASN A 110 19.796 0.077 98.908 1.00 0.00 H new ATOM 0 HD22 ASN A 110 19.939 -0.316 97.192 1.00 0.00 H new ATOM 1682 N GLN A 111 24.941 0.062 99.394 1.00 0.00 N ATOM 1683 CA GLN A 111 25.854 -1.047 98.994 1.00 0.00 C ATOM 1684 C GLN A 111 25.118 -2.364 98.651 1.00 0.00 C ATOM 1685 O GLN A 111 25.749 -3.375 98.421 1.00 0.00 O ATOM 1686 CB GLN A 111 26.869 -1.247 100.126 1.00 0.00 C ATOM 1687 CG GLN A 111 27.650 -2.541 99.930 1.00 0.00 C ATOM 1688 CD GLN A 111 28.954 -2.454 100.726 1.00 0.00 C ATOM 1689 OE1 GLN A 111 28.938 -2.161 101.905 1.00 0.00 O ATOM 1690 NE2 GLN A 111 30.090 -2.683 100.128 1.00 0.00 N ATOM 0 H GLN A 111 24.957 0.297 100.386 1.00 0.00 H new ATOM 0 HA GLN A 111 26.357 -0.766 98.068 1.00 0.00 H new ATOM 0 HB2 GLN A 111 27.557 -0.402 100.157 1.00 0.00 H new ATOM 0 HB3 GLN A 111 26.351 -1.271 101.085 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.059 -3.393 100.265 1.00 0.00 H new ATOM 0 HG3 GLN A 111 27.863 -2.697 98.872 1.00 0.00 H new ATOM 0 HE21 GLN A 111 30.105 -2.929 99.138 1.00 0.00 H new ATOM 0 HE22 GLN A 111 30.964 -2.616 100.650 1.00 0.00 H new ATOM 1699 N ALA A 112 23.811 -2.376 98.568 1.00 0.00 N ATOM 1700 CA ALA A 112 23.111 -3.651 98.199 1.00 0.00 C ATOM 1701 C ALA A 112 23.042 -3.738 96.675 1.00 0.00 C ATOM 1702 O ALA A 112 23.361 -4.746 96.057 1.00 0.00 O ATOM 1703 CB ALA A 112 21.696 -3.659 98.780 1.00 0.00 C ATOM 0 H ALA A 112 23.204 -1.574 98.736 1.00 0.00 H new ATOM 0 HA ALA A 112 23.657 -4.504 98.602 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.196 -4.588 98.507 1.00 0.00 H new ATOM 0 HB2 ALA A 112 21.748 -3.580 99.866 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.134 -2.814 98.382 1.00 0.00 H new ATOM 1709 N ILE A 113 22.677 -2.655 96.076 1.00 0.00 N ATOM 1710 CA ILE A 113 22.617 -2.576 94.596 1.00 0.00 C ATOM 1711 C ILE A 113 24.028 -2.754 94.102 1.00 0.00 C ATOM 1712 O ILE A 113 24.318 -3.549 93.227 1.00 0.00 O ATOM 1713 CB ILE A 113 22.167 -1.162 94.222 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.646 -1.082 94.123 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.792 -0.743 92.891 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.038 -0.922 95.523 1.00 0.00 C ATOM 0 H ILE A 113 22.410 -1.797 96.558 1.00 0.00 H new ATOM 0 HA ILE A 113 21.941 -3.320 94.175 1.00 0.00 H new ATOM 0 HB ILE A 113 22.501 -0.483 95.007 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.358 -0.240 93.494 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.256 -1.983 93.649 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.464 0.265 92.636 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.878 -0.760 92.978 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.480 -1.435 92.109 1.00 0.00 H new ATOM 0 HD11 ILE A 113 18.952 -0.866 95.444 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.313 -1.778 96.139 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.416 -0.008 95.982 1.00 0.00 H new ATOM 1728 N LYS A 114 24.903 -1.998 94.675 1.00 0.00 N ATOM 1729 CA LYS A 114 26.314 -2.071 94.290 1.00 0.00 C ATOM 1730 C LYS A 114 26.764 -3.527 94.421 1.00 0.00 C ATOM 1731 O LYS A 114 27.826 -3.904 93.974 1.00 0.00 O ATOM 1732 CB LYS A 114 27.129 -1.131 95.182 1.00 0.00 C ATOM 1733 CG LYS A 114 26.437 0.241 95.224 1.00 0.00 C ATOM 1734 CD LYS A 114 26.610 0.961 93.879 1.00 0.00 C ATOM 1735 CE LYS A 114 26.229 2.439 94.032 1.00 0.00 C ATOM 1736 NZ LYS A 114 26.357 3.133 92.717 1.00 0.00 N ATOM 0 H LYS A 114 24.691 -1.321 95.408 1.00 0.00 H new ATOM 0 HA LYS A 114 26.466 -1.752 93.259 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.211 -1.543 96.188 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.143 -1.030 94.796 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.377 0.116 95.444 1.00 0.00 H new ATOM 0 HG3 LYS A 114 26.860 0.846 96.026 1.00 0.00 H new ATOM 0 HD2 LYS A 114 27.642 0.875 93.539 1.00 0.00 H new ATOM 0 HD3 LYS A 114 25.984 0.491 93.120 1.00 0.00 H new ATOM 0 HE2 LYS A 114 25.207 2.524 94.400 1.00 0.00 H new ATOM 0 HE3 LYS A 114 26.874 2.916 94.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 25.910 4.070 92.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 27.363 3.243 92.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 25.887 2.570 91.980 1.00 0.00 H new ATOM 1750 N ALA A 115 25.938 -4.365 95.002 1.00 0.00 N ATOM 1751 CA ALA A 115 26.310 -5.797 95.097 1.00 0.00 C ATOM 1752 C ALA A 115 26.357 -6.336 93.671 1.00 0.00 C ATOM 1753 O ALA A 115 27.280 -7.033 93.288 1.00 0.00 O ATOM 1754 CB ALA A 115 25.284 -6.585 95.920 1.00 0.00 C ATOM 0 H ALA A 115 25.036 -4.116 95.407 1.00 0.00 H new ATOM 0 HA ALA A 115 27.272 -5.904 95.597 1.00 0.00 H new ATOM 0 HB1 ALA A 115 25.585 -7.631 95.971 1.00 0.00 H new ATOM 0 HB2 ALA A 115 25.232 -6.173 96.928 1.00 0.00 H new ATOM 0 HB3 ALA A 115 24.305 -6.512 95.447 1.00 0.00 H new ATOM 1760 N LEU A 116 25.380 -5.986 92.862 1.00 0.00 N ATOM 1761 CA LEU A 116 25.406 -6.449 91.441 1.00 0.00 C ATOM 1762 C LEU A 116 26.495 -5.675 90.693 1.00 0.00 C ATOM 1763 O LEU A 116 26.865 -6.019 89.586 1.00 0.00 O ATOM 1764 CB LEU A 116 24.061 -6.161 90.751 1.00 0.00 C ATOM 1765 CG LEU A 116 23.111 -7.377 90.770 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.100 -7.229 89.632 1.00 0.00 C ATOM 1767 CD2 LEU A 116 23.866 -8.698 90.567 1.00 0.00 C ATOM 0 H LEU A 116 24.580 -5.409 93.122 1.00 0.00 H new ATOM 0 HA LEU A 116 25.599 -7.522 91.426 1.00 0.00 H new ATOM 0 HB2 LEU A 116 23.577 -5.319 91.245 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.243 -5.863 89.718 1.00 0.00 H new ATOM 0 HG LEU A 116 22.622 -7.403 91.744 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.422 -8.083 89.634 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.528 -6.311 89.770 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.628 -7.188 88.679 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.159 -9.528 90.587 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.378 -8.680 89.605 1.00 0.00 H new ATOM 0 HD23 LEU A 116 24.598 -8.825 91.365 1.00 0.00 H new ATOM 1779 N LEU A 117 27.008 -4.635 91.291 1.00 0.00 N ATOM 1780 CA LEU A 117 28.075 -3.841 90.627 1.00 0.00 C ATOM 1781 C LEU A 117 29.359 -4.648 90.760 1.00 0.00 C ATOM 1782 O LEU A 117 30.431 -4.237 90.374 1.00 0.00 O ATOM 1783 CB LEU A 117 28.194 -2.487 91.336 1.00 0.00 C ATOM 1784 CG LEU A 117 29.362 -1.662 90.789 1.00 0.00 C ATOM 1785 CD1 LEU A 117 29.327 -1.644 89.256 1.00 0.00 C ATOM 1786 CD2 LEU A 117 29.233 -0.231 91.322 1.00 0.00 C ATOM 0 H LEU A 117 26.732 -4.301 92.214 1.00 0.00 H new ATOM 0 HA LEU A 117 27.861 -3.650 89.576 1.00 0.00 H new ATOM 0 HB2 LEU A 117 27.266 -1.929 91.213 1.00 0.00 H new ATOM 0 HB3 LEU A 117 28.331 -2.647 92.405 1.00 0.00 H new ATOM 0 HG LEU A 117 30.306 -2.103 91.109 1.00 0.00 H new ATOM 0 HD11 LEU A 117 30.163 -1.054 88.880 1.00 0.00 H new ATOM 0 HD12 LEU A 117 29.404 -2.664 88.878 1.00 0.00 H new ATOM 0 HD13 LEU A 117 28.390 -1.202 88.919 1.00 0.00 H new ATOM 0 HD21 LEU A 117 30.057 0.374 90.943 1.00 0.00 H new ATOM 0 HD22 LEU A 117 28.287 0.197 90.991 1.00 0.00 H new ATOM 0 HD23 LEU A 117 29.264 -0.244 92.411 1.00 0.00 H new ATOM 1798 N GLN A 118 29.217 -5.826 91.301 1.00 0.00 N ATOM 1799 CA GLN A 118 30.367 -6.740 91.483 1.00 0.00 C ATOM 1800 C GLN A 118 30.821 -7.264 90.118 1.00 0.00 C ATOM 1801 O GLN A 118 29.987 -7.342 89.231 1.00 0.00 O ATOM 1802 CB GLN A 118 29.908 -7.911 92.347 1.00 0.00 C ATOM 1803 CG GLN A 118 29.989 -7.523 93.823 1.00 0.00 C ATOM 1804 CD GLN A 118 29.259 -8.569 94.669 1.00 0.00 C ATOM 1805 OE1 GLN A 118 28.963 -9.650 94.199 1.00 0.00 O ATOM 1806 NE2 GLN A 118 28.953 -8.290 95.907 1.00 0.00 N ATOM 1807 OXT GLN A 118 31.991 -7.579 89.984 1.00 0.00 O ATOM 0 H GLN A 118 28.326 -6.198 91.631 1.00 0.00 H new ATOM 0 HA GLN A 118 31.197 -6.217 91.959 1.00 0.00 H new ATOM 0 HB2 GLN A 118 28.886 -8.187 92.089 1.00 0.00 H new ATOM 0 HB3 GLN A 118 30.532 -8.784 92.155 1.00 0.00 H new ATOM 0 HG2 GLN A 118 31.031 -7.452 94.134 1.00 0.00 H new ATOM 0 HG3 GLN A 118 29.543 -6.540 93.976 1.00 0.00 H new ATOM 0 HE21 GLN A 118 29.201 -7.383 96.302 1.00 0.00 H new ATOM 0 HE22 GLN A 118 28.466 -8.979 96.480 1.00 0.00 H new