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 49:sc= -1.73! USER MOD Set 1.2: A 110 ASN :FLIP amide:sc= -13.4! C(o=-20!,f=-15!) USER MOD Set 2.1: A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 95 THR OG1 : rot 70:sc= 1.09 USER MOD Set 3.1: A 40 HIS : no HE2:sc= 0.331 K(o=1.1,f=-6.2!) USER MOD Set 3.2: A 74 SER OG : rot -16:sc= 0.773 USER MOD Set 4.1: A 37 LYS NZ :NH3+ 157:sc= -1.44 (180deg=-1.28) USER MOD Set 4.2: A 67 HIS : no HE2:sc= -1.68! C(o=-3.1!,f=-5!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 158:sc= -0.266 (180deg=-1.44!) USER MOD Single : A 11 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0916) USER MOD Single : A 12 ASN : amide:sc= -0.0689 K(o=-0.069,f=-0.9) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= -0.054 (180deg=-0.054) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 148:sc= -0.257 (180deg=-1.44!) USER MOD Single : A 29 ASN :FLIP amide:sc= -1.5 F(o=-4.4!,f=-1.5) USER MOD Single : A 31 THR OG1 : rot 63:sc= 1.15 USER MOD Single : A 41 TYR OH : rot 170:sc= -1.51 USER MOD Single : A 45 CYS SG : rot 11:sc= -3.06! USER MOD Single : A 47 GLN :FLIP amide:sc= -4.87! C(o=-10!,f=-4.9!) USER MOD Single : A 57 LYS NZ :NH3+ -134:sc= -0.285 (180deg=-1.75) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.853! C(o=-12!,f=-0.85!) USER MOD Single : A 66 LYS NZ :NH3+ 156:sc= -0.11 (180deg=-0.688) USER MOD Single : A 68 HIS : no HD1:sc= -0.306 X(o=-0.31,f=-0.0031) USER MOD Single : A 70 THR OG1 : rot -162:sc= -11.2! USER MOD Single : A 77 TYR OH : rot 0:sc= -0.0173 USER MOD Single : A 80 HIS : no HD1:sc= -0.793 K(o=-0.79,f=-4.9!) USER MOD Single : A 82 SER OG : rot 150:sc= -0.406 USER MOD Single : A 83 CYS SG : rot 170:sc= -2.8! USER MOD Single : A 85 LYS NZ :NH3+ -161:sc= -0.221 (180deg=-0.862) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -141:sc= -0.463 (180deg=-2.52!) USER MOD Single : A 97 LYS NZ :NH3+ 160:sc= -0.658 (180deg=-1.2) USER MOD Single : A 103 THR OG1 : rot -134:sc= -5.32! USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -161:sc= -0.735 (180deg=-0.873) USER MOD Single : A 118 GLN : amide:sc= -6.08! C(o=-6.1!,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -6.306 -7.315 86.373 1.00 0.00 N ATOM 44 CA LYS A 4 -6.219 -7.268 87.856 1.00 0.00 C ATOM 45 C LYS A 4 -5.814 -8.638 88.410 1.00 0.00 C ATOM 46 O LYS A 4 -4.693 -8.840 88.824 1.00 0.00 O ATOM 47 CB LYS A 4 -7.581 -6.865 88.422 1.00 0.00 C ATOM 48 CG LYS A 4 -8.023 -5.537 87.796 1.00 0.00 C ATOM 49 CD LYS A 4 -9.135 -4.918 88.646 1.00 0.00 C ATOM 50 CE LYS A 4 -9.688 -3.675 87.944 1.00 0.00 C ATOM 51 NZ LYS A 4 -10.694 -3.016 88.825 1.00 0.00 N ATOM 0 HA LYS A 4 -5.464 -6.538 88.149 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.318 -7.641 88.213 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.521 -6.766 89.506 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.176 -4.853 87.732 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.377 -5.702 86.779 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.933 -5.644 88.804 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.748 -4.651 89.629 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.878 -2.982 87.716 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.146 -3.953 86.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.071 -2.171 88.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.471 -3.679 89.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.243 -2.738 89.720 1.00 0.00 H new ATOM 65 N GLU A 5 -6.718 -9.577 88.432 1.00 0.00 N ATOM 66 CA GLU A 5 -6.387 -10.929 88.979 1.00 0.00 C ATOM 67 C GLU A 5 -5.019 -11.397 88.469 1.00 0.00 C ATOM 68 O GLU A 5 -4.236 -11.967 89.203 1.00 0.00 O ATOM 69 CB GLU A 5 -7.463 -11.926 88.542 1.00 0.00 C ATOM 70 CG GLU A 5 -7.341 -13.212 89.363 1.00 0.00 C ATOM 71 CD GLU A 5 -7.954 -12.996 90.748 1.00 0.00 C ATOM 72 OE1 GLU A 5 -9.170 -13.033 90.847 1.00 0.00 O ATOM 73 OE2 GLU A 5 -7.199 -12.798 91.685 1.00 0.00 O ATOM 0 H GLU A 5 -7.675 -9.469 88.095 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.352 -10.871 90.067 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.453 -11.490 88.677 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.355 -12.149 87.481 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.849 -14.031 88.853 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.293 -13.497 89.458 1.00 0.00 H new ATOM 80 N PHE A 6 -4.724 -11.162 87.223 1.00 0.00 N ATOM 81 CA PHE A 6 -3.408 -11.590 86.668 1.00 0.00 C ATOM 82 C PHE A 6 -2.320 -10.706 87.288 1.00 0.00 C ATOM 83 O PHE A 6 -1.504 -11.152 88.070 1.00 0.00 O ATOM 84 CB PHE A 6 -3.442 -11.393 85.145 1.00 0.00 C ATOM 85 CG PHE A 6 -2.470 -12.317 84.436 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.297 -12.768 85.063 1.00 0.00 C ATOM 87 CD2 PHE A 6 -2.756 -12.721 83.125 1.00 0.00 C ATOM 88 CE1 PHE A 6 -0.419 -13.616 84.376 1.00 0.00 C ATOM 89 CE2 PHE A 6 -1.876 -13.567 82.442 1.00 0.00 C ATOM 90 CZ PHE A 6 -0.709 -14.016 83.067 1.00 0.00 C ATOM 0 H PHE A 6 -5.339 -10.690 86.560 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.202 -12.636 86.895 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.452 -11.576 84.777 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.199 -10.358 84.907 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.072 -12.461 86.074 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -3.658 -12.378 82.641 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.484 -13.962 84.858 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -2.098 -13.874 81.431 1.00 0.00 H new ATOM 0 HZ PHE A 6 -0.032 -14.671 82.540 1.00 0.00 H new ATOM 100 N MET A 7 -2.323 -9.451 86.942 1.00 0.00 N ATOM 101 CA MET A 7 -1.318 -8.492 87.486 1.00 0.00 C ATOM 102 C MET A 7 -1.329 -8.512 89.021 1.00 0.00 C ATOM 103 O MET A 7 -0.303 -8.617 89.661 1.00 0.00 O ATOM 104 CB MET A 7 -1.700 -7.090 87.008 1.00 0.00 C ATOM 105 CG MET A 7 -0.870 -6.033 87.735 1.00 0.00 C ATOM 106 SD MET A 7 -0.945 -4.474 86.815 1.00 0.00 S ATOM 107 CE MET A 7 -2.728 -4.463 86.498 1.00 0.00 C ATOM 0 H MET A 7 -2.992 -9.039 86.292 1.00 0.00 H new ATOM 0 HA MET A 7 -0.322 -8.771 87.141 1.00 0.00 H new ATOM 0 HB2 MET A 7 -1.541 -7.010 85.933 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.761 -6.915 87.187 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.249 -5.890 88.747 1.00 0.00 H new ATOM 0 HG3 MET A 7 0.164 -6.365 87.826 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.056 -3.443 86.298 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.948 -5.091 85.635 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.255 -4.849 87.371 1.00 0.00 H new ATOM 117 N TRP A 8 -2.488 -8.382 89.604 1.00 0.00 N ATOM 118 CA TRP A 8 -2.606 -8.356 91.092 1.00 0.00 C ATOM 119 C TRP A 8 -1.841 -9.516 91.736 1.00 0.00 C ATOM 120 O TRP A 8 -1.571 -9.503 92.923 1.00 0.00 O ATOM 121 CB TRP A 8 -4.083 -8.454 91.464 1.00 0.00 C ATOM 122 CG TRP A 8 -4.263 -8.131 92.908 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.058 -8.993 93.929 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.685 -6.875 93.509 1.00 0.00 C ATOM 125 NE1 TRP A 8 -4.329 -8.346 95.120 1.00 0.00 N ATOM 126 CE2 TRP A 8 -4.722 -7.038 94.913 1.00 0.00 C ATOM 127 CE3 TRP A 8 -5.041 -5.623 92.976 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -5.094 -5.993 95.760 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -5.415 -4.569 93.825 1.00 0.00 C ATOM 130 CH2 TRP A 8 -5.444 -4.755 95.214 1.00 0.00 C ATOM 0 H TRP A 8 -3.373 -8.291 89.106 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.174 -7.425 91.461 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.668 -7.767 90.853 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.453 -9.458 91.258 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -3.735 -10.019 93.830 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.249 -8.781 96.039 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -5.027 -5.471 91.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -5.111 -6.140 96.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -5.682 -3.610 93.406 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -5.737 -3.942 95.862 1.00 0.00 H new ATOM 141 N ALA A 9 -1.496 -10.522 90.985 1.00 0.00 N ATOM 142 CA ALA A 9 -0.762 -11.668 91.584 1.00 0.00 C ATOM 143 C ALA A 9 0.741 -11.377 91.596 1.00 0.00 C ATOM 144 O ALA A 9 1.399 -11.528 92.606 1.00 0.00 O ATOM 145 CB ALA A 9 -1.040 -12.942 90.785 1.00 0.00 C ATOM 0 H ALA A 9 -1.689 -10.600 89.987 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.104 -11.811 92.609 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.498 -13.776 91.231 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.109 -13.154 90.799 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.711 -12.805 89.755 1.00 0.00 H new ATOM 151 N LEU A 10 1.290 -10.949 90.490 1.00 0.00 N ATOM 152 CA LEU A 10 2.745 -10.633 90.459 1.00 0.00 C ATOM 153 C LEU A 10 3.025 -9.567 91.519 1.00 0.00 C ATOM 154 O LEU A 10 4.155 -9.242 91.824 1.00 0.00 O ATOM 155 CB LEU A 10 3.113 -10.057 89.085 1.00 0.00 C ATOM 156 CG LEU A 10 2.821 -11.080 87.975 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.607 -10.626 87.158 1.00 0.00 C ATOM 158 CD2 LEU A 10 4.034 -11.192 87.052 1.00 0.00 C ATOM 0 H LEU A 10 0.794 -10.805 89.610 1.00 0.00 H new ATOM 0 HA LEU A 10 3.326 -11.535 90.649 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.546 -9.144 88.904 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.169 -9.786 89.069 1.00 0.00 H new ATOM 0 HG LEU A 10 2.612 -12.049 88.428 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.404 -11.354 86.373 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.738 -10.545 87.811 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.814 -9.655 86.708 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.827 -11.917 86.265 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.241 -10.220 86.604 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.900 -11.519 87.627 1.00 0.00 H new ATOM 170 N LYS A 11 1.975 -8.995 92.036 1.00 0.00 N ATOM 171 CA LYS A 11 2.096 -7.896 93.038 1.00 0.00 C ATOM 172 C LYS A 11 2.104 -8.406 94.485 1.00 0.00 C ATOM 173 O LYS A 11 3.095 -8.316 95.183 1.00 0.00 O ATOM 174 CB LYS A 11 0.888 -6.987 92.850 1.00 0.00 C ATOM 175 CG LYS A 11 0.834 -5.943 93.959 1.00 0.00 C ATOM 176 CD LYS A 11 -0.133 -4.842 93.534 1.00 0.00 C ATOM 177 CE LYS A 11 -0.512 -4.002 94.746 1.00 0.00 C ATOM 178 NZ LYS A 11 0.694 -3.287 95.243 1.00 0.00 N ATOM 0 H LYS A 11 1.015 -9.248 91.802 1.00 0.00 H new ATOM 0 HA LYS A 11 3.043 -7.381 92.876 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.943 -6.494 91.879 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.026 -7.580 92.855 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.504 -6.398 94.893 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.826 -5.529 94.139 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.328 -4.213 92.772 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.026 -5.280 93.088 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.289 -3.286 94.478 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.921 -4.638 95.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.407 -2.552 95.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.329 -3.963 95.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.190 -2.845 94.443 1.00 0.00 H new ATOM 192 N ASN A 12 0.985 -8.883 94.954 1.00 0.00 N ATOM 193 CA ASN A 12 0.888 -9.331 96.373 1.00 0.00 C ATOM 194 C ASN A 12 1.536 -10.702 96.561 1.00 0.00 C ATOM 195 O ASN A 12 1.257 -11.403 97.512 1.00 0.00 O ATOM 196 CB ASN A 12 -0.596 -9.410 96.747 1.00 0.00 C ATOM 197 CG ASN A 12 -0.970 -8.220 97.633 1.00 0.00 C ATOM 198 OD1 ASN A 12 -0.405 -7.153 97.505 1.00 0.00 O ATOM 199 ND2 ASN A 12 -1.903 -8.361 98.533 1.00 0.00 N ATOM 0 H ASN A 12 0.127 -8.983 94.412 1.00 0.00 H new ATOM 0 HA ASN A 12 1.413 -8.621 97.013 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.208 -9.411 95.845 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.799 -10.344 97.271 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.159 -7.575 99.130 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.377 -9.258 98.640 1.00 0.00 H new ATOM 206 N GLY A 13 2.417 -11.078 95.687 1.00 0.00 N ATOM 207 CA GLY A 13 3.100 -12.383 95.840 1.00 0.00 C ATOM 208 C GLY A 13 2.114 -13.538 95.700 1.00 0.00 C ATOM 209 O GLY A 13 2.397 -14.644 96.114 1.00 0.00 O ATOM 0 H GLY A 13 2.695 -10.535 94.869 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.884 -12.477 95.089 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.585 -12.431 96.815 1.00 0.00 H new ATOM 213 N ASP A 14 0.973 -13.320 95.108 1.00 0.00 N ATOM 214 CA ASP A 14 0.029 -14.450 94.937 1.00 0.00 C ATOM 215 C ASP A 14 0.647 -15.397 93.923 1.00 0.00 C ATOM 216 O ASP A 14 0.060 -15.756 92.921 1.00 0.00 O ATOM 217 CB ASP A 14 -1.322 -13.955 94.444 1.00 0.00 C ATOM 218 CG ASP A 14 -1.625 -12.587 95.060 1.00 0.00 C ATOM 219 OD1 ASP A 14 -0.807 -11.695 94.909 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.670 -12.456 95.677 1.00 0.00 O ATOM 0 H ASP A 14 0.660 -12.421 94.741 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.140 -14.954 95.889 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.319 -13.882 93.356 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.102 -14.667 94.714 1.00 0.00 H new ATOM 225 N LEU A 15 1.853 -15.769 94.199 1.00 0.00 N ATOM 226 CA LEU A 15 2.622 -16.670 93.317 1.00 0.00 C ATOM 227 C LEU A 15 1.747 -17.862 92.916 1.00 0.00 C ATOM 228 O LEU A 15 1.855 -18.404 91.836 1.00 0.00 O ATOM 229 CB LEU A 15 3.852 -17.122 94.118 1.00 0.00 C ATOM 230 CG LEU A 15 4.796 -18.008 93.292 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.288 -19.452 93.280 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.912 -17.485 91.854 1.00 0.00 C ATOM 0 H LEU A 15 2.358 -15.473 95.034 1.00 0.00 H new ATOM 0 HA LEU A 15 2.934 -16.174 92.398 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.396 -16.245 94.469 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.525 -17.669 95.002 1.00 0.00 H new ATOM 0 HG LEU A 15 5.783 -17.979 93.753 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.965 -20.071 92.691 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.245 -19.831 94.301 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.292 -19.484 92.839 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.585 -18.127 91.286 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.928 -17.487 91.386 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.305 -16.469 91.867 1.00 0.00 H new ATOM 244 N ASP A 16 0.873 -18.263 93.784 1.00 0.00 N ATOM 245 CA ASP A 16 -0.023 -19.403 93.483 1.00 0.00 C ATOM 246 C ASP A 16 -0.961 -19.046 92.323 1.00 0.00 C ATOM 247 O ASP A 16 -1.368 -19.900 91.557 1.00 0.00 O ATOM 248 CB ASP A 16 -0.845 -19.707 94.731 1.00 0.00 C ATOM 249 CG ASP A 16 0.077 -20.252 95.825 1.00 0.00 C ATOM 250 OD1 ASP A 16 0.572 -21.355 95.659 1.00 0.00 O ATOM 251 OD2 ASP A 16 0.276 -19.556 96.806 1.00 0.00 O ATOM 0 H ASP A 16 0.739 -17.843 94.704 1.00 0.00 H new ATOM 0 HA ASP A 16 0.568 -20.273 93.196 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.346 -18.804 95.079 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.623 -20.435 94.500 1.00 0.00 H new ATOM 256 N GLU A 17 -1.322 -17.795 92.193 1.00 0.00 N ATOM 257 CA GLU A 17 -2.250 -17.395 91.090 1.00 0.00 C ATOM 258 C GLU A 17 -1.494 -17.306 89.757 1.00 0.00 C ATOM 259 O GLU A 17 -1.978 -17.755 88.741 1.00 0.00 O ATOM 260 CB GLU A 17 -2.887 -16.041 91.414 1.00 0.00 C ATOM 261 CG GLU A 17 -3.927 -16.217 92.527 1.00 0.00 C ATOM 262 CD GLU A 17 -4.705 -14.912 92.713 1.00 0.00 C ATOM 263 OE1 GLU A 17 -5.519 -14.603 91.858 1.00 0.00 O ATOM 264 OE2 GLU A 17 -4.476 -14.245 93.708 1.00 0.00 O ATOM 0 H GLU A 17 -1.016 -17.035 92.800 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.030 -18.151 91.000 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.120 -15.332 91.727 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.359 -15.627 90.523 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.611 -17.027 92.275 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.434 -16.494 93.459 1.00 0.00 H new ATOM 271 N VAL A 18 -0.311 -16.747 89.743 1.00 0.00 N ATOM 272 CA VAL A 18 0.445 -16.666 88.450 1.00 0.00 C ATOM 273 C VAL A 18 0.819 -18.084 88.034 1.00 0.00 C ATOM 274 O VAL A 18 0.757 -18.449 86.878 1.00 0.00 O ATOM 275 CB VAL A 18 1.749 -15.860 88.627 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.651 -14.508 87.921 1.00 0.00 C ATOM 277 CG2 VAL A 18 2.033 -15.645 90.112 1.00 0.00 C ATOM 0 H VAL A 18 0.161 -16.348 90.555 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.178 -16.175 87.702 1.00 0.00 H new ATOM 0 HB VAL A 18 2.565 -16.428 88.180 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.581 -13.957 88.059 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.477 -14.665 86.857 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.825 -13.936 88.343 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.955 -15.075 90.227 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.208 -15.095 90.564 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.139 -16.611 90.606 1.00 0.00 H new ATOM 287 N LYS A 19 1.215 -18.876 88.988 1.00 0.00 N ATOM 288 CA LYS A 19 1.610 -20.280 88.705 1.00 0.00 C ATOM 289 C LYS A 19 0.510 -20.975 87.901 1.00 0.00 C ATOM 290 O LYS A 19 0.774 -21.818 87.067 1.00 0.00 O ATOM 291 CB LYS A 19 1.825 -20.996 90.043 1.00 0.00 C ATOM 292 CG LYS A 19 2.500 -22.352 89.825 1.00 0.00 C ATOM 293 CD LYS A 19 3.083 -22.853 91.157 1.00 0.00 C ATOM 294 CE LYS A 19 4.519 -22.348 91.319 1.00 0.00 C ATOM 295 NZ LYS A 19 5.025 -22.718 92.670 1.00 0.00 N ATOM 0 H LYS A 19 1.282 -18.604 89.969 1.00 0.00 H new ATOM 0 HA LYS A 19 2.529 -20.306 88.120 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.440 -20.378 90.698 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.868 -21.137 90.545 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.779 -23.072 89.438 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.291 -22.261 89.080 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.469 -22.503 91.987 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.066 -23.943 91.185 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.157 -22.781 90.549 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.552 -21.266 91.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.001 -22.375 92.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.421 -22.285 93.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.007 -23.752 92.776 1.00 0.00 H new ATOM 309 N ASP A 20 -0.721 -20.628 88.146 1.00 0.00 N ATOM 310 CA ASP A 20 -1.848 -21.262 87.402 1.00 0.00 C ATOM 311 C ASP A 20 -1.864 -20.781 85.944 1.00 0.00 C ATOM 312 O ASP A 20 -2.038 -21.555 85.022 1.00 0.00 O ATOM 313 CB ASP A 20 -3.174 -20.886 88.068 1.00 0.00 C ATOM 314 CG ASP A 20 -4.282 -21.805 87.548 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.494 -22.846 88.149 1.00 0.00 O ATOM 316 OD2 ASP A 20 -4.899 -21.452 86.556 1.00 0.00 O ATOM 0 H ASP A 20 -0.999 -19.928 88.834 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.715 -22.344 87.419 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.089 -20.977 89.151 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.419 -19.846 87.854 1.00 0.00 H new ATOM 321 N TYR A 21 -1.701 -19.503 85.733 1.00 0.00 N ATOM 322 CA TYR A 21 -1.728 -18.956 84.343 1.00 0.00 C ATOM 323 C TYR A 21 -0.680 -19.655 83.470 1.00 0.00 C ATOM 324 O TYR A 21 -1.003 -20.242 82.457 1.00 0.00 O ATOM 325 CB TYR A 21 -1.423 -17.453 84.384 1.00 0.00 C ATOM 326 CG TYR A 21 -2.696 -16.669 84.620 1.00 0.00 C ATOM 327 CD1 TYR A 21 -3.493 -16.285 83.534 1.00 0.00 C ATOM 328 CD2 TYR A 21 -3.073 -16.322 85.922 1.00 0.00 C ATOM 329 CE1 TYR A 21 -4.667 -15.554 83.752 1.00 0.00 C ATOM 330 CE2 TYR A 21 -4.247 -15.590 86.140 1.00 0.00 C ATOM 331 CZ TYR A 21 -5.045 -15.207 85.054 1.00 0.00 C ATOM 332 OH TYR A 21 -6.200 -14.484 85.269 1.00 0.00 O ATOM 0 H TYR A 21 -1.550 -18.810 86.466 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.717 -19.129 83.918 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.705 -17.242 85.176 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.964 -17.142 83.446 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.202 -16.553 82.529 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.459 -16.619 86.759 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.281 -15.258 82.915 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.537 -15.321 87.145 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.315 -14.329 86.230 1.00 0.00 H new ATOM 342 N VAL A 22 0.573 -19.582 83.837 1.00 0.00 N ATOM 343 CA VAL A 22 1.624 -20.229 83.002 1.00 0.00 C ATOM 344 C VAL A 22 1.428 -21.746 82.999 1.00 0.00 C ATOM 345 O VAL A 22 1.925 -22.438 82.131 1.00 0.00 O ATOM 346 CB VAL A 22 3.014 -19.876 83.539 1.00 0.00 C ATOM 347 CG1 VAL A 22 3.172 -20.393 84.968 1.00 0.00 C ATOM 348 CG2 VAL A 22 4.079 -20.515 82.643 1.00 0.00 C ATOM 0 H VAL A 22 0.911 -19.105 84.673 1.00 0.00 H new ATOM 0 HA VAL A 22 1.540 -19.861 81.979 1.00 0.00 H new ATOM 0 HB VAL A 22 3.134 -18.793 83.539 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.164 -20.137 85.340 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.416 -19.936 85.606 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.049 -21.476 84.979 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.070 -20.266 83.022 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.952 -21.598 82.642 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.974 -20.137 81.626 1.00 0.00 H new ATOM 358 N ALA A 23 0.693 -22.277 83.940 1.00 0.00 N ATOM 359 CA ALA A 23 0.469 -23.745 83.941 1.00 0.00 C ATOM 360 C ALA A 23 -0.167 -24.113 82.605 1.00 0.00 C ATOM 361 O ALA A 23 -0.016 -25.209 82.106 1.00 0.00 O ATOM 362 CB ALA A 23 -0.480 -24.137 85.077 1.00 0.00 C ATOM 0 H ALA A 23 0.245 -21.762 84.698 1.00 0.00 H new ATOM 0 HA ALA A 23 1.414 -24.269 84.085 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.635 -25.216 85.066 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.045 -23.843 86.032 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.436 -23.632 84.943 1.00 0.00 H new ATOM 368 N LYS A 24 -0.861 -23.180 82.015 1.00 0.00 N ATOM 369 CA LYS A 24 -1.500 -23.438 80.698 1.00 0.00 C ATOM 370 C LYS A 24 -0.428 -23.901 79.710 1.00 0.00 C ATOM 371 O LYS A 24 -0.266 -25.081 79.461 1.00 0.00 O ATOM 372 CB LYS A 24 -2.134 -22.140 80.184 1.00 0.00 C ATOM 373 CG LYS A 24 -3.489 -21.909 80.861 1.00 0.00 C ATOM 374 CD LYS A 24 -4.545 -22.855 80.261 1.00 0.00 C ATOM 375 CE LYS A 24 -5.196 -23.672 81.379 1.00 0.00 C ATOM 376 NZ LYS A 24 -5.639 -22.761 82.475 1.00 0.00 N ATOM 0 H LYS A 24 -1.013 -22.245 82.392 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.267 -24.205 80.800 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.471 -21.298 80.385 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.264 -22.193 79.103 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.403 -22.081 81.934 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.799 -20.873 80.728 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.303 -22.280 79.729 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.080 -23.521 79.534 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.048 -24.227 80.988 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.488 -24.405 81.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.492 -23.149 82.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.882 -22.675 83.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.853 -21.822 82.081 1.00 0.00 H new ATOM 390 N GLY A 25 0.309 -22.983 79.149 1.00 0.00 N ATOM 391 CA GLY A 25 1.372 -23.368 78.185 1.00 0.00 C ATOM 392 C GLY A 25 2.335 -22.201 77.976 1.00 0.00 C ATOM 393 O GLY A 25 2.084 -21.311 77.191 1.00 0.00 O ATOM 0 H GLY A 25 0.219 -21.981 79.318 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.915 -24.236 78.558 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.925 -23.656 77.234 1.00 0.00 H new ATOM 397 N GLU A 26 3.443 -22.225 78.669 1.00 0.00 N ATOM 398 CA GLU A 26 4.476 -21.152 78.537 1.00 0.00 C ATOM 399 C GLU A 26 3.846 -19.807 78.155 1.00 0.00 C ATOM 400 O GLU A 26 3.544 -19.549 77.006 1.00 0.00 O ATOM 401 CB GLU A 26 5.516 -21.562 77.496 1.00 0.00 C ATOM 402 CG GLU A 26 4.832 -22.266 76.330 1.00 0.00 C ATOM 403 CD GLU A 26 4.414 -23.676 76.747 1.00 0.00 C ATOM 404 OE1 GLU A 26 5.082 -24.242 77.596 1.00 0.00 O ATOM 405 OE2 GLU A 26 3.430 -24.163 76.216 1.00 0.00 O ATOM 0 H GLU A 26 3.681 -22.959 79.336 1.00 0.00 H new ATOM 0 HA GLU A 26 4.960 -21.027 79.506 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.051 -20.683 77.138 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.255 -22.223 77.948 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.958 -21.697 76.012 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.508 -22.315 75.476 1.00 0.00 H new ATOM 412 N ASP A 27 3.670 -18.944 79.113 1.00 0.00 N ATOM 413 CA ASP A 27 3.087 -17.601 78.837 1.00 0.00 C ATOM 414 C ASP A 27 3.760 -16.597 79.768 1.00 0.00 C ATOM 415 O ASP A 27 3.116 -15.779 80.393 1.00 0.00 O ATOM 416 CB ASP A 27 1.582 -17.627 79.114 1.00 0.00 C ATOM 417 CG ASP A 27 0.878 -18.433 78.022 1.00 0.00 C ATOM 418 OD1 ASP A 27 1.187 -18.217 76.862 1.00 0.00 O ATOM 419 OD2 ASP A 27 0.042 -19.253 78.364 1.00 0.00 O ATOM 0 H ASP A 27 3.908 -19.113 80.090 1.00 0.00 H new ATOM 0 HA ASP A 27 3.248 -17.323 77.795 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.389 -18.071 80.091 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.189 -16.611 79.142 1.00 0.00 H new ATOM 424 N VAL A 28 5.059 -16.676 79.886 1.00 0.00 N ATOM 425 CA VAL A 28 5.790 -15.756 80.801 1.00 0.00 C ATOM 426 C VAL A 28 6.402 -14.586 80.020 1.00 0.00 C ATOM 427 O VAL A 28 7.604 -14.413 79.962 1.00 0.00 O ATOM 428 CB VAL A 28 6.874 -16.557 81.517 1.00 0.00 C ATOM 429 CG1 VAL A 28 6.199 -17.625 82.384 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.788 -17.244 80.492 1.00 0.00 C ATOM 0 H VAL A 28 5.647 -17.342 79.385 1.00 0.00 H new ATOM 0 HA VAL A 28 5.100 -15.332 81.531 1.00 0.00 H new ATOM 0 HB VAL A 28 7.474 -15.888 82.134 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.961 -18.207 82.903 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.550 -17.143 83.115 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.606 -18.286 81.752 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.558 -17.813 81.014 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.197 -17.918 79.872 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.259 -16.490 79.862 1.00 0.00 H new ATOM 440 N ASN A 29 5.568 -13.778 79.433 1.00 0.00 N ATOM 441 CA ASN A 29 6.050 -12.607 78.661 1.00 0.00 C ATOM 442 C ASN A 29 4.829 -11.867 78.121 1.00 0.00 C ATOM 443 O ASN A 29 4.816 -11.396 77.003 1.00 0.00 O ATOM 444 CB ASN A 29 6.922 -13.085 77.501 1.00 0.00 C ATOM 445 CG ASN A 29 6.320 -14.351 76.899 1.00 0.00 C ATOM 446 OD1 ASN A 29 6.538 -15.501 77.473 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 5.642 -14.295 75.892 1.00 0.00 N flip ATOM 0 H ASN A 29 4.554 -13.883 79.457 1.00 0.00 H new ATOM 0 HA ASN A 29 6.642 -11.947 79.294 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.993 -12.307 76.741 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.935 -13.282 77.851 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.471 -13.396 75.442 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.244 -15.147 75.497 1.00 0.00 H new ATOM 454 N ARG A 30 3.787 -11.790 78.909 1.00 0.00 N ATOM 455 CA ARG A 30 2.539 -11.116 78.452 1.00 0.00 C ATOM 456 C ARG A 30 2.344 -9.783 79.174 1.00 0.00 C ATOM 457 O ARG A 30 2.358 -9.708 80.386 1.00 0.00 O ATOM 458 CB ARG A 30 1.347 -12.020 78.756 1.00 0.00 C ATOM 459 CG ARG A 30 1.544 -13.370 78.065 1.00 0.00 C ATOM 460 CD ARG A 30 0.215 -14.123 78.043 1.00 0.00 C ATOM 461 NE ARG A 30 -0.773 -13.352 77.239 1.00 0.00 N ATOM 462 CZ ARG A 30 -1.893 -13.909 76.869 1.00 0.00 C ATOM 463 NH1 ARG A 30 -2.163 -15.133 77.234 1.00 0.00 N ATOM 464 NH2 ARG A 30 -2.745 -13.241 76.141 1.00 0.00 N ATOM 0 H ARG A 30 3.749 -12.168 79.855 1.00 0.00 H new ATOM 0 HA ARG A 30 2.617 -10.927 77.381 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.249 -12.161 79.832 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.425 -11.553 78.410 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.908 -13.222 77.048 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.298 -13.955 78.592 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.353 -15.116 77.616 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.155 -14.262 79.059 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.574 -12.387 76.977 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.499 -15.652 77.808 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.038 -15.570 76.945 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.535 -12.283 75.861 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.621 -13.677 75.852 1.00 0.00 H new ATOM 478 N THR A 31 2.135 -8.736 78.432 1.00 0.00 N ATOM 479 CA THR A 31 1.901 -7.405 79.054 1.00 0.00 C ATOM 480 C THR A 31 0.650 -7.476 79.932 1.00 0.00 C ATOM 481 O THR A 31 -0.446 -7.285 79.446 1.00 0.00 O ATOM 482 CB THR A 31 1.650 -6.374 77.946 1.00 0.00 C ATOM 483 OG1 THR A 31 0.424 -6.677 77.294 1.00 0.00 O ATOM 484 CG2 THR A 31 2.787 -6.398 76.920 1.00 0.00 C ATOM 0 H THR A 31 2.116 -8.744 77.412 1.00 0.00 H new ATOM 0 HA THR A 31 2.768 -7.122 79.650 1.00 0.00 H new ATOM 0 HB THR A 31 1.602 -5.381 78.394 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.314 -6.601 77.934 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.591 -5.660 76.142 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.729 -6.162 77.415 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.852 -7.389 76.472 1.00 0.00 H new ATOM 492 N LEU A 32 0.765 -7.737 81.211 1.00 0.00 N ATOM 493 CA LEU A 32 -0.490 -7.785 82.011 1.00 0.00 C ATOM 494 C LEU A 32 -1.142 -6.405 81.935 1.00 0.00 C ATOM 495 O LEU A 32 -2.346 -6.263 82.030 1.00 0.00 O ATOM 496 CB LEU A 32 -0.265 -8.248 83.476 1.00 0.00 C ATOM 497 CG LEU A 32 0.840 -7.474 84.232 1.00 0.00 C ATOM 498 CD1 LEU A 32 2.218 -7.719 83.607 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.542 -5.970 84.266 1.00 0.00 C ATOM 0 H LEU A 32 1.634 -7.911 81.715 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.154 -8.539 81.589 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.202 -8.146 84.024 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.011 -9.308 83.474 1.00 0.00 H new ATOM 0 HG LEU A 32 0.852 -7.849 85.255 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.973 -7.161 84.161 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.451 -8.783 83.646 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.211 -7.387 82.569 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.337 -5.454 84.804 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.486 -5.587 83.247 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.409 -5.799 84.771 1.00 0.00 H new ATOM 511 N GLU A 33 -0.353 -5.390 81.704 1.00 0.00 N ATOM 512 CA GLU A 33 -0.908 -4.018 81.555 1.00 0.00 C ATOM 513 C GLU A 33 -1.348 -3.829 80.098 1.00 0.00 C ATOM 514 O GLU A 33 -2.522 -3.729 79.796 1.00 0.00 O ATOM 515 CB GLU A 33 0.173 -2.992 81.902 1.00 0.00 C ATOM 516 CG GLU A 33 -0.431 -1.585 81.914 1.00 0.00 C ATOM 517 CD GLU A 33 -0.588 -1.082 80.478 1.00 0.00 C ATOM 518 OE1 GLU A 33 0.423 -0.785 79.861 1.00 0.00 O ATOM 519 OE2 GLU A 33 -1.715 -1.001 80.018 1.00 0.00 O ATOM 0 H GLU A 33 0.661 -5.456 81.612 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.758 -3.880 82.223 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.605 -3.221 82.876 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.983 -3.044 81.175 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.400 -1.598 82.413 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.210 -0.908 82.479 1.00 0.00 H new ATOM 526 N GLY A 34 -0.402 -3.790 79.193 1.00 0.00 N ATOM 527 CA GLY A 34 -0.738 -3.617 77.750 1.00 0.00 C ATOM 528 C GLY A 34 0.553 -3.445 76.949 1.00 0.00 C ATOM 529 O GLY A 34 0.586 -3.624 75.747 1.00 0.00 O ATOM 0 H GLY A 34 0.594 -3.871 79.395 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.292 -4.483 77.387 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.382 -2.747 77.616 1.00 0.00 H new ATOM 533 N GLY A 35 1.617 -3.107 77.616 1.00 0.00 N ATOM 534 CA GLY A 35 2.927 -2.924 76.927 1.00 0.00 C ATOM 535 C GLY A 35 4.042 -3.134 77.948 1.00 0.00 C ATOM 536 O GLY A 35 5.087 -2.514 77.885 1.00 0.00 O ATOM 0 H GLY A 35 1.638 -2.947 78.623 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.026 -3.634 76.106 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.992 -1.926 76.495 1.00 0.00 H new ATOM 540 N ARG A 36 3.815 -3.999 78.902 1.00 0.00 N ATOM 541 CA ARG A 36 4.837 -4.262 79.956 1.00 0.00 C ATOM 542 C ARG A 36 5.195 -5.757 79.968 1.00 0.00 C ATOM 543 O ARG A 36 4.897 -6.487 79.045 1.00 0.00 O ATOM 544 CB ARG A 36 4.259 -3.862 81.322 1.00 0.00 C ATOM 545 CG ARG A 36 3.670 -2.440 81.261 1.00 0.00 C ATOM 546 CD ARG A 36 4.787 -1.411 81.419 1.00 0.00 C ATOM 547 NE ARG A 36 5.258 -1.389 82.844 1.00 0.00 N ATOM 548 CZ ARG A 36 4.452 -1.091 83.827 1.00 0.00 C ATOM 549 NH1 ARG A 36 3.248 -0.646 83.589 1.00 0.00 N ATOM 550 NH2 ARG A 36 4.869 -1.200 85.061 1.00 0.00 N ATOM 0 H ARG A 36 2.955 -4.540 78.996 1.00 0.00 H new ATOM 0 HA ARG A 36 5.736 -3.681 79.750 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.485 -4.570 81.618 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.040 -3.907 82.081 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.156 -2.290 80.312 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.928 -2.309 82.049 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.616 -1.656 80.756 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.428 -0.423 81.129 1.00 0.00 H new ATOM 0 HE ARG A 36 6.232 -1.612 83.050 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.929 -0.528 82.627 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.627 -0.416 84.365 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.820 -1.516 85.252 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.244 -0.969 85.833 1.00 0.00 H new ATOM 564 N LYS A 37 5.838 -6.208 81.013 1.00 0.00 N ATOM 565 CA LYS A 37 6.232 -7.648 81.121 1.00 0.00 C ATOM 566 C LYS A 37 5.960 -8.122 82.564 1.00 0.00 C ATOM 567 O LYS A 37 5.972 -7.317 83.472 1.00 0.00 O ATOM 568 CB LYS A 37 7.725 -7.785 80.789 1.00 0.00 C ATOM 569 CG LYS A 37 8.577 -7.168 81.908 1.00 0.00 C ATOM 570 CD LYS A 37 8.162 -5.710 82.145 1.00 0.00 C ATOM 571 CE LYS A 37 9.287 -4.962 82.857 1.00 0.00 C ATOM 572 NZ LYS A 37 8.901 -3.529 83.021 1.00 0.00 N ATOM 0 H LYS A 37 6.112 -5.632 81.809 1.00 0.00 H new ATOM 0 HA LYS A 37 5.658 -8.258 80.424 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.982 -8.837 80.664 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.941 -7.290 79.842 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.456 -7.742 82.826 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.632 -7.215 81.640 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.937 -5.227 81.194 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.252 -5.674 82.744 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.479 -5.412 83.831 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.210 -5.038 82.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.438 -3.113 83.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.113 -3.010 82.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.883 -3.465 83.224 1.00 0.00 H new ATOM 586 N PRO A 38 5.704 -9.398 82.755 1.00 0.00 N ATOM 587 CA PRO A 38 5.419 -9.932 84.106 1.00 0.00 C ATOM 588 C PRO A 38 6.689 -9.970 84.984 1.00 0.00 C ATOM 589 O PRO A 38 6.936 -10.945 85.670 1.00 0.00 O ATOM 590 CB PRO A 38 4.906 -11.362 83.843 1.00 0.00 C ATOM 591 CG PRO A 38 5.288 -11.722 82.385 1.00 0.00 C ATOM 592 CD PRO A 38 5.667 -10.408 81.674 1.00 0.00 C ATOM 0 HA PRO A 38 4.704 -9.312 84.646 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.354 -12.067 84.544 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.826 -11.416 83.983 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.123 -12.423 82.368 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.454 -12.207 81.878 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.633 -10.491 81.175 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.935 -10.145 80.910 1.00 0.00 H new ATOM 600 N LEU A 39 7.499 -8.930 84.973 1.00 0.00 N ATOM 601 CA LEU A 39 8.748 -8.937 85.809 1.00 0.00 C ATOM 602 C LEU A 39 8.828 -7.663 86.676 1.00 0.00 C ATOM 603 O LEU A 39 9.347 -7.683 87.773 1.00 0.00 O ATOM 604 CB LEU A 39 9.976 -8.975 84.872 1.00 0.00 C ATOM 605 CG LEU A 39 11.189 -9.771 85.453 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.972 -10.256 86.896 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.464 -10.985 84.562 1.00 0.00 C ATOM 0 H LEU A 39 7.350 -8.083 84.425 1.00 0.00 H new ATOM 0 HA LEU A 39 8.731 -9.811 86.461 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.682 -9.421 83.922 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.292 -7.953 84.661 1.00 0.00 H new ATOM 0 HG LEU A 39 12.035 -9.084 85.471 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.854 -10.800 87.233 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.804 -9.398 87.547 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.104 -10.914 86.932 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.309 -11.545 84.961 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.583 -11.626 84.538 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.696 -10.649 83.551 1.00 0.00 H new ATOM 619 N HIS A 40 8.336 -6.549 86.192 1.00 0.00 N ATOM 620 CA HIS A 40 8.424 -5.286 87.000 1.00 0.00 C ATOM 621 C HIS A 40 7.510 -5.407 88.213 1.00 0.00 C ATOM 622 O HIS A 40 7.861 -5.026 89.312 1.00 0.00 O ATOM 623 CB HIS A 40 7.976 -4.089 86.148 1.00 0.00 C ATOM 624 CG HIS A 40 7.855 -2.858 87.012 1.00 0.00 C ATOM 625 ND1 HIS A 40 8.956 -2.246 87.591 1.00 0.00 N ATOM 626 CD2 HIS A 40 6.768 -2.108 87.394 1.00 0.00 C ATOM 627 CE1 HIS A 40 8.513 -1.178 88.281 1.00 0.00 C ATOM 628 NE2 HIS A 40 7.186 -1.048 88.194 1.00 0.00 N ATOM 0 H HIS A 40 7.882 -6.456 85.283 1.00 0.00 H new ATOM 0 HA HIS A 40 9.454 -5.133 87.322 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.694 -3.912 85.348 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.019 -4.307 85.675 1.00 0.00 H new ATOM 0 HD1 HIS A 40 9.926 -2.550 87.509 1.00 0.00 H new ATOM 0 HD2 HIS A 40 5.744 -2.311 87.116 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.152 -0.508 88.837 1.00 0.00 H new ATOM 636 N TYR A 41 6.347 -5.955 88.029 1.00 0.00 N ATOM 637 CA TYR A 41 5.416 -6.124 89.172 1.00 0.00 C ATOM 638 C TYR A 41 5.992 -7.187 90.103 1.00 0.00 C ATOM 639 O TYR A 41 5.960 -7.063 91.310 1.00 0.00 O ATOM 640 CB TYR A 41 4.062 -6.574 88.638 1.00 0.00 C ATOM 641 CG TYR A 41 3.748 -5.765 87.409 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.282 -6.135 86.168 1.00 0.00 C ATOM 643 CD2 TYR A 41 2.936 -4.632 87.513 1.00 0.00 C ATOM 644 CE1 TYR A 41 4.003 -5.369 85.032 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.655 -3.868 86.378 1.00 0.00 C ATOM 646 CZ TYR A 41 3.189 -4.235 85.137 1.00 0.00 C ATOM 647 OH TYR A 41 2.914 -3.481 84.016 1.00 0.00 O ATOM 0 H TYR A 41 5.999 -6.295 87.132 1.00 0.00 H new ATOM 0 HA TYR A 41 5.292 -5.188 89.716 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.082 -7.637 88.398 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.289 -6.432 89.394 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.909 -7.011 86.089 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.526 -4.347 88.471 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.415 -5.652 84.075 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.026 -2.994 86.458 1.00 0.00 H new ATOM 0 HH TYR A 41 2.213 -2.829 84.224 1.00 0.00 H new ATOM 657 N ALA A 42 6.541 -8.223 89.539 1.00 0.00 N ATOM 658 CA ALA A 42 7.148 -9.289 90.371 1.00 0.00 C ATOM 659 C ALA A 42 8.424 -8.738 91.001 1.00 0.00 C ATOM 660 O ALA A 42 8.583 -8.712 92.202 1.00 0.00 O ATOM 661 CB ALA A 42 7.501 -10.483 89.480 1.00 0.00 C ATOM 0 H ALA A 42 6.595 -8.376 88.532 1.00 0.00 H new ATOM 0 HA ALA A 42 6.451 -9.608 91.146 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.948 -11.270 90.087 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.597 -10.861 89.004 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.210 -10.168 88.714 1.00 0.00 H new ATOM 667 N ALA A 43 9.334 -8.293 90.189 1.00 0.00 N ATOM 668 CA ALA A 43 10.606 -7.740 90.719 1.00 0.00 C ATOM 669 C ALA A 43 10.308 -6.654 91.759 1.00 0.00 C ATOM 670 O ALA A 43 10.704 -6.748 92.906 1.00 0.00 O ATOM 671 CB ALA A 43 11.385 -7.113 89.560 1.00 0.00 C ATOM 0 H ALA A 43 9.251 -8.288 89.172 1.00 0.00 H new ATOM 0 HA ALA A 43 11.186 -8.537 91.185 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.323 -6.702 89.933 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.596 -7.874 88.809 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.792 -6.316 89.112 1.00 0.00 H new ATOM 677 N ASP A 44 9.631 -5.615 91.357 1.00 0.00 N ATOM 678 CA ASP A 44 9.318 -4.492 92.289 1.00 0.00 C ATOM 679 C ASP A 44 8.647 -4.985 93.580 1.00 0.00 C ATOM 680 O ASP A 44 8.883 -4.447 94.643 1.00 0.00 O ATOM 681 CB ASP A 44 8.379 -3.512 91.585 1.00 0.00 C ATOM 682 CG ASP A 44 8.145 -2.296 92.482 1.00 0.00 C ATOM 683 OD1 ASP A 44 7.362 -2.412 93.410 1.00 0.00 O ATOM 684 OD2 ASP A 44 8.753 -1.271 92.224 1.00 0.00 O ATOM 0 H ASP A 44 9.276 -5.493 90.409 1.00 0.00 H new ATOM 0 HA ASP A 44 10.257 -4.010 92.562 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.810 -3.198 90.634 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.430 -3.999 91.360 1.00 0.00 H new ATOM 689 N CYS A 45 7.804 -5.978 93.505 1.00 0.00 N ATOM 690 CA CYS A 45 7.110 -6.460 94.741 1.00 0.00 C ATOM 691 C CYS A 45 6.581 -7.870 94.506 1.00 0.00 C ATOM 692 O CYS A 45 5.391 -8.106 94.527 1.00 0.00 O ATOM 693 CB CYS A 45 5.918 -5.550 95.038 1.00 0.00 C ATOM 694 SG CYS A 45 6.500 -3.906 95.522 1.00 0.00 S ATOM 0 H CYS A 45 7.564 -6.477 92.648 1.00 0.00 H new ATOM 0 HA CYS A 45 7.813 -6.452 95.574 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.280 -5.474 94.158 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.312 -5.980 95.835 1.00 0.00 H new ATOM 0 HG CYS A 45 7.773 -3.807 95.278 1.00 0.00 H new ATOM 700 N GLY A 46 7.452 -8.806 94.275 1.00 0.00 N ATOM 701 CA GLY A 46 6.994 -10.205 94.025 1.00 0.00 C ATOM 702 C GLY A 46 7.427 -11.114 95.173 1.00 0.00 C ATOM 703 O GLY A 46 7.686 -12.285 94.974 1.00 0.00 O ATOM 0 H GLY A 46 8.462 -8.668 94.247 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.909 -10.228 93.923 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.410 -10.569 93.086 1.00 0.00 H new ATOM 707 N GLN A 47 7.535 -10.597 96.368 1.00 0.00 N ATOM 708 CA GLN A 47 7.983 -11.462 97.492 1.00 0.00 C ATOM 709 C GLN A 47 9.284 -12.132 97.049 1.00 0.00 C ATOM 710 O GLN A 47 9.768 -13.074 97.642 1.00 0.00 O ATOM 711 CB GLN A 47 6.900 -12.496 97.813 1.00 0.00 C ATOM 712 CG GLN A 47 5.767 -11.810 98.584 1.00 0.00 C ATOM 713 CD GLN A 47 5.326 -10.545 97.841 1.00 0.00 C ATOM 714 OE1 GLN A 47 5.107 -10.600 96.556 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 5.181 -9.496 98.437 1.00 0.00 N flip ATOM 0 H GLN A 47 7.335 -9.627 96.610 1.00 0.00 H new ATOM 0 HA GLN A 47 8.154 -10.884 98.400 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.516 -12.937 96.893 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.320 -13.309 98.405 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.924 -12.492 98.692 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.102 -11.554 99.589 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.352 -9.452 99.442 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.888 -8.659 97.933 1.00 0.00 H new ATOM 724 N LEU A 48 9.847 -11.592 96.003 1.00 0.00 N ATOM 725 CA LEU A 48 11.137 -12.084 95.446 1.00 0.00 C ATOM 726 C LEU A 48 11.051 -13.550 95.021 1.00 0.00 C ATOM 727 O LEU A 48 12.011 -14.123 94.545 1.00 0.00 O ATOM 728 CB LEU A 48 12.237 -11.904 96.482 1.00 0.00 C ATOM 729 CG LEU A 48 12.633 -10.411 96.627 1.00 0.00 C ATOM 730 CD1 LEU A 48 11.842 -9.503 95.669 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.378 -9.952 98.064 1.00 0.00 C ATOM 0 H LEU A 48 9.450 -10.802 95.495 1.00 0.00 H new ATOM 0 HA LEU A 48 11.366 -11.499 94.555 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.900 -12.289 97.445 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.111 -12.488 96.194 1.00 0.00 H new ATOM 0 HG LEU A 48 13.690 -10.329 96.375 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.154 -8.468 95.808 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.034 -9.805 94.639 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.776 -9.592 95.880 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.656 -8.903 98.166 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.321 -10.072 98.302 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.975 -10.554 98.749 1.00 0.00 H new ATOM 743 N GLU A 49 9.914 -14.154 95.158 1.00 0.00 N ATOM 744 CA GLU A 49 9.755 -15.572 94.721 1.00 0.00 C ATOM 745 C GLU A 49 9.129 -15.571 93.333 1.00 0.00 C ATOM 746 O GLU A 49 9.412 -16.412 92.500 1.00 0.00 O ATOM 747 CB GLU A 49 8.837 -16.328 95.684 1.00 0.00 C ATOM 748 CG GLU A 49 7.699 -15.409 96.121 1.00 0.00 C ATOM 749 CD GLU A 49 6.714 -16.189 96.994 1.00 0.00 C ATOM 750 OE1 GLU A 49 6.219 -17.205 96.535 1.00 0.00 O ATOM 751 OE2 GLU A 49 6.469 -15.754 98.107 1.00 0.00 O ATOM 0 H GLU A 49 9.077 -13.729 95.556 1.00 0.00 H new ATOM 0 HA GLU A 49 10.728 -16.063 94.710 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.436 -17.218 95.199 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.401 -16.666 96.553 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.097 -14.559 96.675 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.186 -15.008 95.247 1.00 0.00 H new ATOM 758 N ILE A 50 8.264 -14.630 93.094 1.00 0.00 N ATOM 759 CA ILE A 50 7.585 -14.549 91.777 1.00 0.00 C ATOM 760 C ILE A 50 8.585 -14.249 90.664 1.00 0.00 C ATOM 761 O ILE A 50 8.616 -14.928 89.666 1.00 0.00 O ATOM 762 CB ILE A 50 6.524 -13.446 91.822 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.584 -13.691 93.036 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.744 -13.443 90.498 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.104 -13.595 92.644 1.00 0.00 C ATOM 0 H ILE A 50 7.996 -13.907 93.762 1.00 0.00 H new ATOM 0 HA ILE A 50 7.117 -15.511 91.568 1.00 0.00 H new ATOM 0 HB ILE A 50 6.992 -12.469 91.945 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.785 -14.676 93.457 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.801 -12.961 93.816 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.987 -12.660 90.524 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.430 -13.257 89.672 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.261 -14.410 90.358 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.483 -13.773 93.522 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.896 -12.601 92.248 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.880 -14.343 91.883 1.00 0.00 H new ATOM 777 N LEU A 51 9.381 -13.229 90.799 1.00 0.00 N ATOM 778 CA LEU A 51 10.329 -12.902 89.700 1.00 0.00 C ATOM 779 C LEU A 51 11.063 -14.168 89.224 1.00 0.00 C ATOM 780 O LEU A 51 11.004 -14.509 88.065 1.00 0.00 O ATOM 781 CB LEU A 51 11.361 -11.801 90.078 1.00 0.00 C ATOM 782 CG LEU A 51 11.533 -11.581 91.590 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.216 -11.149 92.255 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.079 -12.849 92.245 1.00 0.00 C ATOM 0 H LEU A 51 9.418 -12.614 91.612 1.00 0.00 H new ATOM 0 HA LEU A 51 9.722 -12.498 88.889 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.328 -12.065 89.650 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.055 -10.861 89.619 1.00 0.00 H new ATOM 0 HG LEU A 51 12.248 -10.771 91.733 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.378 -11.003 93.323 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.873 -10.215 91.810 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.462 -11.922 92.105 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.197 -12.683 93.316 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.384 -13.672 92.080 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.046 -13.097 91.807 1.00 0.00 H new ATOM 796 N GLU A 52 11.763 -14.862 90.081 1.00 0.00 N ATOM 797 CA GLU A 52 12.488 -16.083 89.610 1.00 0.00 C ATOM 798 C GLU A 52 11.505 -17.116 89.043 1.00 0.00 C ATOM 799 O GLU A 52 11.872 -17.953 88.242 1.00 0.00 O ATOM 800 CB GLU A 52 13.302 -16.712 90.746 1.00 0.00 C ATOM 801 CG GLU A 52 12.395 -17.080 91.912 1.00 0.00 C ATOM 802 CD GLU A 52 11.634 -18.369 91.589 1.00 0.00 C ATOM 803 OE1 GLU A 52 12.284 -19.373 91.348 1.00 0.00 O ATOM 804 OE2 GLU A 52 10.415 -18.329 91.585 1.00 0.00 O ATOM 0 H GLU A 52 11.865 -14.643 91.072 1.00 0.00 H new ATOM 0 HA GLU A 52 13.172 -15.775 88.819 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.817 -17.602 90.383 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.070 -16.014 91.081 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.987 -17.213 92.817 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.692 -16.271 92.107 1.00 0.00 H new ATOM 811 N PHE A 53 10.266 -17.089 89.461 1.00 0.00 N ATOM 812 CA PHE A 53 9.289 -18.098 88.952 1.00 0.00 C ATOM 813 C PHE A 53 9.089 -17.972 87.438 1.00 0.00 C ATOM 814 O PHE A 53 9.637 -18.730 86.669 1.00 0.00 O ATOM 815 CB PHE A 53 7.937 -17.916 89.637 1.00 0.00 C ATOM 816 CG PHE A 53 6.939 -18.855 89.000 1.00 0.00 C ATOM 817 CD1 PHE A 53 7.149 -20.236 89.052 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.814 -18.342 88.341 1.00 0.00 C ATOM 819 CE1 PHE A 53 6.235 -21.108 88.451 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.898 -19.213 87.741 1.00 0.00 C ATOM 821 CZ PHE A 53 5.111 -20.598 87.793 1.00 0.00 C ATOM 0 H PHE A 53 9.890 -16.416 90.129 1.00 0.00 H new ATOM 0 HA PHE A 53 9.696 -19.084 89.175 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.023 -18.124 90.704 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.600 -16.884 89.539 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.018 -20.630 89.557 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.654 -17.275 88.296 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.397 -22.175 88.495 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.027 -18.819 87.238 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.407 -21.271 87.325 1.00 0.00 H new ATOM 831 N LEU A 54 8.267 -17.055 87.008 1.00 0.00 N ATOM 832 CA LEU A 54 7.996 -16.918 85.552 1.00 0.00 C ATOM 833 C LEU A 54 9.303 -16.743 84.767 1.00 0.00 C ATOM 834 O LEU A 54 9.311 -16.705 83.554 1.00 0.00 O ATOM 835 CB LEU A 54 7.024 -15.747 85.304 1.00 0.00 C ATOM 836 CG LEU A 54 7.625 -14.357 85.629 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.581 -14.420 86.818 1.00 0.00 C ATOM 838 CD2 LEU A 54 8.359 -13.793 84.409 1.00 0.00 C ATOM 0 H LEU A 54 7.771 -16.394 87.605 1.00 0.00 H new ATOM 0 HA LEU A 54 7.524 -17.833 85.193 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.710 -15.762 84.260 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.129 -15.896 85.908 1.00 0.00 H new ATOM 0 HG LEU A 54 6.797 -13.699 85.892 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.982 -13.426 87.015 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.045 -14.776 87.698 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.400 -15.103 86.591 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.775 -12.816 84.654 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.165 -14.470 84.124 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.660 -13.691 83.579 1.00 0.00 H new ATOM 850 N LEU A 55 10.410 -16.671 85.448 1.00 0.00 N ATOM 851 CA LEU A 55 11.720 -16.533 84.746 1.00 0.00 C ATOM 852 C LEU A 55 12.278 -17.933 84.454 1.00 0.00 C ATOM 853 O LEU A 55 12.886 -18.170 83.428 1.00 0.00 O ATOM 854 CB LEU A 55 12.687 -15.768 85.659 1.00 0.00 C ATOM 855 CG LEU A 55 13.807 -15.109 84.843 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.664 -14.256 85.782 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.691 -16.184 84.193 1.00 0.00 C ATOM 0 H LEU A 55 10.467 -16.702 86.466 1.00 0.00 H new ATOM 0 HA LEU A 55 11.596 -15.991 83.808 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.141 -15.006 86.216 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.119 -16.450 86.391 1.00 0.00 H new ATOM 0 HG LEU A 55 13.368 -14.489 84.061 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.464 -13.782 85.214 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.043 -13.489 86.245 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.095 -14.890 86.557 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.482 -15.705 83.617 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.134 -16.808 84.969 1.00 0.00 H new ATOM 0 HD23 LEU A 55 14.084 -16.803 83.532 1.00 0.00 H new ATOM 869 N LEU A 56 12.072 -18.861 85.354 1.00 0.00 N ATOM 870 CA LEU A 56 12.588 -20.244 85.143 1.00 0.00 C ATOM 871 C LEU A 56 11.934 -20.856 83.900 1.00 0.00 C ATOM 872 O LEU A 56 12.571 -21.564 83.144 1.00 0.00 O ATOM 873 CB LEU A 56 12.363 -21.096 86.411 1.00 0.00 C ATOM 874 CG LEU A 56 10.999 -21.809 86.397 1.00 0.00 C ATOM 875 CD1 LEU A 56 11.153 -23.210 85.790 1.00 0.00 C ATOM 876 CD2 LEU A 56 10.491 -21.952 87.835 1.00 0.00 C ATOM 0 H LEU A 56 11.567 -18.718 86.228 1.00 0.00 H new ATOM 0 HA LEU A 56 13.663 -20.216 84.966 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.158 -21.837 86.495 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.429 -20.458 87.292 1.00 0.00 H new ATOM 0 HG LEU A 56 10.295 -21.225 85.803 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.185 -23.711 85.782 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.526 -23.125 84.769 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.857 -23.790 86.387 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.525 -22.457 87.831 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.204 -22.537 88.416 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.383 -20.964 88.283 1.00 0.00 H new ATOM 888 N LYS A 57 10.692 -20.550 83.641 1.00 0.00 N ATOM 889 CA LYS A 57 10.061 -21.078 82.401 1.00 0.00 C ATOM 890 C LYS A 57 10.739 -20.344 81.243 1.00 0.00 C ATOM 891 O LYS A 57 11.869 -20.627 80.900 1.00 0.00 O ATOM 892 CB LYS A 57 8.546 -20.793 82.398 1.00 0.00 C ATOM 893 CG LYS A 57 7.770 -22.033 82.859 1.00 0.00 C ATOM 894 CD LYS A 57 8.026 -22.288 84.347 1.00 0.00 C ATOM 895 CE LYS A 57 6.893 -23.138 84.930 1.00 0.00 C ATOM 896 NZ LYS A 57 5.619 -22.364 84.900 1.00 0.00 N ATOM 0 H LYS A 57 10.095 -19.965 84.226 1.00 0.00 H new ATOM 0 HA LYS A 57 10.183 -22.158 82.322 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.326 -19.952 83.056 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.225 -20.506 81.397 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.704 -21.890 82.684 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.075 -22.901 82.275 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.980 -22.798 84.479 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.094 -21.340 84.881 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.784 -24.059 84.357 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.131 -23.426 85.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.135 -22.457 85.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.826 -21.361 84.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.006 -22.734 84.146 1.00 0.00 H new ATOM 910 N GLY A 58 10.091 -19.362 80.674 1.00 0.00 N ATOM 911 CA GLY A 58 10.747 -18.583 79.591 1.00 0.00 C ATOM 912 C GLY A 58 11.824 -17.723 80.254 1.00 0.00 C ATOM 913 O GLY A 58 12.610 -18.221 81.032 1.00 0.00 O ATOM 0 H GLY A 58 9.143 -19.070 80.912 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.187 -19.249 78.848 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.021 -17.959 79.070 1.00 0.00 H new ATOM 917 N ALA A 59 11.856 -16.441 79.998 1.00 0.00 N ATOM 918 CA ALA A 59 12.882 -15.589 80.668 1.00 0.00 C ATOM 919 C ALA A 59 12.788 -14.140 80.190 1.00 0.00 C ATOM 920 O ALA A 59 13.554 -13.698 79.356 1.00 0.00 O ATOM 921 CB ALA A 59 14.290 -16.130 80.392 1.00 0.00 C ATOM 0 H ALA A 59 11.225 -15.952 79.363 1.00 0.00 H new ATOM 0 HA ALA A 59 12.689 -15.617 81.740 1.00 0.00 H new ATOM 0 HB1 ALA A 59 15.026 -15.497 80.888 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.370 -17.148 80.774 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.476 -16.130 79.318 1.00 0.00 H new ATOM 927 N ASP A 60 11.883 -13.383 80.745 1.00 0.00 N ATOM 928 CA ASP A 60 11.781 -11.954 80.360 1.00 0.00 C ATOM 929 C ASP A 60 12.949 -11.237 81.031 1.00 0.00 C ATOM 930 O ASP A 60 13.068 -10.028 81.012 1.00 0.00 O ATOM 931 CB ASP A 60 10.454 -11.378 80.853 1.00 0.00 C ATOM 932 CG ASP A 60 10.400 -9.885 80.536 1.00 0.00 C ATOM 933 OD1 ASP A 60 10.867 -9.111 81.353 1.00 0.00 O ATOM 934 OD2 ASP A 60 9.892 -9.542 79.481 1.00 0.00 O ATOM 0 H ASP A 60 11.212 -13.694 81.447 1.00 0.00 H new ATOM 0 HA ASP A 60 11.817 -11.831 79.278 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.621 -11.893 80.374 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.352 -11.537 81.927 1.00 0.00 H new ATOM 939 N ILE A 61 13.808 -12.013 81.632 1.00 0.00 N ATOM 940 CA ILE A 61 14.996 -11.465 82.335 1.00 0.00 C ATOM 941 C ILE A 61 15.759 -10.530 81.408 1.00 0.00 C ATOM 942 O ILE A 61 16.541 -9.708 81.840 1.00 0.00 O ATOM 943 CB ILE A 61 15.903 -12.638 82.708 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.979 -12.176 83.694 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.571 -13.181 81.438 1.00 0.00 C ATOM 946 CD1 ILE A 61 18.047 -13.263 83.840 1.00 0.00 C ATOM 0 H ILE A 61 13.731 -13.030 81.664 1.00 0.00 H new ATOM 0 HA ILE A 61 14.684 -10.913 83.222 1.00 0.00 H new ATOM 0 HB ILE A 61 15.306 -13.421 83.176 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.434 -11.250 83.342 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.529 -11.962 84.664 1.00 0.00 H new ATOM 0 HG21 ILE A 61 17.219 -14.018 81.697 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.805 -13.518 80.740 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.164 -12.393 80.973 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.811 -12.930 84.543 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.586 -14.178 84.212 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.505 -13.455 82.870 1.00 0.00 H new ATOM 958 N ASN A 62 15.554 -10.672 80.135 1.00 0.00 N ATOM 959 CA ASN A 62 16.288 -9.821 79.159 1.00 0.00 C ATOM 960 C ASN A 62 15.373 -9.441 77.985 1.00 0.00 C ATOM 961 O ASN A 62 15.507 -8.389 77.399 1.00 0.00 O ATOM 962 CB ASN A 62 17.502 -10.609 78.656 1.00 0.00 C ATOM 963 CG ASN A 62 17.051 -11.976 78.125 1.00 0.00 C ATOM 964 OD1 ASN A 62 15.832 -12.386 78.357 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 17.815 -12.680 77.491 1.00 0.00 N flip ATOM 0 H ASN A 62 14.907 -11.344 79.722 1.00 0.00 H new ATOM 0 HA ASN A 62 16.614 -8.899 79.639 1.00 0.00 H new ATOM 0 HB2 ASN A 62 18.008 -10.051 77.868 1.00 0.00 H new ATOM 0 HB3 ASN A 62 18.221 -10.742 79.464 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.767 -12.363 77.308 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.503 -13.587 77.143 1.00 0.00 H new ATOM 972 N ALA A 63 14.448 -10.300 77.658 1.00 0.00 N ATOM 973 CA ALA A 63 13.485 -10.056 76.522 1.00 0.00 C ATOM 974 C ALA A 63 13.294 -8.563 76.156 1.00 0.00 C ATOM 975 O ALA A 63 13.450 -8.217 75.006 1.00 0.00 O ATOM 976 CB ALA A 63 12.134 -10.665 76.882 1.00 0.00 C ATOM 0 H ALA A 63 14.308 -11.189 78.139 1.00 0.00 H new ATOM 0 HA ALA A 63 13.920 -10.528 75.641 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.430 -10.495 76.068 1.00 0.00 H new ATOM 0 HB2 ALA A 63 12.249 -11.737 77.044 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.756 -10.199 77.792 1.00 0.00 H new ATOM 982 N PRO A 64 12.952 -7.723 77.116 1.00 0.00 N ATOM 983 CA PRO A 64 12.724 -6.290 76.898 1.00 0.00 C ATOM 984 C PRO A 64 13.246 -5.758 75.564 1.00 0.00 C ATOM 985 O PRO A 64 14.355 -6.016 75.141 1.00 0.00 O ATOM 986 CB PRO A 64 13.418 -5.689 78.115 1.00 0.00 C ATOM 987 CG PRO A 64 13.287 -6.771 79.231 1.00 0.00 C ATOM 988 CD PRO A 64 12.799 -8.064 78.537 1.00 0.00 C ATOM 0 HA PRO A 64 11.669 -6.030 76.816 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.464 -5.466 77.903 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.947 -4.753 78.416 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.244 -6.935 79.726 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.581 -6.453 79.998 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.400 -8.929 78.816 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.765 -8.299 78.791 1.00 0.00 H new ATOM 996 N ASP A 65 12.397 -5.003 74.911 1.00 0.00 N ATOM 997 CA ASP A 65 12.717 -4.391 73.593 1.00 0.00 C ATOM 998 C ASP A 65 12.116 -2.982 73.575 1.00 0.00 C ATOM 999 O ASP A 65 12.716 -2.039 73.094 1.00 0.00 O ATOM 1000 CB ASP A 65 12.080 -5.223 72.476 1.00 0.00 C ATOM 1001 CG ASP A 65 12.955 -6.440 72.177 1.00 0.00 C ATOM 1002 OD1 ASP A 65 14.156 -6.264 72.050 1.00 0.00 O ATOM 1003 OD2 ASP A 65 12.411 -7.527 72.080 1.00 0.00 O ATOM 0 H ASP A 65 11.463 -4.781 75.255 1.00 0.00 H new ATOM 0 HA ASP A 65 13.796 -4.354 73.440 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.082 -5.545 72.773 1.00 0.00 H new ATOM 0 HB3 ASP A 65 11.965 -4.616 71.578 1.00 0.00 H new ATOM 1008 N LYS A 66 10.926 -2.842 74.102 1.00 0.00 N ATOM 1009 CA LYS A 66 10.258 -1.521 74.139 1.00 0.00 C ATOM 1010 C LYS A 66 10.661 -0.773 75.408 1.00 0.00 C ATOM 1011 O LYS A 66 10.740 0.438 75.430 1.00 0.00 O ATOM 1012 CB LYS A 66 8.751 -1.748 74.128 1.00 0.00 C ATOM 1013 CG LYS A 66 8.052 -0.467 73.690 1.00 0.00 C ATOM 1014 CD LYS A 66 7.934 -0.428 72.163 1.00 0.00 C ATOM 1015 CE LYS A 66 7.345 0.915 71.732 1.00 0.00 C ATOM 1016 NZ LYS A 66 8.285 2.013 72.097 1.00 0.00 N ATOM 0 H LYS A 66 10.387 -3.604 74.513 1.00 0.00 H new ATOM 0 HA LYS A 66 10.554 -0.925 73.276 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.499 -2.563 73.450 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.409 -2.042 75.120 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.061 -0.412 74.141 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.611 0.400 74.042 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.914 -0.570 71.708 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.300 -1.244 71.816 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.167 0.917 70.657 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.381 1.073 72.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.116 2.834 71.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.131 2.286 73.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.265 1.686 71.976 1.00 0.00 H new ATOM 1030 N HIS A 67 10.934 -1.484 76.462 1.00 0.00 N ATOM 1031 CA HIS A 67 11.350 -0.812 77.721 1.00 0.00 C ATOM 1032 C HIS A 67 12.831 -0.503 77.624 1.00 0.00 C ATOM 1033 O HIS A 67 13.388 0.196 78.447 1.00 0.00 O ATOM 1034 CB HIS A 67 11.107 -1.750 78.911 1.00 0.00 C ATOM 1035 CG HIS A 67 9.808 -1.387 79.570 1.00 0.00 C ATOM 1036 ND1 HIS A 67 9.714 -1.059 80.915 1.00 0.00 N ATOM 1037 CD2 HIS A 67 8.541 -1.278 79.067 1.00 0.00 C ATOM 1038 CE1 HIS A 67 8.425 -0.769 81.169 1.00 0.00 C ATOM 1039 NE2 HIS A 67 7.668 -0.887 80.074 1.00 0.00 N ATOM 0 H HIS A 67 10.887 -2.502 76.507 1.00 0.00 H new ATOM 0 HA HIS A 67 10.776 0.103 77.865 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.080 -2.786 78.573 1.00 0.00 H new ATOM 0 HB3 HIS A 67 11.926 -1.669 79.626 1.00 0.00 H new ATOM 0 HD1 HIS A 67 10.481 -1.041 81.587 1.00 0.00 H new ATOM 0 HD2 HIS A 67 8.261 -1.467 78.041 1.00 0.00 H new ATOM 0 HE1 HIS A 67 8.049 -0.477 82.138 1.00 0.00 H new ATOM 1047 N HIS A 68 13.481 -1.029 76.625 1.00 0.00 N ATOM 1048 CA HIS A 68 14.933 -0.779 76.489 1.00 0.00 C ATOM 1049 C HIS A 68 15.569 -0.999 77.850 1.00 0.00 C ATOM 1050 O HIS A 68 16.526 -0.345 78.212 1.00 0.00 O ATOM 1051 CB HIS A 68 15.162 0.670 76.052 1.00 0.00 C ATOM 1052 CG HIS A 68 14.367 0.957 74.809 1.00 0.00 C ATOM 1053 ND1 HIS A 68 13.449 1.994 74.740 1.00 0.00 N ATOM 1054 CD2 HIS A 68 14.345 0.354 73.575 1.00 0.00 C ATOM 1055 CE1 HIS A 68 12.918 1.985 73.504 1.00 0.00 C ATOM 1056 NE2 HIS A 68 13.429 1.006 72.752 1.00 0.00 N ATOM 0 H HIS A 68 13.068 -1.618 75.902 1.00 0.00 H new ATOM 0 HA HIS A 68 15.369 -1.447 75.747 1.00 0.00 H new ATOM 0 HB2 HIS A 68 14.866 1.351 76.850 1.00 0.00 H new ATOM 0 HB3 HIS A 68 16.222 0.840 75.864 1.00 0.00 H new ATOM 0 HD2 HIS A 68 14.946 -0.496 73.287 1.00 0.00 H new ATOM 0 HE1 HIS A 68 12.170 2.684 73.161 1.00 0.00 H new ATOM 0 HE2 HIS A 68 13.198 0.784 71.784 1.00 0.00 H new ATOM 1064 N ILE A 69 15.040 -1.913 78.627 1.00 0.00 N ATOM 1065 CA ILE A 69 15.633 -2.130 79.965 1.00 0.00 C ATOM 1066 C ILE A 69 15.519 -3.572 80.414 1.00 0.00 C ATOM 1067 O ILE A 69 14.687 -4.354 79.996 1.00 0.00 O ATOM 1068 CB ILE A 69 14.974 -1.204 81.004 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.059 -0.349 81.673 1.00 0.00 C ATOM 1070 CG2 ILE A 69 14.229 -2.015 82.085 1.00 0.00 C ATOM 1071 CD1 ILE A 69 17.039 -1.229 82.460 1.00 0.00 C ATOM 0 H ILE A 69 14.241 -2.502 78.392 1.00 0.00 H new ATOM 0 HA ILE A 69 16.693 -1.891 79.887 1.00 0.00 H new ATOM 0 HB ILE A 69 14.250 -0.571 80.491 1.00 0.00 H new ATOM 0 HG12 ILE A 69 16.600 0.218 80.915 1.00 0.00 H new ATOM 0 HG13 ILE A 69 15.596 0.376 82.343 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.775 -1.333 82.803 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.452 -2.618 81.616 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.934 -2.668 82.600 1.00 0.00 H new ATOM 0 HD11 ILE A 69 17.799 -0.601 82.925 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.498 -1.776 83.232 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.518 -1.936 81.783 1.00 0.00 H new ATOM 1083 N THR A 70 16.397 -3.868 81.302 1.00 0.00 N ATOM 1084 CA THR A 70 16.513 -5.184 81.931 1.00 0.00 C ATOM 1085 C THR A 70 15.968 -4.963 83.364 1.00 0.00 C ATOM 1086 O THR A 70 16.509 -4.157 84.083 1.00 0.00 O ATOM 1087 CB THR A 70 18.014 -5.502 81.886 1.00 0.00 C ATOM 1088 OG1 THR A 70 18.609 -5.159 83.124 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.651 -4.663 80.764 1.00 0.00 C ATOM 0 H THR A 70 17.088 -3.198 81.639 1.00 0.00 H new ATOM 0 HA THR A 70 15.972 -6.010 81.470 1.00 0.00 H new ATOM 0 HB THR A 70 18.168 -6.565 81.699 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.580 -5.087 83.012 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.719 -4.873 80.714 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.186 -4.917 79.811 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.499 -3.604 80.971 1.00 0.00 H new ATOM 1097 N PRO A 71 14.855 -5.588 83.704 1.00 0.00 N ATOM 1098 CA PRO A 71 14.191 -5.343 85.004 1.00 0.00 C ATOM 1099 C PRO A 71 15.094 -5.642 86.198 1.00 0.00 C ATOM 1100 O PRO A 71 14.797 -5.246 87.303 1.00 0.00 O ATOM 1101 CB PRO A 71 12.952 -6.254 84.988 1.00 0.00 C ATOM 1102 CG PRO A 71 12.820 -6.807 83.548 1.00 0.00 C ATOM 1103 CD PRO A 71 14.169 -6.572 82.849 1.00 0.00 C ATOM 0 HA PRO A 71 13.932 -4.291 85.122 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.061 -7.067 85.706 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.059 -5.697 85.271 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.574 -7.869 83.564 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.016 -6.302 83.013 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.741 -7.496 82.768 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.032 -6.192 81.837 1.00 0.00 H new ATOM 1111 N LEU A 72 16.198 -6.293 86.013 1.00 0.00 N ATOM 1112 CA LEU A 72 17.073 -6.535 87.184 1.00 0.00 C ATOM 1113 C LEU A 72 17.353 -5.169 87.812 1.00 0.00 C ATOM 1114 O LEU A 72 17.471 -5.028 89.010 1.00 0.00 O ATOM 1115 CB LEU A 72 18.383 -7.217 86.746 1.00 0.00 C ATOM 1116 CG LEU A 72 18.171 -8.063 85.472 1.00 0.00 C ATOM 1117 CD1 LEU A 72 16.836 -8.820 85.531 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.195 -7.165 84.232 1.00 0.00 C ATOM 0 H LEU A 72 16.530 -6.662 85.122 1.00 0.00 H new ATOM 0 HA LEU A 72 16.594 -7.199 87.903 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.146 -6.461 86.561 1.00 0.00 H new ATOM 0 HB3 LEU A 72 18.752 -7.852 87.551 1.00 0.00 H new ATOM 0 HG LEU A 72 18.982 -8.789 85.411 1.00 0.00 H new ATOM 0 HD11 LEU A 72 16.711 -9.408 84.622 1.00 0.00 H new ATOM 0 HD12 LEU A 72 16.832 -9.483 86.396 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.017 -8.106 85.617 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.045 -7.773 83.340 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.399 -6.423 84.304 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.158 -6.659 84.168 1.00 0.00 H new ATOM 1130 N LEU A 73 17.398 -4.150 86.989 1.00 0.00 N ATOM 1131 CA LEU A 73 17.607 -2.771 87.497 1.00 0.00 C ATOM 1132 C LEU A 73 16.320 -2.339 88.208 1.00 0.00 C ATOM 1133 O LEU A 73 16.323 -1.503 89.086 1.00 0.00 O ATOM 1134 CB LEU A 73 17.890 -1.816 86.324 1.00 0.00 C ATOM 1135 CG LEU A 73 19.276 -2.111 85.716 1.00 0.00 C ATOM 1136 CD1 LEU A 73 19.161 -3.206 84.660 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.830 -0.849 85.052 1.00 0.00 C ATOM 0 H LEU A 73 17.297 -4.222 85.977 1.00 0.00 H new ATOM 0 HA LEU A 73 18.456 -2.743 88.180 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.119 -1.928 85.561 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.849 -0.783 86.669 1.00 0.00 H new ATOM 0 HG LEU A 73 19.943 -2.436 86.514 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.145 -3.408 84.236 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.771 -4.114 85.119 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.485 -2.880 83.869 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.809 -1.063 84.624 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.152 -0.526 84.262 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.924 -0.058 85.796 1.00 0.00 H new ATOM 1149 N SER A 74 15.212 -2.910 87.818 1.00 0.00 N ATOM 1150 CA SER A 74 13.918 -2.542 88.453 1.00 0.00 C ATOM 1151 C SER A 74 13.971 -2.771 89.970 1.00 0.00 C ATOM 1152 O SER A 74 13.558 -1.932 90.751 1.00 0.00 O ATOM 1153 CB SER A 74 12.793 -3.381 87.844 1.00 0.00 C ATOM 1154 OG SER A 74 11.541 -2.881 88.289 1.00 0.00 O ATOM 0 H SER A 74 15.149 -3.617 87.085 1.00 0.00 H new ATOM 0 HA SER A 74 13.729 -1.484 88.270 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.846 -3.346 86.756 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.905 -4.426 88.135 1.00 0.00 H new ATOM 0 HG SER A 74 11.679 -2.297 89.064 1.00 0.00 H new ATOM 1160 N ALA A 75 14.466 -3.897 90.402 1.00 0.00 N ATOM 1161 CA ALA A 75 14.520 -4.156 91.877 1.00 0.00 C ATOM 1162 C ALA A 75 15.543 -3.226 92.529 1.00 0.00 C ATOM 1163 O ALA A 75 15.376 -2.790 93.651 1.00 0.00 O ATOM 1164 CB ALA A 75 14.904 -5.611 92.136 1.00 0.00 C ATOM 0 H ALA A 75 14.832 -4.643 89.811 1.00 0.00 H new ATOM 0 HA ALA A 75 13.537 -3.965 92.308 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.941 -5.792 93.210 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.163 -6.269 91.683 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.883 -5.812 91.700 1.00 0.00 H new ATOM 1170 N VAL A 76 16.598 -2.914 91.835 1.00 0.00 N ATOM 1171 CA VAL A 76 17.633 -2.010 92.409 1.00 0.00 C ATOM 1172 C VAL A 76 16.961 -0.817 93.087 1.00 0.00 C ATOM 1173 O VAL A 76 17.087 -0.616 94.281 1.00 0.00 O ATOM 1174 CB VAL A 76 18.528 -1.526 91.276 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.577 -0.554 91.812 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.202 -2.745 90.646 1.00 0.00 C ATOM 0 H VAL A 76 16.791 -3.247 90.890 1.00 0.00 H new ATOM 0 HA VAL A 76 18.226 -2.543 93.152 1.00 0.00 H new ATOM 0 HB VAL A 76 17.936 -1.001 90.527 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.211 -0.215 90.993 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.080 0.304 92.266 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.190 -1.056 92.561 1.00 0.00 H new ATOM 0 HG21 VAL A 76 19.849 -2.422 89.831 1.00 0.00 H new ATOM 0 HG22 VAL A 76 19.797 -3.261 91.399 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.441 -3.422 90.259 1.00 0.00 H new ATOM 1186 N TYR A 77 16.246 -0.023 92.340 1.00 0.00 N ATOM 1187 CA TYR A 77 15.565 1.149 92.949 1.00 0.00 C ATOM 1188 C TYR A 77 14.385 0.653 93.790 1.00 0.00 C ATOM 1189 O TYR A 77 13.323 1.239 93.790 1.00 0.00 O ATOM 1190 CB TYR A 77 15.051 2.089 91.849 1.00 0.00 C ATOM 1191 CG TYR A 77 15.898 1.966 90.598 1.00 0.00 C ATOM 1192 CD1 TYR A 77 17.044 2.756 90.441 1.00 0.00 C ATOM 1193 CD2 TYR A 77 15.519 1.080 89.577 1.00 0.00 C ATOM 1194 CE1 TYR A 77 17.809 2.658 89.272 1.00 0.00 C ATOM 1195 CE2 TYR A 77 16.286 0.988 88.406 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.430 1.776 88.254 1.00 0.00 C ATOM 1197 OH TYR A 77 18.185 1.685 87.099 1.00 0.00 O ATOM 0 H TYR A 77 16.105 -0.136 91.336 1.00 0.00 H new ATOM 0 HA TYR A 77 16.269 1.694 93.577 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.013 1.851 91.616 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.069 3.119 92.206 1.00 0.00 H new ATOM 0 HD1 TYR A 77 17.338 3.441 91.222 1.00 0.00 H new ATOM 0 HD2 TYR A 77 14.636 0.469 89.693 1.00 0.00 H new ATOM 0 HE1 TYR A 77 18.695 3.265 89.156 1.00 0.00 H new ATOM 0 HE2 TYR A 77 15.992 0.307 87.621 1.00 0.00 H new ATOM 0 HH TYR A 77 18.944 2.302 87.155 1.00 0.00 H new ATOM 1207 N GLU A 78 14.569 -0.429 94.502 1.00 0.00 N ATOM 1208 CA GLU A 78 13.463 -0.979 95.344 1.00 0.00 C ATOM 1209 C GLU A 78 13.979 -1.235 96.757 1.00 0.00 C ATOM 1210 O GLU A 78 13.234 -1.207 97.716 1.00 0.00 O ATOM 1211 CB GLU A 78 12.990 -2.310 94.748 1.00 0.00 C ATOM 1212 CG GLU A 78 11.569 -2.614 95.220 1.00 0.00 C ATOM 1213 CD GLU A 78 10.591 -1.712 94.471 1.00 0.00 C ATOM 1214 OE1 GLU A 78 11.038 -0.996 93.591 1.00 0.00 O ATOM 1215 OE2 GLU A 78 9.415 -1.750 94.791 1.00 0.00 O ATOM 0 H GLU A 78 15.441 -0.958 94.537 1.00 0.00 H new ATOM 0 HA GLU A 78 12.640 -0.265 95.372 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.019 -2.262 93.659 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.663 -3.113 95.049 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.329 -3.662 95.039 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.486 -2.449 96.294 1.00 0.00 H new ATOM 1222 N GLY A 79 15.242 -1.520 96.892 1.00 0.00 N ATOM 1223 CA GLY A 79 15.788 -1.822 98.241 1.00 0.00 C ATOM 1224 C GLY A 79 15.548 -3.303 98.508 1.00 0.00 C ATOM 1225 O GLY A 79 15.973 -3.849 99.508 1.00 0.00 O ATOM 0 H GLY A 79 15.918 -1.557 96.129 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.852 -1.592 98.285 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.298 -1.211 98.999 1.00 0.00 H new ATOM 1229 N HIS A 80 14.884 -3.964 97.596 1.00 0.00 N ATOM 1230 CA HIS A 80 14.624 -5.413 97.763 1.00 0.00 C ATOM 1231 C HIS A 80 15.899 -6.149 97.377 1.00 0.00 C ATOM 1232 O HIS A 80 16.505 -6.830 98.175 1.00 0.00 O ATOM 1233 CB HIS A 80 13.497 -5.841 96.812 1.00 0.00 C ATOM 1234 CG HIS A 80 12.172 -5.776 97.514 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.331 -6.875 97.612 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.519 -4.748 98.145 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.230 -6.486 98.271 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.289 -5.199 98.621 1.00 0.00 N ATOM 0 H HIS A 80 14.511 -3.554 96.740 1.00 0.00 H new ATOM 0 HA HIS A 80 14.333 -5.638 98.789 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.485 -5.192 95.936 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.678 -6.855 96.455 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.899 -3.743 98.256 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.396 -7.136 98.492 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.586 -4.662 99.128 1.00 0.00 H new ATOM 1246 N VAL A 81 16.293 -5.980 96.148 1.00 0.00 N ATOM 1247 CA VAL A 81 17.524 -6.619 95.623 1.00 0.00 C ATOM 1248 C VAL A 81 17.747 -7.989 96.248 1.00 0.00 C ATOM 1249 O VAL A 81 18.818 -8.564 96.172 1.00 0.00 O ATOM 1250 CB VAL A 81 18.705 -5.675 95.835 1.00 0.00 C ATOM 1251 CG1 VAL A 81 18.711 -4.646 94.689 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.548 -4.943 97.172 1.00 0.00 C ATOM 0 H VAL A 81 15.795 -5.407 95.467 1.00 0.00 H new ATOM 0 HA VAL A 81 17.417 -6.796 94.553 1.00 0.00 H new ATOM 0 HB VAL A 81 19.638 -6.239 95.846 1.00 0.00 H new ATOM 0 HG11 VAL A 81 19.548 -3.960 94.820 1.00 0.00 H new ATOM 0 HG12 VAL A 81 18.813 -5.164 93.735 1.00 0.00 H new ATOM 0 HG13 VAL A 81 17.777 -4.085 94.699 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.393 -4.270 97.320 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.622 -4.367 97.165 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.517 -5.670 97.983 1.00 0.00 H new ATOM 1262 N SER A 82 16.714 -8.563 96.778 1.00 0.00 N ATOM 1263 CA SER A 82 16.834 -9.937 97.297 1.00 0.00 C ATOM 1264 C SER A 82 16.754 -10.804 96.049 1.00 0.00 C ATOM 1265 O SER A 82 17.168 -11.947 96.013 1.00 0.00 O ATOM 1266 CB SER A 82 15.672 -10.247 98.250 1.00 0.00 C ATOM 1267 OG SER A 82 15.104 -11.509 97.918 1.00 0.00 O ATOM 0 H SER A 82 15.792 -8.138 96.873 1.00 0.00 H new ATOM 0 HA SER A 82 17.750 -10.102 97.864 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.027 -10.257 99.281 1.00 0.00 H new ATOM 0 HB3 SER A 82 14.914 -9.467 98.181 1.00 0.00 H new ATOM 0 HG SER A 82 14.739 -11.926 98.726 1.00 0.00 H new ATOM 1273 N CYS A 83 16.217 -10.211 95.009 1.00 0.00 N ATOM 1274 CA CYS A 83 16.071 -10.902 93.702 1.00 0.00 C ATOM 1275 C CYS A 83 17.352 -10.738 92.868 1.00 0.00 C ATOM 1276 O CYS A 83 17.824 -11.690 92.278 1.00 0.00 O ATOM 1277 CB CYS A 83 14.880 -10.305 92.951 1.00 0.00 C ATOM 1278 SG CYS A 83 15.375 -8.766 92.133 1.00 0.00 S ATOM 0 H CYS A 83 15.867 -9.253 95.019 1.00 0.00 H new ATOM 0 HA CYS A 83 15.902 -11.965 93.872 1.00 0.00 H new ATOM 0 HB2 CYS A 83 14.511 -11.017 92.213 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.062 -10.111 93.645 1.00 0.00 H new ATOM 0 HG CYS A 83 14.430 -8.379 91.329 1.00 0.00 H new ATOM 1284 N VAL A 84 17.935 -9.552 92.799 1.00 0.00 N ATOM 1285 CA VAL A 84 19.187 -9.416 91.986 1.00 0.00 C ATOM 1286 C VAL A 84 20.098 -10.585 92.350 1.00 0.00 C ATOM 1287 O VAL A 84 20.635 -11.262 91.502 1.00 0.00 O ATOM 1288 CB VAL A 84 19.925 -8.101 92.266 1.00 0.00 C ATOM 1289 CG1 VAL A 84 19.120 -6.913 91.728 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.151 -7.929 93.761 1.00 0.00 C ATOM 0 H VAL A 84 17.606 -8.702 93.257 1.00 0.00 H new ATOM 0 HA VAL A 84 18.921 -9.417 90.929 1.00 0.00 H new ATOM 0 HB VAL A 84 20.890 -8.136 91.761 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.656 -5.987 91.934 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.985 -7.022 90.652 1.00 0.00 H new ATOM 0 HG13 VAL A 84 18.145 -6.884 92.215 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.676 -6.991 93.944 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.190 -7.913 94.275 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.750 -8.759 94.136 1.00 0.00 H new ATOM 1300 N LYS A 85 20.252 -10.831 93.621 1.00 0.00 N ATOM 1301 CA LYS A 85 21.099 -11.962 94.073 1.00 0.00 C ATOM 1302 C LYS A 85 20.578 -13.245 93.410 1.00 0.00 C ATOM 1303 O LYS A 85 21.283 -13.954 92.713 1.00 0.00 O ATOM 1304 CB LYS A 85 20.962 -12.068 95.604 1.00 0.00 C ATOM 1305 CG LYS A 85 22.295 -11.752 96.293 1.00 0.00 C ATOM 1306 CD LYS A 85 22.490 -10.235 96.365 1.00 0.00 C ATOM 1307 CE LYS A 85 23.868 -9.920 96.951 1.00 0.00 C ATOM 1308 NZ LYS A 85 24.157 -10.855 98.075 1.00 0.00 N ATOM 0 H LYS A 85 19.822 -10.290 94.371 1.00 0.00 H new ATOM 0 HA LYS A 85 22.145 -11.813 93.804 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.194 -11.378 95.954 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.636 -13.072 95.876 1.00 0.00 H new ATOM 0 HG2 LYS A 85 22.307 -12.178 97.296 1.00 0.00 H new ATOM 0 HG3 LYS A 85 23.118 -12.209 95.743 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.399 -9.799 95.370 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.711 -9.787 96.982 1.00 0.00 H new ATOM 0 HE2 LYS A 85 24.633 -10.014 96.180 1.00 0.00 H new ATOM 0 HE3 LYS A 85 23.897 -8.889 97.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 24.912 -10.459 98.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 23.298 -10.986 98.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 24.462 -11.773 97.693 1.00 0.00 H new ATOM 1322 N LEU A 86 19.325 -13.514 93.637 1.00 0.00 N ATOM 1323 CA LEU A 86 18.640 -14.710 93.066 1.00 0.00 C ATOM 1324 C LEU A 86 18.649 -14.641 91.537 1.00 0.00 C ATOM 1325 O LEU A 86 18.355 -15.601 90.855 1.00 0.00 O ATOM 1326 CB LEU A 86 17.185 -14.636 93.547 1.00 0.00 C ATOM 1327 CG LEU A 86 16.586 -16.023 93.755 1.00 0.00 C ATOM 1328 CD1 LEU A 86 15.158 -15.857 94.279 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.551 -16.785 92.425 1.00 0.00 C ATOM 0 H LEU A 86 18.722 -12.931 94.218 1.00 0.00 H new ATOM 0 HA LEU A 86 19.136 -15.629 93.377 1.00 0.00 H new ATOM 0 HB2 LEU A 86 17.139 -14.076 94.481 1.00 0.00 H new ATOM 0 HB3 LEU A 86 16.588 -14.088 92.818 1.00 0.00 H new ATOM 0 HG LEU A 86 17.192 -16.584 94.467 1.00 0.00 H new ATOM 0 HD11 LEU A 86 14.711 -16.839 94.435 1.00 0.00 H new ATOM 0 HD12 LEU A 86 15.178 -15.314 95.224 1.00 0.00 H new ATOM 0 HD13 LEU A 86 14.566 -15.300 93.552 1.00 0.00 H new ATOM 0 HD21 LEU A 86 16.122 -17.774 92.584 1.00 0.00 H new ATOM 0 HD22 LEU A 86 15.942 -16.236 91.707 1.00 0.00 H new ATOM 0 HD23 LEU A 86 17.565 -16.887 92.037 1.00 0.00 H new ATOM 1341 N LEU A 87 18.921 -13.490 90.995 1.00 0.00 N ATOM 1342 CA LEU A 87 18.874 -13.328 89.515 1.00 0.00 C ATOM 1343 C LEU A 87 20.152 -13.795 88.814 1.00 0.00 C ATOM 1344 O LEU A 87 20.118 -14.755 88.070 1.00 0.00 O ATOM 1345 CB LEU A 87 18.611 -11.857 89.199 1.00 0.00 C ATOM 1346 CG LEU A 87 17.182 -11.700 88.682 1.00 0.00 C ATOM 1347 CD1 LEU A 87 16.716 -10.261 88.875 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.139 -12.061 87.197 1.00 0.00 C ATOM 0 H LEU A 87 19.175 -12.650 91.514 1.00 0.00 H new ATOM 0 HA LEU A 87 18.073 -13.962 89.136 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.756 -11.250 90.092 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.321 -11.501 88.453 1.00 0.00 H new ATOM 0 HG LEU A 87 16.521 -12.365 89.238 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.696 -10.156 88.504 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.745 -10.008 89.935 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.374 -9.589 88.324 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.120 -11.950 86.825 1.00 0.00 H new ATOM 0 HD22 LEU A 87 17.802 -11.398 86.642 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.463 -13.093 87.064 1.00 0.00 H new ATOM 1360 N LEU A 88 21.268 -13.118 88.974 1.00 0.00 N ATOM 1361 CA LEU A 88 22.470 -13.571 88.221 1.00 0.00 C ATOM 1362 C LEU A 88 22.678 -15.061 88.440 1.00 0.00 C ATOM 1363 O LEU A 88 23.382 -15.716 87.696 1.00 0.00 O ATOM 1364 CB LEU A 88 23.736 -12.764 88.572 1.00 0.00 C ATOM 1365 CG LEU A 88 24.272 -13.087 89.972 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.141 -13.020 90.991 1.00 0.00 C ATOM 1367 CD2 LEU A 88 24.918 -14.483 89.991 1.00 0.00 C ATOM 0 H LEU A 88 21.392 -12.301 89.572 1.00 0.00 H new ATOM 0 HA LEU A 88 22.288 -13.387 87.162 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.511 -12.971 87.834 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.513 -11.699 88.509 1.00 0.00 H new ATOM 0 HG LEU A 88 25.031 -12.350 90.234 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.530 -13.251 91.983 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.713 -12.018 90.994 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.370 -13.744 90.727 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.293 -14.697 90.992 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.175 -15.231 89.714 1.00 0.00 H new ATOM 0 HD23 LEU A 88 25.744 -14.511 89.280 1.00 0.00 H new ATOM 1379 N SER A 89 22.033 -15.622 89.420 1.00 0.00 N ATOM 1380 CA SER A 89 22.165 -17.086 89.623 1.00 0.00 C ATOM 1381 C SER A 89 21.722 -17.747 88.318 1.00 0.00 C ATOM 1382 O SER A 89 21.967 -18.910 88.066 1.00 0.00 O ATOM 1383 CB SER A 89 21.254 -17.532 90.765 1.00 0.00 C ATOM 1384 OG SER A 89 21.304 -18.946 90.885 1.00 0.00 O ATOM 0 H SER A 89 21.427 -15.137 90.082 1.00 0.00 H new ATOM 0 HA SER A 89 23.188 -17.361 89.878 1.00 0.00 H new ATOM 0 HB2 SER A 89 21.568 -17.066 91.699 1.00 0.00 H new ATOM 0 HB3 SER A 89 20.231 -17.208 90.576 1.00 0.00 H new ATOM 0 HG SER A 89 20.721 -19.233 91.619 1.00 0.00 H new ATOM 1390 N LYS A 90 21.067 -16.978 87.485 1.00 0.00 N ATOM 1391 CA LYS A 90 20.584 -17.485 86.174 1.00 0.00 C ATOM 1392 C LYS A 90 21.351 -16.775 85.056 1.00 0.00 C ATOM 1393 O LYS A 90 21.442 -17.256 83.943 1.00 0.00 O ATOM 1394 CB LYS A 90 19.090 -17.170 86.051 1.00 0.00 C ATOM 1395 CG LYS A 90 18.297 -18.149 86.917 1.00 0.00 C ATOM 1396 CD LYS A 90 16.817 -17.733 86.969 1.00 0.00 C ATOM 1397 CE LYS A 90 16.547 -16.941 88.251 1.00 0.00 C ATOM 1398 NZ LYS A 90 16.509 -17.870 89.418 1.00 0.00 N ATOM 0 H LYS A 90 20.844 -15.999 87.667 1.00 0.00 H new ATOM 0 HA LYS A 90 20.743 -18.561 86.098 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.895 -16.145 86.368 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.774 -17.248 85.011 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.385 -19.157 86.513 1.00 0.00 H new ATOM 0 HG3 LYS A 90 18.711 -18.173 87.925 1.00 0.00 H new ATOM 0 HD2 LYS A 90 16.569 -17.128 86.097 1.00 0.00 H new ATOM 0 HD3 LYS A 90 16.180 -18.617 86.935 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.324 -16.191 88.397 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.600 -16.408 88.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 15.757 -17.574 90.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 16.318 -18.837 89.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 17.425 -17.848 89.910 1.00 0.00 H new ATOM 1412 N GLY A 91 21.908 -15.631 85.354 1.00 0.00 N ATOM 1413 CA GLY A 91 22.678 -14.868 84.331 1.00 0.00 C ATOM 1414 C GLY A 91 22.333 -13.380 84.433 1.00 0.00 C ATOM 1415 O GLY A 91 22.948 -12.639 85.176 1.00 0.00 O ATOM 0 H GLY A 91 21.861 -15.189 86.272 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.747 -15.015 84.482 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.443 -15.239 83.333 1.00 0.00 H new ATOM 1419 N ALA A 92 21.349 -12.942 83.696 1.00 0.00 N ATOM 1420 CA ALA A 92 20.946 -11.503 83.743 1.00 0.00 C ATOM 1421 C ALA A 92 22.169 -10.596 83.696 1.00 0.00 C ATOM 1422 O ALA A 92 22.053 -9.399 83.858 1.00 0.00 O ATOM 1423 CB ALA A 92 20.176 -11.239 85.045 1.00 0.00 C ATOM 0 H ALA A 92 20.802 -13.521 83.059 1.00 0.00 H new ATOM 0 HA ALA A 92 20.318 -11.288 82.879 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.879 -10.191 85.086 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.287 -11.870 85.076 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.814 -11.469 85.898 1.00 0.00 H new ATOM 1429 N ASP A 93 23.329 -11.134 83.455 1.00 0.00 N ATOM 1430 CA ASP A 93 24.533 -10.271 83.388 1.00 0.00 C ATOM 1431 C ASP A 93 24.419 -9.158 84.447 1.00 0.00 C ATOM 1432 O ASP A 93 24.539 -9.393 85.630 1.00 0.00 O ATOM 1433 CB ASP A 93 24.588 -9.654 81.993 1.00 0.00 C ATOM 1434 CG ASP A 93 25.181 -10.658 81.001 1.00 0.00 C ATOM 1435 OD1 ASP A 93 24.674 -11.765 80.934 1.00 0.00 O ATOM 1436 OD2 ASP A 93 26.129 -10.299 80.324 1.00 0.00 O ATOM 0 H ASP A 93 23.494 -12.129 83.302 1.00 0.00 H new ATOM 0 HA ASP A 93 25.436 -10.850 83.581 1.00 0.00 H new ATOM 0 HB2 ASP A 93 23.587 -9.364 81.675 1.00 0.00 H new ATOM 0 HB3 ASP A 93 25.192 -8.747 82.011 1.00 0.00 H new ATOM 1441 N LYS A 94 24.175 -7.952 84.016 1.00 0.00 N ATOM 1442 CA LYS A 94 24.023 -6.812 84.961 1.00 0.00 C ATOM 1443 C LYS A 94 23.381 -5.657 84.185 1.00 0.00 C ATOM 1444 O LYS A 94 22.296 -5.209 84.498 1.00 0.00 O ATOM 1445 CB LYS A 94 25.392 -6.414 85.512 1.00 0.00 C ATOM 1446 CG LYS A 94 26.489 -6.753 84.490 1.00 0.00 C ATOM 1447 CD LYS A 94 27.637 -5.746 84.606 1.00 0.00 C ATOM 1448 CE LYS A 94 27.164 -4.363 84.138 1.00 0.00 C ATOM 1449 NZ LYS A 94 28.311 -3.612 83.560 1.00 0.00 N ATOM 0 H LYS A 94 24.073 -7.705 83.032 1.00 0.00 H new ATOM 0 HA LYS A 94 23.394 -7.082 85.809 1.00 0.00 H new ATOM 0 HB2 LYS A 94 25.408 -5.347 85.734 1.00 0.00 H new ATOM 0 HB3 LYS A 94 25.582 -6.937 86.449 1.00 0.00 H new ATOM 0 HG2 LYS A 94 26.860 -7.763 84.663 1.00 0.00 H new ATOM 0 HG3 LYS A 94 26.077 -6.734 83.481 1.00 0.00 H new ATOM 0 HD2 LYS A 94 27.983 -5.692 85.638 1.00 0.00 H new ATOM 0 HD3 LYS A 94 28.483 -6.074 84.003 1.00 0.00 H new ATOM 0 HE2 LYS A 94 26.375 -4.470 83.394 1.00 0.00 H new ATOM 0 HE3 LYS A 94 26.739 -3.810 84.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 27.989 -2.675 83.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 29.051 -3.498 84.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 28.697 -4.137 82.750 1.00 0.00 H new ATOM 1463 N THR A 95 24.024 -5.225 83.133 1.00 0.00 N ATOM 1464 CA THR A 95 23.454 -4.158 82.260 1.00 0.00 C ATOM 1465 C THR A 95 23.403 -4.755 80.860 1.00 0.00 C ATOM 1466 O THR A 95 24.045 -4.283 79.944 1.00 0.00 O ATOM 1467 CB THR A 95 24.344 -2.907 82.238 1.00 0.00 C ATOM 1468 OG1 THR A 95 25.503 -3.167 81.458 1.00 0.00 O ATOM 1469 CG2 THR A 95 24.762 -2.510 83.654 1.00 0.00 C ATOM 0 H THR A 95 24.936 -5.573 82.837 1.00 0.00 H new ATOM 0 HA THR A 95 22.475 -3.850 82.627 1.00 0.00 H new ATOM 0 HB THR A 95 23.777 -2.085 81.802 1.00 0.00 H new ATOM 0 HG1 THR A 95 25.253 -3.234 80.513 1.00 0.00 H new ATOM 0 HG21 THR A 95 25.392 -1.621 83.612 1.00 0.00 H new ATOM 0 HG22 THR A 95 23.874 -2.298 84.249 1.00 0.00 H new ATOM 0 HG23 THR A 95 25.319 -3.328 84.112 1.00 0.00 H new ATOM 1477 N VAL A 96 22.684 -5.829 80.709 1.00 0.00 N ATOM 1478 CA VAL A 96 22.631 -6.514 79.398 1.00 0.00 C ATOM 1479 C VAL A 96 21.794 -5.696 78.406 1.00 0.00 C ATOM 1480 O VAL A 96 21.664 -6.058 77.254 1.00 0.00 O ATOM 1481 CB VAL A 96 22.040 -7.927 79.617 1.00 0.00 C ATOM 1482 CG1 VAL A 96 20.648 -8.051 78.995 1.00 0.00 C ATOM 1483 CG2 VAL A 96 22.964 -8.980 78.996 1.00 0.00 C ATOM 0 H VAL A 96 22.127 -6.263 81.446 1.00 0.00 H new ATOM 0 HA VAL A 96 23.630 -6.607 78.972 1.00 0.00 H new ATOM 0 HB VAL A 96 21.956 -8.090 80.691 1.00 0.00 H new ATOM 0 HG11 VAL A 96 20.261 -9.055 79.167 1.00 0.00 H new ATOM 0 HG12 VAL A 96 19.979 -7.322 79.452 1.00 0.00 H new ATOM 0 HG13 VAL A 96 20.711 -7.864 77.923 1.00 0.00 H new ATOM 0 HG21 VAL A 96 22.542 -9.973 79.154 1.00 0.00 H new ATOM 0 HG22 VAL A 96 23.062 -8.793 77.927 1.00 0.00 H new ATOM 0 HG23 VAL A 96 23.946 -8.924 79.465 1.00 0.00 H new ATOM 1493 N LYS A 97 21.248 -4.580 78.829 1.00 0.00 N ATOM 1494 CA LYS A 97 20.454 -3.753 77.868 1.00 0.00 C ATOM 1495 C LYS A 97 20.134 -2.348 78.432 1.00 0.00 C ATOM 1496 O LYS A 97 19.546 -1.534 77.750 1.00 0.00 O ATOM 1497 CB LYS A 97 19.154 -4.495 77.523 1.00 0.00 C ATOM 1498 CG LYS A 97 19.126 -4.820 76.026 1.00 0.00 C ATOM 1499 CD LYS A 97 18.930 -3.531 75.213 1.00 0.00 C ATOM 1500 CE LYS A 97 17.438 -3.219 75.093 1.00 0.00 C ATOM 1501 NZ LYS A 97 17.253 -1.988 74.275 1.00 0.00 N ATOM 0 H LYS A 97 21.316 -4.213 79.778 1.00 0.00 H new ATOM 0 HA LYS A 97 21.054 -3.606 76.970 1.00 0.00 H new ATOM 0 HB2 LYS A 97 19.083 -5.413 78.106 1.00 0.00 H new ATOM 0 HB3 LYS A 97 18.293 -3.882 77.788 1.00 0.00 H new ATOM 0 HG2 LYS A 97 20.056 -5.307 75.733 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.319 -5.521 75.812 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.447 -2.702 75.697 1.00 0.00 H new ATOM 0 HD3 LYS A 97 19.368 -3.645 74.222 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.916 -4.057 74.631 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.004 -3.079 76.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.280 -1.958 73.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.427 -1.150 74.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.923 -1.996 73.479 1.00 0.00 H new ATOM 1515 N GLY A 98 20.506 -2.042 79.651 1.00 0.00 N ATOM 1516 CA GLY A 98 20.202 -0.676 80.198 1.00 0.00 C ATOM 1517 C GLY A 98 21.111 0.350 79.517 1.00 0.00 C ATOM 1518 O GLY A 98 21.941 -0.016 78.709 1.00 0.00 O ATOM 0 H GLY A 98 21.001 -2.668 80.287 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.156 -0.426 80.024 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.358 -0.660 81.277 1.00 0.00 H new ATOM 1522 N PRO A 99 20.957 1.606 79.879 1.00 0.00 N ATOM 1523 CA PRO A 99 21.794 2.685 79.325 1.00 0.00 C ATOM 1524 C PRO A 99 23.216 2.178 79.163 1.00 0.00 C ATOM 1525 O PRO A 99 23.717 2.021 78.068 1.00 0.00 O ATOM 1526 CB PRO A 99 21.684 3.785 80.392 1.00 0.00 C ATOM 1527 CG PRO A 99 20.328 3.546 81.099 1.00 0.00 C ATOM 1528 CD PRO A 99 19.960 2.064 80.867 1.00 0.00 C ATOM 0 HA PRO A 99 21.491 3.043 78.341 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.511 3.728 81.100 1.00 0.00 H new ATOM 0 HB3 PRO A 99 21.720 4.776 79.939 1.00 0.00 H new ATOM 0 HG2 PRO A 99 20.404 3.763 82.164 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.559 4.204 80.693 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.018 1.488 81.791 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.943 1.958 80.488 1.00 0.00 H new ATOM 1536 N ASP A 100 23.851 1.893 80.246 1.00 0.00 N ATOM 1537 CA ASP A 100 25.226 1.360 80.176 1.00 0.00 C ATOM 1538 C ASP A 100 25.602 0.830 81.553 1.00 0.00 C ATOM 1539 O ASP A 100 24.826 0.162 82.220 1.00 0.00 O ATOM 1540 CB ASP A 100 26.196 2.469 79.759 1.00 0.00 C ATOM 1541 CG ASP A 100 27.545 1.851 79.384 1.00 0.00 C ATOM 1542 OD1 ASP A 100 27.621 1.235 78.334 1.00 0.00 O ATOM 1543 OD2 ASP A 100 28.479 2.006 80.153 1.00 0.00 O ATOM 0 H ASP A 100 23.476 2.006 81.188 1.00 0.00 H new ATOM 0 HA ASP A 100 25.281 0.560 79.438 1.00 0.00 H new ATOM 0 HB2 ASP A 100 25.790 3.023 78.913 1.00 0.00 H new ATOM 0 HB3 ASP A 100 26.324 3.181 80.574 1.00 0.00 H new ATOM 1548 N GLY A 101 26.775 1.134 81.994 1.00 0.00 N ATOM 1549 CA GLY A 101 27.201 0.662 83.332 1.00 0.00 C ATOM 1550 C GLY A 101 26.203 1.152 84.390 1.00 0.00 C ATOM 1551 O GLY A 101 26.398 0.951 85.573 1.00 0.00 O ATOM 0 H GLY A 101 27.464 1.691 81.488 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.256 -0.427 83.345 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.200 1.034 83.559 1.00 0.00 H new ATOM 1555 N LEU A 102 25.128 1.799 83.983 1.00 0.00 N ATOM 1556 CA LEU A 102 24.150 2.294 84.990 1.00 0.00 C ATOM 1557 C LEU A 102 23.879 1.246 86.027 1.00 0.00 C ATOM 1558 O LEU A 102 24.345 1.350 87.141 1.00 0.00 O ATOM 1559 CB LEU A 102 22.795 2.662 84.370 1.00 0.00 C ATOM 1560 CG LEU A 102 21.973 3.438 85.403 1.00 0.00 C ATOM 1561 CD1 LEU A 102 20.694 3.965 84.763 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.588 2.551 86.599 1.00 0.00 C ATOM 0 H LEU A 102 24.896 1.999 83.010 1.00 0.00 H new ATOM 0 HA LEU A 102 24.606 3.183 85.426 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.941 3.265 83.474 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.263 1.761 84.064 1.00 0.00 H new ATOM 0 HG LEU A 102 22.591 4.263 85.757 1.00 0.00 H new ATOM 0 HD11 LEU A 102 20.116 4.515 85.505 1.00 0.00 H new ATOM 0 HD12 LEU A 102 20.948 4.628 83.936 1.00 0.00 H new ATOM 0 HD13 LEU A 102 20.103 3.129 84.390 1.00 0.00 H new ATOM 0 HD21 LEU A 102 21.005 3.134 87.312 1.00 0.00 H new ATOM 0 HD22 LEU A 102 20.994 1.707 86.249 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.492 2.182 87.084 1.00 0.00 H new ATOM 1574 N THR A 103 23.063 0.278 85.703 1.00 0.00 N ATOM 1575 CA THR A 103 22.674 -0.731 86.724 1.00 0.00 C ATOM 1576 C THR A 103 22.863 -0.133 88.119 1.00 0.00 C ATOM 1577 O THR A 103 21.995 0.536 88.643 1.00 0.00 O ATOM 1578 CB THR A 103 23.493 -2.010 86.551 1.00 0.00 C ATOM 1579 OG1 THR A 103 22.918 -2.772 85.496 1.00 0.00 O ATOM 1580 CG2 THR A 103 23.467 -2.851 87.837 1.00 0.00 C ATOM 0 H THR A 103 22.652 0.145 84.779 1.00 0.00 H new ATOM 0 HA THR A 103 21.625 -0.996 86.596 1.00 0.00 H new ATOM 0 HB THR A 103 24.526 -1.744 86.326 1.00 0.00 H new ATOM 0 HG1 THR A 103 22.839 -3.708 85.774 1.00 0.00 H new ATOM 0 HG21 THR A 103 24.056 -3.757 87.692 1.00 0.00 H new ATOM 0 HG22 THR A 103 23.888 -2.272 88.659 1.00 0.00 H new ATOM 0 HG23 THR A 103 22.438 -3.122 88.074 1.00 0.00 H new ATOM 1588 N ALA A 104 23.972 -0.380 88.723 1.00 0.00 N ATOM 1589 CA ALA A 104 24.220 0.151 90.099 1.00 0.00 C ATOM 1590 C ALA A 104 24.996 1.481 90.061 1.00 0.00 C ATOM 1591 O ALA A 104 24.908 2.283 90.963 1.00 0.00 O ATOM 1592 CB ALA A 104 25.023 -0.887 90.876 1.00 0.00 C ATOM 0 H ALA A 104 24.735 -0.932 88.330 1.00 0.00 H new ATOM 0 HA ALA A 104 23.261 0.342 90.582 1.00 0.00 H new ATOM 0 HB1 ALA A 104 25.215 -0.519 91.884 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.458 -1.817 90.931 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.971 -1.068 90.369 1.00 0.00 H new ATOM 1598 N LEU A 105 25.770 1.702 89.038 1.00 0.00 N ATOM 1599 CA LEU A 105 26.579 2.951 88.947 1.00 0.00 C ATOM 1600 C LEU A 105 25.735 4.190 89.303 1.00 0.00 C ATOM 1601 O LEU A 105 26.007 4.871 90.274 1.00 0.00 O ATOM 1602 CB LEU A 105 27.079 3.100 87.504 1.00 0.00 C ATOM 1603 CG LEU A 105 28.290 2.192 87.220 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.574 2.868 87.706 1.00 0.00 C ATOM 1605 CD2 LEU A 105 28.142 0.830 87.915 1.00 0.00 C ATOM 0 H LEU A 105 25.879 1.063 88.250 1.00 0.00 H new ATOM 0 HA LEU A 105 27.409 2.882 89.651 1.00 0.00 H new ATOM 0 HB2 LEU A 105 26.272 2.856 86.813 1.00 0.00 H new ATOM 0 HB3 LEU A 105 27.353 4.139 87.320 1.00 0.00 H new ATOM 0 HG LEU A 105 28.339 2.029 86.143 1.00 0.00 H new ATOM 0 HD11 LEU A 105 30.426 2.220 87.502 1.00 0.00 H new ATOM 0 HD12 LEU A 105 29.706 3.816 87.184 1.00 0.00 H new ATOM 0 HD13 LEU A 105 29.506 3.050 88.778 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.013 0.213 87.695 1.00 0.00 H new ATOM 0 HD22 LEU A 105 28.065 0.978 88.992 1.00 0.00 H new ATOM 0 HD23 LEU A 105 27.243 0.332 87.552 1.00 0.00 H new ATOM 1617 N GLU A 106 24.750 4.504 88.506 1.00 0.00 N ATOM 1618 CA GLU A 106 23.916 5.715 88.757 1.00 0.00 C ATOM 1619 C GLU A 106 22.714 5.384 89.640 1.00 0.00 C ATOM 1620 O GLU A 106 22.040 6.264 90.145 1.00 0.00 O ATOM 1621 CB GLU A 106 23.398 6.221 87.389 1.00 0.00 C ATOM 1622 CG GLU A 106 21.879 5.962 87.245 1.00 0.00 C ATOM 1623 CD GLU A 106 21.077 7.011 88.021 1.00 0.00 C ATOM 1624 OE1 GLU A 106 21.499 8.157 88.046 1.00 0.00 O ATOM 1625 OE2 GLU A 106 20.056 6.651 88.585 1.00 0.00 O ATOM 0 H GLU A 106 24.484 3.966 87.681 1.00 0.00 H new ATOM 0 HA GLU A 106 24.519 6.467 89.265 1.00 0.00 H new ATOM 0 HB2 GLU A 106 23.600 7.288 87.291 1.00 0.00 H new ATOM 0 HB3 GLU A 106 23.935 5.719 86.584 1.00 0.00 H new ATOM 0 HG2 GLU A 106 21.599 5.988 86.192 1.00 0.00 H new ATOM 0 HG3 GLU A 106 21.638 4.965 87.615 1.00 0.00 H new ATOM 1632 N ALA A 107 22.388 4.135 89.767 1.00 0.00 N ATOM 1633 CA ALA A 107 21.163 3.789 90.529 1.00 0.00 C ATOM 1634 C ALA A 107 21.281 3.985 92.050 1.00 0.00 C ATOM 1635 O ALA A 107 20.323 4.384 92.684 1.00 0.00 O ATOM 1636 CB ALA A 107 20.799 2.332 90.282 1.00 0.00 C ATOM 0 H ALA A 107 22.908 3.346 89.382 1.00 0.00 H new ATOM 0 HA ALA A 107 20.398 4.477 90.168 1.00 0.00 H new ATOM 0 HB1 ALA A 107 19.899 2.082 90.843 1.00 0.00 H new ATOM 0 HB2 ALA A 107 20.618 2.177 89.218 1.00 0.00 H new ATOM 0 HB3 ALA A 107 21.619 1.692 90.607 1.00 0.00 H new ATOM 1642 N THR A 108 22.378 3.650 92.679 1.00 0.00 N ATOM 1643 CA THR A 108 22.390 3.779 94.167 1.00 0.00 C ATOM 1644 C THR A 108 23.794 3.941 94.755 1.00 0.00 C ATOM 1645 O THR A 108 24.735 4.361 94.110 1.00 0.00 O ATOM 1646 CB THR A 108 21.808 2.481 94.719 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.832 2.498 96.141 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.654 1.304 94.203 1.00 0.00 C ATOM 0 H THR A 108 23.236 3.305 92.248 1.00 0.00 H new ATOM 0 HA THR A 108 21.824 4.671 94.436 1.00 0.00 H new ATOM 0 HB THR A 108 20.775 2.375 94.389 1.00 0.00 H new ATOM 0 HG1 THR A 108 21.454 3.342 96.464 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.250 0.368 94.590 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.628 1.288 93.113 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.684 1.421 94.540 1.00 0.00 H new ATOM 1656 N ASP A 109 23.904 3.574 96.006 1.00 0.00 N ATOM 1657 CA ASP A 109 25.189 3.635 96.740 1.00 0.00 C ATOM 1658 C ASP A 109 25.219 2.469 97.732 1.00 0.00 C ATOM 1659 O ASP A 109 26.183 2.274 98.447 1.00 0.00 O ATOM 1660 CB ASP A 109 25.303 4.957 97.503 1.00 0.00 C ATOM 1661 CG ASP A 109 26.729 5.110 98.038 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.638 5.195 97.230 1.00 0.00 O ATOM 1663 OD2 ASP A 109 26.887 5.136 99.248 1.00 0.00 O ATOM 0 H ASP A 109 23.124 3.223 96.562 1.00 0.00 H new ATOM 0 HA ASP A 109 26.022 3.569 96.040 1.00 0.00 H new ATOM 0 HB2 ASP A 109 25.057 5.792 96.846 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.589 4.978 98.326 1.00 0.00 H new ATOM 1668 N ASN A 110 24.172 1.675 97.766 1.00 0.00 N ATOM 1669 CA ASN A 110 24.149 0.510 98.697 1.00 0.00 C ATOM 1670 C ASN A 110 25.001 -0.593 98.078 1.00 0.00 C ATOM 1671 O ASN A 110 24.898 -0.891 96.906 1.00 0.00 O ATOM 1672 CB ASN A 110 22.714 0.017 98.903 1.00 0.00 C ATOM 1673 CG ASN A 110 22.118 -0.377 97.563 1.00 0.00 C ATOM 1674 OD1 ASN A 110 22.592 -1.418 96.958 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 21.214 0.264 97.068 1.00 0.00 N flip ATOM 0 H ASN A 110 23.338 1.787 97.190 1.00 0.00 H new ATOM 0 HA ASN A 110 24.544 0.797 99.671 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.705 -0.835 99.582 1.00 0.00 H new ATOM 0 HB3 ASN A 110 22.112 0.799 99.365 1.00 0.00 H new ATOM 0 HD21 ASN A 110 20.846 1.083 97.551 1.00 0.00 H new ATOM 0 HD22 ASN A 110 20.823 -0.017 96.169 1.00 0.00 H new ATOM 1682 N GLN A 111 25.867 -1.171 98.851 1.00 0.00 N ATOM 1683 CA GLN A 111 26.778 -2.222 98.320 1.00 0.00 C ATOM 1684 C GLN A 111 26.015 -3.523 98.010 1.00 0.00 C ATOM 1685 O GLN A 111 26.603 -4.539 97.706 1.00 0.00 O ATOM 1686 CB GLN A 111 27.884 -2.435 99.359 1.00 0.00 C ATOM 1687 CG GLN A 111 28.577 -3.784 99.173 1.00 0.00 C ATOM 1688 CD GLN A 111 29.898 -3.753 99.941 1.00 0.00 C ATOM 1689 OE1 GLN A 111 29.920 -3.956 101.138 1.00 0.00 O ATOM 1690 NE2 GLN A 111 31.005 -3.486 99.304 1.00 0.00 N ATOM 0 H GLN A 111 25.987 -0.960 99.842 1.00 0.00 H new ATOM 0 HA GLN A 111 27.216 -1.906 97.373 1.00 0.00 H new ATOM 0 HB2 GLN A 111 28.619 -1.634 99.279 1.00 0.00 H new ATOM 0 HB3 GLN A 111 27.459 -2.379 100.361 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.943 -4.591 99.540 1.00 0.00 H new ATOM 0 HG3 GLN A 111 28.757 -3.976 98.115 1.00 0.00 H new ATOM 0 HE21 GLN A 111 30.986 -3.316 98.299 1.00 0.00 H new ATOM 0 HE22 GLN A 111 31.889 -3.448 99.812 1.00 0.00 H new ATOM 1699 N ALA A 112 24.710 -3.494 98.029 1.00 0.00 N ATOM 1700 CA ALA A 112 23.938 -4.724 97.691 1.00 0.00 C ATOM 1701 C ALA A 112 23.885 -4.829 96.177 1.00 0.00 C ATOM 1702 O ALA A 112 24.211 -5.835 95.560 1.00 0.00 O ATOM 1703 CB ALA A 112 22.505 -4.587 98.216 1.00 0.00 C ATOM 0 H ALA A 112 24.147 -2.676 98.263 1.00 0.00 H new ATOM 0 HA ALA A 112 24.408 -5.602 98.135 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.940 -5.486 97.969 1.00 0.00 H new ATOM 0 HB2 ALA A 112 22.525 -4.456 99.298 1.00 0.00 H new ATOM 0 HB3 ALA A 112 22.030 -3.721 97.755 1.00 0.00 H new ATOM 1709 N ILE A 113 23.486 -3.763 95.591 1.00 0.00 N ATOM 1710 CA ILE A 113 23.383 -3.681 94.121 1.00 0.00 C ATOM 1711 C ILE A 113 24.766 -3.496 93.526 1.00 0.00 C ATOM 1712 O ILE A 113 25.136 -4.151 92.564 1.00 0.00 O ATOM 1713 CB ILE A 113 22.502 -2.487 93.796 1.00 0.00 C ATOM 1714 CG1 ILE A 113 21.093 -2.798 94.305 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.467 -2.248 92.277 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.500 -1.617 95.088 1.00 0.00 C ATOM 0 H ILE A 113 23.216 -2.910 96.081 1.00 0.00 H new ATOM 0 HA ILE A 113 22.954 -4.592 93.704 1.00 0.00 H new ATOM 0 HB ILE A 113 22.894 -1.588 94.271 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.446 -3.037 93.461 1.00 0.00 H new ATOM 0 HG13 ILE A 113 21.123 -3.680 94.944 1.00 0.00 H new ATOM 0 HG21 ILE A 113 21.832 -1.389 92.058 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.477 -2.054 91.916 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.067 -3.131 91.779 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.499 -1.875 95.433 1.00 0.00 H new ATOM 0 HD12 ILE A 113 21.134 -1.395 95.946 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.446 -0.742 94.441 1.00 0.00 H new ATOM 1728 N LYS A 114 25.549 -2.618 94.081 1.00 0.00 N ATOM 1729 CA LYS A 114 26.900 -2.430 93.520 1.00 0.00 C ATOM 1730 C LYS A 114 27.566 -3.812 93.501 1.00 0.00 C ATOM 1731 O LYS A 114 28.568 -4.038 92.847 1.00 0.00 O ATOM 1732 CB LYS A 114 27.698 -1.406 94.354 1.00 0.00 C ATOM 1733 CG LYS A 114 26.750 -0.274 94.826 1.00 0.00 C ATOM 1734 CD LYS A 114 27.227 1.096 94.328 1.00 0.00 C ATOM 1735 CE LYS A 114 27.321 1.116 92.797 1.00 0.00 C ATOM 1736 NZ LYS A 114 28.753 1.186 92.393 1.00 0.00 N ATOM 0 H LYS A 114 25.313 -2.035 94.884 1.00 0.00 H new ATOM 0 HA LYS A 114 26.861 -2.024 92.509 1.00 0.00 H new ATOM 0 HB2 LYS A 114 28.153 -1.897 95.215 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.511 -0.990 93.758 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.741 -0.465 94.460 1.00 0.00 H new ATOM 0 HG3 LYS A 114 26.699 -0.270 95.915 1.00 0.00 H new ATOM 0 HD2 LYS A 114 26.538 1.871 94.665 1.00 0.00 H new ATOM 0 HD3 LYS A 114 28.201 1.326 94.760 1.00 0.00 H new ATOM 0 HE2 LYS A 114 26.857 0.222 92.381 1.00 0.00 H new ATOM 0 HE3 LYS A 114 26.777 1.972 92.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 28.821 1.519 91.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 29.258 1.847 93.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 29.182 0.242 92.469 1.00 0.00 H new ATOM 1750 N ALA A 115 26.964 -4.751 94.196 1.00 0.00 N ATOM 1751 CA ALA A 115 27.484 -6.143 94.211 1.00 0.00 C ATOM 1752 C ALA A 115 27.253 -6.773 92.841 1.00 0.00 C ATOM 1753 O ALA A 115 28.053 -7.555 92.370 1.00 0.00 O ATOM 1754 CB ALA A 115 26.757 -6.962 95.280 1.00 0.00 C ATOM 0 H ALA A 115 26.125 -4.603 94.757 1.00 0.00 H new ATOM 0 HA ALA A 115 28.550 -6.131 94.440 1.00 0.00 H new ATOM 0 HB1 ALA A 115 27.144 -7.981 95.284 1.00 0.00 H new ATOM 0 HB2 ALA A 115 26.918 -6.509 96.258 1.00 0.00 H new ATOM 0 HB3 ALA A 115 25.689 -6.981 95.061 1.00 0.00 H new ATOM 1760 N LEU A 116 26.162 -6.449 92.187 1.00 0.00 N ATOM 1761 CA LEU A 116 25.918 -7.056 90.850 1.00 0.00 C ATOM 1762 C LEU A 116 27.031 -6.599 89.909 1.00 0.00 C ATOM 1763 O LEU A 116 27.200 -7.127 88.832 1.00 0.00 O ATOM 1764 CB LEU A 116 24.556 -6.617 90.287 1.00 0.00 C ATOM 1765 CG LEU A 116 23.512 -7.735 90.445 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.233 -7.335 89.709 1.00 0.00 C ATOM 1767 CD2 LEU A 116 24.029 -9.060 89.858 1.00 0.00 C ATOM 0 H LEU A 116 25.445 -5.803 92.517 1.00 0.00 H new ATOM 0 HA LEU A 116 25.910 -8.142 90.942 1.00 0.00 H new ATOM 0 HB2 LEU A 116 24.216 -5.720 90.805 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.660 -6.357 89.234 1.00 0.00 H new ATOM 0 HG LEU A 116 23.316 -7.875 91.508 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.489 -8.124 89.817 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.844 -6.409 90.132 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.453 -7.187 88.652 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.271 -9.834 89.983 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.243 -8.929 88.797 1.00 0.00 H new ATOM 0 HD23 LEU A 116 24.940 -9.357 90.378 1.00 0.00 H new ATOM 1779 N LEU A 117 27.825 -5.657 90.337 1.00 0.00 N ATOM 1780 CA LEU A 117 28.962 -5.216 89.499 1.00 0.00 C ATOM 1781 C LEU A 117 30.034 -6.273 89.674 1.00 0.00 C ATOM 1782 O LEU A 117 30.534 -6.840 88.723 1.00 0.00 O ATOM 1783 CB LEU A 117 29.501 -3.886 90.013 1.00 0.00 C ATOM 1784 CG LEU A 117 28.366 -2.885 90.165 1.00 0.00 C ATOM 1785 CD1 LEU A 117 28.943 -1.544 90.630 1.00 0.00 C ATOM 1786 CD2 LEU A 117 27.658 -2.708 88.818 1.00 0.00 C ATOM 0 H LEU A 117 27.731 -5.177 91.232 1.00 0.00 H new ATOM 0 HA LEU A 117 28.663 -5.090 88.458 1.00 0.00 H new ATOM 0 HB2 LEU A 117 29.998 -4.032 90.972 1.00 0.00 H new ATOM 0 HB3 LEU A 117 30.249 -3.497 89.323 1.00 0.00 H new ATOM 0 HG LEU A 117 27.647 -3.247 90.900 1.00 0.00 H new ATOM 0 HD11 LEU A 117 28.136 -0.820 90.742 1.00 0.00 H new ATOM 0 HD12 LEU A 117 29.446 -1.677 91.588 1.00 0.00 H new ATOM 0 HD13 LEU A 117 29.658 -1.180 89.892 1.00 0.00 H new ATOM 0 HD21 LEU A 117 26.844 -1.991 88.926 1.00 0.00 H new ATOM 0 HD22 LEU A 117 28.370 -2.341 88.078 1.00 0.00 H new ATOM 0 HD23 LEU A 117 27.256 -3.666 88.490 1.00 0.00 H new ATOM 1798 N GLN A 118 30.342 -6.552 90.914 1.00 0.00 N ATOM 1799 CA GLN A 118 31.339 -7.592 91.264 1.00 0.00 C ATOM 1800 C GLN A 118 32.296 -7.859 90.098 1.00 0.00 C ATOM 1801 O GLN A 118 32.620 -9.016 89.878 1.00 0.00 O ATOM 1802 CB GLN A 118 30.592 -8.869 91.657 1.00 0.00 C ATOM 1803 CG GLN A 118 29.537 -9.227 90.603 1.00 0.00 C ATOM 1804 CD GLN A 118 30.220 -9.769 89.345 1.00 0.00 C ATOM 1805 OE1 GLN A 118 31.025 -10.675 89.418 1.00 0.00 O ATOM 1806 NE2 GLN A 118 29.929 -9.249 88.181 1.00 0.00 N ATOM 1807 OXT GLN A 118 32.692 -6.906 89.451 1.00 0.00 O ATOM 0 H GLN A 118 29.927 -6.083 91.719 1.00 0.00 H new ATOM 0 HA GLN A 118 31.945 -7.245 92.101 1.00 0.00 H new ATOM 0 HB2 GLN A 118 31.299 -9.691 91.764 1.00 0.00 H new ATOM 0 HB3 GLN A 118 30.113 -8.732 92.626 1.00 0.00 H new ATOM 0 HG2 GLN A 118 28.849 -9.972 91.003 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.945 -8.346 90.355 1.00 0.00 H new ATOM 0 HE21 GLN A 118 29.253 -8.488 88.117 1.00 0.00 H new ATOM 0 HE22 GLN A 118 30.378 -9.605 87.337 1.00 0.00 H new