USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 812 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 39 THR OG1 : rot 55:sc= -0.278 USER MOD Set 1.2: A 83 HIS : no HD1:sc= 0.804 K(o=0.53,f=-5.8!) USER MOD Set 2.1: A 49 TYR OH : rot -152:sc= 0.881 USER MOD Set 2.2: A 106 HIS : no HD1:sc=-0.00698 X(o=0.87,f=0.53) USER MOD Set 3.1: A 11 GLN : amide:sc= 1.17 K(o=2.1,f=-0.45) USER MOD Set 3.2: A 19 TYR OH : rot -83:sc= 0.97 USER MOD Set 4.1: A 1 MET CE :methyl 171:sc= -0.395 (180deg=-0.567) USER MOD Set 4.2: A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= -0.0681 (180deg=-0.212) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0.383 K(o=0.38,f=-1.9) USER MOD Single : A 6 ASN : amide:sc= -0.015 K(o=-0.015,f=-1.3!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0.918 (180deg=0.918) USER MOD Single : A 9 ASN : amide:sc= -0.471 K(o=-0.47,f=-2!) USER MOD Single : A 10 TYR OH : rot -142:sc= 0.972 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 17 SER OG : rot 79:sc= 0.831 USER MOD Single : A 20 MET CE :methyl 167:sc=-0.00419 (180deg=-0.211) USER MOD Single : A 21 SER OG : rot -17:sc= 0.505 USER MOD Single : A 22 GLN : amide:sc= -0.0668 K(o=-0.067,f=-6.5!) USER MOD Single : A 24 TYR OH : rot 176:sc= 0.791 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.38) USER MOD Single : A 34 THR OG1 : rot 83:sc= 1.34 USER MOD Single : A 35 THR OG1 : rot -9:sc= 0.0918 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 64:sc= 0.847 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 54:sc= -0.0542 USER MOD Single : A 54 ASN : amide:sc= -0.612 K(o=-0.61,f=-7.9!) USER MOD Single : A 55 SER OG : rot -50:sc= 0.639 USER MOD Single : A 56 THR OG1 : rot 53:sc= 0.763 USER MOD Single : A 58 SER OG : rot 159:sc= 0.898 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 62 CYS SG : rot -76:sc= -2.63 USER MOD Single : A 66 THR OG1 : rot -160:sc= 0.634 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 0:sc= -0.156 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0229) USER MOD Single : A 88 CYS SG : rot 150:sc= -0.366 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 172:sc= 0.957 (180deg=0.911) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= 0.307 K(o=0.31,f=-3.6!) USER MOD Single : A 98 MET CE :methyl 179:sc= -0.793 (180deg=-0.799) USER MOD Single : A 107 HIS : no HD1:sc= -0.341 X(o=-0.34,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.023 -2.941 0.465 1.00 0.00 N ATOM 2 CA MET A 1 1.155 -4.378 0.082 1.00 0.00 C ATOM 3 C MET A 1 -0.157 -4.931 -0.506 1.00 0.00 C ATOM 4 O MET A 1 -0.153 -5.941 -1.211 1.00 0.00 O ATOM 5 CB MET A 1 1.575 -5.213 1.290 1.00 0.00 C ATOM 6 CG MET A 1 3.012 -4.990 1.741 1.00 0.00 C ATOM 7 SD MET A 1 3.430 -5.933 3.221 1.00 0.00 S ATOM 8 CE MET A 1 3.377 -7.605 2.583 1.00 0.00 C ATOM 0 H1 MET A 1 1.953 -2.570 0.745 1.00 0.00 H new ATOM 0 H2 MET A 1 0.663 -2.397 -0.345 1.00 0.00 H new ATOM 0 H3 MET A 1 0.361 -2.854 1.262 1.00 0.00 H new ATOM 0 HA MET A 1 1.924 -4.444 -0.688 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.907 -4.988 2.122 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.442 -6.268 1.051 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.689 -5.269 0.934 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.167 -3.929 1.935 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.767 -8.293 3.333 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.347 -7.872 2.347 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.984 -7.669 1.680 1.00 0.00 H new ATOM 20 N SER A 2 -1.271 -4.258 -0.222 1.00 0.00 N ATOM 21 CA SER A 2 -2.607 -4.705 -0.659 1.00 0.00 C ATOM 22 C SER A 2 -2.682 -4.979 -2.173 1.00 0.00 C ATOM 23 O SER A 2 -3.468 -5.819 -2.620 1.00 0.00 O ATOM 24 CB SER A 2 -3.646 -3.672 -0.270 1.00 0.00 C ATOM 25 OG SER A 2 -3.453 -2.455 -0.938 1.00 0.00 O ATOM 0 H SER A 2 -1.281 -3.391 0.315 1.00 0.00 H new ATOM 0 HA SER A 2 -2.808 -5.650 -0.155 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.641 -4.056 -0.496 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.606 -3.505 0.806 1.00 0.00 H new ATOM 0 HG SER A 2 -4.143 -1.817 -0.661 1.00 0.00 H new ATOM 31 N TRP A 3 -1.882 -4.263 -2.962 1.00 0.00 N ATOM 32 CA TRP A 3 -1.812 -4.505 -4.410 1.00 0.00 C ATOM 33 C TRP A 3 -1.507 -5.975 -4.746 1.00 0.00 C ATOM 34 O TRP A 3 -1.934 -6.479 -5.789 1.00 0.00 O ATOM 35 CB TRP A 3 -0.753 -3.600 -5.042 1.00 0.00 C ATOM 36 CG TRP A 3 0.645 -3.921 -4.610 1.00 0.00 C ATOM 37 CD1 TRP A 3 1.291 -3.434 -3.513 1.00 0.00 C ATOM 38 CD2 TRP A 3 1.568 -4.801 -5.264 1.00 0.00 C ATOM 39 NE1 TRP A 3 2.560 -3.953 -3.443 1.00 0.00 N ATOM 40 CE2 TRP A 3 2.753 -4.797 -4.508 1.00 0.00 C ATOM 41 CE3 TRP A 3 1.505 -5.592 -6.418 1.00 0.00 C ATOM 42 CZ2 TRP A 3 3.863 -5.547 -4.863 1.00 0.00 C ATOM 43 CZ3 TRP A 3 2.617 -6.345 -6.773 1.00 0.00 C ATOM 44 CH2 TRP A 3 3.763 -6.324 -6.018 1.00 0.00 C ATOM 0 H TRP A 3 -1.275 -3.514 -2.629 1.00 0.00 H new ATOM 0 HA TRP A 3 -2.794 -4.273 -4.822 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -0.817 -3.683 -6.127 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -0.974 -2.563 -4.788 1.00 0.00 H new ATOM 0 HD1 TRP A 3 0.866 -2.741 -2.802 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.247 -3.745 -2.718 1.00 0.00 H new ATOM 0 HE3 TRP A 3 0.609 -5.616 -7.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 4.766 -5.531 -4.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 2.579 -6.959 -7.661 1.00 0.00 H new ATOM 0 HH2 TRP A 3 4.608 -6.923 -6.325 1.00 0.00 H new ATOM 55 N MET A 4 -0.788 -6.668 -3.864 1.00 0.00 N ATOM 56 CA MET A 4 -0.371 -8.048 -4.142 1.00 0.00 C ATOM 57 C MET A 4 -1.610 -8.943 -4.327 1.00 0.00 C ATOM 58 O MET A 4 -1.751 -9.638 -5.340 1.00 0.00 O ATOM 59 CB MET A 4 0.511 -8.579 -3.014 1.00 0.00 C ATOM 60 CG MET A 4 1.882 -7.924 -2.927 1.00 0.00 C ATOM 61 SD MET A 4 2.874 -8.566 -1.564 1.00 0.00 S ATOM 62 CE MET A 4 4.255 -7.427 -1.583 1.00 0.00 C ATOM 0 H MET A 4 -0.483 -6.305 -2.961 1.00 0.00 H new ATOM 0 HA MET A 4 0.212 -8.060 -5.063 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.007 -8.436 -2.066 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.643 -9.653 -3.147 1.00 0.00 H new ATOM 0 HG2 MET A 4 2.415 -8.081 -3.865 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.759 -6.848 -2.806 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.958 -7.694 -0.794 1.00 0.00 H new ATOM 0 HE2 MET A 4 4.757 -7.480 -2.549 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.892 -6.413 -1.417 1.00 0.00 H new ATOM 72 N GLN A 5 -2.498 -8.928 -3.328 1.00 0.00 N ATOM 73 CA GLN A 5 -3.804 -9.593 -3.431 1.00 0.00 C ATOM 74 C GLN A 5 -4.598 -9.073 -4.636 1.00 0.00 C ATOM 75 O GLN A 5 -5.208 -9.850 -5.365 1.00 0.00 O ATOM 76 CB GLN A 5 -4.629 -9.367 -2.150 1.00 0.00 C ATOM 77 CG GLN A 5 -4.328 -10.354 -1.032 1.00 0.00 C ATOM 78 CD GLN A 5 -5.206 -10.154 0.197 1.00 0.00 C ATOM 79 OE1 GLN A 5 -5.917 -9.162 0.318 1.00 0.00 O ATOM 80 NE2 GLN A 5 -5.183 -11.107 1.108 1.00 0.00 N ATOM 0 H GLN A 5 -2.337 -8.461 -2.435 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.617 -10.659 -3.563 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.445 -8.356 -1.786 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.689 -9.428 -2.398 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.463 -11.369 -1.406 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.282 -10.257 -0.743 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.581 -11.921 0.980 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.767 -11.031 1.941 1.00 0.00 H new ATOM 89 N ASN A 6 -4.560 -7.753 -4.839 1.00 0.00 N ATOM 90 CA ASN A 6 -5.335 -7.082 -5.899 1.00 0.00 C ATOM 91 C ASN A 6 -4.969 -7.589 -7.304 1.00 0.00 C ATOM 92 O ASN A 6 -5.715 -7.384 -8.261 1.00 0.00 O ATOM 93 CB ASN A 6 -5.162 -5.576 -5.832 1.00 0.00 C ATOM 94 CG ASN A 6 -5.880 -4.935 -4.677 1.00 0.00 C ATOM 95 OD1 ASN A 6 -6.808 -5.512 -4.099 1.00 0.00 O ATOM 96 ND2 ASN A 6 -5.510 -3.713 -4.391 1.00 0.00 N ATOM 0 H ASN A 6 -3.994 -7.117 -4.277 1.00 0.00 H new ATOM 0 HA ASN A 6 -6.381 -7.330 -5.719 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -4.099 -5.344 -5.761 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -5.523 -5.136 -6.762 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -5.994 -3.191 -3.661 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.737 -3.282 -4.898 1.00 0.00 H new ATOM 103 N LEU A 7 -3.819 -8.244 -7.423 1.00 0.00 N ATOM 104 CA LEU A 7 -3.443 -8.917 -8.672 1.00 0.00 C ATOM 105 C LEU A 7 -3.647 -10.439 -8.565 1.00 0.00 C ATOM 106 O LEU A 7 -4.437 -11.027 -9.302 1.00 0.00 O ATOM 107 CB LEU A 7 -1.988 -8.594 -9.030 1.00 0.00 C ATOM 108 CG LEU A 7 -1.697 -7.113 -9.307 1.00 0.00 C ATOM 109 CD1 LEU A 7 -0.207 -6.909 -9.546 1.00 0.00 C ATOM 110 CD2 LEU A 7 -2.505 -6.652 -10.510 1.00 0.00 C ATOM 0 H LEU A 7 -3.130 -8.326 -6.676 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.091 -8.547 -9.466 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.347 -8.927 -8.214 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.710 -9.173 -9.910 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.987 -6.518 -8.441 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.011 -5.855 -9.742 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.350 -7.224 -8.663 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.108 -7.502 -10.404 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.298 -5.600 -10.706 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.229 -7.245 -11.382 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.568 -6.780 -10.305 1.00 0.00 H new ATOM 122 N LYS A 8 -2.937 -11.057 -7.619 1.00 0.00 N ATOM 123 CA LYS A 8 -2.796 -12.519 -7.545 1.00 0.00 C ATOM 124 C LYS A 8 -4.109 -13.252 -7.136 1.00 0.00 C ATOM 125 O LYS A 8 -4.184 -14.478 -7.222 1.00 0.00 O ATOM 126 CB LYS A 8 -1.677 -12.875 -6.565 1.00 0.00 C ATOM 127 CG LYS A 8 -2.055 -12.724 -5.098 1.00 0.00 C ATOM 128 CD LYS A 8 -0.849 -12.927 -4.192 1.00 0.00 C ATOM 129 CE LYS A 8 -1.168 -12.552 -2.752 1.00 0.00 C ATOM 130 NZ LYS A 8 -2.185 -13.460 -2.154 1.00 0.00 N ATOM 0 H LYS A 8 -2.441 -10.560 -6.879 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.552 -12.862 -8.550 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.368 -13.905 -6.744 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.814 -12.242 -6.772 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.477 -11.733 -4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.829 -13.448 -4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.530 -13.968 -4.236 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.016 -12.323 -4.551 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.255 -12.587 -2.157 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.532 -11.525 -2.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.374 -13.171 -1.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.065 -13.408 -2.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.827 -14.437 -2.164 1.00 0.00 H new ATOM 144 N ASN A 9 -5.135 -12.514 -6.686 1.00 0.00 N ATOM 145 CA ASN A 9 -6.401 -13.135 -6.252 1.00 0.00 C ATOM 146 C ASN A 9 -7.183 -13.716 -7.438 1.00 0.00 C ATOM 147 O ASN A 9 -8.174 -14.420 -7.256 1.00 0.00 O ATOM 148 CB ASN A 9 -7.269 -12.151 -5.490 1.00 0.00 C ATOM 149 CG ASN A 9 -6.842 -11.946 -4.063 1.00 0.00 C ATOM 150 OD1 ASN A 9 -6.002 -12.683 -3.533 1.00 0.00 O ATOM 151 ND2 ASN A 9 -7.473 -11.000 -3.415 1.00 0.00 N ATOM 0 H ASN A 9 -5.117 -11.497 -6.612 1.00 0.00 H new ATOM 0 HA ASN A 9 -6.136 -13.954 -5.583 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.253 -11.191 -6.006 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.300 -12.503 -5.504 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.280 -10.844 -2.426 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.157 -10.419 -3.899 1.00 0.00 H new ATOM 158 N TYR A 10 -6.735 -13.402 -8.652 1.00 0.00 N ATOM 159 CA TYR A 10 -7.413 -13.854 -9.871 1.00 0.00 C ATOM 160 C TYR A 10 -6.433 -14.040 -11.035 1.00 0.00 C ATOM 161 O TYR A 10 -5.372 -13.413 -11.081 1.00 0.00 O ATOM 162 CB TYR A 10 -8.510 -12.863 -10.266 1.00 0.00 C ATOM 163 CG TYR A 10 -8.022 -11.440 -10.425 1.00 0.00 C ATOM 164 CD1 TYR A 10 -7.446 -11.012 -11.612 1.00 0.00 C ATOM 165 CD2 TYR A 10 -8.141 -10.528 -9.387 1.00 0.00 C ATOM 166 CE1 TYR A 10 -6.999 -9.714 -11.762 1.00 0.00 C ATOM 167 CE2 TYR A 10 -7.698 -9.228 -9.526 1.00 0.00 C ATOM 168 CZ TYR A 10 -7.127 -8.823 -10.716 1.00 0.00 C ATOM 169 OH TYR A 10 -6.684 -7.529 -10.859 1.00 0.00 O ATOM 0 H TYR A 10 -5.904 -12.835 -8.821 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.860 -14.824 -9.655 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -8.960 -13.189 -11.203 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.295 -12.885 -9.510 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.345 -11.706 -12.433 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -8.588 -10.840 -8.455 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.552 -9.398 -12.693 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.798 -8.531 -8.707 1.00 0.00 H new ATOM 0 HH TYR A 10 -6.276 -7.229 -10.020 1.00 0.00 H new ATOM 179 N GLN A 11 -6.803 -14.897 -11.981 1.00 0.00 N ATOM 180 CA GLN A 11 -6.063 -15.035 -13.234 1.00 0.00 C ATOM 181 C GLN A 11 -6.879 -14.477 -14.413 1.00 0.00 C ATOM 182 O GLN A 11 -7.664 -15.195 -15.036 1.00 0.00 O ATOM 183 CB GLN A 11 -5.711 -16.503 -13.490 1.00 0.00 C ATOM 184 CG GLN A 11 -4.969 -16.747 -14.793 1.00 0.00 C ATOM 185 CD GLN A 11 -3.718 -15.897 -14.913 1.00 0.00 C ATOM 186 OE1 GLN A 11 -2.867 -15.891 -14.020 1.00 0.00 O ATOM 187 NE2 GLN A 11 -3.601 -15.172 -16.020 1.00 0.00 N ATOM 0 H GLN A 11 -7.615 -15.510 -11.904 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.140 -14.461 -13.147 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -5.101 -16.868 -12.664 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.629 -17.090 -13.492 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.697 -17.800 -14.862 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.632 -16.533 -15.631 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.330 -15.208 -16.733 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.782 -14.579 -16.157 1.00 0.00 H new ATOM 196 N HIS A 12 -6.713 -13.187 -14.706 1.00 0.00 N ATOM 197 CA HIS A 12 -7.411 -12.569 -15.845 1.00 0.00 C ATOM 198 C HIS A 12 -6.458 -12.177 -16.987 1.00 0.00 C ATOM 199 O HIS A 12 -6.824 -12.273 -18.157 1.00 0.00 O ATOM 200 CB HIS A 12 -8.191 -11.335 -15.380 1.00 0.00 C ATOM 201 CG HIS A 12 -9.342 -11.656 -14.478 1.00 0.00 C ATOM 202 ND1 HIS A 12 -10.000 -10.693 -13.741 1.00 0.00 N ATOM 203 CD2 HIS A 12 -9.950 -12.830 -14.191 1.00 0.00 C ATOM 204 CE1 HIS A 12 -10.966 -11.263 -13.041 1.00 0.00 C ATOM 205 NE2 HIS A 12 -10.956 -12.559 -13.297 1.00 0.00 N ATOM 0 H HIS A 12 -6.111 -12.553 -14.181 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.097 -13.320 -16.238 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -7.511 -10.660 -14.860 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -8.564 -10.801 -16.254 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.692 -13.800 -14.591 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.647 -10.756 -12.374 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -11.593 -13.247 -12.895 1.00 0.00 H new ATOM 210 N LEU A 13 -5.242 -11.745 -16.666 1.00 0.00 N ATOM 211 CA LEU A 13 -4.300 -11.311 -17.705 1.00 0.00 C ATOM 212 C LEU A 13 -2.980 -12.104 -17.632 1.00 0.00 C ATOM 213 O LEU A 13 -2.667 -12.700 -16.603 1.00 0.00 O ATOM 214 CB LEU A 13 -4.028 -9.808 -17.574 1.00 0.00 C ATOM 215 CG LEU A 13 -5.262 -8.906 -17.712 1.00 0.00 C ATOM 216 CD1 LEU A 13 -4.890 -7.461 -17.413 1.00 0.00 C ATOM 217 CD2 LEU A 13 -5.831 -9.036 -19.118 1.00 0.00 C ATOM 0 H LEU A 13 -4.885 -11.685 -15.712 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.753 -11.508 -18.677 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.568 -9.622 -16.603 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.300 -9.519 -18.332 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.022 -9.217 -16.995 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.773 -6.830 -17.514 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.505 -7.387 -16.396 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.125 -7.130 -18.115 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.707 -8.396 -19.216 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.077 -8.734 -19.845 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.116 -10.072 -19.301 1.00 0.00 H new ATOM 229 N ARG A 14 -2.224 -12.132 -18.730 1.00 0.00 N ATOM 230 CA ARG A 14 -0.896 -12.764 -18.744 1.00 0.00 C ATOM 231 C ARG A 14 0.193 -11.883 -18.109 1.00 0.00 C ATOM 232 O ARG A 14 1.375 -12.226 -18.178 1.00 0.00 O ATOM 233 CB ARG A 14 -0.498 -13.200 -20.146 1.00 0.00 C ATOM 234 CG ARG A 14 -1.339 -14.326 -20.728 1.00 0.00 C ATOM 235 CD ARG A 14 -0.958 -14.723 -22.109 1.00 0.00 C ATOM 236 NE ARG A 14 -1.816 -15.735 -22.703 1.00 0.00 N ATOM 237 CZ ARG A 14 -1.657 -16.243 -23.940 1.00 0.00 C ATOM 238 NH1 ARG A 14 -0.701 -15.811 -24.732 1.00 0.00 N ATOM 239 NH2 ARG A 14 -2.505 -17.172 -24.348 1.00 0.00 N ATOM 0 H ARG A 14 -2.505 -11.726 -19.623 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.979 -13.655 -18.122 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.561 -12.338 -20.811 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.545 -13.516 -20.131 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.260 -15.197 -20.077 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.385 -14.021 -20.726 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.969 -13.837 -22.744 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.067 -15.095 -22.097 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.593 -16.085 -22.143 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.065 -15.080 -24.413 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.595 -16.207 -25.666 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.254 -17.485 -23.731 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.410 -17.576 -25.280 1.00 0.00 H new ATOM 253 N ASP A 15 -0.184 -10.772 -17.475 1.00 0.00 N ATOM 254 CA ASP A 15 0.805 -9.905 -16.812 1.00 0.00 C ATOM 255 C ASP A 15 1.573 -10.632 -15.693 1.00 0.00 C ATOM 256 O ASP A 15 0.983 -11.060 -14.706 1.00 0.00 O ATOM 257 CB ASP A 15 0.118 -8.660 -16.244 1.00 0.00 C ATOM 258 CG ASP A 15 1.072 -7.620 -15.671 1.00 0.00 C ATOM 259 OD1 ASP A 15 2.233 -7.924 -15.525 1.00 0.00 O ATOM 260 OD2 ASP A 15 0.672 -6.489 -15.533 1.00 0.00 O ATOM 0 H ASP A 15 -1.149 -10.450 -17.404 1.00 0.00 H new ATOM 0 HA ASP A 15 1.532 -9.615 -17.570 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.475 -8.196 -17.032 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.576 -8.968 -15.462 1.00 0.00 H new ATOM 265 N PRO A 16 2.918 -10.728 -15.806 1.00 0.00 N ATOM 266 CA PRO A 16 3.759 -11.387 -14.785 1.00 0.00 C ATOM 267 C PRO A 16 3.551 -10.799 -13.380 1.00 0.00 C ATOM 268 O PRO A 16 3.811 -11.460 -12.372 1.00 0.00 O ATOM 269 CB PRO A 16 5.188 -11.164 -15.288 1.00 0.00 C ATOM 270 CG PRO A 16 5.047 -11.038 -16.766 1.00 0.00 C ATOM 271 CD PRO A 16 3.746 -10.313 -16.982 1.00 0.00 C ATOM 0 HA PRO A 16 3.511 -12.442 -14.671 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.626 -10.266 -14.853 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.838 -11.997 -15.021 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.882 -10.483 -17.195 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.035 -12.017 -17.245 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.888 -9.233 -17.012 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.278 -10.599 -17.924 1.00 0.00 H new ATOM 279 N SER A 17 3.079 -9.551 -13.323 1.00 0.00 N ATOM 280 CA SER A 17 2.900 -8.833 -12.052 1.00 0.00 C ATOM 281 C SER A 17 2.049 -9.636 -11.054 1.00 0.00 C ATOM 282 O SER A 17 2.291 -9.589 -9.850 1.00 0.00 O ATOM 283 CB SER A 17 2.269 -7.478 -12.309 1.00 0.00 C ATOM 284 OG SER A 17 3.065 -6.674 -13.135 1.00 0.00 O ATOM 0 H SER A 17 2.812 -9.011 -14.146 1.00 0.00 H new ATOM 0 HA SER A 17 3.885 -8.697 -11.605 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.291 -7.616 -12.771 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.104 -6.969 -11.359 1.00 0.00 H new ATOM 0 HG SER A 17 2.950 -6.950 -14.068 1.00 0.00 H new ATOM 290 N GLU A 18 1.059 -10.375 -11.557 1.00 0.00 N ATOM 291 CA GLU A 18 0.212 -11.217 -10.705 1.00 0.00 C ATOM 292 C GLU A 18 1.068 -12.270 -9.962 1.00 0.00 C ATOM 293 O GLU A 18 0.818 -12.599 -8.796 1.00 0.00 O ATOM 294 CB GLU A 18 -0.875 -11.901 -11.537 1.00 0.00 C ATOM 295 CG GLU A 18 -1.940 -10.957 -12.077 1.00 0.00 C ATOM 296 CD GLU A 18 -2.889 -11.673 -12.997 1.00 0.00 C ATOM 297 OE1 GLU A 18 -2.680 -12.836 -13.247 1.00 0.00 O ATOM 298 OE2 GLU A 18 -3.883 -11.092 -13.362 1.00 0.00 O ATOM 0 H GLU A 18 0.823 -10.409 -12.549 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.271 -10.580 -9.964 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.404 -12.416 -12.375 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.358 -12.663 -10.925 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.495 -10.519 -11.247 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.463 -10.135 -12.611 1.00 0.00 H new ATOM 305 N TYR A 19 2.115 -12.757 -10.630 1.00 0.00 N ATOM 306 CA TYR A 19 3.003 -13.776 -10.053 1.00 0.00 C ATOM 307 C TYR A 19 4.165 -13.128 -9.289 1.00 0.00 C ATOM 308 O TYR A 19 4.678 -13.685 -8.320 1.00 0.00 O ATOM 309 CB TYR A 19 3.566 -14.677 -11.152 1.00 0.00 C ATOM 310 CG TYR A 19 2.516 -15.265 -12.076 1.00 0.00 C ATOM 311 CD1 TYR A 19 2.057 -14.552 -13.176 1.00 0.00 C ATOM 312 CD2 TYR A 19 2.003 -16.537 -11.863 1.00 0.00 C ATOM 313 CE1 TYR A 19 1.120 -15.089 -14.035 1.00 0.00 C ATOM 314 CE2 TYR A 19 1.069 -17.083 -12.723 1.00 0.00 C ATOM 315 CZ TYR A 19 0.630 -16.355 -13.807 1.00 0.00 C ATOM 316 OH TYR A 19 -0.295 -16.896 -14.670 1.00 0.00 O ATOM 0 H TYR A 19 2.372 -12.464 -11.573 1.00 0.00 H new ATOM 0 HA TYR A 19 2.412 -14.372 -9.358 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.277 -14.104 -11.747 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.122 -15.492 -10.688 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.440 -13.560 -13.362 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.339 -17.110 -11.011 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.772 -14.518 -14.883 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.685 -18.077 -12.546 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.191 -16.578 -14.431 1.00 0.00 H new ATOM 326 N MET A 20 4.586 -11.950 -9.735 1.00 0.00 N ATOM 327 CA MET A 20 5.559 -11.147 -8.988 1.00 0.00 C ATOM 328 C MET A 20 5.027 -10.852 -7.574 1.00 0.00 C ATOM 329 O MET A 20 5.785 -10.772 -6.609 1.00 0.00 O ATOM 330 CB MET A 20 5.860 -9.847 -9.730 1.00 0.00 C ATOM 331 CG MET A 20 6.971 -9.010 -9.112 1.00 0.00 C ATOM 332 SD MET A 20 7.348 -7.534 -10.076 1.00 0.00 S ATOM 333 CE MET A 20 5.879 -6.554 -9.784 1.00 0.00 C ATOM 0 H MET A 20 4.272 -11.526 -10.608 1.00 0.00 H new ATOM 0 HA MET A 20 6.487 -11.713 -8.900 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.131 -10.085 -10.759 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.950 -9.248 -9.770 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.681 -8.716 -8.103 1.00 0.00 H new ATOM 0 HG3 MET A 20 7.871 -9.619 -9.020 1.00 0.00 H new ATOM 0 HE1 MET A 20 6.052 -5.530 -10.116 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.042 -6.979 -10.339 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.647 -6.555 -8.719 1.00 0.00 H new ATOM 343 N SER A 21 3.708 -10.685 -7.474 1.00 0.00 N ATOM 344 CA SER A 21 3.035 -10.483 -6.185 1.00 0.00 C ATOM 345 C SER A 21 2.876 -11.814 -5.436 1.00 0.00 C ATOM 346 O SER A 21 2.884 -11.845 -4.208 1.00 0.00 O ATOM 347 CB SER A 21 1.684 -9.827 -6.396 1.00 0.00 C ATOM 348 OG SER A 21 0.822 -10.630 -7.154 1.00 0.00 O ATOM 0 H SER A 21 3.078 -10.685 -8.276 1.00 0.00 H new ATOM 0 HA SER A 21 3.653 -9.824 -5.575 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.228 -9.618 -5.428 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.821 -8.869 -6.897 1.00 0.00 H new ATOM 0 HG SER A 21 1.341 -11.322 -7.616 1.00 0.00 H new ATOM 354 N GLN A 22 2.709 -12.907 -6.192 1.00 0.00 N ATOM 355 CA GLN A 22 2.661 -14.260 -5.608 1.00 0.00 C ATOM 356 C GLN A 22 3.913 -14.543 -4.754 1.00 0.00 C ATOM 357 O GLN A 22 3.818 -14.874 -3.569 1.00 0.00 O ATOM 358 CB GLN A 22 2.537 -15.317 -6.708 1.00 0.00 C ATOM 359 CG GLN A 22 2.539 -16.748 -6.201 1.00 0.00 C ATOM 360 CD GLN A 22 2.609 -17.762 -7.328 1.00 0.00 C ATOM 361 OE1 GLN A 22 2.587 -17.403 -8.507 1.00 0.00 O ATOM 362 NE2 GLN A 22 2.691 -19.038 -6.970 1.00 0.00 N ATOM 0 H GLN A 22 2.605 -12.884 -7.206 1.00 0.00 H new ATOM 0 HA GLN A 22 1.783 -14.310 -4.963 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.615 -15.141 -7.262 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.361 -15.192 -7.411 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.388 -16.892 -5.533 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.638 -16.924 -5.614 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.706 -19.290 -5.982 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.739 -19.766 -7.683 1.00 0.00 H new ATOM 371 N VAL A 23 5.085 -14.416 -5.370 1.00 0.00 N ATOM 372 CA VAL A 23 6.350 -14.686 -4.683 1.00 0.00 C ATOM 373 C VAL A 23 7.155 -13.393 -4.460 1.00 0.00 C ATOM 374 O VAL A 23 7.610 -12.745 -5.403 1.00 0.00 O ATOM 375 CB VAL A 23 7.213 -15.689 -5.471 1.00 0.00 C ATOM 376 CG1 VAL A 23 8.532 -15.936 -4.754 1.00 0.00 C ATOM 377 CG2 VAL A 23 6.463 -16.997 -5.667 1.00 0.00 C ATOM 0 H VAL A 23 5.188 -14.128 -6.343 1.00 0.00 H new ATOM 0 HA VAL A 23 6.096 -15.118 -3.715 1.00 0.00 H new ATOM 0 HB VAL A 23 7.427 -15.263 -6.451 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.129 -16.647 -5.325 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.077 -14.997 -4.661 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.336 -16.341 -3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.087 -17.694 -6.226 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.220 -17.426 -4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.543 -16.810 -6.221 1.00 0.00 H new ATOM 387 N TYR A 24 7.331 -13.033 -3.191 1.00 0.00 N ATOM 388 CA TYR A 24 8.083 -11.829 -2.812 1.00 0.00 C ATOM 389 C TYR A 24 9.578 -11.949 -3.172 1.00 0.00 C ATOM 390 O TYR A 24 10.211 -10.964 -3.560 1.00 0.00 O ATOM 391 CB TYR A 24 7.926 -11.560 -1.313 1.00 0.00 C ATOM 392 CG TYR A 24 8.621 -10.302 -0.841 1.00 0.00 C ATOM 393 CD1 TYR A 24 8.085 -9.050 -1.101 1.00 0.00 C ATOM 394 CD2 TYR A 24 9.812 -10.371 -0.133 1.00 0.00 C ATOM 395 CE1 TYR A 24 8.716 -7.898 -0.671 1.00 0.00 C ATOM 396 CE2 TYR A 24 10.452 -9.226 0.302 1.00 0.00 C ATOM 397 CZ TYR A 24 9.900 -7.991 0.030 1.00 0.00 C ATOM 398 OH TYR A 24 10.533 -6.848 0.461 1.00 0.00 O ATOM 0 H TYR A 24 6.962 -13.559 -2.399 1.00 0.00 H new ATOM 0 HA TYR A 24 7.672 -10.993 -3.377 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.865 -11.488 -1.076 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.320 -12.411 -0.758 1.00 0.00 H new ATOM 0 HD1 TYR A 24 7.158 -8.974 -1.649 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.247 -11.336 0.082 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.284 -6.931 -0.883 1.00 0.00 H new ATOM 0 HE2 TYR A 24 11.379 -9.297 0.852 1.00 0.00 H new ATOM 0 HH TYR A 24 11.315 -7.090 0.999 1.00 0.00 H new ATOM 408 N GLY A 25 10.135 -13.154 -3.056 1.00 0.00 N ATOM 409 CA GLY A 25 11.579 -13.336 -3.205 1.00 0.00 C ATOM 410 C GLY A 25 12.037 -13.742 -4.606 1.00 0.00 C ATOM 411 O GLY A 25 11.616 -13.157 -5.606 1.00 0.00 O ATOM 0 H GLY A 25 9.616 -14.010 -2.862 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.078 -12.406 -2.931 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.910 -14.096 -2.497 1.00 0.00 H new ATOM 415 N ASP A 26 12.915 -14.747 -4.664 1.00 0.00 N ATOM 416 CA ASP A 26 13.613 -15.131 -5.898 1.00 0.00 C ATOM 417 C ASP A 26 12.707 -15.075 -7.149 1.00 0.00 C ATOM 418 O ASP A 26 11.644 -15.700 -7.191 1.00 0.00 O ATOM 419 CB ASP A 26 14.201 -16.536 -5.746 1.00 0.00 C ATOM 420 CG ASP A 26 15.355 -16.631 -4.758 1.00 0.00 C ATOM 421 OD1 ASP A 26 15.828 -15.607 -4.327 1.00 0.00 O ATOM 422 OD2 ASP A 26 15.648 -17.719 -4.322 1.00 0.00 O ATOM 0 H ASP A 26 13.163 -15.319 -3.857 1.00 0.00 H new ATOM 0 HA ASP A 26 14.409 -14.402 -6.051 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.410 -17.215 -5.428 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.544 -16.880 -6.721 1.00 0.00 H new ATOM 427 N PRO A 27 13.138 -14.320 -8.187 1.00 0.00 N ATOM 428 CA PRO A 27 12.390 -14.167 -9.454 1.00 0.00 C ATOM 429 C PRO A 27 12.053 -15.495 -10.152 1.00 0.00 C ATOM 430 O PRO A 27 10.983 -15.634 -10.745 1.00 0.00 O ATOM 431 CB PRO A 27 13.318 -13.304 -10.314 1.00 0.00 C ATOM 432 CG PRO A 27 14.120 -12.526 -9.329 1.00 0.00 C ATOM 433 CD PRO A 27 14.362 -13.466 -8.178 1.00 0.00 C ATOM 0 HA PRO A 27 11.410 -13.724 -9.279 1.00 0.00 H new ATOM 0 HB2 PRO A 27 13.956 -13.918 -10.949 1.00 0.00 H new ATOM 0 HB3 PRO A 27 12.751 -12.646 -10.973 1.00 0.00 H new ATOM 0 HG2 PRO A 27 15.060 -12.190 -9.766 1.00 0.00 H new ATOM 0 HG3 PRO A 27 13.584 -11.635 -9.002 1.00 0.00 H new ATOM 0 HD2 PRO A 27 15.268 -14.055 -8.320 1.00 0.00 H new ATOM 0 HD3 PRO A 27 14.475 -12.931 -7.235 1.00 0.00 H new ATOM 441 N LEU A 28 12.971 -16.462 -10.068 1.00 0.00 N ATOM 442 CA LEU A 28 12.858 -17.731 -10.809 1.00 0.00 C ATOM 443 C LEU A 28 11.533 -18.452 -10.498 1.00 0.00 C ATOM 444 O LEU A 28 10.870 -18.960 -11.403 1.00 0.00 O ATOM 445 CB LEU A 28 14.049 -18.641 -10.481 1.00 0.00 C ATOM 446 CG LEU A 28 14.004 -20.032 -11.126 1.00 0.00 C ATOM 447 CD1 LEU A 28 13.956 -19.903 -12.642 1.00 0.00 C ATOM 448 CD2 LEU A 28 15.222 -20.834 -10.691 1.00 0.00 C ATOM 0 H LEU A 28 13.809 -16.393 -9.490 1.00 0.00 H new ATOM 0 HA LEU A 28 12.867 -17.499 -11.874 1.00 0.00 H new ATOM 0 HB2 LEU A 28 14.965 -18.141 -10.796 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.107 -18.761 -9.399 1.00 0.00 H new ATOM 0 HG LEU A 28 13.105 -20.555 -10.800 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.924 -20.896 -13.091 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.065 -19.345 -12.932 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.844 -19.375 -12.991 1.00 0.00 H new ATOM 0 HD21 LEU A 28 15.190 -21.822 -11.150 1.00 0.00 H new ATOM 0 HD22 LEU A 28 16.129 -20.318 -11.005 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.221 -20.937 -9.606 1.00 0.00 H new ATOM 460 N ALA A 29 11.151 -18.466 -9.224 1.00 0.00 N ATOM 461 CA ALA A 29 9.947 -19.172 -8.777 1.00 0.00 C ATOM 462 C ALA A 29 8.684 -18.716 -9.536 1.00 0.00 C ATOM 463 O ALA A 29 8.066 -19.502 -10.257 1.00 0.00 O ATOM 464 CB ALA A 29 9.767 -18.987 -7.275 1.00 0.00 C ATOM 0 H ALA A 29 11.660 -17.994 -8.476 1.00 0.00 H new ATOM 0 HA ALA A 29 10.083 -20.230 -8.999 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.870 -19.514 -6.948 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.635 -19.389 -6.752 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.667 -17.926 -7.049 1.00 0.00 H new ATOM 470 N TYR A 30 8.322 -17.439 -9.397 1.00 0.00 N ATOM 471 CA TYR A 30 7.103 -16.916 -10.032 1.00 0.00 C ATOM 472 C TYR A 30 7.280 -16.714 -11.548 1.00 0.00 C ATOM 473 O TYR A 30 6.300 -16.624 -12.282 1.00 0.00 O ATOM 474 CB TYR A 30 6.691 -15.596 -9.377 1.00 0.00 C ATOM 475 CG TYR A 30 7.478 -14.399 -9.862 1.00 0.00 C ATOM 476 CD1 TYR A 30 7.254 -13.862 -11.121 1.00 0.00 C ATOM 477 CD2 TYR A 30 8.439 -13.807 -9.056 1.00 0.00 C ATOM 478 CE1 TYR A 30 7.970 -12.769 -11.570 1.00 0.00 C ATOM 479 CE2 TYR A 30 9.160 -12.713 -9.494 1.00 0.00 C ATOM 480 CZ TYR A 30 8.923 -12.196 -10.751 1.00 0.00 C ATOM 481 OH TYR A 30 9.638 -11.106 -11.191 1.00 0.00 O ATOM 0 H TYR A 30 8.847 -16.751 -8.857 1.00 0.00 H new ATOM 0 HA TYR A 30 6.318 -17.658 -9.887 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.632 -15.423 -9.566 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.811 -15.684 -8.297 1.00 0.00 H new ATOM 0 HD1 TYR A 30 6.507 -14.306 -11.762 1.00 0.00 H new ATOM 0 HD2 TYR A 30 8.627 -14.207 -8.071 1.00 0.00 H new ATOM 0 HE1 TYR A 30 7.786 -12.365 -12.555 1.00 0.00 H new ATOM 0 HE2 TYR A 30 9.906 -12.264 -8.855 1.00 0.00 H new ATOM 0 HH TYR A 30 10.267 -10.824 -10.494 1.00 0.00 H new ATOM 491 N LEU A 31 8.529 -16.641 -12.013 1.00 0.00 N ATOM 492 CA LEU A 31 8.817 -16.641 -13.455 1.00 0.00 C ATOM 493 C LEU A 31 8.350 -17.950 -14.113 1.00 0.00 C ATOM 494 O LEU A 31 7.654 -17.937 -15.136 1.00 0.00 O ATOM 495 CB LEU A 31 10.316 -16.426 -13.695 1.00 0.00 C ATOM 496 CG LEU A 31 10.753 -16.464 -15.165 1.00 0.00 C ATOM 497 CD1 LEU A 31 10.062 -15.353 -15.944 1.00 0.00 C ATOM 498 CD2 LEU A 31 12.265 -16.323 -15.251 1.00 0.00 C ATOM 0 H LEU A 31 9.355 -16.581 -11.418 1.00 0.00 H new ATOM 0 HA LEU A 31 8.265 -15.820 -13.912 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.601 -15.463 -13.272 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.869 -17.190 -13.148 1.00 0.00 H new ATOM 0 HG LEU A 31 10.465 -17.419 -15.605 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.379 -15.388 -16.986 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.982 -15.487 -15.888 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.330 -14.387 -15.516 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.574 -16.350 -16.296 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.568 -15.374 -14.808 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.738 -17.143 -14.711 1.00 0.00 H new ATOM 510 N GLN A 32 8.719 -19.081 -13.512 1.00 0.00 N ATOM 511 CA GLN A 32 8.261 -20.386 -13.992 1.00 0.00 C ATOM 512 C GLN A 32 6.744 -20.533 -13.830 1.00 0.00 C ATOM 513 O GLN A 32 6.084 -21.129 -14.677 1.00 0.00 O ATOM 514 CB GLN A 32 8.975 -21.512 -13.240 1.00 0.00 C ATOM 515 CG GLN A 32 10.462 -21.611 -13.533 1.00 0.00 C ATOM 516 CD GLN A 32 10.749 -21.862 -15.001 1.00 0.00 C ATOM 517 OE1 GLN A 32 10.098 -22.692 -15.641 1.00 0.00 O ATOM 518 NE2 GLN A 32 11.729 -21.149 -15.542 1.00 0.00 N ATOM 0 H GLN A 32 9.330 -19.121 -12.696 1.00 0.00 H new ATOM 0 HA GLN A 32 8.502 -20.455 -15.053 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.836 -21.364 -12.169 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.502 -22.461 -13.494 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.952 -20.688 -13.223 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.893 -22.417 -12.939 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.241 -20.473 -14.975 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.970 -21.277 -16.525 1.00 0.00 H new ATOM 527 N GLU A 33 6.189 -19.973 -12.754 1.00 0.00 N ATOM 528 CA GLU A 33 4.734 -19.969 -12.555 1.00 0.00 C ATOM 529 C GLU A 33 4.033 -19.089 -13.614 1.00 0.00 C ATOM 530 O GLU A 33 2.936 -19.408 -14.072 1.00 0.00 O ATOM 531 CB GLU A 33 4.388 -19.480 -11.147 1.00 0.00 C ATOM 532 CG GLU A 33 2.992 -19.860 -10.674 1.00 0.00 C ATOM 533 CD GLU A 33 2.991 -21.209 -10.008 1.00 0.00 C ATOM 534 OE1 GLU A 33 3.322 -22.171 -10.658 1.00 0.00 O ATOM 535 OE2 GLU A 33 2.767 -21.264 -8.822 1.00 0.00 O ATOM 0 H GLU A 33 6.718 -19.519 -12.010 1.00 0.00 H new ATOM 0 HA GLU A 33 4.375 -20.992 -12.670 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.118 -19.884 -10.446 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.485 -18.395 -11.119 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.624 -19.107 -9.977 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.308 -19.870 -11.523 1.00 0.00 H new ATOM 542 N THR A 34 4.688 -17.998 -14.020 1.00 0.00 N ATOM 543 CA THR A 34 4.152 -17.116 -15.077 1.00 0.00 C ATOM 544 C THR A 34 4.031 -17.856 -16.418 1.00 0.00 C ATOM 545 O THR A 34 3.065 -17.671 -17.164 1.00 0.00 O ATOM 546 CB THR A 34 5.033 -15.868 -15.273 1.00 0.00 C ATOM 547 OG1 THR A 34 5.069 -15.110 -14.057 1.00 0.00 O ATOM 548 CG2 THR A 34 4.483 -14.998 -16.393 1.00 0.00 C ATOM 0 H THR A 34 5.586 -17.700 -13.639 1.00 0.00 H new ATOM 0 HA THR A 34 3.161 -16.805 -14.747 1.00 0.00 H new ATOM 0 HB THR A 34 6.040 -16.190 -15.538 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.747 -15.485 -13.458 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.118 -14.121 -16.518 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.466 -15.568 -17.322 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.471 -14.681 -16.143 1.00 0.00 H new ATOM 556 N THR A 35 5.027 -18.683 -16.724 1.00 0.00 N ATOM 557 CA THR A 35 5.088 -19.391 -18.015 1.00 0.00 C ATOM 558 C THR A 35 4.384 -20.766 -17.967 1.00 0.00 C ATOM 559 O THR A 35 4.001 -21.314 -19.006 1.00 0.00 O ATOM 560 CB THR A 35 6.545 -19.594 -18.468 1.00 0.00 C ATOM 561 OG1 THR A 35 7.237 -20.407 -17.511 1.00 0.00 O ATOM 562 CG2 THR A 35 7.255 -18.255 -18.598 1.00 0.00 C ATOM 0 H THR A 35 5.808 -18.885 -16.099 1.00 0.00 H new ATOM 0 HA THR A 35 4.563 -18.759 -18.731 1.00 0.00 H new ATOM 0 HB THR A 35 6.542 -20.088 -19.440 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.677 -20.523 -16.715 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.284 -18.418 -18.919 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.738 -17.639 -19.334 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.252 -17.747 -17.634 1.00 0.00 H new ATOM 570 N LYS A 36 4.194 -21.313 -16.766 1.00 0.00 N ATOM 571 CA LYS A 36 3.616 -22.657 -16.610 1.00 0.00 C ATOM 572 C LYS A 36 2.309 -22.660 -15.783 1.00 0.00 C ATOM 573 O LYS A 36 1.366 -23.387 -16.112 1.00 0.00 O ATOM 574 CB LYS A 36 4.639 -23.592 -15.964 1.00 0.00 C ATOM 575 CG LYS A 36 5.945 -23.724 -16.736 1.00 0.00 C ATOM 576 CD LYS A 36 5.732 -24.430 -18.067 1.00 0.00 C ATOM 577 CE LYS A 36 7.046 -24.617 -18.812 1.00 0.00 C ATOM 578 NZ LYS A 36 6.844 -25.234 -20.151 1.00 0.00 N ATOM 0 H LYS A 36 4.429 -20.852 -15.887 1.00 0.00 H new ATOM 0 HA LYS A 36 3.361 -23.009 -17.610 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.860 -23.231 -14.959 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.193 -24.581 -15.857 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.368 -22.735 -16.910 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.668 -24.280 -16.139 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.268 -25.401 -17.895 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.043 -23.851 -18.682 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.538 -23.651 -18.928 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.712 -25.245 -18.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.763 -25.344 -20.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.398 -26.167 -20.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.229 -24.623 -20.726 1.00 0.00 H new ATOM 592 N PHE A 37 2.276 -21.868 -14.704 1.00 0.00 N ATOM 593 CA PHE A 37 1.147 -21.840 -13.743 1.00 0.00 C ATOM 594 C PHE A 37 1.070 -23.153 -12.925 1.00 0.00 C ATOM 595 O PHE A 37 0.056 -23.458 -12.287 1.00 0.00 O ATOM 596 CB PHE A 37 -0.173 -21.603 -14.479 1.00 0.00 C ATOM 597 CG PHE A 37 -1.288 -21.139 -13.585 1.00 0.00 C ATOM 598 CD1 PHE A 37 -1.423 -19.799 -13.258 1.00 0.00 C ATOM 599 CD2 PHE A 37 -2.205 -22.043 -13.071 1.00 0.00 C ATOM 600 CE1 PHE A 37 -2.449 -19.371 -12.436 1.00 0.00 C ATOM 601 CE2 PHE A 37 -3.233 -21.619 -12.251 1.00 0.00 C ATOM 602 CZ PHE A 37 -3.354 -20.282 -11.933 1.00 0.00 C ATOM 0 H PHE A 37 3.030 -21.224 -14.465 1.00 0.00 H new ATOM 0 HA PHE A 37 1.322 -21.018 -13.049 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.014 -20.861 -15.262 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.475 -22.527 -14.972 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.718 -19.081 -13.650 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.115 -23.091 -13.315 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.542 -18.324 -12.188 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.941 -22.334 -11.859 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.156 -19.949 -11.291 1.00 0.00 H new ATOM 612 N VAL A 38 2.172 -23.907 -12.920 1.00 0.00 N ATOM 613 CA VAL A 38 2.271 -25.177 -12.183 1.00 0.00 C ATOM 614 C VAL A 38 3.701 -25.400 -11.649 1.00 0.00 C ATOM 615 O VAL A 38 4.613 -24.629 -11.944 1.00 0.00 O ATOM 616 CB VAL A 38 1.868 -26.373 -13.065 1.00 0.00 C ATOM 617 CG1 VAL A 38 0.398 -26.279 -13.449 1.00 0.00 C ATOM 618 CG2 VAL A 38 2.739 -26.435 -14.311 1.00 0.00 C ATOM 0 H VAL A 38 3.022 -23.658 -13.425 1.00 0.00 H new ATOM 0 HA VAL A 38 1.580 -25.110 -11.343 1.00 0.00 H new ATOM 0 HB VAL A 38 2.019 -27.289 -12.493 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.130 -27.132 -14.072 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.214 -26.281 -12.547 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.225 -25.356 -14.003 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.440 -27.286 -14.922 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.619 -25.516 -14.885 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.783 -26.547 -14.020 1.00 0.00 H new ATOM 628 N THR A 39 3.896 -26.467 -10.874 1.00 0.00 N ATOM 629 CA THR A 39 5.229 -26.780 -10.329 1.00 0.00 C ATOM 630 C THR A 39 6.195 -27.337 -11.396 1.00 0.00 C ATOM 631 O THR A 39 6.008 -28.429 -11.932 1.00 0.00 O ATOM 632 CB THR A 39 5.128 -27.794 -9.174 1.00 0.00 C ATOM 633 OG1 THR A 39 4.353 -27.232 -8.107 1.00 0.00 O ATOM 634 CG2 THR A 39 6.512 -28.152 -8.656 1.00 0.00 C ATOM 0 H THR A 39 3.163 -27.125 -10.609 1.00 0.00 H new ATOM 0 HA THR A 39 5.632 -25.835 -9.964 1.00 0.00 H new ATOM 0 HB THR A 39 4.645 -28.698 -9.546 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.483 -26.942 -8.452 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.421 -28.869 -7.840 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.100 -28.592 -9.462 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.009 -27.252 -8.294 1.00 0.00 H new ATOM 642 N GLU A 40 7.220 -26.550 -11.721 1.00 0.00 N ATOM 643 CA GLU A 40 8.257 -26.954 -12.684 1.00 0.00 C ATOM 644 C GLU A 40 9.505 -27.497 -11.964 1.00 0.00 C ATOM 645 O GLU A 40 9.764 -27.148 -10.814 1.00 0.00 O ATOM 646 CB GLU A 40 8.639 -25.776 -13.585 1.00 0.00 C ATOM 647 CG GLU A 40 9.559 -26.141 -14.741 1.00 0.00 C ATOM 648 CD GLU A 40 8.987 -27.263 -15.562 1.00 0.00 C ATOM 649 OE1 GLU A 40 8.914 -28.360 -15.065 1.00 0.00 O ATOM 650 OE2 GLU A 40 8.517 -27.000 -16.644 1.00 0.00 O ATOM 0 H GLU A 40 7.359 -25.618 -11.330 1.00 0.00 H new ATOM 0 HA GLU A 40 7.846 -27.753 -13.301 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.728 -25.332 -13.988 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.124 -25.012 -12.977 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.715 -25.267 -15.374 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.535 -26.432 -14.353 1.00 0.00 H new ATOM 657 N ARG A 41 10.288 -28.342 -12.642 1.00 0.00 N ATOM 658 CA ARG A 41 11.536 -28.859 -12.063 1.00 0.00 C ATOM 659 C ARG A 41 12.308 -27.745 -11.344 1.00 0.00 C ATOM 660 O ARG A 41 12.644 -27.871 -10.170 1.00 0.00 O ATOM 661 CB ARG A 41 12.402 -29.563 -13.097 1.00 0.00 C ATOM 662 CG ARG A 41 13.720 -30.104 -12.565 1.00 0.00 C ATOM 663 CD ARG A 41 14.529 -30.841 -13.569 1.00 0.00 C ATOM 664 NE ARG A 41 15.888 -31.139 -13.146 1.00 0.00 N ATOM 665 CZ ARG A 41 16.731 -31.959 -13.804 1.00 0.00 C ATOM 666 NH1 ARG A 41 16.350 -32.593 -14.891 1.00 0.00 N ATOM 667 NH2 ARG A 41 17.946 -32.128 -13.313 1.00 0.00 N ATOM 0 H ARG A 41 10.085 -28.681 -13.582 1.00 0.00 H new ATOM 0 HA ARG A 41 11.263 -29.611 -11.323 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.833 -30.388 -13.525 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.613 -28.866 -13.908 1.00 0.00 H new ATOM 0 HG2 ARG A 41 14.311 -29.273 -12.179 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.514 -30.767 -11.724 1.00 0.00 H new ATOM 0 HD2 ARG A 41 14.023 -31.776 -13.809 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.568 -30.255 -14.487 1.00 0.00 H new ATOM 0 HE ARG A 41 16.227 -30.697 -12.292 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.403 -32.468 -15.249 1.00 0.00 H new ATOM 0 HH12 ARG A 41 17.001 -33.210 -15.376 1.00 0.00 H new ATOM 0 HH21 ARG A 41 18.223 -31.644 -12.459 1.00 0.00 H new ATOM 0 HH22 ARG A 41 18.607 -32.742 -13.788 1.00 0.00 H new ATOM 681 N GLU A 42 12.550 -26.640 -12.044 1.00 0.00 N ATOM 682 CA GLU A 42 13.334 -25.526 -11.494 1.00 0.00 C ATOM 683 C GLU A 42 12.592 -24.850 -10.321 1.00 0.00 C ATOM 684 O GLU A 42 13.207 -24.321 -9.398 1.00 0.00 O ATOM 685 CB GLU A 42 13.642 -24.500 -12.587 1.00 0.00 C ATOM 686 CG GLU A 42 14.646 -24.974 -13.628 1.00 0.00 C ATOM 687 CD GLU A 42 14.836 -23.948 -14.710 1.00 0.00 C ATOM 688 OE1 GLU A 42 14.163 -22.946 -14.677 1.00 0.00 O ATOM 689 OE2 GLU A 42 15.732 -24.111 -15.505 1.00 0.00 O ATOM 0 H GLU A 42 12.216 -26.487 -12.996 1.00 0.00 H new ATOM 0 HA GLU A 42 14.273 -25.930 -11.114 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.713 -24.234 -13.091 1.00 0.00 H new ATOM 0 HB3 GLU A 42 14.023 -23.592 -12.119 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.602 -25.180 -13.147 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.302 -25.910 -14.068 1.00 0.00 H new ATOM 696 N TYR A 43 11.262 -24.890 -10.377 1.00 0.00 N ATOM 697 CA TYR A 43 10.397 -24.303 -9.344 1.00 0.00 C ATOM 698 C TYR A 43 10.671 -24.906 -7.952 1.00 0.00 C ATOM 699 O TYR A 43 10.549 -24.217 -6.940 1.00 0.00 O ATOM 700 CB TYR A 43 8.934 -24.531 -9.759 1.00 0.00 C ATOM 701 CG TYR A 43 7.880 -23.769 -8.976 1.00 0.00 C ATOM 702 CD1 TYR A 43 7.554 -22.456 -9.306 1.00 0.00 C ATOM 703 CD2 TYR A 43 7.175 -24.383 -7.946 1.00 0.00 C ATOM 704 CE1 TYR A 43 6.558 -21.782 -8.629 1.00 0.00 C ATOM 705 CE2 TYR A 43 6.184 -23.706 -7.260 1.00 0.00 C ATOM 706 CZ TYR A 43 5.877 -22.409 -7.608 1.00 0.00 C ATOM 707 OH TYR A 43 4.878 -21.743 -6.942 1.00 0.00 O ATOM 0 H TYR A 43 10.748 -25.331 -11.140 1.00 0.00 H new ATOM 0 HA TYR A 43 10.607 -23.236 -9.265 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.833 -24.268 -10.812 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.718 -25.596 -9.675 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.088 -21.959 -10.102 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.405 -25.404 -7.678 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.313 -20.765 -8.899 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.653 -24.192 -6.455 1.00 0.00 H new ATOM 0 HH TYR A 43 4.145 -21.548 -7.562 1.00 0.00 H new ATOM 717 N TYR A 44 11.039 -26.193 -7.899 1.00 0.00 N ATOM 718 CA TYR A 44 11.359 -26.842 -6.610 1.00 0.00 C ATOM 719 C TYR A 44 12.776 -27.451 -6.563 1.00 0.00 C ATOM 720 O TYR A 44 13.195 -27.947 -5.520 1.00 0.00 O ATOM 721 CB TYR A 44 10.326 -27.929 -6.306 1.00 0.00 C ATOM 722 CG TYR A 44 10.438 -29.146 -7.197 1.00 0.00 C ATOM 723 CD1 TYR A 44 9.772 -29.202 -8.412 1.00 0.00 C ATOM 724 CD2 TYR A 44 11.207 -30.238 -6.818 1.00 0.00 C ATOM 725 CE1 TYR A 44 9.871 -30.311 -9.229 1.00 0.00 C ATOM 726 CE2 TYR A 44 11.312 -31.352 -7.628 1.00 0.00 C ATOM 727 CZ TYR A 44 10.642 -31.385 -8.834 1.00 0.00 C ATOM 728 OH TYR A 44 10.741 -32.493 -9.644 1.00 0.00 O ATOM 0 H TYR A 44 11.123 -26.800 -8.714 1.00 0.00 H new ATOM 0 HA TYR A 44 11.328 -26.058 -5.853 1.00 0.00 H new ATOM 0 HB2 TYR A 44 10.435 -28.240 -5.267 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.327 -27.506 -6.409 1.00 0.00 H new ATOM 0 HD1 TYR A 44 9.166 -28.365 -8.725 1.00 0.00 H new ATOM 0 HD2 TYR A 44 11.732 -30.216 -5.874 1.00 0.00 H new ATOM 0 HE1 TYR A 44 9.347 -30.338 -10.173 1.00 0.00 H new ATOM 0 HE2 TYR A 44 11.915 -32.193 -7.319 1.00 0.00 H new ATOM 0 HH TYR A 44 11.323 -33.158 -9.219 1.00 0.00 H new ATOM 738 N GLU A 45 13.511 -27.411 -7.677 1.00 0.00 N ATOM 739 CA GLU A 45 14.890 -27.936 -7.723 1.00 0.00 C ATOM 740 C GLU A 45 15.883 -27.057 -6.932 1.00 0.00 C ATOM 741 O GLU A 45 16.658 -27.558 -6.117 1.00 0.00 O ATOM 742 CB GLU A 45 15.356 -28.065 -9.175 1.00 0.00 C ATOM 743 CG GLU A 45 16.782 -28.573 -9.335 1.00 0.00 C ATOM 744 CD GLU A 45 17.124 -28.795 -10.782 1.00 0.00 C ATOM 745 OE1 GLU A 45 17.092 -27.849 -11.532 1.00 0.00 O ATOM 746 OE2 GLU A 45 17.525 -29.884 -11.116 1.00 0.00 O ATOM 0 H GLU A 45 13.181 -27.023 -8.561 1.00 0.00 H new ATOM 0 HA GLU A 45 14.874 -28.918 -7.250 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.682 -28.740 -9.702 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.274 -27.091 -9.658 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.477 -27.854 -8.901 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.902 -29.506 -8.784 1.00 0.00 H new ATOM 753 N ASP A 46 15.864 -25.751 -7.184 1.00 0.00 N ATOM 754 CA ASP A 46 16.696 -24.813 -6.419 1.00 0.00 C ATOM 755 C ASP A 46 15.966 -24.280 -5.176 1.00 0.00 C ATOM 756 O ASP A 46 16.504 -23.452 -4.430 1.00 0.00 O ATOM 757 CB ASP A 46 17.133 -23.646 -7.309 1.00 0.00 C ATOM 758 CG ASP A 46 18.161 -24.013 -8.370 1.00 0.00 C ATOM 759 OD1 ASP A 46 18.768 -25.051 -8.248 1.00 0.00 O ATOM 760 OD2 ASP A 46 18.221 -23.337 -9.369 1.00 0.00 O ATOM 0 H ASP A 46 15.288 -25.316 -7.905 1.00 0.00 H new ATOM 0 HA ASP A 46 17.575 -25.360 -6.078 1.00 0.00 H new ATOM 0 HB2 ASP A 46 16.253 -23.232 -7.801 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.546 -22.859 -6.678 1.00 0.00 H new ATOM 765 N PHE A 47 14.752 -24.767 -4.947 1.00 0.00 N ATOM 766 CA PHE A 47 13.901 -24.257 -3.867 1.00 0.00 C ATOM 767 C PHE A 47 13.565 -25.344 -2.830 1.00 0.00 C ATOM 768 O PHE A 47 13.902 -26.517 -2.999 1.00 0.00 O ATOM 769 CB PHE A 47 12.611 -23.671 -4.447 1.00 0.00 C ATOM 770 CG PHE A 47 12.833 -22.480 -5.336 1.00 0.00 C ATOM 771 CD1 PHE A 47 13.138 -22.646 -6.679 1.00 0.00 C ATOM 772 CD2 PHE A 47 12.739 -21.193 -4.830 1.00 0.00 C ATOM 773 CE1 PHE A 47 13.342 -21.550 -7.497 1.00 0.00 C ATOM 774 CE2 PHE A 47 12.941 -20.096 -5.646 1.00 0.00 C ATOM 775 CZ PHE A 47 13.243 -20.276 -6.981 1.00 0.00 C ATOM 0 H PHE A 47 14.330 -25.517 -5.494 1.00 0.00 H new ATOM 0 HA PHE A 47 14.461 -23.476 -3.353 1.00 0.00 H new ATOM 0 HB2 PHE A 47 12.094 -24.445 -5.014 1.00 0.00 H new ATOM 0 HB3 PHE A 47 11.953 -23.383 -3.627 1.00 0.00 H new ATOM 0 HD1 PHE A 47 13.217 -23.642 -7.090 1.00 0.00 H new ATOM 0 HD2 PHE A 47 12.505 -21.046 -3.786 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.579 -21.692 -8.541 1.00 0.00 H new ATOM 0 HE2 PHE A 47 12.863 -19.098 -5.239 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.401 -19.420 -7.620 1.00 0.00 H new ATOM 785 N GLY A 48 12.889 -24.946 -1.754 1.00 0.00 N ATOM 786 CA GLY A 48 12.401 -25.915 -0.775 1.00 0.00 C ATOM 787 C GLY A 48 12.207 -25.326 0.618 1.00 0.00 C ATOM 788 O GLY A 48 11.283 -25.707 1.339 1.00 0.00 O ATOM 0 H GLY A 48 12.669 -23.973 -1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.453 -26.325 -1.123 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.105 -26.745 -0.715 1.00 0.00 H new ATOM 792 N TYR A 49 13.072 -24.393 1.001 1.00 0.00 N ATOM 793 CA TYR A 49 12.990 -23.760 2.328 1.00 0.00 C ATOM 794 C TYR A 49 13.193 -22.241 2.248 1.00 0.00 C ATOM 795 O TYR A 49 14.086 -21.761 1.558 1.00 0.00 O ATOM 796 CB TYR A 49 14.018 -24.385 3.281 1.00 0.00 C ATOM 797 CG TYR A 49 13.762 -25.855 3.575 1.00 0.00 C ATOM 798 CD1 TYR A 49 14.297 -26.858 2.768 1.00 0.00 C ATOM 799 CD2 TYR A 49 12.977 -26.239 4.658 1.00 0.00 C ATOM 800 CE1 TYR A 49 14.057 -28.193 3.034 1.00 0.00 C ATOM 801 CE2 TYR A 49 12.734 -27.572 4.928 1.00 0.00 C ATOM 802 CZ TYR A 49 13.274 -28.544 4.114 1.00 0.00 C ATOM 803 OH TYR A 49 13.030 -29.872 4.382 1.00 0.00 O ATOM 0 H TYR A 49 13.838 -24.054 0.419 1.00 0.00 H new ATOM 0 HA TYR A 49 11.987 -23.939 2.717 1.00 0.00 H new ATOM 0 HB2 TYR A 49 15.013 -24.278 2.849 1.00 0.00 H new ATOM 0 HB3 TYR A 49 14.016 -23.830 4.219 1.00 0.00 H new ATOM 0 HD1 TYR A 49 14.909 -26.587 1.921 1.00 0.00 H new ATOM 0 HD2 TYR A 49 12.550 -25.482 5.299 1.00 0.00 H new ATOM 0 HE1 TYR A 49 14.480 -28.957 2.399 1.00 0.00 H new ATOM 0 HE2 TYR A 49 12.123 -27.851 5.774 1.00 0.00 H new ATOM 0 HH TYR A 49 12.168 -29.960 4.841 1.00 0.00 H new ATOM 813 N GLY A 50 12.361 -21.494 2.972 1.00 0.00 N ATOM 814 CA GLY A 50 12.469 -20.038 3.004 1.00 0.00 C ATOM 815 C GLY A 50 11.107 -19.358 2.933 1.00 0.00 C ATOM 816 O GLY A 50 10.083 -20.037 2.960 1.00 0.00 O ATOM 0 H GLY A 50 11.606 -21.873 3.543 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.978 -19.733 3.918 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.085 -19.703 2.169 1.00 0.00 H new ATOM 820 N GLU A 51 11.096 -18.026 2.829 1.00 0.00 N ATOM 821 CA GLU A 51 9.841 -17.248 2.783 1.00 0.00 C ATOM 822 C GLU A 51 8.791 -17.920 1.888 1.00 0.00 C ATOM 823 O GLU A 51 7.710 -18.277 2.342 1.00 0.00 O ATOM 824 CB GLU A 51 10.111 -15.824 2.290 1.00 0.00 C ATOM 825 CG GLU A 51 10.645 -14.880 3.357 1.00 0.00 C ATOM 826 CD GLU A 51 9.550 -14.426 4.281 1.00 0.00 C ATOM 827 OE1 GLU A 51 9.291 -15.108 5.245 1.00 0.00 O ATOM 828 OE2 GLU A 51 9.049 -13.343 4.091 1.00 0.00 O ATOM 0 H GLU A 51 11.941 -17.457 2.775 1.00 0.00 H new ATOM 0 HA GLU A 51 9.444 -17.208 3.798 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.826 -15.866 1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.187 -15.411 1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.424 -15.381 3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.106 -14.014 2.882 1.00 0.00 H new ATOM 835 N CYS A 52 9.125 -18.075 0.615 1.00 0.00 N ATOM 836 CA CYS A 52 8.358 -18.931 -0.293 1.00 0.00 C ATOM 837 C CYS A 52 9.280 -19.995 -0.902 1.00 0.00 C ATOM 838 O CYS A 52 9.458 -20.058 -2.118 1.00 0.00 O ATOM 839 CB CYS A 52 7.872 -17.952 -1.363 1.00 0.00 C ATOM 840 SG CYS A 52 6.806 -16.630 -0.740 1.00 0.00 S ATOM 0 H CYS A 52 9.927 -17.618 0.181 1.00 0.00 H new ATOM 0 HA CYS A 52 7.541 -19.468 0.189 1.00 0.00 H new ATOM 0 HB2 CYS A 52 8.739 -17.504 -1.849 1.00 0.00 H new ATOM 0 HB3 CYS A 52 7.330 -18.509 -2.128 1.00 0.00 H new ATOM 0 HG CYS A 52 7.402 -16.018 0.240 1.00 0.00 H new ATOM 846 N PHE A 53 9.904 -20.802 -0.034 1.00 0.00 N ATOM 847 CA PHE A 53 10.883 -21.824 -0.459 1.00 0.00 C ATOM 848 C PHE A 53 12.152 -21.199 -1.078 1.00 0.00 C ATOM 849 O PHE A 53 12.994 -21.911 -1.628 1.00 0.00 O ATOM 850 CB PHE A 53 10.253 -22.803 -1.471 1.00 0.00 C ATOM 851 CG PHE A 53 9.088 -23.621 -0.956 1.00 0.00 C ATOM 852 CD1 PHE A 53 8.569 -23.420 0.313 1.00 0.00 C ATOM 853 CD2 PHE A 53 8.505 -24.597 -1.761 1.00 0.00 C ATOM 854 CE1 PHE A 53 7.500 -24.171 0.764 1.00 0.00 C ATOM 855 CE2 PHE A 53 7.439 -25.345 -1.311 1.00 0.00 C ATOM 856 CZ PHE A 53 6.935 -25.131 -0.048 1.00 0.00 C ATOM 0 H PHE A 53 9.750 -20.770 0.974 1.00 0.00 H new ATOM 0 HA PHE A 53 11.175 -22.364 0.442 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.918 -22.234 -2.339 1.00 0.00 H new ATOM 0 HB3 PHE A 53 11.028 -23.487 -1.818 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.004 -22.669 0.956 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.895 -24.770 -2.753 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.106 -24.005 1.756 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.999 -26.098 -1.948 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.098 -25.714 0.306 1.00 0.00 H new ATOM 866 N ASN A 54 12.297 -19.880 -0.964 1.00 0.00 N ATOM 867 CA ASN A 54 13.321 -19.145 -1.715 1.00 0.00 C ATOM 868 C ASN A 54 14.581 -18.864 -0.873 1.00 0.00 C ATOM 869 O ASN A 54 14.637 -19.188 0.313 1.00 0.00 O ATOM 870 CB ASN A 54 12.763 -17.845 -2.265 1.00 0.00 C ATOM 871 CG ASN A 54 12.366 -16.859 -1.201 1.00 0.00 C ATOM 872 OD1 ASN A 54 13.095 -16.638 -0.228 1.00 0.00 O ATOM 873 ND2 ASN A 54 11.177 -16.328 -1.339 1.00 0.00 N ATOM 0 H ASN A 54 11.720 -19.296 -0.359 1.00 0.00 H new ATOM 0 HA ASN A 54 13.617 -19.787 -2.545 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.509 -17.385 -2.914 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.894 -18.066 -2.885 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.813 -15.699 -0.623 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.615 -16.543 -2.162 1.00 0.00 H new ATOM 880 N SER A 55 15.583 -18.241 -1.501 1.00 0.00 N ATOM 881 CA SER A 55 16.825 -17.848 -0.810 1.00 0.00 C ATOM 882 C SER A 55 16.911 -16.320 -0.657 1.00 0.00 C ATOM 883 O SER A 55 17.992 -15.733 -0.704 1.00 0.00 O ATOM 884 CB SER A 55 18.032 -18.372 -1.562 1.00 0.00 C ATOM 885 OG SER A 55 18.090 -17.880 -2.873 1.00 0.00 O ATOM 0 H SER A 55 15.562 -17.995 -2.491 1.00 0.00 H new ATOM 0 HA SER A 55 16.813 -18.287 0.187 1.00 0.00 H new ATOM 0 HB2 SER A 55 18.941 -18.091 -1.029 1.00 0.00 H new ATOM 0 HB3 SER A 55 18.000 -19.461 -1.585 1.00 0.00 H new ATOM 0 HG SER A 55 17.222 -18.009 -3.309 1.00 0.00 H new ATOM 891 N THR A 56 15.750 -15.691 -0.495 1.00 0.00 N ATOM 892 CA THR A 56 15.643 -14.237 -0.305 1.00 0.00 C ATOM 893 C THR A 56 15.331 -13.855 1.154 1.00 0.00 C ATOM 894 O THR A 56 14.475 -14.461 1.798 1.00 0.00 O ATOM 895 CB THR A 56 14.560 -13.636 -1.218 1.00 0.00 C ATOM 896 OG1 THR A 56 14.946 -13.792 -2.590 1.00 0.00 O ATOM 897 CG2 THR A 56 14.366 -12.158 -0.915 1.00 0.00 C ATOM 0 H THR A 56 14.851 -16.172 -0.491 1.00 0.00 H new ATOM 0 HA THR A 56 16.618 -13.827 -0.568 1.00 0.00 H new ATOM 0 HB THR A 56 13.622 -14.160 -1.036 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.169 -14.731 -2.762 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.596 -11.750 -1.570 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.059 -12.037 0.124 1.00 0.00 H new ATOM 0 HG23 THR A 56 15.303 -11.626 -1.081 1.00 0.00 H new ATOM 905 N GLU A 57 16.033 -12.838 1.663 1.00 0.00 N ATOM 906 CA GLU A 57 15.855 -12.356 3.044 1.00 0.00 C ATOM 907 C GLU A 57 14.377 -12.141 3.437 1.00 0.00 C ATOM 908 O GLU A 57 13.625 -11.448 2.743 1.00 0.00 O ATOM 909 CB GLU A 57 16.633 -11.053 3.241 1.00 0.00 C ATOM 910 CG GLU A 57 16.563 -10.486 4.653 1.00 0.00 C ATOM 911 CD GLU A 57 17.387 -9.235 4.780 1.00 0.00 C ATOM 912 OE1 GLU A 57 18.043 -8.879 3.832 1.00 0.00 O ATOM 913 OE2 GLU A 57 17.273 -8.573 5.785 1.00 0.00 O ATOM 0 H GLU A 57 16.739 -12.325 1.135 1.00 0.00 H new ATOM 0 HA GLU A 57 16.242 -13.138 3.697 1.00 0.00 H new ATOM 0 HB2 GLU A 57 17.678 -11.225 2.983 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.251 -10.307 2.544 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.526 -10.269 4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.918 -11.232 5.365 1.00 0.00 H new ATOM 920 N SER A 58 13.969 -12.760 4.543 1.00 0.00 N ATOM 921 CA SER A 58 12.613 -12.589 5.084 1.00 0.00 C ATOM 922 C SER A 58 12.346 -11.123 5.472 1.00 0.00 C ATOM 923 O SER A 58 12.873 -10.633 6.474 1.00 0.00 O ATOM 924 CB SER A 58 12.414 -13.499 6.281 1.00 0.00 C ATOM 925 OG SER A 58 11.119 -13.398 6.808 1.00 0.00 O ATOM 0 H SER A 58 14.559 -13.389 5.088 1.00 0.00 H new ATOM 0 HA SER A 58 11.899 -12.861 4.306 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.607 -14.531 5.988 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.140 -13.246 7.053 1.00 0.00 H new ATOM 0 HG SER A 58 10.917 -14.198 7.336 1.00 0.00 H new ATOM 931 N GLU A 59 11.513 -10.427 4.691 1.00 0.00 N ATOM 932 CA GLU A 59 11.159 -9.032 5.008 1.00 0.00 C ATOM 933 C GLU A 59 9.642 -8.810 5.186 1.00 0.00 C ATOM 934 O GLU A 59 9.222 -7.847 5.837 1.00 0.00 O ATOM 935 CB GLU A 59 11.690 -8.101 3.914 1.00 0.00 C ATOM 936 CG GLU A 59 13.207 -8.064 3.800 1.00 0.00 C ATOM 937 CD GLU A 59 13.650 -7.155 2.689 1.00 0.00 C ATOM 938 OE1 GLU A 59 12.807 -6.557 2.064 1.00 0.00 O ATOM 939 OE2 GLU A 59 14.834 -6.970 2.536 1.00 0.00 O ATOM 0 H GLU A 59 11.075 -10.796 3.847 1.00 0.00 H new ATOM 0 HA GLU A 59 11.625 -8.803 5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.274 -8.412 2.956 1.00 0.00 H new ATOM 0 HB3 GLU A 59 11.328 -7.091 4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 59 13.636 -7.725 4.743 1.00 0.00 H new ATOM 0 HG3 GLU A 59 13.585 -9.071 3.621 1.00 0.00 H new ATOM 946 N VAL A 60 8.822 -9.703 4.634 1.00 0.00 N ATOM 947 CA VAL A 60 7.355 -9.568 4.725 1.00 0.00 C ATOM 948 C VAL A 60 6.700 -10.748 5.487 1.00 0.00 C ATOM 949 O VAL A 60 5.491 -10.758 5.734 1.00 0.00 O ATOM 950 CB VAL A 60 6.722 -9.462 3.326 1.00 0.00 C ATOM 951 CG1 VAL A 60 7.209 -8.208 2.613 1.00 0.00 C ATOM 952 CG2 VAL A 60 7.041 -10.699 2.500 1.00 0.00 C ATOM 0 H VAL A 60 9.138 -10.526 4.120 1.00 0.00 H new ATOM 0 HA VAL A 60 7.168 -8.652 5.285 1.00 0.00 H new ATOM 0 HB VAL A 60 5.640 -9.395 3.444 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.751 -8.150 1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.932 -7.328 3.194 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.293 -8.247 2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.585 -10.606 1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.121 -10.796 2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.645 -11.583 3.001 1.00 0.00 H new ATOM 962 N GLN A 61 7.528 -11.729 5.864 1.00 0.00 N ATOM 963 CA GLN A 61 7.121 -12.882 6.701 1.00 0.00 C ATOM 964 C GLN A 61 6.173 -13.867 5.984 1.00 0.00 C ATOM 965 O GLN A 61 5.228 -14.383 6.587 1.00 0.00 O ATOM 966 CB GLN A 61 6.445 -12.381 7.981 1.00 0.00 C ATOM 967 CG GLN A 61 7.332 -11.509 8.852 1.00 0.00 C ATOM 968 CD GLN A 61 6.648 -11.092 10.141 1.00 0.00 C ATOM 969 OE1 GLN A 61 5.460 -11.361 10.344 1.00 0.00 O ATOM 970 NE2 GLN A 61 7.392 -10.429 11.017 1.00 0.00 N ATOM 0 H GLN A 61 8.512 -11.752 5.598 1.00 0.00 H new ATOM 0 HA GLN A 61 8.036 -13.429 6.928 1.00 0.00 H new ATOM 0 HB2 GLN A 61 5.553 -11.817 7.710 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.114 -13.240 8.564 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.248 -12.050 9.089 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.622 -10.619 8.294 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.370 -10.229 10.807 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.986 -10.120 11.900 1.00 0.00 H new ATOM 979 N CYS A 62 6.449 -14.163 4.714 1.00 0.00 N ATOM 980 CA CYS A 62 5.703 -15.206 3.992 1.00 0.00 C ATOM 981 C CYS A 62 5.852 -16.571 4.674 1.00 0.00 C ATOM 982 O CYS A 62 4.954 -17.410 4.596 1.00 0.00 O ATOM 983 CB CYS A 62 6.376 -15.216 2.619 1.00 0.00 C ATOM 984 SG CYS A 62 6.057 -13.742 1.619 1.00 0.00 S ATOM 0 H CYS A 62 7.175 -13.704 4.164 1.00 0.00 H new ATOM 0 HA CYS A 62 4.631 -15.013 3.953 1.00 0.00 H new ATOM 0 HB2 CYS A 62 7.452 -15.321 2.756 1.00 0.00 H new ATOM 0 HB3 CYS A 62 6.038 -16.094 2.068 1.00 0.00 H new ATOM 0 HG CYS A 62 4.852 -13.799 1.134 1.00 0.00 H new ATOM 990 N GLU A 63 6.978 -16.783 5.366 1.00 0.00 N ATOM 991 CA GLU A 63 7.214 -18.048 6.084 1.00 0.00 C ATOM 992 C GLU A 63 6.069 -18.359 7.075 1.00 0.00 C ATOM 993 O GLU A 63 5.853 -19.509 7.461 1.00 0.00 O ATOM 994 CB GLU A 63 8.551 -17.997 6.825 1.00 0.00 C ATOM 995 CG GLU A 63 8.623 -16.946 7.924 1.00 0.00 C ATOM 996 CD GLU A 63 10.020 -16.811 8.460 1.00 0.00 C ATOM 997 OE1 GLU A 63 10.570 -17.797 8.889 1.00 0.00 O ATOM 998 OE2 GLU A 63 10.581 -15.747 8.340 1.00 0.00 O ATOM 0 H GLU A 63 7.735 -16.104 5.446 1.00 0.00 H new ATOM 0 HA GLU A 63 7.245 -18.848 5.344 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.747 -18.976 7.262 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.345 -17.805 6.103 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.287 -15.985 7.534 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.945 -17.216 8.734 1.00 0.00 H new ATOM 1005 N LEU A 64 5.356 -17.320 7.492 1.00 0.00 N ATOM 1006 CA LEU A 64 4.176 -17.457 8.344 1.00 0.00 C ATOM 1007 C LEU A 64 2.955 -16.874 7.614 1.00 0.00 C ATOM 1008 O LEU A 64 2.144 -17.612 7.055 1.00 0.00 O ATOM 1009 CB LEU A 64 4.396 -16.756 9.691 1.00 0.00 C ATOM 1010 CG LEU A 64 5.481 -17.377 10.579 1.00 0.00 C ATOM 1011 CD1 LEU A 64 5.704 -16.511 11.812 1.00 0.00 C ATOM 1012 CD2 LEU A 64 5.069 -18.786 10.977 1.00 0.00 C ATOM 0 H LEU A 64 5.579 -16.355 7.249 1.00 0.00 H new ATOM 0 HA LEU A 64 3.998 -18.513 8.548 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.655 -15.714 9.503 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.455 -16.756 10.241 1.00 0.00 H new ATOM 0 HG LEU A 64 6.418 -17.430 10.025 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.476 -16.960 12.437 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.020 -15.514 11.504 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.776 -16.438 12.378 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.841 -19.226 11.608 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.129 -18.748 11.527 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.942 -19.394 10.082 1.00 0.00 H new ATOM 1024 N ILE A 65 2.855 -15.539 7.624 1.00 0.00 N ATOM 1025 CA ILE A 65 1.758 -14.808 6.974 1.00 0.00 C ATOM 1026 C ILE A 65 2.157 -13.339 6.721 1.00 0.00 C ATOM 1027 O ILE A 65 2.780 -12.692 7.565 1.00 0.00 O ATOM 1028 CB ILE A 65 0.472 -14.848 7.819 1.00 0.00 C ATOM 1029 CG1 ILE A 65 -0.700 -14.250 7.036 1.00 0.00 C ATOM 1030 CG2 ILE A 65 0.674 -14.105 9.131 1.00 0.00 C ATOM 1031 CD1 ILE A 65 -2.056 -14.613 7.596 1.00 0.00 C ATOM 0 H ILE A 65 3.534 -14.933 8.084 1.00 0.00 H new ATOM 0 HA ILE A 65 1.563 -15.301 6.022 1.00 0.00 H new ATOM 0 HB ILE A 65 0.239 -15.888 8.046 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.601 -13.165 7.024 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.643 -14.587 6.001 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.245 -14.143 9.716 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.482 -14.573 9.693 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.930 -13.066 8.925 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.835 -14.153 6.989 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.177 -15.696 7.582 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.135 -14.252 8.621 1.00 0.00 H new ATOM 1043 N THR A 66 1.796 -12.814 5.548 1.00 0.00 N ATOM 1044 CA THR A 66 2.172 -11.441 5.156 1.00 0.00 C ATOM 1045 C THR A 66 1.032 -10.437 5.431 1.00 0.00 C ATOM 1046 O THR A 66 1.250 -9.228 5.505 1.00 0.00 O ATOM 1047 CB THR A 66 2.555 -11.369 3.666 1.00 0.00 C ATOM 1048 OG1 THR A 66 1.413 -11.690 2.861 1.00 0.00 O ATOM 1049 CG2 THR A 66 3.680 -12.345 3.357 1.00 0.00 C ATOM 0 H THR A 66 1.245 -13.313 4.850 1.00 0.00 H new ATOM 0 HA THR A 66 3.036 -11.171 5.764 1.00 0.00 H new ATOM 0 HB THR A 66 2.894 -10.358 3.441 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.708 -11.955 1.965 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.938 -12.280 2.300 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.554 -12.096 3.959 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.356 -13.359 3.590 1.00 0.00 H new ATOM 1057 N GLY A 67 -0.186 -10.948 5.592 1.00 0.00 N ATOM 1058 CA GLY A 67 -1.383 -10.122 5.463 1.00 0.00 C ATOM 1059 C GLY A 67 -2.021 -10.159 4.073 1.00 0.00 C ATOM 1060 O GLY A 67 -3.194 -9.809 3.914 1.00 0.00 O ATOM 0 H GLY A 67 -0.370 -11.927 5.811 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.119 -10.450 6.197 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.128 -9.091 5.706 1.00 0.00 H new ATOM 1064 N GLU A 68 -1.254 -10.594 3.074 1.00 0.00 N ATOM 1065 CA GLU A 68 -1.787 -10.855 1.730 1.00 0.00 C ATOM 1066 C GLU A 68 -2.186 -12.324 1.503 1.00 0.00 C ATOM 1067 O GLU A 68 -2.889 -12.636 0.543 1.00 0.00 O ATOM 1068 CB GLU A 68 -0.760 -10.432 0.676 1.00 0.00 C ATOM 1069 CG GLU A 68 -0.356 -8.966 0.743 1.00 0.00 C ATOM 1070 CD GLU A 68 -1.528 -8.065 0.467 1.00 0.00 C ATOM 1071 OE1 GLU A 68 -2.025 -8.087 -0.633 1.00 0.00 O ATOM 1072 OE2 GLU A 68 -1.999 -7.438 1.387 1.00 0.00 O ATOM 0 H GLU A 68 -0.255 -10.775 3.168 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.699 -10.265 1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.132 -11.048 0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.167 -10.639 -0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.053 -8.744 1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.435 -8.771 0.019 1.00 0.00 H new ATOM 1079 N PHE A 69 -1.727 -13.220 2.374 1.00 0.00 N ATOM 1080 CA PHE A 69 -2.041 -14.656 2.252 1.00 0.00 C ATOM 1081 C PHE A 69 -3.249 -15.073 3.114 1.00 0.00 C ATOM 1082 O PHE A 69 -3.326 -16.213 3.580 1.00 0.00 O ATOM 1083 CB PHE A 69 -0.819 -15.493 2.632 1.00 0.00 C ATOM 1084 CG PHE A 69 0.354 -15.306 1.713 1.00 0.00 C ATOM 1085 CD1 PHE A 69 0.168 -14.884 0.405 1.00 0.00 C ATOM 1086 CD2 PHE A 69 1.646 -15.552 2.154 1.00 0.00 C ATOM 1087 CE1 PHE A 69 1.247 -14.713 -0.442 1.00 0.00 C ATOM 1088 CE2 PHE A 69 2.727 -15.380 1.310 1.00 0.00 C ATOM 1089 CZ PHE A 69 2.525 -14.960 0.010 1.00 0.00 C ATOM 0 H PHE A 69 -1.137 -12.986 3.173 1.00 0.00 H new ATOM 0 HA PHE A 69 -2.308 -14.838 1.211 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.517 -15.238 3.648 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.099 -16.546 2.638 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.831 -14.687 0.044 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.809 -15.882 3.169 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.088 -14.386 -1.459 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.728 -15.574 1.667 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.368 -14.825 -0.652 1.00 0.00 H new ATOM 1099 N ASP A 70 -4.182 -14.144 3.326 1.00 0.00 N ATOM 1100 CA ASP A 70 -5.374 -14.395 4.148 1.00 0.00 C ATOM 1101 C ASP A 70 -6.390 -15.299 3.402 1.00 0.00 C ATOM 1102 O ASP A 70 -6.945 -14.903 2.375 1.00 0.00 O ATOM 1103 CB ASP A 70 -6.031 -13.070 4.544 1.00 0.00 C ATOM 1104 CG ASP A 70 -7.269 -13.221 5.419 1.00 0.00 C ATOM 1105 OD1 ASP A 70 -7.710 -14.330 5.605 1.00 0.00 O ATOM 1106 OD2 ASP A 70 -7.668 -12.251 6.018 1.00 0.00 O ATOM 0 H ASP A 70 -4.137 -13.202 2.937 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.059 -14.919 5.051 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.299 -12.459 5.072 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.304 -12.528 3.638 1.00 0.00 H new ATOM 1111 N PRO A 71 -6.651 -16.524 3.918 1.00 0.00 N ATOM 1112 CA PRO A 71 -7.640 -17.464 3.327 1.00 0.00 C ATOM 1113 C PRO A 71 -9.060 -16.886 3.105 1.00 0.00 C ATOM 1114 O PRO A 71 -9.794 -17.375 2.242 1.00 0.00 O ATOM 1115 CB PRO A 71 -7.664 -18.616 4.335 1.00 0.00 C ATOM 1116 CG PRO A 71 -6.320 -18.576 4.978 1.00 0.00 C ATOM 1117 CD PRO A 71 -5.980 -17.114 5.104 1.00 0.00 C ATOM 0 HA PRO A 71 -7.344 -17.744 2.316 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.459 -18.485 5.069 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.840 -19.572 3.842 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -6.337 -19.061 5.954 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -5.580 -19.101 4.374 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.355 -16.689 6.035 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.903 -16.945 5.087 1.00 0.00 H new ATOM 1125 N LYS A 72 -9.455 -15.866 3.867 1.00 0.00 N ATOM 1126 CA LYS A 72 -10.788 -15.259 3.705 1.00 0.00 C ATOM 1127 C LYS A 72 -10.835 -14.349 2.459 1.00 0.00 C ATOM 1128 O LYS A 72 -11.901 -14.119 1.886 1.00 0.00 O ATOM 1129 CB LYS A 72 -11.171 -14.466 4.954 1.00 0.00 C ATOM 1130 CG LYS A 72 -11.407 -15.318 6.193 1.00 0.00 C ATOM 1131 CD LYS A 72 -11.774 -14.461 7.395 1.00 0.00 C ATOM 1132 CE LYS A 72 -12.021 -15.313 8.631 1.00 0.00 C ATOM 1133 NZ LYS A 72 -12.374 -14.486 9.816 1.00 0.00 N ATOM 0 H LYS A 72 -8.882 -15.442 4.597 1.00 0.00 H new ATOM 0 HA LYS A 72 -11.509 -16.065 3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.381 -13.746 5.168 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.075 -13.895 4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.205 -16.034 5.997 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.509 -15.895 6.416 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.972 -13.751 7.596 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.667 -13.878 7.169 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.826 -16.020 8.429 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.129 -15.900 8.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.534 -15.105 10.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.596 -13.829 10.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.240 -13.945 9.616 1.00 0.00 H new ATOM 1147 N LEU A 73 -9.678 -13.824 2.055 1.00 0.00 N ATOM 1148 CA LEU A 73 -9.609 -12.868 0.937 1.00 0.00 C ATOM 1149 C LEU A 73 -9.095 -13.531 -0.354 1.00 0.00 C ATOM 1150 O LEU A 73 -9.376 -13.055 -1.454 1.00 0.00 O ATOM 1151 CB LEU A 73 -8.712 -11.682 1.317 1.00 0.00 C ATOM 1152 CG LEU A 73 -9.174 -10.881 2.540 1.00 0.00 C ATOM 1153 CD1 LEU A 73 -8.162 -9.790 2.862 1.00 0.00 C ATOM 1154 CD2 LEU A 73 -10.545 -10.280 2.267 1.00 0.00 C ATOM 0 H LEU A 73 -8.776 -14.040 2.480 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.620 -12.512 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.705 -12.054 1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.648 -11.007 0.463 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.247 -11.544 3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.499 -9.227 3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.194 -10.243 3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.068 -9.118 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.873 -9.711 3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.487 -9.619 1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.259 -11.079 2.066 1.00 0.00 H new ATOM 1166 N LEU A 74 -8.343 -14.620 -0.219 1.00 0.00 N ATOM 1167 CA LEU A 74 -7.846 -15.365 -1.384 1.00 0.00 C ATOM 1168 C LEU A 74 -8.788 -16.541 -1.714 1.00 0.00 C ATOM 1169 O LEU A 74 -8.902 -17.488 -0.931 1.00 0.00 O ATOM 1170 CB LEU A 74 -6.420 -15.869 -1.126 1.00 0.00 C ATOM 1171 CG LEU A 74 -5.882 -16.862 -2.164 1.00 0.00 C ATOM 1172 CD1 LEU A 74 -5.775 -16.189 -3.525 1.00 0.00 C ATOM 1173 CD2 LEU A 74 -4.525 -17.383 -1.712 1.00 0.00 C ATOM 0 H LEU A 74 -8.062 -15.010 0.681 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.824 -14.694 -2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.750 -15.010 -1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.391 -16.342 -0.144 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.570 -17.703 -2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.392 -16.903 -4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.760 -15.843 -3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.096 -15.339 -3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.142 -18.089 -2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.830 -16.549 -1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.630 -17.885 -0.750 1.00 0.00 H new ATOM 1185 N PRO A 75 -9.478 -16.493 -2.874 1.00 0.00 N ATOM 1186 CA PRO A 75 -10.251 -17.639 -3.393 1.00 0.00 C ATOM 1187 C PRO A 75 -9.372 -18.845 -3.766 1.00 0.00 C ATOM 1188 O PRO A 75 -8.249 -18.692 -4.246 1.00 0.00 O ATOM 1189 CB PRO A 75 -10.970 -17.064 -4.618 1.00 0.00 C ATOM 1190 CG PRO A 75 -10.076 -15.971 -5.094 1.00 0.00 C ATOM 1191 CD PRO A 75 -9.497 -15.356 -3.847 1.00 0.00 C ATOM 0 HA PRO A 75 -10.932 -18.039 -2.642 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.114 -17.823 -5.387 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -11.958 -16.684 -4.357 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -9.290 -16.360 -5.741 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.631 -15.234 -5.674 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -8.496 -14.960 -4.022 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -10.108 -14.529 -3.486 1.00 0.00 H new ATOM 1199 N TYR A 76 -9.888 -20.055 -3.550 1.00 0.00 N ATOM 1200 CA TYR A 76 -9.082 -21.264 -3.739 1.00 0.00 C ATOM 1201 C TYR A 76 -9.675 -22.212 -4.795 1.00 0.00 C ATOM 1202 O TYR A 76 -10.668 -22.900 -4.558 1.00 0.00 O ATOM 1203 CB TYR A 76 -8.927 -22.001 -2.407 1.00 0.00 C ATOM 1204 CG TYR A 76 -8.067 -21.273 -1.399 1.00 0.00 C ATOM 1205 CD1 TYR A 76 -6.697 -21.164 -1.582 1.00 0.00 C ATOM 1206 CD2 TYR A 76 -8.627 -20.699 -0.268 1.00 0.00 C ATOM 1207 CE1 TYR A 76 -5.905 -20.499 -0.664 1.00 0.00 C ATOM 1208 CE2 TYR A 76 -7.845 -20.032 0.657 1.00 0.00 C ATOM 1209 CZ TYR A 76 -6.483 -19.934 0.455 1.00 0.00 C ATOM 1210 OH TYR A 76 -5.700 -19.273 1.372 1.00 0.00 O ATOM 0 H TYR A 76 -10.847 -20.225 -3.248 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.106 -20.945 -4.105 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.915 -22.164 -1.976 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -8.495 -22.984 -2.595 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.241 -21.606 -2.456 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.692 -20.774 -0.107 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.839 -20.422 -0.822 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.297 -19.590 1.533 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.764 -19.297 1.081 1.00 0.00 H new ATOM 1220 N ASP A 77 -9.065 -22.218 -5.976 1.00 0.00 N ATOM 1221 CA ASP A 77 -9.351 -23.229 -6.999 1.00 0.00 C ATOM 1222 C ASP A 77 -8.461 -24.459 -6.756 1.00 0.00 C ATOM 1223 O ASP A 77 -7.540 -24.397 -5.947 1.00 0.00 O ATOM 1224 CB ASP A 77 -9.125 -22.667 -8.405 1.00 0.00 C ATOM 1225 CG ASP A 77 -9.886 -23.398 -9.504 1.00 0.00 C ATOM 1226 OD1 ASP A 77 -10.499 -24.397 -9.212 1.00 0.00 O ATOM 1227 OD2 ASP A 77 -9.977 -22.870 -10.586 1.00 0.00 O ATOM 0 H ASP A 77 -8.364 -21.531 -6.253 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.399 -23.521 -6.928 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.417 -21.617 -8.415 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.059 -22.704 -8.631 1.00 0.00 H new ATOM 1232 N LYS A 78 -8.716 -25.563 -7.457 1.00 0.00 N ATOM 1233 CA LYS A 78 -7.937 -26.797 -7.263 1.00 0.00 C ATOM 1234 C LYS A 78 -6.428 -26.561 -7.508 1.00 0.00 C ATOM 1235 O LYS A 78 -5.594 -26.767 -6.616 1.00 0.00 O ATOM 1236 CB LYS A 78 -8.453 -27.901 -8.188 1.00 0.00 C ATOM 1237 CG LYS A 78 -7.713 -29.226 -8.061 1.00 0.00 C ATOM 1238 CD LYS A 78 -8.302 -30.280 -8.986 1.00 0.00 C ATOM 1239 CE LYS A 78 -7.542 -31.594 -8.884 1.00 0.00 C ATOM 1240 NZ LYS A 78 -8.097 -32.630 -9.796 1.00 0.00 N ATOM 0 H LYS A 78 -9.450 -25.634 -8.162 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.063 -27.109 -6.226 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.510 -28.068 -7.980 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.382 -27.556 -9.220 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.659 -29.080 -8.297 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.763 -29.575 -7.030 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.350 -30.443 -8.734 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.274 -29.920 -10.015 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.492 -31.425 -9.123 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.581 -31.957 -7.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.551 -33.509 -9.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.092 -32.810 -9.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.037 -32.295 -10.779 1.00 0.00 H new ATOM 1254 N ARG A 79 -6.092 -26.082 -8.707 1.00 0.00 N ATOM 1255 CA ARG A 79 -4.690 -25.876 -9.091 1.00 0.00 C ATOM 1256 C ARG A 79 -4.109 -24.613 -8.445 1.00 0.00 C ATOM 1257 O ARG A 79 -2.947 -24.599 -8.024 1.00 0.00 O ATOM 1258 CB ARG A 79 -4.508 -25.861 -10.602 1.00 0.00 C ATOM 1259 CG ARG A 79 -4.715 -27.203 -11.284 1.00 0.00 C ATOM 1260 CD ARG A 79 -4.664 -27.150 -12.768 1.00 0.00 C ATOM 1261 NE ARG A 79 -4.887 -28.427 -13.425 1.00 0.00 N ATOM 1262 CZ ARG A 79 -5.054 -28.585 -14.752 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -5.062 -27.551 -15.563 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -5.235 -29.810 -15.217 1.00 0.00 N ATOM 0 H ARG A 79 -6.767 -25.829 -9.428 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.129 -26.729 -8.710 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -5.205 -25.141 -11.030 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.503 -25.506 -10.829 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.953 -27.898 -10.931 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.681 -27.607 -10.980 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.412 -26.439 -13.119 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.691 -26.765 -13.072 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.919 -29.262 -12.840 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.940 -26.609 -15.190 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -5.190 -27.690 -16.565 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -5.245 -30.603 -14.575 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.364 -29.962 -16.217 1.00 0.00 H new ATOM 1278 N LEU A 80 -4.915 -23.555 -8.379 1.00 0.00 N ATOM 1279 CA LEU A 80 -4.530 -22.315 -7.692 1.00 0.00 C ATOM 1280 C LEU A 80 -4.107 -22.590 -6.239 1.00 0.00 C ATOM 1281 O LEU A 80 -2.975 -22.295 -5.842 1.00 0.00 O ATOM 1282 CB LEU A 80 -5.687 -21.309 -7.730 1.00 0.00 C ATOM 1283 CG LEU A 80 -5.414 -19.973 -7.029 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -4.309 -19.218 -7.756 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -6.693 -19.148 -6.988 1.00 0.00 C ATOM 0 H LEU A 80 -5.846 -23.528 -8.795 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.673 -21.891 -8.215 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.940 -21.110 -8.771 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.563 -21.769 -7.272 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.085 -20.160 -6.007 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.122 -18.270 -7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.398 -19.816 -7.754 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.615 -19.026 -8.784 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.498 -18.199 -6.489 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.037 -18.960 -8.005 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.461 -19.694 -6.440 1.00 0.00 H new ATOM 1297 N ALA A 81 -5.013 -23.188 -5.464 1.00 0.00 N ATOM 1298 CA ALA A 81 -4.748 -23.498 -4.056 1.00 0.00 C ATOM 1299 C ALA A 81 -3.512 -24.383 -3.883 1.00 0.00 C ATOM 1300 O ALA A 81 -2.635 -24.063 -3.085 1.00 0.00 O ATOM 1301 CB ALA A 81 -5.958 -24.158 -3.408 1.00 0.00 C ATOM 0 H ALA A 81 -5.939 -23.468 -5.787 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.550 -22.550 -3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.737 -24.378 -2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.813 -23.484 -3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.192 -25.084 -3.933 1.00 0.00 H new ATOM 1307 N TRP A 82 -3.432 -25.484 -4.642 1.00 0.00 N ATOM 1308 CA TRP A 82 -2.344 -26.453 -4.451 1.00 0.00 C ATOM 1309 C TRP A 82 -0.967 -25.794 -4.602 1.00 0.00 C ATOM 1310 O TRP A 82 -0.179 -25.781 -3.665 1.00 0.00 O ATOM 1311 CB TRP A 82 -2.481 -27.608 -5.445 1.00 0.00 C ATOM 1312 CG TRP A 82 -1.387 -28.626 -5.333 1.00 0.00 C ATOM 1313 CD1 TRP A 82 -0.510 -28.771 -4.300 1.00 0.00 C ATOM 1314 CD2 TRP A 82 -1.054 -29.642 -6.288 1.00 0.00 C ATOM 1315 NE1 TRP A 82 0.349 -29.812 -4.550 1.00 0.00 N ATOM 1316 CE2 TRP A 82 0.034 -30.364 -5.767 1.00 0.00 C ATOM 1317 CE3 TRP A 82 -1.573 -30.009 -7.536 1.00 0.00 C ATOM 1318 CZ2 TRP A 82 0.614 -31.425 -6.442 1.00 0.00 C ATOM 1319 CZ3 TRP A 82 -0.992 -31.075 -8.213 1.00 0.00 C ATOM 1320 CH2 TRP A 82 0.069 -31.763 -7.681 1.00 0.00 C ATOM 0 H TRP A 82 -4.094 -25.724 -5.380 1.00 0.00 H new ATOM 0 HA TRP A 82 -2.422 -26.840 -3.435 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -3.441 -28.100 -5.289 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -2.490 -27.206 -6.458 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -0.493 -28.156 -3.413 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.099 -30.124 -3.933 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -2.408 -29.474 -7.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 1.451 -31.967 -6.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -1.383 -31.367 -9.176 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.493 -32.587 -8.235 1.00 0.00 H new ATOM 1331 N HIS A 83 -0.696 -25.223 -5.772 1.00 0.00 N ATOM 1332 CA HIS A 83 0.645 -24.711 -6.084 1.00 0.00 C ATOM 1333 C HIS A 83 0.942 -23.398 -5.351 1.00 0.00 C ATOM 1334 O HIS A 83 1.981 -23.264 -4.712 1.00 0.00 O ATOM 1335 CB HIS A 83 0.803 -24.509 -7.594 1.00 0.00 C ATOM 1336 CG HIS A 83 0.625 -25.763 -8.391 1.00 0.00 C ATOM 1337 ND1 HIS A 83 1.584 -26.753 -8.444 1.00 0.00 N ATOM 1338 CD2 HIS A 83 -0.400 -26.190 -9.167 1.00 0.00 C ATOM 1339 CE1 HIS A 83 1.156 -27.735 -9.220 1.00 0.00 C ATOM 1340 NE2 HIS A 83 -0.044 -27.417 -9.670 1.00 0.00 N ATOM 0 H HIS A 83 -1.379 -25.101 -6.519 1.00 0.00 H new ATOM 0 HA HIS A 83 1.362 -25.456 -5.740 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.077 -23.769 -7.930 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.793 -24.099 -7.795 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.324 -25.664 -9.355 1.00 0.00 H new ATOM 0 HE1 HIS A 83 1.696 -28.642 -9.447 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -0.615 -27.991 -10.291 1.00 0.00 H new ATOM 1345 N PHE A 84 0.026 -22.439 -5.424 1.00 0.00 N ATOM 1346 CA PHE A 84 0.249 -21.125 -4.809 1.00 0.00 C ATOM 1347 C PHE A 84 0.362 -21.210 -3.269 1.00 0.00 C ATOM 1348 O PHE A 84 1.347 -20.756 -2.685 1.00 0.00 O ATOM 1349 CB PHE A 84 -0.861 -20.154 -5.230 1.00 0.00 C ATOM 1350 CG PHE A 84 -0.788 -19.736 -6.687 1.00 0.00 C ATOM 1351 CD1 PHE A 84 -0.797 -20.683 -7.706 1.00 0.00 C ATOM 1352 CD2 PHE A 84 -0.714 -18.392 -7.034 1.00 0.00 C ATOM 1353 CE1 PHE A 84 -0.735 -20.298 -9.032 1.00 0.00 C ATOM 1354 CE2 PHE A 84 -0.651 -18.005 -8.360 1.00 0.00 C ATOM 1355 CZ PHE A 84 -0.662 -18.959 -9.359 1.00 0.00 C ATOM 0 H PHE A 84 -0.872 -22.540 -5.897 1.00 0.00 H new ATOM 0 HA PHE A 84 1.206 -20.747 -5.169 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -1.829 -20.620 -5.043 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.809 -19.264 -4.603 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.853 -21.733 -7.458 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.706 -17.641 -6.258 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.744 -21.045 -9.812 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.593 -16.957 -8.615 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.614 -18.657 -10.395 1.00 0.00 H new ATOM 1365 N LYS A 85 -0.637 -21.805 -2.613 1.00 0.00 N ATOM 1366 CA LYS A 85 -0.682 -21.831 -1.140 1.00 0.00 C ATOM 1367 C LYS A 85 0.490 -22.641 -0.546 1.00 0.00 C ATOM 1368 O LYS A 85 1.140 -22.204 0.403 1.00 0.00 O ATOM 1369 CB LYS A 85 -2.015 -22.407 -0.658 1.00 0.00 C ATOM 1370 CG LYS A 85 -2.215 -22.354 0.850 1.00 0.00 C ATOM 1371 CD LYS A 85 -3.572 -22.916 1.248 1.00 0.00 C ATOM 1372 CE LYS A 85 -3.806 -22.792 2.746 1.00 0.00 C ATOM 1373 NZ LYS A 85 -2.912 -23.692 3.525 1.00 0.00 N ATOM 0 H LYS A 85 -1.421 -22.272 -3.068 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.587 -20.803 -0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -2.827 -21.862 -1.139 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -2.088 -23.444 -0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.425 -22.920 1.344 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.131 -21.323 1.194 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.359 -22.387 0.710 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.634 -23.964 0.954 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -3.640 -21.760 3.055 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.846 -23.029 2.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.161 -23.640 4.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.026 -24.670 3.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.923 -23.396 3.396 1.00 0.00 H new ATOM 1387 N GLU A 86 0.752 -23.811 -1.119 1.00 0.00 N ATOM 1388 CA GLU A 86 1.784 -24.732 -0.610 1.00 0.00 C ATOM 1389 C GLU A 86 3.200 -24.155 -0.776 1.00 0.00 C ATOM 1390 O GLU A 86 4.076 -24.383 0.057 1.00 0.00 O ATOM 1391 CB GLU A 86 1.684 -26.083 -1.321 1.00 0.00 C ATOM 1392 CG GLU A 86 0.460 -26.904 -0.943 1.00 0.00 C ATOM 1393 CD GLU A 86 0.459 -27.241 0.523 1.00 0.00 C ATOM 1394 OE1 GLU A 86 1.429 -27.790 0.987 1.00 0.00 O ATOM 1395 OE2 GLU A 86 -0.461 -26.848 1.201 1.00 0.00 O ATOM 0 H GLU A 86 0.262 -24.154 -1.945 1.00 0.00 H new ATOM 0 HA GLU A 86 1.604 -24.868 0.456 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.674 -25.913 -2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.579 -26.664 -1.098 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.444 -26.348 -1.191 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.440 -27.823 -1.529 1.00 0.00 H new ATOM 1402 N PHE A 87 3.413 -23.402 -1.849 1.00 0.00 N ATOM 1403 CA PHE A 87 4.714 -22.774 -2.116 1.00 0.00 C ATOM 1404 C PHE A 87 4.931 -21.522 -1.249 1.00 0.00 C ATOM 1405 O PHE A 87 5.992 -21.349 -0.651 1.00 0.00 O ATOM 1406 CB PHE A 87 4.831 -22.414 -3.598 1.00 0.00 C ATOM 1407 CG PHE A 87 6.211 -21.985 -4.009 1.00 0.00 C ATOM 1408 CD1 PHE A 87 7.217 -22.921 -4.195 1.00 0.00 C ATOM 1409 CD2 PHE A 87 6.506 -20.645 -4.211 1.00 0.00 C ATOM 1410 CE1 PHE A 87 8.486 -22.528 -4.574 1.00 0.00 C ATOM 1411 CE2 PHE A 87 7.773 -20.249 -4.590 1.00 0.00 C ATOM 1412 CZ PHE A 87 8.765 -21.192 -4.772 1.00 0.00 C ATOM 0 H PHE A 87 2.702 -23.207 -2.554 1.00 0.00 H new ATOM 0 HA PHE A 87 5.489 -23.495 -1.857 1.00 0.00 H new ATOM 0 HB2 PHE A 87 4.535 -23.276 -4.196 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.128 -21.612 -3.824 1.00 0.00 H new ATOM 0 HD1 PHE A 87 7.006 -23.969 -4.042 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.735 -19.902 -4.070 1.00 0.00 H new ATOM 0 HE1 PHE A 87 9.260 -23.268 -4.715 1.00 0.00 H new ATOM 0 HE2 PHE A 87 7.988 -19.202 -4.744 1.00 0.00 H new ATOM 0 HZ PHE A 87 9.757 -20.884 -5.069 1.00 0.00 H new ATOM 1422 N CYS A 88 3.919 -20.651 -1.183 1.00 0.00 N ATOM 1423 CA CYS A 88 4.082 -19.314 -0.586 1.00 0.00 C ATOM 1424 C CYS A 88 3.670 -19.255 0.895 1.00 0.00 C ATOM 1425 O CYS A 88 4.361 -18.659 1.717 1.00 0.00 O ATOM 1426 CB CYS A 88 3.135 -18.463 -1.434 1.00 0.00 C ATOM 1427 SG CYS A 88 3.574 -18.372 -3.185 1.00 0.00 S ATOM 0 H CYS A 88 2.980 -20.843 -1.533 1.00 0.00 H new ATOM 0 HA CYS A 88 5.122 -18.988 -0.589 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.126 -18.867 -1.346 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.111 -17.453 -1.026 1.00 0.00 H new ATOM 0 HG CYS A 88 2.496 -18.222 -3.895 1.00 0.00 H new ATOM 1433 N TYR A 89 2.543 -19.887 1.237 1.00 0.00 N ATOM 1434 CA TYR A 89 1.916 -19.697 2.561 1.00 0.00 C ATOM 1435 C TYR A 89 2.173 -20.891 3.504 1.00 0.00 C ATOM 1436 O TYR A 89 1.593 -20.986 4.588 1.00 0.00 O ATOM 1437 CB TYR A 89 0.405 -19.457 2.383 1.00 0.00 C ATOM 1438 CG TYR A 89 -0.346 -19.182 3.678 1.00 0.00 C ATOM 1439 CD1 TYR A 89 0.031 -18.129 4.507 1.00 0.00 C ATOM 1440 CD2 TYR A 89 -1.430 -19.964 4.068 1.00 0.00 C ATOM 1441 CE1 TYR A 89 -0.643 -17.868 5.685 1.00 0.00 C ATOM 1442 CE2 TYR A 89 -2.110 -19.706 5.245 1.00 0.00 C ATOM 1443 CZ TYR A 89 -1.713 -18.658 6.049 1.00 0.00 C ATOM 1444 OH TYR A 89 -2.390 -18.396 7.222 1.00 0.00 O ATOM 0 H TYR A 89 2.044 -20.532 0.624 1.00 0.00 H new ATOM 0 HA TYR A 89 2.372 -18.825 3.029 1.00 0.00 H new ATOM 0 HB2 TYR A 89 0.261 -18.614 1.708 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.035 -20.330 1.901 1.00 0.00 H new ATOM 0 HD1 TYR A 89 0.866 -17.505 4.224 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -1.745 -20.785 3.442 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.333 -17.049 6.317 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -2.948 -20.323 5.533 1.00 0.00 H new ATOM 0 HH TYR A 89 -3.118 -19.043 7.331 1.00 0.00 H new ATOM 1454 N LYS A 90 3.059 -21.795 3.101 1.00 0.00 N ATOM 1455 CA LYS A 90 3.447 -22.921 3.956 1.00 0.00 C ATOM 1456 C LYS A 90 4.068 -22.445 5.280 1.00 0.00 C ATOM 1457 O LYS A 90 5.174 -21.917 5.312 1.00 0.00 O ATOM 1458 CB LYS A 90 4.425 -23.836 3.217 1.00 0.00 C ATOM 1459 CG LYS A 90 4.486 -25.259 3.757 1.00 0.00 C ATOM 1460 CD LYS A 90 3.176 -25.995 3.525 1.00 0.00 C ATOM 1461 CE LYS A 90 3.251 -27.431 4.025 1.00 0.00 C ATOM 1462 NZ LYS A 90 1.977 -28.166 3.802 1.00 0.00 N ATOM 0 H LYS A 90 3.523 -21.774 2.193 1.00 0.00 H new ATOM 0 HA LYS A 90 2.541 -23.479 4.195 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.145 -23.872 2.164 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.422 -23.398 3.267 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.300 -25.799 3.273 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.709 -25.236 4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.367 -25.472 4.036 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.937 -25.990 2.461 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.063 -27.950 3.516 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.489 -27.433 5.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.112 -29.172 4.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.235 -27.769 4.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.692 -28.072 2.806 1.00 0.00 H new ATOM 1476 N THR A 91 3.345 -22.639 6.379 1.00 0.00 N ATOM 1477 CA THR A 91 3.853 -22.263 7.709 1.00 0.00 C ATOM 1478 C THR A 91 4.769 -23.342 8.316 1.00 0.00 C ATOM 1479 O THR A 91 5.566 -23.067 9.214 1.00 0.00 O ATOM 1480 CB THR A 91 2.696 -21.988 8.687 1.00 0.00 C ATOM 1481 OG1 THR A 91 1.902 -23.173 8.838 1.00 0.00 O ATOM 1482 CG2 THR A 91 1.819 -20.857 8.172 1.00 0.00 C ATOM 0 H THR A 91 2.412 -23.051 6.383 1.00 0.00 H new ATOM 0 HA THR A 91 4.439 -21.356 7.562 1.00 0.00 H new ATOM 0 HB THR A 91 3.116 -21.698 9.650 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.167 -22.997 9.462 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.007 -20.677 8.876 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.417 -19.951 8.068 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.404 -21.131 7.202 1.00 0.00 H new ATOM 1490 N SER A 92 4.657 -24.568 7.812 1.00 0.00 N ATOM 1491 CA SER A 92 5.510 -25.677 8.259 1.00 0.00 C ATOM 1492 C SER A 92 6.749 -25.833 7.368 1.00 0.00 C ATOM 1493 O SER A 92 6.722 -25.505 6.177 1.00 0.00 O ATOM 1494 CB SER A 92 4.713 -26.967 8.282 1.00 0.00 C ATOM 1495 OG SER A 92 3.686 -26.935 9.234 1.00 0.00 O ATOM 0 H SER A 92 3.983 -24.824 7.091 1.00 0.00 H new ATOM 0 HA SER A 92 5.856 -25.448 9.267 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.286 -27.147 7.295 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.381 -27.801 8.497 1.00 0.00 H new ATOM 0 HG SER A 92 3.196 -27.784 9.215 1.00 0.00 H new ATOM 1501 N ALA A 93 7.839 -26.318 7.958 1.00 0.00 N ATOM 1502 CA ALA A 93 9.081 -26.591 7.225 1.00 0.00 C ATOM 1503 C ALA A 93 9.743 -27.875 7.749 1.00 0.00 C ATOM 1504 O ALA A 93 10.793 -27.831 8.394 1.00 0.00 O ATOM 1505 CB ALA A 93 10.035 -25.405 7.328 1.00 0.00 C ATOM 0 H ALA A 93 7.890 -26.533 8.954 1.00 0.00 H new ATOM 0 HA ALA A 93 8.838 -26.739 6.173 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.950 -25.625 6.779 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.562 -24.519 6.904 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.276 -25.222 8.375 1.00 0.00 H new ATOM 1511 N HIS A 94 9.115 -29.012 7.471 1.00 0.00 N ATOM 1512 CA HIS A 94 9.620 -30.326 7.896 1.00 0.00 C ATOM 1513 C HIS A 94 10.270 -31.081 6.714 1.00 0.00 C ATOM 1514 O HIS A 94 10.570 -30.478 5.687 1.00 0.00 O ATOM 1515 CB HIS A 94 8.491 -31.167 8.502 1.00 0.00 C ATOM 1516 CG HIS A 94 7.407 -31.510 7.528 1.00 0.00 C ATOM 1517 ND1 HIS A 94 7.454 -32.632 6.728 1.00 0.00 N ATOM 1518 CD2 HIS A 94 6.248 -30.879 7.226 1.00 0.00 C ATOM 1519 CE1 HIS A 94 6.368 -32.676 5.975 1.00 0.00 C ATOM 1520 NE2 HIS A 94 5.622 -31.625 6.257 1.00 0.00 N ATOM 0 H HIS A 94 8.242 -29.056 6.946 1.00 0.00 H new ATOM 0 HA HIS A 94 10.383 -30.160 8.657 1.00 0.00 H new ATOM 0 HB2 HIS A 94 8.912 -32.089 8.903 1.00 0.00 H new ATOM 0 HB3 HIS A 94 8.055 -30.624 9.341 1.00 0.00 H new ATOM 0 HD2 HIS A 94 5.884 -29.962 7.664 1.00 0.00 H new ATOM 0 HE1 HIS A 94 6.132 -33.442 5.252 1.00 0.00 H new ATOM 0 HE2 HIS A 94 4.725 -31.402 5.825 1.00 0.00 H new ATOM 1525 N GLY A 95 10.523 -32.387 6.884 1.00 0.00 N ATOM 1526 CA GLY A 95 11.244 -33.171 5.876 1.00 0.00 C ATOM 1527 C GLY A 95 10.667 -33.044 4.463 1.00 0.00 C ATOM 1528 O GLY A 95 11.417 -33.032 3.488 1.00 0.00 O ATOM 0 H GLY A 95 10.240 -32.919 7.707 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.287 -32.855 5.862 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.233 -34.221 6.170 1.00 0.00 H new ATOM 1532 N ILE A 96 9.337 -32.955 4.353 1.00 0.00 N ATOM 1533 CA ILE A 96 8.663 -32.801 3.050 1.00 0.00 C ATOM 1534 C ILE A 96 7.737 -31.560 3.027 1.00 0.00 C ATOM 1535 O ILE A 96 6.527 -31.664 3.238 1.00 0.00 O ATOM 1536 CB ILE A 96 7.838 -34.051 2.697 1.00 0.00 C ATOM 1537 CG1 ILE A 96 8.712 -35.306 2.768 1.00 0.00 C ATOM 1538 CG2 ILE A 96 7.220 -33.907 1.315 1.00 0.00 C ATOM 1539 CD1 ILE A 96 7.964 -36.589 2.489 1.00 0.00 C ATOM 0 H ILE A 96 8.701 -32.987 5.150 1.00 0.00 H new ATOM 0 HA ILE A 96 9.450 -32.667 2.308 1.00 0.00 H new ATOM 0 HB ILE A 96 7.033 -34.151 3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.528 -35.210 2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.163 -35.368 3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.640 -34.800 1.081 1.00 0.00 H new ATOM 0 HG22 ILE A 96 6.567 -33.035 1.298 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.010 -33.783 0.574 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.651 -37.433 2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.165 -36.711 3.220 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.536 -36.550 1.487 1.00 0.00 H new ATOM 1551 N PRO A 97 8.300 -30.350 2.816 1.00 0.00 N ATOM 1552 CA PRO A 97 7.524 -29.106 2.799 1.00 0.00 C ATOM 1553 C PRO A 97 7.029 -28.693 1.395 1.00 0.00 C ATOM 1554 O PRO A 97 6.234 -27.765 1.265 1.00 0.00 O ATOM 1555 CB PRO A 97 8.552 -28.106 3.325 1.00 0.00 C ATOM 1556 CG PRO A 97 9.860 -28.573 2.753 1.00 0.00 C ATOM 1557 CD PRO A 97 9.780 -30.086 2.634 1.00 0.00 C ATOM 0 HA PRO A 97 6.603 -29.183 3.377 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.318 -27.091 3.004 1.00 0.00 H new ATOM 0 HB3 PRO A 97 8.576 -28.098 4.415 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.038 -28.119 1.778 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.689 -28.280 3.398 1.00 0.00 H new ATOM 0 HD2 PRO A 97 10.139 -30.437 1.666 1.00 0.00 H new ATOM 0 HD3 PRO A 97 10.378 -30.585 3.396 1.00 0.00 H new ATOM 1565 N MET A 98 7.508 -29.383 0.356 1.00 0.00 N ATOM 1566 CA MET A 98 7.338 -28.934 -1.034 1.00 0.00 C ATOM 1567 C MET A 98 5.924 -29.224 -1.571 1.00 0.00 C ATOM 1568 O MET A 98 5.081 -29.781 -0.870 1.00 0.00 O ATOM 1569 CB MET A 98 8.384 -29.600 -1.925 1.00 0.00 C ATOM 1570 CG MET A 98 9.819 -29.192 -1.625 1.00 0.00 C ATOM 1571 SD MET A 98 11.007 -29.940 -2.758 1.00 0.00 S ATOM 1572 CE MET A 98 12.552 -29.403 -2.032 1.00 0.00 C ATOM 0 H MET A 98 8.020 -30.260 0.450 1.00 0.00 H new ATOM 0 HA MET A 98 7.475 -27.853 -1.049 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.297 -30.681 -1.820 1.00 0.00 H new ATOM 0 HB3 MET A 98 8.162 -29.362 -2.965 1.00 0.00 H new ATOM 0 HG2 MET A 98 9.903 -28.107 -1.681 1.00 0.00 H new ATOM 0 HG3 MET A 98 10.068 -29.478 -0.603 1.00 0.00 H new ATOM 0 HE1 MET A 98 13.384 -29.802 -2.612 1.00 0.00 H new ATOM 0 HE2 MET A 98 12.596 -28.314 -2.035 1.00 0.00 H new ATOM 0 HE3 MET A 98 12.617 -29.766 -1.006 1.00 0.00 H new ATOM 1582 N ILE A 99 5.686 -28.847 -2.829 1.00 0.00 N ATOM 1583 CA ILE A 99 4.384 -29.052 -3.486 1.00 0.00 C ATOM 1584 C ILE A 99 3.979 -30.541 -3.525 1.00 0.00 C ATOM 1585 O ILE A 99 2.794 -30.871 -3.557 1.00 0.00 O ATOM 1586 CB ILE A 99 4.391 -28.497 -4.922 1.00 0.00 C ATOM 1587 CG1 ILE A 99 4.710 -27.000 -4.916 1.00 0.00 C ATOM 1588 CG2 ILE A 99 3.055 -28.758 -5.601 1.00 0.00 C ATOM 1589 CD1 ILE A 99 3.758 -26.178 -4.076 1.00 0.00 C ATOM 0 H ILE A 99 6.382 -28.394 -3.421 1.00 0.00 H new ATOM 0 HA ILE A 99 3.652 -28.509 -2.888 1.00 0.00 H new ATOM 0 HB ILE A 99 5.168 -29.011 -5.487 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.725 -26.855 -4.545 1.00 0.00 H new ATOM 0 HG13 ILE A 99 4.689 -26.629 -5.941 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.078 -28.359 -6.615 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.869 -29.831 -5.638 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.259 -28.271 -5.038 1.00 0.00 H new ATOM 0 HD11 ILE A 99 4.047 -25.128 -4.120 1.00 0.00 H new ATOM 0 HD12 ILE A 99 2.744 -26.291 -4.459 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.796 -26.521 -3.042 1.00 0.00 H new ATOM 1601 N GLY A 100 4.966 -31.438 -3.510 1.00 0.00 N ATOM 1602 CA GLY A 100 4.663 -32.868 -3.523 1.00 0.00 C ATOM 1603 C GLY A 100 5.751 -33.760 -2.918 1.00 0.00 C ATOM 1604 O GLY A 100 5.817 -33.942 -1.701 1.00 0.00 O ATOM 0 H GLY A 100 5.959 -31.207 -3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 100 3.733 -33.033 -2.979 1.00 0.00 H new ATOM 0 HA3 GLY A 100 4.489 -33.179 -4.553 1.00 0.00 H new ATOM 1608 N GLU A 101 6.626 -34.286 -3.773 1.00 0.00 N ATOM 1609 CA GLU A 101 7.700 -35.192 -3.339 1.00 0.00 C ATOM 1610 C GLU A 101 9.027 -34.478 -3.043 1.00 0.00 C ATOM 1611 O GLU A 101 9.692 -33.968 -3.946 1.00 0.00 O ATOM 1612 CB GLU A 101 7.926 -36.271 -4.400 1.00 0.00 C ATOM 1613 CG GLU A 101 8.986 -37.300 -4.034 1.00 0.00 C ATOM 1614 CD GLU A 101 9.136 -38.337 -5.112 1.00 0.00 C ATOM 1615 OE1 GLU A 101 8.464 -38.230 -6.110 1.00 0.00 O ATOM 1616 OE2 GLU A 101 10.002 -39.171 -4.989 1.00 0.00 O ATOM 0 H GLU A 101 6.616 -34.102 -4.776 1.00 0.00 H new ATOM 0 HA GLU A 101 7.368 -35.635 -2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 101 6.983 -36.787 -4.582 1.00 0.00 H new ATOM 0 HB3 GLU A 101 8.212 -35.790 -5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 101 9.941 -36.800 -3.872 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.717 -37.784 -3.095 1.00 0.00 H new ATOM 1623 N ALA A 102 9.402 -34.445 -1.768 1.00 0.00 N ATOM 1624 CA ALA A 102 10.664 -33.834 -1.344 1.00 0.00 C ATOM 1625 C ALA A 102 11.501 -34.843 -0.536 1.00 0.00 C ATOM 1626 O ALA A 102 11.344 -34.970 0.677 1.00 0.00 O ATOM 1627 CB ALA A 102 10.393 -32.573 -0.534 1.00 0.00 C ATOM 0 H ALA A 102 8.849 -34.835 -1.005 1.00 0.00 H new ATOM 0 HA ALA A 102 11.236 -33.552 -2.228 1.00 0.00 H new ATOM 0 HB1 ALA A 102 11.339 -32.129 -0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.840 -31.860 -1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.806 -32.827 0.349 1.00 0.00 H new ATOM 1633 N PRO A 103 12.393 -35.597 -1.210 1.00 0.00 N ATOM 1634 CA PRO A 103 13.258 -36.604 -0.554 1.00 0.00 C ATOM 1635 C PRO A 103 14.424 -35.989 0.244 1.00 0.00 C ATOM 1636 O PRO A 103 15.589 -36.158 -0.118 1.00 0.00 O ATOM 1637 CB PRO A 103 13.763 -37.457 -1.722 1.00 0.00 C ATOM 1638 CG PRO A 103 13.820 -36.515 -2.874 1.00 0.00 C ATOM 1639 CD PRO A 103 12.631 -35.607 -2.705 1.00 0.00 C ATOM 0 HA PRO A 103 12.710 -37.174 0.196 1.00 0.00 H new ATOM 0 HB2 PRO A 103 14.744 -37.882 -1.508 1.00 0.00 H new ATOM 0 HB3 PRO A 103 13.091 -38.291 -1.924 1.00 0.00 H new ATOM 0 HG2 PRO A 103 14.751 -35.948 -2.873 1.00 0.00 H new ATOM 0 HG3 PRO A 103 13.774 -37.050 -3.822 1.00 0.00 H new ATOM 0 HD2 PRO A 103 12.835 -34.606 -3.084 1.00 0.00 H new ATOM 0 HD3 PRO A 103 11.762 -35.981 -3.246 1.00 0.00 H new ATOM 1647 N LEU A 104 14.104 -35.267 1.326 1.00 0.00 N ATOM 1648 CA LEU A 104 15.124 -34.633 2.187 1.00 0.00 C ATOM 1649 C LEU A 104 16.060 -33.718 1.356 1.00 0.00 C ATOM 1650 O LEU A 104 17.279 -33.709 1.538 1.00 0.00 O ATOM 1651 CB LEU A 104 15.936 -35.706 2.924 1.00 0.00 C ATOM 1652 CG LEU A 104 15.113 -36.667 3.790 1.00 0.00 C ATOM 1653 CD1 LEU A 104 16.024 -37.712 4.421 1.00 0.00 C ATOM 1654 CD2 LEU A 104 14.371 -35.881 4.861 1.00 0.00 C ATOM 0 H LEU A 104 13.144 -35.104 1.631 1.00 0.00 H new ATOM 0 HA LEU A 104 14.613 -34.012 2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 104 16.490 -36.289 2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 104 16.672 -35.211 3.558 1.00 0.00 H new ATOM 0 HG LEU A 104 14.383 -37.183 3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 104 15.430 -38.390 5.034 1.00 0.00 H new ATOM 0 HD12 LEU A 104 16.526 -38.278 3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 104 16.768 -37.217 5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 104 13.787 -36.566 5.476 1.00 0.00 H new ATOM 0 HD22 LEU A 104 15.089 -35.353 5.488 1.00 0.00 H new ATOM 0 HD23 LEU A 104 13.705 -35.160 4.387 1.00 0.00 H new ATOM 1666 N GLU A 105 15.465 -32.918 0.474 1.00 0.00 N ATOM 1667 CA GLU A 105 16.218 -31.985 -0.365 1.00 0.00 C ATOM 1668 C GLU A 105 16.343 -30.604 0.296 1.00 0.00 C ATOM 1669 O GLU A 105 15.548 -29.695 0.041 1.00 0.00 O ATOM 1670 CB GLU A 105 15.554 -31.853 -1.738 1.00 0.00 C ATOM 1671 CG GLU A 105 15.519 -33.142 -2.546 1.00 0.00 C ATOM 1672 CD GLU A 105 14.848 -32.935 -3.876 1.00 0.00 C ATOM 1673 OE1 GLU A 105 14.339 -31.864 -4.103 1.00 0.00 O ATOM 1674 OE2 GLU A 105 14.943 -33.806 -4.708 1.00 0.00 O ATOM 0 H GLU A 105 14.457 -32.897 0.320 1.00 0.00 H new ATOM 0 HA GLU A 105 17.223 -32.388 -0.489 1.00 0.00 H new ATOM 0 HB2 GLU A 105 14.533 -31.496 -1.602 1.00 0.00 H new ATOM 0 HB3 GLU A 105 16.083 -31.093 -2.312 1.00 0.00 H new ATOM 0 HG2 GLU A 105 16.535 -33.504 -2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 105 14.989 -33.911 -1.985 1.00 0.00 H new ATOM 1681 N HIS A 106 17.340 -30.455 1.160 1.00 0.00 N ATOM 1682 CA HIS A 106 17.557 -29.197 1.872 1.00 0.00 C ATOM 1683 C HIS A 106 18.498 -28.287 1.070 1.00 0.00 C ATOM 1684 O HIS A 106 19.668 -28.132 1.415 1.00 0.00 O ATOM 1685 CB HIS A 106 18.130 -29.455 3.270 1.00 0.00 C ATOM 1686 CG HIS A 106 17.169 -30.129 4.199 1.00 0.00 C ATOM 1687 ND1 HIS A 106 16.747 -31.429 4.017 1.00 0.00 N ATOM 1688 CD2 HIS A 106 16.547 -29.684 5.316 1.00 0.00 C ATOM 1689 CE1 HIS A 106 15.906 -31.755 4.985 1.00 0.00 C ATOM 1690 NE2 HIS A 106 15.769 -30.714 5.785 1.00 0.00 N ATOM 0 H HIS A 106 18.012 -31.188 1.386 1.00 0.00 H new ATOM 0 HA HIS A 106 16.595 -28.697 1.984 1.00 0.00 H new ATOM 0 HB2 HIS A 106 19.025 -30.070 3.178 1.00 0.00 H new ATOM 0 HB3 HIS A 106 18.439 -28.506 3.707 1.00 0.00 H new ATOM 0 HD2 HIS A 106 16.644 -28.703 5.756 1.00 0.00 H new ATOM 0 HE1 HIS A 106 15.415 -32.710 5.101 1.00 0.00 H new ATOM 0 HE2 HIS A 106 15.180 -30.680 6.617 1.00 0.00 H new ATOM 1695 N HIS A 107 17.983 -27.710 -0.016 1.00 0.00 N ATOM 1696 CA HIS A 107 18.775 -26.806 -0.862 1.00 0.00 C ATOM 1697 C HIS A 107 19.178 -25.530 -0.103 1.00 0.00 C ATOM 1698 O HIS A 107 18.413 -25.021 0.719 1.00 0.00 O ATOM 1699 CB HIS A 107 17.997 -26.435 -2.129 1.00 0.00 C ATOM 1700 CG HIS A 107 18.822 -25.722 -3.155 1.00 0.00 C ATOM 1701 ND1 HIS A 107 19.113 -24.377 -3.072 1.00 0.00 N ATOM 1702 CD2 HIS A 107 19.417 -26.167 -4.286 1.00 0.00 C ATOM 1703 CE1 HIS A 107 19.853 -24.025 -4.108 1.00 0.00 C ATOM 1704 NE2 HIS A 107 20.051 -25.092 -4.860 1.00 0.00 N ATOM 0 H HIS A 107 17.024 -27.850 -0.333 1.00 0.00 H new ATOM 0 HA HIS A 107 19.685 -27.336 -1.143 1.00 0.00 H new ATOM 0 HB2 HIS A 107 17.587 -27.343 -2.572 1.00 0.00 H new ATOM 0 HB3 HIS A 107 17.151 -25.805 -1.854 1.00 0.00 H new ATOM 0 HD2 HIS A 107 19.397 -27.178 -4.666 1.00 0.00 H new ATOM 0 HE1 HIS A 107 20.232 -23.033 -4.306 1.00 0.00 H new ATOM 0 HE2 HIS A 107 20.588 -25.114 -5.727 1.00 0.00 H new