USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 967 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 116 SER OG : rot 154:sc= 1.22 USER MOD Set 1.2: A 118 ASN : amide:sc= 0.497 K(o=1.7,f=-0.79) USER MOD Set 2.1: A 96 THR OG1 : rot 180:sc= 0.524 USER MOD Set 2.2: A 98 ASN : amide:sc= 0.574 K(o=1.1,f=0.59) USER MOD Set 3.1: A 84 THR OG1 : rot -160:sc= 0.672 USER MOD Set 3.2: A 130 THR OG1 : rot -90:sc= 0.915 USER MOD Set 4.1: A 81 ASN : amide:sc= -0.431 K(o=-0.33,f=-12!) USER MOD Set 4.2: A 83 SER OG : rot -80:sc= 0.101 USER MOD Set 5.1: A 71 THR OG1 : rot 44:sc= 1.08 USER MOD Set 5.2: A 78 LYS NZ :NH3+ -131:sc= 0.269 (180deg=-0.252) USER MOD Set 6.1: A 22 GLN : amide:sc= -2.35 K(o=-2.2,f=0.34) USER MOD Set 6.2: A 62 ASN : amide:sc= 0.111 K(o=-2.2,f=-4.6!) USER MOD Set 7.1: A 19 HIS : no HD1:sc= 0 X(o=0.22,f=0.21) USER MOD Set 7.2: A 21 SER OG : rot 160:sc= 0.219 USER MOD Set 8.1: A 16 LYS NZ :NH3+ 175:sc= 1.6 (180deg=0.483) USER MOD Set 8.2: A 123 GLN : amide:sc= -5.34! C(o=-3.7!,f=-14!) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= 0.0224 C(o=0.31!,f=-9.5!) USER MOD Single : A 24 SER OG : rot 150:sc= 0.214 USER MOD Single : A 25 ASN : amide:sc= -0.0898 K(o=-0.09,f=-1.3!) USER MOD Single : A 26 THR OG1 : rot -90:sc= 1.13 USER MOD Single : A 37 LYS NZ :NH3+ 179:sc= 0.129 (180deg=0.124) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -154:sc= -3.29! (180deg=-4.23!) USER MOD Single : A 45 GLN : amide:sc= 0.502 K(o=0.5,f=0) USER MOD Single : A 47 GLN : amide:sc= -3.85! C(o=-3.9!,f=-3.2!) USER MOD Single : A 56 SER OG : rot -80:sc= 0.618 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -172:sc= 1.28 (180deg=1.16) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -151:sc= 2.67 USER MOD Single : A 75 MET CE :methyl 160:sc= -0.0221 (180deg=-0.374) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 ASN : amide:sc= -0.562 K(o=-0.56,f=-4.4!) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0605 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.0033 USER MOD Single : A 100 SER OG : rot 25:sc= -0.214 USER MOD Single : A 105 SER OG : rot 61:sc= 0.13 USER MOD Single : A 108 LYS NZ :NH3+ -178:sc= 0.675 (180deg=0.636) USER MOD Single : A 110 THR OG1 : rot -14:sc= 0.784 USER MOD Single : A 113 SER OG : rot 180:sc= 0.00148 USER MOD Single : A 115 ASN : amide:sc= -2.04 K(o=-2,f=-0.7) USER MOD Single : A 124 LYS NZ :NH3+ -106:sc= 1.2 (180deg=-0.783) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 HIS : no HE2:sc= 1.03 K(o=1,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 46 N LEU A 4 16.181 -11.239 -2.647 1.00 0.00 N ATOM 47 CA LEU A 4 16.917 -10.716 -3.769 1.00 0.00 C ATOM 48 C LEU A 4 17.426 -9.382 -3.284 1.00 0.00 C ATOM 49 O LEU A 4 17.054 -8.963 -2.182 1.00 0.00 O ATOM 50 CB LEU A 4 16.058 -10.535 -5.082 1.00 0.00 C ATOM 51 CG LEU A 4 15.526 -11.795 -5.796 1.00 0.00 C ATOM 52 CD1 LEU A 4 14.334 -12.408 -5.063 1.00 0.00 C ATOM 53 CD2 LEU A 4 15.156 -11.469 -7.236 1.00 0.00 C ATOM 0 HA LEU A 4 17.702 -11.412 -4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 4 15.201 -9.909 -4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 4 16.662 -9.979 -5.799 1.00 0.00 H new ATOM 0 HG LEU A 4 16.325 -12.536 -5.792 1.00 0.00 H new ATOM 0 HD11 LEU A 4 13.992 -13.292 -5.601 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.633 -12.690 -4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 4 13.525 -11.679 -5.011 1.00 0.00 H new ATOM 0 HD21 LEU A 4 14.782 -12.367 -7.728 1.00 0.00 H new ATOM 0 HD22 LEU A 4 14.383 -10.700 -7.248 1.00 0.00 H new ATOM 0 HD23 LEU A 4 16.037 -11.106 -7.765 1.00 0.00 H new ATOM 65 N GLU A 5 18.232 -8.716 -4.034 1.00 0.00 N ATOM 66 CA GLU A 5 18.762 -7.468 -3.555 1.00 0.00 C ATOM 67 C GLU A 5 17.992 -6.268 -4.052 1.00 0.00 C ATOM 68 O GLU A 5 17.317 -6.306 -5.095 1.00 0.00 O ATOM 69 CB GLU A 5 20.235 -7.316 -3.869 1.00 0.00 C ATOM 70 CG GLU A 5 21.125 -8.330 -3.186 1.00 0.00 C ATOM 71 CD GLU A 5 22.566 -8.032 -3.429 1.00 0.00 C ATOM 72 OE1 GLU A 5 23.101 -8.423 -4.487 1.00 0.00 O ATOM 73 OE2 GLU A 5 23.192 -7.357 -2.596 1.00 0.00 O ATOM 0 H GLU A 5 18.540 -8.998 -4.965 1.00 0.00 H new ATOM 0 HA GLU A 5 18.644 -7.502 -2.472 1.00 0.00 H new ATOM 0 HB2 GLU A 5 20.375 -7.395 -4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 5 20.555 -6.315 -3.579 1.00 0.00 H new ATOM 0 HG2 GLU A 5 20.926 -8.329 -2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 5 20.891 -9.329 -3.553 1.00 0.00 H new ATOM 80 N CYS A 6 18.064 -5.238 -3.277 1.00 0.00 N ATOM 81 CA CYS A 6 17.496 -3.960 -3.586 1.00 0.00 C ATOM 82 C CYS A 6 18.575 -2.895 -3.322 1.00 0.00 C ATOM 83 O CYS A 6 19.630 -3.225 -2.760 1.00 0.00 O ATOM 84 CB CYS A 6 16.286 -3.734 -2.685 1.00 0.00 C ATOM 85 SG CYS A 6 16.671 -3.777 -0.901 1.00 0.00 S ATOM 0 H CYS A 6 18.538 -5.260 -2.374 1.00 0.00 H new ATOM 0 HA CYS A 6 17.172 -3.905 -4.625 1.00 0.00 H new ATOM 0 HB2 CYS A 6 15.841 -2.769 -2.927 1.00 0.00 H new ATOM 0 HB3 CYS A 6 15.536 -4.495 -2.903 1.00 0.00 H new ATOM 90 N PRO A 7 18.392 -1.632 -3.760 1.00 0.00 N ATOM 91 CA PRO A 7 19.358 -0.559 -3.467 1.00 0.00 C ATOM 92 C PRO A 7 19.448 -0.223 -1.959 1.00 0.00 C ATOM 93 O PRO A 7 18.578 -0.600 -1.162 1.00 0.00 O ATOM 94 CB PRO A 7 18.824 0.646 -4.248 1.00 0.00 C ATOM 95 CG PRO A 7 17.868 0.081 -5.230 1.00 0.00 C ATOM 96 CD PRO A 7 17.293 -1.150 -4.605 1.00 0.00 C ATOM 0 HA PRO A 7 20.368 -0.853 -3.751 1.00 0.00 H new ATOM 0 HB2 PRO A 7 18.333 1.358 -3.585 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.632 1.181 -4.748 1.00 0.00 H new ATOM 0 HG2 PRO A 7 17.083 0.800 -5.464 1.00 0.00 H new ATOM 0 HG3 PRO A 7 18.371 -0.159 -6.167 1.00 0.00 H new ATOM 0 HD2 PRO A 7 16.401 -0.927 -4.020 1.00 0.00 H new ATOM 0 HD3 PRO A 7 17.006 -1.888 -5.355 1.00 0.00 H new ATOM 104 N GLN A 8 20.503 0.482 -1.590 1.00 0.00 N ATOM 105 CA GLN A 8 20.779 0.860 -0.198 1.00 0.00 C ATOM 106 C GLN A 8 19.712 1.808 0.397 1.00 0.00 C ATOM 107 O GLN A 8 19.469 1.791 1.599 1.00 0.00 O ATOM 108 CB GLN A 8 22.167 1.502 -0.084 1.00 0.00 C ATOM 109 CG GLN A 8 22.341 2.776 -0.903 1.00 0.00 C ATOM 110 CD GLN A 8 23.682 3.429 -0.670 1.00 0.00 C ATOM 111 OE1 GLN A 8 23.833 4.258 0.227 1.00 0.00 O ATOM 112 NE2 GLN A 8 24.662 3.081 -1.462 1.00 0.00 N ATOM 0 H GLN A 8 21.206 0.816 -2.249 1.00 0.00 H new ATOM 0 HA GLN A 8 20.747 -0.061 0.384 1.00 0.00 H new ATOM 0 HB2 GLN A 8 22.364 1.728 0.964 1.00 0.00 H new ATOM 0 HB3 GLN A 8 22.917 0.776 -0.400 1.00 0.00 H new ATOM 0 HG2 GLN A 8 22.233 2.542 -1.962 1.00 0.00 H new ATOM 0 HG3 GLN A 8 21.548 3.479 -0.649 1.00 0.00 H new ATOM 0 HE21 GLN A 8 24.504 2.391 -2.196 1.00 0.00 H new ATOM 0 HE22 GLN A 8 25.585 3.500 -1.346 1.00 0.00 H new ATOM 121 N ASP A 9 19.051 2.585 -0.462 1.00 0.00 N ATOM 122 CA ASP A 9 18.039 3.599 -0.039 1.00 0.00 C ATOM 123 C ASP A 9 16.717 2.932 0.344 1.00 0.00 C ATOM 124 O ASP A 9 15.701 3.607 0.543 1.00 0.00 O ATOM 125 CB ASP A 9 17.717 4.571 -1.205 1.00 0.00 C ATOM 126 CG ASP A 9 18.887 5.341 -1.764 1.00 0.00 C ATOM 127 OD1 ASP A 9 19.560 4.822 -2.688 1.00 0.00 O ATOM 128 OD2 ASP A 9 19.131 6.496 -1.333 1.00 0.00 O ATOM 0 H ASP A 9 19.189 2.542 -1.472 1.00 0.00 H new ATOM 0 HA ASP A 9 18.467 4.129 0.812 1.00 0.00 H new ATOM 0 HB2 ASP A 9 17.264 3.999 -2.014 1.00 0.00 H new ATOM 0 HB3 ASP A 9 16.968 5.285 -0.861 1.00 0.00 H new ATOM 133 N TRP A 10 16.718 1.629 0.425 1.00 0.00 N ATOM 134 CA TRP A 10 15.514 0.867 0.617 1.00 0.00 C ATOM 135 C TRP A 10 15.667 -0.094 1.812 1.00 0.00 C ATOM 136 O TRP A 10 16.781 -0.541 2.118 1.00 0.00 O ATOM 137 CB TRP A 10 15.206 0.089 -0.681 1.00 0.00 C ATOM 138 CG TRP A 10 14.939 0.947 -1.897 1.00 0.00 C ATOM 139 CD1 TRP A 10 15.827 1.741 -2.565 1.00 0.00 C ATOM 140 CD2 TRP A 10 13.715 1.059 -2.604 1.00 0.00 C ATOM 141 NE1 TRP A 10 15.206 2.372 -3.605 1.00 0.00 N ATOM 142 CE2 TRP A 10 13.922 1.965 -3.660 1.00 0.00 C ATOM 143 CE3 TRP A 10 12.460 0.498 -2.446 1.00 0.00 C ATOM 144 CZ2 TRP A 10 12.925 2.312 -4.541 1.00 0.00 C ATOM 145 CZ3 TRP A 10 11.473 0.847 -3.328 1.00 0.00 C ATOM 146 CH2 TRP A 10 11.712 1.746 -4.360 1.00 0.00 C ATOM 0 H TRP A 10 17.563 1.061 0.359 1.00 0.00 H new ATOM 0 HA TRP A 10 14.685 1.539 0.840 1.00 0.00 H new ATOM 0 HB2 TRP A 10 16.046 -0.570 -0.899 1.00 0.00 H new ATOM 0 HB3 TRP A 10 14.338 -0.547 -0.507 1.00 0.00 H new ATOM 0 HD1 TRP A 10 16.870 1.854 -2.308 1.00 0.00 H new ATOM 0 HE1 TRP A 10 15.643 3.042 -4.237 1.00 0.00 H new ATOM 0 HE3 TRP A 10 12.264 -0.199 -1.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 13.105 3.009 -5.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 10.489 0.415 -3.220 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.907 1.999 -5.035 1.00 0.00 H new ATOM 157 N LEU A 11 14.556 -0.390 2.486 1.00 0.00 N ATOM 158 CA LEU A 11 14.549 -1.288 3.655 1.00 0.00 C ATOM 159 C LEU A 11 14.044 -2.655 3.215 1.00 0.00 C ATOM 160 O LEU A 11 12.920 -2.759 2.741 1.00 0.00 O ATOM 161 CB LEU A 11 13.600 -0.785 4.776 1.00 0.00 C ATOM 162 CG LEU A 11 13.745 0.652 5.311 1.00 0.00 C ATOM 163 CD1 LEU A 11 15.195 1.051 5.551 1.00 0.00 C ATOM 164 CD2 LEU A 11 12.987 1.651 4.447 1.00 0.00 C ATOM 0 H LEU A 11 13.637 -0.020 2.244 1.00 0.00 H new ATOM 0 HA LEU A 11 15.566 -1.326 4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.579 -0.895 4.412 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.711 -1.461 5.624 1.00 0.00 H new ATOM 0 HG LEU A 11 13.277 0.671 6.295 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.234 2.073 5.927 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.641 0.378 6.283 1.00 0.00 H new ATOM 0 HD13 LEU A 11 15.749 0.988 4.615 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.112 2.654 4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.377 1.622 3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 11 11.928 1.393 4.437 1.00 0.00 H new ATOM 176 N SER A 12 14.827 -3.685 3.376 1.00 0.00 N ATOM 177 CA SER A 12 14.430 -4.993 2.895 1.00 0.00 C ATOM 178 C SER A 12 13.633 -5.779 3.963 1.00 0.00 C ATOM 179 O SER A 12 13.946 -5.737 5.178 1.00 0.00 O ATOM 180 CB SER A 12 15.659 -5.783 2.395 1.00 0.00 C ATOM 181 OG SER A 12 15.278 -6.966 1.712 1.00 0.00 O ATOM 0 H SER A 12 15.739 -3.653 3.832 1.00 0.00 H new ATOM 0 HA SER A 12 13.758 -4.851 2.049 1.00 0.00 H new ATOM 0 HB2 SER A 12 16.251 -5.153 1.731 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.296 -6.040 3.242 1.00 0.00 H new ATOM 0 HG SER A 12 16.080 -7.441 1.408 1.00 0.00 H new ATOM 187 N HIS A 13 12.589 -6.453 3.519 1.00 0.00 N ATOM 188 CA HIS A 13 11.766 -7.279 4.373 1.00 0.00 C ATOM 189 C HIS A 13 11.334 -8.515 3.622 1.00 0.00 C ATOM 190 O HIS A 13 10.497 -8.430 2.718 1.00 0.00 O ATOM 191 CB HIS A 13 10.512 -6.528 4.900 1.00 0.00 C ATOM 192 CG HIS A 13 9.567 -7.415 5.694 1.00 0.00 C ATOM 193 ND1 HIS A 13 8.368 -7.887 5.196 1.00 0.00 N ATOM 194 CD2 HIS A 13 9.699 -7.976 6.919 1.00 0.00 C ATOM 195 CE1 HIS A 13 7.825 -8.702 6.067 1.00 0.00 C ATOM 196 NE2 HIS A 13 8.604 -8.774 7.120 1.00 0.00 N ATOM 0 H HIS A 13 12.288 -6.440 2.545 1.00 0.00 H new ATOM 0 HA HIS A 13 12.371 -7.551 5.238 1.00 0.00 H new ATOM 0 HB2 HIS A 13 10.833 -5.697 5.528 1.00 0.00 H new ATOM 0 HB3 HIS A 13 9.973 -6.099 4.055 1.00 0.00 H new ATOM 0 HD1 HIS A 13 7.968 -7.640 4.291 1.00 0.00 H new ATOM 0 HD2 HIS A 13 10.515 -7.823 7.609 1.00 0.00 H new ATOM 0 HE1 HIS A 13 6.890 -9.228 5.939 1.00 0.00 H new ATOM 205 N ARG A 14 11.917 -9.641 3.994 1.00 0.00 N ATOM 206 CA ARG A 14 11.571 -10.959 3.449 1.00 0.00 C ATOM 207 C ARG A 14 11.838 -11.045 1.940 1.00 0.00 C ATOM 208 O ARG A 14 12.951 -11.350 1.512 1.00 0.00 O ATOM 209 CB ARG A 14 10.093 -11.341 3.734 1.00 0.00 C ATOM 210 CG ARG A 14 9.678 -11.501 5.198 1.00 0.00 C ATOM 211 CD ARG A 14 10.260 -12.739 5.846 1.00 0.00 C ATOM 212 NE ARG A 14 9.685 -12.974 7.187 1.00 0.00 N ATOM 213 CZ ARG A 14 10.052 -13.950 8.035 1.00 0.00 C ATOM 214 NH1 ARG A 14 11.040 -14.787 7.716 1.00 0.00 N ATOM 215 NH2 ARG A 14 9.400 -14.093 9.188 1.00 0.00 N ATOM 0 H ARG A 14 12.658 -9.675 4.695 1.00 0.00 H new ATOM 0 HA ARG A 14 12.219 -11.671 3.961 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.455 -10.580 3.284 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.882 -12.278 3.219 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.995 -10.621 5.758 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.591 -11.543 5.259 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.071 -13.605 5.212 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.342 -12.633 5.927 1.00 0.00 H new ATOM 0 HE ARG A 14 8.947 -12.341 7.495 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.523 -14.689 6.823 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.313 -15.525 8.365 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.630 -13.465 9.420 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.670 -14.830 9.839 1.00 0.00 H new ATOM 229 N ASP A 15 10.828 -10.694 1.158 1.00 0.00 N ATOM 230 CA ASP A 15 10.859 -10.830 -0.277 1.00 0.00 C ATOM 231 C ASP A 15 10.452 -9.540 -0.999 1.00 0.00 C ATOM 232 O ASP A 15 10.051 -9.568 -2.158 1.00 0.00 O ATOM 233 CB ASP A 15 10.020 -12.048 -0.731 1.00 0.00 C ATOM 234 CG ASP A 15 8.552 -11.990 -0.354 1.00 0.00 C ATOM 235 OD1 ASP A 15 8.191 -12.430 0.768 1.00 0.00 O ATOM 236 OD2 ASP A 15 7.732 -11.567 -1.169 1.00 0.00 O ATOM 0 H ASP A 15 9.956 -10.302 1.514 1.00 0.00 H new ATOM 0 HA ASP A 15 11.894 -11.015 -0.565 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.098 -12.141 -1.814 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.455 -12.950 -0.301 1.00 0.00 H new ATOM 241 N LYS A 16 10.595 -8.398 -0.330 1.00 0.00 N ATOM 242 CA LYS A 16 10.497 -7.077 -0.989 1.00 0.00 C ATOM 243 C LYS A 16 11.357 -6.087 -0.240 1.00 0.00 C ATOM 244 O LYS A 16 11.832 -6.382 0.853 1.00 0.00 O ATOM 245 CB LYS A 16 9.082 -6.464 -1.128 1.00 0.00 C ATOM 246 CG LYS A 16 8.034 -7.245 -1.944 1.00 0.00 C ATOM 247 CD LYS A 16 7.345 -8.347 -1.161 1.00 0.00 C ATOM 248 CE LYS A 16 6.675 -7.809 0.066 1.00 0.00 C ATOM 249 NZ LYS A 16 5.633 -6.806 -0.213 1.00 0.00 N ATOM 0 H LYS A 16 10.780 -8.350 0.672 1.00 0.00 H new ATOM 0 HA LYS A 16 10.830 -7.267 -2.009 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.682 -6.316 -0.125 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.188 -5.477 -1.578 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.281 -6.548 -2.312 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.519 -7.681 -2.817 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.607 -8.839 -1.795 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.075 -9.104 -0.876 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.230 -8.637 0.617 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.430 -7.364 0.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.158 -6.543 0.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.068 -5.961 -0.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.936 -7.204 -0.874 1.00 0.00 H new ATOM 263 N CYS A 17 11.543 -4.924 -0.809 1.00 0.00 N ATOM 264 CA CYS A 17 12.347 -3.896 -0.194 1.00 0.00 C ATOM 265 C CYS A 17 11.595 -2.574 -0.352 1.00 0.00 C ATOM 266 O CYS A 17 11.052 -2.320 -1.404 1.00 0.00 O ATOM 267 CB CYS A 17 13.692 -3.890 -0.886 1.00 0.00 C ATOM 268 SG CYS A 17 15.015 -3.007 -0.044 1.00 0.00 S ATOM 0 H CYS A 17 11.143 -4.662 -1.710 1.00 0.00 H new ATOM 0 HA CYS A 17 12.519 -4.064 0.869 1.00 0.00 H new ATOM 0 HB2 CYS A 17 14.008 -4.923 -1.030 1.00 0.00 H new ATOM 0 HB3 CYS A 17 13.566 -3.454 -1.877 1.00 0.00 H new ATOM 273 N PHE A 18 11.543 -1.766 0.687 1.00 0.00 N ATOM 274 CA PHE A 18 10.637 -0.594 0.725 1.00 0.00 C ATOM 275 C PHE A 18 11.358 0.756 0.758 1.00 0.00 C ATOM 276 O PHE A 18 12.492 0.854 1.185 1.00 0.00 O ATOM 277 CB PHE A 18 9.750 -0.684 1.967 1.00 0.00 C ATOM 278 CG PHE A 18 9.120 -2.028 2.168 1.00 0.00 C ATOM 279 CD1 PHE A 18 8.458 -2.667 1.139 1.00 0.00 C ATOM 280 CD2 PHE A 18 9.215 -2.656 3.386 1.00 0.00 C ATOM 281 CE1 PHE A 18 7.904 -3.914 1.322 1.00 0.00 C ATOM 282 CE2 PHE A 18 8.655 -3.903 3.581 1.00 0.00 C ATOM 283 CZ PHE A 18 7.999 -4.535 2.541 1.00 0.00 C ATOM 0 H PHE A 18 12.111 -1.884 1.526 1.00 0.00 H new ATOM 0 HA PHE A 18 10.062 -0.631 -0.200 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.346 -0.438 2.846 1.00 0.00 H new ATOM 0 HB3 PHE A 18 8.964 0.068 1.895 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.374 -2.182 0.178 1.00 0.00 H new ATOM 0 HD2 PHE A 18 9.733 -2.169 4.199 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.394 -4.403 0.505 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.729 -4.384 4.545 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.564 -5.512 2.688 1.00 0.00 H new ATOM 293 N HIS A 19 10.658 1.791 0.312 1.00 0.00 N ATOM 294 CA HIS A 19 11.135 3.176 0.334 1.00 0.00 C ATOM 295 C HIS A 19 9.954 4.071 0.716 1.00 0.00 C ATOM 296 O HIS A 19 8.978 4.153 -0.037 1.00 0.00 O ATOM 297 CB HIS A 19 11.633 3.580 -1.070 1.00 0.00 C ATOM 298 CG HIS A 19 12.363 4.902 -1.164 1.00 0.00 C ATOM 299 ND1 HIS A 19 13.708 4.997 -1.454 1.00 0.00 N ATOM 300 CD2 HIS A 19 11.917 6.182 -1.072 1.00 0.00 C ATOM 301 CE1 HIS A 19 14.051 6.266 -1.537 1.00 0.00 C ATOM 302 NE2 HIS A 19 12.984 6.999 -1.308 1.00 0.00 N ATOM 0 H HIS A 19 9.723 1.694 -0.084 1.00 0.00 H new ATOM 0 HA HIS A 19 11.953 3.280 1.047 1.00 0.00 H new ATOM 0 HB2 HIS A 19 12.295 2.796 -1.438 1.00 0.00 H new ATOM 0 HB3 HIS A 19 10.775 3.614 -1.742 1.00 0.00 H new ATOM 0 HD2 HIS A 19 10.907 6.494 -0.853 1.00 0.00 H new ATOM 0 HE1 HIS A 19 15.040 6.640 -1.756 1.00 0.00 H new ATOM 0 HE2 HIS A 19 12.958 8.019 -1.307 1.00 0.00 H new ATOM 311 N VAL A 20 10.029 4.718 1.858 1.00 0.00 N ATOM 312 CA VAL A 20 8.950 5.591 2.319 1.00 0.00 C ATOM 313 C VAL A 20 9.229 7.033 1.909 1.00 0.00 C ATOM 314 O VAL A 20 10.057 7.718 2.524 1.00 0.00 O ATOM 315 CB VAL A 20 8.788 5.530 3.862 1.00 0.00 C ATOM 316 CG1 VAL A 20 7.694 6.484 4.332 1.00 0.00 C ATOM 317 CG2 VAL A 20 8.484 4.109 4.310 1.00 0.00 C ATOM 0 H VAL A 20 10.825 4.662 2.493 1.00 0.00 H new ATOM 0 HA VAL A 20 8.027 5.241 1.856 1.00 0.00 H new ATOM 0 HB VAL A 20 9.729 5.843 4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.599 6.423 5.416 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.953 7.504 4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.747 6.208 3.869 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.374 4.085 5.394 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.559 3.770 3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.301 3.451 4.014 1.00 0.00 H new ATOM 327 N SER A 21 8.605 7.459 0.854 1.00 0.00 N ATOM 328 CA SER A 21 8.733 8.808 0.388 1.00 0.00 C ATOM 329 C SER A 21 7.844 9.722 1.256 1.00 0.00 C ATOM 330 O SER A 21 6.624 9.611 1.199 1.00 0.00 O ATOM 331 CB SER A 21 8.276 8.865 -1.066 1.00 0.00 C ATOM 332 OG SER A 21 8.817 7.774 -1.818 1.00 0.00 O ATOM 0 H SER A 21 7.988 6.877 0.287 1.00 0.00 H new ATOM 0 HA SER A 21 9.768 9.142 0.458 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.187 8.837 -1.110 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.589 9.809 -1.512 1.00 0.00 H new ATOM 0 HG SER A 21 8.279 7.634 -2.625 1.00 0.00 H new ATOM 338 N GLN A 22 8.448 10.609 2.055 1.00 0.00 N ATOM 339 CA GLN A 22 7.691 11.557 2.916 1.00 0.00 C ATOM 340 C GLN A 22 7.267 12.810 2.154 1.00 0.00 C ATOM 341 O GLN A 22 6.855 13.811 2.746 1.00 0.00 O ATOM 342 CB GLN A 22 8.460 11.957 4.179 1.00 0.00 C ATOM 343 CG GLN A 22 8.581 10.871 5.241 1.00 0.00 C ATOM 344 CD GLN A 22 7.243 10.434 5.880 1.00 0.00 C ATOM 345 OE1 GLN A 22 7.108 9.292 6.293 1.00 0.00 O ATOM 346 NE2 GLN A 22 6.266 11.337 5.997 1.00 0.00 N ATOM 0 H GLN A 22 9.461 10.699 2.131 1.00 0.00 H new ATOM 0 HA GLN A 22 6.797 11.015 3.225 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.463 12.272 3.889 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.970 12.823 4.623 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.056 9.998 4.794 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.245 11.226 6.029 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.402 12.284 5.644 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.384 11.079 6.439 1.00 0.00 H new ATOM 355 N VAL A 23 7.353 12.749 0.871 1.00 0.00 N ATOM 356 CA VAL A 23 6.947 13.850 0.022 1.00 0.00 C ATOM 357 C VAL A 23 5.592 13.523 -0.542 1.00 0.00 C ATOM 358 O VAL A 23 5.263 12.352 -0.667 1.00 0.00 O ATOM 359 CB VAL A 23 7.975 14.170 -1.099 1.00 0.00 C ATOM 360 CG1 VAL A 23 9.191 14.856 -0.503 1.00 0.00 C ATOM 361 CG2 VAL A 23 8.410 12.906 -1.824 1.00 0.00 C ATOM 0 H VAL A 23 7.706 11.937 0.364 1.00 0.00 H new ATOM 0 HA VAL A 23 6.899 14.758 0.622 1.00 0.00 H new ATOM 0 HB VAL A 23 7.494 14.832 -1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.908 15.078 -1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.885 15.784 -0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.655 14.200 0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 23 9.129 13.162 -2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.873 12.220 -1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.541 12.428 -2.276 1.00 0.00 H new ATOM 371 N SER A 24 4.806 14.512 -0.854 1.00 0.00 N ATOM 372 CA SER A 24 3.439 14.252 -1.243 1.00 0.00 C ATOM 373 C SER A 24 3.191 14.330 -2.761 1.00 0.00 C ATOM 374 O SER A 24 3.938 14.970 -3.513 1.00 0.00 O ATOM 375 CB SER A 24 2.481 15.147 -0.454 1.00 0.00 C ATOM 376 OG SER A 24 2.701 14.999 0.957 1.00 0.00 O ATOM 0 H SER A 24 5.077 15.495 -0.849 1.00 0.00 H new ATOM 0 HA SER A 24 3.236 13.212 -0.987 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.625 16.188 -0.743 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.450 14.889 -0.696 1.00 0.00 H new ATOM 0 HG SER A 24 2.482 15.839 1.412 1.00 0.00 H new ATOM 382 N ASN A 25 2.156 13.631 -3.165 1.00 0.00 N ATOM 383 CA ASN A 25 1.647 13.491 -4.515 1.00 0.00 C ATOM 384 C ASN A 25 0.274 12.884 -4.427 1.00 0.00 C ATOM 385 O ASN A 25 -0.212 12.589 -3.331 1.00 0.00 O ATOM 386 CB ASN A 25 2.471 12.501 -5.346 1.00 0.00 C ATOM 387 CG ASN A 25 3.618 13.075 -6.134 1.00 0.00 C ATOM 388 OD1 ASN A 25 3.666 14.266 -6.421 1.00 0.00 O ATOM 389 ND2 ASN A 25 4.465 12.210 -6.612 1.00 0.00 N ATOM 0 H ASN A 25 1.597 13.097 -2.500 1.00 0.00 H new ATOM 0 HA ASN A 25 1.672 14.477 -4.978 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.866 11.739 -4.675 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.799 11.997 -6.040 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.201 12.515 -7.249 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.393 11.227 -6.350 1.00 0.00 H new ATOM 396 N THR A 26 -0.352 12.689 -5.548 1.00 0.00 N ATOM 397 CA THR A 26 -1.551 11.915 -5.577 1.00 0.00 C ATOM 398 C THR A 26 -1.147 10.445 -5.684 1.00 0.00 C ATOM 399 O THR A 26 0.043 10.137 -5.934 1.00 0.00 O ATOM 400 CB THR A 26 -2.449 12.303 -6.765 1.00 0.00 C ATOM 401 OG1 THR A 26 -1.717 12.174 -7.992 1.00 0.00 O ATOM 402 CG2 THR A 26 -2.949 13.725 -6.607 1.00 0.00 C ATOM 0 H THR A 26 -0.052 13.055 -6.451 1.00 0.00 H new ATOM 0 HA THR A 26 -2.126 12.100 -4.670 1.00 0.00 H new ATOM 0 HB THR A 26 -3.308 11.633 -6.789 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.274 13.023 -8.200 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.583 13.984 -7.455 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.525 13.808 -5.685 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.100 14.407 -6.567 1.00 0.00 H new ATOM 410 N TRP A 27 -2.094 9.557 -5.512 1.00 0.00 N ATOM 411 CA TRP A 27 -1.840 8.122 -5.576 1.00 0.00 C ATOM 412 C TRP A 27 -1.256 7.737 -6.935 1.00 0.00 C ATOM 413 O TRP A 27 -0.283 6.979 -7.024 1.00 0.00 O ATOM 414 CB TRP A 27 -3.150 7.372 -5.300 1.00 0.00 C ATOM 415 CG TRP A 27 -3.085 5.892 -5.480 1.00 0.00 C ATOM 416 CD1 TRP A 27 -2.752 4.959 -4.553 1.00 0.00 C ATOM 417 CD2 TRP A 27 -3.378 5.187 -6.676 1.00 0.00 C ATOM 418 NE1 TRP A 27 -2.805 3.710 -5.109 1.00 0.00 N ATOM 419 CE2 TRP A 27 -3.194 3.826 -6.424 1.00 0.00 C ATOM 420 CE3 TRP A 27 -3.772 5.597 -7.940 1.00 0.00 C ATOM 421 CZ2 TRP A 27 -3.398 2.858 -7.406 1.00 0.00 C ATOM 422 CZ3 TRP A 27 -3.973 4.670 -8.914 1.00 0.00 C ATOM 423 CH2 TRP A 27 -3.788 3.300 -8.652 1.00 0.00 C ATOM 0 H TRP A 27 -3.067 9.799 -5.323 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.106 7.846 -4.819 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -3.463 7.584 -4.278 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.923 7.768 -5.959 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -2.485 5.171 -3.528 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -2.591 2.836 -4.628 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -3.918 6.646 -8.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.257 1.807 -7.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.278 4.989 -9.900 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -3.955 2.582 -9.441 1.00 0.00 H new ATOM 434 N GLU A 28 -1.827 8.316 -7.974 1.00 0.00 N ATOM 435 CA GLU A 28 -1.436 8.040 -9.343 1.00 0.00 C ATOM 436 C GLU A 28 0.004 8.511 -9.595 1.00 0.00 C ATOM 437 O GLU A 28 0.799 7.821 -10.229 1.00 0.00 O ATOM 438 CB GLU A 28 -2.389 8.750 -10.292 1.00 0.00 C ATOM 439 CG GLU A 28 -3.843 8.330 -10.199 1.00 0.00 C ATOM 440 CD GLU A 28 -4.732 9.192 -11.062 1.00 0.00 C ATOM 441 OE1 GLU A 28 -4.762 8.996 -12.289 1.00 0.00 O ATOM 442 OE2 GLU A 28 -5.417 10.099 -10.519 1.00 0.00 O ATOM 0 H GLU A 28 -2.582 8.997 -7.891 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.482 6.965 -9.517 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.327 9.822 -10.105 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.046 8.584 -11.313 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.940 7.288 -10.504 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.173 8.391 -9.162 1.00 0.00 H new ATOM 449 N GLU A 29 0.335 9.674 -9.064 1.00 0.00 N ATOM 450 CA GLU A 29 1.667 10.235 -9.220 1.00 0.00 C ATOM 451 C GLU A 29 2.709 9.417 -8.482 1.00 0.00 C ATOM 452 O GLU A 29 3.755 9.117 -9.034 1.00 0.00 O ATOM 453 CB GLU A 29 1.701 11.657 -8.735 1.00 0.00 C ATOM 454 CG GLU A 29 0.977 12.632 -9.607 1.00 0.00 C ATOM 455 CD GLU A 29 0.882 13.973 -8.962 1.00 0.00 C ATOM 456 OE1 GLU A 29 0.126 14.107 -7.982 1.00 0.00 O ATOM 457 OE2 GLU A 29 1.589 14.906 -9.396 1.00 0.00 O ATOM 0 H GLU A 29 -0.304 10.252 -8.518 1.00 0.00 H new ATOM 0 HA GLU A 29 1.906 10.211 -10.283 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.270 11.696 -7.734 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.741 11.972 -8.647 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.494 12.722 -10.562 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.024 12.258 -9.821 1.00 0.00 H new ATOM 464 N GLY A 30 2.407 9.039 -7.243 1.00 0.00 N ATOM 465 CA GLY A 30 3.344 8.245 -6.463 1.00 0.00 C ATOM 466 C GLY A 30 3.611 6.907 -7.106 1.00 0.00 C ATOM 467 O GLY A 30 4.724 6.396 -7.042 1.00 0.00 O ATOM 0 H GLY A 30 1.535 9.266 -6.766 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.281 8.790 -6.355 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.946 8.094 -5.460 1.00 0.00 H new ATOM 471 N LEU A 31 2.584 6.366 -7.750 1.00 0.00 N ATOM 472 CA LEU A 31 2.678 5.117 -8.488 1.00 0.00 C ATOM 473 C LEU A 31 3.774 5.275 -9.564 1.00 0.00 C ATOM 474 O LEU A 31 4.744 4.495 -9.613 1.00 0.00 O ATOM 475 CB LEU A 31 1.292 4.848 -9.146 1.00 0.00 C ATOM 476 CG LEU A 31 0.969 3.447 -9.719 1.00 0.00 C ATOM 477 CD1 LEU A 31 -0.446 3.435 -10.255 1.00 0.00 C ATOM 478 CD2 LEU A 31 1.922 3.023 -10.819 1.00 0.00 C ATOM 0 H LEU A 31 1.655 6.787 -7.774 1.00 0.00 H new ATOM 0 HA LEU A 31 2.937 4.280 -7.839 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.529 5.078 -8.402 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.173 5.566 -9.957 1.00 0.00 H new ATOM 0 HG LEU A 31 1.082 2.735 -8.901 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.674 2.448 -10.659 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.142 3.667 -9.449 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.543 4.181 -11.044 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.644 2.033 -11.180 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.869 3.737 -11.641 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.939 2.994 -10.428 1.00 0.00 H new ATOM 490 N VAL A 32 3.646 6.336 -10.364 1.00 0.00 N ATOM 491 CA VAL A 32 4.586 6.620 -11.448 1.00 0.00 C ATOM 492 C VAL A 32 5.977 6.942 -10.884 1.00 0.00 C ATOM 493 O VAL A 32 7.015 6.600 -11.483 1.00 0.00 O ATOM 494 CB VAL A 32 4.078 7.785 -12.355 1.00 0.00 C ATOM 495 CG1 VAL A 32 5.050 8.075 -13.498 1.00 0.00 C ATOM 496 CG2 VAL A 32 2.706 7.454 -12.915 1.00 0.00 C ATOM 0 H VAL A 32 2.892 7.018 -10.279 1.00 0.00 H new ATOM 0 HA VAL A 32 4.659 5.726 -12.067 1.00 0.00 H new ATOM 0 HB VAL A 32 4.011 8.680 -11.736 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.662 8.891 -14.107 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.020 8.357 -13.088 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.162 7.184 -14.115 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.363 8.274 -13.546 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.765 6.541 -13.507 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.003 7.309 -12.094 1.00 0.00 H new ATOM 506 N ASP A 33 6.001 7.565 -9.725 1.00 0.00 N ATOM 507 CA ASP A 33 7.242 7.876 -9.046 1.00 0.00 C ATOM 508 C ASP A 33 7.982 6.634 -8.605 1.00 0.00 C ATOM 509 O ASP A 33 9.217 6.588 -8.664 1.00 0.00 O ATOM 510 CB ASP A 33 7.054 8.879 -7.909 1.00 0.00 C ATOM 511 CG ASP A 33 7.180 10.314 -8.386 1.00 0.00 C ATOM 512 OD1 ASP A 33 8.312 10.749 -8.690 1.00 0.00 O ATOM 513 OD2 ASP A 33 6.172 11.034 -8.478 1.00 0.00 O ATOM 0 H ASP A 33 5.164 7.870 -9.228 1.00 0.00 H new ATOM 0 HA ASP A 33 7.878 8.369 -9.782 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.073 8.733 -7.456 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.795 8.689 -7.133 1.00 0.00 H new ATOM 518 N CYS A 34 7.252 5.619 -8.191 1.00 0.00 N ATOM 519 CA CYS A 34 7.862 4.344 -7.842 1.00 0.00 C ATOM 520 C CYS A 34 8.412 3.660 -9.082 1.00 0.00 C ATOM 521 O CYS A 34 9.507 3.078 -9.047 1.00 0.00 O ATOM 522 CB CYS A 34 6.888 3.432 -7.113 1.00 0.00 C ATOM 523 SG CYS A 34 6.302 4.101 -5.531 1.00 0.00 S ATOM 0 H CYS A 34 6.238 5.648 -8.087 1.00 0.00 H new ATOM 0 HA CYS A 34 8.687 4.550 -7.160 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.029 3.244 -7.757 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.369 2.471 -6.934 1.00 0.00 H new ATOM 528 N ASP A 35 7.691 3.783 -10.202 1.00 0.00 N ATOM 529 CA ASP A 35 8.140 3.206 -11.485 1.00 0.00 C ATOM 530 C ASP A 35 9.455 3.799 -11.924 1.00 0.00 C ATOM 531 O ASP A 35 10.243 3.151 -12.610 1.00 0.00 O ATOM 532 CB ASP A 35 7.102 3.363 -12.610 1.00 0.00 C ATOM 533 CG ASP A 35 6.078 2.263 -12.628 1.00 0.00 C ATOM 534 OD1 ASP A 35 6.396 1.151 -13.104 1.00 0.00 O ATOM 535 OD2 ASP A 35 4.941 2.475 -12.197 1.00 0.00 O ATOM 0 H ASP A 35 6.798 4.273 -10.252 1.00 0.00 H new ATOM 0 HA ASP A 35 8.268 2.139 -11.300 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.595 4.321 -12.496 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.617 3.387 -13.570 1.00 0.00 H new ATOM 540 N GLY A 36 9.709 5.017 -11.478 1.00 0.00 N ATOM 541 CA GLY A 36 10.931 5.720 -11.796 1.00 0.00 C ATOM 542 C GLY A 36 12.176 5.011 -11.295 1.00 0.00 C ATOM 543 O GLY A 36 13.230 5.095 -11.912 1.00 0.00 O ATOM 0 H GLY A 36 9.069 5.544 -10.884 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.001 5.843 -12.877 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.891 6.720 -11.363 1.00 0.00 H new ATOM 547 N LYS A 37 12.061 4.276 -10.198 1.00 0.00 N ATOM 548 CA LYS A 37 13.235 3.573 -9.672 1.00 0.00 C ATOM 549 C LYS A 37 13.274 2.157 -10.195 1.00 0.00 C ATOM 550 O LYS A 37 14.131 1.371 -9.789 1.00 0.00 O ATOM 551 CB LYS A 37 13.264 3.468 -8.133 1.00 0.00 C ATOM 552 CG LYS A 37 12.984 4.737 -7.348 1.00 0.00 C ATOM 553 CD LYS A 37 11.510 4.876 -7.053 1.00 0.00 C ATOM 554 CE LYS A 37 11.207 6.083 -6.176 1.00 0.00 C ATOM 555 NZ LYS A 37 11.537 7.368 -6.822 1.00 0.00 N ATOM 0 H LYS A 37 11.200 4.149 -9.666 1.00 0.00 H new ATOM 0 HA LYS A 37 14.088 4.166 -10.002 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.535 2.716 -7.831 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.245 3.097 -7.838 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.546 4.723 -6.414 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.329 5.603 -7.914 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.961 4.964 -7.990 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.154 3.972 -6.559 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.149 6.077 -5.913 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.767 5.997 -5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.293 8.151 -6.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.555 7.399 -7.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.996 7.461 -7.706 1.00 0.00 H new ATOM 569 N GLY A 38 12.351 1.825 -11.078 1.00 0.00 N ATOM 570 CA GLY A 38 12.216 0.452 -11.500 1.00 0.00 C ATOM 571 C GLY A 38 11.599 -0.339 -10.375 1.00 0.00 C ATOM 572 O GLY A 38 11.930 -1.494 -10.141 1.00 0.00 O ATOM 0 H GLY A 38 11.696 2.478 -11.508 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.593 0.390 -12.392 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.190 0.039 -11.763 1.00 0.00 H new ATOM 576 N ALA A 39 10.721 0.323 -9.662 1.00 0.00 N ATOM 577 CA ALA A 39 10.073 -0.215 -8.508 1.00 0.00 C ATOM 578 C ALA A 39 8.580 -0.169 -8.715 1.00 0.00 C ATOM 579 O ALA A 39 8.100 0.319 -9.749 1.00 0.00 O ATOM 580 CB ALA A 39 10.439 0.599 -7.287 1.00 0.00 C ATOM 0 H ALA A 39 10.435 1.277 -9.881 1.00 0.00 H new ATOM 0 HA ALA A 39 10.394 -1.246 -8.358 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.942 0.184 -6.410 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.519 0.569 -7.140 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.121 1.632 -7.429 1.00 0.00 H new ATOM 586 N THR A 40 7.860 -0.671 -7.779 1.00 0.00 N ATOM 587 CA THR A 40 6.442 -0.649 -7.819 1.00 0.00 C ATOM 588 C THR A 40 5.916 0.105 -6.609 1.00 0.00 C ATOM 589 O THR A 40 6.657 0.326 -5.648 1.00 0.00 O ATOM 590 CB THR A 40 5.889 -2.087 -7.859 1.00 0.00 C ATOM 591 OG1 THR A 40 6.664 -2.927 -6.984 1.00 0.00 O ATOM 592 CG2 THR A 40 5.924 -2.647 -9.270 1.00 0.00 C ATOM 0 H THR A 40 8.246 -1.117 -6.947 1.00 0.00 H new ATOM 0 HA THR A 40 6.109 -0.137 -8.722 1.00 0.00 H new ATOM 0 HB THR A 40 4.851 -2.065 -7.526 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.310 -3.841 -7.009 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.528 -3.663 -9.268 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.317 -2.022 -9.925 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.952 -2.659 -9.631 1.00 0.00 H new ATOM 600 N LEU A 41 4.698 0.577 -6.683 1.00 0.00 N ATOM 601 CA LEU A 41 4.069 1.204 -5.538 1.00 0.00 C ATOM 602 C LEU A 41 3.761 0.063 -4.569 1.00 0.00 C ATOM 603 O LEU A 41 3.300 -0.973 -5.011 1.00 0.00 O ATOM 604 CB LEU A 41 2.790 1.939 -5.998 1.00 0.00 C ATOM 605 CG LEU A 41 2.031 2.816 -4.979 1.00 0.00 C ATOM 606 CD1 LEU A 41 2.895 3.949 -4.456 1.00 0.00 C ATOM 607 CD2 LEU A 41 0.776 3.389 -5.619 1.00 0.00 C ATOM 0 H LEU A 41 4.118 0.541 -7.521 1.00 0.00 H new ATOM 0 HA LEU A 41 4.701 1.951 -5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.059 2.572 -6.843 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.094 1.188 -6.371 1.00 0.00 H new ATOM 0 HG LEU A 41 1.761 2.180 -4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.324 4.542 -3.742 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.776 3.537 -3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.207 4.582 -5.287 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.247 4.006 -4.893 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.052 3.998 -6.480 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.128 2.574 -5.943 1.00 0.00 H new ATOM 619 N MET A 42 4.057 0.265 -3.288 1.00 0.00 N ATOM 620 CA MET A 42 3.995 -0.770 -2.211 1.00 0.00 C ATOM 621 C MET A 42 2.854 -1.799 -2.346 1.00 0.00 C ATOM 622 O MET A 42 1.675 -1.435 -2.379 1.00 0.00 O ATOM 623 CB MET A 42 3.903 -0.079 -0.852 1.00 0.00 C ATOM 624 CG MET A 42 3.730 -1.017 0.336 1.00 0.00 C ATOM 625 SD MET A 42 5.083 -2.161 0.532 1.00 0.00 S ATOM 626 CE MET A 42 4.459 -3.161 1.871 1.00 0.00 C ATOM 0 H MET A 42 4.358 1.175 -2.940 1.00 0.00 H new ATOM 0 HA MET A 42 4.914 -1.348 -2.310 1.00 0.00 H new ATOM 0 HB2 MET A 42 4.806 0.513 -0.700 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.065 0.617 -0.871 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.629 -0.425 1.246 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.803 -1.578 0.216 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.294 -3.596 2.420 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.866 -2.540 2.543 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.835 -3.959 1.469 1.00 0.00 H new ATOM 636 N LEU A 43 3.236 -3.080 -2.377 1.00 0.00 N ATOM 637 CA LEU A 43 2.303 -4.199 -2.470 1.00 0.00 C ATOM 638 C LEU A 43 2.397 -5.022 -1.172 1.00 0.00 C ATOM 639 O LEU A 43 3.245 -5.916 -1.053 1.00 0.00 O ATOM 640 CB LEU A 43 2.589 -5.156 -3.680 1.00 0.00 C ATOM 641 CG LEU A 43 2.607 -4.600 -5.135 1.00 0.00 C ATOM 642 CD1 LEU A 43 1.598 -3.516 -5.360 1.00 0.00 C ATOM 643 CD2 LEU A 43 3.977 -4.163 -5.581 1.00 0.00 C ATOM 0 H LEU A 43 4.214 -3.368 -2.338 1.00 0.00 H new ATOM 0 HA LEU A 43 1.311 -3.774 -2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.558 -5.622 -3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.843 -5.950 -3.647 1.00 0.00 H new ATOM 0 HG LEU A 43 2.318 -5.444 -5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.660 -3.170 -6.392 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.598 -3.904 -5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.801 -2.684 -4.686 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.924 -3.786 -6.602 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.340 -3.375 -4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.660 -5.012 -5.543 1.00 0.00 H new ATOM 655 N ILE A 44 1.570 -4.677 -0.204 1.00 0.00 N ATOM 656 CA ILE A 44 1.543 -5.311 1.130 1.00 0.00 C ATOM 657 C ILE A 44 1.201 -6.801 1.032 1.00 0.00 C ATOM 658 O ILE A 44 0.219 -7.194 0.398 1.00 0.00 O ATOM 659 CB ILE A 44 0.508 -4.619 2.055 1.00 0.00 C ATOM 660 CG1 ILE A 44 0.734 -3.104 2.071 1.00 0.00 C ATOM 661 CG2 ILE A 44 0.607 -5.177 3.486 1.00 0.00 C ATOM 662 CD1 ILE A 44 -0.362 -2.340 2.771 1.00 0.00 C ATOM 0 H ILE A 44 0.878 -3.935 -0.310 1.00 0.00 H new ATOM 0 HA ILE A 44 2.541 -5.200 1.554 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.489 -4.823 1.665 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.684 -2.891 2.561 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.817 -2.746 1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.126 -4.680 4.122 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.409 -6.249 3.473 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.608 -4.997 3.878 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.137 -1.274 2.744 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.311 -2.523 2.268 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.431 -2.670 3.807 1.00 0.00 H new ATOM 674 N GLN A 45 2.020 -7.601 1.654 1.00 0.00 N ATOM 675 CA GLN A 45 1.872 -9.038 1.639 1.00 0.00 C ATOM 676 C GLN A 45 1.228 -9.593 2.934 1.00 0.00 C ATOM 677 O GLN A 45 0.393 -10.504 2.881 1.00 0.00 O ATOM 678 CB GLN A 45 3.262 -9.626 1.488 1.00 0.00 C ATOM 679 CG GLN A 45 3.356 -11.130 1.554 1.00 0.00 C ATOM 680 CD GLN A 45 4.783 -11.541 1.735 1.00 0.00 C ATOM 681 OE1 GLN A 45 5.257 -11.676 2.869 1.00 0.00 O ATOM 682 NE2 GLN A 45 5.478 -11.720 0.652 1.00 0.00 N ATOM 0 H GLN A 45 2.821 -7.274 2.194 1.00 0.00 H new ATOM 0 HA GLN A 45 1.209 -9.311 0.818 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.672 -9.298 0.533 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.898 -9.208 2.268 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.752 -11.505 2.380 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.955 -11.569 0.641 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.040 -11.596 -0.261 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.461 -11.984 0.715 1.00 0.00 H new ATOM 691 N ASP A 46 1.573 -9.013 4.070 1.00 0.00 N ATOM 692 CA ASP A 46 1.276 -9.630 5.368 1.00 0.00 C ATOM 693 C ASP A 46 1.269 -8.544 6.467 1.00 0.00 C ATOM 694 O ASP A 46 1.410 -7.357 6.166 1.00 0.00 O ATOM 695 CB ASP A 46 2.403 -10.679 5.642 1.00 0.00 C ATOM 696 CG ASP A 46 2.210 -11.539 6.873 1.00 0.00 C ATOM 697 OD1 ASP A 46 2.633 -11.132 7.967 1.00 0.00 O ATOM 698 OD2 ASP A 46 1.641 -12.634 6.762 1.00 0.00 O ATOM 0 H ASP A 46 2.058 -8.118 4.129 1.00 0.00 H new ATOM 0 HA ASP A 46 0.298 -10.112 5.366 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.486 -11.332 4.773 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.352 -10.151 5.735 1.00 0.00 H new ATOM 703 N GLN A 47 1.111 -8.946 7.717 1.00 0.00 N ATOM 704 CA GLN A 47 1.148 -8.050 8.846 1.00 0.00 C ATOM 705 C GLN A 47 2.571 -7.665 9.197 1.00 0.00 C ATOM 706 O GLN A 47 2.805 -6.521 9.582 1.00 0.00 O ATOM 707 CB GLN A 47 0.439 -8.633 10.060 1.00 0.00 C ATOM 708 CG GLN A 47 -1.023 -8.269 10.156 1.00 0.00 C ATOM 709 CD GLN A 47 -1.211 -6.786 10.414 1.00 0.00 C ATOM 710 OE1 GLN A 47 -1.264 -6.348 11.546 1.00 0.00 O ATOM 711 NE2 GLN A 47 -1.280 -6.001 9.373 1.00 0.00 N ATOM 0 H GLN A 47 0.951 -9.920 7.973 1.00 0.00 H new ATOM 0 HA GLN A 47 0.611 -7.149 8.550 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.531 -9.719 10.034 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.947 -8.292 10.962 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.529 -8.546 9.231 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.490 -8.841 10.958 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.233 -6.395 8.433 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.381 -4.994 9.499 1.00 0.00 H new ATOM 720 N GLU A 48 3.537 -8.599 9.001 1.00 0.00 N ATOM 721 CA GLU A 48 4.964 -8.307 9.255 1.00 0.00 C ATOM 722 C GLU A 48 5.381 -7.136 8.422 1.00 0.00 C ATOM 723 O GLU A 48 6.194 -6.321 8.835 1.00 0.00 O ATOM 724 CB GLU A 48 5.885 -9.449 8.839 1.00 0.00 C ATOM 725 CG GLU A 48 5.914 -10.692 9.681 1.00 0.00 C ATOM 726 CD GLU A 48 7.037 -11.615 9.213 1.00 0.00 C ATOM 727 OE1 GLU A 48 7.970 -11.138 8.482 1.00 0.00 O ATOM 728 OE2 GLU A 48 7.026 -12.818 9.550 1.00 0.00 O ATOM 0 H GLU A 48 3.353 -9.547 8.672 1.00 0.00 H new ATOM 0 HA GLU A 48 5.052 -8.132 10.327 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.612 -9.742 7.825 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.901 -9.056 8.794 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.062 -10.428 10.728 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.956 -11.208 9.615 1.00 0.00 H new ATOM 735 N GLU A 49 4.801 -7.072 7.242 1.00 0.00 N ATOM 736 CA GLU A 49 5.054 -6.026 6.301 1.00 0.00 C ATOM 737 C GLU A 49 4.718 -4.705 6.913 1.00 0.00 C ATOM 738 O GLU A 49 5.583 -3.892 7.117 1.00 0.00 O ATOM 739 CB GLU A 49 4.142 -6.251 5.132 1.00 0.00 C ATOM 740 CG GLU A 49 4.474 -7.466 4.339 1.00 0.00 C ATOM 741 CD GLU A 49 5.360 -7.130 3.224 1.00 0.00 C ATOM 742 OE1 GLU A 49 4.823 -6.625 2.219 1.00 0.00 O ATOM 743 OE2 GLU A 49 6.583 -7.367 3.312 1.00 0.00 O ATOM 0 H GLU A 49 4.128 -7.765 6.913 1.00 0.00 H new ATOM 0 HA GLU A 49 6.102 -6.028 6.002 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.117 -6.332 5.493 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.182 -5.379 4.479 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.953 -8.205 4.981 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.559 -7.919 3.959 1.00 0.00 H new ATOM 750 N LEU A 50 3.488 -4.564 7.352 1.00 0.00 N ATOM 751 CA LEU A 50 3.045 -3.311 7.888 1.00 0.00 C ATOM 752 C LEU A 50 3.682 -2.969 9.199 1.00 0.00 C ATOM 753 O LEU A 50 3.883 -1.811 9.491 1.00 0.00 O ATOM 754 CB LEU A 50 1.545 -3.193 7.923 1.00 0.00 C ATOM 755 CG LEU A 50 0.900 -3.167 6.551 1.00 0.00 C ATOM 756 CD1 LEU A 50 -0.609 -3.051 6.664 1.00 0.00 C ATOM 757 CD2 LEU A 50 1.497 -2.024 5.720 1.00 0.00 C ATOM 0 H LEU A 50 2.784 -5.302 7.346 1.00 0.00 H new ATOM 0 HA LEU A 50 3.395 -2.553 7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.137 -4.030 8.490 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.274 -2.283 8.459 1.00 0.00 H new ATOM 0 HG LEU A 50 1.110 -4.107 6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.048 -3.034 5.667 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.999 -3.905 7.218 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.865 -2.130 7.189 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.031 -2.009 4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.314 -1.074 6.223 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.571 -2.176 5.611 1.00 0.00 H new ATOM 769 N ARG A 51 4.031 -3.968 9.966 1.00 0.00 N ATOM 770 CA ARG A 51 4.754 -3.746 11.202 1.00 0.00 C ATOM 771 C ARG A 51 6.137 -3.169 10.877 1.00 0.00 C ATOM 772 O ARG A 51 6.608 -2.246 11.543 1.00 0.00 O ATOM 773 CB ARG A 51 4.866 -5.052 12.008 1.00 0.00 C ATOM 774 CG ARG A 51 3.527 -5.647 12.428 1.00 0.00 C ATOM 775 CD ARG A 51 2.711 -4.719 13.312 1.00 0.00 C ATOM 776 NE ARG A 51 1.338 -5.223 13.501 1.00 0.00 N ATOM 777 CZ ARG A 51 0.342 -4.544 14.099 1.00 0.00 C ATOM 778 NH1 ARG A 51 0.606 -3.433 14.778 1.00 0.00 N ATOM 779 NH2 ARG A 51 -0.904 -5.004 14.051 1.00 0.00 N ATOM 0 H ARG A 51 3.829 -4.947 9.761 1.00 0.00 H new ATOM 0 HA ARG A 51 4.211 -3.031 11.820 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.406 -5.788 11.412 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.463 -4.864 12.901 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.949 -5.890 11.536 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.703 -6.583 12.959 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.199 -4.616 14.281 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.677 -3.725 12.865 1.00 0.00 H new ATOM 0 HE ARG A 51 1.127 -6.158 13.152 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.565 -3.093 14.847 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.151 -2.920 15.230 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.108 -5.874 13.560 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.656 -4.487 14.505 1.00 0.00 H new ATOM 793 N PHE A 52 6.741 -3.673 9.803 1.00 0.00 N ATOM 794 CA PHE A 52 8.029 -3.188 9.346 1.00 0.00 C ATOM 795 C PHE A 52 7.857 -1.813 8.687 1.00 0.00 C ATOM 796 O PHE A 52 8.784 -0.978 8.677 1.00 0.00 O ATOM 797 CB PHE A 52 8.667 -4.194 8.385 1.00 0.00 C ATOM 798 CG PHE A 52 10.085 -3.878 8.019 1.00 0.00 C ATOM 799 CD1 PHE A 52 11.099 -4.048 8.943 1.00 0.00 C ATOM 800 CD2 PHE A 52 10.404 -3.414 6.763 1.00 0.00 C ATOM 801 CE1 PHE A 52 12.407 -3.763 8.619 1.00 0.00 C ATOM 802 CE2 PHE A 52 11.707 -3.128 6.429 1.00 0.00 C ATOM 803 CZ PHE A 52 12.713 -3.302 7.359 1.00 0.00 C ATOM 0 H PHE A 52 6.350 -4.423 9.233 1.00 0.00 H new ATOM 0 HA PHE A 52 8.699 -3.078 10.199 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.632 -5.185 8.838 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.070 -4.239 7.474 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.862 -4.409 9.933 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.622 -3.273 6.031 1.00 0.00 H new ATOM 0 HE1 PHE A 52 13.189 -3.901 9.351 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.944 -2.767 5.439 1.00 0.00 H new ATOM 0 HZ PHE A 52 13.737 -3.077 7.098 1.00 0.00 H new ATOM 813 N LEU A 53 6.663 -1.576 8.135 1.00 0.00 N ATOM 814 CA LEU A 53 6.328 -0.280 7.605 1.00 0.00 C ATOM 815 C LEU A 53 6.310 0.698 8.714 1.00 0.00 C ATOM 816 O LEU A 53 6.968 1.675 8.646 1.00 0.00 O ATOM 817 CB LEU A 53 4.994 -0.239 6.819 1.00 0.00 C ATOM 818 CG LEU A 53 5.059 -0.505 5.296 1.00 0.00 C ATOM 819 CD1 LEU A 53 5.903 0.528 4.618 1.00 0.00 C ATOM 820 CD2 LEU A 53 5.596 -1.867 4.963 1.00 0.00 C ATOM 0 H LEU A 53 5.923 -2.273 8.050 1.00 0.00 H new ATOM 0 HA LEU A 53 7.095 -0.026 6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.319 -0.972 7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.543 0.742 6.971 1.00 0.00 H new ATOM 0 HG LEU A 53 4.032 -0.453 4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.937 0.325 3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.474 1.516 4.786 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.913 0.497 5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.618 -1.995 3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.606 -1.967 5.361 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.955 -2.629 5.406 1.00 0.00 H new ATOM 832 N LEU A 54 5.606 0.381 9.768 1.00 0.00 N ATOM 833 CA LEU A 54 5.530 1.244 10.942 1.00 0.00 C ATOM 834 C LEU A 54 6.932 1.599 11.482 1.00 0.00 C ATOM 835 O LEU A 54 7.166 2.735 11.912 1.00 0.00 O ATOM 836 CB LEU A 54 4.664 0.598 12.028 1.00 0.00 C ATOM 837 CG LEU A 54 3.250 0.186 11.597 1.00 0.00 C ATOM 838 CD1 LEU A 54 2.429 -0.289 12.780 1.00 0.00 C ATOM 839 CD2 LEU A 54 2.544 1.303 10.832 1.00 0.00 C ATOM 0 H LEU A 54 5.065 -0.480 9.848 1.00 0.00 H new ATOM 0 HA LEU A 54 5.059 2.179 10.639 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.182 -0.286 12.401 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.581 1.295 12.862 1.00 0.00 H new ATOM 0 HG LEU A 54 3.351 -0.655 10.911 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.433 -0.573 12.441 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.916 -1.150 13.239 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.347 0.514 13.512 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.546 0.972 10.544 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.465 2.185 11.467 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.116 1.550 9.938 1.00 0.00 H new ATOM 851 N ASP A 55 7.869 0.650 11.386 1.00 0.00 N ATOM 852 CA ASP A 55 9.259 0.877 11.826 1.00 0.00 C ATOM 853 C ASP A 55 10.005 1.837 10.904 1.00 0.00 C ATOM 854 O ASP A 55 10.885 2.580 11.350 1.00 0.00 O ATOM 855 CB ASP A 55 10.069 -0.427 11.940 1.00 0.00 C ATOM 856 CG ASP A 55 9.592 -1.351 13.031 1.00 0.00 C ATOM 857 OD1 ASP A 55 9.276 -0.870 14.143 1.00 0.00 O ATOM 858 OD2 ASP A 55 9.577 -2.590 12.823 1.00 0.00 O ATOM 0 H ASP A 55 7.696 -0.282 11.009 1.00 0.00 H new ATOM 0 HA ASP A 55 9.172 1.322 12.817 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.026 -0.954 10.987 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.115 -0.179 12.120 1.00 0.00 H new ATOM 863 N SER A 56 9.684 1.810 9.632 1.00 0.00 N ATOM 864 CA SER A 56 10.320 2.688 8.670 1.00 0.00 C ATOM 865 C SER A 56 9.575 4.033 8.579 1.00 0.00 C ATOM 866 O SER A 56 10.198 5.099 8.558 1.00 0.00 O ATOM 867 CB SER A 56 10.440 1.978 7.313 1.00 0.00 C ATOM 868 OG SER A 56 9.225 1.338 6.956 1.00 0.00 O ATOM 0 H SER A 56 8.982 1.186 9.234 1.00 0.00 H new ATOM 0 HA SER A 56 11.331 2.921 9.004 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.712 2.702 6.544 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.242 1.242 7.355 1.00 0.00 H new ATOM 0 HG SER A 56 9.152 0.485 7.433 1.00 0.00 H new ATOM 874 N ILE A 57 8.246 3.953 8.567 1.00 0.00 N ATOM 875 CA ILE A 57 7.338 5.097 8.566 1.00 0.00 C ATOM 876 C ILE A 57 7.651 5.989 9.761 1.00 0.00 C ATOM 877 O ILE A 57 7.898 7.193 9.609 1.00 0.00 O ATOM 878 CB ILE A 57 5.843 4.615 8.682 1.00 0.00 C ATOM 879 CG1 ILE A 57 5.366 3.835 7.440 1.00 0.00 C ATOM 880 CG2 ILE A 57 4.895 5.741 9.006 1.00 0.00 C ATOM 881 CD1 ILE A 57 5.393 4.603 6.155 1.00 0.00 C ATOM 0 H ILE A 57 7.755 3.059 8.557 1.00 0.00 H new ATOM 0 HA ILE A 57 7.471 5.645 7.633 1.00 0.00 H new ATOM 0 HB ILE A 57 5.829 3.922 9.523 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.988 2.947 7.327 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.347 3.490 7.617 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.879 5.353 9.074 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.176 6.191 9.958 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.943 6.495 8.220 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.040 3.967 5.343 1.00 0.00 H new ATOM 0 HD12 ILE A 57 4.746 5.476 6.239 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.413 4.926 5.945 1.00 0.00 H new ATOM 893 N LYS A 58 7.622 5.372 10.943 1.00 0.00 N ATOM 894 CA LYS A 58 7.919 5.996 12.227 1.00 0.00 C ATOM 895 C LYS A 58 6.873 7.029 12.673 1.00 0.00 C ATOM 896 O LYS A 58 6.252 6.863 13.731 1.00 0.00 O ATOM 897 CB LYS A 58 9.347 6.575 12.261 1.00 0.00 C ATOM 898 CG LYS A 58 9.775 7.131 13.611 1.00 0.00 C ATOM 899 CD LYS A 58 9.551 6.105 14.700 1.00 0.00 C ATOM 900 CE LYS A 58 10.237 6.473 15.993 1.00 0.00 C ATOM 901 NZ LYS A 58 10.072 5.414 17.007 1.00 0.00 N ATOM 0 H LYS A 58 7.381 4.385 11.032 1.00 0.00 H new ATOM 0 HA LYS A 58 7.865 5.193 12.962 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.048 5.794 11.966 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.421 7.368 11.517 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.828 7.412 13.578 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.210 8.036 13.834 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.481 5.997 14.878 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.917 5.136 14.362 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.298 6.641 15.809 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.827 7.409 16.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.554 5.695 17.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.060 5.271 17.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.486 4.528 16.654 1.00 0.00 H new ATOM 915 N GLU A 59 6.662 8.053 11.868 1.00 0.00 N ATOM 916 CA GLU A 59 5.774 9.149 12.235 1.00 0.00 C ATOM 917 C GLU A 59 4.322 8.682 12.348 1.00 0.00 C ATOM 918 O GLU A 59 3.576 9.188 13.155 1.00 0.00 O ATOM 919 CB GLU A 59 5.871 10.309 11.252 1.00 0.00 C ATOM 920 CG GLU A 59 7.270 10.855 11.037 1.00 0.00 C ATOM 921 CD GLU A 59 7.265 12.077 10.148 1.00 0.00 C ATOM 922 OE1 GLU A 59 6.410 12.172 9.244 1.00 0.00 O ATOM 923 OE2 GLU A 59 8.120 12.965 10.320 1.00 0.00 O ATOM 0 H GLU A 59 7.094 8.152 10.950 1.00 0.00 H new ATOM 0 HA GLU A 59 6.103 9.501 13.213 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.473 9.985 10.291 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.232 11.118 11.605 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.713 11.108 12.000 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.897 10.083 10.590 1.00 0.00 H new ATOM 930 N LYS A 60 3.949 7.723 11.501 1.00 0.00 N ATOM 931 CA LYS A 60 2.615 7.069 11.482 1.00 0.00 C ATOM 932 C LYS A 60 1.475 7.942 10.957 1.00 0.00 C ATOM 933 O LYS A 60 0.846 7.604 9.960 1.00 0.00 O ATOM 934 CB LYS A 60 2.193 6.512 12.855 1.00 0.00 C ATOM 935 CG LYS A 60 3.005 5.362 13.407 1.00 0.00 C ATOM 936 CD LYS A 60 2.375 4.897 14.711 1.00 0.00 C ATOM 937 CE LYS A 60 3.094 3.717 15.317 1.00 0.00 C ATOM 938 NZ LYS A 60 2.441 3.273 16.562 1.00 0.00 N ATOM 0 H LYS A 60 4.576 7.360 10.783 1.00 0.00 H new ATOM 0 HA LYS A 60 2.768 6.252 10.777 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.227 7.328 13.577 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.154 6.191 12.786 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.035 4.542 12.689 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.035 5.675 13.576 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.374 5.722 15.424 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.334 4.630 14.532 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.115 2.895 14.602 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.130 3.986 15.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.031 2.553 17.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.321 4.085 17.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.510 2.867 16.340 1.00 0.00 H new ATOM 952 N TYR A 61 1.263 9.075 11.601 1.00 0.00 N ATOM 953 CA TYR A 61 0.035 9.889 11.454 1.00 0.00 C ATOM 954 C TYR A 61 -0.115 10.615 10.111 1.00 0.00 C ATOM 955 O TYR A 61 -1.086 11.366 9.919 1.00 0.00 O ATOM 956 CB TYR A 61 -0.094 10.871 12.623 1.00 0.00 C ATOM 957 CG TYR A 61 0.159 10.219 13.962 1.00 0.00 C ATOM 958 CD1 TYR A 61 -0.757 9.355 14.535 1.00 0.00 C ATOM 959 CD2 TYR A 61 1.340 10.452 14.636 1.00 0.00 C ATOM 960 CE1 TYR A 61 -0.491 8.748 15.748 1.00 0.00 C ATOM 961 CE2 TYR A 61 1.613 9.856 15.841 1.00 0.00 C ATOM 962 CZ TYR A 61 0.698 9.003 16.394 1.00 0.00 C ATOM 963 OH TYR A 61 0.976 8.396 17.598 1.00 0.00 O ATOM 0 H TYR A 61 1.938 9.475 12.253 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.787 9.173 11.471 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.611 11.690 12.483 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.093 11.306 12.618 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.690 9.153 14.029 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.069 11.121 14.203 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.213 8.076 16.188 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.544 10.059 16.349 1.00 0.00 H new ATOM 0 HH TYR A 61 1.857 8.686 17.915 1.00 0.00 H new ATOM 973 N ASN A 62 0.811 10.400 9.193 1.00 0.00 N ATOM 974 CA ASN A 62 0.686 10.947 7.834 1.00 0.00 C ATOM 975 C ASN A 62 -0.279 10.047 7.044 1.00 0.00 C ATOM 976 O ASN A 62 -1.150 9.371 7.614 1.00 0.00 O ATOM 977 CB ASN A 62 2.034 10.960 7.055 1.00 0.00 C ATOM 978 CG ASN A 62 3.177 11.763 7.638 1.00 0.00 C ATOM 979 OD1 ASN A 62 3.256 12.971 7.450 1.00 0.00 O ATOM 980 ND2 ASN A 62 4.131 11.084 8.227 1.00 0.00 N ATOM 0 H ASN A 62 1.658 9.854 9.353 1.00 0.00 H new ATOM 0 HA ASN A 62 0.336 11.975 7.931 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.369 9.928 6.948 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.837 11.337 6.051 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.974 11.561 8.546 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.030 10.079 8.366 1.00 0.00 H new ATOM 987 N SER A 63 -0.153 10.062 5.744 1.00 0.00 N ATOM 988 CA SER A 63 -0.897 9.185 4.886 1.00 0.00 C ATOM 989 C SER A 63 -0.006 8.845 3.706 1.00 0.00 C ATOM 990 O SER A 63 0.538 9.742 3.053 1.00 0.00 O ATOM 991 CB SER A 63 -2.228 9.818 4.446 1.00 0.00 C ATOM 992 OG SER A 63 -3.013 10.188 5.583 1.00 0.00 O ATOM 0 H SER A 63 0.477 10.692 5.247 1.00 0.00 H new ATOM 0 HA SER A 63 -1.171 8.274 5.418 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.033 10.697 3.831 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.784 9.114 3.828 1.00 0.00 H new ATOM 0 HG SER A 63 -3.855 10.590 5.283 1.00 0.00 H new ATOM 998 N PHE A 64 0.216 7.571 3.493 1.00 0.00 N ATOM 999 CA PHE A 64 1.128 7.123 2.454 1.00 0.00 C ATOM 1000 C PHE A 64 0.412 6.163 1.547 1.00 0.00 C ATOM 1001 O PHE A 64 -0.120 5.160 2.013 1.00 0.00 O ATOM 1002 CB PHE A 64 2.313 6.385 3.062 1.00 0.00 C ATOM 1003 CG PHE A 64 2.860 6.995 4.309 1.00 0.00 C ATOM 1004 CD1 PHE A 64 3.843 7.948 4.270 1.00 0.00 C ATOM 1005 CD2 PHE A 64 2.369 6.598 5.530 1.00 0.00 C ATOM 1006 CE1 PHE A 64 4.322 8.491 5.434 1.00 0.00 C ATOM 1007 CE2 PHE A 64 2.829 7.119 6.685 1.00 0.00 C ATOM 1008 CZ PHE A 64 3.817 8.074 6.650 1.00 0.00 C ATOM 0 H PHE A 64 -0.222 6.819 4.025 1.00 0.00 H new ATOM 0 HA PHE A 64 1.478 7.998 1.906 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.012 5.360 3.278 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.110 6.334 2.320 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.242 8.272 3.320 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.593 5.848 5.565 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.094 9.245 5.400 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.424 6.789 7.630 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.196 8.496 7.569 1.00 0.00 H new ATOM 1018 N TRP A 65 0.394 6.465 0.291 1.00 0.00 N ATOM 1019 CA TRP A 65 -0.250 5.651 -0.705 1.00 0.00 C ATOM 1020 C TRP A 65 0.446 4.315 -0.872 1.00 0.00 C ATOM 1021 O TRP A 65 1.690 4.244 -0.901 1.00 0.00 O ATOM 1022 CB TRP A 65 -0.231 6.351 -2.062 1.00 0.00 C ATOM 1023 CG TRP A 65 -0.934 7.667 -2.115 1.00 0.00 C ATOM 1024 CD1 TRP A 65 -0.371 8.883 -2.375 1.00 0.00 C ATOM 1025 CD2 TRP A 65 -2.328 7.902 -1.910 1.00 0.00 C ATOM 1026 NE1 TRP A 65 -1.333 9.856 -2.365 1.00 0.00 N ATOM 1027 CE2 TRP A 65 -2.542 9.281 -2.078 1.00 0.00 C ATOM 1028 CE3 TRP A 65 -3.420 7.079 -1.607 1.00 0.00 C ATOM 1029 CZ2 TRP A 65 -3.793 9.852 -1.957 1.00 0.00 C ATOM 1030 CZ3 TRP A 65 -4.664 7.655 -1.484 1.00 0.00 C ATOM 1031 CH2 TRP A 65 -4.838 9.026 -1.660 1.00 0.00 C ATOM 0 H TRP A 65 0.835 7.303 -0.088 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.273 5.492 -0.364 1.00 0.00 H new ATOM 0 HB2 TRP A 65 0.807 6.501 -2.360 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -0.682 5.688 -2.800 1.00 0.00 H new ATOM 0 HD1 TRP A 65 0.679 9.052 -2.561 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -1.175 10.848 -2.542 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.289 6.015 -1.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -3.939 10.913 -2.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -5.517 7.036 -1.248 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -5.827 9.447 -1.559 1.00 0.00 H new ATOM 1042 N ILE A 66 -0.338 3.268 -0.953 1.00 0.00 N ATOM 1043 CA ILE A 66 0.184 1.979 -1.333 1.00 0.00 C ATOM 1044 C ILE A 66 -0.547 1.564 -2.605 1.00 0.00 C ATOM 1045 O ILE A 66 -1.521 2.224 -2.977 1.00 0.00 O ATOM 1046 CB ILE A 66 0.133 0.851 -0.221 1.00 0.00 C ATOM 1047 CG1 ILE A 66 -1.300 0.505 0.263 1.00 0.00 C ATOM 1048 CG2 ILE A 66 1.015 1.236 0.976 1.00 0.00 C ATOM 1049 CD1 ILE A 66 -1.874 1.433 1.318 1.00 0.00 C ATOM 0 H ILE A 66 -1.340 3.283 -0.761 1.00 0.00 H new ATOM 0 HA ILE A 66 1.256 2.089 -1.494 1.00 0.00 H new ATOM 0 HB ILE A 66 0.520 -0.051 -0.696 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.967 0.507 -0.599 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.296 -0.510 0.660 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.968 0.450 1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.046 1.359 0.644 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.658 2.172 1.405 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.878 1.103 1.586 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.238 1.415 2.203 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.919 2.448 0.924 1.00 0.00 H new ATOM 1061 N GLY A 67 -0.133 0.493 -3.263 1.00 0.00 N ATOM 1062 CA GLY A 67 -0.710 0.133 -4.570 1.00 0.00 C ATOM 1063 C GLY A 67 -2.103 -0.482 -4.505 1.00 0.00 C ATOM 1064 O GLY A 67 -2.438 -1.344 -5.308 1.00 0.00 O ATOM 0 H GLY A 67 0.591 -0.142 -2.928 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.751 1.027 -5.192 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.040 -0.570 -5.066 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.904 -0.014 -3.582 1.00 0.00 N ATOM 1069 CA LEU A 68 -4.226 -0.526 -3.354 1.00 0.00 C ATOM 1070 C LEU A 68 -5.272 0.223 -4.103 1.00 0.00 C ATOM 1071 O LEU A 68 -5.499 1.416 -3.859 1.00 0.00 O ATOM 1072 CB LEU A 68 -4.564 -0.552 -1.872 1.00 0.00 C ATOM 1073 CG LEU A 68 -4.086 -1.763 -1.110 1.00 0.00 C ATOM 1074 CD1 LEU A 68 -4.407 -1.626 0.367 1.00 0.00 C ATOM 1075 CD2 LEU A 68 -4.734 -3.012 -1.676 1.00 0.00 C ATOM 0 H LEU A 68 -2.647 0.750 -2.956 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.221 -1.548 -3.733 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.140 0.337 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.646 -0.483 -1.764 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.004 -1.842 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.054 -2.509 0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.913 -0.740 0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.485 -1.530 0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.386 -3.885 -1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.817 -2.933 -1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.465 -3.117 -2.727 1.00 0.00 H new ATOM 1087 N ARG A 69 -5.917 -0.486 -4.982 1.00 0.00 N ATOM 1088 CA ARG A 69 -7.002 0.025 -5.762 1.00 0.00 C ATOM 1089 C ARG A 69 -8.171 -0.932 -5.665 1.00 0.00 C ATOM 1090 O ARG A 69 -8.000 -2.157 -5.735 1.00 0.00 O ATOM 1091 CB ARG A 69 -6.585 0.230 -7.224 1.00 0.00 C ATOM 1092 CG ARG A 69 -5.938 -0.995 -7.845 1.00 0.00 C ATOM 1093 CD ARG A 69 -5.615 -0.818 -9.310 1.00 0.00 C ATOM 1094 NE ARG A 69 -4.956 -2.021 -9.840 1.00 0.00 N ATOM 1095 CZ ARG A 69 -4.936 -2.404 -11.126 1.00 0.00 C ATOM 1096 NH1 ARG A 69 -5.609 -1.724 -12.047 1.00 0.00 N ATOM 1097 NH2 ARG A 69 -4.251 -3.490 -11.474 1.00 0.00 N ATOM 0 H ARG A 69 -5.696 -1.462 -5.180 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.296 0.999 -5.371 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.463 0.504 -7.809 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.890 1.067 -7.282 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.022 -1.228 -7.303 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.604 -1.849 -7.727 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.530 -0.621 -9.869 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.967 0.048 -9.444 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.471 -2.618 -9.170 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.149 -0.901 -11.780 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.586 -2.025 -13.021 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.747 -4.024 -10.766 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.230 -3.789 -12.449 1.00 0.00 H new ATOM 1111 N TYR A 70 -9.322 -0.385 -5.453 1.00 0.00 N ATOM 1112 CA TYR A 70 -10.544 -1.141 -5.358 1.00 0.00 C ATOM 1113 C TYR A 70 -10.965 -1.533 -6.758 1.00 0.00 C ATOM 1114 O TYR A 70 -11.232 -0.668 -7.594 1.00 0.00 O ATOM 1115 CB TYR A 70 -11.578 -0.252 -4.690 1.00 0.00 C ATOM 1116 CG TYR A 70 -12.969 -0.803 -4.552 1.00 0.00 C ATOM 1117 CD1 TYR A 70 -13.241 -1.934 -3.806 1.00 0.00 C ATOM 1118 CD2 TYR A 70 -14.021 -0.128 -5.114 1.00 0.00 C ATOM 1119 CE1 TYR A 70 -14.540 -2.362 -3.630 1.00 0.00 C ATOM 1120 CE2 TYR A 70 -15.309 -0.547 -4.960 1.00 0.00 C ATOM 1121 CZ TYR A 70 -15.571 -1.663 -4.213 1.00 0.00 C ATOM 1122 OH TYR A 70 -16.880 -2.054 -3.997 1.00 0.00 O ATOM 0 H TYR A 70 -9.451 0.620 -5.337 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.426 -2.051 -4.769 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.214 0.000 -3.694 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.638 0.679 -5.253 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -12.429 -2.487 -3.357 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -13.824 0.761 -5.695 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -14.747 -3.241 -3.038 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -16.117 -0.002 -5.425 1.00 0.00 H new ATOM 0 HH TYR A 70 -17.426 -1.814 -4.775 1.00 0.00 H new ATOM 1132 N THR A 71 -10.991 -2.801 -7.036 1.00 0.00 N ATOM 1133 CA THR A 71 -11.267 -3.225 -8.360 1.00 0.00 C ATOM 1134 C THR A 71 -12.701 -3.681 -8.556 1.00 0.00 C ATOM 1135 O THR A 71 -13.262 -4.429 -7.743 1.00 0.00 O ATOM 1136 CB THR A 71 -10.235 -4.263 -8.857 1.00 0.00 C ATOM 1137 OG1 THR A 71 -10.080 -5.341 -7.909 1.00 0.00 O ATOM 1138 CG2 THR A 71 -8.887 -3.590 -9.076 1.00 0.00 C ATOM 0 H THR A 71 -10.825 -3.550 -6.364 1.00 0.00 H new ATOM 0 HA THR A 71 -11.159 -2.344 -8.993 1.00 0.00 H new ATOM 0 HB THR A 71 -10.601 -4.676 -9.797 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.962 -5.625 -7.589 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.165 -4.327 -9.426 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.991 -2.801 -9.821 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.539 -3.159 -8.137 1.00 0.00 H new ATOM 1146 N LEU A 72 -13.328 -3.125 -9.561 1.00 0.00 N ATOM 1147 CA LEU A 72 -14.654 -3.509 -9.945 1.00 0.00 C ATOM 1148 C LEU A 72 -14.653 -3.987 -11.386 1.00 0.00 C ATOM 1149 O LEU A 72 -13.883 -3.470 -12.198 1.00 0.00 O ATOM 1150 CB LEU A 72 -15.637 -2.346 -9.749 1.00 0.00 C ATOM 1151 CG LEU A 72 -15.797 -1.866 -8.307 1.00 0.00 C ATOM 1152 CD1 LEU A 72 -16.805 -0.745 -8.204 1.00 0.00 C ATOM 1153 CD2 LEU A 72 -16.205 -3.009 -7.417 1.00 0.00 C ATOM 0 H LEU A 72 -12.925 -2.387 -10.138 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.984 -4.329 -9.307 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.308 -1.506 -10.360 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.614 -2.650 -10.125 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.832 -1.482 -7.978 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -16.893 -0.429 -7.165 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -16.476 0.097 -8.813 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -17.774 -1.093 -8.560 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -16.315 -2.652 -6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -17.154 -3.418 -7.762 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -15.441 -3.786 -7.450 1.00 0.00 H new ATOM 1165 N PRO A 73 -15.491 -4.969 -11.742 1.00 0.00 N ATOM 1166 CA PRO A 73 -16.364 -5.681 -10.815 1.00 0.00 C ATOM 1167 C PRO A 73 -15.680 -6.906 -10.172 1.00 0.00 C ATOM 1168 O PRO A 73 -15.177 -7.787 -10.881 1.00 0.00 O ATOM 1169 CB PRO A 73 -17.536 -6.118 -11.700 1.00 0.00 C ATOM 1170 CG PRO A 73 -17.074 -5.943 -13.127 1.00 0.00 C ATOM 1171 CD PRO A 73 -15.650 -5.469 -13.097 1.00 0.00 C ATOM 0 HA PRO A 73 -16.657 -5.055 -9.972 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.807 -7.155 -11.503 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.421 -5.514 -11.500 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -17.151 -6.884 -13.671 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -17.705 -5.222 -13.646 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -14.952 -6.279 -13.311 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -15.470 -4.689 -13.837 1.00 0.00 H new ATOM 1179 N ASP A 74 -15.699 -6.954 -8.853 1.00 0.00 N ATOM 1180 CA ASP A 74 -15.139 -8.049 -8.034 1.00 0.00 C ATOM 1181 C ASP A 74 -15.243 -7.691 -6.582 1.00 0.00 C ATOM 1182 O ASP A 74 -15.467 -8.555 -5.744 1.00 0.00 O ATOM 1183 CB ASP A 74 -13.678 -8.484 -8.389 1.00 0.00 C ATOM 1184 CG ASP A 74 -12.635 -7.394 -8.351 1.00 0.00 C ATOM 1185 OD1 ASP A 74 -12.017 -7.173 -7.297 1.00 0.00 O ATOM 1186 OD2 ASP A 74 -12.361 -6.785 -9.408 1.00 0.00 O ATOM 0 H ASP A 74 -16.116 -6.213 -8.289 1.00 0.00 H new ATOM 0 HA ASP A 74 -15.744 -8.925 -8.268 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -13.377 -9.272 -7.698 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -13.683 -8.920 -9.388 1.00 0.00 H new ATOM 1191 N MET A 75 -15.147 -6.382 -6.302 1.00 0.00 N ATOM 1192 CA MET A 75 -15.266 -5.824 -4.964 1.00 0.00 C ATOM 1193 C MET A 75 -14.194 -6.374 -4.039 1.00 0.00 C ATOM 1194 O MET A 75 -14.427 -6.716 -2.873 1.00 0.00 O ATOM 1195 CB MET A 75 -16.680 -5.980 -4.400 1.00 0.00 C ATOM 1196 CG MET A 75 -17.765 -5.239 -5.199 1.00 0.00 C ATOM 1197 SD MET A 75 -18.124 -5.950 -6.837 1.00 0.00 S ATOM 1198 CE MET A 75 -19.508 -4.924 -7.338 1.00 0.00 C ATOM 0 H MET A 75 -14.981 -5.676 -7.019 1.00 0.00 H new ATOM 0 HA MET A 75 -15.093 -4.750 -5.037 1.00 0.00 H new ATOM 0 HB2 MET A 75 -16.930 -7.040 -4.367 1.00 0.00 H new ATOM 0 HB3 MET A 75 -16.691 -5.617 -3.372 1.00 0.00 H new ATOM 0 HG2 MET A 75 -18.684 -5.228 -4.613 1.00 0.00 H new ATOM 0 HG3 MET A 75 -17.457 -4.201 -5.328 1.00 0.00 H new ATOM 0 HE1 MET A 75 -19.623 -4.972 -8.421 1.00 0.00 H new ATOM 0 HE2 MET A 75 -20.419 -5.283 -6.860 1.00 0.00 H new ATOM 0 HE3 MET A 75 -19.324 -3.892 -7.038 1.00 0.00 H new ATOM 1208 N ASN A 76 -13.035 -6.473 -4.597 1.00 0.00 N ATOM 1209 CA ASN A 76 -11.842 -6.841 -3.916 1.00 0.00 C ATOM 1210 C ASN A 76 -10.784 -5.853 -4.310 1.00 0.00 C ATOM 1211 O ASN A 76 -11.004 -5.022 -5.208 1.00 0.00 O ATOM 1212 CB ASN A 76 -11.414 -8.290 -4.231 1.00 0.00 C ATOM 1213 CG ASN A 76 -12.034 -9.333 -3.302 1.00 0.00 C ATOM 1214 OD1 ASN A 76 -13.141 -9.819 -3.526 1.00 0.00 O ATOM 1215 ND2 ASN A 76 -11.300 -9.745 -2.287 1.00 0.00 N ATOM 0 H ASN A 76 -12.888 -6.290 -5.590 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.006 -6.816 -2.839 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.689 -8.524 -5.259 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.328 -8.360 -4.167 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.648 -10.480 -1.671 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -10.384 -9.329 -2.118 1.00 0.00 H new ATOM 1222 N TRP A 77 -9.677 -5.879 -3.646 1.00 0.00 N ATOM 1223 CA TRP A 77 -8.642 -4.936 -3.927 1.00 0.00 C ATOM 1224 C TRP A 77 -7.473 -5.616 -4.558 1.00 0.00 C ATOM 1225 O TRP A 77 -6.908 -6.581 -4.004 1.00 0.00 O ATOM 1226 CB TRP A 77 -8.197 -4.210 -2.666 1.00 0.00 C ATOM 1227 CG TRP A 77 -9.234 -3.318 -2.058 1.00 0.00 C ATOM 1228 CD1 TRP A 77 -10.447 -3.681 -1.581 1.00 0.00 C ATOM 1229 CD2 TRP A 77 -9.121 -1.917 -1.826 1.00 0.00 C ATOM 1230 NE1 TRP A 77 -11.105 -2.593 -1.104 1.00 0.00 N ATOM 1231 CE2 TRP A 77 -10.315 -1.497 -1.229 1.00 0.00 C ATOM 1232 CE3 TRP A 77 -8.130 -0.984 -2.071 1.00 0.00 C ATOM 1233 CZ2 TRP A 77 -10.549 -0.174 -0.871 1.00 0.00 C ATOM 1234 CZ3 TRP A 77 -8.353 0.331 -1.716 1.00 0.00 C ATOM 1235 CH2 TRP A 77 -9.554 0.726 -1.121 1.00 0.00 C ATOM 0 H TRP A 77 -9.464 -6.544 -2.903 1.00 0.00 H new ATOM 0 HA TRP A 77 -9.047 -4.200 -4.622 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -7.894 -4.950 -1.925 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.315 -3.613 -2.899 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -10.835 -4.689 -1.580 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -12.047 -2.599 -0.713 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.199 -1.279 -2.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -11.480 0.129 -0.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -7.585 1.068 -1.901 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -9.698 1.763 -0.854 1.00 0.00 H new ATOM 1246 N LYS A 78 -7.117 -5.153 -5.699 1.00 0.00 N ATOM 1247 CA LYS A 78 -5.963 -5.647 -6.355 1.00 0.00 C ATOM 1248 C LYS A 78 -4.907 -4.624 -6.274 1.00 0.00 C ATOM 1249 O LYS A 78 -5.170 -3.453 -5.960 1.00 0.00 O ATOM 1250 CB LYS A 78 -6.206 -5.972 -7.817 1.00 0.00 C ATOM 1251 CG LYS A 78 -7.166 -7.093 -8.061 1.00 0.00 C ATOM 1252 CD LYS A 78 -7.244 -7.390 -9.549 1.00 0.00 C ATOM 1253 CE LYS A 78 -8.360 -8.355 -9.884 1.00 0.00 C ATOM 1254 NZ LYS A 78 -9.698 -7.756 -9.680 1.00 0.00 N ATOM 0 H LYS A 78 -7.616 -4.421 -6.205 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.675 -6.573 -5.858 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.580 -5.078 -8.316 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.252 -6.222 -8.282 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.845 -7.983 -7.520 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.153 -6.828 -7.682 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.395 -6.459 -10.096 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.294 -7.806 -9.885 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.262 -8.675 -10.921 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.265 -9.247 -9.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.288 -8.406 -9.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.601 -6.854 -9.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.147 -7.586 -10.603 1.00 0.00 H new ATOM 1268 N TRP A 79 -3.736 -5.032 -6.540 1.00 0.00 N ATOM 1269 CA TRP A 79 -2.662 -4.139 -6.561 1.00 0.00 C ATOM 1270 C TRP A 79 -2.393 -3.743 -7.990 1.00 0.00 C ATOM 1271 O TRP A 79 -2.948 -4.341 -8.933 1.00 0.00 O ATOM 1272 CB TRP A 79 -1.437 -4.753 -5.939 1.00 0.00 C ATOM 1273 CG TRP A 79 -1.624 -5.227 -4.530 1.00 0.00 C ATOM 1274 CD1 TRP A 79 -2.009 -6.456 -4.155 1.00 0.00 C ATOM 1275 CD2 TRP A 79 -1.450 -4.489 -3.316 1.00 0.00 C ATOM 1276 NE1 TRP A 79 -2.059 -6.553 -2.805 1.00 0.00 N ATOM 1277 CE2 TRP A 79 -1.739 -5.364 -2.263 1.00 0.00 C ATOM 1278 CE3 TRP A 79 -1.078 -3.190 -3.013 1.00 0.00 C ATOM 1279 CZ2 TRP A 79 -1.673 -4.985 -0.943 1.00 0.00 C ATOM 1280 CZ3 TRP A 79 -1.015 -2.814 -1.693 1.00 0.00 C ATOM 1281 CH2 TRP A 79 -1.313 -3.709 -0.679 1.00 0.00 C ATOM 0 H TRP A 79 -3.495 -6.000 -6.750 1.00 0.00 H new ATOM 0 HA TRP A 79 -2.914 -3.255 -5.975 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -1.117 -5.595 -6.552 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -0.630 -4.021 -5.958 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -2.247 -7.259 -4.837 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -2.301 -7.395 -2.282 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -0.842 -2.487 -3.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -1.900 -5.680 -0.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -0.728 -1.803 -1.442 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -1.256 -3.379 0.348 1.00 0.00 H new ATOM 1292 N ILE A 80 -1.565 -2.764 -8.164 1.00 0.00 N ATOM 1293 CA ILE A 80 -1.227 -2.255 -9.483 1.00 0.00 C ATOM 1294 C ILE A 80 -0.433 -3.278 -10.307 1.00 0.00 C ATOM 1295 O ILE A 80 -0.544 -3.321 -11.520 1.00 0.00 O ATOM 1296 CB ILE A 80 -0.414 -0.950 -9.386 1.00 0.00 C ATOM 1297 CG1 ILE A 80 0.898 -1.197 -8.623 1.00 0.00 C ATOM 1298 CG2 ILE A 80 -1.246 0.123 -8.691 1.00 0.00 C ATOM 1299 CD1 ILE A 80 1.857 -0.046 -8.661 1.00 0.00 C ATOM 0 H ILE A 80 -1.093 -2.282 -7.399 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.173 -2.058 -9.988 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.166 -0.606 -10.390 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.663 -1.425 -7.583 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.388 -2.077 -9.040 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.668 1.045 -8.624 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.156 0.306 -9.263 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.510 -0.214 -7.688 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.755 -0.302 -8.100 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.125 0.170 -9.695 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.389 0.832 -8.216 1.00 0.00 H new ATOM 1311 N ASN A 81 0.320 -4.128 -9.633 1.00 0.00 N ATOM 1312 CA ASN A 81 1.187 -5.081 -10.313 1.00 0.00 C ATOM 1313 C ASN A 81 0.430 -6.366 -10.686 1.00 0.00 C ATOM 1314 O ASN A 81 0.954 -7.238 -11.384 1.00 0.00 O ATOM 1315 CB ASN A 81 2.399 -5.437 -9.458 1.00 0.00 C ATOM 1316 CG ASN A 81 2.031 -6.243 -8.243 1.00 0.00 C ATOM 1317 OD1 ASN A 81 0.942 -6.082 -7.680 1.00 0.00 O ATOM 1318 ND2 ASN A 81 2.897 -7.118 -7.841 1.00 0.00 N ATOM 0 H ASN A 81 0.351 -4.180 -8.615 1.00 0.00 H new ATOM 0 HA ASN A 81 1.529 -4.597 -11.228 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.112 -6.000 -10.061 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.900 -4.521 -9.144 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.691 -7.705 -7.033 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.785 -7.220 -8.333 1.00 0.00 H new ATOM 1325 N GLY A 82 -0.790 -6.488 -10.188 1.00 0.00 N ATOM 1326 CA GLY A 82 -1.616 -7.635 -10.505 1.00 0.00 C ATOM 1327 C GLY A 82 -1.702 -8.598 -9.354 1.00 0.00 C ATOM 1328 O GLY A 82 -2.322 -9.658 -9.457 1.00 0.00 O ATOM 0 H GLY A 82 -1.226 -5.808 -9.565 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.618 -7.298 -10.773 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.208 -8.147 -11.377 1.00 0.00 H new ATOM 1332 N SER A 83 -1.077 -8.233 -8.262 1.00 0.00 N ATOM 1333 CA SER A 83 -1.189 -8.966 -7.039 1.00 0.00 C ATOM 1334 C SER A 83 -2.558 -8.718 -6.392 1.00 0.00 C ATOM 1335 O SER A 83 -3.320 -7.830 -6.835 1.00 0.00 O ATOM 1336 CB SER A 83 -0.073 -8.547 -6.100 1.00 0.00 C ATOM 1337 OG SER A 83 1.194 -9.041 -6.537 1.00 0.00 O ATOM 0 H SER A 83 -0.474 -7.413 -8.203 1.00 0.00 H new ATOM 0 HA SER A 83 -1.101 -10.032 -7.247 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.038 -7.459 -6.037 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.282 -8.918 -5.097 1.00 0.00 H new ATOM 0 HG SER A 83 1.287 -9.980 -6.273 1.00 0.00 H new ATOM 1343 N THR A 84 -2.853 -9.445 -5.336 1.00 0.00 N ATOM 1344 CA THR A 84 -4.133 -9.337 -4.695 1.00 0.00 C ATOM 1345 C THR A 84 -3.964 -9.110 -3.170 1.00 0.00 C ATOM 1346 O THR A 84 -3.215 -9.837 -2.504 1.00 0.00 O ATOM 1347 CB THR A 84 -4.926 -10.606 -4.961 1.00 0.00 C ATOM 1348 OG1 THR A 84 -4.768 -10.957 -6.347 1.00 0.00 O ATOM 1349 CG2 THR A 84 -6.385 -10.374 -4.701 1.00 0.00 C ATOM 0 H THR A 84 -2.217 -10.117 -4.907 1.00 0.00 H new ATOM 0 HA THR A 84 -4.670 -8.480 -5.101 1.00 0.00 H new ATOM 0 HB THR A 84 -4.563 -11.399 -4.307 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.494 -11.558 -6.617 1.00 0.00 H new ATOM 0 HG21 THR A 84 -6.940 -11.292 -4.896 1.00 0.00 H new ATOM 0 HG22 THR A 84 -6.527 -10.078 -3.662 1.00 0.00 H new ATOM 0 HG23 THR A 84 -6.750 -9.583 -5.356 1.00 0.00 H new ATOM 1357 N LEU A 85 -4.635 -8.071 -2.671 1.00 0.00 N ATOM 1358 CA LEU A 85 -4.588 -7.601 -1.258 1.00 0.00 C ATOM 1359 C LEU A 85 -4.916 -8.654 -0.229 1.00 0.00 C ATOM 1360 O LEU A 85 -5.964 -9.283 -0.302 1.00 0.00 O ATOM 1361 CB LEU A 85 -5.599 -6.462 -1.058 1.00 0.00 C ATOM 1362 CG LEU A 85 -5.888 -6.057 0.409 1.00 0.00 C ATOM 1363 CD1 LEU A 85 -4.694 -5.395 1.076 1.00 0.00 C ATOM 1364 CD2 LEU A 85 -7.126 -5.193 0.505 1.00 0.00 C ATOM 0 H LEU A 85 -5.253 -7.503 -3.250 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.555 -7.291 -1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.236 -5.583 -1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.540 -6.752 -1.525 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.078 -6.979 0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.950 -5.131 2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.850 -6.085 1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.424 -4.493 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.303 -4.925 1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.984 -4.287 -0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.985 -5.744 0.121 1.00 0.00 H new ATOM 1376 N ASN A 86 -4.056 -8.773 0.777 1.00 0.00 N ATOM 1377 CA ASN A 86 -4.372 -9.596 1.924 1.00 0.00 C ATOM 1378 C ASN A 86 -5.345 -8.794 2.765 1.00 0.00 C ATOM 1379 O ASN A 86 -4.954 -7.949 3.573 1.00 0.00 O ATOM 1380 CB ASN A 86 -3.129 -9.939 2.756 1.00 0.00 C ATOM 1381 CG ASN A 86 -3.393 -11.001 3.830 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -4.498 -11.131 4.365 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -2.381 -11.769 4.149 1.00 0.00 N ATOM 0 H ASN A 86 -3.146 -8.313 0.816 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.792 -10.546 1.594 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.341 -10.293 2.091 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.759 -9.032 3.235 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.495 -12.496 4.855 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.479 -11.640 3.691 1.00 0.00 H new ATOM 1390 N SER A 87 -6.597 -9.013 2.518 1.00 0.00 N ATOM 1391 CA SER A 87 -7.661 -8.273 3.132 1.00 0.00 C ATOM 1392 C SER A 87 -7.812 -8.605 4.604 1.00 0.00 C ATOM 1393 O SER A 87 -8.383 -7.837 5.367 1.00 0.00 O ATOM 1394 CB SER A 87 -8.949 -8.539 2.347 1.00 0.00 C ATOM 1395 OG SER A 87 -9.107 -9.944 2.073 1.00 0.00 O ATOM 0 H SER A 87 -6.920 -9.729 1.867 1.00 0.00 H new ATOM 0 HA SER A 87 -7.428 -7.209 3.097 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.806 -8.177 2.915 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.929 -7.982 1.410 1.00 0.00 H new ATOM 0 HG SER A 87 -9.937 -10.088 1.573 1.00 0.00 H new ATOM 1401 N ASP A 88 -7.297 -9.735 4.993 1.00 0.00 N ATOM 1402 CA ASP A 88 -7.412 -10.204 6.354 1.00 0.00 C ATOM 1403 C ASP A 88 -6.424 -9.548 7.320 1.00 0.00 C ATOM 1404 O ASP A 88 -6.408 -9.890 8.497 1.00 0.00 O ATOM 1405 CB ASP A 88 -7.339 -11.734 6.433 1.00 0.00 C ATOM 1406 CG ASP A 88 -8.541 -12.419 5.799 1.00 0.00 C ATOM 1407 OD1 ASP A 88 -8.565 -12.574 4.563 1.00 0.00 O ATOM 1408 OD2 ASP A 88 -9.471 -12.842 6.535 1.00 0.00 O ATOM 0 H ASP A 88 -6.782 -10.364 4.377 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.402 -9.892 6.686 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -6.430 -12.075 5.938 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.265 -12.035 7.478 1.00 0.00 H new ATOM 1413 N VAL A 89 -5.586 -8.614 6.857 1.00 0.00 N ATOM 1414 CA VAL A 89 -4.650 -8.000 7.776 1.00 0.00 C ATOM 1415 C VAL A 89 -5.263 -6.875 8.627 1.00 0.00 C ATOM 1416 O VAL A 89 -5.302 -6.985 9.852 1.00 0.00 O ATOM 1417 CB VAL A 89 -3.283 -7.565 7.131 1.00 0.00 C ATOM 1418 CG1 VAL A 89 -2.535 -8.772 6.599 1.00 0.00 C ATOM 1419 CG2 VAL A 89 -3.448 -6.529 6.026 1.00 0.00 C ATOM 0 H VAL A 89 -5.542 -8.284 5.893 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.405 -8.813 8.460 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.705 -7.096 7.927 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.592 -8.450 6.157 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.335 -9.465 7.416 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.140 -9.270 5.841 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.470 -6.270 5.621 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.072 -6.940 5.232 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.921 -5.635 6.433 1.00 0.00 H new ATOM 1429 N LEU A 90 -5.801 -5.842 8.001 1.00 0.00 N ATOM 1430 CA LEU A 90 -6.257 -4.658 8.740 1.00 0.00 C ATOM 1431 C LEU A 90 -7.505 -4.085 8.119 1.00 0.00 C ATOM 1432 O LEU A 90 -8.044 -4.673 7.174 1.00 0.00 O ATOM 1433 CB LEU A 90 -5.157 -3.594 8.806 1.00 0.00 C ATOM 1434 CG LEU A 90 -3.885 -3.971 9.574 1.00 0.00 C ATOM 1435 CD1 LEU A 90 -2.853 -2.865 9.455 1.00 0.00 C ATOM 1436 CD2 LEU A 90 -4.184 -4.230 11.047 1.00 0.00 C ATOM 0 H LEU A 90 -5.936 -5.791 6.991 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.491 -4.971 9.757 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.875 -3.332 7.786 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.577 -2.697 9.261 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.491 -4.887 9.134 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.954 -3.145 10.005 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.603 -2.712 8.405 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.259 -1.942 9.870 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.262 -4.495 11.564 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.607 -3.331 11.496 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.898 -5.049 11.135 1.00 0.00 H new ATOM 1448 N LYS A 91 -7.987 -2.977 8.672 1.00 0.00 N ATOM 1449 CA LYS A 91 -9.203 -2.351 8.195 1.00 0.00 C ATOM 1450 C LYS A 91 -9.119 -1.801 6.800 1.00 0.00 C ATOM 1451 O LYS A 91 -8.441 -0.812 6.531 1.00 0.00 O ATOM 1452 CB LYS A 91 -9.773 -1.295 9.123 1.00 0.00 C ATOM 1453 CG LYS A 91 -8.856 -0.134 9.484 1.00 0.00 C ATOM 1454 CD LYS A 91 -9.655 0.935 10.202 1.00 0.00 C ATOM 1455 CE LYS A 91 -8.824 2.148 10.550 1.00 0.00 C ATOM 1456 NZ LYS A 91 -9.630 3.167 11.251 1.00 0.00 N ATOM 0 H LYS A 91 -7.547 -2.496 9.456 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.896 -3.192 8.179 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.673 -0.887 8.662 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.082 -1.785 10.047 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.042 -0.483 10.119 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.402 0.279 8.583 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.492 1.241 9.574 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.078 0.515 11.115 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.985 1.849 11.179 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.403 2.577 9.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.032 3.988 11.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.416 3.469 10.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.011 2.764 12.131 1.00 0.00 H new ATOM 1470 N ILE A 92 -9.800 -2.460 5.921 1.00 0.00 N ATOM 1471 CA ILE A 92 -9.938 -2.058 4.560 1.00 0.00 C ATOM 1472 C ILE A 92 -11.359 -2.453 4.192 1.00 0.00 C ATOM 1473 O ILE A 92 -11.906 -3.373 4.811 1.00 0.00 O ATOM 1474 CB ILE A 92 -8.905 -2.792 3.635 1.00 0.00 C ATOM 1475 CG1 ILE A 92 -7.500 -2.694 4.268 1.00 0.00 C ATOM 1476 CG2 ILE A 92 -8.911 -2.171 2.234 1.00 0.00 C ATOM 1477 CD1 ILE A 92 -6.355 -3.165 3.409 1.00 0.00 C ATOM 0 H ILE A 92 -10.294 -3.325 6.139 1.00 0.00 H new ATOM 0 HA ILE A 92 -9.748 -0.992 4.430 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.182 -3.842 3.539 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.319 -1.655 4.543 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.498 -3.273 5.191 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.190 -2.690 1.603 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.906 -2.264 1.799 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.641 -1.117 2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.419 -3.050 3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -6.499 -4.215 3.154 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.317 -2.572 2.496 1.00 0.00 H new ATOM 1489 N THR A 93 -11.983 -1.756 3.292 1.00 0.00 N ATOM 1490 CA THR A 93 -13.342 -2.075 2.921 1.00 0.00 C ATOM 1491 C THR A 93 -13.331 -3.198 1.873 1.00 0.00 C ATOM 1492 O THR A 93 -12.353 -3.375 1.179 1.00 0.00 O ATOM 1493 CB THR A 93 -14.023 -0.828 2.327 1.00 0.00 C ATOM 1494 OG1 THR A 93 -13.659 0.317 3.106 1.00 0.00 O ATOM 1495 CG2 THR A 93 -15.540 -0.975 2.365 1.00 0.00 C ATOM 0 H THR A 93 -11.579 -0.961 2.797 1.00 0.00 H new ATOM 0 HA THR A 93 -13.892 -2.401 3.804 1.00 0.00 H new ATOM 0 HB THR A 93 -13.699 -0.713 1.293 1.00 0.00 H new ATOM 0 HG1 THR A 93 -14.087 1.116 2.733 1.00 0.00 H new ATOM 0 HG21 THR A 93 -16.003 -0.084 1.941 1.00 0.00 H new ATOM 0 HG22 THR A 93 -15.836 -1.849 1.784 1.00 0.00 H new ATOM 0 HG23 THR A 93 -15.868 -1.098 3.397 1.00 0.00 H new ATOM 1503 N GLY A 94 -14.392 -3.952 1.784 1.00 0.00 N ATOM 1504 CA GLY A 94 -14.483 -4.956 0.770 1.00 0.00 C ATOM 1505 C GLY A 94 -15.335 -4.429 -0.337 1.00 0.00 C ATOM 1506 O GLY A 94 -14.915 -4.340 -1.455 1.00 0.00 O ATOM 0 H GLY A 94 -15.202 -3.888 2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.491 -5.210 0.397 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.914 -5.870 1.178 1.00 0.00 H new ATOM 1510 N ASP A 95 -16.516 -4.011 0.025 1.00 0.00 N ATOM 1511 CA ASP A 95 -17.464 -3.451 -0.901 1.00 0.00 C ATOM 1512 C ASP A 95 -17.752 -2.035 -0.496 1.00 0.00 C ATOM 1513 O ASP A 95 -18.220 -1.776 0.615 1.00 0.00 O ATOM 1514 CB ASP A 95 -18.736 -4.285 -0.908 1.00 0.00 C ATOM 1515 CG ASP A 95 -19.845 -3.754 -1.792 1.00 0.00 C ATOM 1516 OD1 ASP A 95 -20.691 -2.970 -1.299 1.00 0.00 O ATOM 1517 OD2 ASP A 95 -19.941 -4.179 -2.957 1.00 0.00 O ATOM 0 H ASP A 95 -16.853 -4.050 0.987 1.00 0.00 H new ATOM 0 HA ASP A 95 -17.054 -3.458 -1.911 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -18.488 -5.296 -1.230 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -19.110 -4.359 0.113 1.00 0.00 H new ATOM 1522 N THR A 96 -17.464 -1.131 -1.366 1.00 0.00 N ATOM 1523 CA THR A 96 -17.612 0.286 -1.064 1.00 0.00 C ATOM 1524 C THR A 96 -18.281 1.035 -2.206 1.00 0.00 C ATOM 1525 O THR A 96 -19.013 2.011 -1.973 1.00 0.00 O ATOM 1526 CB THR A 96 -16.236 0.966 -0.699 1.00 0.00 C ATOM 1527 OG1 THR A 96 -16.404 2.361 -0.414 1.00 0.00 O ATOM 1528 CG2 THR A 96 -15.217 0.821 -1.817 1.00 0.00 C ATOM 0 H THR A 96 -17.120 -1.330 -2.305 1.00 0.00 H new ATOM 0 HA THR A 96 -18.256 0.346 -0.187 1.00 0.00 H new ATOM 0 HB THR A 96 -15.868 0.450 0.188 1.00 0.00 H new ATOM 0 HG1 THR A 96 -15.536 2.756 -0.190 1.00 0.00 H new ATOM 0 HG21 THR A 96 -14.284 1.303 -1.524 1.00 0.00 H new ATOM 0 HG22 THR A 96 -15.034 -0.236 -2.008 1.00 0.00 H new ATOM 0 HG23 THR A 96 -15.600 1.292 -2.722 1.00 0.00 H new ATOM 1536 N GLU A 97 -18.068 0.542 -3.422 1.00 0.00 N ATOM 1537 CA GLU A 97 -18.525 1.184 -4.638 1.00 0.00 C ATOM 1538 C GLU A 97 -18.004 2.617 -4.745 1.00 0.00 C ATOM 1539 O GLU A 97 -18.751 3.585 -4.646 1.00 0.00 O ATOM 1540 CB GLU A 97 -20.043 1.086 -4.796 1.00 0.00 C ATOM 1541 CG GLU A 97 -20.533 -0.352 -4.840 1.00 0.00 C ATOM 1542 CD GLU A 97 -19.877 -1.145 -5.949 1.00 0.00 C ATOM 1543 OE1 GLU A 97 -18.802 -1.722 -5.731 1.00 0.00 O ATOM 1544 OE2 GLU A 97 -20.442 -1.191 -7.061 1.00 0.00 O ATOM 0 H GLU A 97 -17.564 -0.329 -3.587 1.00 0.00 H new ATOM 0 HA GLU A 97 -18.099 0.639 -5.481 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -20.525 1.605 -3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -20.343 1.597 -5.711 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -20.330 -0.833 -3.883 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -21.614 -0.362 -4.979 1.00 0.00 H new ATOM 1551 N ASN A 98 -16.697 2.722 -4.859 1.00 0.00 N ATOM 1552 CA ASN A 98 -15.992 3.992 -4.989 1.00 0.00 C ATOM 1553 C ASN A 98 -14.719 3.757 -5.740 1.00 0.00 C ATOM 1554 O ASN A 98 -14.360 2.629 -5.982 1.00 0.00 O ATOM 1555 CB ASN A 98 -15.626 4.655 -3.630 1.00 0.00 C ATOM 1556 CG ASN A 98 -16.776 5.325 -2.898 1.00 0.00 C ATOM 1557 OD1 ASN A 98 -17.100 6.481 -3.172 1.00 0.00 O ATOM 1558 ND2 ASN A 98 -17.334 4.665 -1.917 1.00 0.00 N ATOM 0 H ASN A 98 -16.076 1.913 -4.865 1.00 0.00 H new ATOM 0 HA ASN A 98 -16.670 4.669 -5.508 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -15.198 3.894 -2.978 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -14.848 5.398 -3.806 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -18.060 5.107 -1.353 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -17.043 3.708 -1.716 1.00 0.00 H new ATOM 1565 N ASP A 99 -14.028 4.810 -6.062 1.00 0.00 N ATOM 1566 CA ASP A 99 -12.730 4.734 -6.747 1.00 0.00 C ATOM 1567 C ASP A 99 -11.632 4.945 -5.694 1.00 0.00 C ATOM 1568 O ASP A 99 -10.522 5.396 -5.969 1.00 0.00 O ATOM 1569 CB ASP A 99 -12.673 5.818 -7.844 1.00 0.00 C ATOM 1570 CG ASP A 99 -11.453 5.722 -8.745 1.00 0.00 C ATOM 1571 OD1 ASP A 99 -11.266 4.683 -9.396 1.00 0.00 O ATOM 1572 OD2 ASP A 99 -10.699 6.716 -8.877 1.00 0.00 O ATOM 0 H ASP A 99 -14.334 5.763 -5.864 1.00 0.00 H new ATOM 0 HA ASP A 99 -12.587 3.765 -7.226 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -13.571 5.747 -8.457 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -12.686 6.800 -7.371 1.00 0.00 H new ATOM 1577 N SER A 100 -11.975 4.594 -4.477 1.00 0.00 N ATOM 1578 CA SER A 100 -11.131 4.787 -3.334 1.00 0.00 C ATOM 1579 C SER A 100 -9.892 3.878 -3.399 1.00 0.00 C ATOM 1580 O SER A 100 -9.972 2.693 -3.746 1.00 0.00 O ATOM 1581 CB SER A 100 -11.948 4.520 -2.049 1.00 0.00 C ATOM 1582 OG SER A 100 -11.237 4.850 -0.859 1.00 0.00 O ATOM 0 H SER A 100 -12.870 4.157 -4.255 1.00 0.00 H new ATOM 0 HA SER A 100 -10.774 5.817 -3.325 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.872 5.097 -2.086 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.231 3.468 -2.017 1.00 0.00 H new ATOM 0 HG SER A 100 -10.553 5.522 -1.062 1.00 0.00 H new ATOM 1588 N CYS A 101 -8.776 4.463 -3.089 1.00 0.00 N ATOM 1589 CA CYS A 101 -7.511 3.793 -3.000 1.00 0.00 C ATOM 1590 C CYS A 101 -7.063 3.860 -1.546 1.00 0.00 C ATOM 1591 O CYS A 101 -7.600 4.678 -0.772 1.00 0.00 O ATOM 1592 CB CYS A 101 -6.525 4.474 -3.948 1.00 0.00 C ATOM 1593 SG CYS A 101 -6.786 6.229 -4.115 1.00 0.00 S ATOM 0 H CYS A 101 -8.717 5.460 -2.882 1.00 0.00 H new ATOM 0 HA CYS A 101 -7.574 2.746 -3.298 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -5.511 4.299 -3.590 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -6.600 4.009 -4.931 1.00 0.00 H new ATOM 1598 N ALA A 102 -6.139 3.026 -1.139 1.00 0.00 N ATOM 1599 CA ALA A 102 -5.783 2.998 0.266 1.00 0.00 C ATOM 1600 C ALA A 102 -4.424 3.636 0.576 1.00 0.00 C ATOM 1601 O ALA A 102 -3.510 3.685 -0.278 1.00 0.00 O ATOM 1602 CB ALA A 102 -5.912 1.592 0.847 1.00 0.00 C ATOM 0 H ALA A 102 -5.630 2.374 -1.736 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.511 3.633 0.771 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -5.637 1.608 1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.942 1.249 0.745 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.249 0.914 0.310 1.00 0.00 H new ATOM 1608 N ALA A 103 -4.301 4.101 1.813 1.00 0.00 N ATOM 1609 CA ALA A 103 -3.118 4.765 2.312 1.00 0.00 C ATOM 1610 C ALA A 103 -2.887 4.400 3.784 1.00 0.00 C ATOM 1611 O ALA A 103 -3.836 4.170 4.530 1.00 0.00 O ATOM 1612 CB ALA A 103 -3.263 6.285 2.176 1.00 0.00 C ATOM 0 H ALA A 103 -5.043 4.022 2.509 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.263 4.435 1.722 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.365 6.772 2.556 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.400 6.545 1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.127 6.621 2.749 1.00 0.00 H new ATOM 1618 N ILE A 104 -1.641 4.352 4.175 1.00 0.00 N ATOM 1619 CA ILE A 104 -1.229 4.101 5.558 1.00 0.00 C ATOM 1620 C ILE A 104 -1.424 5.363 6.351 1.00 0.00 C ATOM 1621 O ILE A 104 -0.916 6.419 5.977 1.00 0.00 O ATOM 1622 CB ILE A 104 0.277 3.666 5.603 1.00 0.00 C ATOM 1623 CG1 ILE A 104 0.458 2.236 5.074 1.00 0.00 C ATOM 1624 CG2 ILE A 104 0.890 3.801 7.017 1.00 0.00 C ATOM 1625 CD1 ILE A 104 0.035 1.173 6.051 1.00 0.00 C ATOM 0 H ILE A 104 -0.856 4.487 3.538 1.00 0.00 H new ATOM 0 HA ILE A 104 -1.831 3.298 5.983 1.00 0.00 H new ATOM 0 HB ILE A 104 0.817 4.351 4.949 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -0.117 2.122 4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.506 2.083 4.815 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.934 3.487 6.993 1.00 0.00 H new ATOM 0 HG22 ILE A 104 0.831 4.840 7.341 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.338 3.171 7.715 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.191 0.189 5.609 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.627 1.260 6.962 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.021 1.299 6.291 1.00 0.00 H new ATOM 1637 N SER A 105 -2.193 5.261 7.393 1.00 0.00 N ATOM 1638 CA SER A 105 -2.438 6.359 8.255 1.00 0.00 C ATOM 1639 C SER A 105 -2.527 5.840 9.667 1.00 0.00 C ATOM 1640 O SER A 105 -3.515 5.206 10.068 1.00 0.00 O ATOM 1641 CB SER A 105 -3.711 7.129 7.856 1.00 0.00 C ATOM 1642 OG SER A 105 -3.878 8.311 8.641 1.00 0.00 O ATOM 0 H SER A 105 -2.669 4.401 7.664 1.00 0.00 H new ATOM 0 HA SER A 105 -1.617 7.072 8.175 1.00 0.00 H new ATOM 0 HB2 SER A 105 -3.659 7.397 6.801 1.00 0.00 H new ATOM 0 HB3 SER A 105 -4.581 6.484 7.979 1.00 0.00 H new ATOM 0 HG SER A 105 -3.111 8.905 8.505 1.00 0.00 H new ATOM 1648 N GLY A 106 -1.452 5.996 10.359 1.00 0.00 N ATOM 1649 CA GLY A 106 -1.397 5.630 11.733 1.00 0.00 C ATOM 1650 C GLY A 106 -0.809 4.271 11.882 1.00 0.00 C ATOM 1651 O GLY A 106 0.300 4.020 11.414 1.00 0.00 O ATOM 0 H GLY A 106 -0.584 6.382 9.988 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -0.799 6.355 12.286 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -2.399 5.649 12.162 1.00 0.00 H new ATOM 1655 N ASP A 107 -1.535 3.393 12.514 1.00 0.00 N ATOM 1656 CA ASP A 107 -1.084 2.013 12.676 1.00 0.00 C ATOM 1657 C ASP A 107 -1.959 1.154 11.797 1.00 0.00 C ATOM 1658 O ASP A 107 -1.871 -0.081 11.812 1.00 0.00 O ATOM 1659 CB ASP A 107 -1.302 1.493 14.117 1.00 0.00 C ATOM 1660 CG ASP A 107 -1.157 2.508 15.213 1.00 0.00 C ATOM 1661 OD1 ASP A 107 -0.041 2.701 15.746 1.00 0.00 O ATOM 1662 OD2 ASP A 107 -2.192 3.100 15.591 1.00 0.00 O ATOM 0 H ASP A 107 -2.444 3.595 12.931 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.023 1.973 12.431 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.301 1.061 14.179 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.594 0.685 14.301 1.00 0.00 H new ATOM 1667 N LYS A 108 -2.834 1.807 11.051 1.00 0.00 N ATOM 1668 CA LYS A 108 -3.865 1.115 10.319 1.00 0.00 C ATOM 1669 C LYS A 108 -3.761 1.445 8.844 1.00 0.00 C ATOM 1670 O LYS A 108 -2.922 2.257 8.422 1.00 0.00 O ATOM 1671 CB LYS A 108 -5.264 1.584 10.784 1.00 0.00 C ATOM 1672 CG LYS A 108 -5.437 1.897 12.274 1.00 0.00 C ATOM 1673 CD LYS A 108 -5.104 0.736 13.191 1.00 0.00 C ATOM 1674 CE LYS A 108 -5.412 1.091 14.644 1.00 0.00 C ATOM 1675 NZ LYS A 108 -4.775 2.365 15.082 1.00 0.00 N ATOM 0 H LYS A 108 -2.845 2.821 10.940 1.00 0.00 H new ATOM 0 HA LYS A 108 -3.737 0.047 10.495 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.526 2.478 10.218 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.986 0.813 10.514 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.802 2.745 12.533 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.467 2.204 12.453 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -5.678 -0.143 12.897 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.050 0.477 13.090 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -6.492 1.169 14.772 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -5.072 0.281 15.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -4.992 2.535 16.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -3.745 2.299 14.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -5.143 3.152 14.510 1.00 0.00 H new ATOM 1689 N VAL A 109 -4.635 0.849 8.073 1.00 0.00 N ATOM 1690 CA VAL A 109 -4.754 1.153 6.678 1.00 0.00 C ATOM 1691 C VAL A 109 -6.009 1.974 6.567 1.00 0.00 C ATOM 1692 O VAL A 109 -6.974 1.710 7.272 1.00 0.00 O ATOM 1693 CB VAL A 109 -4.947 -0.110 5.801 1.00 0.00 C ATOM 1694 CG1 VAL A 109 -4.662 0.190 4.335 1.00 0.00 C ATOM 1695 CG2 VAL A 109 -4.131 -1.281 6.301 1.00 0.00 C ATOM 0 H VAL A 109 -5.286 0.136 8.402 1.00 0.00 H new ATOM 0 HA VAL A 109 -3.848 1.651 6.333 1.00 0.00 H new ATOM 0 HB VAL A 109 -5.994 -0.402 5.882 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -4.805 -0.715 3.744 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.343 0.965 3.983 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -3.633 0.534 4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.298 -2.143 5.655 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.073 -1.019 6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.433 -1.526 7.319 1.00 0.00 H new ATOM 1705 N THR A 110 -5.995 2.967 5.761 1.00 0.00 N ATOM 1706 CA THR A 110 -7.146 3.785 5.568 1.00 0.00 C ATOM 1707 C THR A 110 -7.372 3.930 4.083 1.00 0.00 C ATOM 1708 O THR A 110 -6.548 3.481 3.302 1.00 0.00 O ATOM 1709 CB THR A 110 -6.979 5.163 6.238 1.00 0.00 C ATOM 1710 OG1 THR A 110 -5.776 5.806 5.755 1.00 0.00 O ATOM 1711 CG2 THR A 110 -6.926 5.040 7.762 1.00 0.00 C ATOM 0 H THR A 110 -5.183 3.243 5.209 1.00 0.00 H new ATOM 0 HA THR A 110 -8.011 3.315 6.035 1.00 0.00 H new ATOM 0 HB THR A 110 -7.846 5.770 5.977 1.00 0.00 H new ATOM 0 HG1 THR A 110 -5.221 5.150 5.284 1.00 0.00 H new ATOM 0 HG21 THR A 110 -6.808 6.030 8.203 1.00 0.00 H new ATOM 0 HG22 THR A 110 -7.851 4.590 8.123 1.00 0.00 H new ATOM 0 HG23 THR A 110 -6.082 4.412 8.047 1.00 0.00 H new ATOM 1719 N PHE A 111 -8.442 4.546 3.691 1.00 0.00 N ATOM 1720 CA PHE A 111 -8.795 4.652 2.293 1.00 0.00 C ATOM 1721 C PHE A 111 -9.415 5.992 1.991 1.00 0.00 C ATOM 1722 O PHE A 111 -10.211 6.505 2.779 1.00 0.00 O ATOM 1723 CB PHE A 111 -9.709 3.470 1.881 1.00 0.00 C ATOM 1724 CG PHE A 111 -10.603 3.007 3.000 1.00 0.00 C ATOM 1725 CD1 PHE A 111 -11.762 3.688 3.319 1.00 0.00 C ATOM 1726 CD2 PHE A 111 -10.237 1.909 3.770 1.00 0.00 C ATOM 1727 CE1 PHE A 111 -12.547 3.279 4.379 1.00 0.00 C ATOM 1728 CE2 PHE A 111 -11.008 1.502 4.828 1.00 0.00 C ATOM 1729 CZ PHE A 111 -12.166 2.186 5.138 1.00 0.00 C ATOM 0 H PHE A 111 -9.103 4.994 4.325 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.887 4.588 1.693 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -10.323 3.770 1.032 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -9.090 2.637 1.548 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -12.056 4.547 2.735 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -9.333 1.369 3.531 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -13.457 3.811 4.615 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -10.710 0.648 5.418 1.00 0.00 H new ATOM 0 HZ PHE A 111 -12.774 1.869 5.972 1.00 0.00 H new ATOM 1739 N GLU A 112 -9.020 6.563 0.879 1.00 0.00 N ATOM 1740 CA GLU A 112 -9.495 7.854 0.440 1.00 0.00 C ATOM 1741 C GLU A 112 -9.412 7.980 -1.065 1.00 0.00 C ATOM 1742 O GLU A 112 -9.130 7.001 -1.770 1.00 0.00 O ATOM 1743 CB GLU A 112 -8.780 9.031 1.171 1.00 0.00 C ATOM 1744 CG GLU A 112 -7.271 8.909 1.327 1.00 0.00 C ATOM 1745 CD GLU A 112 -6.714 10.006 2.213 1.00 0.00 C ATOM 1746 OE1 GLU A 112 -6.720 9.846 3.448 1.00 0.00 O ATOM 1747 OE2 GLU A 112 -6.274 11.060 1.697 1.00 0.00 O ATOM 0 H GLU A 112 -8.347 6.136 0.242 1.00 0.00 H new ATOM 0 HA GLU A 112 -10.547 7.924 0.717 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -8.995 9.952 0.629 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -9.219 9.135 2.163 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -7.026 7.936 1.753 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.798 8.956 0.346 1.00 0.00 H new ATOM 1754 N SER A 113 -9.739 9.135 -1.542 1.00 0.00 N ATOM 1755 CA SER A 113 -9.708 9.467 -2.931 1.00 0.00 C ATOM 1756 C SER A 113 -8.258 9.657 -3.384 1.00 0.00 C ATOM 1757 O SER A 113 -7.519 10.398 -2.764 1.00 0.00 O ATOM 1758 CB SER A 113 -10.488 10.752 -3.073 1.00 0.00 C ATOM 1759 OG SER A 113 -11.736 10.628 -2.407 1.00 0.00 O ATOM 0 H SER A 113 -10.048 9.907 -0.951 1.00 0.00 H new ATOM 0 HA SER A 113 -10.141 8.680 -3.548 1.00 0.00 H new ATOM 0 HB2 SER A 113 -9.921 11.582 -2.652 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.648 10.978 -4.127 1.00 0.00 H new ATOM 0 HG SER A 113 -12.240 11.463 -2.499 1.00 0.00 H new ATOM 1765 N CYS A 114 -7.878 8.983 -4.466 1.00 0.00 N ATOM 1766 CA CYS A 114 -6.506 8.995 -5.050 1.00 0.00 C ATOM 1767 C CYS A 114 -5.950 10.394 -5.345 1.00 0.00 C ATOM 1768 O CYS A 114 -4.755 10.557 -5.594 1.00 0.00 O ATOM 1769 CB CYS A 114 -6.530 8.199 -6.351 1.00 0.00 C ATOM 1770 SG CYS A 114 -7.011 6.479 -6.107 1.00 0.00 S ATOM 0 H CYS A 114 -8.523 8.390 -4.989 1.00 0.00 H new ATOM 0 HA CYS A 114 -5.848 8.556 -4.300 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -7.223 8.670 -7.048 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -5.543 8.234 -6.811 1.00 0.00 H new ATOM 1775 N ASN A 115 -6.805 11.374 -5.301 1.00 0.00 N ATOM 1776 CA ASN A 115 -6.461 12.727 -5.641 1.00 0.00 C ATOM 1777 C ASN A 115 -5.998 13.557 -4.440 1.00 0.00 C ATOM 1778 O ASN A 115 -5.705 14.741 -4.601 1.00 0.00 O ATOM 1779 CB ASN A 115 -7.638 13.423 -6.332 1.00 0.00 C ATOM 1780 CG ASN A 115 -8.893 13.457 -5.481 1.00 0.00 C ATOM 1781 OD1 ASN A 115 -9.090 14.363 -4.673 1.00 0.00 O ATOM 1782 ND2 ASN A 115 -9.765 12.480 -5.662 1.00 0.00 N ATOM 0 H ASN A 115 -7.779 11.255 -5.023 1.00 0.00 H new ATOM 0 HA ASN A 115 -5.615 12.662 -6.325 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -7.351 14.443 -6.586 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -7.856 12.911 -7.269 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -10.631 12.463 -5.123 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -9.572 11.743 -6.340 1.00 0.00 H new ATOM 1789 N SER A 116 -5.959 12.992 -3.242 1.00 0.00 N ATOM 1790 CA SER A 116 -5.442 13.753 -2.131 1.00 0.00 C ATOM 1791 C SER A 116 -3.905 13.845 -2.164 1.00 0.00 C ATOM 1792 O SER A 116 -3.222 13.001 -2.774 1.00 0.00 O ATOM 1793 CB SER A 116 -5.976 13.212 -0.823 1.00 0.00 C ATOM 1794 OG SER A 116 -5.941 11.812 -0.810 1.00 0.00 O ATOM 0 H SER A 116 -6.268 12.045 -3.025 1.00 0.00 H new ATOM 0 HA SER A 116 -5.798 14.779 -2.222 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.384 13.602 0.005 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.000 13.556 -0.673 1.00 0.00 H new ATOM 0 HG SER A 116 -5.883 11.495 0.115 1.00 0.00 H new ATOM 1800 N ASP A 117 -3.380 14.876 -1.538 1.00 0.00 N ATOM 1801 CA ASP A 117 -1.952 15.148 -1.535 1.00 0.00 C ATOM 1802 C ASP A 117 -1.305 14.401 -0.377 1.00 0.00 C ATOM 1803 O ASP A 117 -1.241 14.901 0.747 1.00 0.00 O ATOM 1804 CB ASP A 117 -1.730 16.664 -1.407 1.00 0.00 C ATOM 1805 CG ASP A 117 -0.313 17.127 -1.610 1.00 0.00 C ATOM 1806 OD1 ASP A 117 0.109 17.277 -2.771 1.00 0.00 O ATOM 1807 OD2 ASP A 117 0.373 17.436 -0.625 1.00 0.00 O ATOM 0 H ASP A 117 -3.931 15.555 -1.013 1.00 0.00 H new ATOM 0 HA ASP A 117 -1.496 14.808 -2.465 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -2.367 17.170 -2.132 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -2.060 16.980 -0.417 1.00 0.00 H new ATOM 1812 N ASN A 118 -0.894 13.188 -0.635 1.00 0.00 N ATOM 1813 CA ASN A 118 -0.331 12.320 0.394 1.00 0.00 C ATOM 1814 C ASN A 118 1.001 11.805 -0.038 1.00 0.00 C ATOM 1815 O ASN A 118 1.368 11.931 -1.180 1.00 0.00 O ATOM 1816 CB ASN A 118 -1.256 11.135 0.708 1.00 0.00 C ATOM 1817 CG ASN A 118 -2.527 11.524 1.418 1.00 0.00 C ATOM 1818 OD1 ASN A 118 -2.553 12.486 2.179 1.00 0.00 O ATOM 1819 ND2 ASN A 118 -3.574 10.773 1.196 1.00 0.00 N ATOM 0 H ASN A 118 -0.935 12.763 -1.561 1.00 0.00 H new ATOM 0 HA ASN A 118 -0.222 12.918 1.299 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -1.512 10.630 -0.223 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -0.714 10.416 1.322 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -4.457 10.978 1.664 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -3.508 9.982 0.555 1.00 0.00 H new ATOM 1826 N ARG A 119 1.699 11.180 0.851 1.00 0.00 N ATOM 1827 CA ARG A 119 3.031 10.704 0.556 1.00 0.00 C ATOM 1828 C ARG A 119 2.879 9.292 0.006 1.00 0.00 C ATOM 1829 O ARG A 119 1.759 8.818 -0.095 1.00 0.00 O ATOM 1830 CB ARG A 119 3.935 10.699 1.816 1.00 0.00 C ATOM 1831 CG ARG A 119 4.019 11.990 2.666 1.00 0.00 C ATOM 1832 CD ARG A 119 2.726 12.308 3.398 1.00 0.00 C ATOM 1833 NE ARG A 119 2.888 13.334 4.437 1.00 0.00 N ATOM 1834 CZ ARG A 119 2.103 14.410 4.601 1.00 0.00 C ATOM 1835 NH1 ARG A 119 1.429 14.909 3.573 1.00 0.00 N ATOM 1836 NH2 ARG A 119 2.105 15.056 5.767 1.00 0.00 N ATOM 0 H ARG A 119 1.376 10.981 1.798 1.00 0.00 H new ATOM 0 HA ARG A 119 3.513 11.365 -0.165 1.00 0.00 H new ATOM 0 HB2 ARG A 119 3.593 9.894 2.467 1.00 0.00 H new ATOM 0 HB3 ARG A 119 4.946 10.444 1.498 1.00 0.00 H new ATOM 0 HG2 ARG A 119 4.825 11.887 3.393 1.00 0.00 H new ATOM 0 HG3 ARG A 119 4.278 12.828 2.019 1.00 0.00 H new ATOM 0 HD2 ARG A 119 1.981 12.644 2.677 1.00 0.00 H new ATOM 0 HD3 ARG A 119 2.340 11.396 3.854 1.00 0.00 H new ATOM 0 HE ARG A 119 3.663 13.219 5.090 1.00 0.00 H new ATOM 0 HH11 ARG A 119 1.506 14.475 2.653 1.00 0.00 H new ATOM 0 HH12 ARG A 119 0.834 15.727 3.702 1.00 0.00 H new ATOM 0 HH21 ARG A 119 2.701 14.732 6.529 1.00 0.00 H new ATOM 0 HH22 ARG A 119 1.510 15.874 5.898 1.00 0.00 H new ATOM 1850 N TRP A 120 3.951 8.598 -0.317 1.00 0.00 N ATOM 1851 CA TRP A 120 3.778 7.272 -0.904 1.00 0.00 C ATOM 1852 C TRP A 120 4.901 6.329 -0.523 1.00 0.00 C ATOM 1853 O TRP A 120 5.996 6.760 -0.145 1.00 0.00 O ATOM 1854 CB TRP A 120 3.621 7.343 -2.442 1.00 0.00 C ATOM 1855 CG TRP A 120 4.856 7.768 -3.192 1.00 0.00 C ATOM 1856 CD1 TRP A 120 5.780 6.945 -3.751 1.00 0.00 C ATOM 1857 CD2 TRP A 120 5.294 9.102 -3.472 1.00 0.00 C ATOM 1858 NE1 TRP A 120 6.766 7.674 -4.355 1.00 0.00 N ATOM 1859 CE2 TRP A 120 6.493 8.999 -4.203 1.00 0.00 C ATOM 1860 CE3 TRP A 120 4.794 10.367 -3.182 1.00 0.00 C ATOM 1861 CZ2 TRP A 120 7.196 10.111 -4.641 1.00 0.00 C ATOM 1862 CZ3 TRP A 120 5.496 11.468 -3.620 1.00 0.00 C ATOM 1863 CH2 TRP A 120 6.682 11.333 -4.344 1.00 0.00 C ATOM 0 H TRP A 120 4.915 8.906 -0.193 1.00 0.00 H new ATOM 0 HA TRP A 120 2.854 6.868 -0.489 1.00 0.00 H new ATOM 0 HB2 TRP A 120 3.313 6.363 -2.806 1.00 0.00 H new ATOM 0 HB3 TRP A 120 2.815 8.038 -2.678 1.00 0.00 H new ATOM 0 HD1 TRP A 120 5.741 5.866 -3.722 1.00 0.00 H new ATOM 0 HE1 TRP A 120 7.575 7.288 -4.841 1.00 0.00 H new ATOM 0 HE3 TRP A 120 3.876 10.483 -2.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 8.116 10.010 -5.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 5.121 12.456 -3.399 1.00 0.00 H new ATOM 0 HH2 TRP A 120 7.202 12.220 -4.675 1.00 0.00 H new ATOM 1874 N ILE A 121 4.631 5.053 -0.622 1.00 0.00 N ATOM 1875 CA ILE A 121 5.604 4.037 -0.317 1.00 0.00 C ATOM 1876 C ILE A 121 5.851 3.203 -1.554 1.00 0.00 C ATOM 1877 O ILE A 121 4.914 2.720 -2.193 1.00 0.00 O ATOM 1878 CB ILE A 121 5.116 3.106 0.819 1.00 0.00 C ATOM 1879 CG1 ILE A 121 4.822 3.915 2.071 1.00 0.00 C ATOM 1880 CG2 ILE A 121 6.179 2.049 1.135 1.00 0.00 C ATOM 1881 CD1 ILE A 121 3.911 3.205 3.041 1.00 0.00 C ATOM 0 H ILE A 121 3.726 4.688 -0.918 1.00 0.00 H new ATOM 0 HA ILE A 121 6.519 4.531 0.010 1.00 0.00 H new ATOM 0 HB ILE A 121 4.204 2.609 0.488 1.00 0.00 H new ATOM 0 HG12 ILE A 121 5.761 4.151 2.572 1.00 0.00 H new ATOM 0 HG13 ILE A 121 4.367 4.863 1.784 1.00 0.00 H new ATOM 0 HG21 ILE A 121 5.822 1.402 1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 121 6.374 1.451 0.245 1.00 0.00 H new ATOM 0 HG23 ILE A 121 7.099 2.541 1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 121 3.742 3.838 3.912 1.00 0.00 H new ATOM 0 HD12 ILE A 121 2.958 2.993 2.557 1.00 0.00 H new ATOM 0 HD13 ILE A 121 4.373 2.270 3.356 1.00 0.00 H new ATOM 1893 N CYS A 122 7.079 3.043 -1.882 1.00 0.00 N ATOM 1894 CA CYS A 122 7.464 2.241 -3.003 1.00 0.00 C ATOM 1895 C CYS A 122 8.066 0.959 -2.495 1.00 0.00 C ATOM 1896 O CYS A 122 8.657 0.946 -1.413 1.00 0.00 O ATOM 1897 CB CYS A 122 8.522 2.970 -3.825 1.00 0.00 C ATOM 1898 SG CYS A 122 8.006 4.559 -4.530 1.00 0.00 S ATOM 0 H CYS A 122 7.860 3.466 -1.380 1.00 0.00 H new ATOM 0 HA CYS A 122 6.588 2.043 -3.621 1.00 0.00 H new ATOM 0 HB2 CYS A 122 9.395 3.139 -3.194 1.00 0.00 H new ATOM 0 HB3 CYS A 122 8.838 2.317 -4.639 1.00 0.00 H new ATOM 1903 N GLN A 123 7.914 -0.104 -3.228 1.00 0.00 N ATOM 1904 CA GLN A 123 8.607 -1.302 -2.912 1.00 0.00 C ATOM 1905 C GLN A 123 9.322 -1.753 -4.157 1.00 0.00 C ATOM 1906 O GLN A 123 8.824 -1.593 -5.277 1.00 0.00 O ATOM 1907 CB GLN A 123 7.718 -2.433 -2.339 1.00 0.00 C ATOM 1908 CG GLN A 123 6.891 -3.209 -3.347 1.00 0.00 C ATOM 1909 CD GLN A 123 6.178 -4.396 -2.717 1.00 0.00 C ATOM 1910 OE1 GLN A 123 5.801 -4.375 -1.562 1.00 0.00 O ATOM 1911 NE2 GLN A 123 6.064 -5.465 -3.439 1.00 0.00 N ATOM 0 H GLN A 123 7.313 -0.159 -4.050 1.00 0.00 H new ATOM 0 HA GLN A 123 9.305 -1.081 -2.104 1.00 0.00 H new ATOM 0 HB2 GLN A 123 8.359 -3.136 -1.807 1.00 0.00 H new ATOM 0 HB3 GLN A 123 7.042 -1.998 -1.603 1.00 0.00 H new ATOM 0 HG2 GLN A 123 6.155 -2.544 -3.799 1.00 0.00 H new ATOM 0 HG3 GLN A 123 7.538 -3.561 -4.150 1.00 0.00 H new ATOM 0 HE21 GLN A 123 6.386 -5.464 -4.407 1.00 0.00 H new ATOM 0 HE22 GLN A 123 5.652 -6.308 -3.040 1.00 0.00 H new ATOM 1920 N LYS A 124 10.474 -2.248 -3.987 1.00 0.00 N ATOM 1921 CA LYS A 124 11.228 -2.712 -5.067 1.00 0.00 C ATOM 1922 C LYS A 124 11.245 -4.212 -4.934 1.00 0.00 C ATOM 1923 O LYS A 124 11.708 -4.772 -3.925 1.00 0.00 O ATOM 1924 CB LYS A 124 12.600 -2.040 -5.062 1.00 0.00 C ATOM 1925 CG LYS A 124 13.298 -2.031 -6.402 1.00 0.00 C ATOM 1926 CD LYS A 124 14.280 -0.863 -6.490 1.00 0.00 C ATOM 1927 CE LYS A 124 15.132 -0.960 -7.732 1.00 0.00 C ATOM 1928 NZ LYS A 124 15.902 0.276 -8.019 1.00 0.00 N ATOM 0 H LYS A 124 10.928 -2.344 -3.079 1.00 0.00 H new ATOM 0 HA LYS A 124 10.812 -2.460 -6.042 1.00 0.00 H new ATOM 0 HB2 LYS A 124 12.486 -1.012 -4.719 1.00 0.00 H new ATOM 0 HB3 LYS A 124 13.237 -2.548 -4.338 1.00 0.00 H new ATOM 0 HG2 LYS A 124 13.829 -2.972 -6.547 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.561 -1.954 -7.201 1.00 0.00 H new ATOM 0 HD2 LYS A 124 13.730 0.078 -6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 124 14.919 -0.854 -5.607 1.00 0.00 H new ATOM 0 HE2 LYS A 124 15.826 -1.794 -7.623 1.00 0.00 H new ATOM 0 HE3 LYS A 124 14.492 -1.187 -8.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 15.471 0.775 -8.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 15.892 0.894 -7.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 16.884 0.027 -8.253 1.00 0.00 H new ATOM 1942 N GLU A 125 10.601 -4.813 -5.886 1.00 0.00 N ATOM 1943 CA GLU A 125 10.273 -6.209 -5.929 1.00 0.00 C ATOM 1944 C GLU A 125 11.445 -7.177 -5.862 1.00 0.00 C ATOM 1945 O GLU A 125 12.487 -7.007 -6.505 1.00 0.00 O ATOM 1946 CB GLU A 125 9.434 -6.465 -7.175 1.00 0.00 C ATOM 1947 CG GLU A 125 9.116 -7.908 -7.477 1.00 0.00 C ATOM 1948 CD GLU A 125 8.367 -8.031 -8.759 1.00 0.00 C ATOM 1949 OE1 GLU A 125 8.914 -7.669 -9.819 1.00 0.00 O ATOM 1950 OE2 GLU A 125 7.228 -8.481 -8.751 1.00 0.00 O ATOM 0 H GLU A 125 10.268 -4.310 -6.709 1.00 0.00 H new ATOM 0 HA GLU A 125 9.721 -6.417 -5.013 1.00 0.00 H new ATOM 0 HB2 GLU A 125 8.495 -5.921 -7.074 1.00 0.00 H new ATOM 0 HB3 GLU A 125 9.957 -6.042 -8.033 1.00 0.00 H new ATOM 0 HG2 GLU A 125 10.040 -8.484 -7.534 1.00 0.00 H new ATOM 0 HG3 GLU A 125 8.526 -8.332 -6.665 1.00 0.00 H new ATOM 1957 N LEU A 126 11.253 -8.154 -5.026 1.00 0.00 N ATOM 1958 CA LEU A 126 12.050 -9.346 -4.965 1.00 0.00 C ATOM 1959 C LEU A 126 11.084 -10.476 -5.401 1.00 0.00 C ATOM 1960 O LEU A 126 11.428 -11.329 -6.214 1.00 0.00 O ATOM 1961 CB LEU A 126 12.585 -9.609 -3.523 1.00 0.00 C ATOM 1962 CG LEU A 126 13.815 -8.831 -2.958 1.00 0.00 C ATOM 1963 CD1 LEU A 126 13.847 -7.376 -3.338 1.00 0.00 C ATOM 1964 CD2 LEU A 126 13.840 -8.963 -1.445 1.00 0.00 C ATOM 0 H LEU A 126 10.502 -8.142 -4.336 1.00 0.00 H new ATOM 0 HA LEU A 126 12.934 -9.275 -5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 126 11.755 -9.431 -2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 126 12.826 -10.670 -3.462 1.00 0.00 H new ATOM 0 HG LEU A 126 14.700 -9.282 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 126 14.731 -6.907 -2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 126 13.880 -7.284 -4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 126 12.953 -6.881 -2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 126 14.698 -8.421 -1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 126 12.923 -8.547 -1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 126 13.918 -10.016 -1.173 1.00 0.00 H new ATOM 1976 N TYR A 127 9.843 -10.419 -4.863 1.00 0.00 N ATOM 1977 CA TYR A 127 8.733 -11.332 -5.209 1.00 0.00 C ATOM 1978 C TYR A 127 7.380 -10.584 -5.164 1.00 0.00 C ATOM 1979 O TYR A 127 7.340 -9.367 -4.896 1.00 0.00 O ATOM 1980 CB TYR A 127 8.633 -12.526 -4.247 1.00 0.00 C ATOM 1981 CG TYR A 127 9.600 -13.640 -4.497 1.00 0.00 C ATOM 1982 CD1 TYR A 127 10.899 -13.562 -4.071 1.00 0.00 C ATOM 1983 CD2 TYR A 127 9.197 -14.781 -5.172 1.00 0.00 C ATOM 1984 CE1 TYR A 127 11.782 -14.574 -4.314 1.00 0.00 C ATOM 1985 CE2 TYR A 127 10.077 -15.805 -5.413 1.00 0.00 C ATOM 1986 CZ TYR A 127 11.370 -15.694 -4.983 1.00 0.00 C ATOM 1987 OH TYR A 127 12.264 -16.700 -5.242 1.00 0.00 O ATOM 0 H TYR A 127 9.583 -9.724 -4.164 1.00 0.00 H new ATOM 0 HA TYR A 127 8.946 -11.698 -6.213 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.779 -12.163 -3.230 1.00 0.00 H new ATOM 0 HB3 TYR A 127 7.621 -12.928 -4.300 1.00 0.00 H new ATOM 0 HD1 TYR A 127 11.230 -12.685 -3.534 1.00 0.00 H new ATOM 0 HD2 TYR A 127 8.176 -14.865 -5.513 1.00 0.00 H new ATOM 0 HE1 TYR A 127 12.805 -14.491 -3.978 1.00 0.00 H new ATOM 0 HE2 TYR A 127 9.751 -16.691 -5.938 1.00 0.00 H new ATOM 0 HH TYR A 127 11.812 -17.424 -5.723 1.00 0.00 H new ATOM 1997 N HIS A 128 6.282 -11.323 -5.405 1.00 0.00 N ATOM 1998 CA HIS A 128 4.899 -10.798 -5.367 1.00 0.00 C ATOM 1999 C HIS A 128 3.907 -11.940 -5.050 1.00 0.00 C ATOM 2000 O HIS A 128 4.183 -13.088 -5.397 1.00 0.00 O ATOM 2001 CB HIS A 128 4.526 -10.088 -6.702 1.00 0.00 C ATOM 2002 CG HIS A 128 4.764 -10.901 -7.958 1.00 0.00 C ATOM 2003 ND1 HIS A 128 5.732 -10.591 -8.866 1.00 0.00 N ATOM 2004 CD2 HIS A 128 4.148 -11.999 -8.445 1.00 0.00 C ATOM 2005 CE1 HIS A 128 5.709 -11.453 -9.850 1.00 0.00 C ATOM 2006 NE2 HIS A 128 4.756 -12.322 -9.620 1.00 0.00 N ATOM 0 H HIS A 128 6.328 -12.316 -5.635 1.00 0.00 H new ATOM 0 HA HIS A 128 4.837 -10.052 -4.574 1.00 0.00 H new ATOM 0 HB2 HIS A 128 3.473 -9.809 -6.664 1.00 0.00 H new ATOM 0 HB3 HIS A 128 5.098 -9.163 -6.774 1.00 0.00 H new ATOM 0 HD1 HIS A 128 6.378 -9.805 -8.790 1.00 0.00 H new ATOM 0 HD2 HIS A 128 3.324 -12.525 -7.987 1.00 0.00 H new ATOM 0 HE1 HIS A 128 6.365 -11.449 -10.708 1.00 0.00 H new ATOM 2015 N GLU A 129 2.751 -11.630 -4.409 1.00 0.00 N ATOM 2016 CA GLU A 129 1.769 -12.676 -4.011 1.00 0.00 C ATOM 2017 C GLU A 129 0.296 -12.234 -4.141 1.00 0.00 C ATOM 2018 O GLU A 129 -0.007 -11.054 -4.266 1.00 0.00 O ATOM 2019 CB GLU A 129 2.028 -13.206 -2.585 1.00 0.00 C ATOM 2020 CG GLU A 129 3.282 -14.044 -2.461 1.00 0.00 C ATOM 2021 CD GLU A 129 3.503 -14.598 -1.089 1.00 0.00 C ATOM 2022 OE1 GLU A 129 2.730 -15.466 -0.648 1.00 0.00 O ATOM 2023 OE2 GLU A 129 4.461 -14.195 -0.434 1.00 0.00 O ATOM 0 H GLU A 129 2.477 -10.680 -4.159 1.00 0.00 H new ATOM 0 HA GLU A 129 1.928 -13.483 -4.727 1.00 0.00 H new ATOM 0 HB2 GLU A 129 2.099 -12.360 -1.901 1.00 0.00 H new ATOM 0 HB3 GLU A 129 1.172 -13.802 -2.268 1.00 0.00 H new ATOM 0 HG2 GLU A 129 3.229 -14.869 -3.172 1.00 0.00 H new ATOM 0 HG3 GLU A 129 4.143 -13.437 -2.741 1.00 0.00 H new ATOM 2030 N THR A 130 -0.590 -13.215 -4.088 1.00 0.00 N ATOM 2031 CA THR A 130 -2.031 -13.050 -4.186 1.00 0.00 C ATOM 2032 C THR A 130 -2.730 -13.895 -3.128 1.00 0.00 C ATOM 2033 O THR A 130 -2.524 -15.113 -3.064 1.00 0.00 O ATOM 2034 CB THR A 130 -2.517 -13.474 -5.613 1.00 0.00 C ATOM 2035 OG1 THR A 130 -2.316 -12.384 -6.536 1.00 0.00 O ATOM 2036 CG2 THR A 130 -3.986 -13.950 -5.636 1.00 0.00 C ATOM 0 H THR A 130 -0.313 -14.190 -3.971 1.00 0.00 H new ATOM 0 HA THR A 130 -2.279 -12.002 -4.019 1.00 0.00 H new ATOM 0 HB THR A 130 -1.918 -14.332 -5.919 1.00 0.00 H new ATOM 0 HG1 THR A 130 -3.116 -11.818 -6.552 1.00 0.00 H new ATOM 0 HG21 THR A 130 -4.262 -14.230 -6.653 1.00 0.00 H new ATOM 0 HG22 THR A 130 -4.099 -14.812 -4.979 1.00 0.00 H new ATOM 0 HG23 THR A 130 -4.635 -13.144 -5.292 1.00 0.00 H new