USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 747 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 21 SER OG : rot 157:sc= -3.37! USER MOD Set 1.2: A 82 THR OG1 : rot -67:sc= 0.0861 USER MOD Set 2.1: A 14 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 15 SER OG : rot 94:sc= -0.192 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0865 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -53:sc= 1.3 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -59:sc= 1.61 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 28 CYS SG : rot 23:sc= 0.8 USER MOD Single : A 29 HIS : no HE2:sc= 0.0986 K(o=0.099,f=-2.6!) USER MOD Single : A 36 ASN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.033 USER MOD Single : A 38 ASN : amide:sc= -6.78! C(o=-6.8!,f=-9.1!) USER MOD Single : A 43 LYS NZ :NH3+ -110:sc= 0.819 (180deg=-1.64!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.201 F(o=-1.4,f=-0.2) USER MOD Single : A 47 SER OG : rot -63:sc= 1.17 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS :FLIP no HD1:sc= -3.11! C(o=-4.5!,f=-3.1!) USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc=-0.00194 X(o=-0.0019,f=-0.39) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0069 K(o=-0.0069,f=-1.6!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.034) USER MOD Single : A 81 SER OG : rot 66:sc= 1.34 USER MOD Single : A 84 HIS : no HD1:sc= -0.444 K(o=-0.44,f=-1.3) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HE2:sc= -0.55 K(o=-0.55,f=-2!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.534 -19.008 12.448 1.00 0.00 N ATOM 2 CA GLY A 1 -15.433 -18.934 11.309 1.00 0.00 C ATOM 3 C GLY A 1 -16.530 -17.894 11.543 1.00 0.00 C ATOM 4 O GLY A 1 -16.401 -17.034 12.414 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.554 -18.876 12.126 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.777 -18.263 13.131 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.626 -19.938 12.903 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.869 -18.677 10.412 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.884 -19.911 11.133 1.00 0.00 H new ATOM 8 N SER A 2 -17.586 -18.006 10.751 1.00 0.00 N ATOM 9 CA SER A 2 -18.705 -17.086 10.861 1.00 0.00 C ATOM 10 C SER A 2 -18.235 -15.655 10.592 1.00 0.00 C ATOM 11 O SER A 2 -17.076 -15.323 10.835 1.00 0.00 O ATOM 12 CB SER A 2 -19.361 -17.179 12.240 1.00 0.00 C ATOM 13 OG SER A 2 -20.686 -16.653 12.238 1.00 0.00 O ATOM 0 H SER A 2 -17.690 -18.720 10.030 1.00 0.00 H new ATOM 0 HA SER A 2 -19.450 -17.363 10.115 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.385 -18.221 12.560 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.756 -16.636 12.966 1.00 0.00 H new ATOM 0 HG SER A 2 -21.071 -16.732 13.136 1.00 0.00 H new ATOM 19 N SER A 3 -19.159 -14.846 10.095 1.00 0.00 N ATOM 20 CA SER A 3 -18.854 -13.459 9.791 1.00 0.00 C ATOM 21 C SER A 3 -19.324 -12.557 10.934 1.00 0.00 C ATOM 22 O SER A 3 -20.491 -12.598 11.322 1.00 0.00 O ATOM 23 CB SER A 3 -19.502 -13.028 8.474 1.00 0.00 C ATOM 24 OG SER A 3 -18.595 -13.116 7.378 1.00 0.00 O ATOM 0 H SER A 3 -20.120 -15.125 9.895 1.00 0.00 H new ATOM 0 HA SER A 3 -17.774 -13.363 9.681 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.372 -13.655 8.276 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.862 -12.003 8.565 1.00 0.00 H new ATOM 0 HG SER A 3 -19.047 -12.834 6.556 1.00 0.00 H new ATOM 30 N GLY A 4 -18.392 -11.763 11.441 1.00 0.00 N ATOM 31 CA GLY A 4 -18.697 -10.853 12.531 1.00 0.00 C ATOM 32 C GLY A 4 -19.646 -9.744 12.071 1.00 0.00 C ATOM 33 O GLY A 4 -20.855 -9.831 12.282 1.00 0.00 O ATOM 0 H GLY A 4 -17.425 -11.731 11.117 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.150 -11.405 13.355 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.775 -10.413 12.911 1.00 0.00 H new ATOM 37 N SER A 5 -19.063 -8.728 11.452 1.00 0.00 N ATOM 38 CA SER A 5 -19.842 -7.605 10.961 1.00 0.00 C ATOM 39 C SER A 5 -20.614 -6.959 12.113 1.00 0.00 C ATOM 40 O SER A 5 -20.824 -7.584 13.152 1.00 0.00 O ATOM 41 CB SER A 5 -20.806 -8.043 9.857 1.00 0.00 C ATOM 42 OG SER A 5 -22.029 -8.549 10.386 1.00 0.00 O ATOM 0 H SER A 5 -18.060 -8.659 11.279 1.00 0.00 H new ATOM 0 HA SER A 5 -19.155 -6.873 10.537 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.016 -7.197 9.203 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.331 -8.809 9.244 1.00 0.00 H new ATOM 0 HG SER A 5 -21.836 -9.252 11.041 1.00 0.00 H new ATOM 48 N SER A 6 -21.015 -5.716 11.892 1.00 0.00 N ATOM 49 CA SER A 6 -21.758 -4.978 12.899 1.00 0.00 C ATOM 50 C SER A 6 -20.907 -4.808 14.158 1.00 0.00 C ATOM 51 O SER A 6 -20.742 -5.750 14.933 1.00 0.00 O ATOM 52 CB SER A 6 -23.073 -5.683 13.239 1.00 0.00 C ATOM 53 OG SER A 6 -23.913 -4.879 14.063 1.00 0.00 O ATOM 0 H SER A 6 -20.839 -5.201 11.029 1.00 0.00 H new ATOM 0 HA SER A 6 -21.997 -3.994 12.495 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.600 -5.931 12.318 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.859 -6.623 13.747 1.00 0.00 H new ATOM 0 HG SER A 6 -24.743 -5.364 14.256 1.00 0.00 H new ATOM 59 N GLY A 7 -20.387 -3.601 14.325 1.00 0.00 N ATOM 60 CA GLY A 7 -19.556 -3.296 15.477 1.00 0.00 C ATOM 61 C GLY A 7 -19.152 -1.820 15.486 1.00 0.00 C ATOM 62 O GLY A 7 -19.693 -1.020 14.724 1.00 0.00 O ATOM 0 H GLY A 7 -20.525 -2.822 13.681 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.096 -3.534 16.393 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.663 -3.921 15.462 1.00 0.00 H new ATOM 66 N VAL A 8 -18.205 -1.504 16.357 1.00 0.00 N ATOM 67 CA VAL A 8 -17.722 -0.139 16.475 1.00 0.00 C ATOM 68 C VAL A 8 -16.781 0.168 15.308 1.00 0.00 C ATOM 69 O VAL A 8 -15.733 -0.461 15.170 1.00 0.00 O ATOM 70 CB VAL A 8 -17.067 0.068 17.842 1.00 0.00 C ATOM 71 CG1 VAL A 8 -16.490 1.480 17.965 1.00 0.00 C ATOM 72 CG2 VAL A 8 -18.055 -0.221 18.973 1.00 0.00 C ATOM 0 H VAL A 8 -17.759 -2.170 16.988 1.00 0.00 H new ATOM 0 HA VAL A 8 -18.552 0.566 16.417 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.243 -0.640 17.929 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -16.030 1.601 18.946 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -15.739 1.635 17.191 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -17.289 2.211 17.846 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -17.564 -0.066 19.934 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -18.910 0.451 18.890 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -18.397 -1.254 18.902 1.00 0.00 H new ATOM 82 N SER A 9 -17.189 1.134 14.499 1.00 0.00 N ATOM 83 CA SER A 9 -16.395 1.531 13.348 1.00 0.00 C ATOM 84 C SER A 9 -15.386 2.608 13.755 1.00 0.00 C ATOM 85 O SER A 9 -15.467 3.155 14.854 1.00 0.00 O ATOM 86 CB SER A 9 -17.286 2.041 12.214 1.00 0.00 C ATOM 87 OG SER A 9 -18.084 3.150 12.619 1.00 0.00 O ATOM 0 H SER A 9 -18.059 1.654 14.617 1.00 0.00 H new ATOM 0 HA SER A 9 -15.857 0.655 12.985 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.664 2.332 11.367 1.00 0.00 H new ATOM 0 HB3 SER A 9 -17.934 1.234 11.871 1.00 0.00 H new ATOM 0 HG SER A 9 -18.637 3.447 11.867 1.00 0.00 H new ATOM 93 N GLY A 10 -14.460 2.878 12.848 1.00 0.00 N ATOM 94 CA GLY A 10 -13.436 3.879 13.099 1.00 0.00 C ATOM 95 C GLY A 10 -13.250 4.789 11.883 1.00 0.00 C ATOM 96 O GLY A 10 -13.165 4.311 10.752 1.00 0.00 O ATOM 0 H GLY A 10 -14.397 2.422 11.938 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.712 4.478 13.967 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.493 3.388 13.338 1.00 0.00 H new ATOM 100 N ARG A 11 -13.192 6.084 12.156 1.00 0.00 N ATOM 101 CA ARG A 11 -13.017 7.065 11.099 1.00 0.00 C ATOM 102 C ARG A 11 -11.665 7.767 11.245 1.00 0.00 C ATOM 103 O ARG A 11 -11.516 8.923 10.850 1.00 0.00 O ATOM 104 CB ARG A 11 -14.133 8.111 11.128 1.00 0.00 C ATOM 105 CG ARG A 11 -14.038 8.979 12.384 1.00 0.00 C ATOM 106 CD ARG A 11 -15.265 9.883 12.519 1.00 0.00 C ATOM 107 NE ARG A 11 -15.036 11.158 11.803 1.00 0.00 N ATOM 108 CZ ARG A 11 -15.265 11.336 10.495 1.00 0.00 C ATOM 109 NH1 ARG A 11 -15.730 10.323 9.751 1.00 0.00 N ATOM 110 NH2 ARG A 11 -15.028 12.528 9.929 1.00 0.00 N ATOM 0 H ARG A 11 -13.263 6.477 13.095 1.00 0.00 H new ATOM 0 HA ARG A 11 -13.055 6.537 10.146 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -14.069 8.741 10.241 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -15.103 7.614 11.097 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.952 8.343 13.265 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.135 9.589 12.342 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -16.143 9.381 12.113 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -15.468 10.079 13.572 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.682 11.950 12.339 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.910 9.415 10.180 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.904 10.460 8.755 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.673 13.299 10.494 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.202 12.663 8.933 1.00 0.00 H new ATOM 124 N GLU A 12 -10.715 7.040 11.813 1.00 0.00 N ATOM 125 CA GLU A 12 -9.381 7.579 12.016 1.00 0.00 C ATOM 126 C GLU A 12 -8.325 6.571 11.555 1.00 0.00 C ATOM 127 O GLU A 12 -8.640 5.410 11.302 1.00 0.00 O ATOM 128 CB GLU A 12 -9.164 7.970 13.479 1.00 0.00 C ATOM 129 CG GLU A 12 -9.291 9.483 13.667 1.00 0.00 C ATOM 130 CD GLU A 12 -10.591 9.838 14.391 1.00 0.00 C ATOM 131 OE1 GLU A 12 -10.942 9.090 15.329 1.00 0.00 O ATOM 132 OE2 GLU A 12 -11.205 10.850 13.990 1.00 0.00 O ATOM 0 H GLU A 12 -10.842 6.082 12.139 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.280 8.482 11.414 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.894 7.459 14.108 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.177 7.641 13.804 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.440 9.855 14.237 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.265 9.977 12.696 1.00 0.00 H new ATOM 139 N PRO A 13 -7.062 7.066 11.458 1.00 0.00 N ATOM 140 CA PRO A 13 -5.959 6.222 11.032 1.00 0.00 C ATOM 141 C PRO A 13 -5.536 5.267 12.150 1.00 0.00 C ATOM 142 O PRO A 13 -5.183 4.118 11.890 1.00 0.00 O ATOM 143 CB PRO A 13 -4.858 7.189 10.628 1.00 0.00 C ATOM 144 CG PRO A 13 -5.210 8.517 11.276 1.00 0.00 C ATOM 145 CD PRO A 13 -6.653 8.437 11.749 1.00 0.00 C ATOM 0 HA PRO A 13 -6.224 5.571 10.199 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.884 6.835 10.967 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.802 7.286 9.544 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.544 8.721 12.115 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.086 9.334 10.565 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.734 8.657 12.814 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.282 9.157 11.226 1.00 0.00 H new ATOM 153 N SER A 14 -5.585 5.778 13.372 1.00 0.00 N ATOM 154 CA SER A 14 -5.212 4.985 14.530 1.00 0.00 C ATOM 155 C SER A 14 -3.742 4.572 14.430 1.00 0.00 C ATOM 156 O SER A 14 -3.312 4.037 13.409 1.00 0.00 O ATOM 157 CB SER A 14 -6.103 3.749 14.662 1.00 0.00 C ATOM 158 OG SER A 14 -5.821 3.012 15.849 1.00 0.00 O ATOM 0 H SER A 14 -5.878 6.732 13.585 1.00 0.00 H new ATOM 0 HA SER A 14 -5.351 5.596 15.422 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.149 4.055 14.665 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.962 3.106 13.794 1.00 0.00 H new ATOM 0 HG SER A 14 -6.412 2.232 15.898 1.00 0.00 H new ATOM 164 N SER A 15 -3.011 4.836 15.503 1.00 0.00 N ATOM 165 CA SER A 15 -1.599 4.498 15.549 1.00 0.00 C ATOM 166 C SER A 15 -0.773 5.616 14.910 1.00 0.00 C ATOM 167 O SER A 15 -1.275 6.362 14.070 1.00 0.00 O ATOM 168 CB SER A 15 -1.328 3.168 14.843 1.00 0.00 C ATOM 169 OG SER A 15 -2.378 2.229 15.051 1.00 0.00 O ATOM 0 H SER A 15 -3.371 5.280 16.348 1.00 0.00 H new ATOM 0 HA SER A 15 -1.307 4.390 16.593 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.205 3.344 13.774 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.390 2.749 15.207 1.00 0.00 H new ATOM 0 HG SER A 15 -3.014 2.279 14.307 1.00 0.00 H new ATOM 175 N ARG A 16 0.480 5.698 15.333 1.00 0.00 N ATOM 176 CA ARG A 16 1.381 6.713 14.813 1.00 0.00 C ATOM 177 C ARG A 16 1.622 6.493 13.318 1.00 0.00 C ATOM 178 O ARG A 16 1.674 5.355 12.855 1.00 0.00 O ATOM 179 CB ARG A 16 2.723 6.687 15.547 1.00 0.00 C ATOM 180 CG ARG A 16 3.444 8.030 15.419 1.00 0.00 C ATOM 181 CD ARG A 16 4.950 7.830 15.237 1.00 0.00 C ATOM 182 NE ARG A 16 5.641 7.977 16.537 1.00 0.00 N ATOM 183 CZ ARG A 16 5.842 9.150 17.153 1.00 0.00 C ATOM 184 NH1 ARG A 16 5.406 10.285 16.590 1.00 0.00 N ATOM 185 NH2 ARG A 16 6.479 9.188 18.331 1.00 0.00 N ATOM 0 H ARG A 16 0.893 5.078 16.030 1.00 0.00 H new ATOM 0 HA ARG A 16 0.912 7.684 14.971 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.561 6.456 16.600 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.349 5.894 15.139 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.042 8.583 14.570 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.259 8.632 16.308 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.146 6.842 14.821 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.338 8.558 14.525 1.00 0.00 H new ATOM 0 HE ARG A 16 5.986 7.132 16.993 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.921 10.256 15.693 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.559 11.178 17.058 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.811 8.324 18.759 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.632 10.081 18.800 1.00 0.00 H new ATOM 199 N ILE A 17 1.761 7.601 12.604 1.00 0.00 N ATOM 200 CA ILE A 17 1.995 7.544 11.171 1.00 0.00 C ATOM 201 C ILE A 17 3.501 7.580 10.903 1.00 0.00 C ATOM 202 O ILE A 17 4.273 8.040 11.742 1.00 0.00 O ATOM 203 CB ILE A 17 1.216 8.650 10.457 1.00 0.00 C ATOM 204 CG1 ILE A 17 -0.218 8.739 10.984 1.00 0.00 C ATOM 205 CG2 ILE A 17 1.257 8.458 8.940 1.00 0.00 C ATOM 206 CD1 ILE A 17 -1.002 7.466 10.660 1.00 0.00 C ATOM 0 H ILE A 17 1.716 8.543 12.992 1.00 0.00 H new ATOM 0 HA ILE A 17 1.620 6.606 10.760 1.00 0.00 H new ATOM 0 HB ILE A 17 1.699 9.602 10.675 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.204 8.897 12.062 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.719 9.601 10.542 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.696 9.258 8.457 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.292 8.483 8.598 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.813 7.496 8.683 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.017 7.556 11.046 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.035 7.324 9.580 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.513 6.609 11.123 1.00 0.00 H new ATOM 218 N ILE A 18 3.872 7.090 9.729 1.00 0.00 N ATOM 219 CA ILE A 18 5.271 7.060 9.340 1.00 0.00 C ATOM 220 C ILE A 18 5.394 7.447 7.864 1.00 0.00 C ATOM 221 O ILE A 18 4.425 7.352 7.112 1.00 0.00 O ATOM 222 CB ILE A 18 5.892 5.702 9.673 1.00 0.00 C ATOM 223 CG1 ILE A 18 5.007 4.558 9.176 1.00 0.00 C ATOM 224 CG2 ILE A 18 6.190 5.588 11.170 1.00 0.00 C ATOM 225 CD1 ILE A 18 5.790 3.245 9.115 1.00 0.00 C ATOM 0 H ILE A 18 3.228 6.711 9.035 1.00 0.00 H new ATOM 0 HA ILE A 18 5.840 7.793 9.911 1.00 0.00 H new ATOM 0 HB ILE A 18 6.844 5.624 9.148 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.149 4.443 9.838 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.617 4.799 8.187 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.631 4.613 11.380 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.888 6.373 11.463 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.264 5.697 11.735 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.137 2.448 8.759 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.633 3.356 8.433 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.158 2.994 10.110 1.00 0.00 H new ATOM 237 N ARG A 19 6.592 7.874 7.495 1.00 0.00 N ATOM 238 CA ARG A 19 6.853 8.275 6.123 1.00 0.00 C ATOM 239 C ARG A 19 7.385 7.089 5.315 1.00 0.00 C ATOM 240 O ARG A 19 8.555 6.728 5.432 1.00 0.00 O ATOM 241 CB ARG A 19 7.870 9.417 6.067 1.00 0.00 C ATOM 242 CG ARG A 19 8.205 9.782 4.619 1.00 0.00 C ATOM 243 CD ARG A 19 9.468 10.644 4.550 1.00 0.00 C ATOM 244 NE ARG A 19 10.472 10.001 3.672 1.00 0.00 N ATOM 245 CZ ARG A 19 11.737 10.423 3.545 1.00 0.00 C ATOM 246 NH1 ARG A 19 12.161 11.489 4.237 1.00 0.00 N ATOM 247 NH2 ARG A 19 12.578 9.778 2.725 1.00 0.00 N ATOM 0 H ARG A 19 7.393 7.951 8.122 1.00 0.00 H new ATOM 0 HA ARG A 19 5.912 8.619 5.694 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.471 10.290 6.583 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.779 9.125 6.592 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.348 8.873 4.035 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.368 10.320 4.173 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.221 11.635 4.169 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.881 10.780 5.550 1.00 0.00 H new ATOM 0 HE ARG A 19 10.183 9.187 3.130 1.00 0.00 H new ATOM 0 HH11 ARG A 19 11.520 11.980 4.861 1.00 0.00 H new ATOM 0 HH12 ARG A 19 13.124 11.810 4.140 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.255 8.967 2.198 1.00 0.00 H new ATOM 0 HH22 ARG A 19 13.541 10.099 2.628 1.00 0.00 H new ATOM 261 N VAL A 20 6.499 6.515 4.514 1.00 0.00 N ATOM 262 CA VAL A 20 6.864 5.377 3.688 1.00 0.00 C ATOM 263 C VAL A 20 7.007 5.833 2.234 1.00 0.00 C ATOM 264 O VAL A 20 6.048 6.316 1.634 1.00 0.00 O ATOM 265 CB VAL A 20 5.842 4.252 3.864 1.00 0.00 C ATOM 266 CG1 VAL A 20 6.251 3.010 3.070 1.00 0.00 C ATOM 267 CG2 VAL A 20 5.645 3.917 5.343 1.00 0.00 C ATOM 0 H VAL A 20 5.529 6.817 4.420 1.00 0.00 H new ATOM 0 HA VAL A 20 7.828 4.973 3.999 1.00 0.00 H new ATOM 0 HB VAL A 20 4.888 4.602 3.470 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.508 2.226 3.213 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.316 3.260 2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.221 2.658 3.420 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.914 3.114 5.440 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.594 3.597 5.773 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.287 4.800 5.872 1.00 0.00 H new ATOM 277 N SER A 21 8.212 5.664 1.710 1.00 0.00 N ATOM 278 CA SER A 21 8.493 6.052 0.338 1.00 0.00 C ATOM 279 C SER A 21 7.885 5.033 -0.629 1.00 0.00 C ATOM 280 O SER A 21 8.107 3.831 -0.490 1.00 0.00 O ATOM 281 CB SER A 21 9.998 6.178 0.098 1.00 0.00 C ATOM 282 OG SER A 21 10.422 5.435 -1.041 1.00 0.00 O ATOM 0 H SER A 21 9.005 5.264 2.211 1.00 0.00 H new ATOM 0 HA SER A 21 8.041 7.028 0.160 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.257 7.228 -0.038 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.536 5.829 0.979 1.00 0.00 H new ATOM 0 HG SER A 21 11.262 5.809 -1.381 1.00 0.00 H new ATOM 288 N VAL A 22 7.131 5.551 -1.587 1.00 0.00 N ATOM 289 CA VAL A 22 6.489 4.702 -2.576 1.00 0.00 C ATOM 290 C VAL A 22 7.187 4.883 -3.926 1.00 0.00 C ATOM 291 O VAL A 22 7.221 5.987 -4.468 1.00 0.00 O ATOM 292 CB VAL A 22 4.991 5.004 -2.632 1.00 0.00 C ATOM 293 CG1 VAL A 22 4.347 4.359 -3.861 1.00 0.00 C ATOM 294 CG2 VAL A 22 4.292 4.554 -1.348 1.00 0.00 C ATOM 0 H VAL A 22 6.950 6.549 -1.699 1.00 0.00 H new ATOM 0 HA VAL A 22 6.584 3.652 -2.298 1.00 0.00 H new ATOM 0 HB VAL A 22 4.871 6.084 -2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.282 4.589 -3.877 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.816 4.749 -4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.484 3.278 -3.819 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.228 4.781 -1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.427 3.480 -1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.722 5.080 -0.496 1.00 0.00 H new ATOM 304 N LYS A 23 7.726 3.783 -4.429 1.00 0.00 N ATOM 305 CA LYS A 23 8.421 3.806 -5.705 1.00 0.00 C ATOM 306 C LYS A 23 7.537 3.160 -6.774 1.00 0.00 C ATOM 307 O LYS A 23 7.212 1.977 -6.684 1.00 0.00 O ATOM 308 CB LYS A 23 9.801 3.159 -5.576 1.00 0.00 C ATOM 309 CG LYS A 23 10.859 3.970 -6.327 1.00 0.00 C ATOM 310 CD LYS A 23 11.275 5.205 -5.525 1.00 0.00 C ATOM 311 CE LYS A 23 12.716 5.607 -5.846 1.00 0.00 C ATOM 312 NZ LYS A 23 13.138 6.744 -4.998 1.00 0.00 N ATOM 0 H LYS A 23 7.696 2.870 -3.976 1.00 0.00 H new ATOM 0 HA LYS A 23 8.604 4.833 -6.020 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.074 3.084 -4.524 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.769 2.143 -5.970 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.732 3.346 -6.519 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.467 4.277 -7.297 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.604 6.033 -5.751 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.180 5.000 -4.459 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.381 4.759 -5.684 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.798 5.880 -6.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.118 7.004 -5.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.514 7.557 -5.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.079 6.471 -3.996 1.00 0.00 H new ATOM 326 N THR A 24 7.173 3.965 -7.761 1.00 0.00 N ATOM 327 CA THR A 24 6.333 3.486 -8.846 1.00 0.00 C ATOM 328 C THR A 24 7.134 3.410 -10.147 1.00 0.00 C ATOM 329 O THR A 24 8.150 4.087 -10.295 1.00 0.00 O ATOM 330 CB THR A 24 5.111 4.402 -8.938 1.00 0.00 C ATOM 331 OG1 THR A 24 5.589 5.550 -9.634 1.00 0.00 O ATOM 332 CG2 THR A 24 4.683 4.946 -7.573 1.00 0.00 C ATOM 0 H THR A 24 7.444 4.946 -7.832 1.00 0.00 H new ATOM 0 HA THR A 24 5.983 2.471 -8.656 1.00 0.00 H new ATOM 0 HB THR A 24 4.282 3.856 -9.388 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.327 5.954 -9.131 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.812 5.590 -7.695 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.431 4.116 -6.913 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.501 5.520 -7.138 1.00 0.00 H new ATOM 340 N PRO A 25 6.633 2.558 -11.081 1.00 0.00 N ATOM 341 CA PRO A 25 7.291 2.385 -12.365 1.00 0.00 C ATOM 342 C PRO A 25 7.039 3.587 -13.277 1.00 0.00 C ATOM 343 O PRO A 25 6.764 3.423 -14.465 1.00 0.00 O ATOM 344 CB PRO A 25 6.728 1.088 -12.924 1.00 0.00 C ATOM 345 CG PRO A 25 5.444 0.825 -12.155 1.00 0.00 C ATOM 346 CD PRO A 25 5.432 1.740 -10.941 1.00 0.00 C ATOM 0 HA PRO A 25 8.376 2.328 -12.277 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.532 1.176 -13.993 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.435 0.268 -12.796 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.576 1.016 -12.785 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.391 -0.219 -11.847 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.533 2.357 -10.919 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.449 1.168 -10.014 1.00 0.00 H new ATOM 354 N GLN A 26 7.142 4.769 -12.687 1.00 0.00 N ATOM 355 CA GLN A 26 6.929 5.998 -13.431 1.00 0.00 C ATOM 356 C GLN A 26 7.552 7.183 -12.689 1.00 0.00 C ATOM 357 O GLN A 26 8.404 7.883 -13.234 1.00 0.00 O ATOM 358 CB GLN A 26 5.439 6.234 -13.686 1.00 0.00 C ATOM 359 CG GLN A 26 4.862 5.151 -14.601 1.00 0.00 C ATOM 360 CD GLN A 26 3.494 5.566 -15.146 1.00 0.00 C ATOM 361 OE1 GLN A 26 2.690 6.187 -14.470 1.00 0.00 O ATOM 362 NE2 GLN A 26 3.275 5.190 -16.403 1.00 0.00 N ATOM 0 H GLN A 26 7.370 4.901 -11.702 1.00 0.00 H new ATOM 0 HA GLN A 26 7.419 5.902 -14.400 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.900 6.240 -12.738 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.295 7.214 -14.140 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.547 4.967 -15.429 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.769 4.215 -14.050 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.991 4.672 -16.912 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.391 5.420 -16.857 1.00 0.00 H new ATOM 371 N ASP A 27 7.103 7.370 -11.457 1.00 0.00 N ATOM 372 CA ASP A 27 7.605 8.458 -10.635 1.00 0.00 C ATOM 373 C ASP A 27 7.844 7.948 -9.212 1.00 0.00 C ATOM 374 O ASP A 27 7.692 6.757 -8.942 1.00 0.00 O ATOM 375 CB ASP A 27 6.596 9.605 -10.562 1.00 0.00 C ATOM 376 CG ASP A 27 5.131 9.189 -10.711 1.00 0.00 C ATOM 377 OD1 ASP A 27 4.540 8.811 -9.676 1.00 0.00 O ATOM 378 OD2 ASP A 27 4.635 9.257 -11.856 1.00 0.00 O ATOM 0 H ASP A 27 6.397 6.787 -11.008 1.00 0.00 H new ATOM 0 HA ASP A 27 8.530 8.820 -11.084 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.718 10.115 -9.607 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.834 10.328 -11.342 1.00 0.00 H new ATOM 383 N CYS A 28 8.214 8.874 -8.340 1.00 0.00 N ATOM 384 CA CYS A 28 8.475 8.532 -6.952 1.00 0.00 C ATOM 385 C CYS A 28 7.555 9.377 -6.068 1.00 0.00 C ATOM 386 O CYS A 28 7.528 10.601 -6.186 1.00 0.00 O ATOM 387 CB CYS A 28 9.949 8.725 -6.590 1.00 0.00 C ATOM 388 SG CYS A 28 10.365 10.508 -6.586 1.00 0.00 S ATOM 0 H CYS A 28 8.339 9.860 -8.567 1.00 0.00 H new ATOM 0 HA CYS A 28 8.264 7.475 -6.789 1.00 0.00 H new ATOM 0 HB2 CYS A 28 10.150 8.294 -5.609 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.580 8.198 -7.306 1.00 0.00 H new ATOM 0 HG CYS A 28 9.282 11.206 -6.412 1.00 0.00 H new ATOM 394 N HIS A 29 6.824 8.690 -5.203 1.00 0.00 N ATOM 395 CA HIS A 29 5.905 9.361 -4.300 1.00 0.00 C ATOM 396 C HIS A 29 6.107 8.835 -2.877 1.00 0.00 C ATOM 397 O HIS A 29 6.673 7.760 -2.684 1.00 0.00 O ATOM 398 CB HIS A 29 4.462 9.216 -4.786 1.00 0.00 C ATOM 399 CG HIS A 29 3.672 10.503 -4.758 1.00 0.00 C ATOM 400 ND1 HIS A 29 2.353 10.583 -5.171 1.00 0.00 N ATOM 401 CD2 HIS A 29 4.028 11.759 -4.361 1.00 0.00 C ATOM 402 CE1 HIS A 29 1.945 11.834 -5.026 1.00 0.00 C ATOM 403 NE2 HIS A 29 2.984 12.562 -4.524 1.00 0.00 N ATOM 0 H HIS A 29 6.850 7.675 -5.108 1.00 0.00 H new ATOM 0 HA HIS A 29 6.117 10.430 -4.289 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.470 8.829 -5.805 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.954 8.476 -4.168 1.00 0.00 H new ATOM 0 HD1 HIS A 29 1.791 9.810 -5.527 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.995 12.050 -3.979 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.962 12.212 -5.264 1.00 0.00 H new ATOM 411 N GLU A 30 5.633 9.617 -1.918 1.00 0.00 N ATOM 412 CA GLU A 30 5.755 9.243 -0.520 1.00 0.00 C ATOM 413 C GLU A 30 4.388 9.303 0.166 1.00 0.00 C ATOM 414 O GLU A 30 3.642 10.264 -0.012 1.00 0.00 O ATOM 415 CB GLU A 30 6.769 10.134 0.200 1.00 0.00 C ATOM 416 CG GLU A 30 6.265 11.576 0.291 1.00 0.00 C ATOM 417 CD GLU A 30 7.408 12.571 0.084 1.00 0.00 C ATOM 418 OE1 GLU A 30 8.279 12.267 -0.760 1.00 0.00 O ATOM 419 OE2 GLU A 30 7.386 13.613 0.774 1.00 0.00 O ATOM 0 H GLU A 30 5.164 10.508 -2.082 1.00 0.00 H new ATOM 0 HA GLU A 30 6.122 8.218 -0.469 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.953 9.746 1.202 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.721 10.110 -0.331 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.493 11.743 -0.460 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.805 11.743 1.265 1.00 0.00 H new ATOM 426 N PHE A 31 4.103 8.263 0.937 1.00 0.00 N ATOM 427 CA PHE A 31 2.839 8.186 1.650 1.00 0.00 C ATOM 428 C PHE A 31 3.062 8.203 3.164 1.00 0.00 C ATOM 429 O PHE A 31 4.174 7.965 3.634 1.00 0.00 O ATOM 430 CB PHE A 31 2.185 6.859 1.258 1.00 0.00 C ATOM 431 CG PHE A 31 1.655 6.827 -0.177 1.00 0.00 C ATOM 432 CD1 PHE A 31 2.506 7.015 -1.220 1.00 0.00 C ATOM 433 CD2 PHE A 31 0.333 6.609 -0.408 1.00 0.00 C ATOM 434 CE1 PHE A 31 2.014 6.985 -2.552 1.00 0.00 C ATOM 435 CE2 PHE A 31 -0.159 6.579 -1.740 1.00 0.00 C ATOM 436 CZ PHE A 31 0.692 6.767 -2.784 1.00 0.00 C ATOM 0 H PHE A 31 4.725 7.468 1.083 1.00 0.00 H new ATOM 0 HA PHE A 31 2.213 9.040 1.392 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.912 6.056 1.384 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.362 6.655 1.943 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.556 7.187 -1.036 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.343 6.459 0.421 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.690 7.135 -3.381 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.209 6.407 -1.924 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.318 6.743 -3.797 1.00 0.00 H new ATOM 446 N PHE A 32 1.988 8.488 3.885 1.00 0.00 N ATOM 447 CA PHE A 32 2.052 8.539 5.335 1.00 0.00 C ATOM 448 C PHE A 32 0.814 7.894 5.963 1.00 0.00 C ATOM 449 O PHE A 32 -0.255 8.501 5.998 1.00 0.00 O ATOM 450 CB PHE A 32 2.097 10.017 5.729 1.00 0.00 C ATOM 451 CG PHE A 32 3.484 10.652 5.606 1.00 0.00 C ATOM 452 CD1 PHE A 32 4.031 10.860 4.378 1.00 0.00 C ATOM 453 CD2 PHE A 32 4.170 11.008 6.725 1.00 0.00 C ATOM 454 CE1 PHE A 32 5.318 11.449 4.265 1.00 0.00 C ATOM 455 CE2 PHE A 32 5.457 11.597 6.611 1.00 0.00 C ATOM 456 CZ PHE A 32 6.004 11.805 5.384 1.00 0.00 C ATOM 0 H PHE A 32 1.068 8.686 3.492 1.00 0.00 H new ATOM 0 HA PHE A 32 2.929 7.996 5.687 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.398 10.571 5.102 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.752 10.119 6.758 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.486 10.577 3.489 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.736 10.843 7.700 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.752 11.614 3.290 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.002 11.880 7.500 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.983 12.253 5.298 1.00 0.00 H new ATOM 466 N LEU A 33 1.001 6.673 6.441 1.00 0.00 N ATOM 467 CA LEU A 33 -0.087 5.939 7.065 1.00 0.00 C ATOM 468 C LEU A 33 0.421 5.274 8.346 1.00 0.00 C ATOM 469 O LEU A 33 1.628 5.172 8.560 1.00 0.00 O ATOM 470 CB LEU A 33 -0.713 4.961 6.070 1.00 0.00 C ATOM 471 CG LEU A 33 0.171 3.790 5.634 1.00 0.00 C ATOM 472 CD1 LEU A 33 1.528 4.285 5.131 1.00 0.00 C ATOM 473 CD2 LEU A 33 0.317 2.764 6.760 1.00 0.00 C ATOM 0 H LEU A 33 1.890 6.173 6.409 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.888 6.618 7.355 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.624 4.558 6.512 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.009 5.518 5.181 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.317 3.286 4.800 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.136 3.433 4.828 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.380 4.947 4.278 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.036 4.828 5.928 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.950 1.943 6.424 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.771 3.240 7.629 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.666 2.378 7.030 1.00 0.00 H new ATOM 485 N ALA A 34 -0.526 4.837 9.163 1.00 0.00 N ATOM 486 CA ALA A 34 -0.189 4.184 10.417 1.00 0.00 C ATOM 487 C ALA A 34 0.994 3.240 10.194 1.00 0.00 C ATOM 488 O ALA A 34 1.023 2.497 9.214 1.00 0.00 O ATOM 489 CB ALA A 34 -1.421 3.457 10.960 1.00 0.00 C ATOM 0 H ALA A 34 -1.526 4.922 8.981 1.00 0.00 H new ATOM 0 HA ALA A 34 0.112 4.919 11.164 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.169 2.967 11.900 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.223 4.176 11.129 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.750 2.710 10.238 1.00 0.00 H new ATOM 495 N GLU A 35 1.941 3.301 11.119 1.00 0.00 N ATOM 496 CA GLU A 35 3.123 2.461 11.035 1.00 0.00 C ATOM 497 C GLU A 35 2.756 0.999 11.298 1.00 0.00 C ATOM 498 O GLU A 35 3.531 0.095 10.990 1.00 0.00 O ATOM 499 CB GLU A 35 4.205 2.938 12.007 1.00 0.00 C ATOM 500 CG GLU A 35 3.675 2.974 13.442 1.00 0.00 C ATOM 501 CD GLU A 35 4.728 2.467 14.429 1.00 0.00 C ATOM 502 OE1 GLU A 35 5.498 1.569 14.025 1.00 0.00 O ATOM 503 OE2 GLU A 35 4.740 2.989 15.564 1.00 0.00 O ATOM 0 H GLU A 35 1.913 3.919 11.930 1.00 0.00 H new ATOM 0 HA GLU A 35 3.528 2.537 10.026 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.068 2.274 11.951 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.547 3.931 11.717 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.389 3.993 13.702 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.777 2.361 13.517 1.00 0.00 H new ATOM 510 N ASN A 36 1.573 0.813 11.865 1.00 0.00 N ATOM 511 CA ASN A 36 1.093 -0.524 12.173 1.00 0.00 C ATOM 512 C ASN A 36 -0.170 -0.808 11.358 1.00 0.00 C ATOM 513 O ASN A 36 -1.120 -1.401 11.866 1.00 0.00 O ATOM 514 CB ASN A 36 0.738 -0.654 13.656 1.00 0.00 C ATOM 515 CG ASN A 36 1.932 -0.287 14.540 1.00 0.00 C ATOM 516 OD1 ASN A 36 1.721 0.767 15.323 1.00 0.00 O flip ATOM 517 ND2 ASN A 36 2.975 -0.918 14.512 1.00 0.00 N flip ATOM 0 H ASN A 36 0.933 1.565 12.119 1.00 0.00 H new ATOM 0 HA ASN A 36 1.885 -1.231 11.929 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.105 -0.004 13.890 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.423 -1.675 13.870 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.070 -1.718 13.887 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.752 -0.646 15.114 1.00 0.00 H new ATOM 524 N SER A 37 -0.139 -0.372 10.107 1.00 0.00 N ATOM 525 CA SER A 37 -1.269 -0.572 9.216 1.00 0.00 C ATOM 526 C SER A 37 -1.004 -1.764 8.294 1.00 0.00 C ATOM 527 O SER A 37 -0.088 -1.726 7.474 1.00 0.00 O ATOM 528 CB SER A 37 -1.550 0.685 8.392 1.00 0.00 C ATOM 529 OG SER A 37 -2.871 1.177 8.602 1.00 0.00 O ATOM 0 H SER A 37 0.651 0.119 9.689 1.00 0.00 H new ATOM 0 HA SER A 37 -2.150 -0.780 9.823 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.829 1.459 8.654 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.409 0.464 7.334 1.00 0.00 H new ATOM 0 HG SER A 37 -3.011 1.981 8.060 1.00 0.00 H new ATOM 535 N ASN A 38 -1.822 -2.793 8.459 1.00 0.00 N ATOM 536 CA ASN A 38 -1.687 -3.993 7.651 1.00 0.00 C ATOM 537 C ASN A 38 -1.327 -3.600 6.217 1.00 0.00 C ATOM 538 O ASN A 38 -1.662 -2.505 5.767 1.00 0.00 O ATOM 539 CB ASN A 38 -2.999 -4.779 7.610 1.00 0.00 C ATOM 540 CG ASN A 38 -4.196 -3.840 7.452 1.00 0.00 C ATOM 541 OD1 ASN A 38 -4.400 -2.918 8.224 1.00 0.00 O ATOM 542 ND2 ASN A 38 -4.975 -4.126 6.412 1.00 0.00 N ATOM 0 H ASN A 38 -2.581 -2.821 9.140 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.908 -4.613 8.095 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.977 -5.488 6.782 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.107 -5.361 8.525 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.801 -3.558 6.222 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.746 -4.913 5.805 1.00 0.00 H new ATOM 549 N VAL A 39 -0.649 -4.514 5.539 1.00 0.00 N ATOM 550 CA VAL A 39 -0.239 -4.276 4.166 1.00 0.00 C ATOM 551 C VAL A 39 -1.455 -3.848 3.342 1.00 0.00 C ATOM 552 O VAL A 39 -1.369 -2.924 2.535 1.00 0.00 O ATOM 553 CB VAL A 39 0.456 -5.519 3.604 1.00 0.00 C ATOM 554 CG1 VAL A 39 0.509 -5.474 2.076 1.00 0.00 C ATOM 555 CG2 VAL A 39 1.857 -5.678 4.197 1.00 0.00 C ATOM 0 H VAL A 39 -0.373 -5.421 5.915 1.00 0.00 H new ATOM 0 HA VAL A 39 0.487 -3.465 4.120 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.131 -6.391 3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.008 -6.369 1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.505 -5.431 1.678 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.062 -4.591 1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.329 -6.568 3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.457 -4.801 3.953 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.785 -5.778 5.280 1.00 0.00 H new ATOM 565 N ARG A 40 -2.561 -4.541 3.574 1.00 0.00 N ATOM 566 CA ARG A 40 -3.793 -4.245 2.864 1.00 0.00 C ATOM 567 C ARG A 40 -4.071 -2.740 2.889 1.00 0.00 C ATOM 568 O ARG A 40 -3.993 -2.073 1.859 1.00 0.00 O ATOM 569 CB ARG A 40 -4.979 -4.986 3.484 1.00 0.00 C ATOM 570 CG ARG A 40 -5.910 -5.534 2.401 1.00 0.00 C ATOM 571 CD ARG A 40 -6.878 -6.567 2.981 1.00 0.00 C ATOM 572 NE ARG A 40 -8.135 -6.578 2.200 1.00 0.00 N ATOM 573 CZ ARG A 40 -9.155 -5.734 2.407 1.00 0.00 C ATOM 574 NH1 ARG A 40 -9.073 -4.807 3.372 1.00 0.00 N ATOM 575 NH2 ARG A 40 -10.258 -5.817 1.650 1.00 0.00 N ATOM 0 H ARG A 40 -2.629 -5.307 4.244 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.670 -4.579 1.834 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.616 -5.805 4.105 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.533 -4.311 4.137 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.472 -4.715 1.952 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.320 -5.990 1.606 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.421 -7.556 2.963 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.090 -6.333 4.024 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.231 -7.271 1.458 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.234 -4.744 3.949 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.850 -4.165 3.529 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.321 -6.523 0.916 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.034 -5.174 1.808 1.00 0.00 H new ATOM 589 N ARG A 41 -4.390 -2.250 4.078 1.00 0.00 N ATOM 590 CA ARG A 41 -4.680 -0.837 4.252 1.00 0.00 C ATOM 591 C ARG A 41 -3.689 0.011 3.452 1.00 0.00 C ATOM 592 O ARG A 41 -4.092 0.841 2.639 1.00 0.00 O ATOM 593 CB ARG A 41 -4.608 -0.437 5.727 1.00 0.00 C ATOM 594 CG ARG A 41 -5.899 -0.809 6.460 1.00 0.00 C ATOM 595 CD ARG A 41 -6.277 0.263 7.484 1.00 0.00 C ATOM 596 NE ARG A 41 -7.466 -0.168 8.252 1.00 0.00 N ATOM 597 CZ ARG A 41 -8.720 -0.125 7.781 1.00 0.00 C ATOM 598 NH1 ARG A 41 -8.956 0.330 6.543 1.00 0.00 N ATOM 599 NH2 ARG A 41 -9.738 -0.536 8.549 1.00 0.00 N ATOM 0 H ARG A 41 -4.454 -2.807 4.930 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.692 -0.659 3.888 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.761 -0.933 6.201 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.436 0.636 5.808 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.708 -0.930 5.740 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.773 -1.768 6.962 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.442 0.442 8.161 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.483 1.205 6.977 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.322 -0.520 9.199 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.181 0.644 5.959 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.911 0.363 6.185 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.558 -0.881 9.492 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.693 -0.503 8.191 1.00 0.00 H new ATOM 613 N PHE A 42 -2.412 -0.228 3.710 1.00 0.00 N ATOM 614 CA PHE A 42 -1.360 0.503 3.024 1.00 0.00 C ATOM 615 C PHE A 42 -1.585 0.496 1.510 1.00 0.00 C ATOM 616 O PHE A 42 -1.353 1.501 0.840 1.00 0.00 O ATOM 617 CB PHE A 42 -0.043 -0.210 3.335 1.00 0.00 C ATOM 618 CG PHE A 42 1.196 0.510 2.801 1.00 0.00 C ATOM 619 CD1 PHE A 42 1.124 1.825 2.459 1.00 0.00 C ATOM 620 CD2 PHE A 42 2.370 -0.164 2.668 1.00 0.00 C ATOM 621 CE1 PHE A 42 2.274 2.494 1.964 1.00 0.00 C ATOM 622 CE2 PHE A 42 3.520 0.505 2.172 1.00 0.00 C ATOM 623 CZ PHE A 42 3.448 1.820 1.831 1.00 0.00 C ATOM 0 H PHE A 42 -2.082 -0.918 4.385 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.349 1.540 3.358 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.052 -0.321 4.415 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.077 -1.214 2.913 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.192 2.360 2.564 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.427 -1.208 2.940 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.217 3.538 1.693 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.452 -0.030 2.065 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.323 2.329 1.455 1.00 0.00 H new ATOM 633 N LYS A 43 -2.034 -0.649 1.016 1.00 0.00 N ATOM 634 CA LYS A 43 -2.293 -0.800 -0.405 1.00 0.00 C ATOM 635 C LYS A 43 -3.448 0.118 -0.809 1.00 0.00 C ATOM 636 O LYS A 43 -3.384 0.786 -1.841 1.00 0.00 O ATOM 637 CB LYS A 43 -2.526 -2.271 -0.754 1.00 0.00 C ATOM 638 CG LYS A 43 -1.253 -3.094 -0.539 1.00 0.00 C ATOM 639 CD LYS A 43 -1.576 -4.585 -0.434 1.00 0.00 C ATOM 640 CE LYS A 43 -0.841 -5.383 -1.513 1.00 0.00 C ATOM 641 NZ LYS A 43 -1.737 -6.402 -2.104 1.00 0.00 N ATOM 0 H LYS A 43 -2.225 -1.481 1.575 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.423 -0.493 -0.985 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.331 -2.672 -0.138 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.847 -2.356 -1.792 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.563 -2.925 -1.365 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.750 -2.762 0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.293 -4.953 0.552 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.651 -4.736 -0.534 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.483 -4.709 -2.292 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.036 -5.867 -1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.427 -7.350 -1.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.711 -6.239 -1.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.704 -6.334 -3.141 1.00 0.00 H new ATOM 655 N LYS A 44 -4.478 0.122 0.024 1.00 0.00 N ATOM 656 CA LYS A 44 -5.647 0.947 -0.234 1.00 0.00 C ATOM 657 C LYS A 44 -5.202 2.389 -0.484 1.00 0.00 C ATOM 658 O LYS A 44 -5.541 2.978 -1.510 1.00 0.00 O ATOM 659 CB LYS A 44 -6.663 0.805 0.901 1.00 0.00 C ATOM 660 CG LYS A 44 -7.522 -0.447 0.715 1.00 0.00 C ATOM 661 CD LYS A 44 -8.017 -0.978 2.062 1.00 0.00 C ATOM 662 CE LYS A 44 -9.453 -1.496 1.953 1.00 0.00 C ATOM 663 NZ LYS A 44 -10.234 -1.114 3.150 1.00 0.00 N ATOM 0 H LYS A 44 -4.528 -0.433 0.878 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.160 0.610 -1.135 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.141 0.754 1.857 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.302 1.687 0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.374 -0.216 0.076 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.942 -1.218 0.207 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.362 -1.780 2.404 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.968 -0.186 2.809 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.925 -1.090 1.059 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.447 -2.581 1.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.206 -1.473 3.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.791 -1.522 3.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.255 -0.078 3.235 1.00 0.00 H new ATOM 677 N GLN A 45 -4.448 2.917 0.469 1.00 0.00 N ATOM 678 CA GLN A 45 -3.954 4.279 0.365 1.00 0.00 C ATOM 679 C GLN A 45 -3.363 4.524 -1.025 1.00 0.00 C ATOM 680 O GLN A 45 -3.537 5.599 -1.597 1.00 0.00 O ATOM 681 CB GLN A 45 -2.924 4.574 1.457 1.00 0.00 C ATOM 682 CG GLN A 45 -3.325 5.807 2.270 1.00 0.00 C ATOM 683 CD GLN A 45 -2.176 6.815 2.337 1.00 0.00 C ATOM 684 OE1 GLN A 45 -1.071 6.340 2.904 1.00 0.00 O flip ATOM 685 NE2 GLN A 45 -2.286 7.951 1.904 1.00 0.00 N flip ATOM 0 H GLN A 45 -4.167 2.425 1.317 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.793 4.961 0.508 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.832 3.712 2.118 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.945 4.734 1.005 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.200 6.276 1.819 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.609 5.506 3.278 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.163 8.252 1.480 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.501 8.599 1.966 1.00 0.00 H new ATOM 694 N ILE A 46 -2.678 3.508 -1.530 1.00 0.00 N ATOM 695 CA ILE A 46 -2.061 3.600 -2.842 1.00 0.00 C ATOM 696 C ILE A 46 -3.154 3.683 -3.910 1.00 0.00 C ATOM 697 O ILE A 46 -3.069 4.497 -4.828 1.00 0.00 O ATOM 698 CB ILE A 46 -1.080 2.445 -3.055 1.00 0.00 C ATOM 699 CG1 ILE A 46 -0.004 2.433 -1.967 1.00 0.00 C ATOM 700 CG2 ILE A 46 -0.475 2.491 -4.459 1.00 0.00 C ATOM 701 CD1 ILE A 46 0.652 1.054 -1.860 1.00 0.00 C ATOM 0 H ILE A 46 -2.537 2.617 -1.054 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.467 4.511 -2.921 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.632 1.508 -2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.754 3.184 -2.191 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.447 2.704 -1.009 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.218 1.659 -4.584 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.270 2.415 -5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.059 3.432 -4.595 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.413 1.073 -1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.104 0.310 -1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.115 0.797 -2.812 1.00 0.00 H new ATOM 713 N SER A 47 -4.155 2.829 -3.754 1.00 0.00 N ATOM 714 CA SER A 47 -5.263 2.796 -4.693 1.00 0.00 C ATOM 715 C SER A 47 -5.922 4.174 -4.775 1.00 0.00 C ATOM 716 O SER A 47 -6.274 4.635 -5.860 1.00 0.00 O ATOM 717 CB SER A 47 -6.294 1.738 -4.292 1.00 0.00 C ATOM 718 OG SER A 47 -7.245 2.246 -3.361 1.00 0.00 O ATOM 0 H SER A 47 -4.222 2.155 -2.991 1.00 0.00 H new ATOM 0 HA SER A 47 -4.871 2.529 -5.674 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.813 1.381 -5.182 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.782 0.880 -3.856 1.00 0.00 H new ATOM 0 HG SER A 47 -6.787 2.506 -2.534 1.00 0.00 H new ATOM 724 N LYS A 48 -6.068 4.795 -3.613 1.00 0.00 N ATOM 725 CA LYS A 48 -6.678 6.111 -3.539 1.00 0.00 C ATOM 726 C LYS A 48 -6.043 7.023 -4.591 1.00 0.00 C ATOM 727 O LYS A 48 -6.743 7.758 -5.286 1.00 0.00 O ATOM 728 CB LYS A 48 -6.592 6.663 -2.115 1.00 0.00 C ATOM 729 CG LYS A 48 -7.799 6.223 -1.283 1.00 0.00 C ATOM 730 CD LYS A 48 -7.370 5.297 -0.143 1.00 0.00 C ATOM 731 CE LYS A 48 -8.568 4.908 0.727 1.00 0.00 C ATOM 732 NZ LYS A 48 -8.197 4.931 2.159 1.00 0.00 N ATOM 0 H LYS A 48 -5.774 4.410 -2.715 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.742 6.050 -3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.673 6.316 -1.642 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.544 7.752 -2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.303 7.099 -0.875 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.518 5.710 -1.922 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.907 4.399 -0.553 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.617 5.793 0.469 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.394 5.597 0.548 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.917 3.913 0.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.021 4.665 2.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.424 4.257 2.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.885 5.888 2.422 1.00 0.00 H new ATOM 746 N TYR A 49 -4.723 6.945 -4.675 1.00 0.00 N ATOM 747 CA TYR A 49 -3.985 7.754 -5.631 1.00 0.00 C ATOM 748 C TYR A 49 -3.803 7.009 -6.955 1.00 0.00 C ATOM 749 O TYR A 49 -4.332 7.427 -7.984 1.00 0.00 O ATOM 750 CB TYR A 49 -2.611 7.998 -5.004 1.00 0.00 C ATOM 751 CG TYR A 49 -1.650 8.786 -5.898 1.00 0.00 C ATOM 752 CD1 TYR A 49 -1.946 10.087 -6.249 1.00 0.00 C ATOM 753 CD2 TYR A 49 -0.489 8.195 -6.352 1.00 0.00 C ATOM 754 CE1 TYR A 49 -1.042 10.829 -7.090 1.00 0.00 C ATOM 755 CE2 TYR A 49 0.415 8.936 -7.192 1.00 0.00 C ATOM 756 CZ TYR A 49 0.094 10.217 -7.520 1.00 0.00 C ATOM 757 OH TYR A 49 0.947 10.917 -8.314 1.00 0.00 O ATOM 0 H TYR A 49 -4.145 6.334 -4.097 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.519 8.680 -5.843 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.742 8.536 -4.065 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.158 7.037 -4.760 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.855 10.549 -5.893 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.258 7.176 -6.077 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.261 11.848 -7.373 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.327 8.485 -7.554 1.00 0.00 H new ATOM 0 HH TYR A 49 1.716 10.355 -8.544 1.00 0.00 H new ATOM 767 N LEU A 50 -3.054 5.919 -6.886 1.00 0.00 N ATOM 768 CA LEU A 50 -2.796 5.112 -8.067 1.00 0.00 C ATOM 769 C LEU A 50 -4.107 4.886 -8.821 1.00 0.00 C ATOM 770 O LEU A 50 -4.102 4.678 -10.034 1.00 0.00 O ATOM 771 CB LEU A 50 -2.076 3.817 -7.684 1.00 0.00 C ATOM 772 CG LEU A 50 -0.547 3.861 -7.731 1.00 0.00 C ATOM 773 CD1 LEU A 50 0.015 4.660 -6.554 1.00 0.00 C ATOM 774 CD2 LEU A 50 0.040 2.449 -7.797 1.00 0.00 C ATOM 0 H LEU A 50 -2.617 5.575 -6.031 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.123 5.635 -8.746 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.381 3.540 -6.675 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.418 3.024 -8.349 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.248 4.378 -8.643 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.103 4.676 -6.611 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.365 5.681 -6.593 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.292 4.194 -5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.128 2.508 -7.830 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.266 1.886 -6.915 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.323 1.946 -8.693 1.00 0.00 H new ATOM 786 N HIS A 51 -5.200 4.935 -8.073 1.00 0.00 N ATOM 787 CA HIS A 51 -6.516 4.739 -8.656 1.00 0.00 C ATOM 788 C HIS A 51 -6.453 3.622 -9.700 1.00 0.00 C ATOM 789 O HIS A 51 -6.852 3.817 -10.847 1.00 0.00 O ATOM 790 CB HIS A 51 -7.060 6.051 -9.224 1.00 0.00 C ATOM 791 CG HIS A 51 -6.508 6.408 -10.583 1.00 0.00 C ATOM 792 ND1 HIS A 51 -5.253 6.782 -10.965 1.00 0.00 N flip ATOM 793 CD2 HIS A 51 -7.281 6.402 -11.731 1.00 0.00 C flip ATOM 794 CE1 HIS A 51 -5.259 6.992 -12.276 1.00 0.00 C flip ATOM 795 NE2 HIS A 51 -6.515 6.757 -12.753 1.00 0.00 N flip ATOM 0 H HIS A 51 -5.201 5.108 -7.068 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.218 4.427 -7.882 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.146 5.983 -9.291 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.833 6.858 -8.528 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -8.330 6.151 -11.785 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.409 7.299 -12.868 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -6.813 6.840 -13.725 1.00 0.00 H new ATOM 803 N CYS A 52 -5.949 2.476 -9.265 1.00 0.00 N ATOM 804 CA CYS A 52 -5.829 1.328 -10.147 1.00 0.00 C ATOM 805 C CYS A 52 -6.201 0.073 -9.356 1.00 0.00 C ATOM 806 O CYS A 52 -5.643 -0.999 -9.587 1.00 0.00 O ATOM 807 CB CYS A 52 -4.429 1.226 -10.755 1.00 0.00 C ATOM 808 SG CYS A 52 -4.425 1.942 -12.440 1.00 0.00 S ATOM 0 H CYS A 52 -5.619 2.318 -8.313 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.512 1.440 -10.989 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.711 1.752 -10.126 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.115 0.183 -10.793 1.00 0.00 H new ATOM 0 HG CYS A 52 -3.231 1.853 -12.947 1.00 0.00 H new ATOM 814 N ASN A 53 -7.140 0.247 -8.437 1.00 0.00 N ATOM 815 CA ASN A 53 -7.592 -0.858 -7.610 1.00 0.00 C ATOM 816 C ASN A 53 -6.418 -1.384 -6.782 1.00 0.00 C ATOM 817 O ASN A 53 -5.299 -1.489 -7.282 1.00 0.00 O ATOM 818 CB ASN A 53 -8.118 -2.010 -8.469 1.00 0.00 C ATOM 819 CG ASN A 53 -9.413 -1.616 -9.181 1.00 0.00 C ATOM 820 OD1 ASN A 53 -10.304 -1.007 -8.612 1.00 0.00 O ATOM 821 ND2 ASN A 53 -9.469 -1.997 -10.454 1.00 0.00 N ATOM 0 H ASN A 53 -7.600 1.137 -8.247 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.393 -0.492 -6.967 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.365 -2.292 -9.205 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.295 -2.884 -7.842 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.293 -1.782 -11.015 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.688 -2.504 -10.869 1.00 0.00 H new ATOM 828 N ALA A 54 -6.713 -1.700 -5.530 1.00 0.00 N ATOM 829 CA ALA A 54 -5.695 -2.211 -4.628 1.00 0.00 C ATOM 830 C ALA A 54 -5.581 -3.727 -4.801 1.00 0.00 C ATOM 831 O ALA A 54 -4.562 -4.321 -4.452 1.00 0.00 O ATOM 832 CB ALA A 54 -6.039 -1.814 -3.191 1.00 0.00 C ATOM 0 H ALA A 54 -7.642 -1.612 -5.119 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.723 -1.777 -4.863 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.275 -2.198 -2.515 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.080 -0.728 -3.114 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.008 -2.234 -2.920 1.00 0.00 H new ATOM 838 N ASP A 55 -6.641 -4.310 -5.342 1.00 0.00 N ATOM 839 CA ASP A 55 -6.673 -5.745 -5.566 1.00 0.00 C ATOM 840 C ASP A 55 -5.551 -6.131 -6.531 1.00 0.00 C ATOM 841 O ASP A 55 -5.085 -7.270 -6.524 1.00 0.00 O ATOM 842 CB ASP A 55 -8.002 -6.176 -6.191 1.00 0.00 C ATOM 843 CG ASP A 55 -8.364 -7.649 -5.990 1.00 0.00 C ATOM 844 OD1 ASP A 55 -8.412 -8.066 -4.813 1.00 0.00 O ATOM 845 OD2 ASP A 55 -8.584 -8.324 -7.019 1.00 0.00 O ATOM 0 H ASP A 55 -7.484 -3.814 -5.632 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.550 -6.239 -4.602 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.799 -5.561 -5.773 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.967 -5.969 -7.261 1.00 0.00 H new ATOM 850 N ARG A 56 -5.148 -5.161 -7.339 1.00 0.00 N ATOM 851 CA ARG A 56 -4.089 -5.385 -8.308 1.00 0.00 C ATOM 852 C ARG A 56 -2.778 -4.768 -7.813 1.00 0.00 C ATOM 853 O ARG A 56 -1.819 -4.648 -8.574 1.00 0.00 O ATOM 854 CB ARG A 56 -4.448 -4.780 -9.666 1.00 0.00 C ATOM 855 CG ARG A 56 -5.820 -5.266 -10.137 1.00 0.00 C ATOM 856 CD ARG A 56 -5.691 -6.524 -10.998 1.00 0.00 C ATOM 857 NE ARG A 56 -6.581 -6.426 -12.176 1.00 0.00 N ATOM 858 CZ ARG A 56 -7.903 -6.645 -12.139 1.00 0.00 C ATOM 859 NH1 ARG A 56 -8.495 -6.977 -10.984 1.00 0.00 N ATOM 860 NH2 ARG A 56 -8.632 -6.533 -13.257 1.00 0.00 N ATOM 0 H ARG A 56 -5.536 -4.218 -7.342 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.968 -6.462 -8.424 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.448 -3.692 -9.595 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.690 -5.051 -10.401 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.452 -5.475 -9.274 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.312 -4.479 -10.708 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.658 -6.648 -11.322 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.949 -7.405 -10.410 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.163 -6.176 -13.072 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.940 -7.063 -10.133 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.501 -7.144 -10.956 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.181 -6.281 -14.137 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.638 -6.700 -13.229 1.00 0.00 H new ATOM 874 N LEU A 57 -2.780 -4.394 -6.542 1.00 0.00 N ATOM 875 CA LEU A 57 -1.603 -3.793 -5.938 1.00 0.00 C ATOM 876 C LEU A 57 -0.853 -4.854 -5.130 1.00 0.00 C ATOM 877 O LEU A 57 -1.470 -5.704 -4.491 1.00 0.00 O ATOM 878 CB LEU A 57 -1.991 -2.559 -5.121 1.00 0.00 C ATOM 879 CG LEU A 57 -2.407 -1.326 -5.926 1.00 0.00 C ATOM 880 CD1 LEU A 57 -2.912 -0.214 -5.005 1.00 0.00 C ATOM 881 CD2 LEU A 57 -1.267 -0.849 -6.828 1.00 0.00 C ATOM 0 H LEU A 57 -3.577 -4.495 -5.914 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.920 -3.435 -6.708 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.813 -2.830 -4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.147 -2.287 -4.487 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.236 -1.607 -6.576 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.201 0.650 -5.603 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.775 -0.571 -4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.121 0.072 -4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.589 0.028 -7.389 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.403 -0.591 -6.216 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.996 -1.644 -7.523 1.00 0.00 H new ATOM 893 N VAL A 58 0.468 -4.768 -5.185 1.00 0.00 N ATOM 894 CA VAL A 58 1.310 -5.710 -4.466 1.00 0.00 C ATOM 895 C VAL A 58 2.356 -4.939 -3.658 1.00 0.00 C ATOM 896 O VAL A 58 3.089 -4.119 -4.208 1.00 0.00 O ATOM 897 CB VAL A 58 1.928 -6.711 -5.444 1.00 0.00 C ATOM 898 CG1 VAL A 58 2.765 -7.756 -4.703 1.00 0.00 C ATOM 899 CG2 VAL A 58 0.850 -7.379 -6.300 1.00 0.00 C ATOM 0 H VAL A 58 0.976 -4.061 -5.716 1.00 0.00 H new ATOM 0 HA VAL A 58 0.717 -6.290 -3.759 1.00 0.00 H new ATOM 0 HB VAL A 58 2.592 -6.161 -6.111 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.193 -8.455 -5.421 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.568 -7.259 -4.158 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.131 -8.299 -4.001 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.316 -8.086 -6.986 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.149 -7.909 -5.655 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.315 -6.619 -6.870 1.00 0.00 H new ATOM 909 N LEU A 59 2.392 -5.230 -2.366 1.00 0.00 N ATOM 910 CA LEU A 59 3.336 -4.575 -1.478 1.00 0.00 C ATOM 911 C LEU A 59 4.688 -5.286 -1.563 1.00 0.00 C ATOM 912 O LEU A 59 4.765 -6.502 -1.397 1.00 0.00 O ATOM 913 CB LEU A 59 2.770 -4.497 -0.058 1.00 0.00 C ATOM 914 CG LEU A 59 2.700 -3.100 0.561 1.00 0.00 C ATOM 915 CD1 LEU A 59 4.093 -2.601 0.950 1.00 0.00 C ATOM 916 CD2 LEU A 59 1.981 -2.123 -0.373 1.00 0.00 C ATOM 0 H LEU A 59 1.782 -5.911 -1.913 1.00 0.00 H new ATOM 0 HA LEU A 59 3.498 -3.543 -1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.766 -4.920 -0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.378 -5.129 0.589 1.00 0.00 H new ATOM 0 HG LEU A 59 2.113 -3.161 1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.014 -1.606 1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.534 -3.283 1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.725 -2.558 0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.944 -1.137 0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.520 -2.060 -1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.966 -2.475 -0.557 1.00 0.00 H new ATOM 928 N ILE A 60 5.720 -4.496 -1.822 1.00 0.00 N ATOM 929 CA ILE A 60 7.065 -5.035 -1.931 1.00 0.00 C ATOM 930 C ILE A 60 8.043 -4.103 -1.213 1.00 0.00 C ATOM 931 O ILE A 60 8.348 -3.018 -1.706 1.00 0.00 O ATOM 932 CB ILE A 60 7.423 -5.290 -3.397 1.00 0.00 C ATOM 933 CG1 ILE A 60 6.446 -6.280 -4.035 1.00 0.00 C ATOM 934 CG2 ILE A 60 8.876 -5.749 -3.535 1.00 0.00 C ATOM 935 CD1 ILE A 60 5.467 -5.562 -4.965 1.00 0.00 C ATOM 0 H ILE A 60 5.652 -3.488 -1.959 1.00 0.00 H new ATOM 0 HA ILE A 60 7.128 -6.005 -1.438 1.00 0.00 H new ATOM 0 HB ILE A 60 7.330 -4.350 -3.940 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.000 -7.033 -4.596 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.894 -6.805 -3.256 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.104 -5.923 -4.587 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.540 -4.979 -3.142 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.021 -6.673 -2.975 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.784 -6.289 -5.405 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.898 -4.827 -4.396 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.021 -5.058 -5.757 1.00 0.00 H new ATOM 947 N PHE A 61 8.508 -4.560 -0.059 1.00 0.00 N ATOM 948 CA PHE A 61 9.445 -3.781 0.731 1.00 0.00 C ATOM 949 C PHE A 61 10.816 -4.459 0.783 1.00 0.00 C ATOM 950 O PHE A 61 10.960 -5.532 1.368 1.00 0.00 O ATOM 951 CB PHE A 61 8.876 -3.700 2.149 1.00 0.00 C ATOM 952 CG PHE A 61 9.922 -3.402 3.224 1.00 0.00 C ATOM 953 CD1 PHE A 61 10.294 -2.118 3.475 1.00 0.00 C ATOM 954 CD2 PHE A 61 10.482 -4.422 3.930 1.00 0.00 C ATOM 955 CE1 PHE A 61 11.265 -1.842 4.473 1.00 0.00 C ATOM 956 CE2 PHE A 61 11.453 -4.145 4.928 1.00 0.00 C ATOM 957 CZ PHE A 61 11.824 -2.861 5.179 1.00 0.00 C ATOM 0 H PHE A 61 8.253 -5.460 0.347 1.00 0.00 H new ATOM 0 HA PHE A 61 9.574 -2.794 0.287 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.110 -2.925 2.178 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.385 -4.644 2.387 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.850 -1.308 2.915 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.188 -5.442 3.731 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.560 -0.822 4.672 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.897 -4.954 5.488 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.562 -2.651 5.939 1.00 0.00 H new ATOM 967 N THR A 62 11.788 -3.806 0.163 1.00 0.00 N ATOM 968 CA THR A 62 13.142 -4.332 0.131 1.00 0.00 C ATOM 969 C THR A 62 13.278 -5.386 -0.969 1.00 0.00 C ATOM 970 O THR A 62 14.357 -5.941 -1.172 1.00 0.00 O ATOM 971 CB THR A 62 13.475 -4.864 1.527 1.00 0.00 C ATOM 972 OG1 THR A 62 14.800 -4.399 1.768 1.00 0.00 O ATOM 973 CG2 THR A 62 13.604 -6.388 1.557 1.00 0.00 C ATOM 0 H THR A 62 11.665 -2.917 -0.321 1.00 0.00 H new ATOM 0 HA THR A 62 13.864 -3.554 -0.117 1.00 0.00 H new ATOM 0 HB THR A 62 12.702 -4.551 2.229 1.00 0.00 H new ATOM 0 HG1 THR A 62 15.095 -4.698 2.653 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.841 -6.713 2.570 1.00 0.00 H new ATOM 0 HG22 THR A 62 12.663 -6.839 1.242 1.00 0.00 H new ATOM 0 HG23 THR A 62 14.400 -6.699 0.881 1.00 0.00 H new ATOM 981 N GLY A 63 12.168 -5.631 -1.651 1.00 0.00 N ATOM 982 CA GLY A 63 12.151 -6.609 -2.725 1.00 0.00 C ATOM 983 C GLY A 63 11.329 -7.839 -2.334 1.00 0.00 C ATOM 984 O GLY A 63 11.039 -8.689 -3.174 1.00 0.00 O ATOM 0 H GLY A 63 11.275 -5.169 -1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 63 11.732 -6.159 -3.625 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.171 -6.910 -2.964 1.00 0.00 H new ATOM 988 N LYS A 64 10.978 -7.895 -1.058 1.00 0.00 N ATOM 989 CA LYS A 64 10.196 -9.007 -0.545 1.00 0.00 C ATOM 990 C LYS A 64 8.714 -8.627 -0.549 1.00 0.00 C ATOM 991 O LYS A 64 8.331 -7.599 0.009 1.00 0.00 O ATOM 992 CB LYS A 64 10.716 -9.439 0.828 1.00 0.00 C ATOM 993 CG LYS A 64 11.915 -10.378 0.688 1.00 0.00 C ATOM 994 CD LYS A 64 11.460 -11.813 0.413 1.00 0.00 C ATOM 995 CE LYS A 64 12.401 -12.507 -0.574 1.00 0.00 C ATOM 996 NZ LYS A 64 11.991 -13.915 -0.778 1.00 0.00 N ATOM 0 H LYS A 64 11.221 -7.188 -0.364 1.00 0.00 H new ATOM 0 HA LYS A 64 10.304 -9.879 -1.190 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.003 -8.560 1.405 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.921 -9.938 1.382 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.557 -10.035 -0.123 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.511 -10.350 1.600 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.429 -12.374 1.347 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.447 -11.806 0.012 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.393 -11.978 -1.527 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.423 -12.471 -0.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.640 -14.372 -1.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.022 -14.421 0.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.023 -13.943 -1.157 1.00 0.00 H new ATOM 1010 N ILE A 65 7.920 -9.476 -1.185 1.00 0.00 N ATOM 1011 CA ILE A 65 6.488 -9.242 -1.269 1.00 0.00 C ATOM 1012 C ILE A 65 5.855 -9.481 0.103 1.00 0.00 C ATOM 1013 O ILE A 65 6.140 -10.483 0.757 1.00 0.00 O ATOM 1014 CB ILE A 65 5.872 -10.088 -2.386 1.00 0.00 C ATOM 1015 CG1 ILE A 65 6.399 -9.656 -3.755 1.00 0.00 C ATOM 1016 CG2 ILE A 65 4.344 -10.051 -2.322 1.00 0.00 C ATOM 1017 CD1 ILE A 65 7.167 -10.794 -4.431 1.00 0.00 C ATOM 0 H ILE A 65 8.241 -10.327 -1.647 1.00 0.00 H new ATOM 0 HA ILE A 65 6.286 -8.205 -1.537 1.00 0.00 H new ATOM 0 HB ILE A 65 6.176 -11.124 -2.237 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.567 -9.348 -4.388 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.051 -8.790 -3.641 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.931 -10.660 -3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.010 -10.444 -1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.000 -9.023 -2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.531 -10.460 -5.403 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.012 -11.084 -3.807 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.505 -11.650 -4.566 1.00 0.00 H new ATOM 1029 N LEU A 66 5.008 -8.542 0.500 1.00 0.00 N ATOM 1030 CA LEU A 66 4.332 -8.637 1.783 1.00 0.00 C ATOM 1031 C LEU A 66 2.960 -9.283 1.584 1.00 0.00 C ATOM 1032 O LEU A 66 2.654 -9.779 0.501 1.00 0.00 O ATOM 1033 CB LEU A 66 4.275 -7.267 2.461 1.00 0.00 C ATOM 1034 CG LEU A 66 5.549 -6.424 2.377 1.00 0.00 C ATOM 1035 CD1 LEU A 66 5.255 -4.955 2.689 1.00 0.00 C ATOM 1036 CD2 LEU A 66 6.645 -6.993 3.281 1.00 0.00 C ATOM 0 H LEU A 66 4.775 -7.712 -0.044 1.00 0.00 H new ATOM 0 HA LEU A 66 4.892 -9.280 2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.457 -6.698 2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.029 -7.414 3.513 1.00 0.00 H new ATOM 0 HG LEU A 66 5.921 -6.469 1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.177 -4.377 2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.532 -4.568 1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.846 -4.872 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.539 -6.375 3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.298 -6.999 4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.880 -8.011 2.972 1.00 0.00 H new ATOM 1048 N ARG A 67 2.169 -9.256 2.648 1.00 0.00 N ATOM 1049 CA ARG A 67 0.836 -9.833 2.604 1.00 0.00 C ATOM 1050 C ARG A 67 -0.153 -8.939 3.354 1.00 0.00 C ATOM 1051 O ARG A 67 0.130 -8.487 4.462 1.00 0.00 O ATOM 1052 CB ARG A 67 0.821 -11.232 3.223 1.00 0.00 C ATOM 1053 CG ARG A 67 1.229 -12.290 2.197 1.00 0.00 C ATOM 1054 CD ARG A 67 0.120 -12.512 1.167 1.00 0.00 C ATOM 1055 NE ARG A 67 0.428 -13.700 0.339 1.00 0.00 N ATOM 1056 CZ ARG A 67 -0.104 -13.932 -0.868 1.00 0.00 C ATOM 1057 NH1 ARG A 67 -0.973 -13.060 -1.397 1.00 0.00 N ATOM 1058 NH2 ARG A 67 0.234 -15.037 -1.548 1.00 0.00 N ATOM 0 H ARG A 67 2.426 -8.844 3.545 1.00 0.00 H new ATOM 0 HA ARG A 67 0.541 -9.909 1.557 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.501 -11.264 4.074 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.176 -11.455 3.603 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.143 -11.978 1.691 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.451 -13.228 2.706 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.836 -12.649 1.673 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.021 -11.632 0.532 1.00 0.00 H new ATOM 0 HE ARG A 67 1.086 -14.384 0.711 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.230 -12.219 -0.880 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.378 -13.237 -2.316 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.896 -15.701 -1.146 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.171 -15.214 -2.467 1.00 0.00 H new ATOM 1072 N ASP A 68 -1.294 -8.712 2.720 1.00 0.00 N ATOM 1073 CA ASP A 68 -2.327 -7.880 3.314 1.00 0.00 C ATOM 1074 C ASP A 68 -2.488 -8.250 4.790 1.00 0.00 C ATOM 1075 O ASP A 68 -2.858 -7.409 5.608 1.00 0.00 O ATOM 1076 CB ASP A 68 -3.675 -8.098 2.623 1.00 0.00 C ATOM 1077 CG ASP A 68 -3.839 -9.458 1.940 1.00 0.00 C ATOM 1078 OD1 ASP A 68 -3.242 -9.623 0.854 1.00 0.00 O ATOM 1079 OD2 ASP A 68 -4.557 -10.301 2.519 1.00 0.00 O ATOM 0 H ASP A 68 -1.526 -9.090 1.801 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.027 -6.838 3.200 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.468 -7.981 3.362 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.815 -7.315 1.878 1.00 0.00 H new ATOM 1084 N GLN A 69 -2.201 -9.509 5.086 1.00 0.00 N ATOM 1085 CA GLN A 69 -2.308 -10.000 6.450 1.00 0.00 C ATOM 1086 C GLN A 69 -0.973 -9.840 7.179 1.00 0.00 C ATOM 1087 O GLN A 69 -0.582 -10.703 7.962 1.00 0.00 O ATOM 1088 CB GLN A 69 -2.774 -11.458 6.472 1.00 0.00 C ATOM 1089 CG GLN A 69 -1.822 -12.349 5.672 1.00 0.00 C ATOM 1090 CD GLN A 69 -2.022 -13.824 6.029 1.00 0.00 C ATOM 1091 OE1 GLN A 69 -2.748 -14.175 6.944 1.00 0.00 O ATOM 1092 NE2 GLN A 69 -1.338 -14.664 5.257 1.00 0.00 N ATOM 0 H GLN A 69 -1.895 -10.204 4.405 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.057 -9.405 6.972 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.829 -11.811 7.502 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.779 -11.529 6.057 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.992 -12.203 4.605 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.791 -12.059 5.873 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.748 -14.302 4.508 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.403 -15.670 5.414 1.00 0.00 H new ATOM 1101 N ASP A 70 -0.310 -8.728 6.895 1.00 0.00 N ATOM 1102 CA ASP A 70 0.973 -8.443 7.514 1.00 0.00 C ATOM 1103 C ASP A 70 1.077 -6.943 7.796 1.00 0.00 C ATOM 1104 O ASP A 70 0.680 -6.123 6.969 1.00 0.00 O ATOM 1105 CB ASP A 70 2.129 -8.831 6.590 1.00 0.00 C ATOM 1106 CG ASP A 70 2.267 -10.331 6.323 1.00 0.00 C ATOM 1107 OD1 ASP A 70 1.209 -10.992 6.232 1.00 0.00 O ATOM 1108 OD2 ASP A 70 3.427 -10.784 6.215 1.00 0.00 O ATOM 0 H ASP A 70 -0.638 -8.014 6.244 1.00 0.00 H new ATOM 0 HA ASP A 70 1.038 -9.021 8.436 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.001 -8.318 5.637 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.060 -8.467 7.025 1.00 0.00 H new ATOM 1113 N ILE A 71 1.611 -6.629 8.967 1.00 0.00 N ATOM 1114 CA ILE A 71 1.772 -5.241 9.368 1.00 0.00 C ATOM 1115 C ILE A 71 3.129 -4.728 8.881 1.00 0.00 C ATOM 1116 O ILE A 71 4.124 -5.449 8.932 1.00 0.00 O ATOM 1117 CB ILE A 71 1.564 -5.092 10.876 1.00 0.00 C ATOM 1118 CG1 ILE A 71 0.091 -5.280 11.248 1.00 0.00 C ATOM 1119 CG2 ILE A 71 2.115 -3.756 11.377 1.00 0.00 C ATOM 1120 CD1 ILE A 71 -0.428 -6.635 10.763 1.00 0.00 C ATOM 0 H ILE A 71 1.938 -7.311 9.651 1.00 0.00 H new ATOM 0 HA ILE A 71 1.009 -4.618 8.901 1.00 0.00 H new ATOM 0 HB ILE A 71 2.126 -5.880 11.377 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.027 -5.207 12.329 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.504 -4.480 10.808 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.954 -3.676 12.452 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.183 -3.700 11.165 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.602 -2.938 10.872 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.477 -6.743 11.040 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.331 -6.695 9.679 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.153 -7.433 11.224 1.00 0.00 H new ATOM 1132 N LEU A 72 3.125 -3.486 8.420 1.00 0.00 N ATOM 1133 CA LEU A 72 4.342 -2.868 7.924 1.00 0.00 C ATOM 1134 C LEU A 72 5.471 -3.094 8.932 1.00 0.00 C ATOM 1135 O LEU A 72 6.392 -3.867 8.675 1.00 0.00 O ATOM 1136 CB LEU A 72 4.099 -1.394 7.594 1.00 0.00 C ATOM 1137 CG LEU A 72 2.903 -1.098 6.687 1.00 0.00 C ATOM 1138 CD1 LEU A 72 2.673 0.409 6.557 1.00 0.00 C ATOM 1139 CD2 LEU A 72 3.070 -1.772 5.323 1.00 0.00 C ATOM 0 H LEU A 72 2.298 -2.891 8.380 1.00 0.00 H new ATOM 0 HA LEU A 72 4.651 -3.334 6.988 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.964 -0.850 8.529 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.996 -0.996 7.120 1.00 0.00 H new ATOM 0 HG LEU A 72 2.011 -1.521 7.149 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.817 0.592 5.907 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.478 0.834 7.542 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.560 0.877 6.129 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.207 -1.546 4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.974 -1.400 4.842 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.148 -2.851 5.457 1.00 0.00 H new ATOM 1151 N SER A 73 5.362 -2.405 10.059 1.00 0.00 N ATOM 1152 CA SER A 73 6.362 -2.521 11.107 1.00 0.00 C ATOM 1153 C SER A 73 6.722 -3.992 11.326 1.00 0.00 C ATOM 1154 O SER A 73 7.899 -4.348 11.360 1.00 0.00 O ATOM 1155 CB SER A 73 5.866 -1.897 12.413 1.00 0.00 C ATOM 1156 OG SER A 73 6.943 -1.472 13.244 1.00 0.00 O ATOM 0 H SER A 73 4.596 -1.765 10.269 1.00 0.00 H new ATOM 0 HA SER A 73 7.253 -1.978 10.791 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.224 -1.045 12.187 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.256 -2.622 12.952 1.00 0.00 H new ATOM 0 HG SER A 73 6.585 -1.078 14.067 1.00 0.00 H new ATOM 1162 N GLN A 74 5.687 -4.807 11.467 1.00 0.00 N ATOM 1163 CA GLN A 74 5.880 -6.231 11.682 1.00 0.00 C ATOM 1164 C GLN A 74 6.860 -6.795 10.650 1.00 0.00 C ATOM 1165 O GLN A 74 7.762 -7.557 10.997 1.00 0.00 O ATOM 1166 CB GLN A 74 4.546 -6.978 11.636 1.00 0.00 C ATOM 1167 CG GLN A 74 3.828 -6.901 12.985 1.00 0.00 C ATOM 1168 CD GLN A 74 2.931 -8.122 13.200 1.00 0.00 C ATOM 1169 OE1 GLN A 74 3.389 -9.245 13.333 1.00 0.00 O ATOM 1170 NE2 GLN A 74 1.631 -7.840 13.226 1.00 0.00 N ATOM 0 H GLN A 74 4.712 -4.508 11.437 1.00 0.00 H new ATOM 0 HA GLN A 74 6.305 -6.375 12.675 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.913 -6.551 10.858 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.718 -8.021 11.371 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.562 -6.839 13.788 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.228 -5.992 13.030 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.316 -6.877 13.108 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.950 -8.587 13.364 1.00 0.00 H new ATOM 1179 N ARG A 75 6.649 -6.400 9.403 1.00 0.00 N ATOM 1180 CA ARG A 75 7.502 -6.856 8.320 1.00 0.00 C ATOM 1181 C ARG A 75 8.898 -6.242 8.448 1.00 0.00 C ATOM 1182 O ARG A 75 9.902 -6.933 8.279 1.00 0.00 O ATOM 1183 CB ARG A 75 6.911 -6.483 6.959 1.00 0.00 C ATOM 1184 CG ARG A 75 5.737 -7.397 6.601 1.00 0.00 C ATOM 1185 CD ARG A 75 6.224 -8.805 6.255 1.00 0.00 C ATOM 1186 NE ARG A 75 5.304 -9.434 5.281 1.00 0.00 N ATOM 1187 CZ ARG A 75 5.539 -10.604 4.673 1.00 0.00 C ATOM 1188 NH1 ARG A 75 6.665 -11.281 4.934 1.00 0.00 N ATOM 1189 NH2 ARG A 75 4.647 -11.098 3.803 1.00 0.00 N ATOM 0 H ARG A 75 5.899 -5.769 9.119 1.00 0.00 H new ATOM 0 HA ARG A 75 7.572 -7.942 8.388 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.577 -5.446 6.976 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.681 -6.557 6.191 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.040 -7.445 7.438 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.191 -6.979 5.755 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.231 -8.759 5.839 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.280 -9.412 7.159 1.00 0.00 H new ATOM 0 HE ARG A 75 4.436 -8.946 5.059 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.344 -10.906 5.596 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.843 -12.172 4.471 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.789 -10.583 3.604 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.826 -11.989 3.340 1.00 0.00 H new ATOM 1203 N GLY A 76 8.916 -4.951 8.745 1.00 0.00 N ATOM 1204 CA GLY A 76 10.172 -4.236 8.897 1.00 0.00 C ATOM 1205 C GLY A 76 10.010 -2.760 8.530 1.00 0.00 C ATOM 1206 O GLY A 76 10.724 -1.905 9.052 1.00 0.00 O ATOM 0 H GLY A 76 8.081 -4.382 8.884 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.522 -4.322 9.926 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.933 -4.691 8.263 1.00 0.00 H new ATOM 1210 N ILE A 77 9.068 -2.506 7.634 1.00 0.00 N ATOM 1211 CA ILE A 77 8.804 -1.147 7.190 1.00 0.00 C ATOM 1212 C ILE A 77 8.762 -0.218 8.405 1.00 0.00 C ATOM 1213 O ILE A 77 7.859 -0.317 9.235 1.00 0.00 O ATOM 1214 CB ILE A 77 7.536 -1.100 6.335 1.00 0.00 C ATOM 1215 CG1 ILE A 77 7.803 -1.638 4.928 1.00 0.00 C ATOM 1216 CG2 ILE A 77 6.946 0.311 6.307 1.00 0.00 C ATOM 1217 CD1 ILE A 77 6.511 -2.134 4.276 1.00 0.00 C ATOM 0 H ILE A 77 8.478 -3.218 7.203 1.00 0.00 H new ATOM 0 HA ILE A 77 9.608 -0.793 6.545 1.00 0.00 H new ATOM 0 HB ILE A 77 6.791 -1.751 6.792 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.247 -0.855 4.314 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.526 -2.453 4.977 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.046 0.317 5.693 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.695 0.621 7.322 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.676 1.003 5.887 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.729 -2.511 3.277 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.082 -2.934 4.880 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.800 -1.311 4.206 1.00 0.00 H new ATOM 1229 N LEU A 78 9.749 0.663 8.471 1.00 0.00 N ATOM 1230 CA LEU A 78 9.836 1.609 9.570 1.00 0.00 C ATOM 1231 C LEU A 78 9.706 3.032 9.024 1.00 0.00 C ATOM 1232 O LEU A 78 9.322 3.226 7.872 1.00 0.00 O ATOM 1233 CB LEU A 78 11.113 1.375 10.379 1.00 0.00 C ATOM 1234 CG LEU A 78 10.927 1.185 11.886 1.00 0.00 C ATOM 1235 CD1 LEU A 78 9.924 0.067 12.178 1.00 0.00 C ATOM 1236 CD2 LEU A 78 12.270 0.945 12.578 1.00 0.00 C ATOM 0 H LEU A 78 10.496 0.742 7.781 1.00 0.00 H new ATOM 0 HA LEU A 78 9.012 1.458 10.268 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.615 0.493 9.981 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.781 2.221 10.219 1.00 0.00 H new ATOM 0 HG LEU A 78 10.512 2.105 12.298 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.810 -0.047 13.256 1.00 0.00 H new ATOM 0 HD12 LEU A 78 8.960 0.319 11.736 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.286 -0.868 11.750 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.110 0.813 13.648 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.736 0.049 12.168 1.00 0.00 H new ATOM 0 HD23 LEU A 78 12.923 1.802 12.412 1.00 0.00 H new ATOM 1248 N ASP A 79 10.035 3.992 9.877 1.00 0.00 N ATOM 1249 CA ASP A 79 9.961 5.391 9.494 1.00 0.00 C ATOM 1250 C ASP A 79 11.095 5.710 8.518 1.00 0.00 C ATOM 1251 O ASP A 79 12.269 5.551 8.851 1.00 0.00 O ATOM 1252 CB ASP A 79 10.115 6.304 10.712 1.00 0.00 C ATOM 1253 CG ASP A 79 10.607 7.719 10.401 1.00 0.00 C ATOM 1254 OD1 ASP A 79 9.959 8.373 9.556 1.00 0.00 O ATOM 1255 OD2 ASP A 79 11.621 8.115 11.016 1.00 0.00 O ATOM 0 H ASP A 79 10.353 3.828 10.832 1.00 0.00 H new ATOM 0 HA ASP A 79 8.988 5.563 9.034 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.153 6.373 11.219 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.811 5.839 11.410 1.00 0.00 H new ATOM 1260 N GLY A 80 10.705 6.153 7.332 1.00 0.00 N ATOM 1261 CA GLY A 80 11.675 6.495 6.305 1.00 0.00 C ATOM 1262 C GLY A 80 12.124 5.250 5.538 1.00 0.00 C ATOM 1263 O GLY A 80 13.320 5.000 5.398 1.00 0.00 O ATOM 0 H GLY A 80 9.731 6.283 7.059 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.238 7.215 5.613 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.540 6.976 6.762 1.00 0.00 H new ATOM 1267 N SER A 81 11.140 4.502 5.060 1.00 0.00 N ATOM 1268 CA SER A 81 11.418 3.289 4.311 1.00 0.00 C ATOM 1269 C SER A 81 10.930 3.441 2.868 1.00 0.00 C ATOM 1270 O SER A 81 10.056 4.260 2.589 1.00 0.00 O ATOM 1271 CB SER A 81 10.762 2.073 4.967 1.00 0.00 C ATOM 1272 OG SER A 81 11.056 1.994 6.359 1.00 0.00 O ATOM 0 H SER A 81 10.149 4.713 5.177 1.00 0.00 H new ATOM 0 HA SER A 81 12.496 3.129 4.309 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.682 2.124 4.827 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.105 1.165 4.472 1.00 0.00 H new ATOM 0 HG SER A 81 10.638 2.748 6.825 1.00 0.00 H new ATOM 1278 N THR A 82 11.517 2.640 1.991 1.00 0.00 N ATOM 1279 CA THR A 82 11.153 2.676 0.585 1.00 0.00 C ATOM 1280 C THR A 82 10.409 1.398 0.194 1.00 0.00 C ATOM 1281 O THR A 82 10.935 0.297 0.348 1.00 0.00 O ATOM 1282 CB THR A 82 12.428 2.909 -0.228 1.00 0.00 C ATOM 1283 OG1 THR A 82 12.919 4.159 0.247 1.00 0.00 O ATOM 1284 CG2 THR A 82 12.141 3.159 -1.709 1.00 0.00 C ATOM 0 H THR A 82 12.242 1.962 2.227 1.00 0.00 H new ATOM 0 HA THR A 82 10.463 3.494 0.376 1.00 0.00 H new ATOM 0 HB THR A 82 13.085 2.045 -0.127 1.00 0.00 H new ATOM 0 HG1 THR A 82 12.301 4.874 -0.014 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.080 3.318 -2.240 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.628 2.295 -2.131 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.511 4.042 -1.813 1.00 0.00 H new ATOM 1292 N VAL A 83 9.195 1.586 -0.303 1.00 0.00 N ATOM 1293 CA VAL A 83 8.373 0.462 -0.717 1.00 0.00 C ATOM 1294 C VAL A 83 8.038 0.600 -2.203 1.00 0.00 C ATOM 1295 O VAL A 83 7.628 1.669 -2.654 1.00 0.00 O ATOM 1296 CB VAL A 83 7.129 0.369 0.170 1.00 0.00 C ATOM 1297 CG1 VAL A 83 6.395 -0.955 -0.053 1.00 0.00 C ATOM 1298 CG2 VAL A 83 7.492 0.553 1.645 1.00 0.00 C ATOM 0 H VAL A 83 8.761 2.501 -0.428 1.00 0.00 H new ATOM 0 HA VAL A 83 8.916 -0.475 -0.592 1.00 0.00 H new ATOM 0 HB VAL A 83 6.455 1.178 -0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.515 -0.996 0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.087 -1.029 -1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.059 -1.785 0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.590 0.482 2.253 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.195 -0.224 1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.950 1.532 1.788 1.00 0.00 H new ATOM 1308 N HIS A 84 8.226 -0.496 -2.924 1.00 0.00 N ATOM 1309 CA HIS A 84 7.949 -0.510 -4.350 1.00 0.00 C ATOM 1310 C HIS A 84 6.472 -0.836 -4.583 1.00 0.00 C ATOM 1311 O HIS A 84 5.954 -1.809 -4.037 1.00 0.00 O ATOM 1312 CB HIS A 84 8.890 -1.473 -5.077 1.00 0.00 C ATOM 1313 CG HIS A 84 10.312 -0.976 -5.187 1.00 0.00 C ATOM 1314 ND1 HIS A 84 10.740 -0.150 -6.212 1.00 0.00 N ATOM 1315 CD2 HIS A 84 11.397 -1.194 -4.390 1.00 0.00 C ATOM 1316 CE1 HIS A 84 12.026 0.109 -6.031 1.00 0.00 C ATOM 1317 NE2 HIS A 84 12.432 -0.540 -4.902 1.00 0.00 N ATOM 0 H HIS A 84 8.567 -1.380 -2.547 1.00 0.00 H new ATOM 0 HA HIS A 84 8.138 0.478 -4.770 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.890 -2.429 -4.554 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.502 -1.657 -6.079 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.411 -1.797 -3.494 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.645 0.726 -6.666 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.376 -0.525 -4.515 1.00 0.00 H new ATOM 1325 N VAL A 85 5.836 -0.004 -5.394 1.00 0.00 N ATOM 1326 CA VAL A 85 4.430 -0.192 -5.706 1.00 0.00 C ATOM 1327 C VAL A 85 4.301 -0.912 -7.050 1.00 0.00 C ATOM 1328 O VAL A 85 5.161 -0.772 -7.918 1.00 0.00 O ATOM 1329 CB VAL A 85 3.703 1.155 -5.678 1.00 0.00 C ATOM 1330 CG1 VAL A 85 4.037 1.984 -6.920 1.00 0.00 C ATOM 1331 CG2 VAL A 85 2.192 0.960 -5.539 1.00 0.00 C ATOM 0 H VAL A 85 6.269 0.802 -5.845 1.00 0.00 H new ATOM 0 HA VAL A 85 3.953 -0.820 -4.954 1.00 0.00 H new ATOM 0 HB VAL A 85 4.051 1.705 -4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.508 2.936 -6.875 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.111 2.167 -6.957 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.731 1.440 -7.814 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.700 1.932 -5.522 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.821 0.380 -6.384 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.978 0.428 -4.612 1.00 0.00 H new ATOM 1341 N VAL A 86 3.221 -1.669 -7.178 1.00 0.00 N ATOM 1342 CA VAL A 86 2.969 -2.412 -8.401 1.00 0.00 C ATOM 1343 C VAL A 86 1.467 -2.410 -8.694 1.00 0.00 C ATOM 1344 O VAL A 86 0.652 -2.386 -7.773 1.00 0.00 O ATOM 1345 CB VAL A 86 3.555 -3.821 -8.287 1.00 0.00 C ATOM 1346 CG1 VAL A 86 2.930 -4.759 -9.322 1.00 0.00 C ATOM 1347 CG2 VAL A 86 5.078 -3.794 -8.420 1.00 0.00 C ATOM 0 H VAL A 86 2.511 -1.784 -6.455 1.00 0.00 H new ATOM 0 HA VAL A 86 3.465 -1.936 -9.247 1.00 0.00 H new ATOM 0 HB VAL A 86 3.313 -4.206 -7.296 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.363 -5.754 -9.220 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.853 -4.814 -9.160 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.127 -4.378 -10.324 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.469 -4.808 -8.335 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.351 -3.380 -9.391 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.501 -3.175 -7.629 1.00 0.00 H new ATOM 1357 N VAL A 87 1.147 -2.437 -9.979 1.00 0.00 N ATOM 1358 CA VAL A 87 -0.242 -2.439 -10.404 1.00 0.00 C ATOM 1359 C VAL A 87 -0.487 -3.634 -11.328 1.00 0.00 C ATOM 1360 O VAL A 87 -0.742 -3.461 -12.518 1.00 0.00 O ATOM 1361 CB VAL A 87 -0.592 -1.099 -11.055 1.00 0.00 C ATOM 1362 CG1 VAL A 87 -2.089 -1.013 -11.362 1.00 0.00 C ATOM 1363 CG2 VAL A 87 -0.145 0.071 -10.176 1.00 0.00 C ATOM 0 H VAL A 87 1.826 -2.458 -10.740 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.904 -2.551 -9.545 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.052 -1.034 -11.999 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.311 -0.051 -11.824 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.367 -1.816 -12.044 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.656 -1.110 -10.436 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.406 1.011 -10.662 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.645 0.011 -9.209 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.934 0.025 -10.030 1.00 0.00 H new ATOM 1373 N ARG A 88 -0.401 -4.820 -10.743 1.00 0.00 N ATOM 1374 CA ARG A 88 -0.610 -6.043 -11.499 1.00 0.00 C ATOM 1375 C ARG A 88 -1.791 -5.880 -12.458 1.00 0.00 C ATOM 1376 O ARG A 88 -2.597 -4.964 -12.305 1.00 0.00 O ATOM 1377 CB ARG A 88 -0.878 -7.227 -10.567 1.00 0.00 C ATOM 1378 CG ARG A 88 0.431 -7.888 -10.129 1.00 0.00 C ATOM 1379 CD ARG A 88 0.213 -8.777 -8.903 1.00 0.00 C ATOM 1380 NE ARG A 88 -0.085 -10.163 -9.331 1.00 0.00 N ATOM 1381 CZ ARG A 88 0.841 -11.034 -9.753 1.00 0.00 C ATOM 1382 NH1 ARG A 88 2.130 -10.669 -9.807 1.00 0.00 N ATOM 1383 NH2 ARG A 88 0.480 -12.271 -10.121 1.00 0.00 N ATOM 0 H ARG A 88 -0.190 -4.960 -9.755 1.00 0.00 H new ATOM 0 HA ARG A 88 0.299 -6.241 -12.068 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.429 -6.887 -9.690 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.507 -7.959 -11.074 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.833 -8.484 -10.948 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.171 -7.121 -9.900 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.102 -8.765 -8.272 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.609 -8.388 -8.303 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.056 -10.474 -9.303 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.406 -9.728 -9.527 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.835 -11.333 -10.128 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.500 -12.550 -10.080 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.186 -12.934 -10.442 1.00 0.00 H new ATOM 1397 N SER A 89 -1.856 -6.783 -13.425 1.00 0.00 N ATOM 1398 CA SER A 89 -2.925 -6.751 -14.408 1.00 0.00 C ATOM 1399 C SER A 89 -2.740 -7.885 -15.419 1.00 0.00 C ATOM 1400 O SER A 89 -1.618 -8.318 -15.673 1.00 0.00 O ATOM 1401 CB SER A 89 -2.971 -5.401 -15.127 1.00 0.00 C ATOM 1402 OG SER A 89 -4.307 -4.988 -15.401 1.00 0.00 O ATOM 0 H SER A 89 -1.185 -7.542 -13.549 1.00 0.00 H new ATOM 0 HA SER A 89 -3.873 -6.888 -13.888 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.477 -4.647 -14.515 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.413 -5.468 -16.061 1.00 0.00 H new ATOM 0 HG SER A 89 -4.294 -4.122 -15.859 1.00 0.00 H new ATOM 1408 N HIS A 90 -3.860 -8.332 -15.969 1.00 0.00 N ATOM 1409 CA HIS A 90 -3.836 -9.407 -16.946 1.00 0.00 C ATOM 1410 C HIS A 90 -3.184 -8.911 -18.238 1.00 0.00 C ATOM 1411 O HIS A 90 -3.655 -7.951 -18.847 1.00 0.00 O ATOM 1412 CB HIS A 90 -5.241 -9.970 -17.169 1.00 0.00 C ATOM 1413 CG HIS A 90 -5.416 -10.678 -18.491 1.00 0.00 C ATOM 1414 ND1 HIS A 90 -5.515 -10.003 -19.695 1.00 0.00 N ATOM 1415 CD2 HIS A 90 -5.509 -12.006 -18.786 1.00 0.00 C ATOM 1416 CE1 HIS A 90 -5.661 -10.895 -20.664 1.00 0.00 C ATOM 1417 NE2 HIS A 90 -5.657 -12.136 -20.099 1.00 0.00 N ATOM 0 H HIS A 90 -4.789 -7.969 -15.756 1.00 0.00 H new ATOM 0 HA HIS A 90 -3.233 -10.233 -16.569 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -5.475 -10.665 -16.363 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -5.962 -9.155 -17.107 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -5.481 -8.991 -19.816 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -5.469 -12.815 -18.072 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -5.765 -10.677 -21.717 1.00 0.00 H new ATOM 1425 N SER A 91 -2.111 -9.588 -18.620 1.00 0.00 N ATOM 1426 CA SER A 91 -1.390 -9.229 -19.829 1.00 0.00 C ATOM 1427 C SER A 91 -1.333 -10.426 -20.780 1.00 0.00 C ATOM 1428 O SER A 91 -1.789 -10.340 -21.920 1.00 0.00 O ATOM 1429 CB SER A 91 0.024 -8.743 -19.503 1.00 0.00 C ATOM 1430 OG SER A 91 0.636 -8.097 -20.616 1.00 0.00 O ATOM 0 H SER A 91 -1.723 -10.384 -18.113 1.00 0.00 H new ATOM 0 HA SER A 91 -1.923 -8.412 -20.315 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.015 -8.053 -18.660 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.636 -9.590 -19.194 1.00 0.00 H new ATOM 0 HG SER A 91 1.536 -7.800 -20.367 1.00 0.00 H new ATOM 1436 N GLY A 92 -0.771 -11.515 -20.277 1.00 0.00 N ATOM 1437 CA GLY A 92 -0.649 -12.727 -21.068 1.00 0.00 C ATOM 1438 C GLY A 92 0.755 -12.855 -21.663 1.00 0.00 C ATOM 1439 O GLY A 92 1.709 -12.279 -21.143 1.00 0.00 O ATOM 0 H GLY A 92 -0.395 -11.583 -19.331 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.864 -13.595 -20.445 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.388 -12.718 -21.869 1.00 0.00 H new ATOM 1443 N PRO A 93 0.839 -13.634 -22.775 1.00 0.00 N ATOM 1444 CA PRO A 93 2.110 -13.845 -23.446 1.00 0.00 C ATOM 1445 C PRO A 93 2.523 -12.605 -24.242 1.00 0.00 C ATOM 1446 O PRO A 93 1.671 -11.838 -24.689 1.00 0.00 O ATOM 1447 CB PRO A 93 1.894 -15.068 -24.323 1.00 0.00 C ATOM 1448 CG PRO A 93 0.388 -15.218 -24.465 1.00 0.00 C ATOM 1449 CD PRO A 93 -0.269 -14.332 -23.420 1.00 0.00 C ATOM 0 HA PRO A 93 2.931 -14.011 -22.748 1.00 0.00 H new ATOM 0 HB2 PRO A 93 2.367 -14.939 -25.296 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.334 -15.956 -23.870 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.068 -14.929 -25.466 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.093 -16.258 -24.324 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.966 -13.630 -23.878 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -0.837 -14.922 -22.701 1.00 0.00 H new ATOM 1457 N SER A 94 3.829 -12.446 -24.395 1.00 0.00 N ATOM 1458 CA SER A 94 4.365 -11.312 -25.129 1.00 0.00 C ATOM 1459 C SER A 94 3.595 -11.125 -26.438 1.00 0.00 C ATOM 1460 O SER A 94 3.202 -12.101 -27.076 1.00 0.00 O ATOM 1461 CB SER A 94 5.857 -11.495 -25.412 1.00 0.00 C ATOM 1462 OG SER A 94 6.668 -10.911 -24.396 1.00 0.00 O ATOM 0 H SER A 94 4.533 -13.084 -24.023 1.00 0.00 H new ATOM 0 HA SER A 94 4.246 -10.420 -24.515 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.084 -12.558 -25.490 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.101 -11.045 -26.374 1.00 0.00 H new ATOM 0 HG SER A 94 7.614 -11.050 -24.612 1.00 0.00 H new ATOM 1468 N SER A 95 3.402 -9.865 -26.799 1.00 0.00 N ATOM 1469 CA SER A 95 2.686 -9.538 -28.020 1.00 0.00 C ATOM 1470 C SER A 95 1.321 -10.229 -28.028 1.00 0.00 C ATOM 1471 O SER A 95 1.226 -11.421 -28.314 1.00 0.00 O ATOM 1472 CB SER A 95 3.492 -9.942 -29.256 1.00 0.00 C ATOM 1473 OG SER A 95 3.324 -9.019 -30.329 1.00 0.00 O ATOM 0 H SER A 95 3.729 -9.058 -26.267 1.00 0.00 H new ATOM 0 HA SER A 95 2.540 -8.458 -28.051 1.00 0.00 H new ATOM 0 HB2 SER A 95 4.548 -10.006 -28.995 1.00 0.00 H new ATOM 0 HB3 SER A 95 3.183 -10.936 -29.581 1.00 0.00 H new ATOM 0 HG SER A 95 3.856 -9.311 -31.098 1.00 0.00 H new ATOM 1479 N GLY A 96 0.297 -9.450 -27.709 1.00 0.00 N ATOM 1480 CA GLY A 96 -1.058 -9.972 -27.676 1.00 0.00 C ATOM 1481 C GLY A 96 -2.066 -8.909 -28.118 1.00 0.00 C ATOM 1482 O GLY A 96 -3.274 -9.100 -27.984 1.00 0.00 O ATOM 0 H GLY A 96 0.379 -8.462 -27.471 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.132 -10.842 -28.328 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.298 -10.308 -26.667 1.00 0.00 H new TER 1486 GLY A 96