USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 849 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 77 TYR OH : rot 165:sc= 0.625 USER MOD Set 1.2: B 129 ASN : amide:sc= 0 K(o=0.63,f=1.2) USER MOD Set 2.1: A 39 MET CE :methyl -165:sc= -0.612 (180deg=-1.53!) USER MOD Set 2.2: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 1 GLN : amide:sc= -1.18 K(o=-9.5,f=-14!) USER MOD Set 3.2: A 3 ASN : amide:sc= -8.29! C(o=-9.5!,f=-8.7!) USER MOD Single : A 1 GLN N :NH3+ -113:sc= -1.97 (180deg=-5.26!) USER MOD Single : A 4 GLN : amide:sc= -3.45! K(o=-3.4!,f=-1.5) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -7.96! C(o=-8!,f=-13!) USER MOD Single : A 21 GLN : amide:sc= -1.95! K(o=-2!,f=-0.94) USER MOD Single : A 24 MET CE :methyl 180:sc= -0.173 (180deg=-0.173) USER MOD Single : A 26 THR OG1 : rot -110:sc= -4.5! USER MOD Single : A 28 LYS NZ :NH3+ 137:sc= -4.32! (180deg=-8.1!) USER MOD Single : A 31 MET CE :methyl -137:sc= -9.95! (180deg=-11.1!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 150:sc= 1.14 USER MOD Single : A 36 GLN : amide:sc= 0.387 X(o=0.39,f=-0.0029) USER MOD Single : A 37 TYR OH : rot 0:sc= -0.0808 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.923 K(o=-0.92,f=0) USER MOD Single : A 46 GLN : amide:sc= -5! C(o=-5!,f=-1.5!) USER MOD Single : A 47 GLN : amide:sc= -2.97! C(o=-3!,f=-2.1!) USER MOD Single : A 49 GLN : amide:sc= -1.4 K(o=-1.4,f=-5.3!) USER MOD Single : A 50 HIS : no HE2:sc= -1.75 K(o=-1.7,f=-5.2!) USER MOD Single : A 51 MET CE :methyl 161:sc= -3.63! (180deg=-4.79!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot -51:sc= -5.04! USER MOD Single : A 66 GLN : amide:sc= -0.0621 X(o=-0.062,f=-0.41) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0496 USER MOD Single : A 71 LYS NZ :NH3+ 167:sc= -0.307 (180deg=-0.532) USER MOD Single : A 74 SER OG : rot 124:sc= 0.0188 USER MOD Single : A 79 MET CE :methyl -176:sc= -0.125 (180deg=-0.141) USER MOD Single : A 82 LYS NZ :NH3+ 173:sc= -1.6 (180deg=-2.07!) USER MOD Single : A 83 ASN : amide:sc= -6.56! C(o=-6.6!,f=-6.7!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : B 115 SER OG : rot 180:sc= 0 USER MOD Single : B 116 GLN : amide:sc= -0.0228 X(o=-0.023,f=0) USER MOD Single : B 118 THR OG1 : rot 180:sc= 0 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.261 1.572 2.307 1.00 0.00 N ATOM 2 CA GLN A 1 1.952 0.467 1.652 1.00 0.00 C ATOM 3 C GLN A 1 3.464 0.630 1.761 1.00 0.00 C ATOM 4 O GLN A 1 4.004 1.702 1.487 1.00 0.00 O ATOM 5 CB GLN A 1 1.540 0.381 0.182 1.00 0.00 C ATOM 6 CG GLN A 1 1.012 -0.986 -0.223 1.00 0.00 C ATOM 7 CD GLN A 1 2.071 -2.068 -0.145 1.00 0.00 C ATOM 8 OE1 GLN A 1 3.249 -1.784 0.074 1.00 0.00 O ATOM 9 NE2 GLN A 1 1.657 -3.316 -0.325 1.00 0.00 N ATOM 0 H1 GLN A 1 0.753 1.217 3.143 1.00 0.00 H new ATOM 0 H2 GLN A 1 1.954 2.289 2.602 1.00 0.00 H new ATOM 0 H3 GLN A 1 0.582 1.998 1.645 1.00 0.00 H new ATOM 0 HA GLN A 1 1.668 -0.457 2.156 1.00 0.00 H new ATOM 0 HB2 GLN A 1 0.774 1.131 -0.016 1.00 0.00 H new ATOM 0 HB3 GLN A 1 2.398 0.629 -0.442 1.00 0.00 H new ATOM 0 HG2 GLN A 1 0.176 -1.254 0.423 1.00 0.00 H new ATOM 0 HG3 GLN A 1 0.625 -0.935 -1.241 1.00 0.00 H new ATOM 0 HE21 GLN A 1 0.671 -3.505 -0.504 1.00 0.00 H new ATOM 0 HE22 GLN A 1 2.325 -4.086 -0.284 1.00 0.00 H new ATOM 18 N ILE A 2 4.142 -0.440 2.162 1.00 0.00 N ATOM 19 CA ILE A 2 5.592 -0.415 2.306 1.00 0.00 C ATOM 20 C ILE A 2 6.260 -1.355 1.307 1.00 0.00 C ATOM 21 O ILE A 2 6.044 -2.566 1.339 1.00 0.00 O ATOM 22 CB ILE A 2 6.024 -0.809 3.731 1.00 0.00 C ATOM 23 CG1 ILE A 2 5.088 -0.176 4.763 1.00 0.00 C ATOM 24 CG2 ILE A 2 7.463 -0.387 3.984 1.00 0.00 C ATOM 25 CD1 ILE A 2 5.156 1.335 4.794 1.00 0.00 C ATOM 0 H ILE A 2 3.710 -1.335 2.393 1.00 0.00 H new ATOM 0 HA ILE A 2 5.911 0.609 2.108 1.00 0.00 H new ATOM 0 HB ILE A 2 5.962 -1.893 3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.064 -0.481 4.548 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.335 -0.563 5.751 1.00 0.00 H new ATOM 0 HG21 ILE A 2 7.753 -0.672 4.995 1.00 0.00 H new ATOM 0 HG22 ILE A 2 8.118 -0.880 3.266 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.550 0.694 3.873 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.467 1.715 5.548 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.171 1.649 5.039 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.880 1.732 3.817 1.00 0.00 H new ATOM 37 N ASN A 3 7.073 -0.788 0.422 1.00 0.00 N ATOM 38 CA ASN A 3 7.775 -1.575 -0.585 1.00 0.00 C ATOM 39 C ASN A 3 9.270 -1.632 -0.288 1.00 0.00 C ATOM 40 O ASN A 3 9.743 -1.033 0.677 1.00 0.00 O ATOM 41 CB ASN A 3 7.542 -0.984 -1.977 1.00 0.00 C ATOM 42 CG ASN A 3 6.452 -1.711 -2.740 1.00 0.00 C ATOM 43 OD1 ASN A 3 6.493 -1.803 -3.967 1.00 0.00 O ATOM 44 ND2 ASN A 3 5.470 -2.233 -2.015 1.00 0.00 N ATOM 0 H ASN A 3 7.262 0.214 0.382 1.00 0.00 H new ATOM 0 HA ASN A 3 7.379 -2.590 -0.557 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.275 0.068 -1.882 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.470 -1.027 -2.547 1.00 0.00 H new ATOM 0 HD21 ASN A 3 4.709 -2.735 -2.473 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.477 -2.133 -1.000 1.00 0.00 H new ATOM 51 N GLN A 4 10.007 -2.357 -1.124 1.00 0.00 N ATOM 52 CA GLN A 4 11.448 -2.492 -0.950 1.00 0.00 C ATOM 53 C GLN A 4 12.198 -1.494 -1.827 1.00 0.00 C ATOM 54 O GLN A 4 11.591 -0.752 -2.599 1.00 0.00 O ATOM 55 CB GLN A 4 11.892 -3.917 -1.285 1.00 0.00 C ATOM 56 CG GLN A 4 10.997 -4.989 -0.685 1.00 0.00 C ATOM 57 CD GLN A 4 10.558 -4.661 0.728 1.00 0.00 C ATOM 58 OE1 GLN A 4 11.319 -4.830 1.682 1.00 0.00 O ATOM 59 NE2 GLN A 4 9.326 -4.188 0.870 1.00 0.00 N ATOM 0 H GLN A 4 9.630 -2.859 -1.928 1.00 0.00 H new ATOM 0 HA GLN A 4 11.684 -2.281 0.093 1.00 0.00 H new ATOM 0 HB2 GLN A 4 11.913 -4.037 -2.368 1.00 0.00 H new ATOM 0 HB3 GLN A 4 12.911 -4.065 -0.928 1.00 0.00 H new ATOM 0 HG2 GLN A 4 10.116 -5.115 -1.315 1.00 0.00 H new ATOM 0 HG3 GLN A 4 11.528 -5.941 -0.684 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.730 -4.064 0.052 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.975 -3.948 1.797 1.00 0.00 H new ATOM 68 N VAL A 5 13.521 -1.481 -1.701 1.00 0.00 N ATOM 69 CA VAL A 5 14.355 -0.575 -2.482 1.00 0.00 C ATOM 70 C VAL A 5 15.780 -1.103 -2.600 1.00 0.00 C ATOM 71 O VAL A 5 16.139 -2.095 -1.967 1.00 0.00 O ATOM 72 CB VAL A 5 14.390 0.833 -1.859 1.00 0.00 C ATOM 73 CG1 VAL A 5 12.984 1.302 -1.518 1.00 0.00 C ATOM 74 CG2 VAL A 5 15.279 0.846 -0.624 1.00 0.00 C ATOM 0 H VAL A 5 14.039 -2.088 -1.065 1.00 0.00 H new ATOM 0 HA VAL A 5 13.911 -0.513 -3.475 1.00 0.00 H new ATOM 0 HB VAL A 5 14.810 1.524 -2.590 1.00 0.00 H new ATOM 0 HG11 VAL A 5 13.029 2.299 -1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.380 1.332 -2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.533 0.612 -0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 5 15.293 1.848 -0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 5 14.890 0.143 0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 5 16.292 0.556 -0.902 1.00 0.00 H new ATOM 84 N ARG A 6 16.588 -0.432 -3.415 1.00 0.00 N ATOM 85 CA ARG A 6 17.975 -0.834 -3.616 1.00 0.00 C ATOM 86 C ARG A 6 18.815 0.340 -4.109 1.00 0.00 C ATOM 87 O ARG A 6 19.080 0.488 -5.303 1.00 0.00 O ATOM 88 CB ARG A 6 18.053 -1.988 -4.618 1.00 0.00 C ATOM 89 CG ARG A 6 19.090 -3.039 -4.257 1.00 0.00 C ATOM 90 CD ARG A 6 18.892 -4.315 -5.059 1.00 0.00 C ATOM 91 NE ARG A 6 20.162 -4.943 -5.412 1.00 0.00 N ATOM 92 CZ ARG A 6 20.905 -5.632 -4.553 1.00 0.00 C ATOM 93 NH1 ARG A 6 20.506 -5.781 -3.297 1.00 0.00 N ATOM 94 NH2 ARG A 6 22.050 -6.174 -4.949 1.00 0.00 N ATOM 0 H ARG A 6 16.306 0.392 -3.946 1.00 0.00 H new ATOM 0 HA ARG A 6 18.374 -1.166 -2.658 1.00 0.00 H new ATOM 0 HB2 ARG A 6 17.075 -2.464 -4.688 1.00 0.00 H new ATOM 0 HB3 ARG A 6 18.283 -1.586 -5.605 1.00 0.00 H new ATOM 0 HG2 ARG A 6 20.089 -2.644 -4.441 1.00 0.00 H new ATOM 0 HG3 ARG A 6 19.027 -3.264 -3.192 1.00 0.00 H new ATOM 0 HD2 ARG A 6 18.289 -5.016 -4.482 1.00 0.00 H new ATOM 0 HD3 ARG A 6 18.335 -4.089 -5.968 1.00 0.00 H new ATOM 0 HE ARG A 6 20.497 -4.847 -6.371 1.00 0.00 H new ATOM 0 HH11 ARG A 6 19.627 -5.366 -2.989 1.00 0.00 H new ATOM 0 HH12 ARG A 6 21.078 -6.311 -2.639 1.00 0.00 H new ATOM 0 HH21 ARG A 6 22.361 -6.062 -5.914 1.00 0.00 H new ATOM 0 HH22 ARG A 6 22.619 -6.703 -4.288 1.00 0.00 H new ATOM 108 N PRO A 7 19.244 1.196 -3.170 1.00 0.00 N ATOM 109 CA PRO A 7 20.061 2.373 -3.485 1.00 0.00 C ATOM 110 C PRO A 7 21.471 1.998 -3.928 1.00 0.00 C ATOM 111 O PRO A 7 22.237 1.410 -3.164 1.00 0.00 O ATOM 112 CB PRO A 7 20.102 3.141 -2.162 1.00 0.00 C ATOM 113 CG PRO A 7 19.884 2.103 -1.115 1.00 0.00 C ATOM 114 CD PRO A 7 18.966 1.082 -1.729 1.00 0.00 C ATOM 0 HA PRO A 7 19.646 2.947 -4.314 1.00 0.00 H new ATOM 0 HB2 PRO A 7 21.059 3.645 -2.026 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.329 3.909 -2.126 1.00 0.00 H new ATOM 0 HG2 PRO A 7 20.828 1.648 -0.814 1.00 0.00 H new ATOM 0 HG3 PRO A 7 19.440 2.539 -0.220 1.00 0.00 H new ATOM 0 HD2 PRO A 7 19.175 0.079 -1.358 1.00 0.00 H new ATOM 0 HD3 PRO A 7 17.921 1.294 -1.503 1.00 0.00 H new ATOM 122 N LYS A 8 21.808 2.342 -5.166 1.00 0.00 N ATOM 123 CA LYS A 8 23.128 2.044 -5.711 1.00 0.00 C ATOM 124 C LYS A 8 24.199 2.895 -5.038 1.00 0.00 C ATOM 125 O LYS A 8 23.965 3.486 -3.983 1.00 0.00 O ATOM 126 CB LYS A 8 23.144 2.284 -7.222 1.00 0.00 C ATOM 127 CG LYS A 8 21.931 1.720 -7.942 1.00 0.00 C ATOM 128 CD LYS A 8 22.279 1.267 -9.350 1.00 0.00 C ATOM 129 CE LYS A 8 21.124 1.503 -10.312 1.00 0.00 C ATOM 130 NZ LYS A 8 21.298 0.746 -11.582 1.00 0.00 N ATOM 0 H LYS A 8 21.185 2.828 -5.812 1.00 0.00 H new ATOM 0 HA LYS A 8 23.347 0.995 -5.514 1.00 0.00 H new ATOM 0 HB2 LYS A 8 23.201 3.356 -7.410 1.00 0.00 H new ATOM 0 HB3 LYS A 8 24.045 1.838 -7.642 1.00 0.00 H new ATOM 0 HG2 LYS A 8 21.530 0.879 -7.377 1.00 0.00 H new ATOM 0 HG3 LYS A 8 21.148 2.477 -7.985 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.161 1.805 -9.699 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.535 0.208 -9.340 1.00 0.00 H new ATOM 0 HE2 LYS A 8 20.189 1.206 -9.837 1.00 0.00 H new ATOM 0 HE3 LYS A 8 21.046 2.568 -10.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 20.491 0.933 -12.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.177 1.048 -12.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.347 -0.272 -11.375 1.00 0.00 H new ATOM 144 N LEU A 9 25.374 2.955 -5.655 1.00 0.00 N ATOM 145 CA LEU A 9 26.483 3.736 -5.116 1.00 0.00 C ATOM 146 C LEU A 9 26.055 5.175 -4.849 1.00 0.00 C ATOM 147 O LEU A 9 26.105 5.664 -3.720 1.00 0.00 O ATOM 148 CB LEU A 9 27.666 3.715 -6.086 1.00 0.00 C ATOM 149 CG LEU A 9 28.659 2.567 -5.907 1.00 0.00 C ATOM 150 CD1 LEU A 9 29.933 2.836 -6.693 1.00 0.00 C ATOM 151 CD2 LEU A 9 28.974 2.357 -4.433 1.00 0.00 C ATOM 0 H LEU A 9 25.584 2.472 -6.529 1.00 0.00 H new ATOM 0 HA LEU A 9 26.788 3.286 -4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 9 27.276 3.676 -7.103 1.00 0.00 H new ATOM 0 HB3 LEU A 9 28.207 4.656 -5.988 1.00 0.00 H new ATOM 0 HG LEU A 9 28.203 1.655 -6.293 1.00 0.00 H new ATOM 0 HD11 LEU A 9 30.628 2.008 -6.554 1.00 0.00 H new ATOM 0 HD12 LEU A 9 29.693 2.934 -7.752 1.00 0.00 H new ATOM 0 HD13 LEU A 9 30.392 3.759 -6.338 1.00 0.00 H new ATOM 0 HD21 LEU A 9 29.682 1.536 -4.326 1.00 0.00 H new ATOM 0 HD22 LEU A 9 29.409 3.267 -4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 9 28.057 2.117 -3.895 1.00 0.00 H new ATOM 163 N PRO A 10 25.621 5.871 -5.910 1.00 0.00 N ATOM 164 CA PRO A 10 25.173 7.263 -5.815 1.00 0.00 C ATOM 165 C PRO A 10 23.852 7.397 -5.064 1.00 0.00 C ATOM 166 O PRO A 10 23.348 8.504 -4.866 1.00 0.00 O ATOM 167 CB PRO A 10 25.001 7.682 -7.277 1.00 0.00 C ATOM 168 CG PRO A 10 24.746 6.409 -8.008 1.00 0.00 C ATOM 169 CD PRO A 10 25.534 5.351 -7.285 1.00 0.00 C ATOM 0 HA PRO A 10 25.879 7.881 -5.261 1.00 0.00 H new ATOM 0 HB2 PRO A 10 24.171 8.379 -7.394 1.00 0.00 H new ATOM 0 HB3 PRO A 10 25.893 8.183 -7.653 1.00 0.00 H new ATOM 0 HG2 PRO A 10 23.683 6.168 -8.013 1.00 0.00 H new ATOM 0 HG3 PRO A 10 25.060 6.487 -9.049 1.00 0.00 H new ATOM 0 HD2 PRO A 10 25.033 4.384 -7.318 1.00 0.00 H new ATOM 0 HD3 PRO A 10 26.521 5.214 -7.726 1.00 0.00 H new ATOM 177 N LEU A 11 23.296 6.265 -4.648 1.00 0.00 N ATOM 178 CA LEU A 11 22.033 6.256 -3.918 1.00 0.00 C ATOM 179 C LEU A 11 22.242 5.807 -2.475 1.00 0.00 C ATOM 180 O LEU A 11 21.406 6.063 -1.607 1.00 0.00 O ATOM 181 CB LEU A 11 21.028 5.335 -4.611 1.00 0.00 C ATOM 182 CG LEU A 11 20.009 6.019 -5.523 1.00 0.00 C ATOM 183 CD1 LEU A 11 20.589 7.297 -6.107 1.00 0.00 C ATOM 184 CD2 LEU A 11 19.568 5.075 -6.632 1.00 0.00 C ATOM 0 H LEU A 11 23.700 5.341 -4.804 1.00 0.00 H new ATOM 0 HA LEU A 11 21.639 7.272 -3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 11 21.582 4.605 -5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 11 20.486 4.780 -3.845 1.00 0.00 H new ATOM 0 HG LEU A 11 19.135 6.281 -4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 11 19.850 7.770 -6.753 1.00 0.00 H new ATOM 0 HD12 LEU A 11 20.854 7.979 -5.299 1.00 0.00 H new ATOM 0 HD13 LEU A 11 21.480 7.060 -6.688 1.00 0.00 H new ATOM 0 HD21 LEU A 11 18.843 5.578 -7.271 1.00 0.00 H new ATOM 0 HD22 LEU A 11 20.434 4.782 -7.226 1.00 0.00 H new ATOM 0 HD23 LEU A 11 19.111 4.188 -6.194 1.00 0.00 H new ATOM 196 N LEU A 12 23.362 5.138 -2.225 1.00 0.00 N ATOM 197 CA LEU A 12 23.682 4.655 -0.887 1.00 0.00 C ATOM 198 C LEU A 12 24.182 5.793 -0.002 1.00 0.00 C ATOM 199 O LEU A 12 23.836 5.875 1.177 1.00 0.00 O ATOM 200 CB LEU A 12 24.738 3.550 -0.961 1.00 0.00 C ATOM 201 CG LEU A 12 24.453 2.293 -0.137 1.00 0.00 C ATOM 202 CD1 LEU A 12 25.752 1.613 0.265 1.00 0.00 C ATOM 203 CD2 LEU A 12 23.625 2.638 1.093 1.00 0.00 C ATOM 0 H LEU A 12 24.064 4.918 -2.932 1.00 0.00 H new ATOM 0 HA LEU A 12 22.771 4.250 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 12 24.856 3.257 -2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 12 25.692 3.965 -0.636 1.00 0.00 H new ATOM 0 HG LEU A 12 23.880 1.600 -0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.530 0.721 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 12 26.307 1.331 -0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 12 26.352 2.299 0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 12 23.432 1.732 1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.171 3.350 1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 12 22.678 3.079 0.782 1.00 0.00 H new ATOM 215 N LYS A 13 24.996 6.670 -0.580 1.00 0.00 N ATOM 216 CA LYS A 13 25.542 7.806 0.154 1.00 0.00 C ATOM 217 C LYS A 13 24.435 8.775 0.557 1.00 0.00 C ATOM 218 O LYS A 13 24.552 9.484 1.557 1.00 0.00 O ATOM 219 CB LYS A 13 26.587 8.533 -0.695 1.00 0.00 C ATOM 220 CG LYS A 13 25.986 9.480 -1.720 1.00 0.00 C ATOM 221 CD LYS A 13 26.774 9.470 -3.019 1.00 0.00 C ATOM 222 CE LYS A 13 27.344 10.844 -3.336 1.00 0.00 C ATOM 223 NZ LYS A 13 28.644 10.752 -4.056 1.00 0.00 N ATOM 0 H LYS A 13 25.292 6.616 -1.555 1.00 0.00 H new ATOM 0 HA LYS A 13 26.018 7.428 1.059 1.00 0.00 H new ATOM 0 HB2 LYS A 13 27.250 9.096 -0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 13 27.201 7.795 -1.211 1.00 0.00 H new ATOM 0 HG2 LYS A 13 24.953 9.195 -1.918 1.00 0.00 H new ATOM 0 HG3 LYS A 13 25.965 10.491 -1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 13 27.586 8.746 -2.948 1.00 0.00 H new ATOM 0 HD3 LYS A 13 26.128 9.146 -3.835 1.00 0.00 H new ATOM 0 HE2 LYS A 13 26.631 11.402 -3.943 1.00 0.00 H new ATOM 0 HE3 LYS A 13 27.480 11.403 -2.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 29.000 11.709 -4.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 29.332 10.242 -3.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 28.509 10.241 -4.952 1.00 0.00 H new ATOM 237 N ILE A 14 23.362 8.799 -0.225 1.00 0.00 N ATOM 238 CA ILE A 14 22.234 9.680 0.053 1.00 0.00 C ATOM 239 C ILE A 14 21.615 9.368 1.411 1.00 0.00 C ATOM 240 O ILE A 14 21.507 10.243 2.272 1.00 0.00 O ATOM 241 CB ILE A 14 21.147 9.562 -1.033 1.00 0.00 C ATOM 242 CG1 ILE A 14 21.759 9.757 -2.421 1.00 0.00 C ATOM 243 CG2 ILE A 14 20.042 10.579 -0.788 1.00 0.00 C ATOM 244 CD1 ILE A 14 22.246 11.166 -2.675 1.00 0.00 C ATOM 0 H ILE A 14 23.249 8.219 -1.056 1.00 0.00 H new ATOM 0 HA ILE A 14 22.622 10.698 0.058 1.00 0.00 H new ATOM 0 HB ILE A 14 20.713 8.563 -0.985 1.00 0.00 H new ATOM 0 HG12 ILE A 14 22.593 9.066 -2.542 1.00 0.00 H new ATOM 0 HG13 ILE A 14 21.017 9.496 -3.176 1.00 0.00 H new ATOM 0 HG21 ILE A 14 19.281 10.484 -1.563 1.00 0.00 H new ATOM 0 HG22 ILE A 14 19.591 10.398 0.188 1.00 0.00 H new ATOM 0 HG23 ILE A 14 20.461 11.585 -0.813 1.00 0.00 H new ATOM 0 HD11 ILE A 14 22.667 11.230 -3.678 1.00 0.00 H new ATOM 0 HD12 ILE A 14 21.411 11.861 -2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 14 23.011 11.424 -1.943 1.00 0.00 H new ATOM 256 N LEU A 15 21.212 8.116 1.598 1.00 0.00 N ATOM 257 CA LEU A 15 20.605 7.687 2.854 1.00 0.00 C ATOM 258 C LEU A 15 21.644 7.633 3.970 1.00 0.00 C ATOM 259 O LEU A 15 21.365 8.004 5.110 1.00 0.00 O ATOM 260 CB LEU A 15 19.950 6.316 2.684 1.00 0.00 C ATOM 261 CG LEU A 15 18.978 6.177 1.511 1.00 0.00 C ATOM 262 CD1 LEU A 15 18.463 7.541 1.080 1.00 0.00 C ATOM 263 CD2 LEU A 15 19.648 5.465 0.345 1.00 0.00 C ATOM 0 H LEU A 15 21.294 7.380 0.896 1.00 0.00 H new ATOM 0 HA LEU A 15 19.842 8.415 3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 15 20.737 5.571 2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 15 19.416 6.074 3.603 1.00 0.00 H new ATOM 0 HG LEU A 15 18.128 5.577 1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 15 17.773 7.422 0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 15 17.945 8.014 1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.301 8.166 0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.942 5.375 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 15 20.516 6.038 0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 15 19.967 4.471 0.660 1.00 0.00 H new ATOM 275 N HIS A 16 22.843 7.169 3.633 1.00 0.00 N ATOM 276 CA HIS A 16 23.925 7.068 4.606 1.00 0.00 C ATOM 277 C HIS A 16 24.177 8.414 5.279 1.00 0.00 C ATOM 278 O HIS A 16 24.329 8.490 6.498 1.00 0.00 O ATOM 279 CB HIS A 16 25.204 6.576 3.928 1.00 0.00 C ATOM 280 CG HIS A 16 25.249 5.091 3.739 1.00 0.00 C ATOM 281 ND1 HIS A 16 26.416 4.398 3.494 1.00 0.00 N ATOM 282 CD2 HIS A 16 24.261 4.166 3.761 1.00 0.00 C ATOM 283 CE1 HIS A 16 26.144 3.111 3.373 1.00 0.00 C ATOM 284 NE2 HIS A 16 24.843 2.944 3.531 1.00 0.00 N ATOM 0 H HIS A 16 23.090 6.857 2.694 1.00 0.00 H new ATOM 0 HA HIS A 16 23.628 6.349 5.370 1.00 0.00 H new ATOM 0 HB2 HIS A 16 25.300 7.061 2.956 1.00 0.00 H new ATOM 0 HB3 HIS A 16 26.063 6.884 4.524 1.00 0.00 H new ATOM 0 HD1 HIS A 16 27.344 4.814 3.418 1.00 0.00 H new ATOM 0 HD2 HIS A 16 23.211 4.354 3.928 1.00 0.00 H new ATOM 0 HE1 HIS A 16 26.863 2.329 3.178 1.00 0.00 H new ATOM 292 N ALA A 17 24.221 9.473 4.477 1.00 0.00 N ATOM 293 CA ALA A 17 24.453 10.815 4.995 1.00 0.00 C ATOM 294 C ALA A 17 23.353 11.226 5.968 1.00 0.00 C ATOM 295 O ALA A 17 23.596 11.976 6.913 1.00 0.00 O ATOM 296 CB ALA A 17 24.549 11.813 3.851 1.00 0.00 C ATOM 0 H ALA A 17 24.099 9.427 3.465 1.00 0.00 H new ATOM 0 HA ALA A 17 25.398 10.810 5.538 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.722 12.811 4.253 1.00 0.00 H new ATOM 0 HB2 ALA A 17 25.375 11.537 3.196 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.618 11.807 3.284 1.00 0.00 H new ATOM 302 N ALA A 18 22.143 10.730 5.729 1.00 0.00 N ATOM 303 CA ALA A 18 21.006 11.045 6.586 1.00 0.00 C ATOM 304 C ALA A 18 21.025 10.200 7.855 1.00 0.00 C ATOM 305 O ALA A 18 20.244 10.431 8.777 1.00 0.00 O ATOM 306 CB ALA A 18 19.703 10.836 5.829 1.00 0.00 C ATOM 0 H ALA A 18 21.925 10.109 4.950 1.00 0.00 H new ATOM 0 HA ALA A 18 21.080 12.093 6.878 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.862 11.075 6.480 1.00 0.00 H new ATOM 0 HB2 ALA A 18 19.682 11.487 4.955 1.00 0.00 H new ATOM 0 HB3 ALA A 18 19.631 9.797 5.509 1.00 0.00 H new ATOM 312 N GLY A 19 21.922 9.219 7.895 1.00 0.00 N ATOM 313 CA GLY A 19 22.024 8.354 9.056 1.00 0.00 C ATOM 314 C GLY A 19 21.812 6.893 8.711 1.00 0.00 C ATOM 315 O GLY A 19 21.976 6.018 9.560 1.00 0.00 O ATOM 0 H GLY A 19 22.580 9.008 7.144 1.00 0.00 H new ATOM 0 HA2 GLY A 19 23.006 8.478 9.512 1.00 0.00 H new ATOM 0 HA3 GLY A 19 21.287 8.659 9.799 1.00 0.00 H new ATOM 319 N ALA A 20 21.444 6.629 7.462 1.00 0.00 N ATOM 320 CA ALA A 20 21.209 5.264 7.007 1.00 0.00 C ATOM 321 C ALA A 20 22.498 4.450 7.028 1.00 0.00 C ATOM 322 O ALA A 20 23.561 4.962 7.379 1.00 0.00 O ATOM 323 CB ALA A 20 20.609 5.270 5.609 1.00 0.00 C ATOM 0 H ALA A 20 21.302 7.342 6.747 1.00 0.00 H new ATOM 0 HA ALA A 20 20.502 4.795 7.692 1.00 0.00 H new ATOM 0 HB1 ALA A 20 20.439 4.244 5.282 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.662 5.809 5.622 1.00 0.00 H new ATOM 0 HB3 ALA A 20 21.296 5.761 4.920 1.00 0.00 H new ATOM 329 N GLN A 21 22.396 3.179 6.650 1.00 0.00 N ATOM 330 CA GLN A 21 23.554 2.294 6.628 1.00 0.00 C ATOM 331 C GLN A 21 23.148 0.876 6.240 1.00 0.00 C ATOM 332 O GLN A 21 22.487 0.177 7.007 1.00 0.00 O ATOM 333 CB GLN A 21 24.242 2.285 7.994 1.00 0.00 C ATOM 334 CG GLN A 21 25.759 2.337 7.912 1.00 0.00 C ATOM 335 CD GLN A 21 26.314 3.714 8.219 1.00 0.00 C ATOM 336 OE1 GLN A 21 26.988 3.913 9.230 1.00 0.00 O ATOM 337 NE2 GLN A 21 26.032 4.674 7.346 1.00 0.00 N ATOM 0 H GLN A 21 21.524 2.740 6.355 1.00 0.00 H new ATOM 0 HA GLN A 21 24.253 2.670 5.880 1.00 0.00 H new ATOM 0 HB2 GLN A 21 23.889 3.137 8.575 1.00 0.00 H new ATOM 0 HB3 GLN A 21 23.946 1.386 8.534 1.00 0.00 H new ATOM 0 HG2 GLN A 21 26.182 1.615 8.611 1.00 0.00 H new ATOM 0 HG3 GLN A 21 26.075 2.036 6.913 1.00 0.00 H new ATOM 0 HE21 GLN A 21 25.470 4.464 6.521 1.00 0.00 H new ATOM 0 HE22 GLN A 21 26.378 5.621 7.500 1.00 0.00 H new ATOM 346 N GLY A 22 23.548 0.457 5.043 1.00 0.00 N ATOM 347 CA GLY A 22 23.216 -0.876 4.575 1.00 0.00 C ATOM 348 C GLY A 22 23.165 -0.962 3.062 1.00 0.00 C ATOM 349 O GLY A 22 23.906 -0.265 2.369 1.00 0.00 O ATOM 0 H GLY A 22 24.096 1.017 4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 22 23.954 -1.584 4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 22 22.251 -1.172 4.986 1.00 0.00 H new ATOM 353 N GLU A 23 22.290 -1.821 2.549 1.00 0.00 N ATOM 354 CA GLU A 23 22.147 -1.997 1.109 1.00 0.00 C ATOM 355 C GLU A 23 20.676 -2.071 0.712 1.00 0.00 C ATOM 356 O GLU A 23 20.268 -1.512 -0.305 1.00 0.00 O ATOM 357 CB GLU A 23 22.873 -3.265 0.654 1.00 0.00 C ATOM 358 CG GLU A 23 24.016 -2.999 -0.312 1.00 0.00 C ATOM 359 CD GLU A 23 24.760 -4.263 -0.698 1.00 0.00 C ATOM 360 OE1 GLU A 23 24.097 -5.237 -1.113 1.00 0.00 O ATOM 361 OE2 GLU A 23 26.003 -4.278 -0.584 1.00 0.00 O ATOM 0 H GLU A 23 21.670 -2.406 3.109 1.00 0.00 H new ATOM 0 HA GLU A 23 22.595 -1.133 0.618 1.00 0.00 H new ATOM 0 HB2 GLU A 23 23.262 -3.785 1.530 1.00 0.00 H new ATOM 0 HB3 GLU A 23 22.155 -3.934 0.179 1.00 0.00 H new ATOM 0 HG2 GLU A 23 23.624 -2.524 -1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 23 24.714 -2.295 0.142 1.00 0.00 H new ATOM 368 N MET A 24 19.884 -2.764 1.524 1.00 0.00 N ATOM 369 CA MET A 24 18.458 -2.910 1.258 1.00 0.00 C ATOM 370 C MET A 24 17.635 -2.064 2.225 1.00 0.00 C ATOM 371 O MET A 24 18.016 -1.877 3.381 1.00 0.00 O ATOM 372 CB MET A 24 18.044 -4.379 1.369 1.00 0.00 C ATOM 373 CG MET A 24 18.991 -5.215 2.215 1.00 0.00 C ATOM 374 SD MET A 24 20.518 -5.625 1.349 1.00 0.00 S ATOM 375 CE MET A 24 21.677 -5.681 2.713 1.00 0.00 C ATOM 0 H MET A 24 20.206 -3.233 2.371 1.00 0.00 H new ATOM 0 HA MET A 24 18.266 -2.561 0.243 1.00 0.00 H new ATOM 0 HB2 MET A 24 17.043 -4.435 1.796 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.988 -4.809 0.369 1.00 0.00 H new ATOM 0 HG2 MET A 24 19.231 -4.672 3.129 1.00 0.00 H new ATOM 0 HG3 MET A 24 18.489 -6.135 2.514 1.00 0.00 H new ATOM 0 HE1 MET A 24 22.671 -5.924 2.336 1.00 0.00 H new ATOM 0 HE2 MET A 24 21.704 -4.710 3.208 1.00 0.00 H new ATOM 0 HE3 MET A 24 21.363 -6.443 3.426 1.00 0.00 H new ATOM 385 N PHE A 25 16.506 -1.554 1.745 1.00 0.00 N ATOM 386 CA PHE A 25 15.631 -0.727 2.567 1.00 0.00 C ATOM 387 C PHE A 25 14.234 -0.641 1.958 1.00 0.00 C ATOM 388 O PHE A 25 14.040 -0.929 0.776 1.00 0.00 O ATOM 389 CB PHE A 25 16.219 0.677 2.721 1.00 0.00 C ATOM 390 CG PHE A 25 17.604 0.686 3.302 1.00 0.00 C ATOM 391 CD1 PHE A 25 18.708 0.458 2.498 1.00 0.00 C ATOM 392 CD2 PHE A 25 17.801 0.924 4.653 1.00 0.00 C ATOM 393 CE1 PHE A 25 19.984 0.465 3.030 1.00 0.00 C ATOM 394 CE2 PHE A 25 19.074 0.933 5.191 1.00 0.00 C ATOM 395 CZ PHE A 25 20.167 0.704 4.378 1.00 0.00 C ATOM 0 H PHE A 25 16.176 -1.699 0.791 1.00 0.00 H new ATOM 0 HA PHE A 25 15.552 -1.191 3.550 1.00 0.00 H new ATOM 0 HB2 PHE A 25 16.240 1.163 1.745 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.562 1.269 3.358 1.00 0.00 H new ATOM 0 HD1 PHE A 25 18.571 0.273 1.443 1.00 0.00 H new ATOM 0 HD2 PHE A 25 16.950 1.105 5.293 1.00 0.00 H new ATOM 0 HE1 PHE A 25 20.837 0.284 2.392 1.00 0.00 H new ATOM 0 HE2 PHE A 25 19.214 1.119 6.246 1.00 0.00 H new ATOM 0 HZ PHE A 25 21.163 0.712 4.796 1.00 0.00 H new ATOM 405 N THR A 26 13.262 -0.244 2.774 1.00 0.00 N ATOM 406 CA THR A 26 11.884 -0.122 2.318 1.00 0.00 C ATOM 407 C THR A 26 11.555 1.318 1.939 1.00 0.00 C ATOM 408 O THR A 26 12.300 2.242 2.266 1.00 0.00 O ATOM 409 CB THR A 26 10.891 -0.596 3.396 1.00 0.00 C ATOM 410 OG1 THR A 26 11.456 -0.408 4.699 1.00 0.00 O ATOM 411 CG2 THR A 26 10.536 -2.062 3.198 1.00 0.00 C ATOM 0 H THR A 26 13.405 -0.002 3.754 1.00 0.00 H new ATOM 0 HA THR A 26 11.785 -0.758 1.438 1.00 0.00 H new ATOM 0 HB THR A 26 9.981 -0.003 3.306 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.665 -1.280 5.094 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.834 -2.374 3.971 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.080 -2.197 2.217 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.440 -2.667 3.264 1.00 0.00 H new ATOM 419 N VAL A 27 10.435 1.502 1.248 1.00 0.00 N ATOM 420 CA VAL A 27 10.007 2.831 0.826 1.00 0.00 C ATOM 421 C VAL A 27 9.974 3.798 2.004 1.00 0.00 C ATOM 422 O VAL A 27 10.455 4.927 1.908 1.00 0.00 O ATOM 423 CB VAL A 27 8.613 2.790 0.171 1.00 0.00 C ATOM 424 CG1 VAL A 27 7.529 2.667 1.231 1.00 0.00 C ATOM 425 CG2 VAL A 27 8.392 4.025 -0.689 1.00 0.00 C ATOM 0 H VAL A 27 9.807 0.748 0.968 1.00 0.00 H new ATOM 0 HA VAL A 27 10.735 3.180 0.094 1.00 0.00 H new ATOM 0 HB VAL A 27 8.559 1.913 -0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.551 2.640 0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.679 1.750 1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.579 3.524 1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.403 3.979 -1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.465 4.918 -0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.150 4.064 -1.472 1.00 0.00 H new ATOM 435 N LYS A 28 9.406 3.347 3.117 1.00 0.00 N ATOM 436 CA LYS A 28 9.311 4.171 4.316 1.00 0.00 C ATOM 437 C LYS A 28 10.695 4.450 4.894 1.00 0.00 C ATOM 438 O LYS A 28 10.927 5.500 5.492 1.00 0.00 O ATOM 439 CB LYS A 28 8.438 3.481 5.367 1.00 0.00 C ATOM 440 CG LYS A 28 9.226 2.636 6.353 1.00 0.00 C ATOM 441 CD LYS A 28 9.802 1.396 5.691 1.00 0.00 C ATOM 442 CE LYS A 28 9.413 0.132 6.441 1.00 0.00 C ATOM 443 NZ LYS A 28 7.977 0.140 6.836 1.00 0.00 N ATOM 0 H LYS A 28 9.004 2.415 3.214 1.00 0.00 H new ATOM 0 HA LYS A 28 8.853 5.120 4.039 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.879 4.238 5.916 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.708 2.849 4.862 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.034 3.231 6.778 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.579 2.341 7.179 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.447 1.334 4.662 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.888 1.476 5.649 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.612 -0.738 5.815 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.034 0.033 7.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.562 -0.796 6.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.897 0.364 7.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.468 0.858 6.281 1.00 0.00 H new ATOM 457 N GLU A 29 11.610 3.504 4.711 1.00 0.00 N ATOM 458 CA GLU A 29 12.971 3.650 5.214 1.00 0.00 C ATOM 459 C GLU A 29 13.753 4.664 4.384 1.00 0.00 C ATOM 460 O GLU A 29 14.354 5.593 4.923 1.00 0.00 O ATOM 461 CB GLU A 29 13.691 2.300 5.201 1.00 0.00 C ATOM 462 CG GLU A 29 13.971 1.746 6.588 1.00 0.00 C ATOM 463 CD GLU A 29 15.414 1.937 7.013 1.00 0.00 C ATOM 464 OE1 GLU A 29 15.987 3.002 6.702 1.00 0.00 O ATOM 465 OE2 GLU A 29 15.970 1.022 7.656 1.00 0.00 O ATOM 0 H GLU A 29 11.434 2.628 4.218 1.00 0.00 H new ATOM 0 HA GLU A 29 12.914 4.014 6.240 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.087 1.581 4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.634 2.406 4.664 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.316 2.235 7.309 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.729 0.683 6.606 1.00 0.00 H new ATOM 472 N VAL A 30 13.739 4.477 3.068 1.00 0.00 N ATOM 473 CA VAL A 30 14.446 5.375 2.161 1.00 0.00 C ATOM 474 C VAL A 30 13.918 6.801 2.278 1.00 0.00 C ATOM 475 O VAL A 30 14.686 7.762 2.249 1.00 0.00 O ATOM 476 CB VAL A 30 14.318 4.910 0.699 1.00 0.00 C ATOM 477 CG1 VAL A 30 14.973 5.913 -0.240 1.00 0.00 C ATOM 478 CG2 VAL A 30 14.928 3.527 0.524 1.00 0.00 C ATOM 0 H VAL A 30 13.246 3.713 2.606 1.00 0.00 H new ATOM 0 HA VAL A 30 15.497 5.355 2.450 1.00 0.00 H new ATOM 0 HB VAL A 30 13.259 4.850 0.447 1.00 0.00 H new ATOM 0 HG11 VAL A 30 14.873 5.567 -1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.486 6.883 -0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 30 16.030 6.008 0.009 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.829 3.214 -0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.984 3.558 0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.409 2.817 1.168 1.00 0.00 H new ATOM 488 N MET A 31 12.602 6.930 2.411 1.00 0.00 N ATOM 489 CA MET A 31 11.972 8.239 2.534 1.00 0.00 C ATOM 490 C MET A 31 12.329 8.892 3.865 1.00 0.00 C ATOM 491 O MET A 31 12.486 10.110 3.948 1.00 0.00 O ATOM 492 CB MET A 31 10.452 8.111 2.407 1.00 0.00 C ATOM 493 CG MET A 31 9.710 8.370 3.707 1.00 0.00 C ATOM 494 SD MET A 31 9.639 10.122 4.129 1.00 0.00 S ATOM 495 CE MET A 31 8.650 10.756 2.778 1.00 0.00 C ATOM 0 H MET A 31 11.952 6.145 2.436 1.00 0.00 H new ATOM 0 HA MET A 31 12.345 8.871 1.728 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.099 8.812 1.651 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.208 7.110 2.052 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.696 7.978 3.626 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.199 7.825 4.515 1.00 0.00 H new ATOM 0 HE1 MET A 31 9.081 11.690 2.419 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.633 10.028 1.967 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.632 10.936 3.125 1.00 0.00 H new ATOM 505 N HIS A 32 12.456 8.073 4.905 1.00 0.00 N ATOM 506 CA HIS A 32 12.795 8.572 6.233 1.00 0.00 C ATOM 507 C HIS A 32 14.160 9.254 6.225 1.00 0.00 C ATOM 508 O HIS A 32 14.404 10.186 6.992 1.00 0.00 O ATOM 509 CB HIS A 32 12.791 7.428 7.247 1.00 0.00 C ATOM 510 CG HIS A 32 12.456 7.863 8.640 1.00 0.00 C ATOM 511 ND1 HIS A 32 11.384 7.363 9.348 1.00 0.00 N ATOM 512 CD2 HIS A 32 13.061 8.757 9.458 1.00 0.00 C ATOM 513 CE1 HIS A 32 11.342 7.932 10.540 1.00 0.00 C ATOM 514 NE2 HIS A 32 12.349 8.781 10.632 1.00 0.00 N ATOM 0 H HIS A 32 12.329 7.062 4.854 1.00 0.00 H new ATOM 0 HA HIS A 32 12.043 9.306 6.521 1.00 0.00 H new ATOM 0 HB2 HIS A 32 12.072 6.673 6.928 1.00 0.00 H new ATOM 0 HB3 HIS A 32 13.772 6.953 7.250 1.00 0.00 H new ATOM 0 HD2 HIS A 32 13.940 9.342 9.230 1.00 0.00 H new ATOM 0 HE1 HIS A 32 10.609 7.736 11.308 1.00 0.00 H new ATOM 0 HE2 HIS A 32 12.563 9.361 11.443 1.00 0.00 H new ATOM 522 N TYR A 33 15.046 8.784 5.354 1.00 0.00 N ATOM 523 CA TYR A 33 16.387 9.347 5.248 1.00 0.00 C ATOM 524 C TYR A 33 16.359 10.691 4.527 1.00 0.00 C ATOM 525 O TYR A 33 17.175 11.572 4.798 1.00 0.00 O ATOM 526 CB TYR A 33 17.312 8.378 4.510 1.00 0.00 C ATOM 527 CG TYR A 33 17.580 7.099 5.270 1.00 0.00 C ATOM 528 CD1 TYR A 33 18.059 7.129 6.574 1.00 0.00 C ATOM 529 CD2 TYR A 33 17.354 5.859 4.684 1.00 0.00 C ATOM 530 CE1 TYR A 33 18.306 5.962 7.271 1.00 0.00 C ATOM 531 CE2 TYR A 33 17.597 4.688 5.374 1.00 0.00 C ATOM 532 CZ TYR A 33 18.073 4.744 6.668 1.00 0.00 C ATOM 533 OH TYR A 33 18.316 3.580 7.359 1.00 0.00 O ATOM 0 H TYR A 33 14.860 8.014 4.711 1.00 0.00 H new ATOM 0 HA TYR A 33 16.768 9.505 6.257 1.00 0.00 H new ATOM 0 HB2 TYR A 33 16.870 8.131 3.545 1.00 0.00 H new ATOM 0 HB3 TYR A 33 18.260 8.876 4.308 1.00 0.00 H new ATOM 0 HD1 TYR A 33 18.241 8.081 7.051 1.00 0.00 H new ATOM 0 HD2 TYR A 33 16.982 5.811 3.671 1.00 0.00 H new ATOM 0 HE1 TYR A 33 18.680 6.003 8.283 1.00 0.00 H new ATOM 0 HE2 TYR A 33 17.415 3.733 4.903 1.00 0.00 H new ATOM 0 HH TYR A 33 17.702 2.881 7.049 1.00 0.00 H new ATOM 543 N LEU A 34 15.413 10.840 3.606 1.00 0.00 N ATOM 544 CA LEU A 34 15.275 12.077 2.844 1.00 0.00 C ATOM 545 C LEU A 34 15.253 13.288 3.771 1.00 0.00 C ATOM 546 O LEU A 34 16.067 14.200 3.637 1.00 0.00 O ATOM 547 CB LEU A 34 13.999 12.041 2.002 1.00 0.00 C ATOM 548 CG LEU A 34 14.196 11.974 0.487 1.00 0.00 C ATOM 549 CD1 LEU A 34 14.970 13.187 -0.004 1.00 0.00 C ATOM 550 CD2 LEU A 34 14.911 10.689 0.099 1.00 0.00 C ATOM 0 H LEU A 34 14.730 10.120 3.369 1.00 0.00 H new ATOM 0 HA LEU A 34 16.137 12.165 2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.409 11.178 2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.410 12.929 2.233 1.00 0.00 H new ATOM 0 HG LEU A 34 13.215 11.978 0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.101 13.122 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 34 14.418 14.094 0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.947 13.215 0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.043 10.658 -0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.886 10.654 0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.317 9.832 0.417 1.00 0.00 H new ATOM 562 N GLY A 35 14.315 13.288 4.714 1.00 0.00 N ATOM 563 CA GLY A 35 14.205 14.391 5.651 1.00 0.00 C ATOM 564 C GLY A 35 15.515 14.686 6.355 1.00 0.00 C ATOM 565 O GLY A 35 15.935 15.839 6.439 1.00 0.00 O ATOM 0 H GLY A 35 13.630 12.544 4.846 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.872 15.283 5.120 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.441 14.159 6.393 1.00 0.00 H new ATOM 569 N GLN A 36 16.160 13.641 6.864 1.00 0.00 N ATOM 570 CA GLN A 36 17.428 13.795 7.567 1.00 0.00 C ATOM 571 C GLN A 36 18.485 14.410 6.655 1.00 0.00 C ATOM 572 O GLN A 36 19.266 15.262 7.079 1.00 0.00 O ATOM 573 CB GLN A 36 17.913 12.441 8.089 1.00 0.00 C ATOM 574 CG GLN A 36 17.026 11.854 9.174 1.00 0.00 C ATOM 575 CD GLN A 36 17.477 12.241 10.569 1.00 0.00 C ATOM 576 OE1 GLN A 36 16.725 12.850 11.331 1.00 0.00 O ATOM 577 NE2 GLN A 36 18.710 11.888 10.912 1.00 0.00 N ATOM 0 H GLN A 36 15.825 12.679 6.803 1.00 0.00 H new ATOM 0 HA GLN A 36 17.268 14.466 8.411 1.00 0.00 H new ATOM 0 HB2 GLN A 36 17.968 11.739 7.257 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.925 12.553 8.479 1.00 0.00 H new ATOM 0 HG2 GLN A 36 16.001 12.191 9.021 1.00 0.00 H new ATOM 0 HG3 GLN A 36 17.021 10.768 9.086 1.00 0.00 H new ATOM 0 HE21 GLN A 36 19.299 11.384 10.249 1.00 0.00 H new ATOM 0 HE22 GLN A 36 19.068 12.121 11.838 1.00 0.00 H new ATOM 586 N TYR A 37 18.503 13.972 5.401 1.00 0.00 N ATOM 587 CA TYR A 37 19.466 14.478 4.429 1.00 0.00 C ATOM 588 C TYR A 37 19.286 15.978 4.213 1.00 0.00 C ATOM 589 O TYR A 37 20.254 16.738 4.221 1.00 0.00 O ATOM 590 CB TYR A 37 19.316 13.738 3.099 1.00 0.00 C ATOM 591 CG TYR A 37 20.308 14.179 2.046 1.00 0.00 C ATOM 592 CD1 TYR A 37 21.634 13.768 2.097 1.00 0.00 C ATOM 593 CD2 TYR A 37 19.918 15.007 1.000 1.00 0.00 C ATOM 594 CE1 TYR A 37 22.544 14.169 1.137 1.00 0.00 C ATOM 595 CE2 TYR A 37 20.821 15.412 0.036 1.00 0.00 C ATOM 596 CZ TYR A 37 22.132 14.990 0.109 1.00 0.00 C ATOM 597 OH TYR A 37 23.034 15.392 -0.849 1.00 0.00 O ATOM 0 H TYR A 37 17.862 13.268 5.034 1.00 0.00 H new ATOM 0 HA TYR A 37 20.467 14.304 4.823 1.00 0.00 H new ATOM 0 HB2 TYR A 37 19.434 12.668 3.272 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.305 13.890 2.720 1.00 0.00 H new ATOM 0 HD1 TYR A 37 21.959 13.124 2.901 1.00 0.00 H new ATOM 0 HD2 TYR A 37 18.892 15.339 0.940 1.00 0.00 H new ATOM 0 HE1 TYR A 37 23.572 13.841 1.192 1.00 0.00 H new ATOM 0 HE2 TYR A 37 20.502 16.056 -0.770 1.00 0.00 H new ATOM 0 HH TYR A 37 23.914 15.009 -0.651 1.00 0.00 H new ATOM 607 N ILE A 38 18.039 16.395 4.021 1.00 0.00 N ATOM 608 CA ILE A 38 17.730 17.803 3.805 1.00 0.00 C ATOM 609 C ILE A 38 18.158 18.650 4.999 1.00 0.00 C ATOM 610 O ILE A 38 18.820 19.675 4.841 1.00 0.00 O ATOM 611 CB ILE A 38 16.227 18.017 3.550 1.00 0.00 C ATOM 612 CG1 ILE A 38 15.752 17.134 2.395 1.00 0.00 C ATOM 613 CG2 ILE A 38 15.943 19.483 3.256 1.00 0.00 C ATOM 614 CD1 ILE A 38 14.246 17.046 2.281 1.00 0.00 C ATOM 0 H ILE A 38 17.227 15.778 4.011 1.00 0.00 H new ATOM 0 HA ILE A 38 18.288 18.116 2.922 1.00 0.00 H new ATOM 0 HB ILE A 38 15.677 17.734 4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 38 16.157 17.523 1.461 1.00 0.00 H new ATOM 0 HG13 ILE A 38 16.158 16.131 2.525 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.876 19.618 3.078 1.00 0.00 H new ATOM 0 HG22 ILE A 38 16.249 20.091 4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 38 16.501 19.791 2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 38 13.982 16.404 1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.835 16.628 3.200 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.834 18.042 2.120 1.00 0.00 H new ATOM 626 N MET A 39 17.777 18.212 6.195 1.00 0.00 N ATOM 627 CA MET A 39 18.124 18.928 7.417 1.00 0.00 C ATOM 628 C MET A 39 19.636 18.969 7.612 1.00 0.00 C ATOM 629 O MET A 39 20.178 19.941 8.139 1.00 0.00 O ATOM 630 CB MET A 39 17.459 18.268 8.626 1.00 0.00 C ATOM 631 CG MET A 39 18.445 17.613 9.580 1.00 0.00 C ATOM 632 SD MET A 39 17.650 16.957 11.059 1.00 0.00 S ATOM 633 CE MET A 39 16.462 18.251 11.407 1.00 0.00 C ATOM 0 H MET A 39 17.228 17.365 6.344 1.00 0.00 H new ATOM 0 HA MET A 39 17.760 19.951 7.325 1.00 0.00 H new ATOM 0 HB2 MET A 39 16.885 19.019 9.169 1.00 0.00 H new ATOM 0 HB3 MET A 39 16.751 17.517 8.276 1.00 0.00 H new ATOM 0 HG2 MET A 39 18.963 16.806 9.063 1.00 0.00 H new ATOM 0 HG3 MET A 39 19.201 18.342 9.872 1.00 0.00 H new ATOM 0 HE1 MET A 39 16.081 18.132 12.421 1.00 0.00 H new ATOM 0 HE2 MET A 39 16.945 19.224 11.312 1.00 0.00 H new ATOM 0 HE3 MET A 39 15.635 18.186 10.699 1.00 0.00 H new ATOM 643 N VAL A 40 20.312 17.907 7.185 1.00 0.00 N ATOM 644 CA VAL A 40 21.762 17.822 7.313 1.00 0.00 C ATOM 645 C VAL A 40 22.455 18.785 6.355 1.00 0.00 C ATOM 646 O VAL A 40 23.465 19.400 6.698 1.00 0.00 O ATOM 647 CB VAL A 40 22.267 16.393 7.041 1.00 0.00 C ATOM 648 CG1 VAL A 40 22.993 16.327 5.706 1.00 0.00 C ATOM 649 CG2 VAL A 40 23.170 15.923 8.171 1.00 0.00 C ATOM 0 H VAL A 40 19.879 17.094 6.748 1.00 0.00 H new ATOM 0 HA VAL A 40 22.006 18.096 8.339 1.00 0.00 H new ATOM 0 HB VAL A 40 21.406 15.726 6.992 1.00 0.00 H new ATOM 0 HG11 VAL A 40 23.342 15.309 5.532 1.00 0.00 H new ATOM 0 HG12 VAL A 40 22.312 16.619 4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 40 23.846 17.006 5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 40 23.518 14.911 7.962 1.00 0.00 H new ATOM 0 HG22 VAL A 40 24.027 16.591 8.254 1.00 0.00 H new ATOM 0 HG23 VAL A 40 22.613 15.929 9.108 1.00 0.00 H new ATOM 659 N LYS A 41 21.906 18.911 5.152 1.00 0.00 N ATOM 660 CA LYS A 41 22.469 19.801 4.143 1.00 0.00 C ATOM 661 C LYS A 41 21.974 21.230 4.340 1.00 0.00 C ATOM 662 O LYS A 41 22.541 22.173 3.789 1.00 0.00 O ATOM 663 CB LYS A 41 22.103 19.311 2.740 1.00 0.00 C ATOM 664 CG LYS A 41 23.084 18.299 2.173 1.00 0.00 C ATOM 665 CD LYS A 41 24.492 18.866 2.106 1.00 0.00 C ATOM 666 CE LYS A 41 25.398 18.234 3.152 1.00 0.00 C ATOM 667 NZ LYS A 41 26.782 18.035 2.641 1.00 0.00 N ATOM 0 H LYS A 41 21.071 18.408 4.851 1.00 0.00 H new ATOM 0 HA LYS A 41 23.553 19.793 4.252 1.00 0.00 H new ATOM 0 HB2 LYS A 41 21.109 18.864 2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 41 22.049 20.167 2.068 1.00 0.00 H new ATOM 0 HG2 LYS A 41 23.081 17.402 2.792 1.00 0.00 H new ATOM 0 HG3 LYS A 41 22.763 17.999 1.175 1.00 0.00 H new ATOM 0 HD2 LYS A 41 24.907 18.695 1.113 1.00 0.00 H new ATOM 0 HD3 LYS A 41 24.458 19.945 2.256 1.00 0.00 H new ATOM 0 HE2 LYS A 41 25.426 18.868 4.038 1.00 0.00 H new ATOM 0 HE3 LYS A 41 24.983 17.274 3.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 27.367 17.602 3.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 26.759 17.410 1.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 27.188 18.954 2.372 1.00 0.00 H new ATOM 681 N GLN A 42 20.915 21.381 5.128 1.00 0.00 N ATOM 682 CA GLN A 42 20.344 22.695 5.397 1.00 0.00 C ATOM 683 C GLN A 42 19.701 23.277 4.142 1.00 0.00 C ATOM 684 O GLN A 42 20.169 24.278 3.599 1.00 0.00 O ATOM 685 CB GLN A 42 21.424 23.646 5.918 1.00 0.00 C ATOM 686 CG GLN A 42 21.340 23.899 7.414 1.00 0.00 C ATOM 687 CD GLN A 42 22.381 23.123 8.197 1.00 0.00 C ATOM 688 OE1 GLN A 42 23.033 23.664 9.091 1.00 0.00 O ATOM 689 NE2 GLN A 42 22.544 21.848 7.864 1.00 0.00 N ATOM 0 H GLN A 42 20.435 20.610 5.591 1.00 0.00 H new ATOM 0 HA GLN A 42 19.572 22.579 6.158 1.00 0.00 H new ATOM 0 HB2 GLN A 42 22.405 23.233 5.682 1.00 0.00 H new ATOM 0 HB3 GLN A 42 21.344 24.597 5.392 1.00 0.00 H new ATOM 0 HG2 GLN A 42 21.466 24.964 7.606 1.00 0.00 H new ATOM 0 HG3 GLN A 42 20.346 23.627 7.769 1.00 0.00 H new ATOM 0 HE21 GLN A 42 21.982 21.440 7.117 1.00 0.00 H new ATOM 0 HE22 GLN A 42 23.231 21.276 8.356 1.00 0.00 H new ATOM 698 N LEU A 43 18.626 22.643 3.687 1.00 0.00 N ATOM 699 CA LEU A 43 17.917 23.097 2.496 1.00 0.00 C ATOM 700 C LEU A 43 16.428 23.268 2.779 1.00 0.00 C ATOM 701 O LEU A 43 15.588 22.628 2.146 1.00 0.00 O ATOM 702 CB LEU A 43 18.119 22.105 1.349 1.00 0.00 C ATOM 703 CG LEU A 43 19.433 22.230 0.577 1.00 0.00 C ATOM 704 CD1 LEU A 43 19.535 23.595 -0.085 1.00 0.00 C ATOM 705 CD2 LEU A 43 20.619 21.993 1.501 1.00 0.00 C ATOM 0 H LEU A 43 18.226 21.813 4.125 1.00 0.00 H new ATOM 0 HA LEU A 43 18.326 24.065 2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 43 18.053 21.095 1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 43 17.295 22.221 0.645 1.00 0.00 H new ATOM 0 HG LEU A 43 19.448 21.469 -0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 43 20.476 23.666 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 43 18.704 23.726 -0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 43 19.498 24.373 0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 43 21.546 22.086 0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 43 20.608 22.731 2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 43 20.553 20.992 1.928 1.00 0.00 H new ATOM 717 N TYR A 44 16.109 24.135 3.733 1.00 0.00 N ATOM 718 CA TYR A 44 14.721 24.390 4.101 1.00 0.00 C ATOM 719 C TYR A 44 14.606 25.650 4.953 1.00 0.00 C ATOM 720 O TYR A 44 15.611 26.224 5.372 1.00 0.00 O ATOM 721 CB TYR A 44 14.145 23.193 4.860 1.00 0.00 C ATOM 722 CG TYR A 44 14.891 22.868 6.134 1.00 0.00 C ATOM 723 CD1 TYR A 44 16.231 22.501 6.103 1.00 0.00 C ATOM 724 CD2 TYR A 44 14.256 22.927 7.369 1.00 0.00 C ATOM 725 CE1 TYR A 44 16.916 22.202 7.265 1.00 0.00 C ATOM 726 CE2 TYR A 44 14.935 22.631 8.535 1.00 0.00 C ATOM 727 CZ TYR A 44 16.264 22.269 8.478 1.00 0.00 C ATOM 728 OH TYR A 44 16.943 21.973 9.638 1.00 0.00 O ATOM 0 H TYR A 44 16.792 24.673 4.266 1.00 0.00 H new ATOM 0 HA TYR A 44 14.150 24.540 3.185 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.101 23.395 5.101 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.158 22.320 4.208 1.00 0.00 H new ATOM 0 HD1 TYR A 44 16.745 22.449 5.155 1.00 0.00 H new ATOM 0 HD2 TYR A 44 13.215 23.209 7.418 1.00 0.00 H new ATOM 0 HE1 TYR A 44 17.957 21.917 7.223 1.00 0.00 H new ATOM 0 HE2 TYR A 44 14.427 22.683 9.487 1.00 0.00 H new ATOM 0 HH TYR A 44 16.339 22.069 10.404 1.00 0.00 H new ATOM 738 N ASP A 45 13.372 26.074 5.206 1.00 0.00 N ATOM 739 CA ASP A 45 13.123 27.266 6.009 1.00 0.00 C ATOM 740 C ASP A 45 12.955 26.903 7.481 1.00 0.00 C ATOM 741 O ASP A 45 12.136 26.054 7.831 1.00 0.00 O ATOM 742 CB ASP A 45 11.877 27.995 5.505 1.00 0.00 C ATOM 743 CG ASP A 45 12.147 29.455 5.194 1.00 0.00 C ATOM 744 OD1 ASP A 45 13.223 29.956 5.584 1.00 0.00 O ATOM 745 OD2 ASP A 45 11.283 30.095 4.560 1.00 0.00 O ATOM 0 H ASP A 45 12.529 25.610 4.867 1.00 0.00 H new ATOM 0 HA ASP A 45 13.985 27.927 5.912 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.506 27.498 4.609 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.090 27.926 6.256 1.00 0.00 H new ATOM 750 N GLN A 46 13.737 27.552 8.338 1.00 0.00 N ATOM 751 CA GLN A 46 13.675 27.295 9.772 1.00 0.00 C ATOM 752 C GLN A 46 12.315 27.693 10.338 1.00 0.00 C ATOM 753 O GLN A 46 11.996 27.383 11.486 1.00 0.00 O ATOM 754 CB GLN A 46 14.785 28.059 10.497 1.00 0.00 C ATOM 755 CG GLN A 46 16.181 27.710 10.008 1.00 0.00 C ATOM 756 CD GLN A 46 16.550 28.435 8.729 1.00 0.00 C ATOM 757 OE1 GLN A 46 17.142 29.514 8.761 1.00 0.00 O ATOM 758 NE2 GLN A 46 16.201 27.844 7.592 1.00 0.00 N ATOM 0 H GLN A 46 14.420 28.259 8.065 1.00 0.00 H new ATOM 0 HA GLN A 46 13.816 26.226 9.930 1.00 0.00 H new ATOM 0 HB2 GLN A 46 14.621 29.129 10.370 1.00 0.00 H new ATOM 0 HB3 GLN A 46 14.720 27.851 11.565 1.00 0.00 H new ATOM 0 HG2 GLN A 46 16.906 27.958 10.783 1.00 0.00 H new ATOM 0 HG3 GLN A 46 16.246 26.635 9.843 1.00 0.00 H new ATOM 0 HE21 GLN A 46 15.711 26.949 7.612 1.00 0.00 H new ATOM 0 HE22 GLN A 46 16.423 28.285 6.699 1.00 0.00 H new ATOM 767 N GLN A 47 11.520 28.381 9.525 1.00 0.00 N ATOM 768 CA GLN A 47 10.195 28.822 9.947 1.00 0.00 C ATOM 769 C GLN A 47 9.120 27.857 9.459 1.00 0.00 C ATOM 770 O GLN A 47 8.062 27.730 10.074 1.00 0.00 O ATOM 771 CB GLN A 47 9.911 30.229 9.419 1.00 0.00 C ATOM 772 CG GLN A 47 11.108 30.878 8.742 1.00 0.00 C ATOM 773 CD GLN A 47 12.272 31.087 9.690 1.00 0.00 C ATOM 774 OE1 GLN A 47 12.093 31.537 10.823 1.00 0.00 O ATOM 775 NE2 GLN A 47 13.475 30.761 9.232 1.00 0.00 N ATOM 0 H GLN A 47 11.769 28.645 8.572 1.00 0.00 H new ATOM 0 HA GLN A 47 10.175 28.839 11.037 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.084 30.182 8.710 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.586 30.860 10.246 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.431 30.255 7.908 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.808 31.839 8.324 1.00 0.00 H new ATOM 0 HE21 GLN A 47 13.578 30.391 8.287 1.00 0.00 H new ATOM 0 HE22 GLN A 47 14.296 30.880 9.825 1.00 0.00 H new ATOM 784 N GLU A 48 9.399 27.179 8.350 1.00 0.00 N ATOM 785 CA GLU A 48 8.453 26.226 7.779 1.00 0.00 C ATOM 786 C GLU A 48 9.182 25.013 7.207 1.00 0.00 C ATOM 787 O GLU A 48 9.420 24.932 6.003 1.00 0.00 O ATOM 788 CB GLU A 48 7.618 26.895 6.686 1.00 0.00 C ATOM 789 CG GLU A 48 6.653 27.944 7.214 1.00 0.00 C ATOM 790 CD GLU A 48 5.722 28.473 6.140 1.00 0.00 C ATOM 791 OE1 GLU A 48 5.923 28.125 4.958 1.00 0.00 O ATOM 792 OE2 GLU A 48 4.793 29.234 6.482 1.00 0.00 O ATOM 0 H GLU A 48 10.271 27.271 7.829 1.00 0.00 H new ATOM 0 HA GLU A 48 7.791 25.888 8.576 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.287 27.361 5.963 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.054 26.130 6.152 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.062 27.514 8.023 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.220 28.773 7.639 1.00 0.00 H new ATOM 799 N GLN A 49 9.533 24.075 8.081 1.00 0.00 N ATOM 800 CA GLN A 49 10.235 22.867 7.663 1.00 0.00 C ATOM 801 C GLN A 49 9.502 22.181 6.515 1.00 0.00 C ATOM 802 O GLN A 49 10.080 21.366 5.795 1.00 0.00 O ATOM 803 CB GLN A 49 10.380 21.903 8.841 1.00 0.00 C ATOM 804 CG GLN A 49 10.851 22.573 10.122 1.00 0.00 C ATOM 805 CD GLN A 49 12.224 22.100 10.557 1.00 0.00 C ATOM 806 OE1 GLN A 49 12.615 20.963 10.290 1.00 0.00 O ATOM 807 NE2 GLN A 49 12.965 22.972 11.231 1.00 0.00 N ATOM 0 H GLN A 49 9.343 24.128 9.082 1.00 0.00 H new ATOM 0 HA GLN A 49 11.227 23.155 7.315 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.420 21.421 9.025 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.085 21.117 8.572 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.872 23.653 9.976 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.133 22.373 10.917 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.601 23.904 11.430 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.898 22.710 11.549 1.00 0.00 H new ATOM 816 N HIS A 50 8.226 22.515 6.351 1.00 0.00 N ATOM 817 CA HIS A 50 7.413 21.930 5.290 1.00 0.00 C ATOM 818 C HIS A 50 7.567 22.716 3.992 1.00 0.00 C ATOM 819 O HIS A 50 6.710 22.652 3.111 1.00 0.00 O ATOM 820 CB HIS A 50 5.942 21.894 5.707 1.00 0.00 C ATOM 821 CG HIS A 50 5.282 23.238 5.690 1.00 0.00 C ATOM 822 ND1 HIS A 50 5.450 24.171 6.691 1.00 0.00 N ATOM 823 CD2 HIS A 50 4.449 23.804 4.785 1.00 0.00 C ATOM 824 CE1 HIS A 50 4.748 25.253 6.403 1.00 0.00 C ATOM 825 NE2 HIS A 50 4.132 25.056 5.251 1.00 0.00 N ATOM 0 H HIS A 50 7.733 23.187 6.939 1.00 0.00 H new ATOM 0 HA HIS A 50 7.760 20.911 5.120 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.400 21.224 5.040 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.867 21.474 6.710 1.00 0.00 H new ATOM 0 HD1 HIS A 50 6.026 24.046 7.523 1.00 0.00 H new ATOM 0 HD2 HIS A 50 4.099 23.354 3.867 1.00 0.00 H new ATOM 0 HE1 HIS A 50 4.688 26.146 7.007 1.00 0.00 H new ATOM 833 N MET A 51 8.664 23.459 3.882 1.00 0.00 N ATOM 834 CA MET A 51 8.929 24.257 2.691 1.00 0.00 C ATOM 835 C MET A 51 10.359 24.045 2.201 1.00 0.00 C ATOM 836 O MET A 51 11.074 25.003 1.908 1.00 0.00 O ATOM 837 CB MET A 51 8.693 25.740 2.981 1.00 0.00 C ATOM 838 CG MET A 51 7.372 26.263 2.439 1.00 0.00 C ATOM 839 SD MET A 51 7.538 27.004 0.803 1.00 0.00 S ATOM 840 CE MET A 51 8.775 25.935 0.071 1.00 0.00 C ATOM 0 H MET A 51 9.383 23.525 4.603 1.00 0.00 H new ATOM 0 HA MET A 51 8.243 23.933 1.908 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.723 25.900 4.059 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.509 26.320 2.550 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.653 25.445 2.392 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.968 27.003 3.130 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.747 26.035 -1.014 1.00 0.00 H new ATOM 0 HE2 MET A 51 9.762 26.218 0.436 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.570 24.900 0.345 1.00 0.00 H new ATOM 850 N VAL A 52 10.769 22.783 2.116 1.00 0.00 N ATOM 851 CA VAL A 52 12.113 22.445 1.661 1.00 0.00 C ATOM 852 C VAL A 52 12.560 23.369 0.534 1.00 0.00 C ATOM 853 O VAL A 52 11.824 23.594 -0.427 1.00 0.00 O ATOM 854 CB VAL A 52 12.191 20.986 1.176 1.00 0.00 C ATOM 855 CG1 VAL A 52 13.593 20.661 0.684 1.00 0.00 C ATOM 856 CG2 VAL A 52 11.771 20.033 2.285 1.00 0.00 C ATOM 0 H VAL A 52 10.190 21.978 2.356 1.00 0.00 H new ATOM 0 HA VAL A 52 12.778 22.571 2.516 1.00 0.00 H new ATOM 0 HB VAL A 52 11.501 20.861 0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.629 19.626 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.851 21.323 -0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.306 20.802 1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.832 19.006 1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.433 20.157 3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.746 20.252 2.584 1.00 0.00 H new ATOM 866 N TYR A 53 13.770 23.901 0.658 1.00 0.00 N ATOM 867 CA TYR A 53 14.316 24.803 -0.350 1.00 0.00 C ATOM 868 C TYR A 53 15.500 24.164 -1.069 1.00 0.00 C ATOM 869 O TYR A 53 16.639 24.615 -0.935 1.00 0.00 O ATOM 870 CB TYR A 53 14.747 26.121 0.295 1.00 0.00 C ATOM 871 CG TYR A 53 13.616 27.110 0.465 1.00 0.00 C ATOM 872 CD1 TYR A 53 12.822 27.480 -0.613 1.00 0.00 C ATOM 873 CD2 TYR A 53 13.341 27.674 1.705 1.00 0.00 C ATOM 874 CE1 TYR A 53 11.788 28.384 -0.462 1.00 0.00 C ATOM 875 CE2 TYR A 53 12.309 28.577 1.866 1.00 0.00 C ATOM 876 CZ TYR A 53 11.535 28.930 0.779 1.00 0.00 C ATOM 877 OH TYR A 53 10.505 29.829 0.935 1.00 0.00 O ATOM 0 H TYR A 53 14.392 23.724 1.447 1.00 0.00 H new ATOM 0 HA TYR A 53 13.535 25.004 -1.083 1.00 0.00 H new ATOM 0 HB2 TYR A 53 15.185 25.912 1.271 1.00 0.00 H new ATOM 0 HB3 TYR A 53 15.528 26.576 -0.315 1.00 0.00 H new ATOM 0 HD1 TYR A 53 13.016 27.054 -1.586 1.00 0.00 H new ATOM 0 HD2 TYR A 53 13.945 27.401 2.558 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.181 28.662 -1.311 1.00 0.00 H new ATOM 0 HE2 TYR A 53 12.108 29.005 2.837 1.00 0.00 H new ATOM 0 HH TYR A 53 10.461 30.117 1.871 1.00 0.00 H new ATOM 887 N CYS A 54 15.224 23.111 -1.830 1.00 0.00 N ATOM 888 CA CYS A 54 16.265 22.409 -2.571 1.00 0.00 C ATOM 889 C CYS A 54 17.291 23.390 -3.130 1.00 0.00 C ATOM 890 O CYS A 54 18.493 23.129 -3.104 1.00 0.00 O ATOM 891 CB CYS A 54 15.649 21.593 -3.709 1.00 0.00 C ATOM 892 SG CYS A 54 15.672 22.429 -5.312 1.00 0.00 S ATOM 0 H CYS A 54 14.288 22.725 -1.950 1.00 0.00 H new ATOM 0 HA CYS A 54 16.773 21.733 -1.883 1.00 0.00 H new ATOM 0 HB2 CYS A 54 16.185 20.648 -3.796 1.00 0.00 H new ATOM 0 HB3 CYS A 54 14.618 21.351 -3.452 1.00 0.00 H new ATOM 0 HG CYS A 54 15.179 23.625 -5.185 1.00 0.00 H new ATOM 898 N GLY A 55 16.807 24.520 -3.637 1.00 0.00 N ATOM 899 CA GLY A 55 17.695 25.522 -4.196 1.00 0.00 C ATOM 900 C GLY A 55 18.512 24.990 -5.357 1.00 0.00 C ATOM 901 O GLY A 55 18.181 25.228 -6.518 1.00 0.00 O ATOM 0 H GLY A 55 15.816 24.759 -3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 55 17.108 26.377 -4.531 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.367 25.882 -3.417 1.00 0.00 H new ATOM 905 N GLY A 56 19.583 24.267 -5.043 1.00 0.00 N ATOM 906 CA GLY A 56 20.434 23.713 -6.080 1.00 0.00 C ATOM 907 C GLY A 56 21.272 22.552 -5.584 1.00 0.00 C ATOM 908 O GLY A 56 22.310 22.233 -6.164 1.00 0.00 O ATOM 0 H GLY A 56 19.876 24.055 -4.089 1.00 0.00 H new ATOM 0 HA2 GLY A 56 19.816 23.381 -6.914 1.00 0.00 H new ATOM 0 HA3 GLY A 56 21.091 24.494 -6.462 1.00 0.00 H new ATOM 912 N ASP A 57 20.823 21.919 -4.505 1.00 0.00 N ATOM 913 CA ASP A 57 21.539 20.787 -3.930 1.00 0.00 C ATOM 914 C ASP A 57 21.200 19.496 -4.669 1.00 0.00 C ATOM 915 O ASP A 57 20.363 19.488 -5.572 1.00 0.00 O ATOM 916 CB ASP A 57 21.200 20.643 -2.445 1.00 0.00 C ATOM 917 CG ASP A 57 22.436 20.470 -1.583 1.00 0.00 C ATOM 918 OD1 ASP A 57 23.519 20.932 -1.999 1.00 0.00 O ATOM 919 OD2 ASP A 57 22.319 19.872 -0.493 1.00 0.00 O ATOM 0 H ASP A 57 19.967 22.171 -4.012 1.00 0.00 H new ATOM 0 HA ASP A 57 22.608 20.974 -4.035 1.00 0.00 H new ATOM 0 HB2 ASP A 57 20.650 21.524 -2.114 1.00 0.00 H new ATOM 0 HB3 ASP A 57 20.541 19.785 -2.307 1.00 0.00 H new ATOM 924 N LEU A 58 21.855 18.408 -4.280 1.00 0.00 N ATOM 925 CA LEU A 58 21.624 17.111 -4.907 1.00 0.00 C ATOM 926 C LEU A 58 20.131 16.831 -5.044 1.00 0.00 C ATOM 927 O LEU A 58 19.638 16.554 -6.138 1.00 0.00 O ATOM 928 CB LEU A 58 22.289 16.002 -4.090 1.00 0.00 C ATOM 929 CG LEU A 58 23.818 16.004 -4.076 1.00 0.00 C ATOM 930 CD1 LEU A 58 24.351 14.606 -3.803 1.00 0.00 C ATOM 931 CD2 LEU A 58 24.363 16.538 -5.393 1.00 0.00 C ATOM 0 H LEU A 58 22.550 18.398 -3.534 1.00 0.00 H new ATOM 0 HA LEU A 58 22.064 17.133 -5.904 1.00 0.00 H new ATOM 0 HB2 LEU A 58 21.936 16.074 -3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 58 21.950 15.041 -4.476 1.00 0.00 H new ATOM 0 HG LEU A 58 24.154 16.661 -3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 58 25.441 14.627 -3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 58 23.989 14.261 -2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 58 24.006 13.926 -4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 58 25.453 16.532 -5.365 1.00 0.00 H new ATOM 0 HD22 LEU A 58 24.018 15.907 -6.212 1.00 0.00 H new ATOM 0 HD23 LEU A 58 24.009 17.558 -5.546 1.00 0.00 H new ATOM 943 N LEU A 59 19.415 16.908 -3.928 1.00 0.00 N ATOM 944 CA LEU A 59 17.976 16.665 -3.923 1.00 0.00 C ATOM 945 C LEU A 59 17.263 17.604 -4.890 1.00 0.00 C ATOM 946 O LEU A 59 16.286 17.224 -5.534 1.00 0.00 O ATOM 947 CB LEU A 59 17.414 16.844 -2.512 1.00 0.00 C ATOM 948 CG LEU A 59 17.571 18.235 -1.898 1.00 0.00 C ATOM 949 CD1 LEU A 59 16.216 18.910 -1.751 1.00 0.00 C ATOM 950 CD2 LEU A 59 18.274 18.147 -0.551 1.00 0.00 C ATOM 0 H LEU A 59 19.807 17.137 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 59 17.804 15.639 -4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 59 16.353 16.595 -2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 59 17.899 16.122 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 59 18.184 18.839 -2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 59 16.348 19.899 -1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 59 15.750 19.007 -2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 59 15.578 18.308 -1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 59 18.377 19.146 -0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 59 17.687 17.526 0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 59 19.262 17.706 -0.684 1.00 0.00 H new ATOM 962 N GLY A 60 17.759 18.834 -4.988 1.00 0.00 N ATOM 963 CA GLY A 60 17.158 19.808 -5.880 1.00 0.00 C ATOM 964 C GLY A 60 17.312 19.429 -7.340 1.00 0.00 C ATOM 965 O GLY A 60 16.346 19.466 -8.102 1.00 0.00 O ATOM 0 H GLY A 60 18.567 19.173 -4.465 1.00 0.00 H new ATOM 0 HA2 GLY A 60 16.099 19.908 -5.643 1.00 0.00 H new ATOM 0 HA3 GLY A 60 17.616 20.783 -5.710 1.00 0.00 H new ATOM 969 N GLU A 61 18.530 19.066 -7.731 1.00 0.00 N ATOM 970 CA GLU A 61 18.806 18.683 -9.110 1.00 0.00 C ATOM 971 C GLU A 61 18.023 17.430 -9.494 1.00 0.00 C ATOM 972 O GLU A 61 17.542 17.306 -10.621 1.00 0.00 O ATOM 973 CB GLU A 61 20.304 18.440 -9.305 1.00 0.00 C ATOM 974 CG GLU A 61 21.178 19.551 -8.749 1.00 0.00 C ATOM 975 CD GLU A 61 20.725 20.928 -9.195 1.00 0.00 C ATOM 976 OE1 GLU A 61 20.503 21.116 -10.409 1.00 0.00 O ATOM 977 OE2 GLU A 61 20.591 21.817 -8.328 1.00 0.00 O ATOM 0 H GLU A 61 19.340 19.029 -7.112 1.00 0.00 H new ATOM 0 HA GLU A 61 18.490 19.501 -9.757 1.00 0.00 H new ATOM 0 HB2 GLU A 61 20.577 17.500 -8.825 1.00 0.00 H new ATOM 0 HB3 GLU A 61 20.509 18.326 -10.369 1.00 0.00 H new ATOM 0 HG2 GLU A 61 21.169 19.505 -7.660 1.00 0.00 H new ATOM 0 HG3 GLU A 61 22.208 19.391 -9.066 1.00 0.00 H new ATOM 984 N LEU A 62 17.898 16.505 -8.549 1.00 0.00 N ATOM 985 CA LEU A 62 17.174 15.261 -8.787 1.00 0.00 C ATOM 986 C LEU A 62 15.690 15.531 -9.017 1.00 0.00 C ATOM 987 O LEU A 62 15.119 15.101 -10.020 1.00 0.00 O ATOM 988 CB LEU A 62 17.353 14.309 -7.603 1.00 0.00 C ATOM 989 CG LEU A 62 16.382 13.130 -7.537 1.00 0.00 C ATOM 990 CD1 LEU A 62 16.499 12.273 -8.788 1.00 0.00 C ATOM 991 CD2 LEU A 62 16.641 12.295 -6.291 1.00 0.00 C ATOM 0 H LEU A 62 18.288 16.593 -7.611 1.00 0.00 H new ATOM 0 HA LEU A 62 17.584 14.796 -9.684 1.00 0.00 H new ATOM 0 HB2 LEU A 62 18.369 13.916 -7.629 1.00 0.00 H new ATOM 0 HB3 LEU A 62 17.257 14.884 -6.682 1.00 0.00 H new ATOM 0 HG LEU A 62 15.367 13.522 -7.483 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.801 11.438 -8.724 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.264 12.876 -9.665 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.516 11.890 -8.873 1.00 0.00 H new ATOM 0 HD21 LEU A 62 15.941 11.460 -6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 62 17.661 11.912 -6.315 1.00 0.00 H new ATOM 0 HD23 LEU A 62 16.507 12.914 -5.404 1.00 0.00 H new ATOM 1003 N LEU A 63 15.072 16.246 -8.084 1.00 0.00 N ATOM 1004 CA LEU A 63 13.655 16.576 -8.186 1.00 0.00 C ATOM 1005 C LEU A 63 13.367 17.347 -9.470 1.00 0.00 C ATOM 1006 O LEU A 63 12.382 17.082 -10.158 1.00 0.00 O ATOM 1007 CB LEU A 63 13.214 17.398 -6.974 1.00 0.00 C ATOM 1008 CG LEU A 63 12.263 16.701 -6.000 1.00 0.00 C ATOM 1009 CD1 LEU A 63 12.939 16.487 -4.655 1.00 0.00 C ATOM 1010 CD2 LEU A 63 10.984 17.507 -5.834 1.00 0.00 C ATOM 0 H LEU A 63 15.530 16.609 -7.248 1.00 0.00 H new ATOM 0 HA LEU A 63 13.091 15.644 -8.209 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.104 17.704 -6.425 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.732 18.307 -7.333 1.00 0.00 H new ATOM 0 HG LEU A 63 12.003 15.726 -6.412 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.247 15.990 -3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.826 15.867 -4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.230 17.451 -4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.320 16.996 -5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.225 18.496 -5.445 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.489 17.607 -6.800 1.00 0.00 H new ATOM 1022 N GLY A 64 14.235 18.303 -9.789 1.00 0.00 N ATOM 1023 CA GLY A 64 14.057 19.096 -10.990 1.00 0.00 C ATOM 1024 C GLY A 64 13.381 20.425 -10.713 1.00 0.00 C ATOM 1025 O GLY A 64 13.352 21.305 -11.573 1.00 0.00 O ATOM 0 H GLY A 64 15.058 18.542 -9.236 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.029 19.275 -11.451 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.462 18.532 -11.709 1.00 0.00 H new ATOM 1029 N ARG A 65 12.835 20.570 -9.510 1.00 0.00 N ATOM 1030 CA ARG A 65 12.154 21.799 -9.124 1.00 0.00 C ATOM 1031 C ARG A 65 13.039 22.649 -8.217 1.00 0.00 C ATOM 1032 O ARG A 65 14.095 22.202 -7.769 1.00 0.00 O ATOM 1033 CB ARG A 65 10.838 21.476 -8.413 1.00 0.00 C ATOM 1034 CG ARG A 65 10.071 20.327 -9.045 1.00 0.00 C ATOM 1035 CD ARG A 65 10.023 20.455 -10.559 1.00 0.00 C ATOM 1036 NE ARG A 65 9.581 19.219 -11.200 1.00 0.00 N ATOM 1037 CZ ARG A 65 8.306 18.862 -11.307 1.00 0.00 C ATOM 1038 NH1 ARG A 65 7.352 19.643 -10.819 1.00 0.00 N ATOM 1039 NH2 ARG A 65 7.983 17.721 -11.903 1.00 0.00 N ATOM 0 H ARG A 65 12.851 19.851 -8.786 1.00 0.00 H new ATOM 0 HA ARG A 65 11.940 22.366 -10.030 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.048 21.232 -7.371 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.208 22.365 -8.412 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.541 19.382 -8.773 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.056 20.304 -8.648 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.349 21.266 -10.833 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.012 20.723 -10.932 1.00 0.00 H new ATOM 0 HE ARG A 65 10.290 18.596 -11.587 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.596 20.521 -10.360 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.374 19.366 -10.903 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.714 17.117 -12.279 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.004 17.448 -11.985 1.00 0.00 H new ATOM 1053 N GLN A 66 12.601 23.875 -7.952 1.00 0.00 N ATOM 1054 CA GLN A 66 13.355 24.788 -7.099 1.00 0.00 C ATOM 1055 C GLN A 66 13.088 24.501 -5.625 1.00 0.00 C ATOM 1056 O GLN A 66 13.987 24.602 -4.791 1.00 0.00 O ATOM 1057 CB GLN A 66 12.993 26.238 -7.423 1.00 0.00 C ATOM 1058 CG GLN A 66 12.898 26.523 -8.913 1.00 0.00 C ATOM 1059 CD GLN A 66 11.495 26.899 -9.348 1.00 0.00 C ATOM 1060 OE1 GLN A 66 10.802 27.654 -8.665 1.00 0.00 O ATOM 1061 NE2 GLN A 66 11.068 26.373 -10.490 1.00 0.00 N ATOM 0 H GLN A 66 11.729 24.260 -8.315 1.00 0.00 H new ATOM 0 HA GLN A 66 14.416 24.634 -7.293 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.039 26.479 -6.954 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.741 26.898 -6.982 1.00 0.00 H new ATOM 0 HG2 GLN A 66 13.582 27.332 -9.168 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.223 25.643 -9.469 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.676 25.752 -11.024 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.132 26.590 -10.833 1.00 0.00 H new ATOM 1070 N SER A 67 11.846 24.144 -5.313 1.00 0.00 N ATOM 1071 CA SER A 67 11.459 23.848 -3.938 1.00 0.00 C ATOM 1072 C SER A 67 10.244 22.926 -3.903 1.00 0.00 C ATOM 1073 O SER A 67 9.687 22.574 -4.943 1.00 0.00 O ATOM 1074 CB SER A 67 11.154 25.142 -3.181 1.00 0.00 C ATOM 1075 OG SER A 67 10.604 26.121 -4.046 1.00 0.00 O ATOM 0 H SER A 67 11.091 24.053 -5.993 1.00 0.00 H new ATOM 0 HA SER A 67 12.293 23.341 -3.453 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.456 24.936 -2.369 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.068 25.525 -2.727 1.00 0.00 H new ATOM 0 HG SER A 67 10.416 26.938 -3.538 1.00 0.00 H new ATOM 1081 N PHE A 68 9.839 22.537 -2.698 1.00 0.00 N ATOM 1082 CA PHE A 68 8.691 21.655 -2.526 1.00 0.00 C ATOM 1083 C PHE A 68 8.327 21.519 -1.050 1.00 0.00 C ATOM 1084 O PHE A 68 9.176 21.678 -0.173 1.00 0.00 O ATOM 1085 CB PHE A 68 8.986 20.276 -3.119 1.00 0.00 C ATOM 1086 CG PHE A 68 10.089 19.543 -2.411 1.00 0.00 C ATOM 1087 CD1 PHE A 68 11.417 19.833 -2.682 1.00 0.00 C ATOM 1088 CD2 PHE A 68 9.798 18.563 -1.475 1.00 0.00 C ATOM 1089 CE1 PHE A 68 12.434 19.158 -2.032 1.00 0.00 C ATOM 1090 CE2 PHE A 68 10.811 17.886 -0.822 1.00 0.00 C ATOM 1091 CZ PHE A 68 12.130 18.185 -1.100 1.00 0.00 C ATOM 0 H PHE A 68 10.289 22.819 -1.827 1.00 0.00 H new ATOM 0 HA PHE A 68 7.844 22.095 -3.053 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.079 19.673 -3.084 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.253 20.391 -4.170 1.00 0.00 H new ATOM 0 HD1 PHE A 68 11.660 20.594 -3.409 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.768 18.326 -1.253 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.465 19.391 -2.253 1.00 0.00 H new ATOM 0 HE2 PHE A 68 10.571 17.124 -0.095 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.923 17.659 -0.589 1.00 0.00 H new ATOM 1101 N SER A 69 7.059 21.223 -0.784 1.00 0.00 N ATOM 1102 CA SER A 69 6.580 21.070 0.585 1.00 0.00 C ATOM 1103 C SER A 69 6.656 19.611 1.026 1.00 0.00 C ATOM 1104 O SER A 69 6.293 18.704 0.277 1.00 0.00 O ATOM 1105 CB SER A 69 5.142 21.576 0.705 1.00 0.00 C ATOM 1106 OG SER A 69 4.678 22.092 -0.531 1.00 0.00 O ATOM 0 H SER A 69 6.344 21.084 -1.499 1.00 0.00 H new ATOM 0 HA SER A 69 7.221 21.663 1.237 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.493 20.763 1.030 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.089 22.351 1.469 1.00 0.00 H new ATOM 0 HG SER A 69 3.756 22.407 -0.428 1.00 0.00 H new ATOM 1112 N VAL A 70 7.132 19.393 2.248 1.00 0.00 N ATOM 1113 CA VAL A 70 7.256 18.046 2.792 1.00 0.00 C ATOM 1114 C VAL A 70 5.897 17.495 3.210 1.00 0.00 C ATOM 1115 O VAL A 70 5.623 16.305 3.056 1.00 0.00 O ATOM 1116 CB VAL A 70 8.205 18.015 4.004 1.00 0.00 C ATOM 1117 CG1 VAL A 70 9.362 18.981 3.802 1.00 0.00 C ATOM 1118 CG2 VAL A 70 7.447 18.339 5.283 1.00 0.00 C ATOM 0 H VAL A 70 7.438 20.133 2.880 1.00 0.00 H new ATOM 0 HA VAL A 70 7.670 17.422 2.000 1.00 0.00 H new ATOM 0 HB VAL A 70 8.615 17.009 4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.022 18.945 4.669 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.920 18.699 2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.975 19.993 3.683 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.133 18.313 6.129 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.007 19.333 5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.657 17.604 5.434 1.00 0.00 H new ATOM 1128 N LYS A 71 5.048 18.369 3.739 1.00 0.00 N ATOM 1129 CA LYS A 71 3.715 17.973 4.179 1.00 0.00 C ATOM 1130 C LYS A 71 2.848 17.569 2.990 1.00 0.00 C ATOM 1131 O LYS A 71 1.745 17.050 3.163 1.00 0.00 O ATOM 1132 CB LYS A 71 3.047 19.116 4.946 1.00 0.00 C ATOM 1133 CG LYS A 71 2.448 18.689 6.274 1.00 0.00 C ATOM 1134 CD LYS A 71 1.708 19.833 6.946 1.00 0.00 C ATOM 1135 CE LYS A 71 2.636 21.002 7.239 1.00 0.00 C ATOM 1136 NZ LYS A 71 2.418 21.554 8.605 1.00 0.00 N ATOM 0 H LYS A 71 5.259 19.358 3.874 1.00 0.00 H new ATOM 0 HA LYS A 71 3.819 17.113 4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.782 19.901 5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.262 19.549 4.326 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.764 17.856 6.114 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.239 18.330 6.932 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.892 20.167 6.305 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.259 19.482 7.875 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.672 20.677 7.139 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.476 21.787 6.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.202 22.192 8.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.522 22.082 8.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.378 20.774 9.292 1.00 0.00 H new ATOM 1150 N ASP A 72 3.355 17.808 1.786 1.00 0.00 N ATOM 1151 CA ASP A 72 2.627 17.467 0.569 1.00 0.00 C ATOM 1152 C ASP A 72 3.474 16.580 -0.339 1.00 0.00 C ATOM 1153 O ASP A 72 4.297 17.056 -1.121 1.00 0.00 O ATOM 1154 CB ASP A 72 2.215 18.737 -0.178 1.00 0.00 C ATOM 1155 CG ASP A 72 1.411 18.438 -1.428 1.00 0.00 C ATOM 1156 OD1 ASP A 72 0.477 17.613 -1.349 1.00 0.00 O ATOM 1157 OD2 ASP A 72 1.717 19.028 -2.485 1.00 0.00 O ATOM 0 H ASP A 72 4.267 18.236 1.626 1.00 0.00 H new ATOM 0 HA ASP A 72 1.731 16.916 0.853 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.627 19.371 0.486 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.107 19.301 -0.450 1.00 0.00 H new ATOM 1162 N PRO A 73 3.268 15.259 -0.235 1.00 0.00 N ATOM 1163 CA PRO A 73 4.003 14.277 -1.038 1.00 0.00 C ATOM 1164 C PRO A 73 3.608 14.321 -2.511 1.00 0.00 C ATOM 1165 O PRO A 73 3.145 13.327 -3.069 1.00 0.00 O ATOM 1166 CB PRO A 73 3.601 12.937 -0.417 1.00 0.00 C ATOM 1167 CG PRO A 73 2.273 13.192 0.207 1.00 0.00 C ATOM 1168 CD PRO A 73 2.303 14.621 0.676 1.00 0.00 C ATOM 0 HA PRO A 73 5.077 14.463 -1.025 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.540 12.153 -1.172 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.330 12.609 0.324 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.468 13.034 -0.510 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.096 12.512 1.040 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.320 15.086 0.610 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.622 14.696 1.716 1.00 0.00 H new ATOM 1176 N SER A 74 3.795 15.480 -3.134 1.00 0.00 N ATOM 1177 CA SER A 74 3.455 15.655 -4.542 1.00 0.00 C ATOM 1178 C SER A 74 4.689 15.490 -5.423 1.00 0.00 C ATOM 1179 O SER A 74 4.835 14.510 -6.155 1.00 0.00 O ATOM 1180 CB SER A 74 2.831 17.033 -4.770 1.00 0.00 C ATOM 1181 OG SER A 74 1.417 16.951 -4.813 1.00 0.00 O ATOM 0 H SER A 74 4.180 16.312 -2.687 1.00 0.00 H new ATOM 0 HA SER A 74 2.731 14.887 -4.814 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.135 17.710 -3.972 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.203 17.454 -5.704 1.00 0.00 H new ATOM 0 HG SER A 74 1.034 17.554 -4.142 1.00 0.00 H new ATOM 1187 N PRO A 75 5.601 16.471 -5.353 1.00 0.00 N ATOM 1188 CA PRO A 75 6.840 16.459 -6.137 1.00 0.00 C ATOM 1189 C PRO A 75 7.814 15.386 -5.664 1.00 0.00 C ATOM 1190 O PRO A 75 8.626 14.883 -6.442 1.00 0.00 O ATOM 1191 CB PRO A 75 7.424 17.853 -5.899 1.00 0.00 C ATOM 1192 CG PRO A 75 6.864 18.280 -4.586 1.00 0.00 C ATOM 1193 CD PRO A 75 5.493 17.668 -4.502 1.00 0.00 C ATOM 0 HA PRO A 75 6.656 16.233 -7.187 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.513 17.827 -5.875 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.139 18.542 -6.694 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.494 17.940 -3.764 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.811 19.367 -4.519 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.231 17.409 -3.476 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.725 18.351 -4.865 1.00 0.00 H new ATOM 1201 N LEU A 76 7.729 15.038 -4.384 1.00 0.00 N ATOM 1202 CA LEU A 76 8.604 14.023 -3.807 1.00 0.00 C ATOM 1203 C LEU A 76 8.462 12.697 -4.548 1.00 0.00 C ATOM 1204 O LEU A 76 9.425 12.191 -5.125 1.00 0.00 O ATOM 1205 CB LEU A 76 8.283 13.829 -2.324 1.00 0.00 C ATOM 1206 CG LEU A 76 9.285 12.996 -1.524 1.00 0.00 C ATOM 1207 CD1 LEU A 76 10.365 13.886 -0.930 1.00 0.00 C ATOM 1208 CD2 LEU A 76 8.575 12.213 -0.430 1.00 0.00 C ATOM 0 H LEU A 76 7.063 15.444 -3.726 1.00 0.00 H new ATOM 0 HA LEU A 76 9.634 14.366 -3.908 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.204 14.811 -1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 76 7.303 13.358 -2.243 1.00 0.00 H new ATOM 0 HG LEU A 76 9.760 12.286 -2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 76 11.069 13.276 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.894 14.401 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.907 14.621 -0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.304 11.626 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.072 12.905 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.839 11.546 -0.879 1.00 0.00 H new ATOM 1220 N TYR A 77 7.256 12.141 -4.529 1.00 0.00 N ATOM 1221 CA TYR A 77 6.989 10.874 -5.199 1.00 0.00 C ATOM 1222 C TYR A 77 7.454 10.916 -6.651 1.00 0.00 C ATOM 1223 O TYR A 77 7.994 9.939 -7.170 1.00 0.00 O ATOM 1224 CB TYR A 77 5.495 10.547 -5.139 1.00 0.00 C ATOM 1225 CG TYR A 77 5.092 9.783 -3.898 1.00 0.00 C ATOM 1226 CD1 TYR A 77 5.355 8.425 -3.778 1.00 0.00 C ATOM 1227 CD2 TYR A 77 4.447 10.421 -2.846 1.00 0.00 C ATOM 1228 CE1 TYR A 77 4.987 7.723 -2.646 1.00 0.00 C ATOM 1229 CE2 TYR A 77 4.076 9.728 -1.710 1.00 0.00 C ATOM 1230 CZ TYR A 77 4.348 8.379 -1.615 1.00 0.00 C ATOM 1231 OH TYR A 77 3.982 7.685 -0.485 1.00 0.00 O ATOM 0 H TYR A 77 6.448 12.547 -4.057 1.00 0.00 H new ATOM 0 HA TYR A 77 7.547 10.094 -4.681 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.926 11.476 -5.184 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.224 9.964 -6.019 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.856 7.908 -4.583 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.232 11.477 -2.917 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.199 6.667 -2.569 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.576 10.239 -0.901 1.00 0.00 H new ATOM 0 HH TYR A 77 3.767 8.317 0.232 1.00 0.00 H new ATOM 1241 N ASP A 78 7.241 12.055 -7.300 1.00 0.00 N ATOM 1242 CA ASP A 78 7.640 12.228 -8.693 1.00 0.00 C ATOM 1243 C ASP A 78 9.143 12.025 -8.856 1.00 0.00 C ATOM 1244 O ASP A 78 9.612 11.615 -9.918 1.00 0.00 O ATOM 1245 CB ASP A 78 7.243 13.618 -9.191 1.00 0.00 C ATOM 1246 CG ASP A 78 6.838 13.616 -10.652 1.00 0.00 C ATOM 1247 OD1 ASP A 78 5.659 13.323 -10.940 1.00 0.00 O ATOM 1248 OD2 ASP A 78 7.700 13.907 -11.507 1.00 0.00 O ATOM 0 H ASP A 78 6.794 12.873 -6.885 1.00 0.00 H new ATOM 0 HA ASP A 78 7.123 11.476 -9.290 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.416 13.994 -8.588 1.00 0.00 H new ATOM 0 HB3 ASP A 78 8.078 14.304 -9.050 1.00 0.00 H new ATOM 1253 N MET A 79 9.893 12.317 -7.799 1.00 0.00 N ATOM 1254 CA MET A 79 11.343 12.167 -7.826 1.00 0.00 C ATOM 1255 C MET A 79 11.745 10.717 -7.571 1.00 0.00 C ATOM 1256 O MET A 79 12.673 10.201 -8.194 1.00 0.00 O ATOM 1257 CB MET A 79 11.992 13.079 -6.783 1.00 0.00 C ATOM 1258 CG MET A 79 13.168 12.439 -6.064 1.00 0.00 C ATOM 1259 SD MET A 79 13.864 13.505 -4.787 1.00 0.00 S ATOM 1260 CE MET A 79 12.727 13.203 -3.437 1.00 0.00 C ATOM 0 H MET A 79 9.521 12.659 -6.913 1.00 0.00 H new ATOM 0 HA MET A 79 11.694 12.454 -8.817 1.00 0.00 H new ATOM 0 HB2 MET A 79 12.329 13.993 -7.271 1.00 0.00 H new ATOM 0 HB3 MET A 79 11.241 13.368 -6.048 1.00 0.00 H new ATOM 0 HG2 MET A 79 12.846 11.500 -5.613 1.00 0.00 H new ATOM 0 HG3 MET A 79 13.943 12.194 -6.790 1.00 0.00 H new ATOM 0 HE1 MET A 79 12.983 13.846 -2.595 1.00 0.00 H new ATOM 0 HE2 MET A 79 11.710 13.419 -3.763 1.00 0.00 H new ATOM 0 HE3 MET A 79 12.795 12.159 -3.130 1.00 0.00 H new ATOM 1270 N LEU A 80 11.041 10.066 -6.652 1.00 0.00 N ATOM 1271 CA LEU A 80 11.324 8.676 -6.314 1.00 0.00 C ATOM 1272 C LEU A 80 11.037 7.758 -7.498 1.00 0.00 C ATOM 1273 O LEU A 80 11.728 6.760 -7.704 1.00 0.00 O ATOM 1274 CB LEU A 80 10.490 8.244 -5.106 1.00 0.00 C ATOM 1275 CG LEU A 80 10.895 8.846 -3.761 1.00 0.00 C ATOM 1276 CD1 LEU A 80 10.592 10.336 -3.730 1.00 0.00 C ATOM 1277 CD2 LEU A 80 10.183 8.131 -2.621 1.00 0.00 C ATOM 0 H LEU A 80 10.270 10.479 -6.127 1.00 0.00 H new ATOM 0 HA LEU A 80 12.382 8.597 -6.065 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.449 8.502 -5.298 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.540 7.158 -5.025 1.00 0.00 H new ATOM 0 HG LEU A 80 11.969 8.712 -3.633 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.887 10.747 -2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 80 11.147 10.837 -4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.524 10.493 -3.880 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.483 8.573 -1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.105 8.233 -2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 80 10.451 7.074 -2.631 1.00 0.00 H new ATOM 1289 N ARG A 81 10.017 8.105 -8.276 1.00 0.00 N ATOM 1290 CA ARG A 81 9.640 7.314 -9.441 1.00 0.00 C ATOM 1291 C ARG A 81 10.862 6.989 -10.295 1.00 0.00 C ATOM 1292 O ARG A 81 11.056 5.846 -10.711 1.00 0.00 O ATOM 1293 CB ARG A 81 8.603 8.063 -10.279 1.00 0.00 C ATOM 1294 CG ARG A 81 9.194 8.774 -11.486 1.00 0.00 C ATOM 1295 CD ARG A 81 8.144 9.594 -12.219 1.00 0.00 C ATOM 1296 NE ARG A 81 8.015 9.193 -13.617 1.00 0.00 N ATOM 1297 CZ ARG A 81 7.298 8.150 -14.020 1.00 0.00 C ATOM 1298 NH1 ARG A 81 6.649 7.406 -13.135 1.00 0.00 N ATOM 1299 NH2 ARG A 81 7.230 7.849 -15.310 1.00 0.00 N ATOM 0 H ARG A 81 9.437 8.929 -8.120 1.00 0.00 H new ATOM 0 HA ARG A 81 9.205 6.379 -9.089 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.845 7.358 -10.619 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.098 8.795 -9.648 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.006 9.425 -11.164 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.625 8.040 -12.167 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.182 9.481 -11.719 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.408 10.650 -12.168 1.00 0.00 H new ATOM 0 HE ARG A 81 8.502 9.744 -14.323 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.700 7.634 -12.142 1.00 0.00 H new ATOM 0 HH12 ARG A 81 6.099 6.606 -13.447 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.729 8.419 -15.994 1.00 0.00 H new ATOM 0 HH22 ARG A 81 6.679 7.048 -15.618 1.00 0.00 H new ATOM 1313 N LYS A 82 11.683 8.001 -10.554 1.00 0.00 N ATOM 1314 CA LYS A 82 12.887 7.824 -11.357 1.00 0.00 C ATOM 1315 C LYS A 82 14.136 7.867 -10.483 1.00 0.00 C ATOM 1316 O LYS A 82 15.254 7.715 -10.974 1.00 0.00 O ATOM 1317 CB LYS A 82 12.968 8.906 -12.436 1.00 0.00 C ATOM 1318 CG LYS A 82 13.921 10.038 -12.091 1.00 0.00 C ATOM 1319 CD LYS A 82 13.456 10.804 -10.864 1.00 0.00 C ATOM 1320 CE LYS A 82 12.597 11.999 -11.246 1.00 0.00 C ATOM 1321 NZ LYS A 82 12.351 12.060 -12.713 1.00 0.00 N ATOM 0 H LYS A 82 11.536 8.953 -10.219 1.00 0.00 H new ATOM 0 HA LYS A 82 12.834 6.846 -11.835 1.00 0.00 H new ATOM 0 HB2 LYS A 82 13.284 8.449 -13.374 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.972 9.318 -12.601 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.918 9.634 -11.913 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.000 10.719 -12.938 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.888 10.140 -10.213 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.322 11.144 -10.296 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.644 11.944 -10.720 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.087 12.917 -10.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 11.667 12.816 -12.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.245 12.257 -13.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.969 11.149 -13.039 1.00 0.00 H new ATOM 1335 N ASN A 83 13.938 8.075 -9.186 1.00 0.00 N ATOM 1336 CA ASN A 83 15.049 8.138 -8.243 1.00 0.00 C ATOM 1337 C ASN A 83 15.150 6.848 -7.434 1.00 0.00 C ATOM 1338 O ASN A 83 16.195 6.197 -7.411 1.00 0.00 O ATOM 1339 CB ASN A 83 14.880 9.332 -7.301 1.00 0.00 C ATOM 1340 CG ASN A 83 16.028 9.460 -6.318 1.00 0.00 C ATOM 1341 OD1 ASN A 83 17.195 9.343 -6.691 1.00 0.00 O ATOM 1342 ND2 ASN A 83 15.700 9.702 -5.054 1.00 0.00 N ATOM 0 H ASN A 83 13.019 8.203 -8.763 1.00 0.00 H new ATOM 0 HA ASN A 83 15.970 8.262 -8.813 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.805 10.247 -7.889 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.944 9.228 -6.751 1.00 0.00 H new ATOM 0 HD21 ASN A 83 16.429 9.798 -4.347 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.719 9.791 -4.790 1.00 0.00 H new ATOM 1349 N LEU A 84 14.057 6.485 -6.773 1.00 0.00 N ATOM 1350 CA LEU A 84 14.020 5.272 -5.963 1.00 0.00 C ATOM 1351 C LEU A 84 13.834 4.037 -6.839 1.00 0.00 C ATOM 1352 O LEU A 84 13.063 4.054 -7.798 1.00 0.00 O ATOM 1353 CB LEU A 84 12.891 5.356 -4.934 1.00 0.00 C ATOM 1354 CG LEU A 84 13.317 5.630 -3.491 1.00 0.00 C ATOM 1355 CD1 LEU A 84 14.145 4.474 -2.951 1.00 0.00 C ATOM 1356 CD2 LEU A 84 14.096 6.934 -3.403 1.00 0.00 C ATOM 0 H LEU A 84 13.184 7.013 -6.782 1.00 0.00 H new ATOM 0 HA LEU A 84 14.973 5.184 -5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 84 12.202 6.142 -5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 84 12.336 4.418 -4.956 1.00 0.00 H new ATOM 0 HG LEU A 84 12.420 5.725 -2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.439 4.686 -1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 84 13.553 3.559 -2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 84 15.037 4.347 -3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.391 7.113 -2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 84 14.987 6.869 -4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 84 13.469 7.756 -3.749 1.00 0.00 H new ATOM 1368 N VAL A 85 14.546 2.966 -6.501 1.00 0.00 N ATOM 1369 CA VAL A 85 14.457 1.721 -7.255 1.00 0.00 C ATOM 1370 C VAL A 85 13.290 0.868 -6.772 1.00 0.00 C ATOM 1371 O VAL A 85 13.192 -0.315 -7.101 1.00 0.00 O ATOM 1372 CB VAL A 85 15.757 0.903 -7.143 1.00 0.00 C ATOM 1373 CG1 VAL A 85 15.605 -0.203 -6.110 1.00 0.00 C ATOM 1374 CG2 VAL A 85 16.145 0.330 -8.497 1.00 0.00 C ATOM 0 H VAL A 85 15.190 2.936 -5.711 1.00 0.00 H new ATOM 0 HA VAL A 85 14.297 1.994 -8.298 1.00 0.00 H new ATOM 0 HB VAL A 85 16.556 1.567 -6.814 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.534 -0.770 -6.045 1.00 0.00 H new ATOM 0 HG12 VAL A 85 15.379 0.235 -5.138 1.00 0.00 H new ATOM 0 HG13 VAL A 85 14.794 -0.868 -6.406 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.066 -0.245 -8.398 1.00 0.00 H new ATOM 0 HG22 VAL A 85 15.348 -0.320 -8.859 1.00 0.00 H new ATOM 0 HG23 VAL A 85 16.299 1.144 -9.206 1.00 0.00 H new ATOM 1384 N THR A 86 12.404 1.476 -5.988 1.00 0.00 N ATOM 1385 CA THR A 86 11.243 0.773 -5.458 1.00 0.00 C ATOM 1386 C THR A 86 10.719 -0.254 -6.456 1.00 0.00 C ATOM 1387 O THR A 86 10.033 0.094 -7.418 1.00 0.00 O ATOM 1388 CB THR A 86 10.108 1.751 -5.102 1.00 0.00 C ATOM 1389 OG1 THR A 86 10.140 2.880 -5.982 1.00 0.00 O ATOM 1390 CG2 THR A 86 10.232 2.222 -3.660 1.00 0.00 C ATOM 0 H THR A 86 12.469 2.454 -5.706 1.00 0.00 H new ATOM 0 HA THR A 86 11.570 0.262 -4.552 1.00 0.00 H new ATOM 0 HB THR A 86 9.158 1.228 -5.217 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.414 3.496 -5.750 1.00 0.00 H new ATOM 0 HG21 THR A 86 9.420 2.912 -3.431 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.178 1.363 -2.991 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.187 2.729 -3.524 1.00 0.00 H new ATOM 1398 N LEU A 87 11.046 -1.520 -6.222 1.00 0.00 N ATOM 1399 CA LEU A 87 10.607 -2.598 -7.101 1.00 0.00 C ATOM 1400 C LEU A 87 9.513 -3.430 -6.438 1.00 0.00 C ATOM 1401 O LEU A 87 9.782 -4.218 -5.532 1.00 0.00 O ATOM 1402 CB LEU A 87 11.790 -3.494 -7.471 1.00 0.00 C ATOM 1403 CG LEU A 87 12.667 -3.963 -6.310 1.00 0.00 C ATOM 1404 CD1 LEU A 87 13.153 -5.384 -6.547 1.00 0.00 C ATOM 1405 CD2 LEU A 87 13.845 -3.020 -6.116 1.00 0.00 C ATOM 0 H LEU A 87 11.613 -1.825 -5.431 1.00 0.00 H new ATOM 0 HA LEU A 87 10.199 -2.151 -8.008 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.406 -4.373 -7.988 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.419 -2.956 -8.181 1.00 0.00 H new ATOM 0 HG LEU A 87 12.066 -3.954 -5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.776 -5.700 -5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.296 -6.052 -6.634 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.736 -5.420 -7.467 1.00 0.00 H new ATOM 0 HD21 LEU A 87 14.458 -3.370 -5.285 1.00 0.00 H new ATOM 0 HD22 LEU A 87 14.446 -2.996 -7.025 1.00 0.00 H new ATOM 0 HD23 LEU A 87 13.477 -2.018 -5.898 1.00 0.00 H new ATOM 1417 N ALA A 88 8.279 -3.249 -6.898 1.00 0.00 N ATOM 1418 CA ALA A 88 7.146 -3.985 -6.353 1.00 0.00 C ATOM 1419 C ALA A 88 5.828 -3.307 -6.711 1.00 0.00 C ATOM 1420 O ALA A 88 5.165 -2.722 -5.853 1.00 0.00 O ATOM 1421 CB ALA A 88 7.280 -4.120 -4.844 1.00 0.00 C ATOM 0 H ALA A 88 8.039 -2.599 -7.647 1.00 0.00 H new ATOM 0 HA ALA A 88 7.144 -4.981 -6.796 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.426 -4.672 -4.451 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.199 -4.656 -4.607 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.311 -3.129 -4.391 1.00 0.00 H new ATOM 1427 N THR A 89 5.452 -3.387 -7.983 1.00 0.00 N ATOM 1428 CA THR A 89 4.214 -2.779 -8.455 1.00 0.00 C ATOM 1429 C THR A 89 3.998 -1.409 -7.822 1.00 0.00 C ATOM 1430 O THR A 89 4.956 -0.648 -7.694 1.00 0.00 O ATOM 1431 CB THR A 89 2.997 -3.672 -8.146 1.00 0.00 C ATOM 1432 OG1 THR A 89 3.265 -5.021 -8.544 1.00 0.00 O ATOM 1433 CG2 THR A 89 1.757 -3.163 -8.866 1.00 0.00 C ATOM 0 H THR A 89 5.988 -3.867 -8.706 1.00 0.00 H new ATOM 0 HA THR A 89 4.309 -2.666 -9.535 1.00 0.00 H new ATOM 0 HB THR A 89 2.814 -3.640 -7.072 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.487 -5.582 -8.343 1.00 0.00 H new ATOM 0 HG21 THR A 89 0.910 -3.809 -8.633 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.538 -2.146 -8.540 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.933 -3.169 -9.942 1.00 0.00 H new TER 1441 THR A 89 ATOM 1442 N SER B 115 1.583 26.689 16.039 1.00 0.00 N ATOM 1443 CA SER B 115 2.388 27.823 15.602 1.00 0.00 C ATOM 1444 C SER B 115 3.803 27.380 15.243 1.00 0.00 C ATOM 1445 O SER B 115 4.526 28.086 14.542 1.00 0.00 O ATOM 1446 CB SER B 115 2.439 28.891 16.697 1.00 0.00 C ATOM 1447 OG SER B 115 2.902 30.128 16.182 1.00 0.00 O ATOM 0 HA SER B 115 1.922 28.246 14.712 1.00 0.00 H new ATOM 0 HB2 SER B 115 1.447 29.022 17.128 1.00 0.00 H new ATOM 0 HB3 SER B 115 3.095 28.560 17.502 1.00 0.00 H new ATOM 0 HG SER B 115 2.924 30.794 16.901 1.00 0.00 H new ATOM 1453 N GLN B 116 4.189 26.205 15.730 1.00 0.00 N ATOM 1454 CA GLN B 116 5.517 25.667 15.461 1.00 0.00 C ATOM 1455 C GLN B 116 5.440 24.476 14.511 1.00 0.00 C ATOM 1456 O GLN B 116 4.429 23.778 14.458 1.00 0.00 O ATOM 1457 CB GLN B 116 6.195 25.249 16.767 1.00 0.00 C ATOM 1458 CG GLN B 116 7.709 25.158 16.665 1.00 0.00 C ATOM 1459 CD GLN B 116 8.416 25.962 17.738 1.00 0.00 C ATOM 1460 OE1 GLN B 116 9.118 25.408 18.584 1.00 0.00 O ATOM 1461 NE2 GLN B 116 8.233 27.277 17.709 1.00 0.00 N ATOM 0 H GLN B 116 3.602 25.608 16.312 1.00 0.00 H new ATOM 0 HA GLN B 116 6.109 26.450 14.986 1.00 0.00 H new ATOM 0 HB2 GLN B 116 5.934 25.964 17.547 1.00 0.00 H new ATOM 0 HB3 GLN B 116 5.801 24.281 17.077 1.00 0.00 H new ATOM 0 HG2 GLN B 116 8.012 24.114 16.740 1.00 0.00 H new ATOM 0 HG3 GLN B 116 8.025 25.512 15.684 1.00 0.00 H new ATOM 0 HE21 GLN B 116 7.643 27.694 16.989 1.00 0.00 H new ATOM 0 HE22 GLN B 116 8.683 27.870 18.406 1.00 0.00 H new ATOM 1470 N GLU B 117 6.516 24.252 13.763 1.00 0.00 N ATOM 1471 CA GLU B 117 6.569 23.146 12.813 1.00 0.00 C ATOM 1472 C GLU B 117 7.966 22.535 12.767 1.00 0.00 C ATOM 1473 O GLU B 117 8.962 23.244 12.617 1.00 0.00 O ATOM 1474 CB GLU B 117 6.162 23.623 11.418 1.00 0.00 C ATOM 1475 CG GLU B 117 5.343 24.903 11.427 1.00 0.00 C ATOM 1476 CD GLU B 117 5.054 25.421 10.031 1.00 0.00 C ATOM 1477 OE1 GLU B 117 5.766 25.017 9.088 1.00 0.00 O ATOM 1478 OE2 GLU B 117 4.114 26.230 9.882 1.00 0.00 O ATOM 0 H GLU B 117 7.362 24.821 13.796 1.00 0.00 H new ATOM 0 HA GLU B 117 5.868 22.381 13.146 1.00 0.00 H new ATOM 0 HB2 GLU B 117 7.060 23.781 10.821 1.00 0.00 H new ATOM 0 HB3 GLU B 117 5.587 22.837 10.928 1.00 0.00 H new ATOM 0 HG2 GLU B 117 4.401 24.724 11.946 1.00 0.00 H new ATOM 0 HG3 GLU B 117 5.877 25.668 11.991 1.00 0.00 H new ATOM 1485 N THR B 118 8.033 21.214 12.896 1.00 0.00 N ATOM 1486 CA THR B 118 9.307 20.506 12.871 1.00 0.00 C ATOM 1487 C THR B 118 9.275 19.353 11.875 1.00 0.00 C ATOM 1488 O THR B 118 8.256 18.677 11.724 1.00 0.00 O ATOM 1489 CB THR B 118 9.673 19.958 14.263 1.00 0.00 C ATOM 1490 OG1 THR B 118 10.318 20.976 15.036 1.00 0.00 O ATOM 1491 CG2 THR B 118 10.587 18.748 14.145 1.00 0.00 C ATOM 0 H THR B 118 7.219 20.612 13.019 1.00 0.00 H new ATOM 0 HA THR B 118 10.064 21.228 12.563 1.00 0.00 H new ATOM 0 HB THR B 118 8.754 19.651 14.762 1.00 0.00 H new ATOM 0 HG1 THR B 118 10.546 20.620 15.920 1.00 0.00 H new ATOM 0 HG21 THR B 118 10.832 18.379 15.141 1.00 0.00 H new ATOM 0 HG22 THR B 118 10.082 17.964 13.581 1.00 0.00 H new ATOM 0 HG23 THR B 118 11.503 19.033 13.628 1.00 0.00 H new ATOM 1499 N PHE B 119 10.397 19.131 11.198 1.00 0.00 N ATOM 1500 CA PHE B 119 10.497 18.058 10.215 1.00 0.00 C ATOM 1501 C PHE B 119 9.933 16.754 10.774 1.00 0.00 C ATOM 1502 O PHE B 119 8.997 16.181 10.217 1.00 0.00 O ATOM 1503 CB PHE B 119 11.954 17.857 9.795 1.00 0.00 C ATOM 1504 CG PHE B 119 12.148 17.810 8.306 1.00 0.00 C ATOM 1505 CD1 PHE B 119 11.102 17.453 7.470 1.00 0.00 C ATOM 1506 CD2 PHE B 119 13.374 18.123 7.743 1.00 0.00 C ATOM 1507 CE1 PHE B 119 11.278 17.408 6.099 1.00 0.00 C ATOM 1508 CE2 PHE B 119 13.555 18.080 6.373 1.00 0.00 C ATOM 1509 CZ PHE B 119 12.505 17.723 5.550 1.00 0.00 C ATOM 0 H PHE B 119 11.249 19.680 11.312 1.00 0.00 H new ATOM 0 HA PHE B 119 9.910 18.343 9.342 1.00 0.00 H new ATOM 0 HB2 PHE B 119 12.557 18.666 10.207 1.00 0.00 H new ATOM 0 HB3 PHE B 119 12.325 16.929 10.231 1.00 0.00 H new ATOM 0 HD1 PHE B 119 10.139 17.207 7.894 1.00 0.00 H new ATOM 0 HD2 PHE B 119 14.198 18.404 8.382 1.00 0.00 H new ATOM 0 HE1 PHE B 119 10.456 17.126 5.458 1.00 0.00 H new ATOM 0 HE2 PHE B 119 14.517 18.325 5.947 1.00 0.00 H new ATOM 0 HZ PHE B 119 12.643 17.690 4.479 1.00 0.00 H new ATOM 1519 N SER B 120 10.511 16.292 11.878 1.00 0.00 N ATOM 1520 CA SER B 120 10.070 15.054 12.511 1.00 0.00 C ATOM 1521 C SER B 120 8.576 15.101 12.814 1.00 0.00 C ATOM 1522 O SER B 120 7.937 14.066 13.002 1.00 0.00 O ATOM 1523 CB SER B 120 10.857 14.807 13.800 1.00 0.00 C ATOM 1524 OG SER B 120 12.028 14.052 13.546 1.00 0.00 O ATOM 0 H SER B 120 11.285 16.756 12.353 1.00 0.00 H new ATOM 0 HA SER B 120 10.256 14.234 11.818 1.00 0.00 H new ATOM 0 HB2 SER B 120 11.127 15.761 14.253 1.00 0.00 H new ATOM 0 HB3 SER B 120 10.229 14.279 14.518 1.00 0.00 H new ATOM 0 HG SER B 120 12.514 13.909 14.385 1.00 0.00 H new ATOM 1530 N ASP B 121 8.026 16.310 12.860 1.00 0.00 N ATOM 1531 CA ASP B 121 6.607 16.494 13.139 1.00 0.00 C ATOM 1532 C ASP B 121 5.771 16.254 11.886 1.00 0.00 C ATOM 1533 O ASP B 121 4.844 15.442 11.891 1.00 0.00 O ATOM 1534 CB ASP B 121 6.350 17.903 13.677 1.00 0.00 C ATOM 1535 CG ASP B 121 5.823 17.893 15.099 1.00 0.00 C ATOM 1536 OD1 ASP B 121 6.368 17.134 15.928 1.00 0.00 O ATOM 1537 OD2 ASP B 121 4.867 18.643 15.382 1.00 0.00 O ATOM 0 H ASP B 121 8.542 17.177 12.708 1.00 0.00 H new ATOM 0 HA ASP B 121 6.313 15.766 13.895 1.00 0.00 H new ATOM 0 HB2 ASP B 121 7.276 18.477 13.640 1.00 0.00 H new ATOM 0 HB3 ASP B 121 5.634 18.410 13.031 1.00 0.00 H new ATOM 1542 N LEU B 122 6.103 16.965 10.815 1.00 0.00 N ATOM 1543 CA LEU B 122 5.382 16.831 9.554 1.00 0.00 C ATOM 1544 C LEU B 122 5.895 15.635 8.758 1.00 0.00 C ATOM 1545 O LEU B 122 5.115 14.792 8.313 1.00 0.00 O ATOM 1546 CB LEU B 122 5.523 18.108 8.724 1.00 0.00 C ATOM 1547 CG LEU B 122 4.824 19.350 9.279 1.00 0.00 C ATOM 1548 CD1 LEU B 122 4.626 19.224 10.781 1.00 0.00 C ATOM 1549 CD2 LEU B 122 5.620 20.603 8.947 1.00 0.00 C ATOM 0 H LEU B 122 6.867 17.640 10.794 1.00 0.00 H new ATOM 0 HA LEU B 122 4.329 16.668 9.782 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.584 18.331 8.615 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.134 17.913 7.725 1.00 0.00 H new ATOM 0 HG LEU B 122 3.844 19.432 8.810 1.00 0.00 H new ATOM 0 HD11 LEU B 122 4.127 20.117 11.158 1.00 0.00 H new ATOM 0 HD12 LEU B 122 4.013 18.348 10.995 1.00 0.00 H new ATOM 0 HD13 LEU B 122 5.595 19.117 11.268 1.00 0.00 H new ATOM 0 HD21 LEU B 122 5.108 21.477 9.350 1.00 0.00 H new ATOM 0 HD22 LEU B 122 6.614 20.530 9.388 1.00 0.00 H new ATOM 0 HD23 LEU B 122 5.709 20.701 7.865 1.00 0.00 H new ATOM 1561 N TRP B 123 7.210 15.566 8.585 1.00 0.00 N ATOM 1562 CA TRP B 123 7.827 14.471 7.845 1.00 0.00 C ATOM 1563 C TRP B 123 7.070 13.167 8.069 1.00 0.00 C ATOM 1564 O TRP B 123 6.578 12.553 7.123 1.00 0.00 O ATOM 1565 CB TRP B 123 9.289 14.305 8.265 1.00 0.00 C ATOM 1566 CG TRP B 123 10.113 13.554 7.263 1.00 0.00 C ATOM 1567 CD1 TRP B 123 10.820 12.406 7.479 1.00 0.00 C ATOM 1568 CD2 TRP B 123 10.316 13.901 5.889 1.00 0.00 C ATOM 1569 NE1 TRP B 123 11.451 12.018 6.322 1.00 0.00 N ATOM 1570 CE2 TRP B 123 11.157 12.917 5.331 1.00 0.00 C ATOM 1571 CE3 TRP B 123 9.868 14.944 5.074 1.00 0.00 C ATOM 1572 CZ2 TRP B 123 11.558 12.950 3.999 1.00 0.00 C ATOM 1573 CZ3 TRP B 123 10.267 14.975 3.752 1.00 0.00 C ATOM 1574 CH2 TRP B 123 11.104 13.983 3.224 1.00 0.00 C ATOM 0 H TRP B 123 7.869 16.255 8.947 1.00 0.00 H new ATOM 0 HA TRP B 123 7.786 14.715 6.783 1.00 0.00 H new ATOM 0 HB2 TRP B 123 9.729 15.290 8.421 1.00 0.00 H new ATOM 0 HB3 TRP B 123 9.328 13.783 9.221 1.00 0.00 H new ATOM 0 HD1 TRP B 123 10.875 11.880 8.421 1.00 0.00 H new ATOM 0 HE1 TRP B 123 12.043 11.194 6.218 1.00 0.00 H new ATOM 0 HE3 TRP B 123 9.221 15.712 5.471 1.00 0.00 H new ATOM 0 HZ2 TRP B 123 12.205 12.187 3.591 1.00 0.00 H new ATOM 0 HZ3 TRP B 123 9.928 15.778 3.114 1.00 0.00 H new ATOM 0 HH2 TRP B 123 11.397 14.034 2.186 1.00 0.00 H new ATOM 1585 N LYS B 124 6.978 12.750 9.327 1.00 0.00 N ATOM 1586 CA LYS B 124 6.279 11.519 9.676 1.00 0.00 C ATOM 1587 C LYS B 124 4.934 11.436 8.963 1.00 0.00 C ATOM 1588 O LYS B 124 4.559 10.385 8.442 1.00 0.00 O ATOM 1589 CB LYS B 124 6.071 11.438 11.190 1.00 0.00 C ATOM 1590 CG LYS B 124 5.079 12.458 11.723 1.00 0.00 C ATOM 1591 CD LYS B 124 3.645 11.999 11.521 1.00 0.00 C ATOM 1592 CE LYS B 124 2.936 11.782 12.849 1.00 0.00 C ATOM 1593 NZ LYS B 124 2.432 13.060 13.424 1.00 0.00 N ATOM 0 H LYS B 124 7.379 13.247 10.122 1.00 0.00 H new ATOM 0 HA LYS B 124 6.894 10.678 9.354 1.00 0.00 H new ATOM 0 HB2 LYS B 124 5.724 10.437 11.448 1.00 0.00 H new ATOM 0 HB3 LYS B 124 7.030 11.581 11.688 1.00 0.00 H new ATOM 0 HG2 LYS B 124 5.262 12.625 12.784 1.00 0.00 H new ATOM 0 HG3 LYS B 124 5.231 13.413 11.219 1.00 0.00 H new ATOM 0 HD2 LYS B 124 3.103 12.742 10.935 1.00 0.00 H new ATOM 0 HD3 LYS B 124 3.636 11.072 10.947 1.00 0.00 H new ATOM 0 HE2 LYS B 124 2.103 11.094 12.708 1.00 0.00 H new ATOM 0 HE3 LYS B 124 3.621 11.312 13.554 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 1.955 12.870 14.328 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 3.230 13.708 13.583 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 1.758 13.496 12.763 1.00 0.00 H new ATOM 1607 N LEU B 125 4.211 12.551 8.941 1.00 0.00 N ATOM 1608 CA LEU B 125 2.907 12.605 8.289 1.00 0.00 C ATOM 1609 C LEU B 125 2.990 12.075 6.861 1.00 0.00 C ATOM 1610 O LEU B 125 2.109 11.344 6.406 1.00 0.00 O ATOM 1611 CB LEU B 125 2.378 14.040 8.282 1.00 0.00 C ATOM 1612 CG LEU B 125 0.859 14.194 8.199 1.00 0.00 C ATOM 1613 CD1 LEU B 125 0.181 13.407 9.310 1.00 0.00 C ATOM 1614 CD2 LEU B 125 0.467 15.663 8.269 1.00 0.00 C ATOM 0 H LEU B 125 4.506 13.430 9.367 1.00 0.00 H new ATOM 0 HA LEU B 125 2.220 11.973 8.852 1.00 0.00 H new ATOM 0 HB2 LEU B 125 2.725 14.538 9.187 1.00 0.00 H new ATOM 0 HB3 LEU B 125 2.823 14.566 7.438 1.00 0.00 H new ATOM 0 HG LEU B 125 0.525 13.794 7.242 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -0.900 13.529 9.235 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.435 12.351 9.215 1.00 0.00 H new ATOM 0 HD13 LEU B 125 0.521 13.776 10.277 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -0.618 15.753 8.208 1.00 0.00 H new ATOM 0 HD22 LEU B 125 0.815 16.088 9.211 1.00 0.00 H new ATOM 0 HD23 LEU B 125 0.923 16.201 7.438 1.00 0.00 H new ATOM 1626 N LEU B 126 4.055 12.446 6.158 1.00 0.00 N ATOM 1627 CA LEU B 126 4.255 12.006 4.782 1.00 0.00 C ATOM 1628 C LEU B 126 3.994 10.510 4.645 1.00 0.00 C ATOM 1629 O LEU B 126 4.804 9.674 5.045 1.00 0.00 O ATOM 1630 CB LEU B 126 5.678 12.331 4.323 1.00 0.00 C ATOM 1631 CG LEU B 126 5.838 12.707 2.850 1.00 0.00 C ATOM 1632 CD1 LEU B 126 4.764 13.698 2.431 1.00 0.00 C ATOM 1633 CD2 LEU B 126 7.225 13.280 2.594 1.00 0.00 C ATOM 0 H LEU B 126 4.793 13.051 6.519 1.00 0.00 H new ATOM 0 HA LEU B 126 3.545 12.539 4.150 1.00 0.00 H new ATOM 0 HB2 LEU B 126 6.055 13.154 4.930 1.00 0.00 H new ATOM 0 HB3 LEU B 126 6.311 11.467 4.528 1.00 0.00 H new ATOM 0 HG LEU B 126 5.723 11.804 2.250 1.00 0.00 H new ATOM 0 HD11 LEU B 126 4.895 13.953 1.379 1.00 0.00 H new ATOM 0 HD12 LEU B 126 3.780 13.252 2.576 1.00 0.00 H new ATOM 0 HD13 LEU B 126 4.846 14.601 3.036 1.00 0.00 H new ATOM 0 HD21 LEU B 126 7.322 13.542 1.540 1.00 0.00 H new ATOM 0 HD22 LEU B 126 7.369 14.171 3.204 1.00 0.00 H new ATOM 0 HD23 LEU B 126 7.979 12.537 2.854 1.00 0.00 H new ATOM 1645 N PRO B 127 2.836 10.162 4.064 1.00 0.00 N ATOM 1646 CA PRO B 127 2.442 8.765 3.858 1.00 0.00 C ATOM 1647 C PRO B 127 3.295 8.072 2.800 1.00 0.00 C ATOM 1648 O PRO B 127 3.423 8.559 1.677 1.00 0.00 O ATOM 1649 CB PRO B 127 0.989 8.871 3.388 1.00 0.00 C ATOM 1650 CG PRO B 127 0.887 10.227 2.779 1.00 0.00 C ATOM 1651 CD PRO B 127 1.822 11.105 3.563 1.00 0.00 C ATOM 0 HA PRO B 127 2.569 8.169 4.761 1.00 0.00 H new ATOM 0 HB2 PRO B 127 0.749 8.092 2.664 1.00 0.00 H new ATOM 0 HB3 PRO B 127 0.294 8.757 4.220 1.00 0.00 H new ATOM 0 HG2 PRO B 127 1.165 10.203 1.725 1.00 0.00 H new ATOM 0 HG3 PRO B 127 -0.135 10.602 2.830 1.00 0.00 H new ATOM 0 HD2 PRO B 127 2.267 11.878 2.937 1.00 0.00 H new ATOM 0 HD3 PRO B 127 1.307 11.613 4.379 1.00 0.00 H new ATOM 1659 N GLU B 128 3.875 6.934 3.166 1.00 0.00 N ATOM 1660 CA GLU B 128 4.716 6.175 2.247 1.00 0.00 C ATOM 1661 C GLU B 128 3.865 5.354 1.283 1.00 0.00 C ATOM 1662 O GLU B 128 4.380 4.754 0.341 1.00 0.00 O ATOM 1663 CB GLU B 128 5.658 5.254 3.025 1.00 0.00 C ATOM 1664 CG GLU B 128 5.918 5.712 4.450 1.00 0.00 C ATOM 1665 CD GLU B 128 5.036 5.005 5.461 1.00 0.00 C ATOM 1666 OE1 GLU B 128 3.823 4.867 5.196 1.00 0.00 O ATOM 1667 OE2 GLU B 128 5.558 4.590 6.517 1.00 0.00 O ATOM 0 H GLU B 128 3.778 6.517 4.092 1.00 0.00 H new ATOM 0 HA GLU B 128 5.309 6.883 1.668 1.00 0.00 H new ATOM 0 HB2 GLU B 128 5.235 4.250 3.047 1.00 0.00 H new ATOM 0 HB3 GLU B 128 6.608 5.188 2.495 1.00 0.00 H new ATOM 0 HG2 GLU B 128 6.964 5.535 4.699 1.00 0.00 H new ATOM 0 HG3 GLU B 128 5.752 6.787 4.518 1.00 0.00 H new ATOM 1674 N ASN B 129 2.558 5.333 1.527 1.00 0.00 N ATOM 1675 CA ASN B 129 1.635 4.585 0.682 1.00 0.00 C ATOM 1676 C ASN B 129 2.252 3.262 0.239 1.00 0.00 C ATOM 1677 O ASN B 129 2.441 3.022 -0.953 1.00 0.00 O ATOM 1678 CB ASN B 129 1.247 5.415 -0.544 1.00 0.00 C ATOM 1679 CG ASN B 129 0.399 6.619 -0.182 1.00 0.00 C ATOM 1680 OD1 ASN B 129 0.900 7.739 -0.085 1.00 0.00 O ATOM 1681 ND2 ASN B 129 -0.894 6.392 0.021 1.00 0.00 N ATOM 0 H ASN B 129 2.115 5.825 2.303 1.00 0.00 H new ATOM 0 HA ASN B 129 0.740 4.370 1.266 1.00 0.00 H new ATOM 0 HB2 ASN B 129 2.151 5.750 -1.053 1.00 0.00 H new ATOM 0 HB3 ASN B 129 0.700 4.786 -1.247 1.00 0.00 H new ATOM 0 HD21 ASN B 129 -1.514 7.163 0.268 1.00 0.00 H new ATOM 0 HD22 ASN B 129 -1.266 5.447 -0.070 1.00 0.00 H new TER 1688 ASN B 129