USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 741 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 65 HIS : no HD1:sc= 1.15 K(o=1.6,f=-4.8!) USER MOD Set 1.2: B 95 THR OG1 : rot -32:sc= 0.497 USER MOD Set 2.1: A 10 CYS SG : rot 180:sc= 0.638 USER MOD Set 2.2: A 81 THR OG1 : rot -27:sc= 0.736 USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.056 (180deg=0) USER MOD Single : A 2 SER OG : rot 41:sc= 0.0503 USER MOD Single : A 3 HIS : no HD1:sc=-0.00121 X(o=-0.0012,f=-0.069) USER MOD Single : A 4 MET CE :methyl -123:sc= -0.0542 (180deg=-0.604) USER MOD Single : A 8 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.1) USER MOD Single : A 14 GLN : amide:sc= -0.0958 X(o=-0.096,f=-0.0021) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc=-0.000166 X(o=-0.00017,f=0) USER MOD Single : A 23 THR OG1 : rot -160:sc=-0.00366 USER MOD Single : A 25 SER OG : rot 180:sc= -0.114 USER MOD Single : A 28 ASN : amide:sc= -0.394 X(o=-0.39,f=-0.1) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0269 X(o=-0.027,f=0) USER MOD Single : A 48 THR OG1 : rot 38:sc= 0.45 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0.813 K(o=0.81,f=-6.5!) USER MOD Single : A 58 THR OG1 : rot 110:sc= 0.00556 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 94:sc= 0.541 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -145:sc= -0.718 (180deg=-2.49!) USER MOD Single : A 74 SER OG : rot 90:sc= 0.226 USER MOD Single : A 76 SER OG : rot 180:sc=-5.87e-05 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -1.85! C(o=-1.9!,f=-1.8!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : B 92 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.500 9.961 -17.807 1.00 0.00 N ATOM 2 CA GLY A 1 23.311 9.717 -16.940 1.00 0.00 C ATOM 3 C GLY A 1 22.237 8.894 -17.630 1.00 0.00 C ATOM 4 O GLY A 1 22.276 8.706 -18.848 1.00 0.00 O ATOM 0 H1 GLY A 1 25.301 9.393 -17.465 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.277 9.691 -18.786 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.752 10.969 -17.775 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.628 9.204 -16.032 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.888 10.674 -16.634 1.00 0.00 H new ATOM 10 N SER A 2 21.277 8.403 -16.848 1.00 0.00 N ATOM 11 CA SER A 2 20.183 7.591 -17.380 1.00 0.00 C ATOM 12 C SER A 2 18.972 8.455 -17.739 1.00 0.00 C ATOM 13 O SER A 2 18.808 9.559 -17.214 1.00 0.00 O ATOM 14 CB SER A 2 19.781 6.519 -16.363 1.00 0.00 C ATOM 15 OG SER A 2 19.894 7.001 -15.033 1.00 0.00 O ATOM 0 H SER A 2 21.234 8.554 -15.840 1.00 0.00 H new ATOM 0 HA SER A 2 20.535 7.108 -18.292 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.755 6.203 -16.551 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.414 5.640 -16.489 1.00 0.00 H new ATOM 0 HG SER A 2 19.566 7.924 -14.990 1.00 0.00 H new ATOM 21 N HIS A 3 18.126 7.945 -18.637 1.00 0.00 N ATOM 22 CA HIS A 3 16.932 8.668 -19.067 1.00 0.00 C ATOM 23 C HIS A 3 15.745 7.717 -19.248 1.00 0.00 C ATOM 24 O HIS A 3 15.690 6.955 -20.216 1.00 0.00 O ATOM 25 CB HIS A 3 17.210 9.422 -20.373 1.00 0.00 C ATOM 26 CG HIS A 3 16.823 10.868 -20.324 1.00 0.00 C ATOM 27 ND1 HIS A 3 15.609 11.308 -19.836 1.00 0.00 N ATOM 28 CD2 HIS A 3 17.497 11.979 -20.704 1.00 0.00 C ATOM 29 CE1 HIS A 3 15.554 12.625 -19.921 1.00 0.00 C ATOM 30 NE2 HIS A 3 16.688 13.057 -20.440 1.00 0.00 N ATOM 0 H HIS A 3 18.248 7.034 -19.079 1.00 0.00 H new ATOM 0 HA HIS A 3 16.674 9.387 -18.289 1.00 0.00 H new ATOM 0 HB2 HIS A 3 18.272 9.346 -20.608 1.00 0.00 H new ATOM 0 HB3 HIS A 3 16.669 8.937 -21.185 1.00 0.00 H new ATOM 0 HD2 HIS A 3 18.487 12.012 -21.135 1.00 0.00 H new ATOM 0 HE1 HIS A 3 14.722 13.243 -19.617 1.00 0.00 H new ATOM 0 HE2 HIS A 3 16.925 14.033 -20.616 1.00 0.00 H new ATOM 39 N MET A 4 14.799 7.773 -18.307 1.00 0.00 N ATOM 40 CA MET A 4 13.608 6.925 -18.350 1.00 0.00 C ATOM 41 C MET A 4 12.343 7.769 -18.499 1.00 0.00 C ATOM 42 O MET A 4 12.302 8.924 -18.068 1.00 0.00 O ATOM 43 CB MET A 4 13.522 6.073 -17.078 1.00 0.00 C ATOM 44 CG MET A 4 12.575 4.888 -17.193 1.00 0.00 C ATOM 45 SD MET A 4 13.127 3.665 -18.400 1.00 0.00 S ATOM 46 CE MET A 4 11.556 3.008 -18.958 1.00 0.00 C ATOM 0 H MET A 4 14.837 8.400 -17.503 1.00 0.00 H new ATOM 0 HA MET A 4 13.687 6.269 -19.217 1.00 0.00 H new ATOM 0 HB2 MET A 4 14.518 5.707 -16.830 1.00 0.00 H new ATOM 0 HB3 MET A 4 13.199 6.705 -16.250 1.00 0.00 H new ATOM 0 HG2 MET A 4 12.478 4.411 -16.218 1.00 0.00 H new ATOM 0 HG3 MET A 4 11.584 5.246 -17.473 1.00 0.00 H new ATOM 0 HE1 MET A 4 11.535 1.930 -18.799 1.00 0.00 H new ATOM 0 HE2 MET A 4 10.747 3.473 -18.395 1.00 0.00 H new ATOM 0 HE3 MET A 4 11.429 3.221 -20.019 1.00 0.00 H new ATOM 56 N GLY A 5 11.313 7.183 -19.112 1.00 0.00 N ATOM 57 CA GLY A 5 10.058 7.890 -19.310 1.00 0.00 C ATOM 58 C GLY A 5 8.973 7.454 -18.342 1.00 0.00 C ATOM 59 O GLY A 5 7.843 7.194 -18.754 1.00 0.00 O ATOM 0 H GLY A 5 11.327 6.230 -19.475 1.00 0.00 H new ATOM 0 HA2 GLY A 5 10.229 8.961 -19.198 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.713 7.728 -20.331 1.00 0.00 H new ATOM 63 N LEU A 6 9.316 7.387 -17.051 1.00 0.00 N ATOM 64 CA LEU A 6 8.369 6.993 -16.010 1.00 0.00 C ATOM 65 C LEU A 6 7.852 5.569 -16.235 1.00 0.00 C ATOM 66 O LEU A 6 7.027 5.327 -17.118 1.00 0.00 O ATOM 67 CB LEU A 6 7.199 7.980 -15.964 1.00 0.00 C ATOM 68 CG LEU A 6 7.308 9.082 -14.906 1.00 0.00 C ATOM 69 CD1 LEU A 6 7.534 8.481 -13.527 1.00 0.00 C ATOM 70 CD2 LEU A 6 8.425 10.056 -15.260 1.00 0.00 C ATOM 0 H LEU A 6 10.250 7.603 -16.703 1.00 0.00 H new ATOM 0 HA LEU A 6 8.892 7.011 -15.054 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.103 8.449 -16.943 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.281 7.420 -15.787 1.00 0.00 H new ATOM 0 HG LEU A 6 6.368 9.633 -14.887 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.609 9.280 -12.790 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.698 7.829 -13.273 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.458 7.902 -13.529 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.487 10.832 -14.497 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.373 9.520 -15.310 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.215 10.514 -16.227 1.00 0.00 H new ATOM 82 N VAL A 7 8.342 4.628 -15.427 1.00 0.00 N ATOM 83 CA VAL A 7 7.929 3.229 -15.540 1.00 0.00 C ATOM 84 C VAL A 7 7.047 2.807 -14.360 1.00 0.00 C ATOM 85 O VAL A 7 7.403 3.007 -13.197 1.00 0.00 O ATOM 86 CB VAL A 7 9.150 2.286 -15.639 1.00 0.00 C ATOM 87 CG1 VAL A 7 10.001 2.351 -14.375 1.00 0.00 C ATOM 88 CG2 VAL A 7 8.703 0.856 -15.921 1.00 0.00 C ATOM 0 H VAL A 7 9.023 4.808 -14.690 1.00 0.00 H new ATOM 0 HA VAL A 7 7.347 3.146 -16.458 1.00 0.00 H new ATOM 0 HB VAL A 7 9.768 2.622 -16.472 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.852 1.677 -14.474 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.360 3.370 -14.230 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.400 2.052 -13.516 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.577 0.208 -15.987 1.00 0.00 H new ATOM 0 HG22 VAL A 7 8.056 0.511 -15.114 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.156 0.825 -16.863 1.00 0.00 H new ATOM 98 N GLN A 8 5.893 2.218 -14.678 1.00 0.00 N ATOM 99 CA GLN A 8 4.948 1.759 -13.660 1.00 0.00 C ATOM 100 C GLN A 8 5.093 0.252 -13.424 1.00 0.00 C ATOM 101 O GLN A 8 5.426 -0.498 -14.344 1.00 0.00 O ATOM 102 CB GLN A 8 3.516 2.095 -14.092 1.00 0.00 C ATOM 103 CG GLN A 8 2.476 1.910 -12.997 1.00 0.00 C ATOM 104 CD GLN A 8 1.084 1.671 -13.553 1.00 0.00 C ATOM 105 OE1 GLN A 8 0.808 0.622 -14.137 1.00 0.00 O ATOM 106 NE2 GLN A 8 0.195 2.644 -13.377 1.00 0.00 N ATOM 0 H GLN A 8 5.590 2.047 -15.637 1.00 0.00 H new ATOM 0 HA GLN A 8 5.168 2.271 -12.723 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.485 3.129 -14.436 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.248 1.468 -14.942 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.762 1.068 -12.367 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.463 2.794 -12.360 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.463 3.498 -12.888 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.755 2.537 -13.731 1.00 0.00 H new ATOM 115 N ARG A 9 4.848 -0.183 -12.186 1.00 0.00 N ATOM 116 CA ARG A 9 4.959 -1.597 -11.827 1.00 0.00 C ATOM 117 C ARG A 9 3.841 -2.018 -10.869 1.00 0.00 C ATOM 118 O ARG A 9 3.531 -1.308 -9.912 1.00 0.00 O ATOM 119 CB ARG A 9 6.326 -1.866 -11.188 1.00 0.00 C ATOM 120 CG ARG A 9 6.546 -3.317 -10.784 1.00 0.00 C ATOM 121 CD ARG A 9 7.966 -3.551 -10.287 1.00 0.00 C ATOM 122 NE ARG A 9 8.281 -2.746 -9.105 1.00 0.00 N ATOM 123 CZ ARG A 9 9.310 -2.985 -8.290 1.00 0.00 C ATOM 124 NH1 ARG A 9 10.126 -4.012 -8.514 1.00 0.00 N ATOM 125 NH2 ARG A 9 9.527 -2.193 -7.245 1.00 0.00 N ATOM 0 H ARG A 9 4.571 0.425 -11.415 1.00 0.00 H new ATOM 0 HA ARG A 9 4.861 -2.187 -12.738 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.107 -1.572 -11.889 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.434 -1.234 -10.307 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.837 -3.589 -10.002 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.346 -3.967 -11.636 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.096 -4.607 -10.050 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.671 -3.314 -11.084 1.00 0.00 H new ATOM 0 HE ARG A 9 7.676 -1.953 -8.891 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.967 -4.624 -9.314 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.910 -4.187 -7.886 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.907 -1.403 -7.066 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.313 -2.375 -6.622 1.00 0.00 H new ATOM 139 N CYS A 10 3.244 -3.183 -11.131 1.00 0.00 N ATOM 140 CA CYS A 10 2.167 -3.707 -10.290 1.00 0.00 C ATOM 141 C CYS A 10 2.672 -4.848 -9.408 1.00 0.00 C ATOM 142 O CYS A 10 3.311 -5.783 -9.895 1.00 0.00 O ATOM 143 CB CYS A 10 0.999 -4.191 -11.156 1.00 0.00 C ATOM 144 SG CYS A 10 -0.626 -4.002 -10.383 1.00 0.00 S ATOM 0 H CYS A 10 3.489 -3.781 -11.920 1.00 0.00 H new ATOM 0 HA CYS A 10 1.818 -2.900 -9.646 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.007 -3.641 -12.097 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.153 -5.242 -11.399 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.545 -4.437 -11.193 1.00 0.00 H new ATOM 150 N VAL A 11 2.386 -4.762 -8.108 1.00 0.00 N ATOM 151 CA VAL A 11 2.817 -5.782 -7.152 1.00 0.00 C ATOM 152 C VAL A 11 1.648 -6.279 -6.298 1.00 0.00 C ATOM 153 O VAL A 11 0.901 -5.481 -5.733 1.00 0.00 O ATOM 154 CB VAL A 11 3.924 -5.242 -6.223 1.00 0.00 C ATOM 155 CG1 VAL A 11 4.468 -6.349 -5.334 1.00 0.00 C ATOM 156 CG2 VAL A 11 5.044 -4.602 -7.033 1.00 0.00 C ATOM 0 H VAL A 11 1.857 -3.995 -7.693 1.00 0.00 H new ATOM 0 HA VAL A 11 3.210 -6.615 -7.736 1.00 0.00 H new ATOM 0 HB VAL A 11 3.487 -4.476 -5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.247 -5.946 -4.687 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.662 -6.754 -4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.885 -7.142 -5.955 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.814 -4.228 -6.358 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.478 -5.344 -7.703 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.643 -3.775 -7.619 1.00 0.00 H new ATOM 166 N ILE A 12 1.501 -7.603 -6.205 1.00 0.00 N ATOM 167 CA ILE A 12 0.426 -8.205 -5.415 1.00 0.00 C ATOM 168 C ILE A 12 0.925 -8.622 -4.031 1.00 0.00 C ATOM 169 O ILE A 12 1.779 -9.501 -3.908 1.00 0.00 O ATOM 170 CB ILE A 12 -0.181 -9.440 -6.121 1.00 0.00 C ATOM 171 CG1 ILE A 12 -0.534 -9.113 -7.578 1.00 0.00 C ATOM 172 CG2 ILE A 12 -1.414 -9.925 -5.370 1.00 0.00 C ATOM 173 CD1 ILE A 12 0.520 -9.553 -8.572 1.00 0.00 C ATOM 0 H ILE A 12 2.112 -8.277 -6.666 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.346 -7.443 -5.310 1.00 0.00 H new ATOM 0 HB ILE A 12 0.563 -10.237 -6.121 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.481 -9.591 -7.830 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.685 -8.038 -7.674 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.831 -10.795 -5.878 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.136 -10.198 -4.352 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.159 -9.130 -5.342 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.202 -9.289 -9.581 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.463 -9.055 -8.347 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.655 -10.633 -8.505 1.00 0.00 H new ATOM 185 N ILE A 13 0.380 -7.989 -2.991 1.00 0.00 N ATOM 186 CA ILE A 13 0.761 -8.290 -1.610 1.00 0.00 C ATOM 187 C ILE A 13 -0.157 -9.352 -1.006 1.00 0.00 C ATOM 188 O ILE A 13 -1.378 -9.263 -1.123 1.00 0.00 O ATOM 189 CB ILE A 13 0.719 -7.034 -0.704 1.00 0.00 C ATOM 190 CG1 ILE A 13 0.970 -5.751 -1.507 1.00 0.00 C ATOM 191 CG2 ILE A 13 1.732 -7.159 0.424 1.00 0.00 C ATOM 192 CD1 ILE A 13 2.233 -5.781 -2.341 1.00 0.00 C ATOM 0 H ILE A 13 -0.330 -7.262 -3.080 1.00 0.00 H new ATOM 0 HA ILE A 13 1.785 -8.661 -1.652 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.281 -6.968 -0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.118 -5.573 -2.163 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.022 -4.908 -0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.690 -6.269 1.051 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.500 -8.038 1.026 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.733 -7.260 0.005 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.337 -4.838 -2.877 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.095 -5.926 -1.690 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.177 -6.601 -3.057 1.00 0.00 H new ATOM 204 N GLN A 14 0.438 -10.348 -0.350 1.00 0.00 N ATOM 205 CA GLN A 14 -0.327 -11.422 0.285 1.00 0.00 C ATOM 206 C GLN A 14 -0.207 -11.343 1.808 1.00 0.00 C ATOM 207 O GLN A 14 0.721 -10.726 2.333 1.00 0.00 O ATOM 208 CB GLN A 14 0.169 -12.787 -0.210 1.00 0.00 C ATOM 209 CG GLN A 14 -0.826 -13.919 0.006 1.00 0.00 C ATOM 210 CD GLN A 14 -0.871 -14.892 -1.160 1.00 0.00 C ATOM 211 OE1 GLN A 14 -0.634 -16.088 -0.993 1.00 0.00 O ATOM 212 NE2 GLN A 14 -1.173 -14.382 -2.350 1.00 0.00 N ATOM 0 H GLN A 14 1.449 -10.434 -0.244 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.376 -11.304 0.014 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.398 -12.716 -1.273 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.100 -13.032 0.301 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.563 -14.460 0.915 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.820 -13.499 0.162 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.363 -13.384 -2.444 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.215 -14.989 -3.169 1.00 0.00 H new ATOM 221 N LYS A 15 -1.145 -11.974 2.517 1.00 0.00 N ATOM 222 CA LYS A 15 -1.127 -11.975 3.978 1.00 0.00 C ATOM 223 C LYS A 15 -0.276 -13.130 4.500 1.00 0.00 C ATOM 224 O LYS A 15 -0.494 -14.287 4.134 1.00 0.00 O ATOM 225 CB LYS A 15 -2.552 -12.074 4.536 1.00 0.00 C ATOM 226 CG LYS A 15 -2.631 -11.916 6.049 1.00 0.00 C ATOM 227 CD LYS A 15 -2.934 -10.479 6.449 1.00 0.00 C ATOM 228 CE LYS A 15 -3.529 -10.399 7.849 1.00 0.00 C ATOM 229 NZ LYS A 15 -4.537 -9.307 7.969 1.00 0.00 N ATOM 0 H LYS A 15 -1.923 -12.488 2.104 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.687 -11.036 4.315 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.170 -11.308 4.067 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.975 -13.039 4.258 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.404 -12.575 6.444 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.688 -12.228 6.497 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.019 -9.889 6.408 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.628 -10.040 5.733 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.996 -11.352 8.099 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.731 -10.236 8.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.916 -9.289 8.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.087 -8.394 7.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.313 -9.475 7.297 1.00 0.00 H new ATOM 243 N ASP A 16 0.695 -12.806 5.352 1.00 0.00 N ATOM 244 CA ASP A 16 1.588 -13.810 5.926 1.00 0.00 C ATOM 245 C ASP A 16 1.414 -13.887 7.443 1.00 0.00 C ATOM 246 O ASP A 16 0.600 -13.160 8.018 1.00 0.00 O ATOM 247 CB ASP A 16 3.041 -13.470 5.574 1.00 0.00 C ATOM 248 CG ASP A 16 3.846 -14.683 5.142 1.00 0.00 C ATOM 249 OD1 ASP A 16 3.311 -15.515 4.378 1.00 0.00 O ATOM 250 OD2 ASP A 16 5.014 -14.796 5.566 1.00 0.00 O ATOM 0 H ASP A 16 0.883 -11.852 5.661 1.00 0.00 H new ATOM 0 HA ASP A 16 1.335 -14.784 5.507 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.052 -12.730 4.774 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.521 -13.011 6.439 1.00 0.00 H new ATOM 255 N ASP A 17 2.182 -14.766 8.086 1.00 0.00 N ATOM 256 CA ASP A 17 2.114 -14.931 9.542 1.00 0.00 C ATOM 257 C ASP A 17 2.414 -13.615 10.258 1.00 0.00 C ATOM 258 O ASP A 17 1.842 -13.326 11.309 1.00 0.00 O ATOM 259 CB ASP A 17 3.090 -16.016 10.011 1.00 0.00 C ATOM 260 CG ASP A 17 4.537 -15.696 9.674 1.00 0.00 C ATOM 261 OD1 ASP A 17 4.901 -15.779 8.482 1.00 0.00 O ATOM 262 OD2 ASP A 17 5.304 -15.365 10.601 1.00 0.00 O ATOM 0 H ASP A 17 2.858 -15.375 7.625 1.00 0.00 H new ATOM 0 HA ASP A 17 1.099 -15.238 9.794 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.993 -16.143 11.089 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.817 -16.966 9.552 1.00 0.00 H new ATOM 267 N ASN A 18 3.311 -12.817 9.676 1.00 0.00 N ATOM 268 CA ASN A 18 3.681 -11.529 10.256 1.00 0.00 C ATOM 269 C ASN A 18 2.962 -10.373 9.551 1.00 0.00 C ATOM 270 O ASN A 18 3.321 -9.208 9.737 1.00 0.00 O ATOM 271 CB ASN A 18 5.198 -11.329 10.177 1.00 0.00 C ATOM 272 CG ASN A 18 5.901 -11.742 11.455 1.00 0.00 C ATOM 273 OD1 ASN A 18 5.794 -11.067 12.478 1.00 0.00 O ATOM 274 ND2 ASN A 18 6.624 -12.857 11.406 1.00 0.00 N ATOM 0 H ASN A 18 3.793 -13.041 8.805 1.00 0.00 H new ATOM 0 HA ASN A 18 3.373 -11.532 11.302 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.595 -11.908 9.343 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.414 -10.281 9.969 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.117 -13.182 12.238 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.686 -13.387 10.537 1.00 0.00 H new ATOM 281 N GLY A 19 1.945 -10.694 8.744 1.00 0.00 N ATOM 282 CA GLY A 19 1.205 -9.668 8.032 1.00 0.00 C ATOM 283 C GLY A 19 1.945 -9.170 6.803 1.00 0.00 C ATOM 284 O GLY A 19 2.935 -9.772 6.382 1.00 0.00 O ATOM 0 H GLY A 19 1.624 -11.647 8.574 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.235 -10.065 7.733 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.014 -8.830 8.702 1.00 0.00 H new ATOM 288 N PHE A 20 1.467 -8.065 6.228 1.00 0.00 N ATOM 289 CA PHE A 20 2.098 -7.485 5.040 1.00 0.00 C ATOM 290 C PHE A 20 3.477 -6.926 5.384 1.00 0.00 C ATOM 291 O PHE A 20 4.467 -7.244 4.722 1.00 0.00 O ATOM 292 CB PHE A 20 1.229 -6.372 4.442 1.00 0.00 C ATOM 293 CG PHE A 20 -0.226 -6.729 4.301 1.00 0.00 C ATOM 294 CD1 PHE A 20 -0.629 -7.754 3.457 1.00 0.00 C ATOM 295 CD2 PHE A 20 -1.193 -6.032 5.008 1.00 0.00 C ATOM 296 CE1 PHE A 20 -1.966 -8.075 3.324 1.00 0.00 C ATOM 297 CE2 PHE A 20 -2.532 -6.349 4.880 1.00 0.00 C ATOM 298 CZ PHE A 20 -2.920 -7.371 4.036 1.00 0.00 C ATOM 0 H PHE A 20 0.649 -7.556 6.563 1.00 0.00 H new ATOM 0 HA PHE A 20 2.206 -8.280 4.302 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.314 -5.485 5.069 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.623 -6.108 3.461 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.111 -8.307 2.898 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.896 -5.230 5.668 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.266 -8.876 2.664 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.274 -5.798 5.439 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.966 -7.620 3.932 1.00 0.00 H new ATOM 308 N GLY A 21 3.528 -6.094 6.427 1.00 0.00 N ATOM 309 CA GLY A 21 4.782 -5.499 6.857 1.00 0.00 C ATOM 310 C GLY A 21 5.313 -4.467 5.878 1.00 0.00 C ATOM 311 O GLY A 21 6.341 -4.688 5.239 1.00 0.00 O ATOM 0 H GLY A 21 2.717 -5.822 6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.641 -5.030 7.831 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.526 -6.285 6.987 1.00 0.00 H new ATOM 315 N LEU A 22 4.616 -3.338 5.763 1.00 0.00 N ATOM 316 CA LEU A 22 5.037 -2.269 4.858 1.00 0.00 C ATOM 317 C LEU A 22 4.610 -0.896 5.380 1.00 0.00 C ATOM 318 O LEU A 22 3.621 -0.772 6.102 1.00 0.00 O ATOM 319 CB LEU A 22 4.476 -2.497 3.449 1.00 0.00 C ATOM 320 CG LEU A 22 2.961 -2.698 3.368 1.00 0.00 C ATOM 321 CD1 LEU A 22 2.257 -1.367 3.142 1.00 0.00 C ATOM 322 CD2 LEU A 22 2.614 -3.685 2.260 1.00 0.00 C ATOM 0 H LEU A 22 3.761 -3.140 6.282 1.00 0.00 H new ATOM 0 HA LEU A 22 6.126 -2.290 4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.746 -1.643 2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.965 -3.372 3.019 1.00 0.00 H new ATOM 0 HG LEU A 22 2.615 -3.110 4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.181 -1.529 3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.480 -0.692 3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.605 -0.925 2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.533 -3.817 2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.972 -3.301 1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.088 -4.645 2.466 1.00 0.00 H new ATOM 334 N THR A 23 5.373 0.129 5.004 1.00 0.00 N ATOM 335 CA THR A 23 5.096 1.502 5.422 1.00 0.00 C ATOM 336 C THR A 23 4.869 2.394 4.203 1.00 0.00 C ATOM 337 O THR A 23 5.568 2.263 3.196 1.00 0.00 O ATOM 338 CB THR A 23 6.265 2.049 6.255 1.00 0.00 C ATOM 339 OG1 THR A 23 7.002 0.993 6.854 1.00 0.00 O ATOM 340 CG2 THR A 23 5.830 2.985 7.362 1.00 0.00 C ATOM 0 H THR A 23 6.194 0.033 4.406 1.00 0.00 H new ATOM 0 HA THR A 23 4.193 1.501 6.032 1.00 0.00 H new ATOM 0 HB THR A 23 6.878 2.607 5.547 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.520 1.343 7.609 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.706 3.333 7.909 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.308 3.840 6.932 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.163 2.457 8.043 1.00 0.00 H new ATOM 348 N VAL A 24 3.892 3.297 4.291 1.00 0.00 N ATOM 349 CA VAL A 24 3.591 4.199 3.181 1.00 0.00 C ATOM 350 C VAL A 24 3.267 5.611 3.663 1.00 0.00 C ATOM 351 O VAL A 24 2.689 5.801 4.736 1.00 0.00 O ATOM 352 CB VAL A 24 2.415 3.682 2.322 1.00 0.00 C ATOM 353 CG1 VAL A 24 2.803 2.402 1.596 1.00 0.00 C ATOM 354 CG2 VAL A 24 1.172 3.464 3.173 1.00 0.00 C ATOM 0 H VAL A 24 3.300 3.422 5.112 1.00 0.00 H new ATOM 0 HA VAL A 24 4.493 4.231 2.570 1.00 0.00 H new ATOM 0 HB VAL A 24 2.182 4.442 1.576 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.962 2.054 0.997 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.656 2.597 0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.070 1.637 2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.360 3.100 2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.387 2.730 3.949 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.878 4.406 3.636 1.00 0.00 H new ATOM 364 N SER A 25 3.646 6.597 2.851 1.00 0.00 N ATOM 365 CA SER A 25 3.407 8.001 3.163 1.00 0.00 C ATOM 366 C SER A 25 2.848 8.735 1.948 1.00 0.00 C ATOM 367 O SER A 25 3.273 8.491 0.817 1.00 0.00 O ATOM 368 CB SER A 25 4.705 8.672 3.610 1.00 0.00 C ATOM 369 OG SER A 25 5.219 8.071 4.785 1.00 0.00 O ATOM 0 H SER A 25 4.125 6.444 1.963 1.00 0.00 H new ATOM 0 HA SER A 25 2.678 8.049 3.972 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.444 8.605 2.812 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.525 9.732 3.790 1.00 0.00 H new ATOM 0 HG SER A 25 6.050 8.520 5.046 1.00 0.00 H new ATOM 375 N GLY A 26 1.894 9.635 2.186 1.00 0.00 N ATOM 376 CA GLY A 26 1.292 10.390 1.097 1.00 0.00 C ATOM 377 C GLY A 26 -0.150 9.993 0.853 1.00 0.00 C ATOM 378 O GLY A 26 -0.720 9.213 1.619 1.00 0.00 O ATOM 0 H GLY A 26 1.528 9.854 3.112 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.340 11.455 1.325 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.869 10.233 0.186 1.00 0.00 H new ATOM 382 N ASP A 27 -0.748 10.526 -0.212 1.00 0.00 N ATOM 383 CA ASP A 27 -2.134 10.206 -0.535 1.00 0.00 C ATOM 384 C ASP A 27 -2.304 9.881 -2.017 1.00 0.00 C ATOM 385 O ASP A 27 -2.264 8.711 -2.395 1.00 0.00 O ATOM 386 CB ASP A 27 -3.064 11.351 -0.120 1.00 0.00 C ATOM 387 CG ASP A 27 -4.529 10.974 -0.219 1.00 0.00 C ATOM 388 OD1 ASP A 27 -5.102 11.101 -1.320 1.00 0.00 O ATOM 389 OD2 ASP A 27 -5.102 10.552 0.808 1.00 0.00 O ATOM 0 H ASP A 27 -0.298 11.174 -0.858 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.408 9.315 0.030 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.837 11.646 0.904 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.872 12.218 -0.752 1.00 0.00 H new ATOM 394 N ASN A 28 -2.486 10.903 -2.861 1.00 0.00 N ATOM 395 CA ASN A 28 -2.643 10.662 -4.295 1.00 0.00 C ATOM 396 C ASN A 28 -1.468 9.818 -4.784 1.00 0.00 C ATOM 397 O ASN A 28 -1.660 8.735 -5.341 1.00 0.00 O ATOM 398 CB ASN A 28 -2.740 11.973 -5.096 1.00 0.00 C ATOM 399 CG ASN A 28 -3.493 13.072 -4.363 1.00 0.00 C ATOM 400 OD1 ASN A 28 -4.660 12.910 -4.017 1.00 0.00 O ATOM 401 ND2 ASN A 28 -2.826 14.195 -4.120 1.00 0.00 N ATOM 0 H ASN A 28 -2.527 11.883 -2.582 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.580 10.128 -4.456 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.734 12.324 -5.328 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.236 11.774 -6.046 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.283 14.963 -3.629 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.857 14.289 -4.425 1.00 0.00 H new ATOM 408 N PRO A 29 -0.227 10.290 -4.547 1.00 0.00 N ATOM 409 CA PRO A 29 0.984 9.586 -4.918 1.00 0.00 C ATOM 410 C PRO A 29 1.567 8.836 -3.720 1.00 0.00 C ATOM 411 O PRO A 29 2.661 9.159 -3.251 1.00 0.00 O ATOM 412 CB PRO A 29 1.891 10.746 -5.329 1.00 0.00 C ATOM 413 CG PRO A 29 1.474 11.894 -4.450 1.00 0.00 C ATOM 414 CD PRO A 29 0.118 11.550 -3.870 1.00 0.00 C ATOM 0 HA PRO A 29 0.845 8.830 -5.691 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.942 10.497 -5.182 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.766 10.991 -6.384 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.202 12.053 -3.655 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.422 12.819 -5.025 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.162 11.427 -2.788 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.616 12.330 -4.072 1.00 0.00 H new ATOM 422 N VAL A 30 0.823 7.847 -3.214 1.00 0.00 N ATOM 423 CA VAL A 30 1.273 7.077 -2.056 1.00 0.00 C ATOM 424 C VAL A 30 2.709 6.590 -2.267 1.00 0.00 C ATOM 425 O VAL A 30 3.048 6.094 -3.341 1.00 0.00 O ATOM 426 CB VAL A 30 0.368 5.858 -1.771 1.00 0.00 C ATOM 427 CG1 VAL A 30 0.799 5.166 -0.485 1.00 0.00 C ATOM 428 CG2 VAL A 30 -1.094 6.271 -1.690 1.00 0.00 C ATOM 0 H VAL A 30 -0.084 7.565 -3.585 1.00 0.00 H new ATOM 0 HA VAL A 30 1.222 7.746 -1.197 1.00 0.00 H new ATOM 0 HB VAL A 30 0.475 5.156 -2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.152 4.309 -0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.830 4.827 -0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.724 5.866 0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.709 5.394 -1.489 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.223 6.997 -0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.399 6.718 -2.636 1.00 0.00 H new ATOM 438 N PHE A 31 3.557 6.745 -1.254 1.00 0.00 N ATOM 439 CA PHE A 31 4.952 6.325 -1.366 1.00 0.00 C ATOM 440 C PHE A 31 5.303 5.263 -0.326 1.00 0.00 C ATOM 441 O PHE A 31 5.145 5.482 0.874 1.00 0.00 O ATOM 442 CB PHE A 31 5.877 7.534 -1.212 1.00 0.00 C ATOM 443 CG PHE A 31 7.334 7.212 -1.406 1.00 0.00 C ATOM 444 CD1 PHE A 31 8.107 6.774 -0.343 1.00 0.00 C ATOM 445 CD2 PHE A 31 7.927 7.350 -2.650 1.00 0.00 C ATOM 446 CE1 PHE A 31 9.445 6.478 -0.517 1.00 0.00 C ATOM 447 CE2 PHE A 31 9.265 7.055 -2.831 1.00 0.00 C ATOM 448 CZ PHE A 31 10.025 6.620 -1.763 1.00 0.00 C ATOM 0 H PHE A 31 3.307 7.154 -0.354 1.00 0.00 H new ATOM 0 HA PHE A 31 5.090 5.885 -2.354 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.584 8.298 -1.932 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.738 7.962 -0.219 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.658 6.663 0.633 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.337 7.692 -3.488 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.037 6.136 0.319 1.00 0.00 H new ATOM 0 HE2 PHE A 31 9.716 7.164 -3.806 1.00 0.00 H new ATOM 0 HZ PHE A 31 11.071 6.391 -1.902 1.00 0.00 H new ATOM 458 N VAL A 32 5.800 4.119 -0.798 1.00 0.00 N ATOM 459 CA VAL A 32 6.197 3.026 0.087 1.00 0.00 C ATOM 460 C VAL A 32 7.592 3.288 0.649 1.00 0.00 C ATOM 461 O VAL A 32 8.564 3.382 -0.103 1.00 0.00 O ATOM 462 CB VAL A 32 6.192 1.665 -0.645 1.00 0.00 C ATOM 463 CG1 VAL A 32 6.415 0.524 0.337 1.00 0.00 C ATOM 464 CG2 VAL A 32 4.891 1.468 -1.411 1.00 0.00 C ATOM 0 H VAL A 32 5.937 3.926 -1.790 1.00 0.00 H new ATOM 0 HA VAL A 32 5.469 2.982 0.897 1.00 0.00 H new ATOM 0 HB VAL A 32 7.013 1.663 -1.362 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.408 -0.425 -0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.377 0.653 0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.620 0.525 1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.910 0.503 -1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.052 1.496 -0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.779 2.263 -2.148 1.00 0.00 H new ATOM 474 N GLN A 33 7.679 3.418 1.970 1.00 0.00 N ATOM 475 CA GLN A 33 8.950 3.688 2.631 1.00 0.00 C ATOM 476 C GLN A 33 9.694 2.398 2.983 1.00 0.00 C ATOM 477 O GLN A 33 10.649 2.026 2.300 1.00 0.00 O ATOM 478 CB GLN A 33 8.725 4.532 3.888 1.00 0.00 C ATOM 479 CG GLN A 33 9.334 5.919 3.797 1.00 0.00 C ATOM 480 CD GLN A 33 10.772 5.954 4.277 1.00 0.00 C ATOM 481 OE1 GLN A 33 11.054 5.696 5.447 1.00 0.00 O ATOM 482 NE2 GLN A 33 11.692 6.274 3.374 1.00 0.00 N ATOM 0 H GLN A 33 6.883 3.340 2.603 1.00 0.00 H new ATOM 0 HA GLN A 33 9.573 4.246 1.932 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.654 4.624 4.068 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.149 4.012 4.747 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.291 6.264 2.764 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.739 6.613 4.391 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.415 6.481 2.414 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.676 6.313 3.640 1.00 0.00 H new ATOM 491 N SER A 34 9.267 1.727 4.053 1.00 0.00 N ATOM 492 CA SER A 34 9.912 0.489 4.490 1.00 0.00 C ATOM 493 C SER A 34 9.033 -0.726 4.209 1.00 0.00 C ATOM 494 O SER A 34 7.806 -0.650 4.294 1.00 0.00 O ATOM 495 CB SER A 34 10.241 0.561 5.982 1.00 0.00 C ATOM 496 OG SER A 34 11.546 1.071 6.192 1.00 0.00 O ATOM 0 H SER A 34 8.479 2.019 4.632 1.00 0.00 H new ATOM 0 HA SER A 34 10.836 0.377 3.923 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.513 1.196 6.488 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.160 -0.432 6.424 1.00 0.00 H new ATOM 0 HG SER A 34 11.732 1.109 7.154 1.00 0.00 H new ATOM 502 N VAL A 35 9.670 -1.851 3.883 1.00 0.00 N ATOM 503 CA VAL A 35 8.952 -3.091 3.593 1.00 0.00 C ATOM 504 C VAL A 35 9.646 -4.288 4.239 1.00 0.00 C ATOM 505 O VAL A 35 10.868 -4.297 4.396 1.00 0.00 O ATOM 506 CB VAL A 35 8.819 -3.338 2.073 1.00 0.00 C ATOM 507 CG1 VAL A 35 7.924 -2.286 1.436 1.00 0.00 C ATOM 508 CG2 VAL A 35 10.186 -3.364 1.397 1.00 0.00 C ATOM 0 H VAL A 35 10.685 -1.928 3.813 1.00 0.00 H new ATOM 0 HA VAL A 35 7.953 -2.980 4.014 1.00 0.00 H new ATOM 0 HB VAL A 35 8.358 -4.315 1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.843 -2.477 0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.933 -2.329 1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.354 -1.297 1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.060 -3.540 0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.686 -2.408 1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.790 -4.163 1.827 1.00 0.00 H new ATOM 518 N LYS A 36 8.857 -5.295 4.615 1.00 0.00 N ATOM 519 CA LYS A 36 9.392 -6.500 5.249 1.00 0.00 C ATOM 520 C LYS A 36 10.429 -7.181 4.356 1.00 0.00 C ATOM 521 O LYS A 36 10.086 -7.766 3.328 1.00 0.00 O ATOM 522 CB LYS A 36 8.260 -7.481 5.576 1.00 0.00 C ATOM 523 CG LYS A 36 8.081 -7.728 7.065 1.00 0.00 C ATOM 524 CD LYS A 36 7.736 -9.182 7.353 1.00 0.00 C ATOM 525 CE LYS A 36 8.081 -9.566 8.785 1.00 0.00 C ATOM 526 NZ LYS A 36 9.346 -10.351 8.870 1.00 0.00 N ATOM 0 H LYS A 36 7.845 -5.300 4.491 1.00 0.00 H new ATOM 0 HA LYS A 36 9.882 -6.199 6.175 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.327 -7.096 5.165 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.459 -8.431 5.080 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.997 -7.459 7.592 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.291 -7.083 7.449 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.673 -9.346 7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.276 -9.829 6.662 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.175 -8.663 9.389 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.264 -10.150 9.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.540 -10.590 9.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.250 -11.226 8.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.132 -9.785 8.490 1.00 0.00 H new ATOM 540 N GLU A 37 11.700 -7.095 4.759 1.00 0.00 N ATOM 541 CA GLU A 37 12.800 -7.700 4.001 1.00 0.00 C ATOM 542 C GLU A 37 12.577 -9.198 3.787 1.00 0.00 C ATOM 543 O GLU A 37 12.950 -9.744 2.748 1.00 0.00 O ATOM 544 CB GLU A 37 14.142 -7.465 4.709 1.00 0.00 C ATOM 545 CG GLU A 37 14.124 -7.780 6.201 1.00 0.00 C ATOM 546 CD GLU A 37 15.465 -8.264 6.730 1.00 0.00 C ATOM 547 OE1 GLU A 37 16.510 -7.882 6.159 1.00 0.00 O ATOM 548 OE2 GLU A 37 15.469 -9.021 7.724 1.00 0.00 O ATOM 0 H GLU A 37 11.993 -6.611 5.608 1.00 0.00 H new ATOM 0 HA GLU A 37 12.825 -7.218 3.024 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.906 -8.077 4.229 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.435 -6.424 4.572 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.826 -6.887 6.750 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.368 -8.541 6.395 1.00 0.00 H new ATOM 555 N ASP A 38 11.962 -9.856 4.770 1.00 0.00 N ATOM 556 CA ASP A 38 11.688 -11.285 4.680 1.00 0.00 C ATOM 557 C ASP A 38 10.207 -11.563 4.933 1.00 0.00 C ATOM 558 O ASP A 38 9.847 -12.354 5.809 1.00 0.00 O ATOM 559 CB ASP A 38 12.556 -12.057 5.676 1.00 0.00 C ATOM 560 CG ASP A 38 14.005 -12.142 5.233 1.00 0.00 C ATOM 561 OD1 ASP A 38 14.756 -11.174 5.473 1.00 0.00 O ATOM 562 OD2 ASP A 38 14.386 -13.173 4.641 1.00 0.00 O ATOM 0 H ASP A 38 11.645 -9.420 5.636 1.00 0.00 H new ATOM 0 HA ASP A 38 11.933 -11.622 3.673 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.504 -11.573 6.651 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.156 -13.064 5.799 1.00 0.00 H new ATOM 567 N GLY A 39 9.352 -10.899 4.157 1.00 0.00 N ATOM 568 CA GLY A 39 7.919 -11.075 4.298 1.00 0.00 C ATOM 569 C GLY A 39 7.183 -10.902 2.984 1.00 0.00 C ATOM 570 O GLY A 39 7.809 -10.784 1.926 1.00 0.00 O ATOM 0 H GLY A 39 9.630 -10.240 3.430 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.715 -12.069 4.697 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.537 -10.356 5.023 1.00 0.00 H new ATOM 574 N ALA A 40 5.852 -10.883 3.053 1.00 0.00 N ATOM 575 CA ALA A 40 5.015 -10.720 1.862 1.00 0.00 C ATOM 576 C ALA A 40 5.427 -9.495 1.045 1.00 0.00 C ATOM 577 O ALA A 40 5.382 -9.523 -0.185 1.00 0.00 O ATOM 578 CB ALA A 40 3.550 -10.616 2.254 1.00 0.00 C ATOM 0 H ALA A 40 5.328 -10.979 3.923 1.00 0.00 H new ATOM 0 HA ALA A 40 5.158 -11.602 1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.941 -10.495 1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.248 -11.523 2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.408 -9.755 2.907 1.00 0.00 H new ATOM 584 N ALA A 41 5.828 -8.422 1.732 1.00 0.00 N ATOM 585 CA ALA A 41 6.248 -7.193 1.062 1.00 0.00 C ATOM 586 C ALA A 41 7.346 -7.474 0.034 1.00 0.00 C ATOM 587 O ALA A 41 7.171 -7.211 -1.156 1.00 0.00 O ATOM 588 CB ALA A 41 6.720 -6.165 2.081 1.00 0.00 C ATOM 0 H ALA A 41 5.870 -8.382 2.750 1.00 0.00 H new ATOM 0 HA ALA A 41 5.387 -6.787 0.532 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.029 -5.256 1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.906 -5.933 2.768 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.563 -6.569 2.641 1.00 0.00 H new ATOM 594 N MET A 42 8.472 -8.020 0.497 1.00 0.00 N ATOM 595 CA MET A 42 9.586 -8.344 -0.392 1.00 0.00 C ATOM 596 C MET A 42 9.254 -9.553 -1.266 1.00 0.00 C ATOM 597 O MET A 42 9.595 -9.579 -2.449 1.00 0.00 O ATOM 598 CB MET A 42 10.862 -8.613 0.413 1.00 0.00 C ATOM 599 CG MET A 42 11.834 -7.443 0.421 1.00 0.00 C ATOM 600 SD MET A 42 13.524 -7.932 0.024 1.00 0.00 S ATOM 601 CE MET A 42 13.552 -7.660 -1.748 1.00 0.00 C ATOM 0 H MET A 42 8.635 -8.246 1.478 1.00 0.00 H new ATOM 0 HA MET A 42 9.755 -7.484 -1.040 1.00 0.00 H new ATOM 0 HB2 MET A 42 10.589 -8.855 1.440 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.364 -9.489 0.001 1.00 0.00 H new ATOM 0 HG2 MET A 42 11.500 -6.694 -0.297 1.00 0.00 H new ATOM 0 HG3 MET A 42 11.819 -6.971 1.404 1.00 0.00 H new ATOM 0 HE1 MET A 42 14.535 -7.919 -2.140 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.796 -8.284 -2.224 1.00 0.00 H new ATOM 0 HE3 MET A 42 13.342 -6.611 -1.958 1.00 0.00 H new ATOM 611 N ARG A 43 8.585 -10.549 -0.681 1.00 0.00 N ATOM 612 CA ARG A 43 8.206 -11.755 -1.420 1.00 0.00 C ATOM 613 C ARG A 43 7.332 -11.407 -2.629 1.00 0.00 C ATOM 614 O ARG A 43 7.399 -12.074 -3.661 1.00 0.00 O ATOM 615 CB ARG A 43 7.466 -12.742 -0.506 1.00 0.00 C ATOM 616 CG ARG A 43 7.677 -14.202 -0.883 1.00 0.00 C ATOM 617 CD ARG A 43 7.000 -15.140 0.107 1.00 0.00 C ATOM 618 NE ARG A 43 7.485 -16.517 -0.017 1.00 0.00 N ATOM 619 CZ ARG A 43 6.986 -17.551 0.666 1.00 0.00 C ATOM 620 NH1 ARG A 43 5.986 -17.374 1.526 1.00 0.00 N ATOM 621 NH2 ARG A 43 7.491 -18.769 0.489 1.00 0.00 N ATOM 0 H ARG A 43 8.296 -10.545 0.297 1.00 0.00 H new ATOM 0 HA ARG A 43 9.122 -12.226 -1.778 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.797 -12.590 0.521 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.399 -12.519 -0.534 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.282 -14.381 -1.883 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.745 -14.419 -0.919 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.177 -14.784 1.122 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.922 -15.120 -0.054 1.00 0.00 H new ATOM 0 HE ARG A 43 8.252 -16.697 -0.665 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.594 -16.443 1.668 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.611 -18.169 2.043 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.258 -18.913 -0.168 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.111 -19.559 1.010 1.00 0.00 H new ATOM 635 N ALA A 44 6.512 -10.362 -2.494 1.00 0.00 N ATOM 636 CA ALA A 44 5.627 -9.934 -3.578 1.00 0.00 C ATOM 637 C ALA A 44 6.360 -9.095 -4.629 1.00 0.00 C ATOM 638 O ALA A 44 5.845 -8.889 -5.730 1.00 0.00 O ATOM 639 CB ALA A 44 4.454 -9.148 -3.010 1.00 0.00 C ATOM 0 H ALA A 44 6.443 -9.798 -1.647 1.00 0.00 H new ATOM 0 HA ALA A 44 5.263 -10.833 -4.076 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.800 -8.833 -3.823 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.895 -9.778 -2.318 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.826 -8.270 -2.482 1.00 0.00 H new ATOM 645 N GLY A 45 7.555 -8.608 -4.291 1.00 0.00 N ATOM 646 CA GLY A 45 8.321 -7.796 -5.225 1.00 0.00 C ATOM 647 C GLY A 45 8.462 -6.347 -4.775 1.00 0.00 C ATOM 648 O GLY A 45 9.234 -5.588 -5.365 1.00 0.00 O ATOM 0 H GLY A 45 8.005 -8.761 -3.389 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.313 -8.231 -5.348 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.838 -7.822 -6.202 1.00 0.00 H new ATOM 652 N VAL A 46 7.721 -5.960 -3.732 1.00 0.00 N ATOM 653 CA VAL A 46 7.780 -4.596 -3.213 1.00 0.00 C ATOM 654 C VAL A 46 9.164 -4.287 -2.644 1.00 0.00 C ATOM 655 O VAL A 46 9.844 -5.173 -2.120 1.00 0.00 O ATOM 656 CB VAL A 46 6.720 -4.348 -2.114 1.00 0.00 C ATOM 657 CG1 VAL A 46 6.637 -2.868 -1.772 1.00 0.00 C ATOM 658 CG2 VAL A 46 5.358 -4.873 -2.545 1.00 0.00 C ATOM 0 H VAL A 46 7.076 -6.573 -3.234 1.00 0.00 H new ATOM 0 HA VAL A 46 7.572 -3.935 -4.054 1.00 0.00 H new ATOM 0 HB VAL A 46 7.027 -4.891 -1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.886 -2.715 -0.997 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.606 -2.523 -1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.360 -2.304 -2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.630 -4.687 -1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.044 -4.364 -3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.424 -5.945 -2.732 1.00 0.00 H new ATOM 668 N GLN A 47 9.578 -3.027 -2.758 1.00 0.00 N ATOM 669 CA GLN A 47 10.881 -2.597 -2.264 1.00 0.00 C ATOM 670 C GLN A 47 10.790 -1.223 -1.606 1.00 0.00 C ATOM 671 O GLN A 47 9.901 -0.430 -1.924 1.00 0.00 O ATOM 672 CB GLN A 47 11.890 -2.559 -3.415 1.00 0.00 C ATOM 673 CG GLN A 47 13.339 -2.694 -2.968 1.00 0.00 C ATOM 674 CD GLN A 47 14.323 -2.512 -4.110 1.00 0.00 C ATOM 675 OE1 GLN A 47 15.118 -3.403 -4.405 1.00 0.00 O ATOM 676 NE2 GLN A 47 14.275 -1.354 -4.762 1.00 0.00 N ATOM 0 H GLN A 47 9.027 -2.285 -3.190 1.00 0.00 H new ATOM 0 HA GLN A 47 11.216 -3.314 -1.514 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.659 -3.362 -4.115 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.773 -1.621 -3.957 1.00 0.00 H new ATOM 0 HG2 GLN A 47 13.547 -1.955 -2.194 1.00 0.00 H new ATOM 0 HG3 GLN A 47 13.487 -3.676 -2.519 1.00 0.00 H new ATOM 0 HE21 GLN A 47 13.600 -0.641 -4.486 1.00 0.00 H new ATOM 0 HE22 GLN A 47 14.913 -1.179 -5.538 1.00 0.00 H new ATOM 685 N THR A 48 11.721 -0.946 -0.693 1.00 0.00 N ATOM 686 CA THR A 48 11.754 0.337 0.005 1.00 0.00 C ATOM 687 C THR A 48 12.105 1.465 -0.962 1.00 0.00 C ATOM 688 O THR A 48 13.215 1.515 -1.495 1.00 0.00 O ATOM 689 CB THR A 48 12.764 0.306 1.160 1.00 0.00 C ATOM 690 OG1 THR A 48 14.065 -0.022 0.696 1.00 0.00 O ATOM 691 CG2 THR A 48 12.400 -0.680 2.249 1.00 0.00 C ATOM 0 H THR A 48 12.461 -1.593 -0.420 1.00 0.00 H new ATOM 0 HA THR A 48 10.761 0.520 0.416 1.00 0.00 H new ATOM 0 HB THR A 48 12.743 1.312 1.580 1.00 0.00 H new ATOM 0 HG1 THR A 48 14.221 0.406 -0.172 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.156 -0.651 3.034 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.430 -0.416 2.670 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.352 -1.685 1.829 1.00 0.00 H new ATOM 699 N GLY A 49 11.149 2.363 -1.187 1.00 0.00 N ATOM 700 CA GLY A 49 11.372 3.478 -2.092 1.00 0.00 C ATOM 701 C GLY A 49 10.538 3.386 -3.358 1.00 0.00 C ATOM 702 O GLY A 49 11.031 3.669 -4.451 1.00 0.00 O ATOM 0 H GLY A 49 10.224 2.338 -0.759 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.140 4.410 -1.577 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.428 3.516 -2.360 1.00 0.00 H new ATOM 706 N ASP A 50 9.273 2.998 -3.210 1.00 0.00 N ATOM 707 CA ASP A 50 8.365 2.879 -4.348 1.00 0.00 C ATOM 708 C ASP A 50 7.239 3.904 -4.238 1.00 0.00 C ATOM 709 O ASP A 50 6.973 4.425 -3.155 1.00 0.00 O ATOM 710 CB ASP A 50 7.782 1.463 -4.414 1.00 0.00 C ATOM 711 CG ASP A 50 8.575 0.546 -5.327 1.00 0.00 C ATOM 712 OD1 ASP A 50 8.525 0.745 -6.560 1.00 0.00 O ATOM 713 OD2 ASP A 50 9.243 -0.374 -4.811 1.00 0.00 O ATOM 0 H ASP A 50 8.853 2.760 -2.311 1.00 0.00 H new ATOM 0 HA ASP A 50 8.926 3.072 -5.262 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.757 1.037 -3.411 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.751 1.515 -4.764 1.00 0.00 H new ATOM 718 N ARG A 51 6.578 4.193 -5.359 1.00 0.00 N ATOM 719 CA ARG A 51 5.482 5.161 -5.365 1.00 0.00 C ATOM 720 C ARG A 51 4.165 4.500 -5.780 1.00 0.00 C ATOM 721 O ARG A 51 3.802 4.506 -6.958 1.00 0.00 O ATOM 722 CB ARG A 51 5.810 6.330 -6.302 1.00 0.00 C ATOM 723 CG ARG A 51 5.244 7.664 -5.841 1.00 0.00 C ATOM 724 CD ARG A 51 6.014 8.839 -6.435 1.00 0.00 C ATOM 725 NE ARG A 51 5.123 9.861 -6.988 1.00 0.00 N ATOM 726 CZ ARG A 51 5.504 11.108 -7.283 1.00 0.00 C ATOM 727 NH1 ARG A 51 6.761 11.497 -7.085 1.00 0.00 N ATOM 728 NH2 ARG A 51 4.624 11.970 -7.783 1.00 0.00 N ATOM 0 H ARG A 51 6.780 3.775 -6.267 1.00 0.00 H new ATOM 0 HA ARG A 51 5.363 5.544 -4.351 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.893 6.417 -6.393 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.423 6.106 -7.296 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.195 7.733 -6.129 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.280 7.718 -4.753 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.643 9.286 -5.665 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.679 8.476 -7.219 1.00 0.00 H new ATOM 0 HE ARG A 51 4.150 9.605 -7.159 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.444 10.842 -6.705 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.042 12.451 -7.313 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.659 11.680 -7.941 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.914 12.922 -8.008 1.00 0.00 H new ATOM 742 N ILE A 52 3.449 3.934 -4.805 1.00 0.00 N ATOM 743 CA ILE A 52 2.173 3.275 -5.076 1.00 0.00 C ATOM 744 C ILE A 52 1.091 4.297 -5.430 1.00 0.00 C ATOM 745 O ILE A 52 0.876 5.278 -4.712 1.00 0.00 O ATOM 746 CB ILE A 52 1.710 2.386 -3.891 1.00 0.00 C ATOM 747 CG1 ILE A 52 0.333 1.761 -4.178 1.00 0.00 C ATOM 748 CG2 ILE A 52 1.697 3.168 -2.585 1.00 0.00 C ATOM 749 CD1 ILE A 52 -0.847 2.673 -3.897 1.00 0.00 C ATOM 0 H ILE A 52 3.732 3.920 -3.825 1.00 0.00 H new ATOM 0 HA ILE A 52 2.331 2.622 -5.934 1.00 0.00 H new ATOM 0 HB ILE A 52 2.430 1.575 -3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.298 1.456 -5.224 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.227 0.857 -3.578 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.368 2.517 -1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.701 3.536 -2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.013 4.012 -2.673 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.775 2.149 -4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.844 2.959 -2.845 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.771 3.567 -4.516 1.00 0.00 H new ATOM 761 N ILE A 53 0.423 4.061 -6.556 1.00 0.00 N ATOM 762 CA ILE A 53 -0.628 4.955 -7.030 1.00 0.00 C ATOM 763 C ILE A 53 -2.008 4.300 -6.938 1.00 0.00 C ATOM 764 O ILE A 53 -2.995 4.969 -6.621 1.00 0.00 O ATOM 765 CB ILE A 53 -0.368 5.394 -8.489 1.00 0.00 C ATOM 766 CG1 ILE A 53 1.046 5.967 -8.634 1.00 0.00 C ATOM 767 CG2 ILE A 53 -1.403 6.417 -8.937 1.00 0.00 C ATOM 768 CD1 ILE A 53 1.617 5.826 -10.029 1.00 0.00 C ATOM 0 H ILE A 53 0.592 3.255 -7.158 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.613 5.832 -6.382 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.454 4.516 -9.129 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.031 7.022 -8.362 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.707 5.465 -7.927 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.201 6.712 -9.967 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.399 5.979 -8.874 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.351 7.294 -8.292 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.619 6.253 -10.057 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.665 4.771 -10.298 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.979 6.352 -10.738 1.00 0.00 H new ATOM 780 N LYS A 54 -2.081 2.996 -7.225 1.00 0.00 N ATOM 781 CA LYS A 54 -3.356 2.279 -7.180 1.00 0.00 C ATOM 782 C LYS A 54 -3.266 1.010 -6.331 1.00 0.00 C ATOM 783 O LYS A 54 -2.177 0.481 -6.097 1.00 0.00 O ATOM 784 CB LYS A 54 -3.806 1.920 -8.600 1.00 0.00 C ATOM 785 CG LYS A 54 -5.264 2.248 -8.888 1.00 0.00 C ATOM 786 CD LYS A 54 -5.414 3.054 -10.170 1.00 0.00 C ATOM 787 CE LYS A 54 -4.913 2.284 -11.386 1.00 0.00 C ATOM 788 NZ LYS A 54 -6.033 1.748 -12.211 1.00 0.00 N ATOM 0 H LYS A 54 -1.280 2.422 -7.488 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.089 2.940 -6.717 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.177 2.450 -9.315 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.645 0.854 -8.763 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.836 1.324 -8.969 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.683 2.810 -8.053 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.462 3.317 -10.313 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.860 3.989 -10.078 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.293 2.938 -11.999 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.279 1.460 -11.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.647 1.232 -13.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.611 1.103 -11.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.624 2.535 -12.547 1.00 0.00 H new ATOM 802 N VAL A 55 -4.425 0.525 -5.886 1.00 0.00 N ATOM 803 CA VAL A 55 -4.500 -0.688 -5.074 1.00 0.00 C ATOM 804 C VAL A 55 -5.762 -1.482 -5.415 1.00 0.00 C ATOM 805 O VAL A 55 -6.866 -1.119 -5.002 1.00 0.00 O ATOM 806 CB VAL A 55 -4.492 -0.380 -3.560 1.00 0.00 C ATOM 807 CG1 VAL A 55 -4.342 -1.666 -2.757 1.00 0.00 C ATOM 808 CG2 VAL A 55 -3.382 0.603 -3.213 1.00 0.00 C ATOM 0 H VAL A 55 -5.329 0.957 -6.076 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.613 -1.277 -5.307 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.445 0.081 -3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.338 -1.432 -1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.175 -2.333 -2.979 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.405 -2.155 -3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.396 0.805 -2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.418 0.176 -3.489 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.536 1.534 -3.759 1.00 0.00 H new ATOM 818 N ASN A 56 -5.584 -2.566 -6.172 1.00 0.00 N ATOM 819 CA ASN A 56 -6.694 -3.428 -6.583 1.00 0.00 C ATOM 820 C ASN A 56 -7.709 -2.661 -7.438 1.00 0.00 C ATOM 821 O ASN A 56 -8.908 -2.943 -7.399 1.00 0.00 O ATOM 822 CB ASN A 56 -7.380 -4.033 -5.348 1.00 0.00 C ATOM 823 CG ASN A 56 -7.225 -5.543 -5.274 1.00 0.00 C ATOM 824 OD1 ASN A 56 -6.262 -6.106 -5.796 1.00 0.00 O ATOM 825 ND2 ASN A 56 -8.170 -6.207 -4.619 1.00 0.00 N ATOM 0 H ASN A 56 -4.673 -2.870 -6.516 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.288 -4.234 -7.193 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.961 -3.584 -4.448 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.440 -3.781 -5.366 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.114 -7.222 -4.534 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.952 -5.702 -4.201 1.00 0.00 H new ATOM 832 N GLY A 57 -7.221 -1.683 -8.206 1.00 0.00 N ATOM 833 CA GLY A 57 -8.101 -0.890 -9.049 1.00 0.00 C ATOM 834 C GLY A 57 -8.593 0.371 -8.353 1.00 0.00 C ATOM 835 O GLY A 57 -8.857 1.382 -9.007 1.00 0.00 O ATOM 0 H GLY A 57 -6.235 -1.428 -8.257 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.573 -0.615 -9.962 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.958 -1.495 -9.346 1.00 0.00 H new ATOM 839 N THR A 58 -8.713 0.311 -7.024 1.00 0.00 N ATOM 840 CA THR A 58 -9.173 1.451 -6.235 1.00 0.00 C ATOM 841 C THR A 58 -8.179 2.611 -6.326 1.00 0.00 C ATOM 842 O THR A 58 -7.094 2.562 -5.741 1.00 0.00 O ATOM 843 CB THR A 58 -9.379 1.036 -4.772 1.00 0.00 C ATOM 844 OG1 THR A 58 -9.912 -0.277 -4.690 1.00 0.00 O ATOM 845 CG2 THR A 58 -10.308 1.955 -4.008 1.00 0.00 C ATOM 0 H THR A 58 -8.496 -0.519 -6.473 1.00 0.00 H new ATOM 0 HA THR A 58 -10.127 1.787 -6.641 1.00 0.00 H new ATOM 0 HB THR A 58 -8.389 1.091 -4.319 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.230 -0.885 -4.336 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.407 1.601 -2.982 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.899 2.965 -4.005 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.288 1.961 -4.486 1.00 0.00 H new ATOM 853 N LEU A 59 -8.561 3.651 -7.066 1.00 0.00 N ATOM 854 CA LEU A 59 -7.713 4.827 -7.242 1.00 0.00 C ATOM 855 C LEU A 59 -7.553 5.578 -5.925 1.00 0.00 C ATOM 856 O LEU A 59 -8.541 5.916 -5.271 1.00 0.00 O ATOM 857 CB LEU A 59 -8.304 5.764 -8.303 1.00 0.00 C ATOM 858 CG LEU A 59 -7.842 5.500 -9.737 1.00 0.00 C ATOM 859 CD1 LEU A 59 -8.691 4.414 -10.383 1.00 0.00 C ATOM 860 CD2 LEU A 59 -7.893 6.782 -10.555 1.00 0.00 C ATOM 0 H LEU A 59 -9.455 3.702 -7.554 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.732 4.487 -7.575 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -9.391 5.686 -8.268 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.050 6.791 -8.040 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.810 5.151 -9.709 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.346 4.241 -11.403 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.601 3.492 -9.808 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.734 4.730 -10.401 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.561 6.578 -11.573 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.915 7.160 -10.575 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.239 7.528 -10.103 1.00 0.00 H new ATOM 872 N VAL A 60 -6.306 5.844 -5.545 1.00 0.00 N ATOM 873 CA VAL A 60 -6.019 6.561 -4.305 1.00 0.00 C ATOM 874 C VAL A 60 -5.865 8.068 -4.555 1.00 0.00 C ATOM 875 O VAL A 60 -5.220 8.773 -3.777 1.00 0.00 O ATOM 876 CB VAL A 60 -4.746 6.015 -3.619 1.00 0.00 C ATOM 877 CG1 VAL A 60 -4.653 6.513 -2.184 1.00 0.00 C ATOM 878 CG2 VAL A 60 -4.722 4.491 -3.658 1.00 0.00 C ATOM 0 H VAL A 60 -5.479 5.574 -6.077 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.869 6.400 -3.642 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.880 6.385 -4.168 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.750 6.117 -1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.616 7.602 -2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.526 6.177 -1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.817 4.129 -3.170 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.597 4.100 -3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.735 4.153 -4.694 1.00 0.00 H new ATOM 888 N THR A 61 -6.471 8.559 -5.640 1.00 0.00 N ATOM 889 CA THR A 61 -6.407 9.979 -5.980 1.00 0.00 C ATOM 890 C THR A 61 -7.388 10.783 -5.126 1.00 0.00 C ATOM 891 O THR A 61 -7.060 11.866 -4.646 1.00 0.00 O ATOM 892 CB THR A 61 -6.709 10.189 -7.468 1.00 0.00 C ATOM 893 OG1 THR A 61 -6.164 9.136 -8.248 1.00 0.00 O ATOM 894 CG2 THR A 61 -6.164 11.492 -8.014 1.00 0.00 C ATOM 0 H THR A 61 -7.010 7.993 -6.296 1.00 0.00 H new ATOM 0 HA THR A 61 -5.397 10.333 -5.774 1.00 0.00 H new ATOM 0 HB THR A 61 -7.797 10.210 -7.538 1.00 0.00 H new ATOM 0 HG1 THR A 61 -6.370 9.289 -9.194 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.414 11.576 -9.072 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.605 12.327 -7.470 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.081 11.512 -7.894 1.00 0.00 H new ATOM 902 N HIS A 62 -8.592 10.240 -4.936 1.00 0.00 N ATOM 903 CA HIS A 62 -9.619 10.901 -4.131 1.00 0.00 C ATOM 904 C HIS A 62 -10.077 9.994 -2.985 1.00 0.00 C ATOM 905 O HIS A 62 -11.250 9.999 -2.605 1.00 0.00 O ATOM 906 CB HIS A 62 -10.812 11.293 -5.011 1.00 0.00 C ATOM 907 CG HIS A 62 -11.506 12.542 -4.560 1.00 0.00 C ATOM 908 ND1 HIS A 62 -11.422 13.739 -5.241 1.00 0.00 N ATOM 909 CD2 HIS A 62 -12.301 12.779 -3.489 1.00 0.00 C ATOM 910 CE1 HIS A 62 -12.133 14.656 -4.610 1.00 0.00 C ATOM 911 NE2 HIS A 62 -12.676 14.099 -3.542 1.00 0.00 N ATOM 0 H HIS A 62 -8.879 9.344 -5.329 1.00 0.00 H new ATOM 0 HA HIS A 62 -9.189 11.805 -3.700 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -10.467 11.429 -6.036 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -11.530 10.473 -5.022 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -12.587 12.062 -2.733 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -12.250 15.685 -4.915 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -13.276 14.572 -2.867 1.00 0.00 H new ATOM 920 N SER A 63 -9.141 9.214 -2.436 1.00 0.00 N ATOM 921 CA SER A 63 -9.444 8.301 -1.336 1.00 0.00 C ATOM 922 C SER A 63 -9.071 8.918 0.012 1.00 0.00 C ATOM 923 O SER A 63 -8.371 9.932 0.069 1.00 0.00 O ATOM 924 CB SER A 63 -8.701 6.976 -1.530 1.00 0.00 C ATOM 925 OG SER A 63 -9.356 6.161 -2.488 1.00 0.00 O ATOM 0 H SER A 63 -8.167 9.199 -2.738 1.00 0.00 H new ATOM 0 HA SER A 63 -10.518 8.114 -1.339 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.679 7.172 -1.853 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.639 6.447 -0.579 1.00 0.00 H new ATOM 0 HG SER A 63 -8.963 6.316 -3.372 1.00 0.00 H new ATOM 931 N ASN A 64 -9.543 8.300 1.095 1.00 0.00 N ATOM 932 CA ASN A 64 -9.263 8.786 2.445 1.00 0.00 C ATOM 933 C ASN A 64 -8.204 7.924 3.133 1.00 0.00 C ATOM 934 O ASN A 64 -7.926 6.805 2.701 1.00 0.00 O ATOM 935 CB ASN A 64 -10.549 8.811 3.279 1.00 0.00 C ATOM 936 CG ASN A 64 -11.146 10.204 3.376 1.00 0.00 C ATOM 937 OD1 ASN A 64 -11.297 10.899 2.371 1.00 0.00 O ATOM 938 ND2 ASN A 64 -11.491 10.622 4.590 1.00 0.00 N ATOM 0 H ASN A 64 -10.122 7.461 1.063 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.873 9.801 2.364 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.280 8.135 2.836 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.337 8.438 4.281 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.897 11.549 4.714 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.349 10.015 5.398 1.00 0.00 H new ATOM 945 N HIS A 65 -7.616 8.456 4.209 1.00 0.00 N ATOM 946 CA HIS A 65 -6.583 7.743 4.960 1.00 0.00 C ATOM 947 C HIS A 65 -7.095 6.384 5.442 1.00 0.00 C ATOM 948 O HIS A 65 -6.615 5.339 4.999 1.00 0.00 O ATOM 949 CB HIS A 65 -6.114 8.593 6.149 1.00 0.00 C ATOM 950 CG HIS A 65 -5.131 7.901 7.041 1.00 0.00 C ATOM 951 ND1 HIS A 65 -5.503 6.953 7.970 1.00 0.00 N ATOM 952 CD2 HIS A 65 -3.786 8.019 7.142 1.00 0.00 C ATOM 953 CE1 HIS A 65 -4.433 6.519 8.605 1.00 0.00 C ATOM 954 NE2 HIS A 65 -3.377 7.149 8.122 1.00 0.00 N ATOM 0 H HIS A 65 -7.840 9.380 4.579 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.736 7.567 4.297 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.663 9.511 5.771 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -6.983 8.884 6.739 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.154 8.674 6.561 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.421 5.775 9.387 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -2.414 7.011 8.428 1.00 0.00 H new ATOM 963 N LEU A 66 -8.076 6.410 6.346 1.00 0.00 N ATOM 964 CA LEU A 66 -8.662 5.180 6.886 1.00 0.00 C ATOM 965 C LEU A 66 -9.276 4.328 5.772 1.00 0.00 C ATOM 966 O LEU A 66 -9.327 3.103 5.882 1.00 0.00 O ATOM 967 CB LEU A 66 -9.728 5.502 7.945 1.00 0.00 C ATOM 968 CG LEU A 66 -9.482 4.898 9.335 1.00 0.00 C ATOM 969 CD1 LEU A 66 -9.501 3.377 9.277 1.00 0.00 C ATOM 970 CD2 LEU A 66 -8.164 5.395 9.912 1.00 0.00 C ATOM 0 H LEU A 66 -8.482 7.268 6.720 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.860 4.611 7.356 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.799 6.585 8.046 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.694 5.151 7.581 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.289 5.223 9.992 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.324 2.973 10.274 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.472 3.039 8.915 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.720 3.029 8.601 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.009 4.955 10.897 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.346 5.105 9.253 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.192 6.481 10.000 1.00 0.00 H new ATOM 982 N GLU A 67 -9.739 4.978 4.702 1.00 0.00 N ATOM 983 CA GLU A 67 -10.340 4.264 3.578 1.00 0.00 C ATOM 984 C GLU A 67 -9.324 3.338 2.909 1.00 0.00 C ATOM 985 O GLU A 67 -9.645 2.198 2.571 1.00 0.00 O ATOM 986 CB GLU A 67 -10.903 5.251 2.551 1.00 0.00 C ATOM 987 CG GLU A 67 -12.215 4.792 1.926 1.00 0.00 C ATOM 988 CD GLU A 67 -13.421 5.039 2.817 1.00 0.00 C ATOM 989 OE1 GLU A 67 -13.269 4.998 4.057 1.00 0.00 O ATOM 990 OE2 GLU A 67 -14.521 5.273 2.273 1.00 0.00 O ATOM 0 H GLU A 67 -9.709 5.992 4.592 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.156 3.656 3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.057 6.217 3.033 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.167 5.402 1.762 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.359 5.310 0.978 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.150 3.728 1.701 1.00 0.00 H new ATOM 997 N VAL A 68 -8.098 3.831 2.723 1.00 0.00 N ATOM 998 CA VAL A 68 -7.044 3.038 2.093 1.00 0.00 C ATOM 999 C VAL A 68 -6.691 1.819 2.942 1.00 0.00 C ATOM 1000 O VAL A 68 -6.696 0.691 2.450 1.00 0.00 O ATOM 1001 CB VAL A 68 -5.764 3.868 1.844 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -4.749 3.064 1.042 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -6.090 5.177 1.135 1.00 0.00 C ATOM 0 H VAL A 68 -7.813 4.771 2.998 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.438 2.711 1.131 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.326 4.108 2.813 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.856 3.666 0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.482 2.162 1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.182 2.787 0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.172 5.741 0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.560 4.964 0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.772 5.764 1.750 1.00 0.00 H new ATOM 1013 N VAL A 69 -6.385 2.052 4.220 1.00 0.00 N ATOM 1014 CA VAL A 69 -6.028 0.964 5.130 1.00 0.00 C ATOM 1015 C VAL A 69 -7.172 -0.045 5.266 1.00 0.00 C ATOM 1016 O VAL A 69 -6.941 -1.256 5.237 1.00 0.00 O ATOM 1017 CB VAL A 69 -5.623 1.492 6.529 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -6.771 2.232 7.198 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -5.127 0.352 7.410 1.00 0.00 C ATOM 0 H VAL A 69 -6.377 2.979 4.645 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.166 0.461 4.693 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.808 2.203 6.393 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.452 2.589 8.177 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.066 3.081 6.581 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.619 1.557 7.316 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.847 0.743 8.388 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.919 -0.388 7.528 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.259 -0.116 6.945 1.00 0.00 H new ATOM 1029 N LYS A 70 -8.402 0.457 5.400 1.00 0.00 N ATOM 1030 CA LYS A 70 -9.577 -0.406 5.528 1.00 0.00 C ATOM 1031 C LYS A 70 -9.741 -1.296 4.296 1.00 0.00 C ATOM 1032 O LYS A 70 -10.083 -2.474 4.415 1.00 0.00 O ATOM 1033 CB LYS A 70 -10.841 0.435 5.736 1.00 0.00 C ATOM 1034 CG LYS A 70 -12.004 -0.341 6.338 1.00 0.00 C ATOM 1035 CD LYS A 70 -13.048 -0.693 5.287 1.00 0.00 C ATOM 1036 CE LYS A 70 -14.450 -0.716 5.877 1.00 0.00 C ATOM 1037 NZ LYS A 70 -15.285 -1.801 5.289 1.00 0.00 N ATOM 0 H LYS A 70 -8.609 1.455 5.423 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.429 -1.045 6.398 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.603 1.277 6.386 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.151 0.851 4.777 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.631 -1.254 6.801 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.467 0.251 7.127 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.006 0.032 4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.818 -1.667 4.856 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.387 -0.852 6.957 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.932 0.246 5.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.232 -1.782 5.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.367 -1.658 4.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.839 -2.722 5.476 1.00 0.00 H new ATOM 1051 N LEU A 71 -9.496 -0.726 3.115 1.00 0.00 N ATOM 1052 CA LEU A 71 -9.617 -1.468 1.861 1.00 0.00 C ATOM 1053 C LEU A 71 -8.514 -2.517 1.734 1.00 0.00 C ATOM 1054 O LEU A 71 -8.788 -3.675 1.408 1.00 0.00 O ATOM 1055 CB LEU A 71 -9.573 -0.510 0.666 1.00 0.00 C ATOM 1056 CG LEU A 71 -9.958 -1.131 -0.681 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -10.820 -0.172 -1.488 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -8.712 -1.522 -1.467 1.00 0.00 C ATOM 0 H LEU A 71 -9.213 0.247 3.002 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.578 -1.982 1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.242 0.327 0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.566 -0.101 0.585 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.539 -2.033 -0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.082 -0.632 -2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.730 0.055 -0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.267 0.749 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.006 -1.961 -2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.103 -0.636 -1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.135 -2.249 -0.896 1.00 0.00 H new ATOM 1070 N ILE A 72 -7.270 -2.113 1.992 1.00 0.00 N ATOM 1071 CA ILE A 72 -6.134 -3.031 1.907 1.00 0.00 C ATOM 1072 C ILE A 72 -6.255 -4.139 2.951 1.00 0.00 C ATOM 1073 O ILE A 72 -6.033 -5.313 2.650 1.00 0.00 O ATOM 1074 CB ILE A 72 -4.779 -2.303 2.094 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -4.661 -1.119 1.129 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -3.619 -3.269 1.885 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -3.792 0.006 1.654 1.00 0.00 C ATOM 0 H ILE A 72 -7.024 -1.160 2.260 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.156 -3.462 0.906 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.737 -1.923 3.115 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.252 -1.472 0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.658 -0.730 0.920 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.676 -2.740 2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.687 -4.081 2.609 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.664 -3.678 0.876 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.754 0.810 0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.212 0.386 2.585 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.784 -0.367 1.836 1.00 0.00 H new ATOM 1089 N LYS A 73 -6.611 -3.758 4.178 1.00 0.00 N ATOM 1090 CA LYS A 73 -6.767 -4.721 5.266 1.00 0.00 C ATOM 1091 C LYS A 73 -7.959 -5.650 5.031 1.00 0.00 C ATOM 1092 O LYS A 73 -7.972 -6.781 5.520 1.00 0.00 O ATOM 1093 CB LYS A 73 -6.923 -3.996 6.605 1.00 0.00 C ATOM 1094 CG LYS A 73 -6.261 -4.720 7.766 1.00 0.00 C ATOM 1095 CD LYS A 73 -6.005 -3.785 8.938 1.00 0.00 C ATOM 1096 CE LYS A 73 -4.722 -2.986 8.746 1.00 0.00 C ATOM 1097 NZ LYS A 73 -3.513 -3.763 9.143 1.00 0.00 N ATOM 0 H LYS A 73 -6.796 -2.790 4.442 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.865 -5.333 5.293 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.497 -2.996 6.520 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.984 -3.873 6.821 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.896 -5.545 8.090 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.318 -5.155 7.434 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.847 -3.102 9.050 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.940 -4.364 9.859 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.634 -2.688 7.701 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.774 -2.071 9.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.811 -3.122 9.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.780 -4.489 9.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.104 -4.221 8.304 1.00 0.00 H new ATOM 1111 N SER A 74 -8.959 -5.173 4.286 1.00 0.00 N ATOM 1112 CA SER A 74 -10.148 -5.972 3.995 1.00 0.00 C ATOM 1113 C SER A 74 -9.856 -7.015 2.914 1.00 0.00 C ATOM 1114 O SER A 74 -10.365 -6.928 1.795 1.00 0.00 O ATOM 1115 CB SER A 74 -11.307 -5.070 3.558 1.00 0.00 C ATOM 1116 OG SER A 74 -12.054 -4.620 4.676 1.00 0.00 O ATOM 0 H SER A 74 -8.968 -4.240 3.875 1.00 0.00 H new ATOM 0 HA SER A 74 -10.433 -6.495 4.908 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.918 -4.213 3.008 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.960 -5.616 2.877 1.00 0.00 H new ATOM 0 HG SER A 74 -11.677 -3.777 5.004 1.00 0.00 H new ATOM 1122 N GLY A 75 -9.028 -7.999 3.261 1.00 0.00 N ATOM 1123 CA GLY A 75 -8.672 -9.048 2.321 1.00 0.00 C ATOM 1124 C GLY A 75 -7.301 -9.631 2.609 1.00 0.00 C ATOM 1125 O GLY A 75 -6.429 -8.941 3.139 1.00 0.00 O ATOM 0 H GLY A 75 -8.596 -8.088 4.181 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.419 -9.841 2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.690 -8.647 1.307 1.00 0.00 H new ATOM 1129 N SER A 76 -7.110 -10.903 2.263 1.00 0.00 N ATOM 1130 CA SER A 76 -5.831 -11.571 2.493 1.00 0.00 C ATOM 1131 C SER A 76 -4.735 -10.973 1.613 1.00 0.00 C ATOM 1132 O SER A 76 -3.722 -10.486 2.115 1.00 0.00 O ATOM 1133 CB SER A 76 -5.957 -13.076 2.230 1.00 0.00 C ATOM 1134 OG SER A 76 -5.137 -13.819 3.115 1.00 0.00 O ATOM 0 H SER A 76 -7.821 -11.489 1.825 1.00 0.00 H new ATOM 0 HA SER A 76 -5.554 -11.418 3.536 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.996 -13.383 2.348 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.675 -13.293 1.200 1.00 0.00 H new ATOM 0 HG SER A 76 -5.237 -14.776 2.928 1.00 0.00 H new ATOM 1140 N TYR A 77 -4.947 -11.006 0.297 1.00 0.00 N ATOM 1141 CA TYR A 77 -3.977 -10.460 -0.649 1.00 0.00 C ATOM 1142 C TYR A 77 -4.619 -9.386 -1.527 1.00 0.00 C ATOM 1143 O TYR A 77 -5.827 -9.410 -1.771 1.00 0.00 O ATOM 1144 CB TYR A 77 -3.389 -11.576 -1.520 1.00 0.00 C ATOM 1145 CG TYR A 77 -4.433 -12.425 -2.208 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -4.946 -13.558 -1.591 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -4.906 -12.093 -3.470 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -5.903 -14.335 -2.212 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -5.864 -12.863 -4.097 1.00 0.00 C ATOM 1150 CZ TYR A 77 -6.359 -13.984 -3.465 1.00 0.00 C ATOM 1151 OH TYR A 77 -7.315 -14.755 -4.087 1.00 0.00 O ATOM 0 H TYR A 77 -5.780 -11.404 -0.136 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.170 -10.000 -0.079 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.740 -11.132 -2.275 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.763 -12.217 -0.899 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.591 -13.836 -0.610 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.518 -11.218 -3.969 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.293 -15.213 -1.719 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.224 -12.589 -5.078 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.527 -14.370 -4.963 1.00 0.00 H new ATOM 1161 N VAL A 78 -3.800 -8.440 -1.991 1.00 0.00 N ATOM 1162 CA VAL A 78 -4.283 -7.347 -2.834 1.00 0.00 C ATOM 1163 C VAL A 78 -3.226 -6.900 -3.840 1.00 0.00 C ATOM 1164 O VAL A 78 -2.027 -6.967 -3.567 1.00 0.00 O ATOM 1165 CB VAL A 78 -4.704 -6.123 -1.991 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -5.925 -6.446 -1.143 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -3.550 -5.647 -1.115 1.00 0.00 C ATOM 0 H VAL A 78 -2.799 -8.410 -1.797 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.149 -7.737 -3.369 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.968 -5.316 -2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.204 -5.570 -0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.754 -6.728 -1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.693 -7.272 -0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.869 -4.784 -0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.249 -6.450 -0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.706 -5.366 -1.746 1.00 0.00 H new ATOM 1177 N ALA A 79 -3.680 -6.427 -4.998 1.00 0.00 N ATOM 1178 CA ALA A 79 -2.773 -5.946 -6.034 1.00 0.00 C ATOM 1179 C ALA A 79 -2.506 -4.457 -5.842 1.00 0.00 C ATOM 1180 O ALA A 79 -3.402 -3.707 -5.462 1.00 0.00 O ATOM 1181 CB ALA A 79 -3.351 -6.214 -7.418 1.00 0.00 C ATOM 0 H ALA A 79 -4.669 -6.367 -5.241 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.829 -6.484 -5.952 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.660 -5.848 -8.178 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.500 -7.286 -7.549 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.307 -5.700 -7.519 1.00 0.00 H new ATOM 1187 N LEU A 80 -1.268 -4.033 -6.079 1.00 0.00 N ATOM 1188 CA LEU A 80 -0.902 -2.632 -5.901 1.00 0.00 C ATOM 1189 C LEU A 80 -0.138 -2.086 -7.105 1.00 0.00 C ATOM 1190 O LEU A 80 0.954 -2.556 -7.430 1.00 0.00 O ATOM 1191 CB LEU A 80 -0.067 -2.461 -4.629 1.00 0.00 C ATOM 1192 CG LEU A 80 -0.878 -2.233 -3.349 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -1.310 -3.560 -2.741 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -0.074 -1.418 -2.344 1.00 0.00 C ATOM 0 H LEU A 80 -0.506 -4.635 -6.393 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.826 -2.061 -5.808 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.552 -3.349 -4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.610 -1.618 -4.767 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.775 -1.670 -3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.884 -3.375 -1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.927 -4.104 -3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.428 -4.153 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.666 -1.266 -1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.842 -1.953 -2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.179 -0.451 -2.779 1.00 0.00 H new ATOM 1206 N THR A 81 -0.720 -1.075 -7.747 1.00 0.00 N ATOM 1207 CA THR A 81 -0.105 -0.430 -8.901 1.00 0.00 C ATOM 1208 C THR A 81 0.784 0.720 -8.435 1.00 0.00 C ATOM 1209 O THR A 81 0.286 1.767 -8.003 1.00 0.00 O ATOM 1210 CB THR A 81 -1.182 0.088 -9.859 1.00 0.00 C ATOM 1211 OG1 THR A 81 -1.999 -0.974 -10.320 1.00 0.00 O ATOM 1212 CG2 THR A 81 -0.621 0.796 -11.074 1.00 0.00 C ATOM 0 H THR A 81 -1.624 -0.684 -7.483 1.00 0.00 H new ATOM 0 HA THR A 81 0.506 -1.161 -9.431 1.00 0.00 H new ATOM 0 HB THR A 81 -1.758 0.807 -9.277 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.491 -1.812 -10.296 1.00 0.00 H new ATOM 0 HG21 THR A 81 -1.440 1.136 -11.708 1.00 0.00 H new ATOM 0 HG22 THR A 81 -0.030 1.654 -10.754 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.011 0.109 -11.636 1.00 0.00 H new ATOM 1220 N VAL A 82 2.101 0.510 -8.503 1.00 0.00 N ATOM 1221 CA VAL A 82 3.066 1.518 -8.070 1.00 0.00 C ATOM 1222 C VAL A 82 3.939 2.012 -9.225 1.00 0.00 C ATOM 1223 O VAL A 82 3.859 1.503 -10.344 1.00 0.00 O ATOM 1224 CB VAL A 82 3.974 0.978 -6.937 1.00 0.00 C ATOM 1225 CG1 VAL A 82 3.151 0.261 -5.877 1.00 0.00 C ATOM 1226 CG2 VAL A 82 5.052 0.053 -7.489 1.00 0.00 C ATOM 0 H VAL A 82 2.522 -0.350 -8.854 1.00 0.00 H new ATOM 0 HA VAL A 82 2.483 2.359 -7.694 1.00 0.00 H new ATOM 0 HB VAL A 82 4.466 1.833 -6.472 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.811 -0.109 -5.092 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.429 0.955 -5.446 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.623 -0.577 -6.332 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.674 -0.310 -6.671 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.583 -0.793 -7.992 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.671 0.600 -8.200 1.00 0.00 H new ATOM 1236 N GLN A 83 4.772 3.010 -8.936 1.00 0.00 N ATOM 1237 CA GLN A 83 5.670 3.591 -9.929 1.00 0.00 C ATOM 1238 C GLN A 83 7.000 3.983 -9.284 1.00 0.00 C ATOM 1239 O GLN A 83 7.062 4.247 -8.078 1.00 0.00 O ATOM 1240 CB GLN A 83 5.015 4.814 -10.580 1.00 0.00 C ATOM 1241 CG GLN A 83 5.683 5.261 -11.874 1.00 0.00 C ATOM 1242 CD GLN A 83 4.899 6.341 -12.601 1.00 0.00 C ATOM 1243 OE1 GLN A 83 4.620 6.223 -13.793 1.00 0.00 O ATOM 1244 NE2 GLN A 83 4.540 7.404 -11.885 1.00 0.00 N ATOM 0 H GLN A 83 4.843 3.436 -8.012 1.00 0.00 H new ATOM 0 HA GLN A 83 5.867 2.845 -10.699 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.968 4.587 -10.783 1.00 0.00 H new ATOM 0 HB3 GLN A 83 5.030 5.642 -9.871 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.683 5.633 -11.651 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.802 4.400 -12.532 1.00 0.00 H new ATOM 0 HE21 GLN A 83 4.792 7.463 -10.898 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.013 8.160 -12.323 1.00 0.00 H new ATOM 1253 N GLY A 84 8.060 4.012 -10.094 1.00 0.00 N ATOM 1254 CA GLY A 84 9.377 4.367 -9.591 1.00 0.00 C ATOM 1255 C GLY A 84 10.110 5.337 -10.502 1.00 0.00 C ATOM 1256 O GLY A 84 9.750 5.490 -11.673 1.00 0.00 O ATOM 0 H GLY A 84 8.028 3.795 -11.090 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.276 4.811 -8.601 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.973 3.462 -9.475 1.00 0.00 H new ATOM 1260 N ARG A 85 11.140 5.991 -9.966 1.00 0.00 N ATOM 1261 CA ARG A 85 11.926 6.951 -10.739 1.00 0.00 C ATOM 1262 C ARG A 85 13.405 6.903 -10.354 1.00 0.00 C ATOM 1263 O ARG A 85 13.813 7.490 -9.349 1.00 0.00 O ATOM 1264 CB ARG A 85 11.385 8.371 -10.538 1.00 0.00 C ATOM 1265 CG ARG A 85 12.087 9.411 -11.397 1.00 0.00 C ATOM 1266 CD ARG A 85 11.432 10.775 -11.275 1.00 0.00 C ATOM 1267 NE ARG A 85 12.401 11.859 -11.441 1.00 0.00 N ATOM 1268 CZ ARG A 85 12.935 12.212 -12.614 1.00 0.00 C ATOM 1269 NH1 ARG A 85 12.599 11.567 -13.731 1.00 0.00 N ATOM 1270 NH2 ARG A 85 13.812 13.209 -12.669 1.00 0.00 N ATOM 0 H ARG A 85 11.449 5.874 -9.001 1.00 0.00 H new ATOM 0 HA ARG A 85 11.838 6.676 -11.790 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.319 8.382 -10.766 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.489 8.647 -9.489 1.00 0.00 H new ATOM 0 HG2 ARG A 85 13.133 9.482 -11.100 1.00 0.00 H new ATOM 0 HG3 ARG A 85 12.072 9.092 -12.439 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.648 10.870 -12.026 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.952 10.862 -10.300 1.00 0.00 H new ATOM 0 HE ARG A 85 12.686 12.377 -10.610 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.930 10.798 -13.694 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.011 11.842 -14.623 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.076 13.703 -11.817 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.221 13.480 -13.563 1.00 0.00 H new ATOM 1284 N PRO A 86 14.233 6.204 -11.160 1.00 0.00 N ATOM 1285 CA PRO A 86 15.678 6.086 -10.910 1.00 0.00 C ATOM 1286 C PRO A 86 16.370 7.447 -10.738 1.00 0.00 C ATOM 1287 O PRO A 86 17.166 7.623 -9.814 1.00 0.00 O ATOM 1288 CB PRO A 86 16.203 5.368 -12.159 1.00 0.00 C ATOM 1289 CG PRO A 86 15.027 4.632 -12.697 1.00 0.00 C ATOM 1290 CD PRO A 86 13.826 5.479 -12.379 1.00 0.00 C ATOM 0 HA PRO A 86 15.880 5.555 -9.980 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.593 6.078 -12.889 1.00 0.00 H new ATOM 0 HB3 PRO A 86 17.017 4.686 -11.911 1.00 0.00 H new ATOM 0 HG2 PRO A 86 15.122 4.478 -13.772 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.941 3.646 -12.240 1.00 0.00 H new ATOM 0 HD2 PRO A 86 13.590 6.163 -13.194 1.00 0.00 H new ATOM 0 HD3 PRO A 86 12.939 4.870 -12.207 1.00 0.00 H new ATOM 1298 N PRO A 87 16.082 8.435 -11.621 1.00 0.00 N ATOM 1299 CA PRO A 87 16.694 9.771 -11.536 1.00 0.00 C ATOM 1300 C PRO A 87 16.411 10.464 -10.203 1.00 0.00 C ATOM 1301 O PRO A 87 15.253 10.631 -9.817 1.00 0.00 O ATOM 1302 CB PRO A 87 16.032 10.553 -12.677 1.00 0.00 C ATOM 1303 CG PRO A 87 15.519 9.517 -13.612 1.00 0.00 C ATOM 1304 CD PRO A 87 15.153 8.335 -12.760 1.00 0.00 C ATOM 0 HA PRO A 87 17.780 9.713 -11.610 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.224 11.183 -12.306 1.00 0.00 H new ATOM 0 HB3 PRO A 87 16.748 11.210 -13.171 1.00 0.00 H new ATOM 0 HG2 PRO A 87 14.653 9.883 -14.163 1.00 0.00 H new ATOM 0 HG3 PRO A 87 16.276 9.247 -14.349 1.00 0.00 H new ATOM 0 HD2 PRO A 87 14.113 8.380 -12.436 1.00 0.00 H new ATOM 0 HD3 PRO A 87 15.278 7.396 -13.300 1.00 0.00 H new ATOM 1312 N GLY A 88 17.474 10.877 -9.513 1.00 0.00 N ATOM 1313 CA GLY A 88 17.314 11.560 -8.242 1.00 0.00 C ATOM 1314 C GLY A 88 17.804 10.744 -7.062 1.00 0.00 C ATOM 1315 O GLY A 88 18.900 10.982 -6.552 1.00 0.00 O ATOM 0 H GLY A 88 18.441 10.750 -9.813 1.00 0.00 H new ATOM 0 HA2 GLY A 88 17.857 12.505 -8.273 1.00 0.00 H new ATOM 0 HA3 GLY A 88 16.261 11.802 -8.096 1.00 0.00 H new ATOM 1319 N SER A 89 16.987 9.790 -6.618 1.00 0.00 N ATOM 1320 CA SER A 89 17.337 8.942 -5.478 1.00 0.00 C ATOM 1321 C SER A 89 17.536 7.484 -5.901 1.00 0.00 C ATOM 1322 O SER A 89 17.663 6.620 -5.005 1.00 0.00 O ATOM 1323 CB SER A 89 16.244 9.030 -4.409 1.00 0.00 C ATOM 1324 OG SER A 89 15.702 10.338 -4.329 1.00 0.00 O ATOM 1325 OXT SER A 89 17.568 7.215 -7.120 1.00 0.00 O ATOM 0 H SER A 89 16.077 9.584 -7.030 1.00 0.00 H new ATOM 0 HA SER A 89 18.280 9.303 -5.068 1.00 0.00 H new ATOM 0 HB2 SER A 89 15.450 8.319 -4.639 1.00 0.00 H new ATOM 0 HB3 SER A 89 16.656 8.746 -3.441 1.00 0.00 H new ATOM 0 HG SER A 89 15.006 10.362 -3.639 1.00 0.00 H new TER 1331 SER A 89 ATOM 1332 N VAL B 90 -7.523 15.908 7.088 1.00 0.00 N ATOM 1333 CA VAL B 90 -7.006 17.307 7.029 1.00 0.00 C ATOM 1334 C VAL B 90 -5.477 17.349 7.043 1.00 0.00 C ATOM 1335 O VAL B 90 -4.862 17.947 6.158 1.00 0.00 O ATOM 1336 CB VAL B 90 -7.546 18.169 8.190 1.00 0.00 C ATOM 1337 CG1 VAL B 90 -8.987 18.572 7.918 1.00 0.00 C ATOM 1338 CG2 VAL B 90 -7.432 17.438 9.524 1.00 0.00 C ATOM 0 HA VAL B 90 -7.363 17.721 6.086 1.00 0.00 H new ATOM 0 HB VAL B 90 -6.936 19.070 8.256 1.00 0.00 H new ATOM 0 HG11 VAL B 90 -9.357 19.180 8.744 1.00 0.00 H new ATOM 0 HG12 VAL B 90 -9.036 19.148 6.994 1.00 0.00 H new ATOM 0 HG13 VAL B 90 -9.603 17.678 7.821 1.00 0.00 H new ATOM 0 HG21 VAL B 90 -7.821 18.072 10.321 1.00 0.00 H new ATOM 0 HG22 VAL B 90 -8.008 16.513 9.483 1.00 0.00 H new ATOM 0 HG23 VAL B 90 -6.386 17.205 9.723 1.00 0.00 H new ATOM 1350 N GLU B 91 -4.869 16.714 8.049 1.00 0.00 N ATOM 1351 CA GLU B 91 -3.414 16.685 8.171 1.00 0.00 C ATOM 1352 C GLU B 91 -2.918 15.278 8.495 1.00 0.00 C ATOM 1353 O GLU B 91 -3.646 14.474 9.078 1.00 0.00 O ATOM 1354 CB GLU B 91 -2.946 17.667 9.251 1.00 0.00 C ATOM 1355 CG GLU B 91 -3.708 17.557 10.566 1.00 0.00 C ATOM 1356 CD GLU B 91 -2.813 17.172 11.729 1.00 0.00 C ATOM 1357 OE1 GLU B 91 -2.178 18.074 12.312 1.00 0.00 O ATOM 1358 OE2 GLU B 91 -2.750 15.967 12.054 1.00 0.00 O ATOM 0 H GLU B 91 -5.363 16.215 8.788 1.00 0.00 H new ATOM 0 HA GLU B 91 -2.993 16.986 7.212 1.00 0.00 H new ATOM 0 HB2 GLU B 91 -1.886 17.501 9.443 1.00 0.00 H new ATOM 0 HB3 GLU B 91 -3.045 18.683 8.870 1.00 0.00 H new ATOM 0 HG2 GLU B 91 -4.190 18.510 10.783 1.00 0.00 H new ATOM 0 HG3 GLU B 91 -4.500 16.816 10.461 1.00 0.00 H new ATOM 1365 N ASN B 92 -1.666 14.997 8.113 1.00 0.00 N ATOM 1366 CA ASN B 92 -1.040 13.694 8.355 1.00 0.00 C ATOM 1367 C ASN B 92 -1.726 12.587 7.553 1.00 0.00 C ATOM 1368 O ASN B 92 -2.846 12.183 7.868 1.00 0.00 O ATOM 1369 CB ASN B 92 -1.062 13.348 9.848 1.00 0.00 C ATOM 1370 CG ASN B 92 0.000 14.095 10.636 1.00 0.00 C ATOM 1371 OD1 ASN B 92 0.447 15.171 10.236 1.00 0.00 O ATOM 1372 ND2 ASN B 92 0.412 13.527 11.765 1.00 0.00 N ATOM 0 H ASN B 92 -1.063 15.663 7.630 1.00 0.00 H new ATOM 0 HA ASN B 92 -0.004 13.764 8.024 1.00 0.00 H new ATOM 0 HB2 ASN B 92 -2.045 13.582 10.257 1.00 0.00 H new ATOM 0 HB3 ASN B 92 -0.913 12.275 9.971 1.00 0.00 H new ATOM 0 HD21 ASN B 92 1.124 13.983 12.335 1.00 0.00 H new ATOM 0 HD22 ASN B 92 0.016 12.635 12.061 1.00 0.00 H new ATOM 1379 N LYS B 93 -1.045 12.103 6.511 1.00 0.00 N ATOM 1380 CA LYS B 93 -1.591 11.045 5.661 1.00 0.00 C ATOM 1381 C LYS B 93 -0.592 9.892 5.510 1.00 0.00 C ATOM 1382 O LYS B 93 -0.221 9.517 4.396 1.00 0.00 O ATOM 1383 CB LYS B 93 -1.971 11.608 4.287 1.00 0.00 C ATOM 1384 CG LYS B 93 -2.799 12.884 4.361 1.00 0.00 C ATOM 1385 CD LYS B 93 -2.877 13.583 3.011 1.00 0.00 C ATOM 1386 CE LYS B 93 -2.753 15.095 3.152 1.00 0.00 C ATOM 1387 NZ LYS B 93 -1.756 15.669 2.203 1.00 0.00 N ATOM 0 H LYS B 93 -0.117 12.427 6.237 1.00 0.00 H new ATOM 0 HA LYS B 93 -2.489 10.654 6.139 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -1.061 11.807 3.721 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -2.531 10.852 3.736 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -3.805 12.646 4.706 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -2.362 13.560 5.096 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -2.084 13.212 2.362 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -3.824 13.339 2.529 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -3.725 15.556 2.977 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -2.463 15.340 4.174 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -1.705 16.699 2.334 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -0.822 15.250 2.385 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -2.045 15.458 1.226 1.00 0.00 H new ATOM 1401 N VAL B 94 -0.166 9.331 6.642 1.00 0.00 N ATOM 1402 CA VAL B 94 0.782 8.217 6.646 1.00 0.00 C ATOM 1403 C VAL B 94 0.145 6.960 7.241 1.00 0.00 C ATOM 1404 O VAL B 94 -0.580 7.033 8.236 1.00 0.00 O ATOM 1405 CB VAL B 94 2.070 8.572 7.429 1.00 0.00 C ATOM 1406 CG1 VAL B 94 1.765 8.836 8.899 1.00 0.00 C ATOM 1407 CG2 VAL B 94 3.111 7.469 7.282 1.00 0.00 C ATOM 0 H VAL B 94 -0.464 9.631 7.570 1.00 0.00 H new ATOM 0 HA VAL B 94 1.053 8.020 5.609 1.00 0.00 H new ATOM 0 HB VAL B 94 2.480 9.488 7.003 1.00 0.00 H new ATOM 0 HG11 VAL B 94 2.688 9.083 9.424 1.00 0.00 H new ATOM 0 HG12 VAL B 94 1.067 9.669 8.982 1.00 0.00 H new ATOM 0 HG13 VAL B 94 1.322 7.945 9.344 1.00 0.00 H new ATOM 0 HG21 VAL B 94 4.008 7.739 7.840 1.00 0.00 H new ATOM 0 HG22 VAL B 94 2.708 6.534 7.672 1.00 0.00 H new ATOM 0 HG23 VAL B 94 3.363 7.344 6.229 1.00 0.00 H new ATOM 1417 N THR B 95 0.414 5.813 6.619 1.00 0.00 N ATOM 1418 CA THR B 95 -0.140 4.539 7.078 1.00 0.00 C ATOM 1419 C THR B 95 0.933 3.445 7.084 1.00 0.00 C ATOM 1420 O THR B 95 1.435 3.052 6.031 1.00 0.00 O ATOM 1421 CB THR B 95 -1.310 4.127 6.178 1.00 0.00 C ATOM 1422 OG1 THR B 95 -2.307 5.137 6.156 1.00 0.00 O ATOM 1423 CG2 THR B 95 -1.973 2.832 6.601 1.00 0.00 C ATOM 0 H THR B 95 1.012 5.739 5.796 1.00 0.00 H new ATOM 0 HA THR B 95 -0.499 4.667 8.099 1.00 0.00 H new ATOM 0 HB THR B 95 -0.873 3.981 5.190 1.00 0.00 H new ATOM 0 HG1 THR B 95 -2.332 5.591 7.024 1.00 0.00 H new ATOM 0 HG21 THR B 95 -2.792 2.603 5.919 1.00 0.00 H new ATOM 0 HG22 THR B 95 -1.242 2.024 6.575 1.00 0.00 H new ATOM 0 HG23 THR B 95 -2.363 2.937 7.614 1.00 0.00 H new ATOM 1431 N ASP B 96 1.275 2.958 8.279 1.00 0.00 N ATOM 1432 CA ASP B 96 2.285 1.909 8.424 1.00 0.00 C ATOM 1433 C ASP B 96 1.668 0.614 8.951 1.00 0.00 C ATOM 1434 O ASP B 96 0.608 0.630 9.580 1.00 0.00 O ATOM 1435 CB ASP B 96 3.404 2.373 9.363 1.00 0.00 C ATOM 1436 CG ASP B 96 2.901 2.703 10.758 1.00 0.00 C ATOM 1437 OD1 ASP B 96 2.854 1.787 11.604 1.00 0.00 O ATOM 1438 OD2 ASP B 96 2.554 3.879 11.000 1.00 0.00 O ATOM 0 H ASP B 96 0.867 3.273 9.159 1.00 0.00 H new ATOM 0 HA ASP B 96 2.703 1.711 7.437 1.00 0.00 H new ATOM 0 HB2 ASP B 96 4.163 1.593 9.430 1.00 0.00 H new ATOM 0 HB3 ASP B 96 3.887 3.253 8.938 1.00 0.00 H new ATOM 1443 N LEU B 97 2.342 -0.508 8.687 1.00 0.00 N ATOM 1444 CA LEU B 97 1.873 -1.821 9.129 1.00 0.00 C ATOM 1445 C LEU B 97 3.039 -2.698 9.584 1.00 0.00 C ATOM 1446 O LEU B 97 2.879 -3.414 10.596 1.00 0.00 O ATOM 1447 CB LEU B 97 1.111 -2.526 8.001 1.00 0.00 C ATOM 1448 CG LEU B 97 0.051 -1.674 7.300 1.00 0.00 C ATOM 1449 CD1 LEU B 97 0.625 -1.030 6.047 1.00 0.00 C ATOM 1450 CD2 LEU B 97 -1.168 -2.516 6.957 1.00 0.00 C ATOM 1451 OXT LEU B 97 4.099 -2.668 8.921 1.00 0.00 O ATOM 0 H LEU B 97 3.219 -0.532 8.166 1.00 0.00 H new ATOM 0 HA LEU B 97 1.203 -1.666 9.975 1.00 0.00 H new ATOM 0 HB2 LEU B 97 1.830 -2.868 7.257 1.00 0.00 H new ATOM 0 HB3 LEU B 97 0.629 -3.414 8.410 1.00 0.00 H new ATOM 0 HG LEU B 97 -0.259 -0.882 7.981 1.00 0.00 H new ATOM 0 HD11 LEU B 97 -0.144 -0.428 5.562 1.00 0.00 H new ATOM 0 HD12 LEU B 97 1.467 -0.393 6.318 1.00 0.00 H new ATOM 0 HD13 LEU B 97 0.964 -1.807 5.361 1.00 0.00 H new ATOM 0 HD21 LEU B 97 -1.912 -1.894 6.459 1.00 0.00 H new ATOM 0 HD22 LEU B 97 -0.873 -3.330 6.294 1.00 0.00 H new ATOM 0 HD23 LEU B 97 -1.594 -2.929 7.871 1.00 0.00 H new TER 1463 LEU B 97