USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 919 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 87 THR OG1 : rot 130:sc= 0.448 USER MOD Set 1.2: A 89 GLN : amide:sc= 0.65 K(o=1.1,f=2) USER MOD Set 2.1: A 65 LYS NZ :NH3+ 174:sc= 1.22 (180deg=-0.0739) USER MOD Set 2.2: A 67 TYR OH : rot 105:sc= 2.25 USER MOD Set 3.1: A 43 SER OG : rot -110:sc= 1.4 USER MOD Set 3.2: A 45 SER OG : rot 31:sc= 0.528 USER MOD Set 3.3: A 46 ASN : amide:sc= -12! C(o=-10!,f=-12!) USER MOD Set 4.1: A 34 LYS NZ :NH3+ 165:sc= 1.2 (180deg=-0.0642) USER MOD Set 4.2: A 107 THR OG1 : rot 101:sc= 1.16 USER MOD Set 5.1: A 27 GLN : amide:sc= -0.428 K(o=-4.5,f=-3.3) USER MOD Set 5.2: A 33 ASN : amide:sc= -0.455 K(o=-4.5,f=-13!) USER MOD Set 5.3: A 110 CYS SG : rot 32:sc= 1.44 USER MOD Set 5.4: A 112 ASN : amide:sc= -5.02! C(o=-4.5!,f=-3.3!) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0685 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -49:sc= 0.411 USER MOD Single : A 13 LYS NZ :NH3+ -165:sc= 0.438 (180deg=0.34) USER MOD Single : A 18 THR OG1 : rot -52:sc= 0.598 USER MOD Single : A 20 SER OG : rot 150:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 166:sc= -0.627 (180deg=-0.962) USER MOD Single : A 32 MET CE :methyl -159:sc= -0.0912 (180deg=-1.42) USER MOD Single : A 37 SER OG : rot -80:sc= 1.2 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -160:sc= -0.0125 USER MOD Single : A 53 SER OG : rot -150:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -150:sc= 0.277 (180deg=-0.867!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0645 USER MOD Single : A 59 THR OG1 : rot -17:sc= 0.369 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.166 K(o=-0.17,f=-0.8) USER MOD Single : A 68 LYS NZ :NH3+ -175:sc= 0.86 (180deg=0.839) USER MOD Single : A 71 SER OG : rot 160:sc= -0.298 USER MOD Single : A 74 ASN : amide:sc= -1.46 K(o=-1.5,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 167:sc= 0.458 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.612 X(o=-0.61,f=-1) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 59:sc= 1.23 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 147:sc= 0.441 (180deg=-1.24!) USER MOD Single : A 103 CYS SG : rot -57:sc= -0.931! USER MOD Single : A 104 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.41) USER MOD Single : A 105 LYS NZ :NH3+ -172:sc= 0.716 (180deg=0.632) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.516 8.725 -14.382 1.00 0.00 N ATOM 2 CA GLY A 1 -23.771 8.504 -12.962 1.00 0.00 C ATOM 3 C GLY A 1 -24.261 9.762 -12.245 1.00 0.00 C ATOM 4 O GLY A 1 -24.444 10.813 -12.845 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.061 8.039 -14.943 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.804 9.690 -14.640 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.502 8.603 -14.576 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.514 7.715 -12.850 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.857 8.152 -12.484 1.00 0.00 H new ATOM 10 N SER A 2 -24.462 9.563 -10.928 1.00 0.00 N ATOM 11 CA SER A 2 -24.904 10.606 -10.009 1.00 0.00 C ATOM 12 C SER A 2 -26.399 10.933 -10.143 1.00 0.00 C ATOM 13 O SER A 2 -26.837 12.013 -9.767 1.00 0.00 O ATOM 14 CB SER A 2 -23.999 11.875 -10.081 1.00 0.00 C ATOM 15 OG SER A 2 -22.524 11.714 -10.126 1.00 0.00 O ATOM 0 H SER A 2 -24.318 8.660 -10.477 1.00 0.00 H new ATOM 0 HA SER A 2 -24.785 10.197 -9.006 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.294 12.438 -10.966 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.235 12.495 -9.216 1.00 0.00 H new ATOM 0 HG SER A 2 -22.100 12.596 -10.171 1.00 0.00 H new ATOM 21 N VAL A 3 -27.156 9.956 -10.689 1.00 0.00 N ATOM 22 CA VAL A 3 -28.611 10.118 -10.788 1.00 0.00 C ATOM 23 C VAL A 3 -29.203 9.827 -9.383 1.00 0.00 C ATOM 24 O VAL A 3 -30.189 10.400 -8.936 1.00 0.00 O ATOM 25 CB VAL A 3 -29.172 9.180 -11.874 1.00 0.00 C ATOM 26 CG1 VAL A 3 -30.685 9.370 -12.062 1.00 0.00 C ATOM 27 CG2 VAL A 3 -28.453 9.398 -13.217 1.00 0.00 C ATOM 0 H VAL A 3 -26.793 9.076 -11.055 1.00 0.00 H new ATOM 0 HA VAL A 3 -28.886 11.130 -11.087 1.00 0.00 H new ATOM 0 HB VAL A 3 -28.993 8.160 -11.535 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -31.044 8.691 -12.836 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -31.198 9.155 -11.125 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -30.888 10.399 -12.359 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -28.868 8.723 -13.966 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -28.592 10.429 -13.541 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -27.389 9.196 -13.097 1.00 0.00 H new ATOM 37 N ALA A 4 -28.465 8.899 -8.740 1.00 0.00 N ATOM 38 CA ALA A 4 -28.658 8.403 -7.390 1.00 0.00 C ATOM 39 C ALA A 4 -27.234 8.074 -6.881 1.00 0.00 C ATOM 40 O ALA A 4 -26.843 6.916 -6.817 1.00 0.00 O ATOM 41 CB ALA A 4 -29.549 7.156 -7.428 1.00 0.00 C ATOM 0 H ALA A 4 -27.667 8.455 -9.194 1.00 0.00 H new ATOM 0 HA ALA A 4 -29.152 9.120 -6.734 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -29.695 6.782 -6.415 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -30.515 7.412 -7.863 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -29.071 6.386 -8.034 1.00 0.00 H new ATOM 47 N PRO A 5 -26.451 9.144 -6.542 1.00 0.00 N ATOM 48 CA PRO A 5 -25.064 8.973 -6.113 1.00 0.00 C ATOM 49 C PRO A 5 -24.901 8.287 -4.744 1.00 0.00 C ATOM 50 O PRO A 5 -25.283 8.802 -3.702 1.00 0.00 O ATOM 51 CB PRO A 5 -24.492 10.400 -6.086 1.00 0.00 C ATOM 52 CG PRO A 5 -25.708 11.318 -5.939 1.00 0.00 C ATOM 53 CD PRO A 5 -26.887 10.543 -6.529 1.00 0.00 C ATOM 0 HA PRO A 5 -24.539 8.305 -6.796 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -23.798 10.530 -5.256 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -23.941 10.620 -7.000 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -25.887 11.566 -4.893 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -25.554 12.259 -6.468 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -27.786 10.671 -5.925 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -27.126 10.892 -7.534 1.00 0.00 H new ATOM 61 N VAL A 6 -24.281 7.095 -4.863 1.00 0.00 N ATOM 62 CA VAL A 6 -23.946 6.191 -3.766 1.00 0.00 C ATOM 63 C VAL A 6 -23.208 4.988 -4.392 1.00 0.00 C ATOM 64 O VAL A 6 -23.752 3.907 -4.571 1.00 0.00 O ATOM 65 CB VAL A 6 -25.177 5.797 -2.911 1.00 0.00 C ATOM 66 CG1 VAL A 6 -26.353 5.224 -3.718 1.00 0.00 C ATOM 67 CG2 VAL A 6 -24.791 4.854 -1.761 1.00 0.00 C ATOM 0 H VAL A 6 -23.991 6.729 -5.770 1.00 0.00 H new ATOM 0 HA VAL A 6 -23.295 6.685 -3.045 1.00 0.00 H new ATOM 0 HB VAL A 6 -25.537 6.736 -2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -27.171 4.975 -3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -26.693 5.965 -4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -26.030 4.325 -4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -25.681 4.600 -1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -24.351 3.944 -2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -24.067 5.348 -1.113 1.00 0.00 H new ATOM 77 N GLU A 7 -21.928 5.285 -4.722 1.00 0.00 N ATOM 78 CA GLU A 7 -21.006 4.344 -5.362 1.00 0.00 C ATOM 79 C GLU A 7 -21.333 4.202 -6.865 1.00 0.00 C ATOM 80 O GLU A 7 -22.438 3.848 -7.256 1.00 0.00 O ATOM 81 CB GLU A 7 -20.919 2.997 -4.613 1.00 0.00 C ATOM 82 CG GLU A 7 -19.790 2.070 -5.107 1.00 0.00 C ATOM 83 CD GLU A 7 -20.237 1.199 -6.295 1.00 0.00 C ATOM 84 OE1 GLU A 7 -20.875 0.173 -6.063 1.00 0.00 O ATOM 85 OE2 GLU A 7 -19.940 1.549 -7.435 1.00 0.00 O ATOM 0 H GLU A 7 -21.511 6.199 -4.545 1.00 0.00 H new ATOM 0 HA GLU A 7 -19.999 4.757 -5.297 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -20.774 3.194 -3.551 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -21.871 2.476 -4.713 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -18.930 2.671 -5.402 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -19.464 1.428 -4.289 1.00 0.00 H new ATOM 92 N THR A 8 -20.300 4.529 -7.674 1.00 0.00 N ATOM 93 CA THR A 8 -20.437 4.464 -9.130 1.00 0.00 C ATOM 94 C THR A 8 -19.065 4.389 -9.825 1.00 0.00 C ATOM 95 O THR A 8 -18.653 5.283 -10.557 1.00 0.00 O ATOM 96 CB THR A 8 -21.229 5.690 -9.689 1.00 0.00 C ATOM 97 OG1 THR A 8 -21.269 5.856 -11.148 1.00 0.00 O ATOM 98 CG2 THR A 8 -20.833 6.992 -8.931 1.00 0.00 C ATOM 0 H THR A 8 -19.384 4.833 -7.344 1.00 0.00 H new ATOM 0 HA THR A 8 -20.995 3.553 -9.347 1.00 0.00 H new ATOM 0 HB THR A 8 -22.272 5.456 -9.477 1.00 0.00 H new ATOM 0 HG1 THR A 8 -20.361 5.786 -11.510 1.00 0.00 H new ATOM 0 HG21 THR A 8 -21.395 7.834 -9.335 1.00 0.00 H new ATOM 0 HG22 THR A 8 -21.060 6.879 -7.871 1.00 0.00 H new ATOM 0 HG23 THR A 8 -19.766 7.175 -9.056 1.00 0.00 H new ATOM 106 N LEU A 9 -18.397 3.257 -9.536 1.00 0.00 N ATOM 107 CA LEU A 9 -17.079 2.994 -10.099 1.00 0.00 C ATOM 108 C LEU A 9 -16.755 1.497 -9.914 1.00 0.00 C ATOM 109 O LEU A 9 -16.188 1.059 -8.922 1.00 0.00 O ATOM 110 CB LEU A 9 -15.999 3.943 -9.526 1.00 0.00 C ATOM 111 CG LEU A 9 -16.219 4.453 -8.084 1.00 0.00 C ATOM 112 CD1 LEU A 9 -16.284 3.331 -7.045 1.00 0.00 C ATOM 113 CD2 LEU A 9 -15.114 5.450 -7.710 1.00 0.00 C ATOM 0 H LEU A 9 -18.751 2.523 -8.922 1.00 0.00 H new ATOM 0 HA LEU A 9 -17.083 3.209 -11.168 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -15.039 3.428 -9.562 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -15.921 4.808 -10.185 1.00 0.00 H new ATOM 0 HG LEU A 9 -17.192 4.944 -8.071 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -16.440 3.760 -6.055 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -17.110 2.661 -7.284 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.349 2.772 -7.055 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -15.274 5.806 -6.692 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.143 4.958 -7.774 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -15.138 6.295 -8.398 1.00 0.00 H new ATOM 125 N GLU A 10 -17.141 0.758 -10.974 1.00 0.00 N ATOM 126 CA GLU A 10 -16.977 -0.690 -11.057 1.00 0.00 C ATOM 127 C GLU A 10 -15.538 -1.104 -11.449 1.00 0.00 C ATOM 128 O GLU A 10 -15.249 -2.288 -11.580 1.00 0.00 O ATOM 129 CB GLU A 10 -17.996 -1.225 -12.081 1.00 0.00 C ATOM 130 CG GLU A 10 -17.780 -0.685 -13.509 1.00 0.00 C ATOM 131 CD GLU A 10 -18.883 -1.180 -14.458 1.00 0.00 C ATOM 132 OE1 GLU A 10 -19.916 -0.516 -14.560 1.00 0.00 O ATOM 133 OE2 GLU A 10 -18.698 -2.220 -15.085 1.00 0.00 O ATOM 0 H GLU A 10 -17.579 1.164 -11.801 1.00 0.00 H new ATOM 0 HA GLU A 10 -17.155 -1.122 -10.072 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -17.940 -2.313 -12.101 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -19.001 -0.963 -11.751 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -17.772 0.405 -13.492 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -16.806 -1.005 -13.879 1.00 0.00 H new ATOM 140 N VAL A 11 -14.663 -0.090 -11.632 1.00 0.00 N ATOM 141 CA VAL A 11 -13.275 -0.327 -12.011 1.00 0.00 C ATOM 142 C VAL A 11 -12.425 -0.619 -10.755 1.00 0.00 C ATOM 143 O VAL A 11 -12.284 -1.766 -10.351 1.00 0.00 O ATOM 144 CB VAL A 11 -12.763 0.838 -12.896 1.00 0.00 C ATOM 145 CG1 VAL A 11 -13.080 0.567 -14.374 1.00 0.00 C ATOM 146 CG2 VAL A 11 -13.336 2.216 -12.505 1.00 0.00 C ATOM 0 H VAL A 11 -14.905 0.895 -11.521 1.00 0.00 H new ATOM 0 HA VAL A 11 -13.187 -1.220 -12.630 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.686 0.879 -12.732 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.714 1.394 -14.982 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -12.593 -0.357 -14.687 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -14.158 0.471 -14.503 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -12.932 2.980 -13.169 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -14.422 2.197 -12.593 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -13.060 2.446 -11.476 1.00 0.00 H new ATOM 156 N GLU A 12 -11.869 0.471 -10.180 1.00 0.00 N ATOM 157 CA GLU A 12 -11.032 0.392 -8.983 1.00 0.00 C ATOM 158 C GLU A 12 -9.782 -0.477 -9.245 1.00 0.00 C ATOM 159 O GLU A 12 -9.280 -0.624 -10.354 1.00 0.00 O ATOM 160 CB GLU A 12 -11.848 -0.104 -7.759 1.00 0.00 C ATOM 161 CG GLU A 12 -13.242 0.514 -7.563 1.00 0.00 C ATOM 162 CD GLU A 12 -13.897 -0.019 -6.263 1.00 0.00 C ATOM 163 OE1 GLU A 12 -13.545 -1.116 -5.817 1.00 0.00 O ATOM 164 OE2 GLU A 12 -14.748 0.672 -5.704 1.00 0.00 O ATOM 0 H GLU A 12 -11.992 1.419 -10.537 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.682 1.396 -8.741 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.963 -1.185 -7.842 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.262 0.086 -6.860 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.161 1.600 -7.517 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.874 0.277 -8.419 1.00 0.00 H new ATOM 171 N LYS A 13 -9.338 -1.012 -8.094 1.00 0.00 N ATOM 172 CA LYS A 13 -8.279 -1.962 -7.928 1.00 0.00 C ATOM 173 C LYS A 13 -6.892 -1.390 -8.065 1.00 0.00 C ATOM 174 O LYS A 13 -6.056 -1.757 -7.253 1.00 0.00 O ATOM 175 CB LYS A 13 -8.608 -3.220 -8.714 1.00 0.00 C ATOM 176 CG LYS A 13 -10.051 -3.636 -8.396 1.00 0.00 C ATOM 177 CD LYS A 13 -10.340 -3.816 -6.896 1.00 0.00 C ATOM 178 CE LYS A 13 -11.654 -4.586 -6.687 1.00 0.00 C ATOM 179 NZ LYS A 13 -12.217 -4.442 -5.351 1.00 0.00 N ATOM 0 H LYS A 13 -9.758 -0.757 -7.200 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.228 -2.272 -6.884 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.494 -3.038 -9.783 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.917 -4.021 -8.451 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.731 -2.884 -8.798 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.269 -4.571 -8.911 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.518 -4.354 -6.424 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.403 -2.841 -6.413 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.386 -4.242 -7.418 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.479 -5.644 -6.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.943 -5.171 -5.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.463 -4.552 -4.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.647 -3.500 -5.255 1.00 0.00 H new ATOM 193 N TRP A 14 -6.636 -0.491 -9.056 1.00 0.00 N ATOM 194 CA TRP A 14 -5.265 0.018 -9.101 1.00 0.00 C ATOM 195 C TRP A 14 -4.962 0.831 -7.847 1.00 0.00 C ATOM 196 O TRP A 14 -3.887 0.726 -7.278 1.00 0.00 O ATOM 197 CB TRP A 14 -4.784 0.634 -10.430 1.00 0.00 C ATOM 198 CG TRP A 14 -5.004 2.106 -10.746 1.00 0.00 C ATOM 199 CD1 TRP A 14 -5.716 2.568 -11.857 1.00 0.00 C ATOM 200 CD2 TRP A 14 -4.403 3.280 -10.143 1.00 0.00 C ATOM 201 NE1 TRP A 14 -5.572 3.908 -11.971 1.00 0.00 N ATOM 202 CE2 TRP A 14 -4.776 4.388 -10.946 1.00 0.00 C ATOM 203 CE3 TRP A 14 -3.605 3.491 -9.047 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.341 5.647 -10.630 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.178 4.775 -8.719 1.00 0.00 C ATOM 206 CH2 TRP A 14 -3.547 5.854 -9.511 1.00 0.00 C ATOM 0 H TRP A 14 -7.290 -0.143 -9.757 1.00 0.00 H new ATOM 0 HA TRP A 14 -4.623 -0.863 -9.088 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.711 0.452 -10.494 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -5.252 0.064 -11.232 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.295 1.947 -12.525 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -5.989 4.481 -12.705 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -3.306 2.654 -8.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.617 6.483 -11.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.559 4.932 -7.848 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.217 6.851 -9.257 1.00 0.00 H new ATOM 217 N PHE A 15 -5.984 1.609 -7.435 1.00 0.00 N ATOM 218 CA PHE A 15 -5.850 2.429 -6.242 1.00 0.00 C ATOM 219 C PHE A 15 -6.467 1.710 -5.023 1.00 0.00 C ATOM 220 O PHE A 15 -7.666 1.458 -4.977 1.00 0.00 O ATOM 221 CB PHE A 15 -6.509 3.790 -6.490 1.00 0.00 C ATOM 222 CG PHE A 15 -6.162 4.768 -5.403 1.00 0.00 C ATOM 223 CD1 PHE A 15 -4.867 5.269 -5.307 1.00 0.00 C ATOM 224 CD2 PHE A 15 -7.119 5.178 -4.479 1.00 0.00 C ATOM 225 CE1 PHE A 15 -4.534 6.175 -4.309 1.00 0.00 C ATOM 226 CE2 PHE A 15 -6.788 6.081 -3.478 1.00 0.00 C ATOM 227 CZ PHE A 15 -5.496 6.581 -3.394 1.00 0.00 C ATOM 0 H PHE A 15 -6.886 1.678 -7.907 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.795 2.591 -6.021 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.185 4.183 -7.454 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.591 3.669 -6.542 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.115 4.951 -6.014 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.125 4.791 -4.541 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.528 6.563 -4.245 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.536 6.394 -2.765 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.239 7.286 -2.617 1.00 0.00 H new ATOM 237 N PHE A 16 -5.570 1.395 -4.055 1.00 0.00 N ATOM 238 CA PHE A 16 -5.942 0.719 -2.804 1.00 0.00 C ATOM 239 C PHE A 16 -5.536 1.597 -1.608 1.00 0.00 C ATOM 240 O PHE A 16 -5.010 2.696 -1.739 1.00 0.00 O ATOM 241 CB PHE A 16 -5.334 -0.717 -2.734 1.00 0.00 C ATOM 242 CG PHE A 16 -6.410 -1.771 -2.826 1.00 0.00 C ATOM 243 CD1 PHE A 16 -7.320 -1.759 -3.881 1.00 0.00 C ATOM 244 CD2 PHE A 16 -6.533 -2.753 -1.844 1.00 0.00 C ATOM 245 CE1 PHE A 16 -8.355 -2.680 -3.933 1.00 0.00 C ATOM 246 CE2 PHE A 16 -7.571 -3.678 -1.904 1.00 0.00 C ATOM 247 CZ PHE A 16 -8.486 -3.635 -2.940 1.00 0.00 C ATOM 0 H PHE A 16 -4.574 1.605 -4.127 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.023 0.587 -2.770 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.619 -0.852 -3.546 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.783 -0.836 -1.801 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.218 -1.025 -4.666 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -5.820 -2.796 -1.034 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.061 -2.652 -4.750 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -7.662 -4.433 -1.138 1.00 0.00 H new ATOM 0 HZ PHE A 16 -9.300 -4.344 -2.974 1.00 0.00 H new ATOM 257 N ARG A 17 -5.856 1.018 -0.435 1.00 0.00 N ATOM 258 CA ARG A 17 -5.578 1.613 0.867 1.00 0.00 C ATOM 259 C ARG A 17 -4.578 0.725 1.624 1.00 0.00 C ATOM 260 O ARG A 17 -4.028 -0.226 1.090 1.00 0.00 O ATOM 261 CB ARG A 17 -6.906 1.760 1.637 1.00 0.00 C ATOM 262 CG ARG A 17 -7.729 2.955 1.145 1.00 0.00 C ATOM 263 CD ARG A 17 -9.052 3.088 1.910 1.00 0.00 C ATOM 264 NE ARG A 17 -9.851 4.198 1.397 1.00 0.00 N ATOM 265 CZ ARG A 17 -10.556 4.118 0.248 1.00 0.00 C ATOM 266 NH1 ARG A 17 -10.549 3.010 -0.484 1.00 0.00 N ATOM 267 NH2 ARG A 17 -11.266 5.159 -0.162 1.00 0.00 N ATOM 0 H ARG A 17 -6.321 0.112 -0.375 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.133 2.602 0.757 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.491 0.847 1.526 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.697 1.878 2.700 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.148 3.870 1.262 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.934 2.842 0.081 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.618 2.160 1.826 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.848 3.243 2.970 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.877 5.068 1.928 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.005 2.202 -0.181 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.087 2.967 -1.349 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.279 6.017 0.390 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.800 5.102 -1.029 1.00 0.00 H new ATOM 281 N THR A 18 -4.391 1.132 2.890 1.00 0.00 N ATOM 282 CA THR A 18 -3.522 0.524 3.882 1.00 0.00 C ATOM 283 C THR A 18 -4.049 -0.853 4.301 1.00 0.00 C ATOM 284 O THR A 18 -4.643 -1.060 5.352 1.00 0.00 O ATOM 285 CB THR A 18 -3.342 1.424 5.148 1.00 0.00 C ATOM 286 OG1 THR A 18 -2.955 0.750 6.390 1.00 0.00 O ATOM 287 CG2 THR A 18 -4.520 2.437 5.313 1.00 0.00 C ATOM 0 H THR A 18 -4.879 1.947 3.261 1.00 0.00 H new ATOM 0 HA THR A 18 -2.546 0.411 3.410 1.00 0.00 H new ATOM 0 HB THR A 18 -2.442 2.000 4.934 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.569 0.006 6.564 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.357 3.043 6.204 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.568 3.085 4.438 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.458 1.891 5.413 1.00 0.00 H new ATOM 295 N ILE A 19 -3.752 -1.759 3.365 1.00 0.00 N ATOM 296 CA ILE A 19 -4.037 -3.176 3.482 1.00 0.00 C ATOM 297 C ILE A 19 -2.707 -3.772 3.934 1.00 0.00 C ATOM 298 O ILE A 19 -1.666 -3.142 3.782 1.00 0.00 O ATOM 299 CB ILE A 19 -4.476 -3.731 2.113 1.00 0.00 C ATOM 300 CG1 ILE A 19 -5.445 -4.902 2.244 1.00 0.00 C ATOM 301 CG2 ILE A 19 -3.341 -4.043 1.127 1.00 0.00 C ATOM 302 CD1 ILE A 19 -5.791 -5.536 0.887 1.00 0.00 C ATOM 0 H ILE A 19 -3.296 -1.513 2.487 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.845 -3.409 4.176 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.008 -2.895 1.659 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.008 -5.660 2.894 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.361 -4.559 2.725 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.762 -4.427 0.198 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.777 -3.133 0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.677 -4.791 1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.484 -6.364 1.038 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.255 -4.788 0.244 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.881 -5.906 0.416 1.00 0.00 H new ATOM 314 N SER A 20 -2.761 -4.991 4.497 1.00 0.00 N ATOM 315 CA SER A 20 -1.473 -5.551 4.911 1.00 0.00 C ATOM 316 C SER A 20 -0.710 -5.970 3.650 1.00 0.00 C ATOM 317 O SER A 20 -1.274 -6.192 2.588 1.00 0.00 O ATOM 318 CB SER A 20 -1.625 -6.809 5.814 1.00 0.00 C ATOM 319 OG SER A 20 -0.446 -7.624 6.217 1.00 0.00 O ATOM 0 H SER A 20 -3.593 -5.557 4.663 1.00 0.00 H new ATOM 0 HA SER A 20 -0.949 -4.787 5.485 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.113 -6.483 6.732 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.317 -7.482 5.307 1.00 0.00 H new ATOM 0 HG SER A 20 -0.612 -8.029 7.094 1.00 0.00 H new ATOM 325 N ARG A 21 0.612 -6.069 3.851 1.00 0.00 N ATOM 326 CA ARG A 21 1.512 -6.463 2.777 1.00 0.00 C ATOM 327 C ARG A 21 1.036 -7.762 2.096 1.00 0.00 C ATOM 328 O ARG A 21 0.964 -7.835 0.879 1.00 0.00 O ATOM 329 CB ARG A 21 2.946 -6.620 3.314 1.00 0.00 C ATOM 330 CG ARG A 21 3.992 -6.457 2.204 1.00 0.00 C ATOM 331 CD ARG A 21 5.427 -6.767 2.661 1.00 0.00 C ATOM 332 NE ARG A 21 5.662 -8.209 2.712 1.00 0.00 N ATOM 333 CZ ARG A 21 5.860 -8.947 1.598 1.00 0.00 C ATOM 334 NH1 ARG A 21 5.898 -8.384 0.399 1.00 0.00 N ATOM 335 NH2 ARG A 21 6.016 -10.259 1.699 1.00 0.00 N ATOM 0 H ARG A 21 1.071 -5.882 4.742 1.00 0.00 H new ATOM 0 HA ARG A 21 1.507 -5.676 2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.125 -5.879 4.094 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.056 -7.601 3.775 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.734 -7.114 1.374 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.953 -5.435 1.826 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.138 -6.303 1.977 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.601 -6.332 3.645 1.00 0.00 H new ATOM 0 HE ARG A 21 5.677 -8.674 3.620 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.777 -7.376 0.305 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.049 -8.959 -0.430 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.986 -10.707 2.615 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.166 -10.821 0.861 1.00 0.00 H new ATOM 349 N LYS A 22 0.679 -8.755 2.948 1.00 0.00 N ATOM 350 CA LYS A 22 0.225 -10.032 2.397 1.00 0.00 C ATOM 351 C LYS A 22 -1.186 -10.021 1.832 1.00 0.00 C ATOM 352 O LYS A 22 -1.571 -10.908 1.081 1.00 0.00 O ATOM 353 CB LYS A 22 0.397 -11.198 3.374 1.00 0.00 C ATOM 354 CG LYS A 22 -0.574 -11.497 4.532 1.00 0.00 C ATOM 355 CD LYS A 22 -1.656 -10.485 4.829 1.00 0.00 C ATOM 356 CE LYS A 22 -2.106 -10.535 6.296 1.00 0.00 C ATOM 357 NZ LYS A 22 -3.287 -9.727 6.577 1.00 0.00 N ATOM 0 H LYS A 22 0.698 -8.694 3.966 1.00 0.00 H new ATOM 0 HA LYS A 22 0.892 -10.188 1.549 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.435 -12.102 2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.382 -11.075 3.825 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.057 -12.452 4.325 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.017 -11.629 5.438 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.290 -9.485 4.596 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.513 -10.670 4.181 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.312 -11.570 6.568 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.286 -10.196 6.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.672 -9.987 7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.026 -8.720 6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.006 -9.897 5.845 1.00 0.00 H new ATOM 371 N ASP A 23 -1.934 -8.977 2.232 1.00 0.00 N ATOM 372 CA ASP A 23 -3.310 -8.899 1.789 1.00 0.00 C ATOM 373 C ASP A 23 -3.364 -8.431 0.340 1.00 0.00 C ATOM 374 O ASP A 23 -4.090 -8.939 -0.498 1.00 0.00 O ATOM 375 CB ASP A 23 -4.132 -7.923 2.648 1.00 0.00 C ATOM 376 CG ASP A 23 -4.602 -8.502 3.991 1.00 0.00 C ATOM 377 OD1 ASP A 23 -4.819 -9.709 4.087 1.00 0.00 O ATOM 378 OD2 ASP A 23 -4.767 -7.730 4.933 1.00 0.00 O ATOM 0 H ASP A 23 -1.616 -8.216 2.833 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.738 -9.897 1.886 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.533 -7.033 2.840 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.005 -7.603 2.079 1.00 0.00 H new ATOM 383 N ALA A 24 -2.540 -7.415 0.107 1.00 0.00 N ATOM 384 CA ALA A 24 -2.456 -6.863 -1.236 1.00 0.00 C ATOM 385 C ALA A 24 -1.887 -7.940 -2.185 1.00 0.00 C ATOM 386 O ALA A 24 -2.332 -8.136 -3.307 1.00 0.00 O ATOM 387 CB ALA A 24 -1.635 -5.575 -1.174 1.00 0.00 C ATOM 0 H ALA A 24 -1.942 -6.971 0.804 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.432 -6.593 -1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.559 -5.143 -2.172 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.123 -4.864 -0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.636 -5.798 -0.798 1.00 0.00 H new ATOM 393 N GLU A 25 -0.916 -8.677 -1.619 1.00 0.00 N ATOM 394 CA GLU A 25 -0.301 -9.757 -2.367 1.00 0.00 C ATOM 395 C GLU A 25 -1.350 -10.848 -2.658 1.00 0.00 C ATOM 396 O GLU A 25 -1.320 -11.454 -3.715 1.00 0.00 O ATOM 397 CB GLU A 25 0.893 -10.337 -1.588 1.00 0.00 C ATOM 398 CG GLU A 25 2.111 -9.396 -1.564 1.00 0.00 C ATOM 399 CD GLU A 25 3.269 -9.959 -0.717 1.00 0.00 C ATOM 400 OE1 GLU A 25 3.115 -10.089 0.496 1.00 0.00 O ATOM 401 OE2 GLU A 25 4.326 -10.253 -1.277 1.00 0.00 O ATOM 0 H GLU A 25 -0.557 -8.542 -0.674 1.00 0.00 H new ATOM 0 HA GLU A 25 0.073 -9.370 -3.315 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.584 -10.548 -0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.184 -11.287 -2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.458 -9.228 -2.584 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.811 -8.427 -1.166 1.00 0.00 H new ATOM 408 N ARG A 26 -2.313 -11.031 -1.716 1.00 0.00 N ATOM 409 CA ARG A 26 -3.319 -12.080 -1.910 1.00 0.00 C ATOM 410 C ARG A 26 -4.199 -11.754 -3.128 1.00 0.00 C ATOM 411 O ARG A 26 -4.740 -12.626 -3.795 1.00 0.00 O ATOM 412 CB ARG A 26 -4.223 -12.248 -0.654 1.00 0.00 C ATOM 413 CG ARG A 26 -5.535 -11.420 -0.566 1.00 0.00 C ATOM 414 CD ARG A 26 -5.968 -10.929 0.827 1.00 0.00 C ATOM 415 NE ARG A 26 -7.426 -10.853 0.863 1.00 0.00 N ATOM 416 CZ ARG A 26 -8.119 -10.431 1.938 1.00 0.00 C ATOM 417 NH1 ARG A 26 -7.506 -10.055 3.053 1.00 0.00 N ATOM 418 NH2 ARG A 26 -9.442 -10.390 1.885 1.00 0.00 N ATOM 0 H ARG A 26 -2.405 -10.488 -0.857 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.786 -13.016 -2.078 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.491 -13.302 -0.577 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.621 -12.008 0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.428 -10.549 -1.212 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.344 -12.025 -0.977 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.606 -11.610 1.597 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.533 -9.951 1.035 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.946 -11.134 0.032 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.488 -10.082 3.109 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.053 -9.739 3.854 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.927 -10.677 1.035 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.975 -10.072 2.694 1.00 0.00 H new ATOM 432 N GLN A 27 -4.294 -10.427 -3.352 1.00 0.00 N ATOM 433 CA GLN A 27 -5.114 -9.917 -4.446 1.00 0.00 C ATOM 434 C GLN A 27 -4.483 -10.144 -5.825 1.00 0.00 C ATOM 435 O GLN A 27 -5.031 -10.860 -6.655 1.00 0.00 O ATOM 436 CB GLN A 27 -5.478 -8.445 -4.232 1.00 0.00 C ATOM 437 CG GLN A 27 -6.304 -8.235 -2.959 1.00 0.00 C ATOM 438 CD GLN A 27 -7.773 -8.678 -3.080 1.00 0.00 C ATOM 439 OE1 GLN A 27 -8.658 -7.895 -3.389 1.00 0.00 O ATOM 440 NE2 GLN A 27 -7.985 -9.969 -2.787 1.00 0.00 N ATOM 0 H GLN A 27 -3.821 -9.712 -2.799 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.036 -10.498 -4.434 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.566 -7.851 -4.174 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.040 -8.082 -5.092 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.837 -8.784 -2.141 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.276 -7.179 -2.691 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.200 -10.571 -2.536 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.931 -10.350 -2.815 1.00 0.00 H new ATOM 449 N LEU A 28 -3.308 -9.508 -6.023 1.00 0.00 N ATOM 450 CA LEU A 28 -2.613 -9.612 -7.300 1.00 0.00 C ATOM 451 C LEU A 28 -2.163 -11.038 -7.621 1.00 0.00 C ATOM 452 O LEU A 28 -2.124 -11.399 -8.790 1.00 0.00 O ATOM 453 CB LEU A 28 -1.457 -8.607 -7.333 1.00 0.00 C ATOM 454 CG LEU A 28 -1.971 -7.188 -7.500 1.00 0.00 C ATOM 455 CD1 LEU A 28 -0.920 -6.223 -6.985 1.00 0.00 C ATOM 456 CD2 LEU A 28 -2.232 -6.945 -8.979 1.00 0.00 C ATOM 0 H LEU A 28 -2.839 -8.932 -5.324 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.317 -9.360 -8.093 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.880 -8.682 -6.412 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.782 -8.851 -8.153 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.894 -7.039 -6.939 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.278 -5.200 -7.100 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.727 -6.424 -5.931 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.001 -6.351 -7.553 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.602 -5.930 -9.121 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.305 -7.075 -9.538 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.975 -7.656 -9.339 1.00 0.00 H new ATOM 468 N LEU A 29 -1.868 -11.853 -6.573 1.00 0.00 N ATOM 469 CA LEU A 29 -1.444 -13.216 -6.864 1.00 0.00 C ATOM 470 C LEU A 29 -2.600 -14.059 -7.440 1.00 0.00 C ATOM 471 O LEU A 29 -2.355 -15.145 -7.948 1.00 0.00 O ATOM 472 CB LEU A 29 -0.853 -13.852 -5.611 1.00 0.00 C ATOM 473 CG LEU A 29 0.476 -13.203 -5.190 1.00 0.00 C ATOM 474 CD1 LEU A 29 0.769 -13.586 -3.745 1.00 0.00 C ATOM 475 CD2 LEU A 29 1.627 -13.641 -6.102 1.00 0.00 C ATOM 0 H LEU A 29 -1.916 -11.598 -5.587 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.671 -13.183 -7.632 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.569 -13.769 -4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.694 -14.916 -5.788 1.00 0.00 H new ATOM 0 HG LEU A 29 0.387 -12.120 -5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.710 -13.133 -3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.037 -13.229 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.844 -14.670 -3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.551 -13.164 -5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.740 -14.724 -6.051 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.410 -13.347 -7.129 1.00 0.00 H new ATOM 487 N ALA A 30 -3.850 -13.531 -7.366 1.00 0.00 N ATOM 488 CA ALA A 30 -4.980 -14.266 -7.945 1.00 0.00 C ATOM 489 C ALA A 30 -4.665 -14.612 -9.427 1.00 0.00 C ATOM 490 O ALA A 30 -4.245 -13.747 -10.187 1.00 0.00 O ATOM 491 CB ALA A 30 -6.260 -13.418 -7.913 1.00 0.00 C ATOM 0 H ALA A 30 -4.085 -12.639 -6.930 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.132 -15.172 -7.358 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.083 -13.985 -8.348 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.501 -13.162 -6.881 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.106 -12.504 -8.487 1.00 0.00 H new ATOM 497 N PRO A 31 -4.899 -15.900 -9.816 1.00 0.00 N ATOM 498 CA PRO A 31 -4.619 -16.382 -11.176 1.00 0.00 C ATOM 499 C PRO A 31 -5.465 -15.736 -12.294 1.00 0.00 C ATOM 500 O PRO A 31 -5.296 -16.018 -13.473 1.00 0.00 O ATOM 501 CB PRO A 31 -4.896 -17.891 -11.097 1.00 0.00 C ATOM 502 CG PRO A 31 -5.865 -18.036 -9.925 1.00 0.00 C ATOM 503 CD PRO A 31 -5.472 -16.931 -8.957 1.00 0.00 C ATOM 0 HA PRO A 31 -3.599 -16.120 -11.456 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.333 -18.264 -12.023 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.979 -18.455 -10.927 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.899 -17.927 -10.251 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.779 -19.018 -9.460 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.335 -16.557 -8.405 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.751 -17.283 -8.220 1.00 0.00 H new ATOM 511 N MET A 32 -6.371 -14.851 -11.838 1.00 0.00 N ATOM 512 CA MET A 32 -7.277 -14.104 -12.670 1.00 0.00 C ATOM 513 C MET A 32 -6.600 -12.900 -13.367 1.00 0.00 C ATOM 514 O MET A 32 -7.163 -12.322 -14.288 1.00 0.00 O ATOM 515 CB MET A 32 -8.374 -13.642 -11.715 1.00 0.00 C ATOM 516 CG MET A 32 -9.333 -14.773 -11.319 1.00 0.00 C ATOM 517 SD MET A 32 -10.722 -14.177 -10.334 1.00 0.00 S ATOM 518 CE MET A 32 -9.931 -14.113 -8.718 1.00 0.00 C ATOM 0 H MET A 32 -6.480 -14.644 -10.845 1.00 0.00 H new ATOM 0 HA MET A 32 -7.656 -14.715 -13.489 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.916 -13.228 -10.816 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.942 -12.838 -12.183 1.00 0.00 H new ATOM 0 HG2 MET A 32 -9.710 -15.259 -12.219 1.00 0.00 H new ATOM 0 HG3 MET A 32 -8.787 -15.529 -10.754 1.00 0.00 H new ATOM 0 HE1 MET A 32 -10.693 -14.132 -7.939 1.00 0.00 H new ATOM 0 HE2 MET A 32 -9.271 -14.973 -8.601 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.349 -13.195 -8.634 1.00 0.00 H new ATOM 528 N ASN A 33 -5.384 -12.549 -12.881 1.00 0.00 N ATOM 529 CA ASN A 33 -4.626 -11.423 -13.445 1.00 0.00 C ATOM 530 C ASN A 33 -3.147 -11.804 -13.652 1.00 0.00 C ATOM 531 O ASN A 33 -2.736 -12.923 -13.371 1.00 0.00 O ATOM 532 CB ASN A 33 -4.790 -10.163 -12.581 1.00 0.00 C ATOM 533 CG ASN A 33 -6.269 -9.917 -12.282 1.00 0.00 C ATOM 534 OD1 ASN A 33 -6.796 -10.338 -11.262 1.00 0.00 O ATOM 535 ND2 ASN A 33 -6.895 -9.217 -13.240 1.00 0.00 N ATOM 0 H ASN A 33 -4.918 -13.027 -12.110 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.034 -11.189 -14.428 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.237 -10.278 -11.649 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.368 -9.301 -13.098 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.887 -8.999 -13.147 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.379 -8.903 -14.062 1.00 0.00 H new ATOM 542 N LYS A 34 -2.379 -10.805 -14.150 1.00 0.00 N ATOM 543 CA LYS A 34 -0.969 -11.040 -14.455 1.00 0.00 C ATOM 544 C LYS A 34 -0.119 -9.773 -14.307 1.00 0.00 C ATOM 545 O LYS A 34 -0.622 -8.679 -14.103 1.00 0.00 O ATOM 546 CB LYS A 34 -0.886 -11.582 -15.894 1.00 0.00 C ATOM 547 CG LYS A 34 -1.599 -10.717 -16.954 1.00 0.00 C ATOM 548 CD LYS A 34 -0.893 -9.389 -17.264 1.00 0.00 C ATOM 549 CE LYS A 34 -1.423 -8.689 -18.515 1.00 0.00 C ATOM 550 NZ LYS A 34 -0.550 -7.593 -18.924 1.00 0.00 N ATOM 0 H LYS A 34 -2.710 -9.859 -14.341 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.566 -11.759 -13.742 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.164 -11.679 -16.171 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.315 -12.584 -15.915 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.687 -11.292 -17.876 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.612 -10.505 -16.612 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.004 -8.721 -16.410 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.174 -9.575 -17.387 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.509 -9.410 -19.328 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.425 -8.305 -18.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.785 -7.306 -19.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.683 -6.785 -18.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.441 -7.906 -18.886 1.00 0.00 H new ATOM 564 N ALA A 35 1.203 -10.012 -14.459 1.00 0.00 N ATOM 565 CA ALA A 35 2.247 -8.995 -14.421 1.00 0.00 C ATOM 566 C ALA A 35 1.821 -7.734 -15.172 1.00 0.00 C ATOM 567 O ALA A 35 1.512 -7.735 -16.359 1.00 0.00 O ATOM 568 CB ALA A 35 3.540 -9.555 -15.029 1.00 0.00 C ATOM 0 H ALA A 35 1.571 -10.950 -14.616 1.00 0.00 H new ATOM 0 HA ALA A 35 2.421 -8.724 -13.379 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.317 -8.791 -14.998 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.864 -10.425 -14.458 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.359 -9.847 -16.063 1.00 0.00 H new ATOM 574 N GLY A 36 1.823 -6.670 -14.356 1.00 0.00 N ATOM 575 CA GLY A 36 1.440 -5.361 -14.815 1.00 0.00 C ATOM 576 C GLY A 36 0.201 -4.882 -14.061 1.00 0.00 C ATOM 577 O GLY A 36 0.138 -3.719 -13.731 1.00 0.00 O ATOM 0 H GLY A 36 2.090 -6.709 -13.372 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.261 -4.660 -14.664 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.236 -5.388 -15.885 1.00 0.00 H new ATOM 581 N SER A 37 -0.771 -5.788 -13.774 1.00 0.00 N ATOM 582 CA SER A 37 -1.962 -5.464 -12.979 1.00 0.00 C ATOM 583 C SER A 37 -1.485 -4.973 -11.600 1.00 0.00 C ATOM 584 O SER A 37 -0.361 -5.285 -11.204 1.00 0.00 O ATOM 585 CB SER A 37 -2.909 -6.700 -12.912 1.00 0.00 C ATOM 586 OG SER A 37 -2.388 -7.984 -12.384 1.00 0.00 O ATOM 0 H SER A 37 -0.741 -6.757 -14.091 1.00 0.00 H new ATOM 0 HA SER A 37 -2.551 -4.668 -13.434 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.770 -6.421 -12.304 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.278 -6.886 -13.921 1.00 0.00 H new ATOM 0 HG SER A 37 -1.871 -8.439 -13.081 1.00 0.00 H new ATOM 592 N PHE A 38 -2.396 -4.230 -10.883 1.00 0.00 N ATOM 593 CA PHE A 38 -1.844 -3.625 -9.660 1.00 0.00 C ATOM 594 C PHE A 38 -2.925 -3.501 -8.535 1.00 0.00 C ATOM 595 O PHE A 38 -4.060 -3.960 -8.610 1.00 0.00 O ATOM 596 CB PHE A 38 -1.745 -2.079 -9.954 1.00 0.00 C ATOM 597 CG PHE A 38 -1.577 -1.686 -11.371 1.00 0.00 C ATOM 598 CD1 PHE A 38 -0.352 -1.601 -11.956 1.00 0.00 C ATOM 599 CD2 PHE A 38 -2.716 -1.342 -12.094 1.00 0.00 C ATOM 600 CE1 PHE A 38 -0.276 -1.142 -13.249 1.00 0.00 C ATOM 601 CE2 PHE A 38 -2.636 -0.866 -13.390 1.00 0.00 C ATOM 602 CZ PHE A 38 -1.390 -0.756 -13.971 1.00 0.00 C ATOM 0 H PHE A 38 -3.378 -4.060 -11.102 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.956 -4.199 -9.396 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.647 -1.601 -9.572 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.906 -1.677 -9.387 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.539 -1.887 -11.417 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.686 -1.450 -11.631 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.694 -1.080 -13.720 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.527 -0.587 -13.933 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.286 -0.374 -14.976 1.00 0.00 H new ATOM 612 N LEU A 39 -2.394 -2.709 -7.546 1.00 0.00 N ATOM 613 CA LEU A 39 -2.956 -2.131 -6.312 1.00 0.00 C ATOM 614 C LEU A 39 -1.967 -1.021 -5.924 1.00 0.00 C ATOM 615 O LEU A 39 -0.852 -0.996 -6.435 1.00 0.00 O ATOM 616 CB LEU A 39 -3.023 -3.002 -5.045 1.00 0.00 C ATOM 617 CG LEU A 39 -3.181 -4.484 -5.252 1.00 0.00 C ATOM 618 CD1 LEU A 39 -2.435 -5.211 -4.155 1.00 0.00 C ATOM 619 CD2 LEU A 39 -4.601 -4.948 -5.163 1.00 0.00 C ATOM 0 H LEU A 39 -1.416 -2.431 -7.627 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.987 -1.883 -6.563 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.114 -2.834 -4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.856 -2.653 -4.435 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.801 -4.695 -6.252 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.542 -6.287 -4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.379 -4.943 -4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.846 -4.928 -3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.642 -6.026 -5.322 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.000 -4.711 -4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.196 -4.446 -5.926 1.00 0.00 H new ATOM 631 N ILE A 40 -2.387 -0.123 -4.997 1.00 0.00 N ATOM 632 CA ILE A 40 -1.355 0.842 -4.622 1.00 0.00 C ATOM 633 C ILE A 40 -1.806 1.153 -3.166 1.00 0.00 C ATOM 634 O ILE A 40 -2.585 2.052 -2.885 1.00 0.00 O ATOM 635 CB ILE A 40 -1.355 1.983 -5.684 1.00 0.00 C ATOM 636 CG1 ILE A 40 0.026 2.572 -5.929 1.00 0.00 C ATOM 637 CG2 ILE A 40 -2.106 3.239 -5.231 1.00 0.00 C ATOM 638 CD1 ILE A 40 0.068 3.053 -7.387 1.00 0.00 C ATOM 0 H ILE A 40 -3.303 -0.052 -4.554 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.303 0.555 -4.620 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.796 1.481 -6.545 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.217 3.400 -5.246 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.799 1.825 -5.749 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.065 3.991 -6.019 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.146 2.986 -5.024 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.642 3.634 -4.328 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.047 3.483 -7.600 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.111 2.209 -8.054 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.702 3.808 -7.543 1.00 0.00 H new ATOM 650 N ARG A 41 -1.332 0.262 -2.268 1.00 0.00 N ATOM 651 CA ARG A 41 -1.697 0.324 -0.858 1.00 0.00 C ATOM 652 C ARG A 41 -1.042 1.546 -0.201 1.00 0.00 C ATOM 653 O ARG A 41 0.044 1.937 -0.600 1.00 0.00 O ATOM 654 CB ARG A 41 -1.313 -1.030 -0.223 1.00 0.00 C ATOM 655 CG ARG A 41 0.169 -1.211 0.137 1.00 0.00 C ATOM 656 CD ARG A 41 0.487 -0.691 1.544 1.00 0.00 C ATOM 657 NE ARG A 41 1.824 -1.105 1.948 1.00 0.00 N ATOM 658 CZ ARG A 41 2.426 -0.599 3.043 1.00 0.00 C ATOM 659 NH1 ARG A 41 1.836 0.322 3.797 1.00 0.00 N ATOM 660 NH2 ARG A 41 3.633 -1.037 3.369 1.00 0.00 N ATOM 0 H ARG A 41 -0.699 -0.502 -2.505 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.768 0.466 -0.710 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.905 -1.165 0.682 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.598 -1.825 -0.912 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.431 -2.267 0.073 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.786 -0.685 -0.592 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.415 0.396 1.562 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.248 -1.070 2.254 1.00 0.00 H new ATOM 0 HE ARG A 41 2.319 -1.798 1.386 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.906 0.662 3.552 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.313 0.689 4.621 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.091 -1.745 2.795 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.105 -0.666 4.194 1.00 0.00 H new ATOM 674 N GLU A 42 -1.730 2.136 0.810 1.00 0.00 N ATOM 675 CA GLU A 42 -1.138 3.320 1.445 1.00 0.00 C ATOM 676 C GLU A 42 -0.378 2.946 2.721 1.00 0.00 C ATOM 677 O GLU A 42 -0.548 1.874 3.289 1.00 0.00 O ATOM 678 CB GLU A 42 -2.160 4.442 1.732 1.00 0.00 C ATOM 679 CG GLU A 42 -2.890 4.467 3.091 1.00 0.00 C ATOM 680 CD GLU A 42 -2.913 5.848 3.792 1.00 0.00 C ATOM 681 OE1 GLU A 42 -2.271 6.795 3.335 1.00 0.00 O ATOM 682 OE2 GLU A 42 -3.582 5.954 4.818 1.00 0.00 O ATOM 0 H GLU A 42 -2.632 1.832 1.177 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.433 3.722 0.718 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.641 5.394 1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.920 4.400 0.952 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.917 4.134 2.942 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.415 3.746 3.756 1.00 0.00 H new ATOM 689 N SER A 43 0.476 3.907 3.111 1.00 0.00 N ATOM 690 CA SER A 43 1.242 3.802 4.343 1.00 0.00 C ATOM 691 C SER A 43 0.444 4.659 5.336 1.00 0.00 C ATOM 692 O SER A 43 0.412 5.872 5.245 1.00 0.00 O ATOM 693 CB SER A 43 2.678 4.352 4.128 1.00 0.00 C ATOM 694 OG SER A 43 3.603 4.441 5.283 1.00 0.00 O ATOM 0 H SER A 43 0.646 4.763 2.583 1.00 0.00 H new ATOM 0 HA SER A 43 1.368 2.778 4.695 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.157 3.730 3.372 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.585 5.352 3.705 1.00 0.00 H new ATOM 0 HG SER A 43 3.752 5.382 5.511 1.00 0.00 H new ATOM 700 N GLU A 44 -0.217 3.966 6.272 1.00 0.00 N ATOM 701 CA GLU A 44 -1.092 4.607 7.249 1.00 0.00 C ATOM 702 C GLU A 44 -0.429 5.659 8.181 1.00 0.00 C ATOM 703 O GLU A 44 -1.115 6.315 8.956 1.00 0.00 O ATOM 704 CB GLU A 44 -1.832 3.494 8.002 1.00 0.00 C ATOM 705 CG GLU A 44 -0.953 2.326 8.499 1.00 0.00 C ATOM 706 CD GLU A 44 0.229 2.779 9.377 1.00 0.00 C ATOM 707 OE1 GLU A 44 0.012 3.085 10.548 1.00 0.00 O ATOM 708 OE2 GLU A 44 1.355 2.815 8.878 1.00 0.00 O ATOM 0 H GLU A 44 -0.158 2.952 6.369 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.795 5.237 6.704 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.338 3.935 8.861 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.606 3.090 7.349 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.572 1.631 9.067 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.568 1.779 7.638 1.00 0.00 H new ATOM 715 N SER A 45 0.903 5.812 8.064 1.00 0.00 N ATOM 716 CA SER A 45 1.668 6.752 8.877 1.00 0.00 C ATOM 717 C SER A 45 1.748 8.170 8.269 1.00 0.00 C ATOM 718 O SER A 45 2.010 9.139 8.969 1.00 0.00 O ATOM 719 CB SER A 45 3.118 6.208 8.884 1.00 0.00 C ATOM 720 OG SER A 45 3.780 5.984 7.570 1.00 0.00 O ATOM 0 H SER A 45 1.471 5.284 7.401 1.00 0.00 H new ATOM 0 HA SER A 45 1.189 6.832 9.853 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.734 6.902 9.456 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.118 5.262 9.425 1.00 0.00 H new ATOM 0 HG SER A 45 3.438 6.630 6.917 1.00 0.00 H new ATOM 726 N ASN A 46 1.526 8.233 6.944 1.00 0.00 N ATOM 727 CA ASN A 46 1.625 9.465 6.157 1.00 0.00 C ATOM 728 C ASN A 46 0.350 9.743 5.339 1.00 0.00 C ATOM 729 O ASN A 46 -0.515 8.892 5.180 1.00 0.00 O ATOM 730 CB ASN A 46 2.783 9.277 5.164 1.00 0.00 C ATOM 731 CG ASN A 46 2.760 7.862 4.616 1.00 0.00 C ATOM 732 OD1 ASN A 46 3.627 7.059 4.919 1.00 0.00 O ATOM 733 ND2 ASN A 46 1.723 7.616 3.812 1.00 0.00 N ATOM 0 H ASN A 46 1.270 7.417 6.387 1.00 0.00 H new ATOM 0 HA ASN A 46 1.777 10.301 6.840 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.696 9.995 4.348 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.735 9.471 5.659 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.609 6.692 3.395 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.045 8.352 3.615 1.00 0.00 H new ATOM 740 N LYS A 47 0.315 10.997 4.836 1.00 0.00 N ATOM 741 CA LYS A 47 -0.766 11.474 3.979 1.00 0.00 C ATOM 742 C LYS A 47 -0.433 11.489 2.473 1.00 0.00 C ATOM 743 O LYS A 47 -1.178 12.050 1.680 1.00 0.00 O ATOM 744 CB LYS A 47 -1.367 12.774 4.500 1.00 0.00 C ATOM 745 CG LYS A 47 -0.312 13.793 4.858 1.00 0.00 C ATOM 746 CD LYS A 47 0.542 14.216 3.660 1.00 0.00 C ATOM 747 CE LYS A 47 1.253 15.540 3.931 1.00 0.00 C ATOM 748 NZ LYS A 47 2.109 15.965 2.826 1.00 0.00 N ATOM 0 H LYS A 47 1.036 11.695 5.018 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.553 10.723 4.045 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.031 13.193 3.744 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.977 12.563 5.378 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.794 14.674 5.282 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.336 13.381 5.632 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.278 13.442 3.443 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.089 14.313 2.776 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.509 16.313 4.125 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.856 15.444 4.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.564 16.868 3.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.839 15.244 2.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.534 16.086 1.968 1.00 0.00 H new ATOM 762 N GLY A 48 0.711 10.869 2.114 1.00 0.00 N ATOM 763 CA GLY A 48 1.074 10.857 0.700 1.00 0.00 C ATOM 764 C GLY A 48 2.045 9.741 0.303 1.00 0.00 C ATOM 765 O GLY A 48 2.560 9.724 -0.807 1.00 0.00 O ATOM 0 H GLY A 48 1.358 10.399 2.747 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.166 10.759 0.106 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.521 11.818 0.444 1.00 0.00 H new ATOM 769 N ALA A 49 2.276 8.818 1.260 1.00 0.00 N ATOM 770 CA ALA A 49 3.169 7.677 0.980 1.00 0.00 C ATOM 771 C ALA A 49 2.306 6.424 0.723 1.00 0.00 C ATOM 772 O ALA A 49 1.380 6.119 1.462 1.00 0.00 O ATOM 773 CB ALA A 49 4.256 7.453 2.050 1.00 0.00 C ATOM 0 H ALA A 49 1.874 8.837 2.197 1.00 0.00 H new ATOM 0 HA ALA A 49 3.744 7.907 0.083 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.870 6.597 1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.883 8.341 2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.784 7.262 3.014 1.00 0.00 H new ATOM 779 N PHE A 50 2.664 5.748 -0.384 1.00 0.00 N ATOM 780 CA PHE A 50 1.969 4.561 -0.864 1.00 0.00 C ATOM 781 C PHE A 50 2.999 3.437 -1.146 1.00 0.00 C ATOM 782 O PHE A 50 4.174 3.551 -0.818 1.00 0.00 O ATOM 783 CB PHE A 50 1.158 5.004 -2.104 1.00 0.00 C ATOM 784 CG PHE A 50 -0.156 5.650 -1.753 1.00 0.00 C ATOM 785 CD1 PHE A 50 -0.220 6.995 -1.401 1.00 0.00 C ATOM 786 CD2 PHE A 50 -1.332 4.912 -1.794 1.00 0.00 C ATOM 787 CE1 PHE A 50 -1.436 7.594 -1.103 1.00 0.00 C ATOM 788 CE2 PHE A 50 -2.553 5.503 -1.500 1.00 0.00 C ATOM 789 CZ PHE A 50 -2.605 6.847 -1.151 1.00 0.00 C ATOM 0 H PHE A 50 3.453 6.021 -0.970 1.00 0.00 H new ATOM 0 HA PHE A 50 1.279 4.140 -0.132 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.755 5.704 -2.689 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.971 4.137 -2.737 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.687 7.579 -1.359 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.296 3.865 -2.058 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.473 8.639 -0.834 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.461 4.919 -1.542 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.553 7.309 -0.918 1.00 0.00 H new ATOM 799 N SER A 51 2.486 2.346 -1.766 1.00 0.00 N ATOM 800 CA SER A 51 3.290 1.176 -2.130 1.00 0.00 C ATOM 801 C SER A 51 2.566 0.386 -3.249 1.00 0.00 C ATOM 802 O SER A 51 1.566 -0.286 -3.027 1.00 0.00 O ATOM 803 CB SER A 51 3.561 0.282 -0.877 1.00 0.00 C ATOM 804 OG SER A 51 3.652 0.911 0.465 1.00 0.00 O ATOM 0 H SER A 51 1.503 2.262 -2.023 1.00 0.00 H new ATOM 0 HA SER A 51 4.259 1.502 -2.507 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.771 -0.467 -0.833 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.496 -0.251 -1.052 1.00 0.00 H new ATOM 0 HG SER A 51 4.125 0.309 1.077 1.00 0.00 H new ATOM 810 N LEU A 52 3.151 0.511 -4.453 1.00 0.00 N ATOM 811 CA LEU A 52 2.626 -0.111 -5.666 1.00 0.00 C ATOM 812 C LEU A 52 2.998 -1.590 -5.760 1.00 0.00 C ATOM 813 O LEU A 52 4.151 -1.991 -5.797 1.00 0.00 O ATOM 814 CB LEU A 52 3.198 0.729 -6.836 1.00 0.00 C ATOM 815 CG LEU A 52 3.030 0.200 -8.270 1.00 0.00 C ATOM 816 CD1 LEU A 52 1.579 0.301 -8.724 1.00 0.00 C ATOM 817 CD2 LEU A 52 3.919 0.996 -9.243 1.00 0.00 C ATOM 0 H LEU A 52 4.004 1.050 -4.605 1.00 0.00 H new ATOM 0 HA LEU A 52 1.536 -0.111 -5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.738 1.716 -6.791 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.264 0.865 -6.656 1.00 0.00 H new ATOM 0 HG LEU A 52 3.330 -0.848 -8.273 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.489 -0.080 -9.741 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.948 -0.288 -8.059 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.261 1.343 -8.697 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.789 0.610 -10.254 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.635 2.048 -9.217 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.963 0.895 -8.948 1.00 0.00 H new ATOM 829 N SER A 53 1.895 -2.358 -5.803 1.00 0.00 N ATOM 830 CA SER A 53 1.944 -3.796 -5.915 1.00 0.00 C ATOM 831 C SER A 53 1.683 -4.122 -7.380 1.00 0.00 C ATOM 832 O SER A 53 0.766 -3.593 -7.988 1.00 0.00 O ATOM 833 CB SER A 53 0.870 -4.400 -4.971 1.00 0.00 C ATOM 834 OG SER A 53 0.904 -4.029 -3.529 1.00 0.00 O ATOM 0 H SER A 53 0.948 -1.981 -5.760 1.00 0.00 H new ATOM 0 HA SER A 53 2.905 -4.217 -5.619 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.109 -4.123 -5.362 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.944 -5.486 -5.036 1.00 0.00 H new ATOM 0 HG SER A 53 0.548 -4.768 -2.993 1.00 0.00 H new ATOM 840 N VAL A 54 2.570 -4.993 -7.905 1.00 0.00 N ATOM 841 CA VAL A 54 2.481 -5.439 -9.301 1.00 0.00 C ATOM 842 C VAL A 54 2.879 -6.916 -9.294 1.00 0.00 C ATOM 843 O VAL A 54 3.713 -7.296 -8.490 1.00 0.00 O ATOM 844 CB VAL A 54 3.434 -4.637 -10.210 1.00 0.00 C ATOM 845 CG1 VAL A 54 3.288 -5.036 -11.684 1.00 0.00 C ATOM 846 CG2 VAL A 54 3.217 -3.127 -10.082 1.00 0.00 C ATOM 0 H VAL A 54 3.349 -5.396 -7.383 1.00 0.00 H new ATOM 0 HA VAL A 54 1.475 -5.287 -9.693 1.00 0.00 H new ATOM 0 HB VAL A 54 4.441 -4.880 -9.871 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.977 -4.448 -12.290 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.518 -6.095 -11.799 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.265 -4.849 -12.012 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.910 -2.603 -10.740 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.193 -2.881 -10.363 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.393 -2.820 -9.051 1.00 0.00 H new ATOM 856 N LYS A 55 2.283 -7.734 -10.194 1.00 0.00 N ATOM 857 CA LYS A 55 2.647 -9.160 -10.137 1.00 0.00 C ATOM 858 C LYS A 55 4.004 -9.487 -10.820 1.00 0.00 C ATOM 859 O LYS A 55 4.058 -9.559 -12.041 1.00 0.00 O ATOM 860 CB LYS A 55 1.503 -9.941 -10.787 1.00 0.00 C ATOM 861 CG LYS A 55 1.685 -11.466 -10.822 1.00 0.00 C ATOM 862 CD LYS A 55 0.531 -12.217 -10.152 1.00 0.00 C ATOM 863 CE LYS A 55 -0.588 -12.531 -11.148 1.00 0.00 C ATOM 864 NZ LYS A 55 -1.590 -13.444 -10.619 1.00 0.00 N ATOM 0 H LYS A 55 1.607 -7.461 -10.907 1.00 0.00 H new ATOM 0 HA LYS A 55 2.787 -9.446 -9.094 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.581 -9.714 -10.252 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.376 -9.583 -11.809 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.772 -11.793 -11.858 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.619 -11.727 -10.325 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.903 -13.145 -9.717 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.133 -11.618 -9.333 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.074 -11.601 -11.443 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.152 -12.963 -12.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.995 -14.003 -11.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.147 -14.082 -9.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.345 -12.900 -10.154 1.00 0.00 H new ATOM 878 N ASP A 56 5.097 -9.703 -10.027 1.00 0.00 N ATOM 879 CA ASP A 56 6.335 -10.052 -10.747 1.00 0.00 C ATOM 880 C ASP A 56 6.357 -11.567 -11.033 1.00 0.00 C ATOM 881 O ASP A 56 6.517 -12.399 -10.153 1.00 0.00 O ATOM 882 CB ASP A 56 7.599 -9.522 -10.058 1.00 0.00 C ATOM 883 CG ASP A 56 8.903 -10.006 -10.720 1.00 0.00 C ATOM 884 OD1 ASP A 56 9.358 -9.373 -11.672 1.00 0.00 O ATOM 885 OD2 ASP A 56 9.448 -11.010 -10.269 1.00 0.00 O ATOM 0 H ASP A 56 5.143 -9.649 -9.009 1.00 0.00 H new ATOM 0 HA ASP A 56 6.337 -9.540 -11.709 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.579 -8.432 -10.066 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.593 -9.834 -9.013 1.00 0.00 H new ATOM 890 N ILE A 57 6.167 -11.861 -12.333 1.00 0.00 N ATOM 891 CA ILE A 57 6.169 -13.244 -12.802 1.00 0.00 C ATOM 892 C ILE A 57 7.575 -13.598 -13.315 1.00 0.00 C ATOM 893 O ILE A 57 7.906 -13.489 -14.489 1.00 0.00 O ATOM 894 CB ILE A 57 5.056 -13.452 -13.839 1.00 0.00 C ATOM 895 CG1 ILE A 57 3.696 -13.069 -13.220 1.00 0.00 C ATOM 896 CG2 ILE A 57 5.041 -14.905 -14.350 1.00 0.00 C ATOM 897 CD1 ILE A 57 2.497 -13.398 -14.105 1.00 0.00 C ATOM 0 H ILE A 57 6.013 -11.165 -13.062 1.00 0.00 H new ATOM 0 HA ILE A 57 5.946 -13.933 -11.987 1.00 0.00 H new ATOM 0 HB ILE A 57 5.248 -12.808 -14.697 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.584 -13.586 -12.267 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.694 -12.000 -13.005 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.243 -15.025 -15.083 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.999 -15.137 -14.815 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.870 -15.583 -13.514 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.579 -13.099 -13.600 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.583 -12.860 -15.049 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.471 -14.470 -14.299 1.00 0.00 H new ATOM 909 N THR A 58 8.354 -14.020 -12.305 1.00 0.00 N ATOM 910 CA THR A 58 9.743 -14.436 -12.451 1.00 0.00 C ATOM 911 C THR A 58 9.801 -15.945 -12.709 1.00 0.00 C ATOM 912 O THR A 58 8.813 -16.650 -12.548 1.00 0.00 O ATOM 913 CB THR A 58 10.538 -14.109 -11.148 1.00 0.00 C ATOM 914 OG1 THR A 58 11.917 -14.590 -11.069 1.00 0.00 O ATOM 915 CG2 THR A 58 9.704 -14.389 -9.856 1.00 0.00 C ATOM 0 H THR A 58 8.019 -14.080 -11.344 1.00 0.00 H new ATOM 0 HA THR A 58 10.187 -13.900 -13.290 1.00 0.00 H new ATOM 0 HB THR A 58 10.688 -13.032 -11.217 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.308 -14.323 -10.211 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.301 -14.146 -8.977 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.804 -13.775 -9.864 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.425 -15.442 -9.824 1.00 0.00 H new ATOM 923 N THR A 59 11.014 -16.411 -13.101 1.00 0.00 N ATOM 924 CA THR A 59 11.158 -17.847 -13.359 1.00 0.00 C ATOM 925 C THR A 59 11.107 -18.675 -12.056 1.00 0.00 C ATOM 926 O THR A 59 10.989 -19.892 -12.119 1.00 0.00 O ATOM 927 CB THR A 59 12.401 -18.243 -14.222 1.00 0.00 C ATOM 928 OG1 THR A 59 12.606 -19.678 -14.461 1.00 0.00 O ATOM 929 CG2 THR A 59 13.705 -17.514 -13.785 1.00 0.00 C ATOM 0 H THR A 59 11.853 -15.846 -13.236 1.00 0.00 H new ATOM 0 HA THR A 59 10.291 -18.096 -13.971 1.00 0.00 H new ATOM 0 HB THR A 59 12.132 -17.867 -15.209 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.078 -20.195 -13.818 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.530 -17.832 -14.422 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.568 -16.437 -13.878 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.931 -17.763 -12.748 1.00 0.00 H new ATOM 937 N GLN A 60 11.190 -17.982 -10.888 1.00 0.00 N ATOM 938 CA GLN A 60 11.115 -18.715 -9.618 1.00 0.00 C ATOM 939 C GLN A 60 9.640 -18.978 -9.209 1.00 0.00 C ATOM 940 O GLN A 60 9.367 -19.830 -8.373 1.00 0.00 O ATOM 941 CB GLN A 60 11.871 -18.010 -8.479 1.00 0.00 C ATOM 942 CG GLN A 60 13.404 -18.126 -8.602 1.00 0.00 C ATOM 943 CD GLN A 60 14.120 -17.439 -7.426 1.00 0.00 C ATOM 944 OE1 GLN A 60 14.702 -18.079 -6.562 1.00 0.00 O ATOM 945 NE2 GLN A 60 14.043 -16.098 -7.454 1.00 0.00 N ATOM 0 H GLN A 60 11.303 -16.971 -10.809 1.00 0.00 H new ATOM 0 HA GLN A 60 11.609 -19.672 -9.787 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.593 -16.956 -8.465 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.557 -18.435 -7.526 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.688 -19.178 -8.638 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.729 -17.676 -9.540 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.539 -15.632 -8.208 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.489 -15.546 -6.721 1.00 0.00 H new ATOM 954 N GLY A 61 8.721 -18.207 -9.839 1.00 0.00 N ATOM 955 CA GLY A 61 7.294 -18.346 -9.568 1.00 0.00 C ATOM 956 C GLY A 61 6.549 -17.017 -9.740 1.00 0.00 C ATOM 957 O GLY A 61 7.128 -15.988 -10.062 1.00 0.00 O ATOM 0 H GLY A 61 8.952 -17.493 -10.530 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.868 -19.091 -10.240 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.151 -18.714 -8.552 1.00 0.00 H new ATOM 961 N GLU A 62 5.225 -17.110 -9.500 1.00 0.00 N ATOM 962 CA GLU A 62 4.360 -15.950 -9.600 1.00 0.00 C ATOM 963 C GLU A 62 4.384 -15.195 -8.253 1.00 0.00 C ATOM 964 O GLU A 62 3.938 -15.719 -7.239 1.00 0.00 O ATOM 965 CB GLU A 62 2.942 -16.466 -9.901 1.00 0.00 C ATOM 966 CG GLU A 62 2.161 -15.449 -10.724 1.00 0.00 C ATOM 967 CD GLU A 62 0.640 -15.686 -10.710 1.00 0.00 C ATOM 968 OE1 GLU A 62 0.065 -15.780 -9.626 1.00 0.00 O ATOM 969 OE2 GLU A 62 0.036 -15.748 -11.778 1.00 0.00 O ATOM 0 H GLU A 62 4.749 -17.974 -9.239 1.00 0.00 H new ATOM 0 HA GLU A 62 4.686 -15.269 -10.386 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.001 -17.411 -10.442 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.417 -16.666 -8.967 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.368 -14.449 -10.343 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.516 -15.478 -11.754 1.00 0.00 H new ATOM 976 N VAL A 63 4.929 -13.959 -8.293 1.00 0.00 N ATOM 977 CA VAL A 63 5.017 -13.144 -7.083 1.00 0.00 C ATOM 978 C VAL A 63 4.275 -11.818 -7.336 1.00 0.00 C ATOM 979 O VAL A 63 3.541 -11.658 -8.300 1.00 0.00 O ATOM 980 CB VAL A 63 6.494 -12.939 -6.650 1.00 0.00 C ATOM 981 CG1 VAL A 63 7.281 -14.257 -6.637 1.00 0.00 C ATOM 982 CG2 VAL A 63 7.269 -11.873 -7.454 1.00 0.00 C ATOM 0 H VAL A 63 5.304 -13.520 -9.134 1.00 0.00 H new ATOM 0 HA VAL A 63 4.537 -13.654 -6.247 1.00 0.00 H new ATOM 0 HB VAL A 63 6.413 -12.554 -5.634 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.308 -14.064 -6.328 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.816 -14.952 -5.937 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.278 -14.692 -7.636 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.289 -11.804 -7.077 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.289 -12.155 -8.507 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.776 -10.907 -7.347 1.00 0.00 H new ATOM 992 N VAL A 64 4.527 -10.897 -6.390 1.00 0.00 N ATOM 993 CA VAL A 64 4.016 -9.535 -6.400 1.00 0.00 C ATOM 994 C VAL A 64 5.275 -8.645 -6.308 1.00 0.00 C ATOM 995 O VAL A 64 6.379 -9.150 -6.446 1.00 0.00 O ATOM 996 CB VAL A 64 2.825 -9.412 -5.419 1.00 0.00 C ATOM 997 CG1 VAL A 64 2.507 -8.005 -4.926 1.00 0.00 C ATOM 998 CG2 VAL A 64 1.547 -9.865 -6.127 1.00 0.00 C ATOM 0 H VAL A 64 5.110 -11.096 -5.577 1.00 0.00 H new ATOM 0 HA VAL A 64 3.508 -9.176 -7.295 1.00 0.00 H new ATOM 0 HB VAL A 64 3.129 -10.017 -4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.656 -8.041 -4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.372 -7.599 -4.403 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.265 -7.368 -5.776 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.703 -9.781 -5.443 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.371 -9.235 -6.999 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.655 -10.902 -6.445 1.00 0.00 H new ATOM 1008 N LYS A 65 5.081 -7.329 -6.158 1.00 0.00 N ATOM 1009 CA LYS A 65 6.162 -6.348 -6.051 1.00 0.00 C ATOM 1010 C LYS A 65 5.692 -5.233 -5.123 1.00 0.00 C ATOM 1011 O LYS A 65 4.537 -5.216 -4.730 1.00 0.00 O ATOM 1012 CB LYS A 65 6.507 -5.770 -7.437 1.00 0.00 C ATOM 1013 CG LYS A 65 7.170 -6.809 -8.337 1.00 0.00 C ATOM 1014 CD LYS A 65 8.603 -7.167 -7.902 1.00 0.00 C ATOM 1015 CE LYS A 65 9.663 -6.793 -8.943 1.00 0.00 C ATOM 1016 NZ LYS A 65 9.859 -5.354 -9.032 1.00 0.00 N ATOM 0 H LYS A 65 4.152 -6.911 -6.107 1.00 0.00 H new ATOM 0 HA LYS A 65 7.059 -6.823 -5.654 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.598 -5.403 -7.914 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.172 -4.915 -7.319 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.563 -7.714 -8.343 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.192 -6.433 -9.360 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.829 -6.658 -6.965 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.659 -8.238 -7.705 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.608 -7.272 -8.686 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.365 -7.179 -9.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.653 -5.151 -9.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.995 -4.908 -9.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.069 -4.973 -8.087 1.00 0.00 H new ATOM 1030 N HIS A 66 6.641 -4.334 -4.788 1.00 0.00 N ATOM 1031 CA HIS A 66 6.370 -3.195 -3.914 1.00 0.00 C ATOM 1032 C HIS A 66 7.332 -2.045 -4.291 1.00 0.00 C ATOM 1033 O HIS A 66 8.544 -2.211 -4.225 1.00 0.00 O ATOM 1034 CB HIS A 66 6.619 -3.599 -2.449 1.00 0.00 C ATOM 1035 CG HIS A 66 5.470 -4.429 -1.921 1.00 0.00 C ATOM 1036 ND1 HIS A 66 5.412 -5.778 -1.979 1.00 0.00 N ATOM 1037 CD2 HIS A 66 4.291 -3.962 -1.315 1.00 0.00 C ATOM 1038 CE1 HIS A 66 4.233 -6.118 -1.430 1.00 0.00 C ATOM 1039 NE2 HIS A 66 3.537 -5.043 -1.018 1.00 0.00 N ATOM 0 H HIS A 66 7.605 -4.384 -5.117 1.00 0.00 H new ATOM 0 HA HIS A 66 5.334 -2.877 -4.031 1.00 0.00 H new ATOM 0 HB2 HIS A 66 7.547 -4.165 -2.375 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.741 -2.706 -1.836 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.035 -2.931 -1.122 1.00 0.00 H new ATOM 0 HE1 HIS A 66 3.885 -7.136 -1.331 1.00 0.00 H new ATOM 0 HE2 HIS A 66 2.621 -5.044 -0.570 1.00 0.00 H new ATOM 1047 N TYR A 67 6.746 -0.895 -4.698 1.00 0.00 N ATOM 1048 CA TYR A 67 7.543 0.280 -5.071 1.00 0.00 C ATOM 1049 C TYR A 67 7.082 1.422 -4.164 1.00 0.00 C ATOM 1050 O TYR A 67 5.908 1.762 -4.119 1.00 0.00 O ATOM 1051 CB TYR A 67 7.369 0.662 -6.547 1.00 0.00 C ATOM 1052 CG TYR A 67 7.482 -0.507 -7.473 1.00 0.00 C ATOM 1053 CD1 TYR A 67 6.342 -1.225 -7.761 1.00 0.00 C ATOM 1054 CD2 TYR A 67 8.688 -0.891 -8.036 1.00 0.00 C ATOM 1055 CE1 TYR A 67 6.380 -2.347 -8.562 1.00 0.00 C ATOM 1056 CE2 TYR A 67 8.749 -2.006 -8.865 1.00 0.00 C ATOM 1057 CZ TYR A 67 7.589 -2.745 -9.137 1.00 0.00 C ATOM 1058 OH TYR A 67 7.645 -3.872 -9.946 1.00 0.00 O ATOM 0 H TYR A 67 5.737 -0.763 -4.773 1.00 0.00 H new ATOM 0 HA TYR A 67 8.604 0.064 -4.944 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.395 1.132 -6.682 1.00 0.00 H new ATOM 0 HB3 TYR A 67 8.121 1.404 -6.815 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.397 -0.902 -7.350 1.00 0.00 H new ATOM 0 HD2 TYR A 67 9.583 -0.323 -7.831 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.480 -2.915 -8.744 1.00 0.00 H new ATOM 0 HE2 TYR A 67 9.692 -2.303 -9.300 1.00 0.00 H new ATOM 0 HH TYR A 67 7.712 -3.598 -10.885 1.00 0.00 H new ATOM 1068 N LYS A 68 8.081 1.987 -3.466 1.00 0.00 N ATOM 1069 CA LYS A 68 7.846 3.051 -2.498 1.00 0.00 C ATOM 1070 C LYS A 68 7.549 4.433 -3.111 1.00 0.00 C ATOM 1071 O LYS A 68 8.412 5.272 -3.326 1.00 0.00 O ATOM 1072 CB LYS A 68 8.959 3.097 -1.437 1.00 0.00 C ATOM 1073 CG LYS A 68 10.362 2.897 -1.983 1.00 0.00 C ATOM 1074 CD LYS A 68 10.829 4.062 -2.849 1.00 0.00 C ATOM 1075 CE LYS A 68 12.335 4.092 -3.061 1.00 0.00 C ATOM 1076 NZ LYS A 68 12.756 3.216 -4.151 1.00 0.00 N ATOM 0 H LYS A 68 9.060 1.717 -3.561 1.00 0.00 H new ATOM 0 HA LYS A 68 6.915 2.786 -1.997 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.916 4.059 -0.926 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.762 2.329 -0.689 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.055 2.767 -1.152 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.391 1.979 -2.570 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.334 4.005 -3.819 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.516 4.998 -2.386 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.650 5.113 -3.276 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.836 3.791 -2.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.795 3.203 -4.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.406 2.252 -3.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.368 3.568 -5.049 1.00 0.00 H new ATOM 1090 N ILE A 69 6.242 4.620 -3.366 1.00 0.00 N ATOM 1091 CA ILE A 69 5.782 5.925 -3.846 1.00 0.00 C ATOM 1092 C ILE A 69 5.779 6.929 -2.672 1.00 0.00 C ATOM 1093 O ILE A 69 4.931 6.865 -1.794 1.00 0.00 O ATOM 1094 CB ILE A 69 4.464 5.970 -4.672 1.00 0.00 C ATOM 1095 CG1 ILE A 69 3.421 4.891 -4.375 1.00 0.00 C ATOM 1096 CG2 ILE A 69 4.534 6.384 -6.136 1.00 0.00 C ATOM 1097 CD1 ILE A 69 3.374 3.715 -5.353 1.00 0.00 C ATOM 0 H ILE A 69 5.515 3.913 -3.252 1.00 0.00 H new ATOM 0 HA ILE A 69 6.510 6.214 -4.604 1.00 0.00 H new ATOM 0 HB ILE A 69 4.053 6.869 -4.213 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.608 4.499 -3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.437 5.360 -4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.533 6.364 -6.568 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.941 7.392 -6.210 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.177 5.692 -6.679 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.599 3.015 -5.043 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.151 4.083 -6.354 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.339 3.208 -5.359 1.00 0.00 H new ATOM 1109 N ARG A 70 6.775 7.840 -2.696 1.00 0.00 N ATOM 1110 CA ARG A 70 6.836 8.876 -1.668 1.00 0.00 C ATOM 1111 C ARG A 70 5.974 10.028 -2.179 1.00 0.00 C ATOM 1112 O ARG A 70 5.432 9.973 -3.272 1.00 0.00 O ATOM 1113 CB ARG A 70 8.281 9.361 -1.448 1.00 0.00 C ATOM 1114 CG ARG A 70 9.052 8.528 -0.426 1.00 0.00 C ATOM 1115 CD ARG A 70 9.546 7.236 -1.053 1.00 0.00 C ATOM 1116 NE ARG A 70 10.097 6.326 -0.060 1.00 0.00 N ATOM 1117 CZ ARG A 70 11.273 6.517 0.566 1.00 0.00 C ATOM 1118 NH1 ARG A 70 12.043 7.558 0.284 1.00 0.00 N ATOM 1119 NH2 ARG A 70 11.665 5.648 1.486 1.00 0.00 N ATOM 0 H ARG A 70 7.519 7.873 -3.393 1.00 0.00 H new ATOM 0 HA ARG A 70 6.482 8.491 -0.712 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.813 9.338 -2.399 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.261 10.400 -1.118 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.898 9.101 -0.046 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.411 8.303 0.426 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.723 6.748 -1.575 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.307 7.463 -1.799 1.00 0.00 H new ATOM 0 HE ARG A 70 9.559 5.492 0.176 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.748 8.235 -0.420 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.930 7.683 0.771 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.078 4.845 1.713 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.554 5.781 1.968 1.00 0.00 H new ATOM 1133 N SER A 71 5.895 11.062 -1.329 1.00 0.00 N ATOM 1134 CA SER A 71 5.137 12.251 -1.650 1.00 0.00 C ATOM 1135 C SER A 71 6.055 13.467 -1.504 1.00 0.00 C ATOM 1136 O SER A 71 6.567 13.769 -0.432 1.00 0.00 O ATOM 1137 CB SER A 71 3.959 12.325 -0.651 1.00 0.00 C ATOM 1138 OG SER A 71 4.150 11.747 0.707 1.00 0.00 O ATOM 0 H SER A 71 6.351 11.086 -0.417 1.00 0.00 H new ATOM 0 HA SER A 71 4.754 12.230 -2.670 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.690 13.374 -0.531 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.104 11.827 -1.107 1.00 0.00 H new ATOM 0 HG SER A 71 3.488 12.128 1.321 1.00 0.00 H new ATOM 1144 N LEU A 72 6.208 14.140 -2.663 1.00 0.00 N ATOM 1145 CA LEU A 72 7.045 15.317 -2.802 1.00 0.00 C ATOM 1146 C LEU A 72 6.166 16.548 -2.906 1.00 0.00 C ATOM 1147 O LEU A 72 5.172 16.591 -3.622 1.00 0.00 O ATOM 1148 CB LEU A 72 7.973 15.165 -4.019 1.00 0.00 C ATOM 1149 CG LEU A 72 8.471 13.733 -4.203 1.00 0.00 C ATOM 1150 CD1 LEU A 72 8.999 13.123 -2.890 1.00 0.00 C ATOM 1151 CD2 LEU A 72 7.433 12.887 -4.967 1.00 0.00 C ATOM 0 H LEU A 72 5.743 13.867 -3.529 1.00 0.00 H new ATOM 0 HA LEU A 72 7.681 15.430 -1.924 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.442 15.479 -4.918 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.828 15.831 -3.905 1.00 0.00 H new ATOM 0 HG LEU A 72 9.353 13.742 -4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.341 12.105 -3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.829 13.723 -2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.200 13.109 -2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.809 11.871 -5.087 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.498 12.865 -4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.257 13.327 -5.949 1.00 0.00 H new ATOM 1163 N ASP A 73 6.630 17.534 -2.127 1.00 0.00 N ATOM 1164 CA ASP A 73 5.965 18.827 -2.036 1.00 0.00 C ATOM 1165 C ASP A 73 5.842 19.551 -3.385 1.00 0.00 C ATOM 1166 O ASP A 73 4.951 20.372 -3.570 1.00 0.00 O ATOM 1167 CB ASP A 73 6.729 19.747 -1.073 1.00 0.00 C ATOM 1168 CG ASP A 73 8.244 19.792 -1.362 1.00 0.00 C ATOM 1169 OD1 ASP A 73 8.966 18.931 -0.860 1.00 0.00 O ATOM 1170 OD2 ASP A 73 8.679 20.685 -2.089 1.00 0.00 O ATOM 0 H ASP A 73 7.468 17.453 -1.551 1.00 0.00 H new ATOM 0 HA ASP A 73 4.958 18.616 -1.675 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.321 20.755 -1.141 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.569 19.407 -0.050 1.00 0.00 H new ATOM 1175 N ASN A 74 6.772 19.202 -4.301 1.00 0.00 N ATOM 1176 CA ASN A 74 6.773 19.860 -5.600 1.00 0.00 C ATOM 1177 C ASN A 74 7.017 18.908 -6.783 1.00 0.00 C ATOM 1178 O ASN A 74 7.623 19.278 -7.781 1.00 0.00 O ATOM 1179 CB ASN A 74 7.747 21.045 -5.566 1.00 0.00 C ATOM 1180 CG ASN A 74 9.244 20.758 -5.306 1.00 0.00 C ATOM 1181 OD1 ASN A 74 10.045 21.679 -5.235 1.00 0.00 O ATOM 1182 ND2 ASN A 74 9.600 19.470 -5.172 1.00 0.00 N ATOM 0 H ASN A 74 7.497 18.498 -4.164 1.00 0.00 H new ATOM 0 HA ASN A 74 5.768 20.239 -5.784 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.670 21.566 -6.520 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.403 21.736 -4.797 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.576 19.226 -5.003 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.895 18.736 -5.239 1.00 0.00 H new ATOM 1189 N GLY A 75 6.499 17.674 -6.618 1.00 0.00 N ATOM 1190 CA GLY A 75 6.673 16.712 -7.717 1.00 0.00 C ATOM 1191 C GLY A 75 5.627 15.601 -7.844 1.00 0.00 C ATOM 1192 O GLY A 75 5.539 14.928 -8.862 1.00 0.00 O ATOM 0 H GLY A 75 5.993 17.339 -5.798 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.691 17.269 -8.654 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.651 16.244 -7.605 1.00 0.00 H new ATOM 1196 N GLY A 76 4.840 15.475 -6.773 1.00 0.00 N ATOM 1197 CA GLY A 76 3.788 14.476 -6.682 1.00 0.00 C ATOM 1198 C GLY A 76 4.209 13.228 -5.920 1.00 0.00 C ATOM 1199 O GLY A 76 4.170 13.184 -4.700 1.00 0.00 O ATOM 0 H GLY A 76 4.919 16.067 -5.946 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.919 14.916 -6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.478 14.192 -7.688 1.00 0.00 H new ATOM 1203 N TYR A 77 4.600 12.220 -6.736 1.00 0.00 N ATOM 1204 CA TYR A 77 5.027 10.928 -6.218 1.00 0.00 C ATOM 1205 C TYR A 77 6.145 10.385 -7.099 1.00 0.00 C ATOM 1206 O TYR A 77 6.133 10.514 -8.316 1.00 0.00 O ATOM 1207 CB TYR A 77 3.943 9.834 -6.248 1.00 0.00 C ATOM 1208 CG TYR A 77 2.672 10.137 -5.515 1.00 0.00 C ATOM 1209 CD1 TYR A 77 1.685 10.897 -6.117 1.00 0.00 C ATOM 1210 CD2 TYR A 77 2.433 9.591 -4.264 1.00 0.00 C ATOM 1211 CE1 TYR A 77 0.449 11.086 -5.510 1.00 0.00 C ATOM 1212 CE2 TYR A 77 1.209 9.772 -3.635 1.00 0.00 C ATOM 1213 CZ TYR A 77 0.202 10.526 -4.252 1.00 0.00 C ATOM 1214 OH TYR A 77 -1.036 10.691 -3.643 1.00 0.00 O ATOM 0 H TYR A 77 4.623 12.291 -7.753 1.00 0.00 H new ATOM 0 HA TYR A 77 5.312 11.122 -5.184 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.696 9.626 -7.289 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.368 8.920 -5.832 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.879 11.352 -7.077 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.207 9.019 -3.774 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.317 11.662 -6.007 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.032 9.330 -2.666 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.037 10.237 -2.775 1.00 0.00 H new ATOM 1224 N TYR A 78 7.087 9.743 -6.378 1.00 0.00 N ATOM 1225 CA TYR A 78 8.230 9.106 -7.042 1.00 0.00 C ATOM 1226 C TYR A 78 8.442 7.704 -6.462 1.00 0.00 C ATOM 1227 O TYR A 78 8.277 7.505 -5.268 1.00 0.00 O ATOM 1228 CB TYR A 78 9.531 9.936 -6.889 1.00 0.00 C ATOM 1229 CG TYR A 78 10.351 9.676 -5.650 1.00 0.00 C ATOM 1230 CD1 TYR A 78 11.138 8.539 -5.536 1.00 0.00 C ATOM 1231 CD2 TYR A 78 10.326 10.571 -4.596 1.00 0.00 C ATOM 1232 CE1 TYR A 78 11.861 8.262 -4.392 1.00 0.00 C ATOM 1233 CE2 TYR A 78 11.054 10.328 -3.444 1.00 0.00 C ATOM 1234 CZ TYR A 78 11.825 9.163 -3.323 1.00 0.00 C ATOM 1235 OH TYR A 78 12.515 8.892 -2.149 1.00 0.00 O ATOM 0 H TYR A 78 7.077 9.655 -5.362 1.00 0.00 H new ATOM 0 HA TYR A 78 8.003 9.044 -8.106 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.159 9.750 -7.760 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.266 10.993 -6.908 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.187 7.850 -6.366 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.732 11.470 -4.673 1.00 0.00 H new ATOM 0 HE1 TYR A 78 12.448 7.358 -4.324 1.00 0.00 H new ATOM 0 HE2 TYR A 78 11.028 11.041 -2.633 1.00 0.00 H new ATOM 0 HH TYR A 78 12.561 9.704 -1.602 1.00 0.00 H new ATOM 1245 N ILE A 79 8.827 6.763 -7.355 1.00 0.00 N ATOM 1246 CA ILE A 79 9.158 5.396 -6.866 1.00 0.00 C ATOM 1247 C ILE A 79 10.672 5.237 -7.004 1.00 0.00 C ATOM 1248 O ILE A 79 11.368 4.765 -6.112 1.00 0.00 O ATOM 1249 CB ILE A 79 8.371 4.194 -7.422 1.00 0.00 C ATOM 1250 CG1 ILE A 79 8.190 4.256 -8.929 1.00 0.00 C ATOM 1251 CG2 ILE A 79 7.056 3.953 -6.689 1.00 0.00 C ATOM 1252 CD1 ILE A 79 7.003 3.405 -9.421 1.00 0.00 C ATOM 0 H ILE A 79 8.915 6.906 -8.361 1.00 0.00 H new ATOM 0 HA ILE A 79 8.817 5.351 -5.832 1.00 0.00 H new ATOM 0 HB ILE A 79 8.992 3.320 -7.224 1.00 0.00 H new ATOM 0 HG12 ILE A 79 8.038 5.292 -9.230 1.00 0.00 H new ATOM 0 HG13 ILE A 79 9.104 3.913 -9.415 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.548 3.094 -7.126 1.00 0.00 H new ATOM 0 HG22 ILE A 79 7.257 3.758 -5.636 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.422 4.835 -6.780 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.921 3.487 -10.505 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.165 2.362 -9.147 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.083 3.763 -8.960 1.00 0.00 H new ATOM 1264 N SER A 80 11.107 5.707 -8.188 1.00 0.00 N ATOM 1265 CA SER A 80 12.504 5.766 -8.562 1.00 0.00 C ATOM 1266 C SER A 80 12.776 7.268 -8.416 1.00 0.00 C ATOM 1267 O SER A 80 12.052 8.057 -9.004 1.00 0.00 O ATOM 1268 CB SER A 80 12.622 5.313 -10.056 1.00 0.00 C ATOM 1269 OG SER A 80 13.907 5.394 -10.789 1.00 0.00 O ATOM 0 H SER A 80 10.478 6.057 -8.910 1.00 0.00 H new ATOM 0 HA SER A 80 13.188 5.143 -7.986 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.298 4.273 -10.099 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.896 5.897 -10.623 1.00 0.00 H new ATOM 0 HG SER A 80 13.783 5.066 -11.704 1.00 0.00 H new ATOM 1275 N PRO A 81 13.800 7.689 -7.618 1.00 0.00 N ATOM 1276 CA PRO A 81 14.016 9.121 -7.404 1.00 0.00 C ATOM 1277 C PRO A 81 14.395 9.957 -8.635 1.00 0.00 C ATOM 1278 O PRO A 81 14.321 11.178 -8.601 1.00 0.00 O ATOM 1279 CB PRO A 81 15.071 9.190 -6.293 1.00 0.00 C ATOM 1280 CG PRO A 81 15.214 7.768 -5.755 1.00 0.00 C ATOM 1281 CD PRO A 81 14.723 6.853 -6.857 1.00 0.00 C ATOM 0 HA PRO A 81 13.069 9.589 -7.135 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.021 9.557 -6.680 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.762 9.876 -5.504 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.251 7.550 -5.500 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.627 7.634 -4.846 1.00 0.00 H new ATOM 0 HD2 PRO A 81 15.545 6.497 -7.478 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.224 5.972 -6.453 1.00 0.00 H new ATOM 1289 N ARG A 82 14.760 9.248 -9.726 1.00 0.00 N ATOM 1290 CA ARG A 82 15.108 9.958 -10.963 1.00 0.00 C ATOM 1291 C ARG A 82 13.829 10.351 -11.749 1.00 0.00 C ATOM 1292 O ARG A 82 13.889 11.095 -12.718 1.00 0.00 O ATOM 1293 CB ARG A 82 16.078 9.123 -11.838 1.00 0.00 C ATOM 1294 CG ARG A 82 15.446 8.165 -12.876 1.00 0.00 C ATOM 1295 CD ARG A 82 15.504 8.697 -14.317 1.00 0.00 C ATOM 1296 NE ARG A 82 16.691 8.191 -14.999 1.00 0.00 N ATOM 1297 CZ ARG A 82 16.735 6.965 -15.571 1.00 0.00 C ATOM 1298 NH1 ARG A 82 15.681 6.152 -15.570 1.00 0.00 N ATOM 1299 NH2 ARG A 82 17.857 6.562 -16.148 1.00 0.00 N ATOM 0 H ARG A 82 14.818 8.231 -9.772 1.00 0.00 H new ATOM 0 HA ARG A 82 15.628 10.876 -10.690 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.733 9.813 -12.370 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.709 8.533 -11.174 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.959 7.204 -12.831 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.406 7.984 -12.606 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.608 8.394 -14.859 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.518 9.787 -14.309 1.00 0.00 H new ATOM 0 HE ARG A 82 17.519 8.784 -15.046 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.810 6.447 -15.130 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.745 5.234 -16.009 1.00 0.00 H new ATOM 0 HH21 ARG A 82 18.674 7.173 -16.157 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.904 5.641 -16.583 1.00 0.00 H new ATOM 1313 N ILE A 83 12.679 9.812 -11.268 1.00 0.00 N ATOM 1314 CA ILE A 83 11.382 10.013 -11.904 1.00 0.00 C ATOM 1315 C ILE A 83 10.222 10.121 -10.899 1.00 0.00 C ATOM 1316 O ILE A 83 9.947 9.277 -10.042 1.00 0.00 O ATOM 1317 CB ILE A 83 11.090 8.923 -12.927 1.00 0.00 C ATOM 1318 CG1 ILE A 83 11.446 7.543 -12.369 1.00 0.00 C ATOM 1319 CG2 ILE A 83 11.837 9.232 -14.219 1.00 0.00 C ATOM 1320 CD1 ILE A 83 11.816 6.565 -13.467 1.00 0.00 C ATOM 0 H ILE A 83 12.641 9.230 -10.431 1.00 0.00 H new ATOM 0 HA ILE A 83 11.451 10.973 -12.416 1.00 0.00 H new ATOM 0 HB ILE A 83 10.023 8.903 -13.147 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.279 7.638 -11.672 1.00 0.00 H new ATOM 0 HG13 ILE A 83 10.600 7.151 -11.804 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.630 8.454 -14.954 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.508 10.195 -14.608 1.00 0.00 H new ATOM 0 HG23 ILE A 83 12.908 9.268 -14.020 1.00 0.00 H new ATOM 0 HD11 ILE A 83 12.061 5.599 -13.026 1.00 0.00 H new ATOM 0 HD12 ILE A 83 10.974 6.449 -14.150 1.00 0.00 H new ATOM 0 HD13 ILE A 83 12.679 6.943 -14.015 1.00 0.00 H new ATOM 1332 N THR A 84 9.554 11.251 -11.187 1.00 0.00 N ATOM 1333 CA THR A 84 8.396 11.726 -10.456 1.00 0.00 C ATOM 1334 C THR A 84 7.291 12.055 -11.474 1.00 0.00 C ATOM 1335 O THR A 84 7.536 12.320 -12.646 1.00 0.00 O ATOM 1336 CB THR A 84 8.794 13.016 -9.663 1.00 0.00 C ATOM 1337 OG1 THR A 84 10.169 13.220 -9.186 1.00 0.00 O ATOM 1338 CG2 THR A 84 7.917 13.075 -8.403 1.00 0.00 C ATOM 0 H THR A 84 9.821 11.865 -11.956 1.00 0.00 H new ATOM 0 HA THR A 84 8.040 10.971 -9.755 1.00 0.00 H new ATOM 0 HB THR A 84 8.662 13.786 -10.423 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.228 14.078 -8.716 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.169 13.964 -7.826 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.867 13.116 -8.692 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.092 12.187 -7.796 1.00 0.00 H new ATOM 1346 N PHE A 85 6.071 12.015 -10.910 1.00 0.00 N ATOM 1347 CA PHE A 85 4.811 12.257 -11.613 1.00 0.00 C ATOM 1348 C PHE A 85 3.923 13.021 -10.613 1.00 0.00 C ATOM 1349 O PHE A 85 3.953 12.696 -9.437 1.00 0.00 O ATOM 1350 CB PHE A 85 4.225 10.889 -11.996 1.00 0.00 C ATOM 1351 CG PHE A 85 5.212 10.065 -12.797 1.00 0.00 C ATOM 1352 CD1 PHE A 85 5.278 10.185 -14.182 1.00 0.00 C ATOM 1353 CD2 PHE A 85 6.092 9.186 -12.162 1.00 0.00 C ATOM 1354 CE1 PHE A 85 6.213 9.459 -14.911 1.00 0.00 C ATOM 1355 CE2 PHE A 85 7.025 8.456 -12.887 1.00 0.00 C ATOM 1356 CZ PHE A 85 7.088 8.595 -14.264 1.00 0.00 C ATOM 0 H PHE A 85 5.937 11.806 -9.921 1.00 0.00 H new ATOM 0 HA PHE A 85 4.912 12.839 -12.529 1.00 0.00 H new ATOM 0 HB2 PHE A 85 3.945 10.346 -11.093 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.314 11.032 -12.577 1.00 0.00 H new ATOM 0 HD1 PHE A 85 4.597 10.848 -14.695 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.046 9.072 -11.089 1.00 0.00 H new ATOM 0 HE1 PHE A 85 6.259 9.567 -15.985 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.699 7.782 -12.379 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.815 8.034 -14.833 1.00 0.00 H new ATOM 1366 N PRO A 86 3.118 14.023 -11.075 1.00 0.00 N ATOM 1367 CA PRO A 86 2.295 14.845 -10.169 1.00 0.00 C ATOM 1368 C PRO A 86 1.221 14.074 -9.370 1.00 0.00 C ATOM 1369 O PRO A 86 0.598 14.614 -8.466 1.00 0.00 O ATOM 1370 CB PRO A 86 1.644 15.876 -11.108 1.00 0.00 C ATOM 1371 CG PRO A 86 1.676 15.225 -12.494 1.00 0.00 C ATOM 1372 CD PRO A 86 2.927 14.347 -12.487 1.00 0.00 C ATOM 0 HA PRO A 86 2.917 15.274 -9.384 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.623 16.100 -10.801 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.193 16.818 -11.101 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.779 14.633 -12.673 1.00 0.00 H new ATOM 0 HG3 PRO A 86 1.725 15.976 -13.282 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.788 13.449 -13.088 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.788 14.875 -12.896 1.00 0.00 H new ATOM 1380 N THR A 87 1.053 12.792 -9.742 1.00 0.00 N ATOM 1381 CA THR A 87 0.099 11.929 -9.065 1.00 0.00 C ATOM 1382 C THR A 87 0.404 10.504 -9.490 1.00 0.00 C ATOM 1383 O THR A 87 1.054 10.279 -10.506 1.00 0.00 O ATOM 1384 CB THR A 87 -1.388 12.197 -9.422 1.00 0.00 C ATOM 1385 OG1 THR A 87 -2.351 11.203 -8.958 1.00 0.00 O ATOM 1386 CG2 THR A 87 -1.548 12.632 -10.900 1.00 0.00 C ATOM 0 H THR A 87 1.566 12.344 -10.502 1.00 0.00 H new ATOM 0 HA THR A 87 0.209 12.118 -7.997 1.00 0.00 H new ATOM 0 HB THR A 87 -1.679 13.054 -8.814 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.088 11.653 -8.494 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.602 12.811 -11.115 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.982 13.547 -11.073 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.173 11.844 -11.554 1.00 0.00 H new ATOM 1394 N LEU A 88 -0.126 9.545 -8.683 1.00 0.00 N ATOM 1395 CA LEU A 88 0.066 8.160 -9.070 1.00 0.00 C ATOM 1396 C LEU A 88 -0.546 7.938 -10.463 1.00 0.00 C ATOM 1397 O LEU A 88 0.034 7.227 -11.254 1.00 0.00 O ATOM 1398 CB LEU A 88 -0.678 7.122 -8.195 1.00 0.00 C ATOM 1399 CG LEU A 88 -0.015 6.520 -6.975 1.00 0.00 C ATOM 1400 CD1 LEU A 88 1.227 5.757 -7.330 1.00 0.00 C ATOM 1401 CD2 LEU A 88 0.331 7.405 -5.828 1.00 0.00 C ATOM 0 H LEU A 88 -0.651 9.706 -7.823 1.00 0.00 H new ATOM 0 HA LEU A 88 1.143 8.011 -8.991 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.603 7.591 -7.858 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.959 6.295 -8.848 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.828 5.888 -6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.670 5.342 -6.425 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.973 4.947 -8.014 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.941 6.427 -7.810 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.798 6.814 -5.040 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.024 8.178 -6.161 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.575 7.872 -5.442 1.00 0.00 H new ATOM 1413 N GLN A 89 -1.704 8.568 -10.762 1.00 0.00 N ATOM 1414 CA GLN A 89 -2.324 8.225 -12.052 1.00 0.00 C ATOM 1415 C GLN A 89 -1.468 8.562 -13.285 1.00 0.00 C ATOM 1416 O GLN A 89 -1.469 7.821 -14.256 1.00 0.00 O ATOM 1417 CB GLN A 89 -3.785 8.672 -12.088 1.00 0.00 C ATOM 1418 CG GLN A 89 -4.045 10.083 -12.579 1.00 0.00 C ATOM 1419 CD GLN A 89 -5.089 10.807 -11.728 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -6.192 11.122 -12.152 1.00 0.00 O ATOM 1421 NE2 GLN A 89 -4.640 11.036 -10.492 1.00 0.00 N ATOM 0 H GLN A 89 -2.190 9.255 -10.185 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.356 7.138 -12.127 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.338 7.981 -12.724 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.196 8.579 -11.083 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -3.113 10.648 -12.566 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -4.383 10.049 -13.615 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.702 10.736 -10.226 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -5.235 11.511 -9.813 1.00 0.00 H new ATOM 1430 N ALA A 90 -0.715 9.677 -13.181 1.00 0.00 N ATOM 1431 CA ALA A 90 0.172 10.079 -14.283 1.00 0.00 C ATOM 1432 C ALA A 90 1.440 9.186 -14.336 1.00 0.00 C ATOM 1433 O ALA A 90 2.209 9.192 -15.288 1.00 0.00 O ATOM 1434 CB ALA A 90 0.591 11.544 -14.081 1.00 0.00 C ATOM 0 H ALA A 90 -0.704 10.296 -12.370 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.368 9.963 -15.223 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.249 11.850 -14.894 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.295 12.178 -14.074 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.117 11.644 -13.132 1.00 0.00 H new ATOM 1440 N LEU A 91 1.599 8.437 -13.235 1.00 0.00 N ATOM 1441 CA LEU A 91 2.669 7.477 -13.030 1.00 0.00 C ATOM 1442 C LEU A 91 2.217 6.117 -13.605 1.00 0.00 C ATOM 1443 O LEU A 91 2.975 5.430 -14.269 1.00 0.00 O ATOM 1444 CB LEU A 91 3.007 7.542 -11.522 1.00 0.00 C ATOM 1445 CG LEU A 91 3.530 6.292 -10.810 1.00 0.00 C ATOM 1446 CD1 LEU A 91 4.324 6.674 -9.552 1.00 0.00 C ATOM 1447 CD2 LEU A 91 2.366 5.387 -10.415 1.00 0.00 C ATOM 0 H LEU A 91 0.960 8.492 -12.442 1.00 0.00 H new ATOM 0 HA LEU A 91 3.600 7.681 -13.559 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.750 8.329 -11.388 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.106 7.862 -10.999 1.00 0.00 H new ATOM 0 HG LEU A 91 4.189 5.762 -11.498 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.686 5.770 -9.062 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.172 7.299 -9.833 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.678 7.224 -8.867 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.749 4.501 -9.909 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.697 5.926 -9.745 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.819 5.087 -11.309 1.00 0.00 H new ATOM 1459 N VAL A 92 0.925 5.795 -13.362 1.00 0.00 N ATOM 1460 CA VAL A 92 0.302 4.566 -13.811 1.00 0.00 C ATOM 1461 C VAL A 92 -0.029 4.641 -15.328 1.00 0.00 C ATOM 1462 O VAL A 92 -0.338 3.632 -15.939 1.00 0.00 O ATOM 1463 CB VAL A 92 -0.973 4.262 -12.956 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -1.289 2.785 -12.881 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -0.944 4.655 -11.469 1.00 0.00 C ATOM 0 H VAL A 92 0.293 6.402 -12.840 1.00 0.00 H new ATOM 0 HA VAL A 92 1.003 3.743 -13.671 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.695 4.871 -13.499 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.183 2.634 -12.276 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.462 2.398 -13.885 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.451 2.256 -12.428 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.892 4.386 -11.003 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.131 4.128 -10.969 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.788 5.730 -11.380 1.00 0.00 H new ATOM 1475 N GLN A 93 0.080 5.870 -15.902 1.00 0.00 N ATOM 1476 CA GLN A 93 -0.246 6.117 -17.309 1.00 0.00 C ATOM 1477 C GLN A 93 1.019 5.906 -18.168 1.00 0.00 C ATOM 1478 O GLN A 93 1.051 5.100 -19.091 1.00 0.00 O ATOM 1479 CB GLN A 93 -0.878 7.531 -17.504 1.00 0.00 C ATOM 1480 CG GLN A 93 0.075 8.701 -17.798 1.00 0.00 C ATOM 1481 CD GLN A 93 -0.640 10.051 -17.829 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -1.857 10.156 -17.854 1.00 0.00 O ATOM 1483 NE2 GLN A 93 0.221 11.077 -17.818 1.00 0.00 N ATOM 0 H GLN A 93 0.394 6.700 -15.398 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.002 5.405 -17.640 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.596 7.468 -18.322 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -1.441 7.775 -16.603 1.00 0.00 H new ATOM 0 HG2 GLN A 93 0.857 8.726 -17.039 1.00 0.00 H new ATOM 0 HG3 GLN A 93 0.566 8.532 -18.757 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.225 10.900 -17.797 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.128 12.035 -17.831 1.00 0.00 H new ATOM 1492 N HIS A 94 2.059 6.677 -17.774 1.00 0.00 N ATOM 1493 CA HIS A 94 3.359 6.694 -18.427 1.00 0.00 C ATOM 1494 C HIS A 94 3.972 5.297 -18.409 1.00 0.00 C ATOM 1495 O HIS A 94 4.488 4.804 -19.406 1.00 0.00 O ATOM 1496 CB HIS A 94 4.258 7.701 -17.683 1.00 0.00 C ATOM 1497 CG HIS A 94 5.700 7.611 -18.144 1.00 0.00 C ATOM 1498 ND1 HIS A 94 6.689 7.073 -17.397 1.00 0.00 N ATOM 1499 CD2 HIS A 94 6.254 8.043 -19.361 1.00 0.00 C ATOM 1500 CE1 HIS A 94 7.809 7.175 -18.131 1.00 0.00 C ATOM 1501 NE2 HIS A 94 7.576 7.756 -19.324 1.00 0.00 N ATOM 0 H HIS A 94 2.002 7.311 -16.977 1.00 0.00 H new ATOM 0 HA HIS A 94 3.258 6.997 -19.469 1.00 0.00 H new ATOM 0 HB2 HIS A 94 3.886 8.712 -17.847 1.00 0.00 H new ATOM 0 HB3 HIS A 94 4.206 7.512 -16.611 1.00 0.00 H new ATOM 0 HD2 HIS A 94 5.724 8.516 -20.174 1.00 0.00 H new ATOM 0 HE1 HIS A 94 8.780 6.832 -17.804 1.00 0.00 H new ATOM 0 HE2 HIS A 94 8.262 7.943 -20.056 1.00 0.00 H new ATOM 1509 N TYR A 95 3.853 4.701 -17.205 1.00 0.00 N ATOM 1510 CA TYR A 95 4.406 3.371 -17.028 1.00 0.00 C ATOM 1511 C TYR A 95 3.623 2.306 -17.781 1.00 0.00 C ATOM 1512 O TYR A 95 4.180 1.255 -18.077 1.00 0.00 O ATOM 1513 CB TYR A 95 4.508 3.044 -15.548 1.00 0.00 C ATOM 1514 CG TYR A 95 5.598 3.783 -14.816 1.00 0.00 C ATOM 1515 CD1 TYR A 95 6.797 4.134 -15.426 1.00 0.00 C ATOM 1516 CD2 TYR A 95 5.435 4.065 -13.467 1.00 0.00 C ATOM 1517 CE1 TYR A 95 7.836 4.692 -14.712 1.00 0.00 C ATOM 1518 CE2 TYR A 95 6.455 4.637 -12.731 1.00 0.00 C ATOM 1519 CZ TYR A 95 7.688 4.887 -13.337 1.00 0.00 C ATOM 1520 OH TYR A 95 8.776 5.240 -12.564 1.00 0.00 O ATOM 0 H TYR A 95 3.400 5.106 -16.386 1.00 0.00 H new ATOM 0 HA TYR A 95 5.407 3.370 -17.460 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.553 3.268 -15.073 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.675 1.973 -15.437 1.00 0.00 H new ATOM 0 HD1 TYR A 95 6.918 3.965 -16.486 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.497 3.834 -12.985 1.00 0.00 H new ATOM 0 HE1 TYR A 95 8.752 4.975 -15.209 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.299 4.889 -11.692 1.00 0.00 H new ATOM 0 HH TYR A 95 8.496 5.336 -11.630 1.00 0.00 H new ATOM 1530 N SER A 96 2.334 2.603 -18.098 1.00 0.00 N ATOM 1531 CA SER A 96 1.621 1.589 -18.882 1.00 0.00 C ATOM 1532 C SER A 96 2.277 1.381 -20.259 1.00 0.00 C ATOM 1533 O SER A 96 2.150 0.316 -20.849 1.00 0.00 O ATOM 1534 CB SER A 96 0.117 1.930 -19.105 1.00 0.00 C ATOM 1535 OG SER A 96 -0.819 2.061 -17.966 1.00 0.00 O ATOM 0 H SER A 96 1.819 3.448 -17.849 1.00 0.00 H new ATOM 0 HA SER A 96 1.683 0.676 -18.290 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.083 2.871 -19.654 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.289 1.162 -19.763 1.00 0.00 H new ATOM 0 HG SER A 96 -0.502 2.764 -17.361 1.00 0.00 H new ATOM 1541 N LYS A 97 2.978 2.440 -20.726 1.00 0.00 N ATOM 1542 CA LYS A 97 3.653 2.352 -22.019 1.00 0.00 C ATOM 1543 C LYS A 97 5.104 1.846 -21.889 1.00 0.00 C ATOM 1544 O LYS A 97 5.597 1.151 -22.771 1.00 0.00 O ATOM 1545 CB LYS A 97 3.643 3.718 -22.726 1.00 0.00 C ATOM 1546 CG LYS A 97 2.270 4.127 -23.284 1.00 0.00 C ATOM 1547 CD LYS A 97 1.210 4.338 -22.199 1.00 0.00 C ATOM 1548 CE LYS A 97 -0.055 5.034 -22.703 1.00 0.00 C ATOM 1549 NZ LYS A 97 -0.828 4.182 -23.600 1.00 0.00 N ATOM 0 H LYS A 97 3.083 3.330 -20.239 1.00 0.00 H new ATOM 0 HA LYS A 97 3.100 1.626 -22.615 1.00 0.00 H new ATOM 0 HB2 LYS A 97 3.980 4.481 -22.024 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.364 3.697 -23.543 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.379 5.047 -23.858 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.924 3.359 -23.975 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.938 3.371 -21.776 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.642 4.929 -21.391 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.674 5.321 -21.853 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.219 5.952 -23.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.677 4.692 -23.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.247 3.929 -24.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.112 3.317 -23.098 1.00 0.00 H new ATOM 1563 N LYS A 98 5.759 2.212 -20.764 1.00 0.00 N ATOM 1564 CA LYS A 98 7.130 1.797 -20.541 1.00 0.00 C ATOM 1565 C LYS A 98 7.426 1.878 -19.034 1.00 0.00 C ATOM 1566 O LYS A 98 7.572 2.956 -18.476 1.00 0.00 O ATOM 1567 CB LYS A 98 8.035 2.731 -21.357 1.00 0.00 C ATOM 1568 CG LYS A 98 9.355 2.066 -21.699 1.00 0.00 C ATOM 1569 CD LYS A 98 10.448 2.360 -20.674 1.00 0.00 C ATOM 1570 CE LYS A 98 11.595 1.359 -20.778 1.00 0.00 C ATOM 1571 NZ LYS A 98 12.817 1.852 -20.151 1.00 0.00 N ATOM 0 H LYS A 98 5.356 2.782 -20.020 1.00 0.00 H new ATOM 0 HA LYS A 98 7.308 0.770 -20.860 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.525 3.023 -22.275 1.00 0.00 H new ATOM 0 HB3 LYS A 98 8.222 3.644 -20.792 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.207 0.988 -21.767 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.684 2.405 -22.681 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.830 3.370 -20.827 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.025 2.328 -19.670 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.300 0.421 -20.307 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.790 1.141 -21.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 13.345 1.054 -19.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 13.406 2.328 -20.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.573 2.526 -19.398 1.00 0.00 H new ATOM 1585 N GLY A 99 7.533 0.671 -18.430 1.00 0.00 N ATOM 1586 CA GLY A 99 7.793 0.522 -16.998 1.00 0.00 C ATOM 1587 C GLY A 99 9.045 1.250 -16.479 1.00 0.00 C ATOM 1588 O GLY A 99 9.015 1.892 -15.440 1.00 0.00 O ATOM 0 H GLY A 99 7.441 -0.215 -18.927 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.926 0.888 -16.448 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.890 -0.540 -16.771 1.00 0.00 H new ATOM 1592 N ASP A 100 10.142 1.098 -17.248 1.00 0.00 N ATOM 1593 CA ASP A 100 11.420 1.729 -16.910 1.00 0.00 C ATOM 1594 C ASP A 100 11.939 1.307 -15.518 1.00 0.00 C ATOM 1595 O ASP A 100 12.031 2.091 -14.581 1.00 0.00 O ATOM 1596 CB ASP A 100 11.343 3.261 -17.065 1.00 0.00 C ATOM 1597 CG ASP A 100 12.744 3.905 -17.077 1.00 0.00 C ATOM 1598 OD1 ASP A 100 13.528 3.581 -17.969 1.00 0.00 O ATOM 1599 OD2 ASP A 100 13.040 4.715 -16.199 1.00 0.00 O ATOM 0 H ASP A 100 10.162 0.544 -18.104 1.00 0.00 H new ATOM 0 HA ASP A 100 12.157 1.365 -17.626 1.00 0.00 H new ATOM 0 HB2 ASP A 100 10.822 3.507 -17.990 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.757 3.680 -16.247 1.00 0.00 H new ATOM 1604 N GLY A 101 12.276 0.005 -15.481 1.00 0.00 N ATOM 1605 CA GLY A 101 12.816 -0.603 -14.266 1.00 0.00 C ATOM 1606 C GLY A 101 11.758 -1.125 -13.282 1.00 0.00 C ATOM 1607 O GLY A 101 12.073 -1.473 -12.151 1.00 0.00 O ATOM 0 H GLY A 101 12.183 -0.634 -16.271 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.468 -1.429 -14.549 1.00 0.00 H new ATOM 0 HA3 GLY A 101 13.437 0.132 -13.754 1.00 0.00 H new ATOM 1611 N LEU A 102 10.499 -1.189 -13.769 1.00 0.00 N ATOM 1612 CA LEU A 102 9.394 -1.671 -12.947 1.00 0.00 C ATOM 1613 C LEU A 102 9.205 -3.201 -13.054 1.00 0.00 C ATOM 1614 O LEU A 102 8.197 -3.720 -12.601 1.00 0.00 O ATOM 1615 CB LEU A 102 8.110 -0.952 -13.394 1.00 0.00 C ATOM 1616 CG LEU A 102 7.879 0.432 -12.772 1.00 0.00 C ATOM 1617 CD1 LEU A 102 6.467 0.859 -13.139 1.00 0.00 C ATOM 1618 CD2 LEU A 102 8.000 0.472 -11.243 1.00 0.00 C ATOM 0 H LEU A 102 10.236 -0.914 -14.716 1.00 0.00 H new ATOM 0 HA LEU A 102 9.620 -1.454 -11.903 1.00 0.00 H new ATOM 0 HB2 LEU A 102 8.133 -0.845 -14.478 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.257 -1.586 -13.154 1.00 0.00 H new ATOM 0 HG LEU A 102 8.655 1.092 -13.160 1.00 0.00 H new ATOM 0 HD11 LEU A 102 6.262 1.842 -12.714 1.00 0.00 H new ATOM 0 HD12 LEU A 102 6.371 0.905 -14.224 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.754 0.137 -12.742 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.822 1.488 -10.890 1.00 0.00 H new ATOM 0 HD22 LEU A 102 7.263 -0.200 -10.802 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.001 0.156 -10.949 1.00 0.00 H new ATOM 1630 N CYS A 103 10.200 -3.885 -13.666 1.00 0.00 N ATOM 1631 CA CYS A 103 10.221 -5.344 -13.861 1.00 0.00 C ATOM 1632 C CYS A 103 9.396 -5.796 -15.082 1.00 0.00 C ATOM 1633 O CYS A 103 9.867 -6.519 -15.952 1.00 0.00 O ATOM 1634 CB CYS A 103 9.830 -6.145 -12.602 1.00 0.00 C ATOM 1635 SG CYS A 103 8.061 -6.474 -12.352 1.00 0.00 S ATOM 0 H CYS A 103 11.027 -3.422 -14.044 1.00 0.00 H new ATOM 0 HA CYS A 103 11.266 -5.576 -14.065 1.00 0.00 H new ATOM 0 HB2 CYS A 103 10.352 -7.102 -12.633 1.00 0.00 H new ATOM 0 HB3 CYS A 103 10.202 -5.608 -11.729 1.00 0.00 H new ATOM 0 HG CYS A 103 7.411 -5.349 -12.321 1.00 0.00 H new ATOM 1641 N GLN A 104 8.143 -5.311 -15.068 1.00 0.00 N ATOM 1642 CA GLN A 104 7.137 -5.571 -16.071 1.00 0.00 C ATOM 1643 C GLN A 104 6.197 -4.387 -15.943 1.00 0.00 C ATOM 1644 O GLN A 104 5.550 -4.173 -14.926 1.00 0.00 O ATOM 1645 CB GLN A 104 6.365 -6.880 -15.802 1.00 0.00 C ATOM 1646 CG GLN A 104 7.159 -8.159 -16.105 1.00 0.00 C ATOM 1647 CD GLN A 104 7.624 -8.207 -17.572 1.00 0.00 C ATOM 1648 OE1 GLN A 104 6.940 -7.770 -18.489 1.00 0.00 O ATOM 1649 NE2 GLN A 104 8.836 -8.757 -17.722 1.00 0.00 N ATOM 0 H GLN A 104 7.806 -4.704 -14.321 1.00 0.00 H new ATOM 0 HA GLN A 104 7.577 -5.688 -17.062 1.00 0.00 H new ATOM 0 HB2 GLN A 104 6.057 -6.897 -14.757 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.455 -6.881 -16.402 1.00 0.00 H new ATOM 0 HG2 GLN A 104 8.026 -8.214 -15.447 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.541 -9.031 -15.891 1.00 0.00 H new ATOM 0 HE21 GLN A 104 9.345 -9.099 -16.907 1.00 0.00 H new ATOM 0 HE22 GLN A 104 9.250 -8.834 -18.651 1.00 0.00 H new ATOM 1658 N LYS A 105 6.218 -3.632 -17.052 1.00 0.00 N ATOM 1659 CA LYS A 105 5.446 -2.428 -17.264 1.00 0.00 C ATOM 1660 C LYS A 105 4.026 -2.599 -16.733 1.00 0.00 C ATOM 1661 O LYS A 105 3.441 -3.672 -16.750 1.00 0.00 O ATOM 1662 CB LYS A 105 5.478 -2.083 -18.763 1.00 0.00 C ATOM 1663 CG LYS A 105 4.366 -2.721 -19.623 1.00 0.00 C ATOM 1664 CD LYS A 105 4.750 -2.873 -21.098 1.00 0.00 C ATOM 1665 CE LYS A 105 4.891 -1.507 -21.760 1.00 0.00 C ATOM 1666 NZ LYS A 105 5.160 -1.560 -23.195 1.00 0.00 N ATOM 0 H LYS A 105 6.804 -3.867 -17.853 1.00 0.00 H new ATOM 0 HA LYS A 105 5.880 -1.596 -16.710 1.00 0.00 H new ATOM 0 HB2 LYS A 105 5.417 -1.000 -18.869 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.443 -2.388 -19.166 1.00 0.00 H new ATOM 0 HG2 LYS A 105 4.120 -3.702 -19.216 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.466 -2.111 -19.551 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.688 -3.421 -21.180 1.00 0.00 H new ATOM 0 HD3 LYS A 105 3.992 -3.459 -21.618 1.00 0.00 H new ATOM 0 HE2 LYS A 105 3.975 -0.940 -21.594 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.697 -0.961 -21.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.376 -0.604 -23.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 5.972 -2.185 -23.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.324 -1.929 -23.692 1.00 0.00 H new ATOM 1680 N LEU A 106 3.545 -1.455 -16.255 1.00 0.00 N ATOM 1681 CA LEU A 106 2.203 -1.379 -15.704 1.00 0.00 C ATOM 1682 C LEU A 106 1.156 -1.720 -16.796 1.00 0.00 C ATOM 1683 O LEU A 106 1.413 -1.483 -17.967 1.00 0.00 O ATOM 1684 CB LEU A 106 2.111 0.031 -15.083 1.00 0.00 C ATOM 1685 CG LEU A 106 2.961 0.217 -13.790 1.00 0.00 C ATOM 1686 CD1 LEU A 106 2.557 1.492 -13.057 1.00 0.00 C ATOM 1687 CD2 LEU A 106 2.957 -0.925 -12.738 1.00 0.00 C ATOM 0 H LEU A 106 4.063 -0.576 -16.239 1.00 0.00 H new ATOM 0 HA LEU A 106 1.987 -2.111 -14.926 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.432 0.763 -15.824 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.068 0.247 -14.853 1.00 0.00 H new ATOM 0 HG LEU A 106 3.971 0.240 -14.198 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.163 1.602 -12.158 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.715 2.352 -13.708 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.504 1.435 -12.781 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.594 -0.648 -11.898 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.939 -1.090 -12.384 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.335 -1.840 -13.193 1.00 0.00 H new ATOM 1699 N THR A 107 0.008 -2.342 -16.401 1.00 0.00 N ATOM 1700 CA THR A 107 -0.983 -2.688 -17.438 1.00 0.00 C ATOM 1701 C THR A 107 -2.439 -2.444 -17.034 1.00 0.00 C ATOM 1702 O THR A 107 -2.942 -1.343 -17.222 1.00 0.00 O ATOM 1703 CB THR A 107 -0.814 -4.099 -18.111 1.00 0.00 C ATOM 1704 OG1 THR A 107 -1.361 -5.331 -17.523 1.00 0.00 O ATOM 1705 CG2 THR A 107 0.664 -4.333 -18.470 1.00 0.00 C ATOM 0 H THR A 107 -0.236 -2.595 -15.443 1.00 0.00 H new ATOM 0 HA THR A 107 -0.735 -1.963 -18.214 1.00 0.00 H new ATOM 0 HB THR A 107 -1.495 -3.968 -18.952 1.00 0.00 H new ATOM 0 HG1 THR A 107 -2.192 -5.572 -17.983 1.00 0.00 H new ATOM 0 HG21 THR A 107 0.775 -5.312 -18.936 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.996 -3.561 -19.164 1.00 0.00 H new ATOM 0 HG23 THR A 107 1.269 -4.292 -17.564 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.096 -3.502 -16.495 1.00 0.00 N ATOM 1714 CA LEU A 108 -4.532 -3.373 -16.221 1.00 0.00 C ATOM 1715 C LEU A 108 -4.864 -3.729 -14.770 1.00 0.00 C ATOM 1716 O LEU A 108 -4.465 -4.784 -14.309 1.00 0.00 O ATOM 1717 CB LEU A 108 -5.277 -4.370 -17.124 1.00 0.00 C ATOM 1718 CG LEU A 108 -4.962 -4.246 -18.624 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -5.244 -5.564 -19.350 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -5.740 -3.085 -19.254 1.00 0.00 C ATOM 0 H LEU A 108 -2.677 -4.401 -16.256 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.827 -2.340 -16.407 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.036 -5.382 -16.799 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.349 -4.237 -16.981 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.899 -4.028 -18.731 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.014 -5.452 -20.410 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.624 -6.353 -18.925 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.295 -5.826 -19.233 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -5.499 -3.019 -20.315 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -6.810 -3.257 -19.135 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -5.465 -2.153 -18.761 1.00 0.00 H new ATOM 1732 N PRO A 109 -5.647 -2.864 -14.065 1.00 0.00 N ATOM 1733 CA PRO A 109 -6.016 -3.114 -12.674 1.00 0.00 C ATOM 1734 C PRO A 109 -6.590 -4.521 -12.443 1.00 0.00 C ATOM 1735 O PRO A 109 -7.431 -5.015 -13.183 1.00 0.00 O ATOM 1736 CB PRO A 109 -7.019 -2.017 -12.304 1.00 0.00 C ATOM 1737 CG PRO A 109 -6.877 -0.958 -13.395 1.00 0.00 C ATOM 1738 CD PRO A 109 -6.258 -1.655 -14.607 1.00 0.00 C ATOM 0 HA PRO A 109 -5.133 -3.082 -12.036 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.035 -2.409 -12.266 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -6.802 -1.600 -11.321 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -7.847 -0.531 -13.648 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -6.246 -0.136 -13.057 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -7.014 -1.894 -15.355 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.517 -1.020 -15.094 1.00 0.00 H new ATOM 1746 N CYS A 110 -6.031 -5.123 -11.376 1.00 0.00 N ATOM 1747 CA CYS A 110 -6.406 -6.475 -10.964 1.00 0.00 C ATOM 1748 C CYS A 110 -7.911 -6.600 -10.650 1.00 0.00 C ATOM 1749 O CYS A 110 -8.585 -5.621 -10.360 1.00 0.00 O ATOM 1750 CB CYS A 110 -5.550 -6.855 -9.760 1.00 0.00 C ATOM 1751 SG CYS A 110 -5.921 -8.444 -8.969 1.00 0.00 S ATOM 0 H CYS A 110 -5.319 -4.689 -10.789 1.00 0.00 H new ATOM 0 HA CYS A 110 -6.223 -7.164 -11.788 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -4.506 -6.866 -10.074 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -5.649 -6.070 -9.010 1.00 0.00 H new ATOM 0 HG CYS A 110 -6.341 -9.287 -9.865 1.00 0.00 H new ATOM 1757 N VAL A 111 -8.396 -7.857 -10.742 1.00 0.00 N ATOM 1758 CA VAL A 111 -9.805 -8.112 -10.467 1.00 0.00 C ATOM 1759 C VAL A 111 -10.049 -7.967 -8.956 1.00 0.00 C ATOM 1760 O VAL A 111 -11.101 -7.506 -8.531 1.00 0.00 O ATOM 1761 CB VAL A 111 -10.258 -9.477 -11.029 1.00 0.00 C ATOM 1762 CG1 VAL A 111 -9.796 -10.684 -10.201 1.00 0.00 C ATOM 1763 CG2 VAL A 111 -11.783 -9.525 -11.197 1.00 0.00 C ATOM 0 H VAL A 111 -7.846 -8.678 -10.996 1.00 0.00 H new ATOM 0 HA VAL A 111 -10.421 -7.375 -10.983 1.00 0.00 H new ATOM 0 HB VAL A 111 -9.770 -9.558 -12.000 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -10.156 -11.602 -10.664 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -8.707 -10.701 -10.160 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.196 -10.606 -9.190 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.075 -10.497 -11.594 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -12.261 -9.370 -10.230 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -12.098 -8.742 -11.887 1.00 0.00 H new ATOM 1773 N ASN A 112 -9.006 -8.378 -8.180 1.00 0.00 N ATOM 1774 CA ASN A 112 -9.039 -8.297 -6.715 1.00 0.00 C ATOM 1775 C ASN A 112 -10.249 -9.074 -6.149 1.00 0.00 C ATOM 1776 O ASN A 112 -10.904 -8.656 -5.204 1.00 0.00 O ATOM 1777 CB ASN A 112 -9.056 -6.812 -6.314 1.00 0.00 C ATOM 1778 CG ASN A 112 -7.659 -6.242 -6.062 1.00 0.00 C ATOM 1779 OD1 ASN A 112 -6.788 -6.222 -6.919 1.00 0.00 O ATOM 1780 ND2 ASN A 112 -7.514 -5.776 -4.821 1.00 0.00 N ATOM 0 H ASN A 112 -8.141 -8.766 -8.556 1.00 0.00 H new ATOM 0 HA ASN A 112 -8.152 -8.765 -6.288 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -9.541 -6.235 -7.101 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -9.659 -6.692 -5.414 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -6.626 -5.366 -4.531 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -8.291 -5.829 -4.162 1.00 0.00 H new ATOM 1787 N LEU A 113 -10.483 -10.224 -6.821 1.00 0.00 N ATOM 1788 CA LEU A 113 -11.580 -11.155 -6.549 1.00 0.00 C ATOM 1789 C LEU A 113 -12.898 -10.633 -7.166 1.00 0.00 C ATOM 1790 O LEU A 113 -13.519 -11.280 -7.999 1.00 0.00 O ATOM 1791 CB LEU A 113 -11.711 -11.532 -5.060 1.00 0.00 C ATOM 1792 CG LEU A 113 -10.399 -12.024 -4.419 1.00 0.00 C ATOM 1793 CD1 LEU A 113 -10.602 -12.336 -2.932 1.00 0.00 C ATOM 1794 CD2 LEU A 113 -9.822 -13.249 -5.146 1.00 0.00 C ATOM 0 H LEU A 113 -9.889 -10.531 -7.591 1.00 0.00 H new ATOM 0 HA LEU A 113 -11.337 -12.097 -7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -12.070 -10.664 -4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -12.467 -12.311 -4.958 1.00 0.00 H new ATOM 0 HG LEU A 113 -9.676 -11.214 -4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -9.662 -12.682 -2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -10.930 -11.435 -2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -11.358 -13.113 -2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -8.898 -13.560 -4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -10.543 -14.066 -5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -9.615 -12.992 -6.185 1.00 0.00 H new ATOM 1806 N ALA A 114 -13.256 -9.418 -6.704 1.00 0.00 N ATOM 1807 CA ALA A 114 -14.441 -8.699 -7.148 1.00 0.00 C ATOM 1808 C ALA A 114 -14.195 -7.183 -6.954 1.00 0.00 C ATOM 1809 O ALA A 114 -14.095 -6.459 -7.946 1.00 0.00 O ATOM 1810 CB ALA A 114 -15.667 -9.182 -6.357 1.00 0.00 C ATOM 1811 OXT ALA A 114 -14.093 -6.743 -5.805 1.00 0.00 O ATOM 0 H ALA A 114 -12.715 -8.912 -6.003 1.00 0.00 H new ATOM 0 HA ALA A 114 -14.637 -8.890 -8.203 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -16.552 -8.641 -6.692 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.809 -10.250 -6.523 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -15.510 -8.998 -5.294 1.00 0.00 H new TER 1817 ALA A 114