USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 850 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 NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 124 ZNZN :(H bumps) USER MOD Set 1.1: A 36 ASN : amide:sc= -6.73! K(o=-6.9!,f=-1.1) USER MOD Set 1.2: A 41 SER OG : rot 129:sc= 1.02 USER MOD Set 1.3: A 61 HIS : no HE2:sc= -1.17 K(o=-6.9,f=-3.6) USER MOD Set 2.1: A 6 ASN : amide:sc= -0.359 K(o=0.28,f=-3.2) USER MOD Set 2.2: A 96 HIS : no HE2:sc= 0.643 K(o=0.28,f=-3!) USER MOD Set 3.1: A 4 TYR OH : rot 180:sc= 0.459 USER MOD Set 3.2: A 87 GLN : amide:sc= 1.36 X(o=1.8,f=1.7) USER MOD Single : A 1 VAL N :NH3+ 148:sc= -0.062 (180deg=-0.283) USER MOD Single : A 2 SER OG : rot -88:sc= 0.164 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -3.68! K(o=-3.7!,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.5) USER MOD Single : A 13 ASN : amide:sc= -0.0297 X(o=-0.03,f=-0.094) USER MOD Single : A 20 SER OG : rot 180:sc= -0.228 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : A 32 ASN : amide:sc= -3.16! C(o=-3.2!,f=-3.5!) USER MOD Single : A 38 THR OG1 : rot 174:sc= 0.762 USER MOD Single : A 46 LYS NZ :NH3+ 165:sc= -0.0505 (180deg=-0.272) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0935 K(o=-0.093,f=-0.91) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.462 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -59:sc= 1.81 USER MOD Single : A 77 THR OG1 : rot -50:sc= 1.2 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 130:sc=-0.00133 USER MOD Single : A 99 LYS NZ :NH3+ 170:sc=-0.00392 (180deg=-0.142) USER MOD Single : A 100 HIS : no HD1:sc= -5.42! C(o=-5.4!,f=-6.1!) USER MOD Single : A 103 HIS : no HD1:sc= 1.05 K(o=1,f=-5.6!) USER MOD Single : A 108 MET CE :methyl -171:sc= -0.183 (180deg=-0.465) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 111 MET CE :methyl -158:sc= -0.104 (180deg=-0.631) USER MOD Single : A 112 HIS : no HD1:sc= -0.0738 X(o=-0.074,f=-0.081) USER MOD Single : A 114 THR OG1 : rot 46:sc= 0.471 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -5.444 -9.085 -11.581 1.00 0.75 N ATOM 2 CA VAL A 1 -6.093 -9.123 -10.251 1.00 0.65 C ATOM 3 C VAL A 1 -5.458 -10.202 -9.382 1.00 0.73 C ATOM 4 O VAL A 1 -5.411 -11.372 -9.759 1.00 0.89 O ATOM 5 CB VAL A 1 -7.621 -9.353 -10.369 1.00 0.76 C ATOM 6 CG1 VAL A 1 -7.917 -10.589 -11.195 1.00 1.17 C ATOM 7 CG2 VAL A 1 -8.270 -9.459 -8.995 1.00 1.17 C ATOM 0 H1 VAL A 1 -6.141 -8.802 -12.299 1.00 0.75 H new ATOM 0 H2 VAL A 1 -4.663 -8.398 -11.567 1.00 0.75 H new ATOM 0 H3 VAL A 1 -5.071 -10.028 -11.813 1.00 0.75 H new ATOM 0 HA VAL A 1 -5.940 -8.153 -9.779 1.00 0.65 H new ATOM 0 HB VAL A 1 -8.049 -8.489 -10.877 1.00 0.76 H new ATOM 0 HG11 VAL A 1 -8.996 -10.731 -11.264 1.00 1.17 H new ATOM 0 HG12 VAL A 1 -7.502 -10.466 -12.195 1.00 1.17 H new ATOM 0 HG13 VAL A 1 -7.466 -11.461 -10.720 1.00 1.17 H new ATOM 0 HG21 VAL A 1 -9.342 -9.620 -9.110 1.00 1.17 H new ATOM 0 HG22 VAL A 1 -7.834 -10.296 -8.450 1.00 1.17 H new ATOM 0 HG23 VAL A 1 -8.099 -8.537 -8.440 1.00 1.17 H new ATOM 17 N SER A 2 -4.946 -9.797 -8.229 1.00 0.77 N ATOM 18 CA SER A 2 -4.309 -10.733 -7.318 1.00 1.05 C ATOM 19 C SER A 2 -5.344 -11.584 -6.596 1.00 0.74 C ATOM 20 O SER A 2 -6.224 -11.064 -5.912 1.00 0.74 O ATOM 21 CB SER A 2 -3.456 -9.983 -6.299 1.00 1.59 C ATOM 22 OG SER A 2 -2.452 -9.226 -6.941 1.00 2.17 O ATOM 0 H SER A 2 -4.960 -8.830 -7.904 1.00 0.77 H new ATOM 0 HA SER A 2 -3.670 -11.391 -7.907 1.00 1.05 H new ATOM 0 HB2 SER A 2 -4.089 -9.325 -5.704 1.00 1.59 H new ATOM 0 HB3 SER A 2 -2.997 -10.693 -5.610 1.00 1.59 H new ATOM 0 HG SER A 2 -1.654 -9.781 -7.067 1.00 2.17 H new ATOM 28 N LYS A 3 -5.226 -12.899 -6.749 1.00 1.00 N ATOM 29 CA LYS A 3 -6.086 -13.835 -6.031 1.00 1.20 C ATOM 30 C LYS A 3 -5.798 -13.763 -4.535 1.00 1.01 C ATOM 31 O LYS A 3 -6.624 -14.141 -3.706 1.00 1.21 O ATOM 32 CB LYS A 3 -5.880 -15.262 -6.549 1.00 1.77 C ATOM 33 CG LYS A 3 -4.447 -15.756 -6.454 1.00 2.09 C ATOM 34 CD LYS A 3 -4.300 -17.155 -7.029 1.00 2.48 C ATOM 35 CE LYS A 3 -2.850 -17.609 -7.021 1.00 2.97 C ATOM 36 NZ LYS A 3 -2.687 -18.957 -7.621 1.00 3.76 N ATOM 0 H LYS A 3 -4.543 -13.341 -7.364 1.00 1.00 H new ATOM 0 HA LYS A 3 -7.126 -13.558 -6.203 1.00 1.20 H new ATOM 0 HB2 LYS A 3 -6.524 -15.938 -5.986 1.00 1.77 H new ATOM 0 HB3 LYS A 3 -6.201 -15.309 -7.590 1.00 1.77 H new ATOM 0 HG2 LYS A 3 -3.789 -15.071 -6.989 1.00 2.09 H new ATOM 0 HG3 LYS A 3 -4.129 -15.755 -5.411 1.00 2.09 H new ATOM 0 HD2 LYS A 3 -4.904 -17.853 -6.450 1.00 2.48 H new ATOM 0 HD3 LYS A 3 -4.683 -17.172 -8.050 1.00 2.48 H new ATOM 0 HE2 LYS A 3 -2.242 -16.891 -7.572 1.00 2.97 H new ATOM 0 HE3 LYS A 3 -2.479 -17.621 -5.996 1.00 2.97 H new ATOM 0 HZ1 LYS A 3 -1.684 -19.229 -7.596 1.00 3.76 H new ATOM 0 HZ2 LYS A 3 -3.247 -19.647 -7.081 1.00 3.76 H new ATOM 0 HZ3 LYS A 3 -3.017 -18.940 -8.607 1.00 3.76 H new ATOM 50 N TYR A 4 -4.617 -13.249 -4.206 1.00 0.82 N ATOM 51 CA TYR A 4 -4.217 -13.034 -2.821 1.00 0.74 C ATOM 52 C TYR A 4 -5.080 -11.975 -2.154 1.00 0.71 C ATOM 53 O TYR A 4 -5.193 -11.938 -0.933 1.00 0.85 O ATOM 54 CB TYR A 4 -2.748 -12.622 -2.753 1.00 0.79 C ATOM 55 CG TYR A 4 -1.817 -13.747 -2.373 1.00 0.97 C ATOM 56 CD1 TYR A 4 -1.765 -14.920 -3.117 1.00 1.18 C ATOM 57 CD2 TYR A 4 -0.991 -13.636 -1.262 1.00 1.63 C ATOM 58 CE1 TYR A 4 -0.914 -15.949 -2.764 1.00 1.59 C ATOM 59 CE2 TYR A 4 -0.137 -14.658 -0.905 1.00 2.20 C ATOM 60 CZ TYR A 4 -0.102 -15.812 -1.658 1.00 2.07 C ATOM 61 OH TYR A 4 0.756 -16.828 -1.308 1.00 2.69 O ATOM 0 H TYR A 4 -3.913 -12.971 -4.890 1.00 0.82 H new ATOM 0 HA TYR A 4 -4.354 -13.973 -2.285 1.00 0.74 H new ATOM 0 HB2 TYR A 4 -2.446 -12.225 -3.722 1.00 0.79 H new ATOM 0 HB3 TYR A 4 -2.640 -11.814 -2.030 1.00 0.79 H new ATOM 0 HD1 TYR A 4 -2.400 -15.028 -3.984 1.00 1.18 H new ATOM 0 HD2 TYR A 4 -1.018 -12.734 -0.668 1.00 1.63 H new ATOM 0 HE1 TYR A 4 -0.885 -16.855 -3.351 1.00 1.59 H new ATOM 0 HE2 TYR A 4 0.501 -14.555 -0.040 1.00 2.20 H new ATOM 0 HH TYR A 4 1.257 -16.571 -0.506 1.00 2.69 H new ATOM 71 N ALA A 5 -5.699 -11.128 -2.961 1.00 0.72 N ATOM 72 CA ALA A 5 -6.560 -10.075 -2.445 1.00 0.78 C ATOM 73 C ALA A 5 -7.832 -10.672 -1.859 1.00 0.84 C ATOM 74 O ALA A 5 -8.465 -10.084 -0.985 1.00 1.03 O ATOM 75 CB ALA A 5 -6.890 -9.075 -3.540 1.00 1.02 C ATOM 0 H ALA A 5 -5.621 -11.149 -3.978 1.00 0.72 H new ATOM 0 HA ALA A 5 -6.030 -9.549 -1.651 1.00 0.78 H new ATOM 0 HB1 ALA A 5 -7.535 -8.294 -3.137 1.00 1.02 H new ATOM 0 HB2 ALA A 5 -5.969 -8.628 -3.914 1.00 1.02 H new ATOM 0 HB3 ALA A 5 -7.403 -9.585 -4.355 1.00 1.02 H new ATOM 81 N ASN A 6 -8.192 -11.855 -2.341 1.00 0.88 N ATOM 82 CA ASN A 6 -9.352 -12.571 -1.826 1.00 1.15 C ATOM 83 C ASN A 6 -8.953 -13.441 -0.643 1.00 1.35 C ATOM 84 O ASN A 6 -9.800 -13.986 0.055 1.00 1.76 O ATOM 85 CB ASN A 6 -9.969 -13.457 -2.907 1.00 1.22 C ATOM 86 CG ASN A 6 -10.475 -12.688 -4.111 1.00 1.60 C ATOM 87 OD1 ASN A 6 -10.913 -11.544 -4.003 1.00 2.19 O ATOM 88 ND2 ASN A 6 -10.414 -13.318 -5.272 1.00 2.25 N ATOM 0 H ASN A 6 -7.696 -12.340 -3.089 1.00 0.88 H new ATOM 0 HA ASN A 6 -10.086 -11.830 -1.508 1.00 1.15 H new ATOM 0 HB2 ASN A 6 -9.226 -14.183 -3.237 1.00 1.22 H new ATOM 0 HB3 ASN A 6 -10.795 -14.021 -2.474 1.00 1.22 H new ATOM 0 HD21 ASN A 6 -10.737 -12.855 -6.121 1.00 2.25 H new ATOM 0 HD22 ASN A 6 -10.043 -14.267 -5.318 1.00 2.25 H new ATOM 95 N ASN A 7 -7.650 -13.574 -0.428 1.00 1.33 N ATOM 96 CA ASN A 7 -7.124 -14.501 0.569 1.00 1.82 C ATOM 97 C ASN A 7 -6.408 -13.769 1.694 1.00 1.74 C ATOM 98 O ASN A 7 -5.916 -14.397 2.634 1.00 2.40 O ATOM 99 CB ASN A 7 -6.151 -15.490 -0.087 1.00 2.31 C ATOM 100 CG ASN A 7 -6.842 -16.609 -0.849 1.00 2.79 C ATOM 101 OD1 ASN A 7 -6.277 -17.689 -1.028 1.00 3.33 O ATOM 102 ND2 ASN A 7 -8.067 -16.373 -1.283 1.00 3.26 N ATOM 0 H ASN A 7 -6.935 -13.050 -0.932 1.00 1.33 H new ATOM 0 HA ASN A 7 -7.972 -15.039 0.992 1.00 1.82 H new ATOM 0 HB2 ASN A 7 -5.498 -14.946 -0.770 1.00 2.31 H new ATOM 0 HB3 ASN A 7 -5.514 -15.925 0.683 1.00 2.31 H new ATOM 0 HD21 ASN A 7 -8.578 -17.098 -1.786 1.00 3.26 H new ATOM 0 HD22 ASN A 7 -8.501 -15.466 -1.115 1.00 3.26 H new ATOM 109 N LEU A 8 -6.349 -12.446 1.615 1.00 1.18 N ATOM 110 CA LEU A 8 -5.587 -11.682 2.589 1.00 1.17 C ATOM 111 C LEU A 8 -6.298 -11.569 3.929 1.00 0.94 C ATOM 112 O LEU A 8 -7.475 -11.909 4.069 1.00 1.12 O ATOM 113 CB LEU A 8 -5.226 -10.285 2.073 1.00 1.36 C ATOM 114 CG LEU A 8 -6.325 -9.493 1.357 1.00 1.46 C ATOM 115 CD1 LEU A 8 -7.624 -9.437 2.152 1.00 1.38 C ATOM 116 CD2 LEU A 8 -5.830 -8.088 1.105 1.00 2.10 C ATOM 0 H LEU A 8 -6.812 -11.888 0.898 1.00 1.18 H new ATOM 0 HA LEU A 8 -4.665 -12.243 2.742 1.00 1.17 H new ATOM 0 HB2 LEU A 8 -4.880 -9.692 2.920 1.00 1.36 H new ATOM 0 HB3 LEU A 8 -4.383 -10.386 1.389 1.00 1.36 H new ATOM 0 HG LEU A 8 -6.544 -10.005 0.420 1.00 1.46 H new ATOM 0 HD11 LEU A 8 -8.366 -8.864 1.597 1.00 1.38 H new ATOM 0 HD12 LEU A 8 -7.995 -10.449 2.315 1.00 1.38 H new ATOM 0 HD13 LEU A 8 -7.441 -8.958 3.114 1.00 1.38 H new ATOM 0 HD21 LEU A 8 -6.605 -7.515 0.595 1.00 2.10 H new ATOM 0 HD22 LEU A 8 -5.591 -7.610 2.055 1.00 2.10 H new ATOM 0 HD23 LEU A 8 -4.936 -8.123 0.482 1.00 2.10 H new ATOM 128 N THR A 9 -5.549 -11.123 4.912 1.00 0.92 N ATOM 129 CA THR A 9 -6.080 -10.822 6.224 1.00 0.82 C ATOM 130 C THR A 9 -5.740 -9.378 6.568 1.00 0.67 C ATOM 131 O THR A 9 -4.636 -8.919 6.268 1.00 0.76 O ATOM 132 CB THR A 9 -5.504 -11.772 7.291 1.00 1.14 C ATOM 133 OG1 THR A 9 -5.592 -13.125 6.823 1.00 1.34 O ATOM 134 CG2 THR A 9 -6.266 -11.636 8.600 1.00 1.25 C ATOM 0 H THR A 9 -4.546 -10.957 4.824 1.00 0.92 H new ATOM 0 HA THR A 9 -7.161 -10.960 6.211 1.00 0.82 H new ATOM 0 HB THR A 9 -4.461 -11.508 7.467 1.00 1.14 H new ATOM 0 HG1 THR A 9 -5.224 -13.730 7.500 1.00 1.34 H new ATOM 0 HG21 THR A 9 -5.843 -12.316 9.340 1.00 1.25 H new ATOM 0 HG22 THR A 9 -6.187 -10.611 8.962 1.00 1.25 H new ATOM 0 HG23 THR A 9 -7.315 -11.884 8.438 1.00 1.25 H new ATOM 142 N GLN A 10 -6.677 -8.655 7.155 1.00 0.63 N ATOM 143 CA GLN A 10 -6.414 -7.281 7.555 1.00 0.63 C ATOM 144 C GLN A 10 -6.067 -7.219 9.039 1.00 0.66 C ATOM 145 O GLN A 10 -6.894 -7.515 9.904 1.00 0.85 O ATOM 146 CB GLN A 10 -7.601 -6.377 7.219 1.00 0.78 C ATOM 147 CG GLN A 10 -7.833 -6.237 5.723 1.00 0.90 C ATOM 148 CD GLN A 10 -8.965 -5.288 5.385 1.00 1.21 C ATOM 149 OE1 GLN A 10 -9.906 -5.114 6.157 1.00 1.49 O ATOM 150 NE2 GLN A 10 -8.885 -4.672 4.215 1.00 1.91 N ATOM 0 H GLN A 10 -7.617 -8.990 7.364 1.00 0.63 H new ATOM 0 HA GLN A 10 -5.556 -6.913 6.992 1.00 0.63 H new ATOM 0 HB2 GLN A 10 -8.501 -6.779 7.685 1.00 0.78 H new ATOM 0 HB3 GLN A 10 -7.433 -5.390 7.649 1.00 0.78 H new ATOM 0 HG2 GLN A 10 -6.917 -5.883 5.250 1.00 0.90 H new ATOM 0 HG3 GLN A 10 -8.051 -7.218 5.301 1.00 0.90 H new ATOM 0 HE21 GLN A 10 -8.088 -4.843 3.602 1.00 1.91 H new ATOM 0 HE22 GLN A 10 -9.621 -4.027 3.927 1.00 1.91 H new ATOM 159 N LEU A 11 -4.827 -6.838 9.310 1.00 0.56 N ATOM 160 CA LEU A 11 -4.283 -6.830 10.660 1.00 0.56 C ATOM 161 C LEU A 11 -4.853 -5.654 11.443 1.00 0.57 C ATOM 162 O LEU A 11 -4.807 -4.511 10.987 1.00 0.73 O ATOM 163 CB LEU A 11 -2.751 -6.730 10.584 1.00 0.62 C ATOM 164 CG LEU A 11 -1.953 -7.353 11.741 1.00 0.53 C ATOM 165 CD1 LEU A 11 -2.239 -6.656 13.063 1.00 0.91 C ATOM 166 CD2 LEU A 11 -2.242 -8.843 11.848 1.00 0.88 C ATOM 0 H LEU A 11 -4.168 -6.525 8.597 1.00 0.56 H new ATOM 0 HA LEU A 11 -4.559 -7.751 11.173 1.00 0.56 H new ATOM 0 HB2 LEU A 11 -2.426 -7.201 9.656 1.00 0.62 H new ATOM 0 HB3 LEU A 11 -2.483 -5.676 10.517 1.00 0.62 H new ATOM 0 HG LEU A 11 -0.894 -7.216 11.521 1.00 0.53 H new ATOM 0 HD11 LEU A 11 -1.656 -7.125 13.855 1.00 0.91 H new ATOM 0 HD12 LEU A 11 -1.965 -5.604 12.986 1.00 0.91 H new ATOM 0 HD13 LEU A 11 -3.301 -6.739 13.296 1.00 0.91 H new ATOM 0 HD21 LEU A 11 -1.668 -9.267 12.672 1.00 0.88 H new ATOM 0 HD22 LEU A 11 -3.306 -8.995 12.030 1.00 0.88 H new ATOM 0 HD23 LEU A 11 -1.959 -9.336 10.918 1.00 0.88 H new ATOM 178 N ASP A 12 -5.408 -5.937 12.610 1.00 0.63 N ATOM 179 CA ASP A 12 -5.920 -4.888 13.475 1.00 0.83 C ATOM 180 C ASP A 12 -5.046 -4.736 14.709 1.00 0.94 C ATOM 181 O ASP A 12 -5.177 -5.486 15.675 1.00 1.05 O ATOM 182 CB ASP A 12 -7.367 -5.168 13.884 1.00 1.10 C ATOM 183 CG ASP A 12 -8.344 -4.270 13.156 1.00 1.44 C ATOM 184 OD1 ASP A 12 -8.388 -3.060 13.469 1.00 2.02 O ATOM 185 OD2 ASP A 12 -9.065 -4.762 12.264 1.00 1.94 O ATOM 0 H ASP A 12 -5.515 -6.882 12.979 1.00 0.63 H new ATOM 0 HA ASP A 12 -5.898 -3.954 12.914 1.00 0.83 H new ATOM 0 HB2 ASP A 12 -7.608 -6.210 13.676 1.00 1.10 H new ATOM 0 HB3 ASP A 12 -7.474 -5.025 14.959 1.00 1.10 H new ATOM 190 N ASN A 13 -4.143 -3.770 14.662 1.00 1.02 N ATOM 191 CA ASN A 13 -3.269 -3.477 15.788 1.00 1.28 C ATOM 192 C ASN A 13 -3.275 -1.975 16.047 1.00 1.44 C ATOM 193 O ASN A 13 -2.228 -1.332 16.098 1.00 1.62 O ATOM 194 CB ASN A 13 -1.843 -3.968 15.499 1.00 1.46 C ATOM 195 CG ASN A 13 -0.973 -4.036 16.743 1.00 1.77 C ATOM 196 OD1 ASN A 13 -0.925 -5.062 17.422 1.00 1.90 O ATOM 197 ND2 ASN A 13 -0.276 -2.953 17.048 1.00 2.47 N ATOM 0 H ASN A 13 -3.995 -3.171 13.850 1.00 1.02 H new ATOM 0 HA ASN A 13 -3.632 -3.997 16.675 1.00 1.28 H new ATOM 0 HB2 ASN A 13 -1.891 -4.956 15.042 1.00 1.46 H new ATOM 0 HB3 ASN A 13 -1.376 -3.303 14.772 1.00 1.46 H new ATOM 0 HD21 ASN A 13 0.327 -2.950 17.870 1.00 2.47 H new ATOM 0 HD22 ASN A 13 -0.342 -2.122 16.461 1.00 2.47 H new ATOM 204 N GLY A 14 -4.472 -1.415 16.167 1.00 1.54 N ATOM 205 CA GLY A 14 -4.607 0.018 16.359 1.00 1.82 C ATOM 206 C GLY A 14 -4.187 0.789 15.125 1.00 1.62 C ATOM 207 O GLY A 14 -3.895 1.987 15.189 1.00 1.79 O ATOM 0 H GLY A 14 -5.353 -1.927 16.135 1.00 1.54 H new ATOM 0 HA2 GLY A 14 -5.642 0.257 16.603 1.00 1.82 H new ATOM 0 HA3 GLY A 14 -3.999 0.331 17.208 1.00 1.82 H new ATOM 211 N VAL A 15 -4.157 0.094 13.996 1.00 1.30 N ATOM 212 CA VAL A 15 -3.712 0.674 12.744 1.00 1.12 C ATOM 213 C VAL A 15 -4.755 1.626 12.176 1.00 1.26 C ATOM 214 O VAL A 15 -5.900 1.253 11.905 1.00 1.39 O ATOM 215 CB VAL A 15 -3.349 -0.422 11.713 1.00 0.92 C ATOM 216 CG1 VAL A 15 -4.517 -1.361 11.477 1.00 0.98 C ATOM 217 CG2 VAL A 15 -2.870 0.191 10.405 1.00 0.93 C ATOM 0 H VAL A 15 -4.440 -0.883 13.926 1.00 1.30 H new ATOM 0 HA VAL A 15 -2.810 1.249 12.953 1.00 1.12 H new ATOM 0 HB VAL A 15 -2.529 -1.007 12.128 1.00 0.92 H new ATOM 0 HG11 VAL A 15 -4.232 -2.120 10.748 1.00 0.98 H new ATOM 0 HG12 VAL A 15 -4.791 -1.843 12.415 1.00 0.98 H new ATOM 0 HG13 VAL A 15 -5.368 -0.795 11.098 1.00 0.98 H new ATOM 0 HG21 VAL A 15 -2.622 -0.603 9.700 1.00 0.93 H new ATOM 0 HG22 VAL A 15 -3.659 0.816 9.985 1.00 0.93 H new ATOM 0 HG23 VAL A 15 -1.985 0.800 10.591 1.00 0.93 H new ATOM 227 N ARG A 16 -4.349 2.872 12.045 1.00 1.34 N ATOM 228 CA ARG A 16 -5.197 3.914 11.515 1.00 1.54 C ATOM 229 C ARG A 16 -4.390 4.782 10.562 1.00 1.39 C ATOM 230 O ARG A 16 -3.707 5.716 10.981 1.00 1.49 O ATOM 231 CB ARG A 16 -5.765 4.743 12.665 1.00 1.95 C ATOM 232 CG ARG A 16 -6.668 5.886 12.224 1.00 2.24 C ATOM 233 CD ARG A 16 -7.891 5.379 11.473 1.00 2.54 C ATOM 234 NE ARG A 16 -8.693 4.450 12.274 1.00 3.18 N ATOM 235 CZ ARG A 16 -10.019 4.359 12.191 1.00 3.77 C ATOM 236 NH1 ARG A 16 -10.687 5.141 11.351 1.00 3.91 N ATOM 237 NH2 ARG A 16 -10.674 3.481 12.940 1.00 4.59 N ATOM 0 H ARG A 16 -3.415 3.190 12.305 1.00 1.34 H new ATOM 0 HA ARG A 16 -6.030 3.476 10.964 1.00 1.54 H new ATOM 0 HB2 ARG A 16 -6.327 4.086 13.328 1.00 1.95 H new ATOM 0 HB3 ARG A 16 -4.938 5.151 13.246 1.00 1.95 H new ATOM 0 HG2 ARG A 16 -6.987 6.455 13.097 1.00 2.24 H new ATOM 0 HG3 ARG A 16 -6.106 6.568 11.586 1.00 2.24 H new ATOM 0 HD2 ARG A 16 -8.509 6.226 11.177 1.00 2.54 H new ATOM 0 HD3 ARG A 16 -7.571 4.882 10.557 1.00 2.54 H new ATOM 0 HE ARG A 16 -8.209 3.839 12.932 1.00 3.18 H new ATOM 0 HH11 ARG A 16 -10.184 5.811 10.769 1.00 3.91 H new ATOM 0 HH12 ARG A 16 -11.703 5.071 11.287 1.00 3.91 H new ATOM 0 HH21 ARG A 16 -10.162 2.875 13.581 1.00 4.59 H new ATOM 0 HH22 ARG A 16 -11.690 3.413 12.875 1.00 4.59 H new ATOM 251 N ILE A 17 -4.448 4.447 9.285 1.00 1.28 N ATOM 252 CA ILE A 17 -3.698 5.176 8.278 1.00 1.19 C ATOM 253 C ILE A 17 -4.491 6.401 7.839 1.00 1.73 C ATOM 254 O ILE A 17 -5.640 6.284 7.412 1.00 2.16 O ATOM 255 CB ILE A 17 -3.381 4.299 7.047 1.00 1.21 C ATOM 256 CG1 ILE A 17 -2.907 2.905 7.475 1.00 1.00 C ATOM 257 CG2 ILE A 17 -2.309 4.977 6.211 1.00 1.15 C ATOM 258 CD1 ILE A 17 -1.534 2.894 8.105 1.00 0.64 C ATOM 0 H ILE A 17 -5.007 3.675 8.921 1.00 1.28 H new ATOM 0 HA ILE A 17 -2.751 5.479 8.724 1.00 1.19 H new ATOM 0 HB ILE A 17 -4.290 4.181 6.457 1.00 1.21 H new ATOM 0 HG12 ILE A 17 -3.624 2.489 8.182 1.00 1.00 H new ATOM 0 HG13 ILE A 17 -2.902 2.250 6.604 1.00 1.00 H new ATOM 0 HG21 ILE A 17 -2.082 4.361 5.341 1.00 1.15 H new ATOM 0 HG22 ILE A 17 -2.667 5.952 5.882 1.00 1.15 H new ATOM 0 HG23 ILE A 17 -1.407 5.105 6.810 1.00 1.15 H new ATOM 0 HD11 ILE A 17 -1.269 1.874 8.381 1.00 0.64 H new ATOM 0 HD12 ILE A 17 -0.804 3.279 7.393 1.00 0.64 H new ATOM 0 HD13 ILE A 17 -1.538 3.522 8.996 1.00 0.64 H new ATOM 270 N PRO A 18 -3.894 7.592 7.944 1.00 1.80 N ATOM 271 CA PRO A 18 -4.586 8.836 7.682 1.00 2.40 C ATOM 272 C PRO A 18 -4.541 9.259 6.221 1.00 2.55 C ATOM 273 O PRO A 18 -3.582 8.980 5.499 1.00 2.19 O ATOM 274 CB PRO A 18 -3.827 9.837 8.540 1.00 2.44 C ATOM 275 CG PRO A 18 -2.443 9.287 8.673 1.00 1.82 C ATOM 276 CD PRO A 18 -2.491 7.822 8.312 1.00 1.42 C ATOM 0 HA PRO A 18 -5.649 8.755 7.909 1.00 2.40 H new ATOM 0 HB2 PRO A 18 -3.814 10.822 8.074 1.00 2.44 H new ATOM 0 HB3 PRO A 18 -4.298 9.953 9.516 1.00 2.44 H new ATOM 0 HG2 PRO A 18 -1.756 9.820 8.016 1.00 1.82 H new ATOM 0 HG3 PRO A 18 -2.076 9.418 9.691 1.00 1.82 H new ATOM 0 HD2 PRO A 18 -1.819 7.593 7.485 1.00 1.42 H new ATOM 0 HD3 PRO A 18 -2.190 7.194 9.151 1.00 1.42 H new ATOM 284 N PRO A 19 -5.591 9.960 5.787 1.00 3.21 N ATOM 285 CA PRO A 19 -5.700 10.516 4.433 1.00 3.52 C ATOM 286 C PRO A 19 -4.799 11.736 4.224 1.00 3.11 C ATOM 287 O PRO A 19 -4.904 12.429 3.210 1.00 3.33 O ATOM 288 CB PRO A 19 -7.162 10.963 4.332 1.00 4.30 C ATOM 289 CG PRO A 19 -7.847 10.461 5.564 1.00 4.44 C ATOM 290 CD PRO A 19 -6.781 10.245 6.593 1.00 3.79 C ATOM 0 HA PRO A 19 -5.398 9.781 3.687 1.00 3.52 H new ATOM 0 HB2 PRO A 19 -7.232 12.049 4.265 1.00 4.30 H new ATOM 0 HB3 PRO A 19 -7.630 10.557 3.435 1.00 4.30 H new ATOM 0 HG2 PRO A 19 -8.585 11.181 5.917 1.00 4.44 H new ATOM 0 HG3 PRO A 19 -8.380 9.533 5.359 1.00 4.44 H new ATOM 0 HD2 PRO A 19 -6.642 11.126 7.219 1.00 3.79 H new ATOM 0 HD3 PRO A 19 -7.025 9.416 7.258 1.00 3.79 H new ATOM 298 N SER A 20 -3.927 11.994 5.183 1.00 2.62 N ATOM 299 CA SER A 20 -3.086 13.186 5.175 1.00 2.22 C ATOM 300 C SER A 20 -1.881 13.050 4.237 1.00 1.11 C ATOM 301 O SER A 20 -0.792 13.543 4.535 1.00 1.53 O ATOM 302 CB SER A 20 -2.618 13.474 6.601 1.00 3.11 C ATOM 303 OG SER A 20 -2.123 12.296 7.217 1.00 3.71 O ATOM 0 H SER A 20 -3.779 11.387 5.989 1.00 2.62 H new ATOM 0 HA SER A 20 -3.683 14.016 4.797 1.00 2.22 H new ATOM 0 HB2 SER A 20 -1.839 14.236 6.586 1.00 3.11 H new ATOM 0 HB3 SER A 20 -3.446 13.875 7.186 1.00 3.11 H new ATOM 0 HG SER A 20 -1.827 12.503 8.128 1.00 3.71 H new ATOM 309 N GLY A 21 -2.080 12.395 3.102 1.00 1.33 N ATOM 310 CA GLY A 21 -1.014 12.263 2.130 1.00 1.87 C ATOM 311 C GLY A 21 -0.186 11.013 2.338 1.00 1.69 C ATOM 312 O GLY A 21 0.602 10.637 1.470 1.00 2.56 O ATOM 0 H GLY A 21 -2.960 11.953 2.837 1.00 1.33 H new ATOM 0 HA2 GLY A 21 -1.442 12.248 1.127 1.00 1.87 H new ATOM 0 HA3 GLY A 21 -0.365 13.137 2.187 1.00 1.87 H new ATOM 316 N TRP A 22 -0.383 10.368 3.489 1.00 0.80 N ATOM 317 CA TRP A 22 0.340 9.157 3.854 1.00 0.60 C ATOM 318 C TRP A 22 1.838 9.427 3.977 1.00 0.47 C ATOM 319 O TRP A 22 2.304 10.542 3.729 1.00 0.57 O ATOM 320 CB TRP A 22 0.066 8.044 2.840 1.00 0.60 C ATOM 321 CG TRP A 22 -1.394 7.724 2.697 1.00 0.94 C ATOM 322 CD1 TRP A 22 -2.136 6.930 3.516 1.00 1.96 C ATOM 323 CD2 TRP A 22 -2.288 8.190 1.674 1.00 1.26 C ATOM 324 NE1 TRP A 22 -3.435 6.875 3.075 1.00 2.25 N ATOM 325 CE2 TRP A 22 -3.554 7.640 1.947 1.00 1.73 C ATOM 326 CE3 TRP A 22 -2.143 9.020 0.556 1.00 2.10 C ATOM 327 CZ2 TRP A 22 -4.665 7.892 1.146 1.00 2.22 C ATOM 328 CZ3 TRP A 22 -3.246 9.270 -0.237 1.00 2.82 C ATOM 329 CH2 TRP A 22 -4.493 8.708 0.062 1.00 2.65 C ATOM 0 H TRP A 22 -1.052 10.675 4.195 1.00 0.80 H new ATOM 0 HA TRP A 22 -0.018 8.828 4.830 1.00 0.60 H new ATOM 0 HB2 TRP A 22 0.464 8.339 1.869 1.00 0.60 H new ATOM 0 HB3 TRP A 22 0.601 7.144 3.144 1.00 0.60 H new ATOM 0 HD1 TRP A 22 -1.757 6.417 4.388 1.00 1.96 H new ATOM 0 HE1 TRP A 22 -4.189 6.349 3.517 1.00 2.25 H new ATOM 0 HE3 TRP A 22 -1.185 9.457 0.318 1.00 2.10 H new ATOM 0 HZ2 TRP A 22 -5.628 7.459 1.373 1.00 2.22 H new ATOM 0 HZ3 TRP A 22 -3.145 9.909 -1.102 1.00 2.82 H new ATOM 0 HH2 TRP A 22 -5.337 8.923 -0.577 1.00 2.65 H new ATOM 340 N LYS A 23 2.581 8.406 4.389 1.00 0.41 N ATOM 341 CA LYS A 23 4.019 8.529 4.586 1.00 0.39 C ATOM 342 C LYS A 23 4.573 7.216 5.106 1.00 0.37 C ATOM 343 O LYS A 23 3.911 6.529 5.885 1.00 0.39 O ATOM 344 CB LYS A 23 4.320 9.652 5.577 1.00 0.51 C ATOM 345 CG LYS A 23 5.758 10.126 5.556 1.00 0.59 C ATOM 346 CD LYS A 23 5.854 11.545 6.071 1.00 0.70 C ATOM 347 CE LYS A 23 4.882 12.440 5.327 1.00 0.67 C ATOM 348 NZ LYS A 23 5.106 13.880 5.618 1.00 1.23 N ATOM 0 H LYS A 23 2.208 7.479 4.594 1.00 0.41 H new ATOM 0 HA LYS A 23 4.492 8.768 3.633 1.00 0.39 H new ATOM 0 HB2 LYS A 23 3.667 10.497 5.361 1.00 0.51 H new ATOM 0 HB3 LYS A 23 4.076 9.310 6.583 1.00 0.51 H new ATOM 0 HG2 LYS A 23 6.373 9.468 6.169 1.00 0.59 H new ATOM 0 HG3 LYS A 23 6.150 10.074 4.540 1.00 0.59 H new ATOM 0 HD2 LYS A 23 5.636 11.567 7.139 1.00 0.70 H new ATOM 0 HD3 LYS A 23 6.871 11.917 5.946 1.00 0.70 H new ATOM 0 HE2 LYS A 23 4.981 12.268 4.255 1.00 0.67 H new ATOM 0 HE3 LYS A 23 3.862 12.171 5.600 1.00 0.67 H new ATOM 0 HZ1 LYS A 23 4.419 14.452 5.087 1.00 1.23 H new ATOM 0 HZ2 LYS A 23 4.986 14.051 6.637 1.00 1.23 H new ATOM 0 HZ3 LYS A 23 6.070 14.146 5.334 1.00 1.23 H new ATOM 362 N CYS A 24 5.778 6.865 4.676 1.00 0.37 N ATOM 363 CA CYS A 24 6.370 5.597 5.054 1.00 0.40 C ATOM 364 C CYS A 24 6.780 5.610 6.519 1.00 0.48 C ATOM 365 O CYS A 24 6.758 6.656 7.171 1.00 0.57 O ATOM 366 CB CYS A 24 7.584 5.273 4.186 1.00 0.46 C ATOM 367 SG CYS A 24 9.018 6.313 4.508 1.00 0.80 S ATOM 0 H CYS A 24 6.360 7.441 4.067 1.00 0.37 H new ATOM 0 HA CYS A 24 5.616 4.825 4.900 1.00 0.40 H new ATOM 0 HB2 CYS A 24 7.862 4.231 4.344 1.00 0.46 H new ATOM 0 HB3 CYS A 24 7.304 5.373 3.137 1.00 0.46 H new ATOM 372 N ALA A 25 7.143 4.447 7.027 1.00 0.50 N ATOM 373 CA ALA A 25 7.586 4.305 8.402 1.00 0.62 C ATOM 374 C ALA A 25 8.738 5.256 8.736 1.00 0.70 C ATOM 375 O ALA A 25 8.656 6.038 9.681 1.00 0.90 O ATOM 376 CB ALA A 25 7.990 2.863 8.643 1.00 0.72 C ATOM 0 H ALA A 25 7.139 3.574 6.499 1.00 0.50 H new ATOM 0 HA ALA A 25 6.760 4.573 9.061 1.00 0.62 H new ATOM 0 HB1 ALA A 25 8.325 2.746 9.674 1.00 0.72 H new ATOM 0 HB2 ALA A 25 7.135 2.211 8.463 1.00 0.72 H new ATOM 0 HB3 ALA A 25 8.801 2.594 7.966 1.00 0.72 H new ATOM 382 N ARG A 26 9.807 5.191 7.949 1.00 0.72 N ATOM 383 CA ARG A 26 11.001 5.999 8.215 1.00 0.88 C ATOM 384 C ARG A 26 10.954 7.390 7.557 1.00 0.84 C ATOM 385 O ARG A 26 10.500 8.354 8.173 1.00 0.94 O ATOM 386 CB ARG A 26 12.257 5.268 7.767 1.00 1.00 C ATOM 387 CG ARG A 26 12.867 4.347 8.814 1.00 1.18 C ATOM 388 CD ARG A 26 11.931 3.234 9.240 1.00 1.06 C ATOM 389 NE ARG A 26 11.103 3.599 10.387 1.00 1.71 N ATOM 390 CZ ARG A 26 10.550 2.713 11.217 1.00 1.86 C ATOM 391 NH1 ARG A 26 10.775 1.412 11.056 1.00 1.80 N ATOM 392 NH2 ARG A 26 9.783 3.131 12.217 1.00 2.59 N ATOM 0 H ARG A 26 9.875 4.592 7.126 1.00 0.72 H new ATOM 0 HA ARG A 26 11.024 6.152 9.294 1.00 0.88 H new ATOM 0 HB2 ARG A 26 12.022 4.681 6.880 1.00 1.00 H new ATOM 0 HB3 ARG A 26 13.004 6.005 7.472 1.00 1.00 H new ATOM 0 HG2 ARG A 26 13.784 3.911 8.417 1.00 1.18 H new ATOM 0 HG3 ARG A 26 13.146 4.935 9.689 1.00 1.18 H new ATOM 0 HD2 ARG A 26 11.286 2.967 8.403 1.00 1.06 H new ATOM 0 HD3 ARG A 26 12.516 2.348 9.487 1.00 1.06 H new ATOM 0 HE ARG A 26 10.938 4.590 10.564 1.00 1.71 H new ATOM 0 HH11 ARG A 26 11.373 1.088 10.295 1.00 1.80 H new ATOM 0 HH12 ARG A 26 10.350 0.738 11.693 1.00 1.80 H new ATOM 0 HH21 ARG A 26 9.617 4.129 12.350 1.00 2.59 H new ATOM 0 HH22 ARG A 26 9.360 2.454 12.852 1.00 2.59 H new ATOM 406 N CYS A 27 11.444 7.481 6.308 1.00 0.75 N ATOM 407 CA CYS A 27 11.595 8.769 5.599 1.00 0.75 C ATOM 408 C CYS A 27 10.300 9.582 5.521 1.00 0.75 C ATOM 409 O CYS A 27 9.204 9.073 5.749 1.00 0.85 O ATOM 410 CB CYS A 27 12.093 8.529 4.176 1.00 0.75 C ATOM 411 SG CYS A 27 12.652 6.847 3.856 1.00 0.76 S ATOM 0 H CYS A 27 11.745 6.673 5.763 1.00 0.75 H new ATOM 0 HA CYS A 27 12.314 9.345 6.181 1.00 0.75 H new ATOM 0 HB2 CYS A 27 11.292 8.771 3.478 1.00 0.75 H new ATOM 0 HB3 CYS A 27 12.913 9.217 3.971 1.00 0.75 H new ATOM 416 N ASP A 28 10.453 10.848 5.150 1.00 0.72 N ATOM 417 CA ASP A 28 9.325 11.761 5.009 1.00 0.74 C ATOM 418 C ASP A 28 8.871 11.827 3.553 1.00 0.68 C ATOM 419 O ASP A 28 8.548 12.897 3.038 1.00 0.89 O ATOM 420 CB ASP A 28 9.718 13.164 5.487 1.00 0.86 C ATOM 421 CG ASP A 28 8.527 14.013 5.907 1.00 1.34 C ATOM 422 OD1 ASP A 28 7.683 14.374 5.055 1.00 1.66 O ATOM 423 OD2 ASP A 28 8.437 14.346 7.105 1.00 2.00 O ATOM 0 H ASP A 28 11.358 11.269 4.939 1.00 0.72 H new ATOM 0 HA ASP A 28 8.503 11.389 5.621 1.00 0.74 H new ATOM 0 HB2 ASP A 28 10.406 13.074 6.328 1.00 0.86 H new ATOM 0 HB3 ASP A 28 10.256 13.675 4.688 1.00 0.86 H new ATOM 428 N LEU A 29 8.887 10.694 2.864 1.00 0.53 N ATOM 429 CA LEU A 29 8.323 10.650 1.532 1.00 0.47 C ATOM 430 C LEU A 29 6.814 10.699 1.598 1.00 0.48 C ATOM 431 O LEU A 29 6.183 9.967 2.359 1.00 0.51 O ATOM 432 CB LEU A 29 8.785 9.425 0.762 1.00 0.46 C ATOM 433 CG LEU A 29 10.099 9.617 0.014 1.00 0.48 C ATOM 434 CD1 LEU A 29 10.497 8.344 -0.698 1.00 0.52 C ATOM 435 CD2 LEU A 29 9.977 10.769 -0.967 1.00 0.56 C ATOM 0 H LEU A 29 9.277 9.813 3.200 1.00 0.53 H new ATOM 0 HA LEU A 29 8.682 11.527 0.993 1.00 0.47 H new ATOM 0 HB2 LEU A 29 8.894 8.592 1.457 1.00 0.46 H new ATOM 0 HB3 LEU A 29 8.011 9.145 0.048 1.00 0.46 H new ATOM 0 HG LEU A 29 10.881 9.858 0.735 1.00 0.48 H new ATOM 0 HD11 LEU A 29 11.437 8.501 -1.226 1.00 0.52 H new ATOM 0 HD12 LEU A 29 10.620 7.543 0.031 1.00 0.52 H new ATOM 0 HD13 LEU A 29 9.721 8.069 -1.413 1.00 0.52 H new ATOM 0 HD21 LEU A 29 10.921 10.898 -1.496 1.00 0.56 H new ATOM 0 HD22 LEU A 29 9.185 10.554 -1.685 1.00 0.56 H new ATOM 0 HD23 LEU A 29 9.737 11.684 -0.426 1.00 0.56 H new ATOM 447 N ARG A 30 6.259 11.582 0.800 1.00 0.51 N ATOM 448 CA ARG A 30 4.833 11.846 0.789 1.00 0.59 C ATOM 449 C ARG A 30 4.253 11.336 -0.521 1.00 0.60 C ATOM 450 O ARG A 30 3.093 11.573 -0.856 1.00 0.71 O ATOM 451 CB ARG A 30 4.631 13.348 0.945 1.00 0.72 C ATOM 452 CG ARG A 30 5.454 13.893 2.091 1.00 0.94 C ATOM 453 CD ARG A 30 5.431 15.398 2.153 1.00 1.06 C ATOM 454 NE ARG A 30 6.260 15.887 3.253 1.00 2.05 N ATOM 455 CZ ARG A 30 6.172 17.106 3.776 1.00 2.56 C ATOM 456 NH1 ARG A 30 5.317 17.991 3.278 1.00 2.36 N ATOM 457 NH2 ARG A 30 6.949 17.436 4.802 1.00 3.67 N ATOM 0 H ARG A 30 6.787 12.144 0.133 1.00 0.51 H new ATOM 0 HA ARG A 30 4.323 11.336 1.606 1.00 0.59 H new ATOM 0 HB2 ARG A 30 4.910 13.853 0.020 1.00 0.72 H new ATOM 0 HB3 ARG A 30 3.576 13.560 1.118 1.00 0.72 H new ATOM 0 HG2 ARG A 30 5.077 13.488 3.030 1.00 0.94 H new ATOM 0 HG3 ARG A 30 6.484 13.552 1.988 1.00 0.94 H new ATOM 0 HD2 ARG A 30 5.790 15.810 1.210 1.00 1.06 H new ATOM 0 HD3 ARG A 30 4.406 15.745 2.283 1.00 1.06 H new ATOM 0 HE ARG A 30 6.953 15.250 3.646 1.00 2.05 H new ATOM 0 HH11 ARG A 30 4.722 17.737 2.489 1.00 2.36 H new ATOM 0 HH12 ARG A 30 5.255 18.925 3.684 1.00 2.36 H new ATOM 0 HH21 ARG A 30 7.607 16.756 5.183 1.00 3.67 H new ATOM 0 HH22 ARG A 30 6.887 18.369 5.209 1.00 3.67 H new ATOM 471 N GLU A 31 5.111 10.628 -1.244 1.00 0.55 N ATOM 472 CA GLU A 31 4.798 10.046 -2.538 1.00 0.65 C ATOM 473 C GLU A 31 5.601 8.767 -2.702 1.00 0.55 C ATOM 474 O GLU A 31 6.479 8.481 -1.882 1.00 0.49 O ATOM 475 CB GLU A 31 5.156 11.014 -3.668 1.00 0.81 C ATOM 476 CG GLU A 31 4.134 12.108 -3.912 1.00 1.49 C ATOM 477 CD GLU A 31 2.900 11.596 -4.623 1.00 2.12 C ATOM 478 OE1 GLU A 31 3.029 10.694 -5.477 1.00 2.41 O ATOM 479 OE2 GLU A 31 1.787 12.070 -4.305 1.00 2.82 O ATOM 0 H GLU A 31 6.065 10.439 -0.938 1.00 0.55 H new ATOM 0 HA GLU A 31 3.729 9.837 -2.586 1.00 0.65 H new ATOM 0 HB2 GLU A 31 6.117 11.477 -3.441 1.00 0.81 H new ATOM 0 HB3 GLU A 31 5.286 10.445 -4.588 1.00 0.81 H new ATOM 0 HG2 GLU A 31 3.844 12.550 -2.959 1.00 1.49 H new ATOM 0 HG3 GLU A 31 4.589 12.901 -4.505 1.00 1.49 H new ATOM 486 N ASN A 32 5.307 8.008 -3.758 1.00 0.60 N ATOM 487 CA ASN A 32 6.015 6.758 -4.041 1.00 0.61 C ATOM 488 C ASN A 32 5.899 5.816 -2.841 1.00 0.50 C ATOM 489 O ASN A 32 6.844 5.109 -2.485 1.00 0.54 O ATOM 490 CB ASN A 32 7.493 7.049 -4.357 1.00 0.69 C ATOM 491 CG ASN A 32 8.216 5.895 -5.032 1.00 1.23 C ATOM 492 OD1 ASN A 32 9.402 5.676 -4.798 1.00 1.82 O ATOM 493 ND2 ASN A 32 7.527 5.183 -5.912 1.00 2.01 N ATOM 0 H ASN A 32 4.580 8.238 -4.435 1.00 0.60 H new ATOM 0 HA ASN A 32 5.564 6.278 -4.909 1.00 0.61 H new ATOM 0 HB2 ASN A 32 7.551 7.927 -5.000 1.00 0.69 H new ATOM 0 HB3 ASN A 32 8.011 7.297 -3.430 1.00 0.69 H new ATOM 0 HD21 ASN A 32 7.980 4.424 -6.421 1.00 2.01 H new ATOM 0 HD22 ASN A 32 6.543 5.394 -6.080 1.00 2.01 H new ATOM 500 N LEU A 33 4.730 5.833 -2.210 1.00 0.41 N ATOM 501 CA LEU A 33 4.503 5.064 -0.995 1.00 0.32 C ATOM 502 C LEU A 33 3.714 3.802 -1.285 1.00 0.30 C ATOM 503 O LEU A 33 2.952 3.741 -2.248 1.00 0.34 O ATOM 504 CB LEU A 33 3.742 5.898 0.037 1.00 0.31 C ATOM 505 CG LEU A 33 4.405 7.211 0.432 1.00 0.34 C ATOM 506 CD1 LEU A 33 3.380 8.153 1.036 1.00 0.39 C ATOM 507 CD2 LEU A 33 5.530 6.962 1.423 1.00 0.32 C ATOM 0 H LEU A 33 3.923 6.373 -2.522 1.00 0.41 H new ATOM 0 HA LEU A 33 5.480 4.791 -0.597 1.00 0.32 H new ATOM 0 HB2 LEU A 33 2.749 6.116 -0.357 1.00 0.31 H new ATOM 0 HB3 LEU A 33 3.603 5.296 0.935 1.00 0.31 H new ATOM 0 HG LEU A 33 4.825 7.670 -0.463 1.00 0.34 H new ATOM 0 HD11 LEU A 33 3.865 9.088 1.315 1.00 0.39 H new ATOM 0 HD12 LEU A 33 2.596 8.354 0.306 1.00 0.39 H new ATOM 0 HD13 LEU A 33 2.941 7.694 1.922 1.00 0.39 H new ATOM 0 HD21 LEU A 33 5.993 7.911 1.694 1.00 0.32 H new ATOM 0 HD22 LEU A 33 5.128 6.485 2.317 1.00 0.32 H new ATOM 0 HD23 LEU A 33 6.277 6.311 0.969 1.00 0.32 H new ATOM 519 N TRP A 34 3.898 2.809 -0.439 1.00 0.28 N ATOM 520 CA TRP A 34 3.168 1.564 -0.541 1.00 0.28 C ATOM 521 C TRP A 34 2.506 1.220 0.783 1.00 0.27 C ATOM 522 O TRP A 34 3.172 0.935 1.775 1.00 0.31 O ATOM 523 CB TRP A 34 4.091 0.436 -0.996 1.00 0.32 C ATOM 524 CG TRP A 34 4.257 0.393 -2.485 1.00 0.57 C ATOM 525 CD1 TRP A 34 3.448 -0.251 -3.374 1.00 1.79 C ATOM 526 CD2 TRP A 34 5.283 1.026 -3.262 1.00 0.53 C ATOM 527 NE1 TRP A 34 3.907 -0.061 -4.653 1.00 1.85 N ATOM 528 CE2 TRP A 34 5.031 0.717 -4.613 1.00 0.73 C ATOM 529 CE3 TRP A 34 6.391 1.818 -2.951 1.00 1.77 C ATOM 530 CZ2 TRP A 34 5.839 1.176 -5.647 1.00 0.67 C ATOM 531 CZ3 TRP A 34 7.192 2.274 -3.981 1.00 2.25 C ATOM 532 CH2 TRP A 34 6.913 1.950 -5.314 1.00 1.47 C ATOM 0 H TRP A 34 4.558 2.843 0.338 1.00 0.28 H new ATOM 0 HA TRP A 34 2.385 1.686 -1.289 1.00 0.28 H new ATOM 0 HB2 TRP A 34 5.068 0.560 -0.529 1.00 0.32 H new ATOM 0 HB3 TRP A 34 3.691 -0.517 -0.651 1.00 0.32 H new ATOM 0 HD1 TRP A 34 2.573 -0.827 -3.110 1.00 1.79 H new ATOM 0 HE1 TRP A 34 3.479 -0.439 -5.498 1.00 1.85 H new ATOM 0 HE3 TRP A 34 6.617 2.069 -1.925 1.00 1.77 H new ATOM 0 HZ2 TRP A 34 5.625 0.929 -6.676 1.00 0.67 H new ATOM 0 HZ3 TRP A 34 8.048 2.891 -3.753 1.00 2.25 H new ATOM 0 HH2 TRP A 34 7.561 2.320 -6.095 1.00 1.47 H new ATOM 543 N LEU A 35 1.188 1.280 0.781 1.00 0.25 N ATOM 544 CA LEU A 35 0.388 0.962 1.948 1.00 0.26 C ATOM 545 C LEU A 35 0.077 -0.530 1.943 1.00 0.27 C ATOM 546 O LEU A 35 -0.782 -0.985 1.186 1.00 0.29 O ATOM 547 CB LEU A 35 -0.913 1.769 1.893 1.00 0.28 C ATOM 548 CG LEU A 35 -1.652 2.025 3.214 1.00 0.32 C ATOM 549 CD1 LEU A 35 -2.976 2.703 2.914 1.00 0.36 C ATOM 550 CD2 LEU A 35 -1.885 0.751 4.017 1.00 0.32 C ATOM 0 H LEU A 35 0.639 1.552 -0.035 1.00 0.25 H new ATOM 0 HA LEU A 35 0.930 1.214 2.860 1.00 0.26 H new ATOM 0 HB2 LEU A 35 -0.689 2.736 1.442 1.00 0.28 H new ATOM 0 HB3 LEU A 35 -1.598 1.254 1.220 1.00 0.28 H new ATOM 0 HG LEU A 35 -1.022 2.668 3.829 1.00 0.32 H new ATOM 0 HD11 LEU A 35 -3.509 2.889 3.846 1.00 0.36 H new ATOM 0 HD12 LEU A 35 -2.793 3.649 2.405 1.00 0.36 H new ATOM 0 HD13 LEU A 35 -3.578 2.058 2.274 1.00 0.36 H new ATOM 0 HD21 LEU A 35 -2.411 0.994 4.940 1.00 0.32 H new ATOM 0 HD22 LEU A 35 -2.485 0.055 3.430 1.00 0.32 H new ATOM 0 HD23 LEU A 35 -0.926 0.291 4.256 1.00 0.32 H new ATOM 562 N ASN A 36 0.774 -1.282 2.780 1.00 0.28 N ATOM 563 CA ASN A 36 0.589 -2.728 2.848 1.00 0.30 C ATOM 564 C ASN A 36 -0.860 -3.082 3.200 1.00 0.30 C ATOM 565 O ASN A 36 -1.456 -2.506 4.113 1.00 0.35 O ATOM 566 CB ASN A 36 1.564 -3.332 3.863 1.00 0.37 C ATOM 567 CG ASN A 36 1.453 -4.843 3.947 1.00 0.83 C ATOM 568 OD1 ASN A 36 2.107 -5.568 3.208 1.00 1.62 O ATOM 569 ND2 ASN A 36 0.658 -5.331 4.877 1.00 1.44 N ATOM 0 H ASN A 36 1.475 -0.917 3.424 1.00 0.28 H new ATOM 0 HA ASN A 36 0.800 -3.152 1.866 1.00 0.30 H new ATOM 0 HB2 ASN A 36 2.583 -3.060 3.589 1.00 0.37 H new ATOM 0 HB3 ASN A 36 1.373 -2.902 4.846 1.00 0.37 H new ATOM 0 HD21 ASN A 36 0.574 -6.340 4.998 1.00 1.44 H new ATOM 0 HD22 ASN A 36 0.127 -4.700 5.476 1.00 1.44 H new ATOM 576 N LEU A 37 -1.413 -4.039 2.457 1.00 0.28 N ATOM 577 CA LEU A 37 -2.838 -4.381 2.534 1.00 0.31 C ATOM 578 C LEU A 37 -3.212 -5.012 3.866 1.00 0.33 C ATOM 579 O LEU A 37 -4.368 -4.960 4.281 1.00 0.40 O ATOM 580 CB LEU A 37 -3.213 -5.343 1.398 1.00 0.33 C ATOM 581 CG LEU A 37 -3.555 -4.693 0.054 1.00 0.41 C ATOM 582 CD1 LEU A 37 -5.003 -4.237 0.043 1.00 0.59 C ATOM 583 CD2 LEU A 37 -2.637 -3.522 -0.228 1.00 0.54 C ATOM 0 H LEU A 37 -0.890 -4.600 1.785 1.00 0.28 H new ATOM 0 HA LEU A 37 -3.393 -3.448 2.438 1.00 0.31 H new ATOM 0 HB2 LEU A 37 -2.384 -6.034 1.245 1.00 0.33 H new ATOM 0 HB3 LEU A 37 -4.068 -5.938 1.720 1.00 0.33 H new ATOM 0 HG LEU A 37 -3.413 -5.437 -0.730 1.00 0.41 H new ATOM 0 HD11 LEU A 37 -5.232 -3.777 -0.918 1.00 0.59 H new ATOM 0 HD12 LEU A 37 -5.656 -5.096 0.199 1.00 0.59 H new ATOM 0 HD13 LEU A 37 -5.162 -3.511 0.840 1.00 0.59 H new ATOM 0 HD21 LEU A 37 -2.899 -3.077 -1.188 1.00 0.54 H new ATOM 0 HD22 LEU A 37 -2.746 -2.776 0.560 1.00 0.54 H new ATOM 0 HD23 LEU A 37 -1.604 -3.869 -0.259 1.00 0.54 H new ATOM 595 N THR A 38 -2.233 -5.587 4.530 1.00 0.32 N ATOM 596 CA THR A 38 -2.488 -6.366 5.730 1.00 0.37 C ATOM 597 C THR A 38 -2.350 -5.538 7.010 1.00 0.35 C ATOM 598 O THR A 38 -3.348 -5.164 7.623 1.00 0.40 O ATOM 599 CB THR A 38 -1.557 -7.594 5.785 1.00 0.43 C ATOM 600 OG1 THR A 38 -1.851 -8.463 4.687 1.00 0.53 O ATOM 601 CG2 THR A 38 -1.711 -8.352 7.095 1.00 0.48 C ATOM 0 H THR A 38 -1.250 -5.532 4.262 1.00 0.32 H new ATOM 0 HA THR A 38 -3.524 -6.700 5.675 1.00 0.37 H new ATOM 0 HB THR A 38 -0.527 -7.244 5.719 1.00 0.43 H new ATOM 0 HG1 THR A 38 -1.196 -9.191 4.662 1.00 0.53 H new ATOM 0 HG21 THR A 38 -1.040 -9.211 7.099 1.00 0.48 H new ATOM 0 HG22 THR A 38 -1.463 -7.694 7.928 1.00 0.48 H new ATOM 0 HG23 THR A 38 -2.740 -8.695 7.198 1.00 0.48 H new ATOM 609 N ASP A 39 -1.120 -5.237 7.395 1.00 0.34 N ATOM 610 CA ASP A 39 -0.844 -4.658 8.708 1.00 0.36 C ATOM 611 C ASP A 39 -0.780 -3.132 8.668 1.00 0.32 C ATOM 612 O ASP A 39 -0.517 -2.489 9.684 1.00 0.48 O ATOM 613 CB ASP A 39 0.469 -5.232 9.251 1.00 0.45 C ATOM 614 CG ASP A 39 1.686 -4.782 8.454 1.00 0.95 C ATOM 615 OD1 ASP A 39 1.525 -4.373 7.287 1.00 1.44 O ATOM 616 OD2 ASP A 39 2.813 -4.814 8.999 1.00 1.32 O ATOM 0 H ASP A 39 -0.292 -5.383 6.818 1.00 0.34 H new ATOM 0 HA ASP A 39 -1.668 -4.923 9.370 1.00 0.36 H new ATOM 0 HB2 ASP A 39 0.590 -4.929 10.291 1.00 0.45 H new ATOM 0 HB3 ASP A 39 0.416 -6.321 9.240 1.00 0.45 H new ATOM 621 N GLY A 40 -1.028 -2.560 7.496 1.00 0.28 N ATOM 622 CA GLY A 40 -1.006 -1.114 7.346 1.00 0.27 C ATOM 623 C GLY A 40 0.394 -0.539 7.343 1.00 0.29 C ATOM 624 O GLY A 40 0.583 0.645 7.620 1.00 0.39 O ATOM 0 H GLY A 40 -1.245 -3.073 6.642 1.00 0.28 H new ATOM 0 HA2 GLY A 40 -1.505 -0.844 6.416 1.00 0.27 H new ATOM 0 HA3 GLY A 40 -1.576 -0.662 8.157 1.00 0.27 H new ATOM 628 N SER A 41 1.384 -1.367 7.046 1.00 0.29 N ATOM 629 CA SER A 41 2.746 -0.878 6.928 1.00 0.38 C ATOM 630 C SER A 41 2.905 -0.033 5.671 1.00 0.32 C ATOM 631 O SER A 41 2.977 -0.554 4.557 1.00 0.32 O ATOM 632 CB SER A 41 3.746 -2.034 6.934 1.00 0.51 C ATOM 633 OG SER A 41 3.903 -2.566 8.242 1.00 0.93 O ATOM 0 H SER A 41 1.271 -2.368 6.884 1.00 0.29 H new ATOM 0 HA SER A 41 2.956 -0.249 7.793 1.00 0.38 H new ATOM 0 HB2 SER A 41 3.405 -2.818 6.258 1.00 0.51 H new ATOM 0 HB3 SER A 41 4.710 -1.688 6.561 1.00 0.51 H new ATOM 0 HG SER A 41 3.779 -3.538 8.217 1.00 0.93 H new ATOM 639 N VAL A 42 2.925 1.275 5.864 1.00 0.32 N ATOM 640 CA VAL A 42 3.127 2.212 4.772 1.00 0.28 C ATOM 641 C VAL A 42 4.615 2.431 4.573 1.00 0.29 C ATOM 642 O VAL A 42 5.318 2.863 5.486 1.00 0.35 O ATOM 643 CB VAL A 42 2.450 3.574 5.036 1.00 0.28 C ATOM 644 CG1 VAL A 42 2.665 4.518 3.860 1.00 0.26 C ATOM 645 CG2 VAL A 42 0.967 3.397 5.311 1.00 0.31 C ATOM 0 H VAL A 42 2.803 1.715 6.776 1.00 0.32 H new ATOM 0 HA VAL A 42 2.672 1.782 3.880 1.00 0.28 H new ATOM 0 HB VAL A 42 2.911 4.014 5.920 1.00 0.28 H new ATOM 0 HG11 VAL A 42 2.180 5.472 4.066 1.00 0.26 H new ATOM 0 HG12 VAL A 42 3.733 4.678 3.712 1.00 0.26 H new ATOM 0 HG13 VAL A 42 2.236 4.080 2.959 1.00 0.26 H new ATOM 0 HG21 VAL A 42 0.512 4.371 5.494 1.00 0.31 H new ATOM 0 HG22 VAL A 42 0.490 2.930 4.449 1.00 0.31 H new ATOM 0 HG23 VAL A 42 0.833 2.763 6.188 1.00 0.31 H new ATOM 655 N LEU A 43 5.097 2.115 3.390 1.00 0.28 N ATOM 656 CA LEU A 43 6.517 2.201 3.103 1.00 0.33 C ATOM 657 C LEU A 43 6.736 3.027 1.841 1.00 0.30 C ATOM 658 O LEU A 43 5.787 3.587 1.314 1.00 0.29 O ATOM 659 CB LEU A 43 7.078 0.789 2.978 1.00 0.44 C ATOM 660 CG LEU A 43 6.749 -0.111 4.176 1.00 0.51 C ATOM 661 CD1 LEU A 43 7.209 -1.535 3.923 1.00 0.63 C ATOM 662 CD2 LEU A 43 7.376 0.435 5.460 1.00 0.54 C ATOM 0 H LEU A 43 4.526 1.795 2.608 1.00 0.28 H new ATOM 0 HA LEU A 43 7.047 2.704 3.912 1.00 0.33 H new ATOM 0 HB2 LEU A 43 6.685 0.330 2.071 1.00 0.44 H new ATOM 0 HB3 LEU A 43 8.160 0.846 2.863 1.00 0.44 H new ATOM 0 HG LEU A 43 5.666 -0.117 4.302 1.00 0.51 H new ATOM 0 HD11 LEU A 43 6.965 -2.155 4.786 1.00 0.63 H new ATOM 0 HD12 LEU A 43 6.706 -1.928 3.040 1.00 0.63 H new ATOM 0 HD13 LEU A 43 8.287 -1.546 3.761 1.00 0.63 H new ATOM 0 HD21 LEU A 43 7.128 -0.221 6.294 1.00 0.54 H new ATOM 0 HD22 LEU A 43 8.459 0.481 5.345 1.00 0.54 H new ATOM 0 HD23 LEU A 43 6.989 1.435 5.657 1.00 0.54 H new ATOM 674 N CYS A 44 7.971 3.137 1.369 1.00 0.40 N ATOM 675 CA CYS A 44 8.254 4.017 0.242 1.00 0.46 C ATOM 676 C CYS A 44 9.366 3.452 -0.631 1.00 0.61 C ATOM 677 O CYS A 44 10.155 2.626 -0.172 1.00 0.71 O ATOM 678 CB CYS A 44 8.672 5.405 0.744 1.00 0.52 C ATOM 679 SG CYS A 44 10.442 5.549 1.118 1.00 0.71 S ATOM 0 H CYS A 44 8.780 2.638 1.740 1.00 0.40 H new ATOM 0 HA CYS A 44 7.343 4.096 -0.352 1.00 0.46 H new ATOM 0 HB2 CYS A 44 8.408 6.148 -0.009 1.00 0.52 H new ATOM 0 HB3 CYS A 44 8.100 5.644 1.641 1.00 0.52 H new ATOM 684 N GLY A 45 9.395 3.883 -1.891 1.00 0.68 N ATOM 685 CA GLY A 45 10.533 3.640 -2.768 1.00 0.87 C ATOM 686 C GLY A 45 10.724 2.194 -3.199 1.00 1.23 C ATOM 687 O GLY A 45 11.552 1.927 -4.070 1.00 2.12 O ATOM 0 H GLY A 45 8.636 4.406 -2.327 1.00 0.68 H new ATOM 0 HA2 GLY A 45 10.421 4.256 -3.660 1.00 0.87 H new ATOM 0 HA3 GLY A 45 11.439 3.974 -2.262 1.00 0.87 H new ATOM 691 N LYS A 46 9.970 1.269 -2.603 1.00 1.63 N ATOM 692 CA LYS A 46 10.141 -0.169 -2.845 1.00 2.41 C ATOM 693 C LYS A 46 11.476 -0.639 -2.258 1.00 2.38 C ATOM 694 O LYS A 46 11.510 -1.350 -1.254 1.00 2.93 O ATOM 695 CB LYS A 46 10.075 -0.493 -4.350 1.00 3.41 C ATOM 696 CG LYS A 46 10.041 -1.981 -4.674 1.00 4.32 C ATOM 697 CD LYS A 46 8.634 -2.552 -4.571 1.00 5.11 C ATOM 698 CE LYS A 46 7.705 -1.935 -5.609 1.00 5.83 C ATOM 699 NZ LYS A 46 8.180 -2.163 -7.003 1.00 6.44 N ATOM 0 H LYS A 46 9.226 1.491 -1.941 1.00 1.63 H new ATOM 0 HA LYS A 46 9.325 -0.699 -2.354 1.00 2.41 H new ATOM 0 HB2 LYS A 46 9.187 -0.022 -4.772 1.00 3.41 H new ATOM 0 HB3 LYS A 46 10.938 -0.046 -4.843 1.00 3.41 H new ATOM 0 HG2 LYS A 46 10.425 -2.142 -5.681 1.00 4.32 H new ATOM 0 HG3 LYS A 46 10.701 -2.516 -3.991 1.00 4.32 H new ATOM 0 HD2 LYS A 46 8.668 -3.633 -4.708 1.00 5.11 H new ATOM 0 HD3 LYS A 46 8.238 -2.369 -3.572 1.00 5.11 H new ATOM 0 HE2 LYS A 46 6.706 -2.356 -5.495 1.00 5.83 H new ATOM 0 HE3 LYS A 46 7.622 -0.864 -5.427 1.00 5.83 H new ATOM 0 HZ1 LYS A 46 7.409 -1.958 -7.670 1.00 6.44 H new ATOM 0 HZ2 LYS A 46 8.986 -1.537 -7.202 1.00 6.44 H new ATOM 0 HZ3 LYS A 46 8.477 -3.154 -7.111 1.00 6.44 H new ATOM 713 N TRP A 47 12.567 -0.225 -2.890 1.00 2.40 N ATOM 714 CA TRP A 47 13.913 -0.509 -2.403 1.00 2.90 C ATOM 715 C TRP A 47 14.845 0.658 -2.722 1.00 3.16 C ATOM 716 O TRP A 47 16.045 0.607 -2.451 1.00 3.82 O ATOM 717 CB TRP A 47 14.456 -1.804 -3.026 1.00 3.59 C ATOM 718 CG TRP A 47 14.424 -1.825 -4.527 1.00 3.94 C ATOM 719 CD1 TRP A 47 13.436 -2.341 -5.314 1.00 4.43 C ATOM 720 CD2 TRP A 47 15.428 -1.323 -5.421 1.00 4.46 C ATOM 721 NE1 TRP A 47 13.754 -2.182 -6.638 1.00 5.12 N ATOM 722 CE2 TRP A 47 14.973 -1.561 -6.731 1.00 5.13 C ATOM 723 CE3 TRP A 47 16.664 -0.691 -5.241 1.00 4.85 C ATOM 724 CZ2 TRP A 47 15.711 -1.190 -7.853 1.00 6.00 C ATOM 725 CZ3 TRP A 47 17.394 -0.324 -6.356 1.00 5.76 C ATOM 726 CH2 TRP A 47 16.916 -0.574 -7.647 1.00 6.25 C ATOM 0 H TRP A 47 12.545 0.317 -3.754 1.00 2.40 H new ATOM 0 HA TRP A 47 13.866 -0.641 -1.322 1.00 2.90 H new ATOM 0 HB2 TRP A 47 15.484 -1.951 -2.694 1.00 3.59 H new ATOM 0 HB3 TRP A 47 13.876 -2.646 -2.649 1.00 3.59 H new ATOM 0 HD1 TRP A 47 12.534 -2.807 -4.947 1.00 4.43 H new ATOM 0 HE1 TRP A 47 13.178 -2.478 -7.426 1.00 5.12 H new ATOM 0 HE3 TRP A 47 17.041 -0.494 -4.248 1.00 4.85 H new ATOM 0 HZ2 TRP A 47 15.345 -1.382 -8.851 1.00 6.00 H new ATOM 0 HZ3 TRP A 47 18.349 0.164 -6.229 1.00 5.76 H new ATOM 0 HH2 TRP A 47 17.510 -0.275 -8.498 1.00 6.25 H new ATOM 737 N PHE A 48 14.276 1.717 -3.279 1.00 3.23 N ATOM 738 CA PHE A 48 15.056 2.835 -3.787 1.00 3.94 C ATOM 739 C PHE A 48 15.439 3.810 -2.673 1.00 3.98 C ATOM 740 O PHE A 48 14.593 4.534 -2.147 1.00 4.37 O ATOM 741 CB PHE A 48 14.260 3.563 -4.878 1.00 4.71 C ATOM 742 CG PHE A 48 15.002 4.694 -5.536 1.00 5.10 C ATOM 743 CD1 PHE A 48 16.074 4.438 -6.374 1.00 5.41 C ATOM 744 CD2 PHE A 48 14.634 6.011 -5.306 1.00 5.51 C ATOM 745 CE1 PHE A 48 16.767 5.473 -6.973 1.00 6.04 C ATOM 746 CE2 PHE A 48 15.324 7.051 -5.902 1.00 6.19 C ATOM 747 CZ PHE A 48 16.353 6.787 -6.768 1.00 6.43 C ATOM 0 H PHE A 48 13.268 1.825 -3.391 1.00 3.23 H new ATOM 0 HA PHE A 48 15.981 2.440 -4.208 1.00 3.94 H new ATOM 0 HB2 PHE A 48 13.970 2.842 -5.642 1.00 4.71 H new ATOM 0 HB3 PHE A 48 13.340 3.953 -4.441 1.00 4.71 H new ATOM 0 HD1 PHE A 48 16.372 3.417 -6.562 1.00 5.41 H new ATOM 0 HD2 PHE A 48 13.800 6.227 -4.655 1.00 5.51 H new ATOM 0 HE1 PHE A 48 17.624 5.264 -7.596 1.00 6.04 H new ATOM 0 HE2 PHE A 48 15.051 8.073 -5.685 1.00 6.19 H new ATOM 0 HZ PHE A 48 16.842 7.596 -7.290 1.00 6.43 H new ATOM 757 N PHE A 49 16.714 3.806 -2.312 1.00 4.01 N ATOM 758 CA PHE A 49 17.259 4.789 -1.383 1.00 4.29 C ATOM 759 C PHE A 49 17.903 5.918 -2.177 1.00 4.03 C ATOM 760 O PHE A 49 18.864 5.693 -2.913 1.00 4.43 O ATOM 761 CB PHE A 49 18.293 4.134 -0.456 1.00 5.23 C ATOM 762 CG PHE A 49 18.962 5.097 0.491 1.00 5.92 C ATOM 763 CD1 PHE A 49 18.366 5.431 1.693 1.00 6.27 C ATOM 764 CD2 PHE A 49 20.185 5.667 0.173 1.00 6.52 C ATOM 765 CE1 PHE A 49 18.976 6.316 2.564 1.00 7.24 C ATOM 766 CE2 PHE A 49 20.798 6.552 1.038 1.00 7.39 C ATOM 767 CZ PHE A 49 20.193 6.877 2.235 1.00 7.76 C ATOM 0 H PHE A 49 17.396 3.128 -2.651 1.00 4.01 H new ATOM 0 HA PHE A 49 16.455 5.189 -0.766 1.00 4.29 H new ATOM 0 HB2 PHE A 49 17.803 3.352 0.123 1.00 5.23 H new ATOM 0 HB3 PHE A 49 19.056 3.649 -1.065 1.00 5.23 H new ATOM 0 HD1 PHE A 49 17.413 4.996 1.955 1.00 6.27 H new ATOM 0 HD2 PHE A 49 20.664 5.416 -0.762 1.00 6.52 H new ATOM 0 HE1 PHE A 49 18.500 6.568 3.500 1.00 7.24 H new ATOM 0 HE2 PHE A 49 21.750 6.990 0.778 1.00 7.39 H new ATOM 0 HZ PHE A 49 20.671 7.569 2.913 1.00 7.76 H new ATOM 777 N ASP A 50 17.371 7.123 -2.052 1.00 3.84 N ATOM 778 CA ASP A 50 17.890 8.247 -2.818 1.00 4.03 C ATOM 779 C ASP A 50 18.782 9.143 -1.965 1.00 3.49 C ATOM 780 O ASP A 50 20.009 9.023 -2.004 1.00 3.96 O ATOM 781 CB ASP A 50 16.751 9.060 -3.431 1.00 4.77 C ATOM 782 CG ASP A 50 17.260 10.197 -4.292 1.00 5.24 C ATOM 783 OD1 ASP A 50 17.824 9.925 -5.374 1.00 5.68 O ATOM 784 OD2 ASP A 50 17.101 11.367 -3.893 1.00 5.52 O ATOM 0 H ASP A 50 16.590 7.348 -1.436 1.00 3.84 H new ATOM 0 HA ASP A 50 18.499 7.838 -3.624 1.00 4.03 H new ATOM 0 HB2 ASP A 50 16.122 8.404 -4.033 1.00 4.77 H new ATOM 0 HB3 ASP A 50 16.124 9.462 -2.635 1.00 4.77 H new ATOM 789 N SER A 51 18.174 10.027 -1.183 1.00 2.95 N ATOM 790 CA SER A 51 18.934 10.966 -0.369 1.00 2.87 C ATOM 791 C SER A 51 18.460 10.926 1.081 1.00 2.57 C ATOM 792 O SER A 51 19.125 10.355 1.947 1.00 3.12 O ATOM 793 CB SER A 51 18.802 12.384 -0.940 1.00 3.44 C ATOM 794 OG SER A 51 19.593 13.310 -0.215 1.00 4.15 O ATOM 0 H SER A 51 17.161 10.113 -1.096 1.00 2.95 H new ATOM 0 HA SER A 51 19.985 10.676 -0.391 1.00 2.87 H new ATOM 0 HB2 SER A 51 19.105 12.386 -1.987 1.00 3.44 H new ATOM 0 HB3 SER A 51 17.757 12.694 -0.910 1.00 3.44 H new ATOM 0 HG SER A 51 19.489 14.204 -0.604 1.00 4.15 H new ATOM 800 N SER A 52 17.311 11.535 1.336 1.00 2.29 N ATOM 801 CA SER A 52 16.714 11.520 2.660 1.00 2.37 C ATOM 802 C SER A 52 15.392 10.768 2.614 1.00 1.79 C ATOM 803 O SER A 52 15.049 10.018 3.529 1.00 2.13 O ATOM 804 CB SER A 52 16.497 12.955 3.151 1.00 3.06 C ATOM 805 OG SER A 52 15.987 12.988 4.475 1.00 3.81 O ATOM 0 H SER A 52 16.772 12.048 0.638 1.00 2.29 H new ATOM 0 HA SER A 52 17.384 11.014 3.355 1.00 2.37 H new ATOM 0 HB2 SER A 52 17.441 13.499 3.111 1.00 3.06 H new ATOM 0 HB3 SER A 52 15.805 13.467 2.482 1.00 3.06 H new ATOM 0 HG SER A 52 15.863 13.919 4.755 1.00 3.81 H new ATOM 811 N GLY A 53 14.657 10.976 1.534 1.00 1.40 N ATOM 812 CA GLY A 53 13.398 10.301 1.350 1.00 1.25 C ATOM 813 C GLY A 53 13.525 9.100 0.441 1.00 1.07 C ATOM 814 O GLY A 53 13.685 9.244 -0.773 1.00 1.28 O ATOM 0 H GLY A 53 14.916 11.608 0.776 1.00 1.40 H new ATOM 0 HA2 GLY A 53 13.013 9.983 2.319 1.00 1.25 H new ATOM 0 HA3 GLY A 53 12.672 10.997 0.931 1.00 1.25 H new ATOM 818 N GLY A 54 13.480 7.918 1.031 1.00 0.86 N ATOM 819 CA GLY A 54 13.479 6.694 0.257 1.00 0.86 C ATOM 820 C GLY A 54 14.365 5.640 0.882 1.00 0.91 C ATOM 821 O GLY A 54 15.485 5.935 1.291 1.00 1.55 O ATOM 0 H GLY A 54 13.444 7.782 2.041 1.00 0.86 H new ATOM 0 HA2 GLY A 54 12.461 6.314 0.178 1.00 0.86 H new ATOM 0 HA3 GLY A 54 13.821 6.903 -0.757 1.00 0.86 H new ATOM 825 N ASN A 55 13.852 4.419 0.964 1.00 0.89 N ATOM 826 CA ASN A 55 14.537 3.327 1.653 1.00 0.87 C ATOM 827 C ASN A 55 13.860 2.000 1.321 1.00 1.01 C ATOM 828 O ASN A 55 12.664 1.967 1.037 1.00 1.21 O ATOM 829 CB ASN A 55 14.536 3.591 3.170 1.00 0.83 C ATOM 830 CG ASN A 55 14.975 2.396 3.997 1.00 1.45 C ATOM 831 OD1 ASN A 55 14.150 1.594 4.432 1.00 2.39 O ATOM 832 ND2 ASN A 55 16.274 2.271 4.227 1.00 1.63 N ATOM 0 H ASN A 55 12.954 4.156 0.558 1.00 0.89 H new ATOM 0 HA ASN A 55 15.572 3.271 1.317 1.00 0.87 H new ATOM 0 HB2 ASN A 55 15.196 4.432 3.384 1.00 0.83 H new ATOM 0 HB3 ASN A 55 13.533 3.886 3.478 1.00 0.83 H new ATOM 0 HD21 ASN A 55 16.621 1.489 4.782 1.00 1.63 H new ATOM 0 HD22 ASN A 55 16.927 2.957 3.849 1.00 1.63 H new ATOM 839 N GLY A 56 14.626 0.914 1.338 1.00 1.23 N ATOM 840 CA GLY A 56 14.095 -0.390 0.968 1.00 1.44 C ATOM 841 C GLY A 56 13.282 -1.051 2.067 1.00 1.14 C ATOM 842 O GLY A 56 13.594 -2.164 2.490 1.00 1.07 O ATOM 0 H GLY A 56 15.611 0.912 1.603 1.00 1.23 H new ATOM 0 HA2 GLY A 56 13.470 -0.280 0.082 1.00 1.44 H new ATOM 0 HA3 GLY A 56 14.922 -1.046 0.695 1.00 1.44 H new ATOM 846 N HIS A 57 12.225 -0.379 2.505 1.00 1.06 N ATOM 847 CA HIS A 57 11.358 -0.901 3.562 1.00 0.77 C ATOM 848 C HIS A 57 10.645 -2.163 3.106 1.00 0.66 C ATOM 849 O HIS A 57 10.458 -3.098 3.883 1.00 0.55 O ATOM 850 CB HIS A 57 10.275 0.108 3.947 1.00 0.68 C ATOM 851 CG HIS A 57 10.733 1.512 4.162 1.00 0.72 C ATOM 852 ND1 HIS A 57 11.083 2.025 5.391 1.00 1.73 N ATOM 853 CD2 HIS A 57 10.862 2.533 3.277 1.00 0.82 C ATOM 854 CE1 HIS A 57 11.410 3.311 5.220 1.00 1.92 C ATOM 855 NE2 HIS A 57 11.292 3.656 3.957 1.00 1.19 N ATOM 0 H HIS A 57 11.944 0.533 2.145 1.00 1.06 H new ATOM 0 HA HIS A 57 12.005 -1.107 4.415 1.00 0.77 H new ATOM 0 HB2 HIS A 57 9.515 0.111 3.166 1.00 0.68 H new ATOM 0 HB3 HIS A 57 9.792 -0.239 4.860 1.00 0.68 H new ATOM 0 HD1 HIS A 57 11.091 1.515 6.274 1.00 1.73 H new ATOM 0 HD2 HIS A 57 10.662 2.477 2.217 1.00 0.82 H new ATOM 0 HE1 HIS A 57 11.727 3.974 6.011 1.00 1.92 H new ATOM 863 N ALA A 58 10.229 -2.170 1.843 1.00 0.78 N ATOM 864 CA ALA A 58 9.398 -3.241 1.315 1.00 0.75 C ATOM 865 C ALA A 58 10.074 -4.590 1.488 1.00 0.66 C ATOM 866 O ALA A 58 9.476 -5.518 2.028 1.00 0.54 O ATOM 867 CB ALA A 58 9.071 -2.989 -0.149 1.00 0.97 C ATOM 0 H ALA A 58 10.456 -1.442 1.166 1.00 0.78 H new ATOM 0 HA ALA A 58 8.466 -3.257 1.880 1.00 0.75 H new ATOM 0 HB1 ALA A 58 8.449 -3.800 -0.528 1.00 0.97 H new ATOM 0 HB2 ALA A 58 8.535 -2.045 -0.245 1.00 0.97 H new ATOM 0 HB3 ALA A 58 9.995 -2.941 -0.725 1.00 0.97 H new ATOM 873 N LEU A 59 11.330 -4.670 1.058 1.00 0.78 N ATOM 874 CA LEU A 59 12.114 -5.902 1.141 1.00 0.79 C ATOM 875 C LEU A 59 12.122 -6.417 2.570 1.00 0.66 C ATOM 876 O LEU A 59 11.858 -7.593 2.835 1.00 0.63 O ATOM 877 CB LEU A 59 13.551 -5.626 0.699 1.00 0.98 C ATOM 878 CG LEU A 59 13.690 -4.682 -0.495 1.00 1.75 C ATOM 879 CD1 LEU A 59 15.154 -4.391 -0.774 1.00 2.28 C ATOM 880 CD2 LEU A 59 13.017 -5.265 -1.730 1.00 2.31 C ATOM 0 H LEU A 59 11.833 -3.886 0.643 1.00 0.78 H new ATOM 0 HA LEU A 59 11.665 -6.651 0.489 1.00 0.79 H new ATOM 0 HB2 LEU A 59 14.100 -5.205 1.541 1.00 0.98 H new ATOM 0 HB3 LEU A 59 14.027 -6.574 0.450 1.00 0.98 H new ATOM 0 HG LEU A 59 13.191 -3.745 -0.248 1.00 1.75 H new ATOM 0 HD11 LEU A 59 15.235 -3.717 -1.627 1.00 2.28 H new ATOM 0 HD12 LEU A 59 15.605 -3.924 0.101 1.00 2.28 H new ATOM 0 HD13 LEU A 59 15.674 -5.323 -0.997 1.00 2.28 H new ATOM 0 HD21 LEU A 59 13.130 -4.575 -2.566 1.00 2.31 H new ATOM 0 HD22 LEU A 59 13.482 -6.218 -1.982 1.00 2.31 H new ATOM 0 HD23 LEU A 59 11.957 -5.420 -1.528 1.00 2.31 H new ATOM 892 N GLU A 60 12.416 -5.504 3.479 1.00 0.66 N ATOM 893 CA GLU A 60 12.443 -5.798 4.902 1.00 0.65 C ATOM 894 C GLU A 60 11.084 -6.307 5.380 1.00 0.51 C ATOM 895 O GLU A 60 10.999 -7.267 6.147 1.00 0.57 O ATOM 896 CB GLU A 60 12.851 -4.541 5.670 1.00 0.76 C ATOM 897 CG GLU A 60 14.206 -4.005 5.249 1.00 0.99 C ATOM 898 CD GLU A 60 15.289 -5.058 5.315 1.00 1.98 C ATOM 899 OE1 GLU A 60 15.924 -5.202 6.381 1.00 2.64 O ATOM 900 OE2 GLU A 60 15.510 -5.751 4.301 1.00 2.58 O ATOM 0 H GLU A 60 12.643 -4.536 3.251 1.00 0.66 H new ATOM 0 HA GLU A 60 13.173 -6.586 5.089 1.00 0.65 H new ATOM 0 HB2 GLU A 60 12.097 -3.768 5.518 1.00 0.76 H new ATOM 0 HB3 GLU A 60 12.870 -4.763 6.737 1.00 0.76 H new ATOM 0 HG2 GLU A 60 14.141 -3.618 4.232 1.00 0.99 H new ATOM 0 HG3 GLU A 60 14.478 -3.167 5.891 1.00 0.99 H new ATOM 907 N HIS A 61 10.023 -5.678 4.896 1.00 0.43 N ATOM 908 CA HIS A 61 8.667 -6.052 5.275 1.00 0.41 C ATOM 909 C HIS A 61 8.311 -7.444 4.753 1.00 0.38 C ATOM 910 O HIS A 61 7.555 -8.181 5.391 1.00 0.40 O ATOM 911 CB HIS A 61 7.665 -5.025 4.748 1.00 0.57 C ATOM 912 CG HIS A 61 6.256 -5.304 5.158 1.00 0.94 C ATOM 913 ND1 HIS A 61 5.798 -5.141 6.447 1.00 1.54 N ATOM 914 CD2 HIS A 61 5.201 -5.752 4.439 1.00 1.45 C ATOM 915 CE1 HIS A 61 4.523 -5.479 6.502 1.00 1.72 C ATOM 916 NE2 HIS A 61 4.136 -5.854 5.297 1.00 1.60 N ATOM 0 H HIS A 61 10.075 -4.902 4.236 1.00 0.43 H new ATOM 0 HA HIS A 61 8.618 -6.073 6.364 1.00 0.41 H new ATOM 0 HB2 HIS A 61 7.950 -4.035 5.104 1.00 0.57 H new ATOM 0 HB3 HIS A 61 7.720 -5.000 3.660 1.00 0.57 H new ATOM 0 HD1 HIS A 61 6.356 -4.811 7.235 1.00 1.54 H new ATOM 0 HD2 HIS A 61 5.198 -5.986 3.385 1.00 1.45 H new ATOM 0 HE1 HIS A 61 3.901 -5.453 7.385 1.00 1.72 H new ATOM 925 N TYR A 62 8.851 -7.797 3.596 1.00 0.44 N ATOM 926 CA TYR A 62 8.598 -9.107 3.008 1.00 0.54 C ATOM 927 C TYR A 62 9.338 -10.189 3.780 1.00 0.59 C ATOM 928 O TYR A 62 8.937 -11.353 3.775 1.00 0.67 O ATOM 929 CB TYR A 62 8.983 -9.126 1.525 1.00 0.69 C ATOM 930 CG TYR A 62 8.208 -8.120 0.704 1.00 0.97 C ATOM 931 CD1 TYR A 62 6.831 -8.011 0.821 1.00 1.08 C ATOM 932 CD2 TYR A 62 8.856 -7.294 -0.207 1.00 1.39 C ATOM 933 CE1 TYR A 62 6.119 -7.111 0.053 1.00 1.55 C ATOM 934 CE2 TYR A 62 8.151 -6.386 -0.975 1.00 1.89 C ATOM 935 CZ TYR A 62 6.787 -6.237 -0.768 1.00 1.97 C ATOM 936 OH TYR A 62 6.072 -5.399 -1.604 1.00 2.50 O ATOM 0 H TYR A 62 9.466 -7.197 3.046 1.00 0.44 H new ATOM 0 HA TYR A 62 7.530 -9.312 3.075 1.00 0.54 H new ATOM 0 HB2 TYR A 62 10.049 -8.922 1.429 1.00 0.69 H new ATOM 0 HB3 TYR A 62 8.812 -10.125 1.123 1.00 0.69 H new ATOM 0 HD1 TYR A 62 6.306 -8.640 1.525 1.00 1.08 H new ATOM 0 HD2 TYR A 62 9.928 -7.363 -0.317 1.00 1.39 H new ATOM 0 HE1 TYR A 62 5.040 -7.095 0.098 1.00 1.55 H new ATOM 0 HE2 TYR A 62 8.656 -5.799 -1.728 1.00 1.89 H new ATOM 0 HH TYR A 62 6.693 -4.842 -2.119 1.00 2.50 H new ATOM 946 N ARG A 63 10.422 -9.800 4.442 1.00 0.60 N ATOM 947 CA ARG A 63 11.121 -10.690 5.341 1.00 0.73 C ATOM 948 C ARG A 63 10.356 -10.828 6.659 1.00 0.75 C ATOM 949 O ARG A 63 10.203 -11.929 7.184 1.00 0.87 O ATOM 950 CB ARG A 63 12.527 -10.177 5.607 1.00 0.80 C ATOM 951 CG ARG A 63 13.264 -11.057 6.580 1.00 1.19 C ATOM 952 CD ARG A 63 14.665 -10.555 6.865 1.00 1.33 C ATOM 953 NE ARG A 63 15.302 -11.321 7.936 1.00 1.71 N ATOM 954 CZ ARG A 63 16.452 -10.992 8.521 1.00 2.01 C ATOM 955 NH1 ARG A 63 17.109 -9.899 8.154 1.00 1.88 N ATOM 956 NH2 ARG A 63 16.944 -11.762 9.484 1.00 2.76 N ATOM 0 H ARG A 63 10.832 -8.869 4.368 1.00 0.60 H new ATOM 0 HA ARG A 63 11.188 -11.671 4.870 1.00 0.73 H new ATOM 0 HB2 ARG A 63 13.080 -10.128 4.669 1.00 0.80 H new ATOM 0 HB3 ARG A 63 12.476 -9.162 6.001 1.00 0.80 H new ATOM 0 HG2 ARG A 63 12.703 -11.111 7.513 1.00 1.19 H new ATOM 0 HG3 ARG A 63 13.318 -12.070 6.181 1.00 1.19 H new ATOM 0 HD2 ARG A 63 15.268 -10.623 5.960 1.00 1.33 H new ATOM 0 HD3 ARG A 63 14.626 -9.502 7.143 1.00 1.33 H new ATOM 0 HE ARG A 63 14.832 -12.167 8.258 1.00 1.71 H new ATOM 0 HH11 ARG A 63 16.734 -9.302 7.417 1.00 1.88 H new ATOM 0 HH12 ARG A 63 17.989 -9.656 8.609 1.00 1.88 H new ATOM 0 HH21 ARG A 63 16.441 -12.601 9.773 1.00 2.76 H new ATOM 0 HH22 ARG A 63 17.825 -11.514 9.935 1.00 2.76 H new ATOM 970 N ASP A 64 9.879 -9.701 7.186 1.00 0.68 N ATOM 971 CA ASP A 64 9.173 -9.687 8.469 1.00 0.75 C ATOM 972 C ASP A 64 7.834 -10.402 8.397 1.00 0.75 C ATOM 973 O ASP A 64 7.599 -11.377 9.110 1.00 0.89 O ATOM 974 CB ASP A 64 8.914 -8.256 8.943 1.00 0.75 C ATOM 975 CG ASP A 64 10.117 -7.614 9.589 1.00 1.18 C ATOM 976 OD1 ASP A 64 10.579 -8.129 10.628 1.00 1.43 O ATOM 977 OD2 ASP A 64 10.591 -6.574 9.085 1.00 1.85 O ATOM 0 H ASP A 64 9.968 -8.785 6.745 1.00 0.68 H new ATOM 0 HA ASP A 64 9.824 -10.208 9.171 1.00 0.75 H new ATOM 0 HB2 ASP A 64 8.600 -7.650 8.093 1.00 0.75 H new ATOM 0 HB3 ASP A 64 8.088 -8.260 9.654 1.00 0.75 H new ATOM 982 N MET A 65 6.966 -9.915 7.526 1.00 0.63 N ATOM 983 CA MET A 65 5.587 -10.374 7.494 1.00 0.67 C ATOM 984 C MET A 65 5.317 -11.274 6.300 1.00 0.65 C ATOM 985 O MET A 65 4.492 -12.179 6.369 1.00 0.80 O ATOM 986 CB MET A 65 4.637 -9.179 7.474 1.00 0.68 C ATOM 987 CG MET A 65 4.660 -8.370 8.760 1.00 0.75 C ATOM 988 SD MET A 65 4.020 -9.291 10.172 1.00 1.35 S ATOM 989 CE MET A 65 4.160 -8.065 11.471 1.00 1.84 C ATOM 0 H MET A 65 7.191 -9.202 6.832 1.00 0.63 H new ATOM 0 HA MET A 65 5.414 -10.961 8.396 1.00 0.67 H new ATOM 0 HB2 MET A 65 4.900 -8.529 6.639 1.00 0.68 H new ATOM 0 HB3 MET A 65 3.622 -9.534 7.294 1.00 0.68 H new ATOM 0 HG2 MET A 65 5.683 -8.057 8.969 1.00 0.75 H new ATOM 0 HG3 MET A 65 4.070 -7.463 8.625 1.00 0.75 H new ATOM 0 HE1 MET A 65 3.801 -8.487 12.410 1.00 1.84 H new ATOM 0 HE2 MET A 65 5.203 -7.769 11.581 1.00 1.84 H new ATOM 0 HE3 MET A 65 3.561 -7.192 11.213 1.00 1.84 H new ATOM 999 N GLY A 66 6.007 -11.009 5.200 1.00 0.56 N ATOM 1000 CA GLY A 66 5.858 -11.836 4.016 1.00 0.64 C ATOM 1001 C GLY A 66 4.637 -11.478 3.190 1.00 0.70 C ATOM 1002 O GLY A 66 4.394 -12.088 2.152 1.00 1.36 O ATOM 0 H GLY A 66 6.667 -10.237 5.104 1.00 0.56 H new ATOM 0 HA2 GLY A 66 6.750 -11.738 3.397 1.00 0.64 H new ATOM 0 HA3 GLY A 66 5.792 -12.882 4.316 1.00 0.64 H new ATOM 1006 N TYR A 67 3.870 -10.493 3.649 1.00 0.55 N ATOM 1007 CA TYR A 67 2.672 -10.055 2.940 1.00 0.49 C ATOM 1008 C TYR A 67 3.050 -9.254 1.691 1.00 0.53 C ATOM 1009 O TYR A 67 3.564 -8.141 1.782 1.00 0.82 O ATOM 1010 CB TYR A 67 1.768 -9.248 3.880 1.00 0.64 C ATOM 1011 CG TYR A 67 1.158 -10.095 4.978 1.00 1.61 C ATOM 1012 CD1 TYR A 67 0.189 -11.050 4.684 1.00 2.31 C ATOM 1013 CD2 TYR A 67 1.550 -9.948 6.301 1.00 2.04 C ATOM 1014 CE1 TYR A 67 -0.372 -11.830 5.679 1.00 3.28 C ATOM 1015 CE2 TYR A 67 0.995 -10.725 7.301 1.00 2.98 C ATOM 1016 CZ TYR A 67 0.036 -11.664 6.986 1.00 3.57 C ATOM 1017 OH TYR A 67 -0.519 -12.437 7.982 1.00 4.55 O ATOM 0 H TYR A 67 4.058 -9.982 4.511 1.00 0.55 H new ATOM 0 HA TYR A 67 2.113 -10.930 2.609 1.00 0.49 H new ATOM 0 HB2 TYR A 67 2.347 -8.441 4.329 1.00 0.64 H new ATOM 0 HB3 TYR A 67 0.970 -8.784 3.300 1.00 0.64 H new ATOM 0 HD1 TYR A 67 -0.130 -11.184 3.661 1.00 2.31 H new ATOM 0 HD2 TYR A 67 2.301 -9.214 6.554 1.00 2.04 H new ATOM 0 HE1 TYR A 67 -1.125 -12.565 5.434 1.00 3.28 H new ATOM 0 HE2 TYR A 67 1.312 -10.597 8.326 1.00 2.98 H new ATOM 0 HH TYR A 67 -0.121 -12.195 8.844 1.00 4.55 H new ATOM 1027 N PRO A 68 2.794 -9.840 0.509 1.00 0.46 N ATOM 1028 CA PRO A 68 3.276 -9.345 -0.784 1.00 0.59 C ATOM 1029 C PRO A 68 2.354 -8.329 -1.461 1.00 0.49 C ATOM 1030 O PRO A 68 2.357 -8.222 -2.687 1.00 0.64 O ATOM 1031 CB PRO A 68 3.309 -10.620 -1.647 1.00 0.80 C ATOM 1032 CG PRO A 68 2.765 -11.726 -0.795 1.00 0.88 C ATOM 1033 CD PRO A 68 2.024 -11.067 0.329 1.00 0.59 C ATOM 0 HA PRO A 68 4.224 -8.822 -0.658 1.00 0.59 H new ATOM 0 HB2 PRO A 68 2.709 -10.494 -2.548 1.00 0.80 H new ATOM 0 HB3 PRO A 68 4.326 -10.844 -1.970 1.00 0.80 H new ATOM 0 HG2 PRO A 68 2.102 -12.371 -1.372 1.00 0.88 H new ATOM 0 HG3 PRO A 68 3.570 -12.355 -0.414 1.00 0.88 H new ATOM 0 HD2 PRO A 68 0.985 -10.864 0.071 1.00 0.59 H new ATOM 0 HD3 PRO A 68 2.015 -11.681 1.230 1.00 0.59 H new ATOM 1041 N LEU A 69 1.582 -7.581 -0.691 1.00 0.34 N ATOM 1042 CA LEU A 69 0.572 -6.707 -1.282 1.00 0.28 C ATOM 1043 C LEU A 69 0.586 -5.318 -0.658 1.00 0.24 C ATOM 1044 O LEU A 69 0.470 -5.174 0.563 1.00 0.27 O ATOM 1045 CB LEU A 69 -0.812 -7.334 -1.119 1.00 0.34 C ATOM 1046 CG LEU A 69 -1.005 -8.672 -1.830 1.00 0.43 C ATOM 1047 CD1 LEU A 69 -2.148 -9.439 -1.199 1.00 0.61 C ATOM 1048 CD2 LEU A 69 -1.254 -8.457 -3.314 1.00 0.43 C ATOM 0 H LEU A 69 1.630 -7.557 0.328 1.00 0.34 H new ATOM 0 HA LEU A 69 0.808 -6.596 -2.340 1.00 0.28 H new ATOM 0 HB2 LEU A 69 -1.008 -7.474 -0.056 1.00 0.34 H new ATOM 0 HB3 LEU A 69 -1.558 -6.632 -1.491 1.00 0.34 H new ATOM 0 HG LEU A 69 -0.093 -9.260 -1.722 1.00 0.43 H new ATOM 0 HD11 LEU A 69 -2.276 -10.391 -1.714 1.00 0.61 H new ATOM 0 HD12 LEU A 69 -1.926 -9.622 -0.148 1.00 0.61 H new ATOM 0 HD13 LEU A 69 -3.066 -8.856 -1.280 1.00 0.61 H new ATOM 0 HD21 LEU A 69 -1.389 -9.421 -3.804 1.00 0.43 H new ATOM 0 HD22 LEU A 69 -2.151 -7.853 -3.449 1.00 0.43 H new ATOM 0 HD23 LEU A 69 -0.400 -7.942 -3.755 1.00 0.43 H new ATOM 1060 N ALA A 70 0.707 -4.296 -1.501 1.00 0.22 N ATOM 1061 CA ALA A 70 0.719 -2.919 -1.029 1.00 0.24 C ATOM 1062 C ALA A 70 0.099 -1.971 -2.057 1.00 0.27 C ATOM 1063 O ALA A 70 0.215 -2.184 -3.265 1.00 0.32 O ATOM 1064 CB ALA A 70 2.141 -2.491 -0.692 1.00 0.27 C ATOM 0 H ALA A 70 0.798 -4.397 -2.512 1.00 0.22 H new ATOM 0 HA ALA A 70 0.112 -2.866 -0.125 1.00 0.24 H new ATOM 0 HB1 ALA A 70 2.137 -1.459 -0.340 1.00 0.27 H new ATOM 0 HB2 ALA A 70 2.541 -3.139 0.088 1.00 0.27 H new ATOM 0 HB3 ALA A 70 2.765 -2.568 -1.582 1.00 0.27 H new ATOM 1070 N VAL A 71 -0.572 -0.937 -1.563 1.00 0.26 N ATOM 1071 CA VAL A 71 -1.194 0.071 -2.415 1.00 0.29 C ATOM 1072 C VAL A 71 -0.236 1.230 -2.653 1.00 0.30 C ATOM 1073 O VAL A 71 0.220 1.857 -1.700 1.00 0.29 O ATOM 1074 CB VAL A 71 -2.493 0.630 -1.780 1.00 0.31 C ATOM 1075 CG1 VAL A 71 -3.096 1.715 -2.661 1.00 0.36 C ATOM 1076 CG2 VAL A 71 -3.504 -0.483 -1.550 1.00 0.32 C ATOM 0 H VAL A 71 -0.700 -0.773 -0.564 1.00 0.26 H new ATOM 0 HA VAL A 71 -1.439 -0.415 -3.359 1.00 0.29 H new ATOM 0 HB VAL A 71 -2.236 1.067 -0.815 1.00 0.31 H new ATOM 0 HG11 VAL A 71 -4.007 2.095 -2.198 1.00 0.36 H new ATOM 0 HG12 VAL A 71 -2.381 2.529 -2.776 1.00 0.36 H new ATOM 0 HG13 VAL A 71 -3.333 1.299 -3.640 1.00 0.36 H new ATOM 0 HG21 VAL A 71 -4.407 -0.067 -1.104 1.00 0.32 H new ATOM 0 HG22 VAL A 71 -3.752 -0.952 -2.502 1.00 0.32 H new ATOM 0 HG23 VAL A 71 -3.078 -1.229 -0.879 1.00 0.32 H new ATOM 1086 N LYS A 72 0.073 1.514 -3.912 1.00 0.33 N ATOM 1087 CA LYS A 72 0.899 2.664 -4.231 1.00 0.36 C ATOM 1088 C LYS A 72 0.095 3.934 -4.008 1.00 0.37 C ATOM 1089 O LYS A 72 -0.811 4.263 -4.775 1.00 0.42 O ATOM 1090 CB LYS A 72 1.403 2.610 -5.671 1.00 0.43 C ATOM 1091 CG LYS A 72 2.382 3.723 -5.999 1.00 0.50 C ATOM 1092 CD LYS A 72 2.667 3.797 -7.487 1.00 0.89 C ATOM 1093 CE LYS A 72 3.634 4.921 -7.806 1.00 0.91 C ATOM 1094 NZ LYS A 72 3.827 5.081 -9.270 1.00 1.54 N ATOM 0 H LYS A 72 -0.233 0.969 -4.718 1.00 0.33 H new ATOM 0 HA LYS A 72 1.771 2.655 -3.577 1.00 0.36 H new ATOM 0 HB2 LYS A 72 1.884 1.648 -5.846 1.00 0.43 H new ATOM 0 HB3 LYS A 72 0.553 2.670 -6.350 1.00 0.43 H new ATOM 0 HG2 LYS A 72 1.978 4.676 -5.658 1.00 0.50 H new ATOM 0 HG3 LYS A 72 3.314 3.560 -5.457 1.00 0.50 H new ATOM 0 HD2 LYS A 72 3.083 2.849 -7.828 1.00 0.89 H new ATOM 0 HD3 LYS A 72 1.735 3.950 -8.031 1.00 0.89 H new ATOM 0 HE2 LYS A 72 3.260 5.854 -7.384 1.00 0.91 H new ATOM 0 HE3 LYS A 72 4.595 4.720 -7.332 1.00 0.91 H new ATOM 0 HZ1 LYS A 72 4.494 5.858 -9.449 1.00 1.54 H new ATOM 0 HZ2 LYS A 72 4.208 4.199 -9.668 1.00 1.54 H new ATOM 0 HZ3 LYS A 72 2.914 5.298 -9.719 1.00 1.54 H new ATOM 1108 N LEU A 73 0.429 4.640 -2.950 1.00 0.33 N ATOM 1109 CA LEU A 73 -0.328 5.797 -2.525 1.00 0.33 C ATOM 1110 C LEU A 73 -0.076 6.984 -3.438 1.00 0.35 C ATOM 1111 O LEU A 73 0.913 7.023 -4.167 1.00 0.38 O ATOM 1112 CB LEU A 73 0.041 6.120 -1.088 1.00 0.32 C ATOM 1113 CG LEU A 73 -0.086 4.926 -0.146 1.00 0.32 C ATOM 1114 CD1 LEU A 73 0.632 5.186 1.156 1.00 0.31 C ATOM 1115 CD2 LEU A 73 -1.550 4.612 0.108 1.00 0.35 C ATOM 0 H LEU A 73 1.233 4.428 -2.360 1.00 0.33 H new ATOM 0 HA LEU A 73 -1.393 5.575 -2.584 1.00 0.33 H new ATOM 0 HB2 LEU A 73 1.066 6.489 -1.058 1.00 0.32 H new ATOM 0 HB3 LEU A 73 -0.599 6.926 -0.729 1.00 0.32 H new ATOM 0 HG LEU A 73 0.381 4.064 -0.622 1.00 0.32 H new ATOM 0 HD11 LEU A 73 0.526 4.320 1.809 1.00 0.31 H new ATOM 0 HD12 LEU A 73 1.689 5.365 0.959 1.00 0.31 H new ATOM 0 HD13 LEU A 73 0.200 6.061 1.641 1.00 0.31 H new ATOM 0 HD21 LEU A 73 -1.628 3.758 0.781 1.00 0.35 H new ATOM 0 HD22 LEU A 73 -2.034 5.477 0.561 1.00 0.35 H new ATOM 0 HD23 LEU A 73 -2.040 4.375 -0.836 1.00 0.35 H new ATOM 1127 N GLY A 74 -0.987 7.939 -3.405 1.00 0.37 N ATOM 1128 CA GLY A 74 -0.897 9.084 -4.290 1.00 0.41 C ATOM 1129 C GLY A 74 -1.620 8.853 -5.603 1.00 0.43 C ATOM 1130 O GLY A 74 -2.030 9.800 -6.265 1.00 0.49 O ATOM 0 H GLY A 74 -1.792 7.945 -2.779 1.00 0.37 H new ATOM 0 HA2 GLY A 74 -1.319 9.958 -3.794 1.00 0.41 H new ATOM 0 HA3 GLY A 74 0.152 9.305 -4.489 1.00 0.41 H new ATOM 1134 N THR A 75 -1.797 7.590 -5.972 1.00 0.43 N ATOM 1135 CA THR A 75 -2.442 7.248 -7.234 1.00 0.47 C ATOM 1136 C THR A 75 -3.915 6.955 -7.005 1.00 0.43 C ATOM 1137 O THR A 75 -4.667 6.660 -7.935 1.00 0.43 O ATOM 1138 CB THR A 75 -1.783 6.016 -7.887 1.00 0.50 C ATOM 1139 OG1 THR A 75 -1.991 4.854 -7.068 1.00 0.44 O ATOM 1140 CG2 THR A 75 -0.293 6.247 -8.084 1.00 0.62 C ATOM 0 H THR A 75 -1.503 6.787 -5.416 1.00 0.43 H new ATOM 0 HA THR A 75 -2.329 8.102 -7.902 1.00 0.47 H new ATOM 0 HB THR A 75 -2.243 5.856 -8.862 1.00 0.50 H new ATOM 0 HG1 THR A 75 -1.609 5.008 -6.179 1.00 0.44 H new ATOM 0 HG21 THR A 75 0.154 5.367 -8.546 1.00 0.62 H new ATOM 0 HG22 THR A 75 -0.141 7.112 -8.730 1.00 0.62 H new ATOM 0 HG23 THR A 75 0.178 6.428 -7.118 1.00 0.62 H new ATOM 1148 N ILE A 76 -4.311 7.048 -5.748 1.00 0.44 N ATOM 1149 CA ILE A 76 -5.656 6.712 -5.330 1.00 0.43 C ATOM 1150 C ILE A 76 -6.659 7.719 -5.864 1.00 0.46 C ATOM 1151 O ILE A 76 -6.537 8.921 -5.640 1.00 0.53 O ATOM 1152 CB ILE A 76 -5.737 6.634 -3.795 1.00 0.45 C ATOM 1153 CG1 ILE A 76 -4.795 5.543 -3.292 1.00 0.45 C ATOM 1154 CG2 ILE A 76 -7.165 6.365 -3.337 1.00 0.49 C ATOM 1155 CD1 ILE A 76 -4.171 5.864 -1.962 1.00 0.47 C ATOM 0 H ILE A 76 -3.706 7.360 -4.988 1.00 0.44 H new ATOM 0 HA ILE A 76 -5.906 5.735 -5.743 1.00 0.43 H new ATOM 0 HB ILE A 76 -5.432 7.593 -3.376 1.00 0.45 H new ATOM 0 HG12 ILE A 76 -5.346 4.606 -3.211 1.00 0.45 H new ATOM 0 HG13 ILE A 76 -4.006 5.386 -4.028 1.00 0.45 H new ATOM 0 HG21 ILE A 76 -7.195 6.315 -2.249 1.00 0.49 H new ATOM 0 HG22 ILE A 76 -7.815 7.170 -3.681 1.00 0.49 H new ATOM 0 HG23 ILE A 76 -7.508 5.418 -3.754 1.00 0.49 H new ATOM 0 HD11 ILE A 76 -3.513 5.048 -1.662 1.00 0.47 H new ATOM 0 HD12 ILE A 76 -3.593 6.785 -2.044 1.00 0.47 H new ATOM 0 HD13 ILE A 76 -4.954 5.992 -1.214 1.00 0.47 H new ATOM 1167 N THR A 77 -7.630 7.209 -6.594 1.00 0.45 N ATOM 1168 CA THR A 77 -8.669 8.028 -7.181 1.00 0.50 C ATOM 1169 C THR A 77 -10.036 7.483 -6.797 1.00 0.56 C ATOM 1170 O THR A 77 -10.121 6.404 -6.214 1.00 0.62 O ATOM 1171 CB THR A 77 -8.540 8.070 -8.720 1.00 0.51 C ATOM 1172 OG1 THR A 77 -8.421 6.739 -9.242 1.00 1.48 O ATOM 1173 CG2 THR A 77 -7.335 8.891 -9.136 1.00 1.27 C ATOM 0 H THR A 77 -7.720 6.213 -6.797 1.00 0.45 H new ATOM 0 HA THR A 77 -8.559 9.043 -6.799 1.00 0.50 H new ATOM 0 HB THR A 77 -9.438 8.537 -9.125 1.00 0.51 H new ATOM 0 HG1 THR A 77 -7.726 6.255 -8.749 1.00 1.48 H new ATOM 0 HG21 THR A 77 -7.264 8.907 -10.224 1.00 1.27 H new ATOM 0 HG22 THR A 77 -7.443 9.910 -8.764 1.00 1.27 H new ATOM 0 HG23 THR A 77 -6.431 8.447 -8.720 1.00 1.27 H new ATOM 1181 N PRO A 78 -11.120 8.215 -7.098 1.00 0.65 N ATOM 1182 CA PRO A 78 -12.483 7.718 -6.890 1.00 0.73 C ATOM 1183 C PRO A 78 -12.751 6.420 -7.659 1.00 0.75 C ATOM 1184 O PRO A 78 -13.707 5.702 -7.370 1.00 0.98 O ATOM 1185 CB PRO A 78 -13.369 8.846 -7.426 1.00 0.88 C ATOM 1186 CG PRO A 78 -12.511 10.064 -7.396 1.00 1.04 C ATOM 1187 CD PRO A 78 -11.105 9.591 -7.625 1.00 0.74 C ATOM 0 HA PRO A 78 -12.669 7.477 -5.843 1.00 0.73 H new ATOM 0 HB2 PRO A 78 -13.712 8.631 -8.438 1.00 0.88 H new ATOM 0 HB3 PRO A 78 -14.258 8.975 -6.809 1.00 0.88 H new ATOM 0 HG2 PRO A 78 -12.814 10.773 -8.167 1.00 1.04 H new ATOM 0 HG3 PRO A 78 -12.598 10.578 -6.439 1.00 1.04 H new ATOM 0 HD2 PRO A 78 -10.840 9.614 -8.682 1.00 0.74 H new ATOM 0 HD3 PRO A 78 -10.380 10.215 -7.101 1.00 0.74 H new ATOM 1195 N ASP A 79 -11.901 6.131 -8.642 1.00 0.72 N ATOM 1196 CA ASP A 79 -12.029 4.915 -9.435 1.00 0.80 C ATOM 1197 C ASP A 79 -11.207 3.780 -8.836 1.00 0.73 C ATOM 1198 O ASP A 79 -11.712 2.674 -8.635 1.00 0.85 O ATOM 1199 CB ASP A 79 -11.583 5.161 -10.877 1.00 0.90 C ATOM 1200 CG ASP A 79 -11.745 3.929 -11.747 1.00 1.35 C ATOM 1201 OD1 ASP A 79 -12.901 3.548 -12.036 1.00 2.05 O ATOM 1202 OD2 ASP A 79 -10.720 3.332 -12.140 1.00 1.64 O ATOM 0 H ASP A 79 -11.115 6.725 -8.907 1.00 0.72 H new ATOM 0 HA ASP A 79 -13.081 4.628 -9.428 1.00 0.80 H new ATOM 0 HB2 ASP A 79 -12.164 5.981 -11.300 1.00 0.90 H new ATOM 0 HB3 ASP A 79 -10.539 5.473 -10.884 1.00 0.90 H new ATOM 1207 N GLY A 80 -9.938 4.057 -8.562 1.00 0.60 N ATOM 1208 CA GLY A 80 -9.063 3.045 -8.001 1.00 0.62 C ATOM 1209 C GLY A 80 -7.654 3.557 -7.791 1.00 0.52 C ATOM 1210 O GLY A 80 -7.419 4.766 -7.816 1.00 0.65 O ATOM 0 H GLY A 80 -9.499 4.964 -8.718 1.00 0.60 H new ATOM 0 HA2 GLY A 80 -9.469 2.704 -7.049 1.00 0.62 H new ATOM 0 HA3 GLY A 80 -9.038 2.181 -8.665 1.00 0.62 H new ATOM 1214 N ALA A 81 -6.714 2.644 -7.580 1.00 0.42 N ATOM 1215 CA ALA A 81 -5.319 3.010 -7.369 1.00 0.38 C ATOM 1216 C ALA A 81 -4.393 1.935 -7.908 1.00 0.34 C ATOM 1217 O ALA A 81 -4.831 0.828 -8.235 1.00 0.35 O ATOM 1218 CB ALA A 81 -5.051 3.226 -5.891 1.00 0.50 C ATOM 0 H ALA A 81 -6.894 1.640 -7.550 1.00 0.42 H new ATOM 0 HA ALA A 81 -5.126 3.938 -7.907 1.00 0.38 H new ATOM 0 HB1 ALA A 81 -4.006 3.499 -5.747 1.00 0.50 H new ATOM 0 HB2 ALA A 81 -5.690 4.027 -5.519 1.00 0.50 H new ATOM 0 HB3 ALA A 81 -5.265 2.308 -5.344 1.00 0.50 H new ATOM 1224 N ASP A 82 -3.114 2.266 -7.994 1.00 0.34 N ATOM 1225 CA ASP A 82 -2.109 1.325 -8.468 1.00 0.34 C ATOM 1226 C ASP A 82 -1.680 0.397 -7.342 1.00 0.33 C ATOM 1227 O ASP A 82 -0.895 0.775 -6.474 1.00 0.53 O ATOM 1228 CB ASP A 82 -0.878 2.055 -9.024 1.00 0.45 C ATOM 1229 CG ASP A 82 -1.128 2.717 -10.364 1.00 0.92 C ATOM 1230 OD1 ASP A 82 -1.093 2.016 -11.397 1.00 1.25 O ATOM 1231 OD2 ASP A 82 -1.382 3.940 -10.390 1.00 1.77 O ATOM 0 H ASP A 82 -2.746 3.183 -7.741 1.00 0.34 H new ATOM 0 HA ASP A 82 -2.558 0.741 -9.271 1.00 0.34 H new ATOM 0 HB2 ASP A 82 -0.558 2.811 -8.307 1.00 0.45 H new ATOM 0 HB3 ASP A 82 -0.058 1.344 -9.125 1.00 0.45 H new ATOM 1236 N VAL A 83 -2.211 -0.811 -7.347 1.00 0.34 N ATOM 1237 CA VAL A 83 -1.829 -1.808 -6.363 1.00 0.41 C ATOM 1238 C VAL A 83 -0.609 -2.562 -6.869 1.00 0.40 C ATOM 1239 O VAL A 83 -0.461 -2.762 -8.070 1.00 0.43 O ATOM 1240 CB VAL A 83 -2.972 -2.811 -6.095 1.00 0.54 C ATOM 1241 CG1 VAL A 83 -2.673 -3.669 -4.874 1.00 0.88 C ATOM 1242 CG2 VAL A 83 -4.295 -2.082 -5.935 1.00 0.70 C ATOM 0 H VAL A 83 -2.908 -1.126 -8.021 1.00 0.34 H new ATOM 0 HA VAL A 83 -1.604 -1.295 -5.428 1.00 0.41 H new ATOM 0 HB VAL A 83 -3.049 -3.475 -6.956 1.00 0.54 H new ATOM 0 HG11 VAL A 83 -3.495 -4.366 -4.709 1.00 0.88 H new ATOM 0 HG12 VAL A 83 -1.751 -4.227 -5.038 1.00 0.88 H new ATOM 0 HG13 VAL A 83 -2.559 -3.029 -3.999 1.00 0.88 H new ATOM 0 HG21 VAL A 83 -5.089 -2.805 -5.747 1.00 0.70 H new ATOM 0 HG22 VAL A 83 -4.229 -1.389 -5.096 1.00 0.70 H new ATOM 0 HG23 VAL A 83 -4.518 -1.528 -6.847 1.00 0.70 H new ATOM 1252 N TYR A 84 0.276 -2.958 -5.973 1.00 0.41 N ATOM 1253 CA TYR A 84 1.455 -3.709 -6.370 1.00 0.42 C ATOM 1254 C TYR A 84 1.573 -5.003 -5.584 1.00 0.42 C ATOM 1255 O TYR A 84 1.498 -5.011 -4.354 1.00 0.44 O ATOM 1256 CB TYR A 84 2.722 -2.870 -6.197 1.00 0.48 C ATOM 1257 CG TYR A 84 2.911 -1.825 -7.275 1.00 0.82 C ATOM 1258 CD1 TYR A 84 2.202 -0.632 -7.249 1.00 1.24 C ATOM 1259 CD2 TYR A 84 3.805 -2.032 -8.319 1.00 1.74 C ATOM 1260 CE1 TYR A 84 2.379 0.322 -8.230 1.00 1.81 C ATOM 1261 CE2 TYR A 84 3.985 -1.081 -9.303 1.00 2.45 C ATOM 1262 CZ TYR A 84 3.271 0.093 -9.253 1.00 2.31 C ATOM 1263 OH TYR A 84 3.454 1.049 -10.225 1.00 3.09 O ATOM 0 H TYR A 84 0.203 -2.774 -4.972 1.00 0.41 H new ATOM 0 HA TYR A 84 1.344 -3.958 -7.425 1.00 0.42 H new ATOM 0 HB2 TYR A 84 2.690 -2.376 -5.226 1.00 0.48 H new ATOM 0 HB3 TYR A 84 3.588 -3.532 -6.190 1.00 0.48 H new ATOM 0 HD1 TYR A 84 1.501 -0.448 -6.448 1.00 1.24 H new ATOM 0 HD2 TYR A 84 4.368 -2.953 -8.361 1.00 1.74 H new ATOM 0 HE1 TYR A 84 1.820 1.245 -8.195 1.00 1.81 H new ATOM 0 HE2 TYR A 84 4.683 -1.258 -10.108 1.00 2.45 H new ATOM 0 HH TYR A 84 4.118 0.733 -10.873 1.00 3.09 H new ATOM 1273 N SER A 85 1.742 -6.091 -6.314 1.00 0.43 N ATOM 1274 CA SER A 85 1.956 -7.397 -5.726 1.00 0.45 C ATOM 1275 C SER A 85 3.405 -7.794 -5.941 1.00 0.47 C ATOM 1276 O SER A 85 3.850 -7.913 -7.077 1.00 0.59 O ATOM 1277 CB SER A 85 1.022 -8.419 -6.378 1.00 0.51 C ATOM 1278 OG SER A 85 1.229 -9.729 -5.867 1.00 1.41 O ATOM 0 H SER A 85 1.734 -6.091 -7.334 1.00 0.43 H new ATOM 0 HA SER A 85 1.740 -7.367 -4.658 1.00 0.45 H new ATOM 0 HB2 SER A 85 -0.014 -8.123 -6.210 1.00 0.51 H new ATOM 0 HB3 SER A 85 1.182 -8.421 -7.456 1.00 0.51 H new ATOM 0 HG SER A 85 0.369 -10.117 -5.603 1.00 1.41 H new ATOM 1284 N PHE A 86 4.143 -7.983 -4.859 1.00 0.47 N ATOM 1285 CA PHE A 86 5.561 -8.303 -4.963 1.00 0.54 C ATOM 1286 C PHE A 86 5.761 -9.784 -5.256 1.00 0.57 C ATOM 1287 O PHE A 86 6.831 -10.204 -5.697 1.00 0.70 O ATOM 1288 CB PHE A 86 6.300 -7.916 -3.685 1.00 0.60 C ATOM 1289 CG PHE A 86 7.792 -7.894 -3.843 1.00 1.16 C ATOM 1290 CD1 PHE A 86 8.423 -6.852 -4.501 1.00 1.30 C ATOM 1291 CD2 PHE A 86 8.560 -8.923 -3.330 1.00 2.19 C ATOM 1292 CE1 PHE A 86 9.796 -6.838 -4.643 1.00 2.20 C ATOM 1293 CE2 PHE A 86 9.934 -8.916 -3.469 1.00 3.16 C ATOM 1294 CZ PHE A 86 10.550 -7.835 -4.141 1.00 3.10 C ATOM 0 H PHE A 86 3.789 -7.921 -3.904 1.00 0.47 H new ATOM 0 HA PHE A 86 5.974 -7.726 -5.791 1.00 0.54 H new ATOM 0 HB2 PHE A 86 5.962 -6.931 -3.362 1.00 0.60 H new ATOM 0 HB3 PHE A 86 6.036 -8.619 -2.895 1.00 0.60 H new ATOM 0 HD1 PHE A 86 7.835 -6.042 -4.907 1.00 1.30 H new ATOM 0 HD2 PHE A 86 8.080 -9.742 -2.815 1.00 2.19 H new ATOM 0 HE1 PHE A 86 10.271 -6.019 -5.162 1.00 2.20 H new ATOM 0 HE2 PHE A 86 10.529 -9.724 -3.070 1.00 3.16 H new ATOM 0 HZ PHE A 86 11.624 -7.809 -4.252 1.00 3.10 H new ATOM 1304 N GLN A 87 4.726 -10.571 -5.012 1.00 0.56 N ATOM 1305 CA GLN A 87 4.769 -11.993 -5.318 1.00 0.67 C ATOM 1306 C GLN A 87 4.665 -12.195 -6.826 1.00 0.72 C ATOM 1307 O GLN A 87 5.273 -13.104 -7.393 1.00 0.84 O ATOM 1308 CB GLN A 87 3.636 -12.733 -4.602 1.00 0.75 C ATOM 1309 CG GLN A 87 3.632 -14.232 -4.863 1.00 0.93 C ATOM 1310 CD GLN A 87 2.478 -14.944 -4.194 1.00 1.56 C ATOM 1311 OE1 GLN A 87 1.392 -15.056 -4.760 1.00 2.36 O ATOM 1312 NE2 GLN A 87 2.712 -15.450 -2.997 1.00 2.08 N ATOM 0 H GLN A 87 3.848 -10.251 -4.604 1.00 0.56 H new ATOM 0 HA GLN A 87 5.716 -12.402 -4.966 1.00 0.67 H new ATOM 0 HB2 GLN A 87 3.720 -12.559 -3.529 1.00 0.75 H new ATOM 0 HB3 GLN A 87 2.681 -12.314 -4.919 1.00 0.75 H new ATOM 0 HG2 GLN A 87 3.587 -14.408 -5.938 1.00 0.93 H new ATOM 0 HG3 GLN A 87 4.570 -14.660 -4.509 1.00 0.93 H new ATOM 0 HE21 GLN A 87 3.628 -15.333 -2.564 1.00 2.08 H new ATOM 0 HE22 GLN A 87 1.976 -15.957 -2.505 1.00 2.08 H new ATOM 1321 N GLU A 88 3.896 -11.325 -7.465 1.00 0.68 N ATOM 1322 CA GLU A 88 3.738 -11.350 -8.911 1.00 0.75 C ATOM 1323 C GLU A 88 4.701 -10.360 -9.563 1.00 0.70 C ATOM 1324 O GLU A 88 4.956 -10.413 -10.764 1.00 0.78 O ATOM 1325 CB GLU A 88 2.291 -11.018 -9.267 1.00 0.80 C ATOM 1326 CG GLU A 88 1.297 -12.009 -8.679 1.00 1.08 C ATOM 1327 CD GLU A 88 -0.124 -11.486 -8.657 1.00 1.56 C ATOM 1328 OE1 GLU A 88 -0.829 -11.609 -9.683 1.00 2.02 O ATOM 1329 OE2 GLU A 88 -0.551 -10.965 -7.605 1.00 2.25 O ATOM 0 H GLU A 88 3.368 -10.587 -6.999 1.00 0.68 H new ATOM 0 HA GLU A 88 3.973 -12.346 -9.287 1.00 0.75 H new ATOM 0 HB2 GLU A 88 2.054 -10.016 -8.908 1.00 0.80 H new ATOM 0 HB3 GLU A 88 2.183 -11.002 -10.352 1.00 0.80 H new ATOM 0 HG2 GLU A 88 1.329 -12.932 -9.258 1.00 1.08 H new ATOM 0 HG3 GLU A 88 1.601 -12.259 -7.663 1.00 1.08 H new ATOM 1336 N GLU A 89 5.224 -9.460 -8.728 1.00 0.62 N ATOM 1337 CA GLU A 89 6.204 -8.444 -9.119 1.00 0.65 C ATOM 1338 C GLU A 89 5.642 -7.513 -10.197 1.00 0.62 C ATOM 1339 O GLU A 89 6.387 -6.931 -10.983 1.00 0.78 O ATOM 1340 CB GLU A 89 7.516 -9.092 -9.586 1.00 0.80 C ATOM 1341 CG GLU A 89 8.716 -8.159 -9.484 1.00 1.48 C ATOM 1342 CD GLU A 89 9.999 -8.778 -10.000 1.00 1.67 C ATOM 1343 OE1 GLU A 89 10.657 -9.519 -9.240 1.00 2.29 O ATOM 1344 OE2 GLU A 89 10.364 -8.513 -11.165 1.00 1.55 O ATOM 0 H GLU A 89 4.973 -9.416 -7.740 1.00 0.62 H new ATOM 0 HA GLU A 89 6.420 -7.840 -8.238 1.00 0.65 H new ATOM 0 HB2 GLU A 89 7.706 -9.984 -8.989 1.00 0.80 H new ATOM 0 HB3 GLU A 89 7.405 -9.418 -10.620 1.00 0.80 H new ATOM 0 HG2 GLU A 89 8.508 -7.248 -10.045 1.00 1.48 H new ATOM 0 HG3 GLU A 89 8.854 -7.868 -8.443 1.00 1.48 H new ATOM 1351 N GLU A 90 4.324 -7.365 -10.216 1.00 0.49 N ATOM 1352 CA GLU A 90 3.660 -6.509 -11.188 1.00 0.53 C ATOM 1353 C GLU A 90 2.554 -5.701 -10.523 1.00 0.45 C ATOM 1354 O GLU A 90 2.057 -6.075 -9.458 1.00 0.44 O ATOM 1355 CB GLU A 90 3.065 -7.348 -12.323 1.00 0.67 C ATOM 1356 CG GLU A 90 4.104 -8.074 -13.157 1.00 1.26 C ATOM 1357 CD GLU A 90 3.506 -8.717 -14.388 1.00 1.72 C ATOM 1358 OE1 GLU A 90 3.364 -8.021 -15.415 1.00 2.05 O ATOM 1359 OE2 GLU A 90 3.177 -9.921 -14.343 1.00 2.10 O ATOM 0 H GLU A 90 3.691 -7.830 -9.565 1.00 0.49 H new ATOM 0 HA GLU A 90 4.404 -5.826 -11.598 1.00 0.53 H new ATOM 0 HB2 GLU A 90 2.377 -8.079 -11.899 1.00 0.67 H new ATOM 0 HB3 GLU A 90 2.479 -6.699 -12.974 1.00 0.67 H new ATOM 0 HG2 GLU A 90 4.881 -7.371 -13.458 1.00 1.26 H new ATOM 0 HG3 GLU A 90 4.585 -8.839 -12.548 1.00 1.26 H new ATOM 1366 N PRO A 91 2.185 -4.557 -11.125 1.00 0.47 N ATOM 1367 CA PRO A 91 1.031 -3.770 -10.691 1.00 0.45 C ATOM 1368 C PRO A 91 -0.260 -4.552 -10.881 1.00 0.44 C ATOM 1369 O PRO A 91 -0.574 -4.990 -11.988 1.00 0.51 O ATOM 1370 CB PRO A 91 1.049 -2.539 -11.606 1.00 0.54 C ATOM 1371 CG PRO A 91 2.418 -2.509 -12.194 1.00 0.64 C ATOM 1372 CD PRO A 91 2.874 -3.934 -12.265 1.00 0.60 C ATOM 0 HA PRO A 91 1.081 -3.511 -9.633 1.00 0.45 H new ATOM 0 HB2 PRO A 91 0.288 -2.615 -12.383 1.00 0.54 H new ATOM 0 HB3 PRO A 91 0.842 -1.628 -11.045 1.00 0.54 H new ATOM 0 HG2 PRO A 91 2.406 -2.054 -13.185 1.00 0.64 H new ATOM 0 HG3 PRO A 91 3.093 -1.915 -11.578 1.00 0.64 H new ATOM 0 HD2 PRO A 91 2.595 -4.401 -13.210 1.00 0.60 H new ATOM 0 HD3 PRO A 91 3.957 -4.016 -12.176 1.00 0.60 H new ATOM 1380 N VAL A 92 -1.001 -4.722 -9.803 1.00 0.41 N ATOM 1381 CA VAL A 92 -2.193 -5.549 -9.816 1.00 0.44 C ATOM 1382 C VAL A 92 -3.421 -4.746 -9.419 1.00 0.46 C ATOM 1383 O VAL A 92 -3.355 -3.531 -9.233 1.00 0.58 O ATOM 1384 CB VAL A 92 -2.049 -6.748 -8.861 1.00 0.46 C ATOM 1385 CG1 VAL A 92 -0.929 -7.667 -9.322 1.00 0.50 C ATOM 1386 CG2 VAL A 92 -1.797 -6.266 -7.440 1.00 0.46 C ATOM 0 H VAL A 92 -0.796 -4.295 -8.900 1.00 0.41 H new ATOM 0 HA VAL A 92 -2.316 -5.915 -10.835 1.00 0.44 H new ATOM 0 HB VAL A 92 -2.981 -7.314 -8.873 1.00 0.46 H new ATOM 0 HG11 VAL A 92 -0.843 -8.508 -8.635 1.00 0.50 H new ATOM 0 HG12 VAL A 92 -1.151 -8.037 -10.323 1.00 0.50 H new ATOM 0 HG13 VAL A 92 0.011 -7.115 -9.340 1.00 0.50 H new ATOM 0 HG21 VAL A 92 -1.697 -7.125 -6.777 1.00 0.46 H new ATOM 0 HG22 VAL A 92 -0.880 -5.678 -7.413 1.00 0.46 H new ATOM 0 HG23 VAL A 92 -2.633 -5.649 -7.111 1.00 0.46 H new ATOM 1396 N LEU A 93 -4.537 -5.438 -9.285 1.00 0.56 N ATOM 1397 CA LEU A 93 -5.798 -4.809 -8.950 1.00 0.59 C ATOM 1398 C LEU A 93 -6.441 -5.503 -7.757 1.00 0.56 C ATOM 1399 O LEU A 93 -6.666 -6.716 -7.789 1.00 0.66 O ATOM 1400 CB LEU A 93 -6.741 -4.868 -10.150 1.00 0.67 C ATOM 1401 CG LEU A 93 -8.139 -4.293 -9.911 1.00 0.87 C ATOM 1402 CD1 LEU A 93 -8.067 -2.804 -9.593 1.00 1.32 C ATOM 1403 CD2 LEU A 93 -9.023 -4.540 -11.122 1.00 1.49 C ATOM 0 H LEU A 93 -4.594 -6.449 -9.405 1.00 0.56 H new ATOM 0 HA LEU A 93 -5.608 -3.768 -8.688 1.00 0.59 H new ATOM 0 HB2 LEU A 93 -6.282 -4.330 -10.979 1.00 0.67 H new ATOM 0 HB3 LEU A 93 -6.842 -5.908 -10.461 1.00 0.67 H new ATOM 0 HG LEU A 93 -8.577 -4.800 -9.051 1.00 0.87 H new ATOM 0 HD11 LEU A 93 -9.073 -2.418 -9.427 1.00 1.32 H new ATOM 0 HD12 LEU A 93 -7.468 -2.652 -8.695 1.00 1.32 H new ATOM 0 HD13 LEU A 93 -7.609 -2.275 -10.429 1.00 1.32 H new ATOM 0 HD21 LEU A 93 -10.015 -4.126 -10.939 1.00 1.49 H new ATOM 0 HD22 LEU A 93 -8.585 -4.059 -11.997 1.00 1.49 H new ATOM 0 HD23 LEU A 93 -9.105 -5.612 -11.300 1.00 1.49 H new ATOM 1415 N ASP A 94 -6.707 -4.740 -6.705 1.00 0.57 N ATOM 1416 CA ASP A 94 -7.439 -5.248 -5.553 1.00 0.54 C ATOM 1417 C ASP A 94 -8.911 -4.896 -5.680 1.00 0.53 C ATOM 1418 O ASP A 94 -9.274 -3.726 -5.768 1.00 0.54 O ATOM 1419 CB ASP A 94 -6.887 -4.671 -4.243 1.00 0.56 C ATOM 1420 CG ASP A 94 -7.681 -5.115 -3.023 1.00 0.64 C ATOM 1421 OD1 ASP A 94 -8.250 -6.233 -3.037 1.00 0.85 O ATOM 1422 OD2 ASP A 94 -7.765 -4.332 -2.056 1.00 0.85 O ATOM 0 H ASP A 94 -6.425 -3.763 -6.626 1.00 0.57 H new ATOM 0 HA ASP A 94 -7.318 -6.331 -5.530 1.00 0.54 H new ATOM 0 HB2 ASP A 94 -5.848 -4.977 -4.126 1.00 0.56 H new ATOM 0 HB3 ASP A 94 -6.894 -3.582 -4.299 1.00 0.56 H new ATOM 1427 N PRO A 95 -9.780 -5.906 -5.721 1.00 0.59 N ATOM 1428 CA PRO A 95 -11.227 -5.699 -5.757 1.00 0.66 C ATOM 1429 C PRO A 95 -11.767 -5.108 -4.454 1.00 0.64 C ATOM 1430 O PRO A 95 -12.950 -4.784 -4.356 1.00 0.74 O ATOM 1431 CB PRO A 95 -11.792 -7.112 -5.979 1.00 0.75 C ATOM 1432 CG PRO A 95 -10.631 -7.922 -6.451 1.00 0.77 C ATOM 1433 CD PRO A 95 -9.430 -7.329 -5.780 1.00 0.66 C ATOM 0 HA PRO A 95 -11.512 -4.986 -6.531 1.00 0.66 H new ATOM 0 HB2 PRO A 95 -12.209 -7.519 -5.058 1.00 0.75 H new ATOM 0 HB3 PRO A 95 -12.594 -7.105 -6.717 1.00 0.75 H new ATOM 0 HG2 PRO A 95 -10.751 -8.972 -6.185 1.00 0.77 H new ATOM 0 HG3 PRO A 95 -10.536 -7.877 -7.536 1.00 0.77 H new ATOM 0 HD2 PRO A 95 -9.268 -7.750 -4.788 1.00 0.66 H new ATOM 0 HD3 PRO A 95 -8.518 -7.501 -6.352 1.00 0.66 H new ATOM 1441 N HIS A 96 -10.900 -4.961 -3.460 1.00 0.58 N ATOM 1442 CA HIS A 96 -11.317 -4.484 -2.145 1.00 0.64 C ATOM 1443 C HIS A 96 -10.607 -3.190 -1.779 1.00 0.57 C ATOM 1444 O HIS A 96 -10.362 -2.930 -0.601 1.00 0.58 O ATOM 1445 CB HIS A 96 -11.013 -5.529 -1.067 1.00 0.80 C ATOM 1446 CG HIS A 96 -11.319 -6.932 -1.474 1.00 1.01 C ATOM 1447 ND1 HIS A 96 -10.401 -7.732 -2.114 1.00 1.93 N ATOM 1448 CD2 HIS A 96 -12.438 -7.677 -1.337 1.00 1.18 C ATOM 1449 CE1 HIS A 96 -10.940 -8.911 -2.353 1.00 1.93 C ATOM 1450 NE2 HIS A 96 -12.175 -8.904 -1.889 1.00 1.31 N ATOM 0 H HIS A 96 -9.904 -5.165 -3.538 1.00 0.58 H new ATOM 0 HA HIS A 96 -12.391 -4.305 -2.194 1.00 0.64 H new ATOM 0 HB2 HIS A 96 -9.959 -5.462 -0.798 1.00 0.80 H new ATOM 0 HB3 HIS A 96 -11.586 -5.289 -0.172 1.00 0.80 H new ATOM 0 HD1 HIS A 96 -9.452 -7.456 -2.364 1.00 1.93 H new ATOM 0 HD2 HIS A 96 -13.365 -7.365 -0.879 1.00 1.18 H new ATOM 0 HE1 HIS A 96 -10.454 -9.741 -2.845 1.00 1.93 H new ATOM 1459 N LEU A 97 -10.279 -2.383 -2.781 1.00 0.56 N ATOM 1460 CA LEU A 97 -9.613 -1.106 -2.544 1.00 0.54 C ATOM 1461 C LEU A 97 -10.390 -0.271 -1.542 1.00 0.54 C ATOM 1462 O LEU A 97 -9.821 0.283 -0.600 1.00 0.55 O ATOM 1463 CB LEU A 97 -9.476 -0.321 -3.846 1.00 0.59 C ATOM 1464 CG LEU A 97 -8.615 -0.974 -4.918 1.00 0.62 C ATOM 1465 CD1 LEU A 97 -8.686 -0.165 -6.198 1.00 0.73 C ATOM 1466 CD2 LEU A 97 -7.179 -1.115 -4.439 1.00 0.63 C ATOM 0 H LEU A 97 -10.462 -2.589 -3.763 1.00 0.56 H new ATOM 0 HA LEU A 97 -8.622 -1.320 -2.143 1.00 0.54 H new ATOM 0 HB2 LEU A 97 -10.472 -0.155 -4.256 1.00 0.59 H new ATOM 0 HB3 LEU A 97 -9.058 0.659 -3.617 1.00 0.59 H new ATOM 0 HG LEU A 97 -8.997 -1.975 -5.119 1.00 0.62 H new ATOM 0 HD11 LEU A 97 -8.068 -0.637 -6.962 1.00 0.73 H new ATOM 0 HD12 LEU A 97 -9.719 -0.121 -6.544 1.00 0.73 H new ATOM 0 HD13 LEU A 97 -8.322 0.845 -6.010 1.00 0.73 H new ATOM 0 HD21 LEU A 97 -6.580 -1.584 -5.219 1.00 0.63 H new ATOM 0 HD22 LEU A 97 -6.773 -0.129 -4.212 1.00 0.63 H new ATOM 0 HD23 LEU A 97 -7.154 -1.733 -3.542 1.00 0.63 H new ATOM 1478 N ALA A 98 -11.698 -0.208 -1.741 1.00 0.58 N ATOM 1479 CA ALA A 98 -12.565 0.567 -0.871 1.00 0.63 C ATOM 1480 C ALA A 98 -12.608 -0.045 0.520 1.00 0.61 C ATOM 1481 O ALA A 98 -12.658 0.670 1.511 1.00 0.65 O ATOM 1482 CB ALA A 98 -13.964 0.671 -1.457 1.00 0.74 C ATOM 0 H ALA A 98 -12.182 -0.687 -2.501 1.00 0.58 H new ATOM 0 HA ALA A 98 -12.157 1.574 -0.790 1.00 0.63 H new ATOM 0 HB1 ALA A 98 -14.596 1.256 -0.788 1.00 0.74 H new ATOM 0 HB2 ALA A 98 -13.915 1.160 -2.430 1.00 0.74 H new ATOM 0 HB3 ALA A 98 -14.385 -0.328 -1.573 1.00 0.74 H new ATOM 1488 N LYS A 99 -12.570 -1.372 0.584 1.00 0.60 N ATOM 1489 CA LYS A 99 -12.555 -2.079 1.861 1.00 0.64 C ATOM 1490 C LYS A 99 -11.262 -1.798 2.610 1.00 0.58 C ATOM 1491 O LYS A 99 -11.265 -1.558 3.818 1.00 0.61 O ATOM 1492 CB LYS A 99 -12.695 -3.583 1.647 1.00 0.73 C ATOM 1493 CG LYS A 99 -12.798 -4.372 2.943 1.00 0.89 C ATOM 1494 CD LYS A 99 -12.836 -5.870 2.690 1.00 1.73 C ATOM 1495 CE LYS A 99 -12.908 -6.653 3.992 1.00 2.30 C ATOM 1496 NZ LYS A 99 -14.150 -6.359 4.757 1.00 2.81 N ATOM 0 H LYS A 99 -12.549 -1.981 -0.234 1.00 0.60 H new ATOM 0 HA LYS A 99 -13.399 -1.722 2.450 1.00 0.64 H new ATOM 0 HB2 LYS A 99 -13.581 -3.775 1.042 1.00 0.73 H new ATOM 0 HB3 LYS A 99 -11.837 -3.943 1.079 1.00 0.73 H new ATOM 0 HG2 LYS A 99 -11.948 -4.133 3.583 1.00 0.89 H new ATOM 0 HG3 LYS A 99 -13.697 -4.071 3.481 1.00 0.89 H new ATOM 0 HD2 LYS A 99 -13.698 -6.114 2.069 1.00 1.73 H new ATOM 0 HD3 LYS A 99 -11.948 -6.169 2.133 1.00 1.73 H new ATOM 0 HE2 LYS A 99 -12.861 -7.720 3.775 1.00 2.30 H new ATOM 0 HE3 LYS A 99 -12.040 -6.414 4.606 1.00 2.30 H new ATOM 0 HZ1 LYS A 99 -14.240 -7.032 5.545 1.00 2.81 H new ATOM 0 HZ2 LYS A 99 -14.105 -5.390 5.133 1.00 2.81 H new ATOM 0 HZ3 LYS A 99 -14.974 -6.449 4.129 1.00 2.81 H new ATOM 1510 N HIS A 100 -10.153 -1.833 1.880 1.00 0.55 N ATOM 1511 CA HIS A 100 -8.845 -1.590 2.468 1.00 0.59 C ATOM 1512 C HIS A 100 -8.794 -0.195 3.075 1.00 0.57 C ATOM 1513 O HIS A 100 -8.189 0.012 4.123 1.00 0.62 O ATOM 1514 CB HIS A 100 -7.740 -1.759 1.416 1.00 0.69 C ATOM 1515 CG HIS A 100 -6.352 -1.537 1.943 1.00 1.73 C ATOM 1516 ND1 HIS A 100 -5.466 -0.642 1.379 1.00 2.69 N ATOM 1517 CD2 HIS A 100 -5.693 -2.112 2.979 1.00 2.45 C ATOM 1518 CE1 HIS A 100 -4.325 -0.678 2.043 1.00 3.49 C ATOM 1519 NE2 HIS A 100 -4.434 -1.560 3.018 1.00 3.34 N ATOM 0 H HIS A 100 -10.136 -2.028 0.879 1.00 0.55 H new ATOM 0 HA HIS A 100 -8.678 -2.322 3.259 1.00 0.59 H new ATOM 0 HB2 HIS A 100 -7.802 -2.764 0.998 1.00 0.69 H new ATOM 0 HB3 HIS A 100 -7.922 -1.062 0.598 1.00 0.69 H new ATOM 0 HD2 HIS A 100 -6.084 -2.864 3.649 1.00 2.45 H new ATOM 0 HE1 HIS A 100 -3.449 -0.085 1.824 1.00 3.49 H new ATOM 0 HE2 HIS A 100 -3.704 -1.794 3.691 1.00 3.34 H new ATOM 1528 N LEU A 101 -9.439 0.752 2.413 1.00 0.58 N ATOM 1529 CA LEU A 101 -9.489 2.119 2.896 1.00 0.66 C ATOM 1530 C LEU A 101 -10.541 2.275 3.987 1.00 0.68 C ATOM 1531 O LEU A 101 -10.310 2.956 4.979 1.00 0.76 O ATOM 1532 CB LEU A 101 -9.788 3.072 1.743 1.00 0.70 C ATOM 1533 CG LEU A 101 -8.858 2.933 0.546 1.00 0.72 C ATOM 1534 CD1 LEU A 101 -9.165 3.997 -0.495 1.00 0.81 C ATOM 1535 CD2 LEU A 101 -7.404 3.011 0.984 1.00 0.79 C ATOM 0 H LEU A 101 -9.937 0.596 1.536 1.00 0.58 H new ATOM 0 HA LEU A 101 -8.516 2.365 3.322 1.00 0.66 H new ATOM 0 HB2 LEU A 101 -10.813 2.908 1.411 1.00 0.70 H new ATOM 0 HB3 LEU A 101 -9.732 4.096 2.112 1.00 0.70 H new ATOM 0 HG LEU A 101 -9.024 1.955 0.094 1.00 0.72 H new ATOM 0 HD11 LEU A 101 -8.490 3.882 -1.343 1.00 0.81 H new ATOM 0 HD12 LEU A 101 -10.195 3.888 -0.834 1.00 0.81 H new ATOM 0 HD13 LEU A 101 -9.030 4.985 -0.056 1.00 0.81 H new ATOM 0 HD21 LEU A 101 -6.756 2.909 0.114 1.00 0.79 H new ATOM 0 HD22 LEU A 101 -7.220 3.972 1.464 1.00 0.79 H new ATOM 0 HD23 LEU A 101 -7.193 2.207 1.689 1.00 0.79 H new ATOM 1547 N ALA A 102 -11.691 1.634 3.799 1.00 0.68 N ATOM 1548 CA ALA A 102 -12.792 1.712 4.764 1.00 0.78 C ATOM 1549 C ALA A 102 -12.375 1.171 6.126 1.00 0.76 C ATOM 1550 O ALA A 102 -12.847 1.637 7.162 1.00 0.85 O ATOM 1551 CB ALA A 102 -14.010 0.956 4.256 1.00 0.88 C ATOM 0 H ALA A 102 -11.889 1.052 2.985 1.00 0.68 H new ATOM 0 HA ALA A 102 -13.052 2.764 4.878 1.00 0.78 H new ATOM 0 HB1 ALA A 102 -14.814 1.028 4.988 1.00 0.88 H new ATOM 0 HB2 ALA A 102 -14.339 1.389 3.312 1.00 0.88 H new ATOM 0 HB3 ALA A 102 -13.750 -0.092 4.103 1.00 0.88 H new ATOM 1557 N HIS A 103 -11.483 0.190 6.113 1.00 0.72 N ATOM 1558 CA HIS A 103 -10.921 -0.366 7.341 1.00 0.79 C ATOM 1559 C HIS A 103 -10.057 0.685 8.045 1.00 0.88 C ATOM 1560 O HIS A 103 -9.707 0.548 9.216 1.00 1.02 O ATOM 1561 CB HIS A 103 -10.090 -1.609 7.002 1.00 0.86 C ATOM 1562 CG HIS A 103 -9.527 -2.331 8.187 1.00 1.10 C ATOM 1563 ND1 HIS A 103 -8.182 -2.332 8.494 1.00 1.75 N ATOM 1564 CD2 HIS A 103 -10.125 -3.101 9.128 1.00 1.50 C ATOM 1565 CE1 HIS A 103 -7.979 -3.072 9.566 1.00 1.77 C ATOM 1566 NE2 HIS A 103 -9.138 -3.549 9.971 1.00 1.52 N ATOM 0 H HIS A 103 -11.129 -0.242 5.259 1.00 0.72 H new ATOM 0 HA HIS A 103 -11.728 -0.653 8.015 1.00 0.79 H new ATOM 0 HB2 HIS A 103 -10.712 -2.301 6.435 1.00 0.86 H new ATOM 0 HB3 HIS A 103 -9.268 -1.312 6.351 1.00 0.86 H new ATOM 0 HD2 HIS A 103 -11.180 -3.321 9.201 1.00 1.50 H new ATOM 0 HE1 HIS A 103 -7.023 -3.256 10.034 1.00 1.77 H new ATOM 0 HE2 HIS A 103 -9.280 -4.154 10.780 1.00 1.52 H new ATOM 1575 N PHE A 104 -9.734 1.738 7.310 1.00 0.86 N ATOM 1576 CA PHE A 104 -8.898 2.820 7.807 1.00 1.03 C ATOM 1577 C PHE A 104 -9.720 4.083 8.038 1.00 1.11 C ATOM 1578 O PHE A 104 -9.215 5.079 8.550 1.00 1.29 O ATOM 1579 CB PHE A 104 -7.777 3.094 6.799 1.00 1.06 C ATOM 1580 CG PHE A 104 -6.729 2.016 6.774 1.00 1.10 C ATOM 1581 CD1 PHE A 104 -6.348 1.375 7.940 1.00 1.34 C ATOM 1582 CD2 PHE A 104 -6.112 1.658 5.586 1.00 1.24 C ATOM 1583 CE1 PHE A 104 -5.368 0.399 7.924 1.00 1.40 C ATOM 1584 CE2 PHE A 104 -5.134 0.682 5.562 1.00 1.35 C ATOM 1585 CZ PHE A 104 -4.821 -0.007 6.726 1.00 1.30 C ATOM 0 H PHE A 104 -10.046 1.867 6.347 1.00 0.86 H new ATOM 0 HA PHE A 104 -8.467 2.523 8.763 1.00 1.03 H new ATOM 0 HB2 PHE A 104 -8.209 3.196 5.803 1.00 1.06 H new ATOM 0 HB3 PHE A 104 -7.304 4.046 7.040 1.00 1.06 H new ATOM 0 HD1 PHE A 104 -6.822 1.640 8.874 1.00 1.34 H new ATOM 0 HD2 PHE A 104 -6.399 2.148 4.667 1.00 1.24 H new ATOM 0 HE1 PHE A 104 -5.032 -0.045 8.850 1.00 1.40 H new ATOM 0 HE2 PHE A 104 -4.615 0.456 4.642 1.00 1.35 H new ATOM 0 HZ PHE A 104 -4.153 -0.855 6.693 1.00 1.30 H new ATOM 1595 N GLY A 105 -10.991 4.032 7.661 1.00 1.03 N ATOM 1596 CA GLY A 105 -11.840 5.205 7.755 1.00 1.17 C ATOM 1597 C GLY A 105 -11.735 6.065 6.514 1.00 1.18 C ATOM 1598 O GLY A 105 -12.378 7.112 6.410 1.00 1.35 O ATOM 0 H GLY A 105 -11.450 3.199 7.292 1.00 1.03 H new ATOM 0 HA2 GLY A 105 -12.875 4.896 7.898 1.00 1.17 H new ATOM 0 HA3 GLY A 105 -11.558 5.791 8.630 1.00 1.17 H new ATOM 1602 N ILE A 106 -10.917 5.610 5.578 1.00 1.03 N ATOM 1603 CA ILE A 106 -10.694 6.298 4.322 1.00 1.04 C ATOM 1604 C ILE A 106 -11.715 5.864 3.278 1.00 0.98 C ATOM 1605 O ILE A 106 -12.086 4.694 3.215 1.00 0.96 O ATOM 1606 CB ILE A 106 -9.280 5.997 3.787 1.00 0.98 C ATOM 1607 CG1 ILE A 106 -8.225 6.466 4.789 1.00 1.16 C ATOM 1608 CG2 ILE A 106 -9.071 6.659 2.434 1.00 0.98 C ATOM 1609 CD1 ILE A 106 -6.811 6.141 4.366 1.00 1.22 C ATOM 0 H ILE A 106 -10.386 4.744 5.672 1.00 1.03 H new ATOM 0 HA ILE A 106 -10.798 7.367 4.508 1.00 1.04 H new ATOM 0 HB ILE A 106 -9.177 4.920 3.657 1.00 0.98 H new ATOM 0 HG12 ILE A 106 -8.317 7.544 4.925 1.00 1.16 H new ATOM 0 HG13 ILE A 106 -8.422 6.004 5.756 1.00 1.16 H new ATOM 0 HG21 ILE A 106 -8.068 6.436 2.071 1.00 0.98 H new ATOM 0 HG22 ILE A 106 -9.806 6.278 1.725 1.00 0.98 H new ATOM 0 HG23 ILE A 106 -9.189 7.738 2.535 1.00 0.98 H new ATOM 0 HD11 ILE A 106 -6.113 6.501 5.122 1.00 1.22 H new ATOM 0 HD12 ILE A 106 -6.703 5.062 4.257 1.00 1.22 H new ATOM 0 HD13 ILE A 106 -6.596 6.625 3.413 1.00 1.22 H new ATOM 1621 N ASP A 107 -12.190 6.805 2.478 1.00 1.09 N ATOM 1622 CA ASP A 107 -13.008 6.463 1.330 1.00 1.17 C ATOM 1623 C ASP A 107 -12.519 7.216 0.103 1.00 1.10 C ATOM 1624 O ASP A 107 -12.029 8.342 0.195 1.00 1.21 O ATOM 1625 CB ASP A 107 -14.490 6.744 1.589 1.00 1.52 C ATOM 1626 CG ASP A 107 -14.890 8.189 1.387 1.00 1.93 C ATOM 1627 OD1 ASP A 107 -14.608 9.008 2.285 1.00 2.60 O ATOM 1628 OD2 ASP A 107 -15.445 8.522 0.319 1.00 2.14 O ATOM 0 H ASP A 107 -12.024 7.804 2.602 1.00 1.09 H new ATOM 0 HA ASP A 107 -12.911 5.392 1.150 1.00 1.17 H new ATOM 0 HB2 ASP A 107 -15.088 6.117 0.928 1.00 1.52 H new ATOM 0 HB3 ASP A 107 -14.731 6.451 2.611 1.00 1.52 H new ATOM 1633 N MET A 108 -12.641 6.559 -1.043 1.00 0.98 N ATOM 1634 CA MET A 108 -12.118 7.070 -2.303 1.00 0.94 C ATOM 1635 C MET A 108 -12.812 8.352 -2.722 1.00 1.07 C ATOM 1636 O MET A 108 -12.202 9.241 -3.314 1.00 1.20 O ATOM 1637 CB MET A 108 -12.292 6.032 -3.411 1.00 0.87 C ATOM 1638 CG MET A 108 -11.669 4.690 -3.079 1.00 0.96 C ATOM 1639 SD MET A 108 -11.691 3.537 -4.467 1.00 1.72 S ATOM 1640 CE MET A 108 -13.446 3.444 -4.816 1.00 2.07 C ATOM 0 H MET A 108 -13.106 5.655 -1.125 1.00 0.98 H new ATOM 0 HA MET A 108 -11.060 7.280 -2.148 1.00 0.94 H new ATOM 0 HB2 MET A 108 -13.355 5.893 -3.605 1.00 0.87 H new ATOM 0 HB3 MET A 108 -11.847 6.414 -4.330 1.00 0.87 H new ATOM 0 HG2 MET A 108 -10.639 4.844 -2.758 1.00 0.96 H new ATOM 0 HG3 MET A 108 -12.202 4.247 -2.238 1.00 0.96 H new ATOM 0 HE1 MET A 108 -13.631 2.651 -5.541 1.00 2.07 H new ATOM 0 HE2 MET A 108 -13.989 3.228 -3.896 1.00 2.07 H new ATOM 0 HE3 MET A 108 -13.787 4.396 -5.224 1.00 2.07 H new ATOM 1650 N LEU A 109 -14.092 8.436 -2.422 1.00 1.17 N ATOM 1651 CA LEU A 109 -14.894 9.578 -2.815 1.00 1.40 C ATOM 1652 C LEU A 109 -14.832 10.679 -1.758 1.00 1.71 C ATOM 1653 O LEU A 109 -15.722 11.529 -1.688 1.00 2.17 O ATOM 1654 CB LEU A 109 -16.340 9.137 -3.034 1.00 1.57 C ATOM 1655 CG LEU A 109 -16.517 7.832 -3.811 1.00 1.50 C ATOM 1656 CD1 LEU A 109 -17.987 7.489 -3.906 1.00 1.89 C ATOM 1657 CD2 LEU A 109 -15.887 7.924 -5.191 1.00 1.30 C ATOM 0 H LEU A 109 -14.603 7.722 -1.903 1.00 1.17 H new ATOM 0 HA LEU A 109 -14.494 9.982 -3.745 1.00 1.40 H new ATOM 0 HB2 LEU A 109 -16.820 9.029 -2.062 1.00 1.57 H new ATOM 0 HB3 LEU A 109 -16.868 9.930 -3.564 1.00 1.57 H new ATOM 0 HG LEU A 109 -16.004 7.034 -3.274 1.00 1.50 H new ATOM 0 HD11 LEU A 109 -18.108 6.558 -4.460 1.00 1.89 H new ATOM 0 HD12 LEU A 109 -18.398 7.370 -2.904 1.00 1.89 H new ATOM 0 HD13 LEU A 109 -18.515 8.291 -4.422 1.00 1.89 H new ATOM 0 HD21 LEU A 109 -16.029 6.981 -5.719 1.00 1.30 H new ATOM 0 HD22 LEU A 109 -16.359 8.730 -5.753 1.00 1.30 H new ATOM 0 HD23 LEU A 109 -14.821 8.127 -5.091 1.00 1.30 H new ATOM 1669 N HIS A 110 -13.767 10.660 -0.951 1.00 1.70 N ATOM 1670 CA HIS A 110 -13.566 11.644 0.116 1.00 2.08 C ATOM 1671 C HIS A 110 -13.594 13.066 -0.438 1.00 2.42 C ATOM 1672 O HIS A 110 -13.989 14.004 0.255 1.00 2.88 O ATOM 1673 CB HIS A 110 -12.236 11.384 0.838 1.00 2.46 C ATOM 1674 CG HIS A 110 -12.004 12.264 2.031 1.00 2.88 C ATOM 1675 ND1 HIS A 110 -11.102 13.308 2.034 1.00 3.40 N ATOM 1676 CD2 HIS A 110 -12.549 12.243 3.271 1.00 3.25 C ATOM 1677 CE1 HIS A 110 -11.102 13.888 3.218 1.00 3.81 C ATOM 1678 NE2 HIS A 110 -11.971 13.263 3.987 1.00 3.69 N ATOM 0 H HIS A 110 -13.023 9.965 -1.019 1.00 1.70 H new ATOM 0 HA HIS A 110 -14.383 11.540 0.830 1.00 2.08 H new ATOM 0 HB2 HIS A 110 -12.206 10.342 1.157 1.00 2.46 H new ATOM 0 HB3 HIS A 110 -11.418 11.525 0.132 1.00 2.46 H new ATOM 0 HD2 HIS A 110 -13.298 11.553 3.630 1.00 3.25 H new ATOM 0 HE1 HIS A 110 -10.493 14.732 3.508 1.00 3.81 H new ATOM 0 HE2 HIS A 110 -12.181 13.499 4.957 1.00 3.69 H new ATOM 1687 N MET A 111 -13.157 13.218 -1.685 1.00 2.65 N ATOM 1688 CA MET A 111 -13.279 14.492 -2.381 1.00 3.48 C ATOM 1689 C MET A 111 -14.751 14.768 -2.660 1.00 3.63 C ATOM 1690 O MET A 111 -15.373 15.596 -1.996 1.00 4.24 O ATOM 1691 CB MET A 111 -12.490 14.475 -3.696 1.00 4.22 C ATOM 1692 CG MET A 111 -10.988 14.326 -3.516 1.00 4.76 C ATOM 1693 SD MET A 111 -10.225 15.783 -2.775 1.00 5.56 S ATOM 1694 CE MET A 111 -10.492 17.002 -4.062 1.00 6.12 C ATOM 0 H MET A 111 -12.717 12.477 -2.231 1.00 2.65 H new ATOM 0 HA MET A 111 -12.867 15.280 -1.751 1.00 3.48 H new ATOM 0 HB2 MET A 111 -12.854 13.655 -4.315 1.00 4.22 H new ATOM 0 HB3 MET A 111 -12.690 15.398 -4.240 1.00 4.22 H new ATOM 0 HG2 MET A 111 -10.786 13.457 -2.889 1.00 4.76 H new ATOM 0 HG3 MET A 111 -10.528 14.134 -4.485 1.00 4.76 H new ATOM 0 HE1 MET A 111 -9.771 17.812 -3.951 1.00 6.12 H new ATOM 0 HE2 MET A 111 -10.365 16.534 -5.038 1.00 6.12 H new ATOM 0 HE3 MET A 111 -11.503 17.402 -3.980 1.00 6.12 H new ATOM 1704 N HIS A 112 -15.288 14.041 -3.640 1.00 3.37 N ATOM 1705 CA HIS A 112 -16.720 14.030 -3.945 1.00 3.76 C ATOM 1706 C HIS A 112 -16.940 13.258 -5.242 1.00 3.53 C ATOM 1707 O HIS A 112 -17.817 13.580 -6.042 1.00 4.16 O ATOM 1708 CB HIS A 112 -17.294 15.450 -4.076 1.00 4.50 C ATOM 1709 CG HIS A 112 -18.787 15.496 -3.945 1.00 5.27 C ATOM 1710 ND1 HIS A 112 -19.441 15.308 -2.748 1.00 5.75 N ATOM 1711 CD2 HIS A 112 -19.754 15.683 -4.871 1.00 6.01 C ATOM 1712 CE1 HIS A 112 -20.743 15.374 -2.944 1.00 6.61 C ATOM 1713 NE2 HIS A 112 -20.961 15.602 -4.224 1.00 6.78 N ATOM 0 H HIS A 112 -14.737 13.438 -4.250 1.00 3.37 H new ATOM 0 HA HIS A 112 -17.243 13.547 -3.119 1.00 3.76 H new ATOM 0 HB2 HIS A 112 -16.849 16.087 -3.312 1.00 4.50 H new ATOM 0 HB3 HIS A 112 -17.007 15.863 -5.043 1.00 4.50 H new ATOM 0 HD2 HIS A 112 -19.604 15.863 -5.925 1.00 6.01 H new ATOM 0 HE1 HIS A 112 -21.502 15.261 -2.185 1.00 6.61 H new ATOM 0 HE2 HIS A 112 -21.877 15.702 -4.662 1.00 6.78 H new ATOM 1722 N GLY A 113 -16.123 12.232 -5.447 1.00 2.99 N ATOM 1723 CA GLY A 113 -16.126 11.521 -6.713 1.00 3.33 C ATOM 1724 C GLY A 113 -15.385 12.296 -7.787 1.00 3.80 C ATOM 1725 O GLY A 113 -15.311 11.871 -8.939 1.00 4.08 O ATOM 0 H GLY A 113 -15.458 11.879 -4.759 1.00 2.99 H new ATOM 0 HA2 GLY A 113 -15.663 10.543 -6.583 1.00 3.33 H new ATOM 0 HA3 GLY A 113 -17.154 11.347 -7.032 1.00 3.33 H new ATOM 1729 N THR A 114 -14.835 13.435 -7.392 1.00 4.30 N ATOM 1730 CA THR A 114 -14.103 14.305 -8.292 1.00 5.21 C ATOM 1731 C THR A 114 -12.621 13.939 -8.312 1.00 5.66 C ATOM 1732 O THR A 114 -11.929 14.206 -7.305 1.00 6.13 O ATOM 1733 CB THR A 114 -14.266 15.769 -7.857 1.00 5.98 C ATOM 1734 OG1 THR A 114 -13.972 15.884 -6.458 1.00 6.34 O ATOM 1735 CG2 THR A 114 -15.680 16.264 -8.125 1.00 6.29 C ATOM 1736 OXT THR A 114 -12.153 13.388 -9.331 1.00 5.90 O ATOM 0 H THR A 114 -14.886 13.780 -6.434 1.00 4.30 H new ATOM 0 HA THR A 114 -14.508 14.177 -9.296 1.00 5.21 H new ATOM 0 HB THR A 114 -13.574 16.382 -8.435 1.00 5.98 H new ATOM 0 HG1 THR A 114 -13.148 15.393 -6.255 1.00 6.34 H new ATOM 0 HG21 THR A 114 -15.768 17.303 -7.808 1.00 6.29 H new ATOM 0 HG22 THR A 114 -15.895 16.191 -9.191 1.00 6.29 H new ATOM 0 HG23 THR A 114 -16.391 15.653 -7.568 1.00 6.29 H new TER 1744 THR A 114 HETATM 1745 ZN ZN A 124 10.846 5.515 3.376 1.00 0.64 ZN