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 112 HIS : no HD1:sc= -0.0445 X(o=0.16,f=-0.12) USER MOD Set 1.2: A 114 THR OG1 : rot 46:sc= 0.206 USER MOD Set 2.1: A 10 GLN : amide:sc= 0 K(o=-0.18,f=-0.97) USER MOD Set 2.2: A 103 HIS : no HD1:sc= -0.182 X(o=-0.18,f=0.014) USER MOD Set 3.1: A 36 ASN : amide:sc= 1.16 K(o=2.7,f=1.3) USER MOD Set 3.2: A 41 SER OG : rot -120:sc= 0.822 USER MOD Set 3.3: A 61 HIS : no HD1:sc= 0.687 K(o=2.7,f=-3.4!) USER MOD Single : A 1 VAL N :NH3+ 148:sc= -0.0135 (180deg=-0.226) USER MOD Single : A 2 SER OG : rot 170:sc=0.000794 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 7 ASN : amide:sc= -0.248 K(o=-0.25,f=-2.7!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0974 K(o=-0.097,f=-1.1) USER MOD Single : A 20 SER OG : rot -34:sc= 0.178 USER MOD Single : A 23 LYS NZ :NH3+ 173:sc= 1.22 (180deg=1.15) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot -53:sc= 0.864 USER MOD Single : A 46 LYS NZ :NH3+ -171:sc= 0.0661 (180deg=-0.0153) USER MOD Single : A 51 SER OG : rot -150:sc= -0.11 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -139:sc= -0.156 (180deg=-1.95!) 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 -84:sc= 1.98 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 74:sc= 1.24 USER MOD Single : A 85 SER OG : rot 158:sc= 1.74 USER MOD Single : A 87 GLN : amide:sc= 2.24 K(o=2.2,f=-0.098) USER MOD Single : A 96 HIS : no HD1:sc= -1.78! K(o=-1.8!,f=-1.1) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HE2:sc= -4.53! C(o=-4.5!,f=-6.9!) USER MOD Single : A 108 MET CE :methyl 154:sc= -0.267 (180deg=-1.32!) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 MET CE :methyl -149:sc= -0.148 (180deg=-1.17) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -5.727 -8.062 -12.056 1.00 0.75 N ATOM 2 CA VAL A 1 -6.263 -8.323 -10.701 1.00 0.65 C ATOM 3 C VAL A 1 -5.671 -9.609 -10.131 1.00 0.73 C ATOM 4 O VAL A 1 -5.573 -10.622 -10.825 1.00 0.89 O ATOM 5 CB VAL A 1 -7.811 -8.417 -10.722 1.00 0.76 C ATOM 6 CG1 VAL A 1 -8.268 -9.526 -11.648 1.00 1.17 C ATOM 7 CG2 VAL A 1 -8.370 -8.636 -9.323 1.00 1.17 C ATOM 0 H1 VAL A 1 -6.449 -7.580 -12.628 1.00 0.75 H new ATOM 0 H2 VAL A 1 -4.882 -7.460 -11.985 1.00 0.75 H new ATOM 0 H3 VAL A 1 -5.472 -8.963 -12.508 1.00 0.75 H new ATOM 0 HA VAL A 1 -5.978 -7.487 -10.062 1.00 0.65 H new ATOM 0 HB VAL A 1 -8.194 -7.468 -11.096 1.00 0.76 H new ATOM 0 HG11 VAL A 1 -9.357 -9.575 -11.648 1.00 1.17 H new ATOM 0 HG12 VAL A 1 -7.914 -9.325 -12.659 1.00 1.17 H new ATOM 0 HG13 VAL A 1 -7.862 -10.477 -11.304 1.00 1.17 H new ATOM 0 HG21 VAL A 1 -9.457 -8.698 -9.371 1.00 1.17 H new ATOM 0 HG22 VAL A 1 -7.972 -9.564 -8.913 1.00 1.17 H new ATOM 0 HG23 VAL A 1 -8.082 -7.803 -8.682 1.00 1.17 H new ATOM 17 N SER A 2 -5.251 -9.565 -8.875 1.00 0.77 N ATOM 18 CA SER A 2 -4.698 -10.739 -8.225 1.00 1.05 C ATOM 19 C SER A 2 -5.733 -11.389 -7.310 1.00 0.74 C ATOM 20 O SER A 2 -6.509 -10.707 -6.640 1.00 0.74 O ATOM 21 CB SER A 2 -3.443 -10.353 -7.436 1.00 1.59 C ATOM 22 OG SER A 2 -3.689 -9.234 -6.602 1.00 2.17 O ATOM 0 H SER A 2 -5.283 -8.731 -8.289 1.00 0.77 H new ATOM 0 HA SER A 2 -4.423 -11.467 -8.989 1.00 1.05 H new ATOM 0 HB2 SER A 2 -3.117 -11.198 -6.829 1.00 1.59 H new ATOM 0 HB3 SER A 2 -2.631 -10.124 -8.127 1.00 1.59 H new ATOM 0 HG SER A 2 -2.931 -9.106 -5.994 1.00 2.17 H new ATOM 28 N LYS A 3 -5.734 -12.721 -7.296 1.00 1.00 N ATOM 29 CA LYS A 3 -6.670 -13.501 -6.488 1.00 1.20 C ATOM 30 C LYS A 3 -6.416 -13.282 -4.998 1.00 1.01 C ATOM 31 O LYS A 3 -7.272 -13.561 -4.159 1.00 1.21 O ATOM 32 CB LYS A 3 -6.536 -14.991 -6.834 1.00 1.77 C ATOM 33 CG LYS A 3 -7.538 -15.887 -6.128 1.00 2.09 C ATOM 34 CD LYS A 3 -8.967 -15.579 -6.540 1.00 2.48 C ATOM 35 CE LYS A 3 -9.237 -16.001 -7.973 1.00 2.97 C ATOM 36 NZ LYS A 3 -10.645 -15.737 -8.372 1.00 3.76 N ATOM 0 H LYS A 3 -5.087 -13.289 -7.843 1.00 1.00 H new ATOM 0 HA LYS A 3 -7.684 -13.168 -6.712 1.00 1.20 H new ATOM 0 HB2 LYS A 3 -6.651 -15.114 -7.911 1.00 1.77 H new ATOM 0 HB3 LYS A 3 -5.529 -15.322 -6.581 1.00 1.77 H new ATOM 0 HG2 LYS A 3 -7.313 -16.930 -6.352 1.00 2.09 H new ATOM 0 HG3 LYS A 3 -7.437 -15.764 -5.050 1.00 2.09 H new ATOM 0 HD2 LYS A 3 -9.658 -16.093 -5.872 1.00 2.48 H new ATOM 0 HD3 LYS A 3 -9.155 -14.511 -6.433 1.00 2.48 H new ATOM 0 HE2 LYS A 3 -8.563 -15.466 -8.642 1.00 2.97 H new ATOM 0 HE3 LYS A 3 -9.021 -17.063 -8.086 1.00 2.97 H new ATOM 0 HZ1 LYS A 3 -10.789 -16.039 -9.357 1.00 3.76 H new ATOM 0 HZ2 LYS A 3 -11.287 -16.268 -7.750 1.00 3.76 H new ATOM 0 HZ3 LYS A 3 -10.844 -14.720 -8.289 1.00 3.76 H new ATOM 50 N TYR A 4 -5.240 -12.761 -4.683 1.00 0.82 N ATOM 51 CA TYR A 4 -4.851 -12.499 -3.305 1.00 0.74 C ATOM 52 C TYR A 4 -5.562 -11.265 -2.759 1.00 0.71 C ATOM 53 O TYR A 4 -5.538 -10.999 -1.561 1.00 0.85 O ATOM 54 CB TYR A 4 -3.331 -12.337 -3.221 1.00 0.79 C ATOM 55 CG TYR A 4 -2.599 -13.627 -3.509 1.00 0.97 C ATOM 56 CD1 TYR A 4 -2.415 -14.059 -4.816 1.00 1.18 C ATOM 57 CD2 TYR A 4 -2.113 -14.422 -2.481 1.00 1.63 C ATOM 58 CE1 TYR A 4 -1.763 -15.242 -5.092 1.00 1.59 C ATOM 59 CE2 TYR A 4 -1.459 -15.610 -2.747 1.00 2.20 C ATOM 60 CZ TYR A 4 -1.288 -16.015 -4.056 1.00 2.07 C ATOM 61 OH TYR A 4 -0.633 -17.193 -4.333 1.00 2.69 O ATOM 0 H TYR A 4 -4.531 -12.509 -5.372 1.00 0.82 H new ATOM 0 HA TYR A 4 -5.150 -13.347 -2.689 1.00 0.74 H new ATOM 0 HB2 TYR A 4 -3.010 -11.574 -3.930 1.00 0.79 H new ATOM 0 HB3 TYR A 4 -3.060 -11.983 -2.226 1.00 0.79 H new ATOM 0 HD1 TYR A 4 -2.789 -13.457 -5.631 1.00 1.18 H new ATOM 0 HD2 TYR A 4 -2.248 -14.107 -1.457 1.00 1.63 H new ATOM 0 HE1 TYR A 4 -1.626 -15.561 -6.115 1.00 1.59 H new ATOM 0 HE2 TYR A 4 -1.084 -16.218 -1.937 1.00 2.20 H new ATOM 0 HH TYR A 4 -0.359 -17.620 -3.495 1.00 2.69 H new ATOM 71 N ALA A 5 -6.200 -10.520 -3.650 1.00 0.72 N ATOM 72 CA ALA A 5 -6.973 -9.355 -3.258 1.00 0.78 C ATOM 73 C ALA A 5 -8.460 -9.697 -3.197 1.00 0.84 C ATOM 74 O ALA A 5 -9.261 -8.932 -2.668 1.00 1.03 O ATOM 75 CB ALA A 5 -6.722 -8.212 -4.226 1.00 1.02 C ATOM 0 H ALA A 5 -6.196 -10.704 -4.653 1.00 0.72 H new ATOM 0 HA ALA A 5 -6.656 -9.041 -2.263 1.00 0.78 H new ATOM 0 HB1 ALA A 5 -7.307 -7.343 -3.923 1.00 1.02 H new ATOM 0 HB2 ALA A 5 -5.662 -7.956 -4.220 1.00 1.02 H new ATOM 0 HB3 ALA A 5 -7.017 -8.515 -5.231 1.00 1.02 H new ATOM 81 N ASN A 6 -8.821 -10.862 -3.733 1.00 0.88 N ATOM 82 CA ASN A 6 -10.216 -11.299 -3.747 1.00 1.15 C ATOM 83 C ASN A 6 -10.721 -11.507 -2.324 1.00 1.35 C ATOM 84 O ASN A 6 -11.806 -11.053 -1.965 1.00 1.76 O ATOM 85 CB ASN A 6 -10.370 -12.586 -4.560 1.00 1.22 C ATOM 86 CG ASN A 6 -11.782 -13.137 -4.516 1.00 1.60 C ATOM 87 OD1 ASN A 6 -12.113 -13.963 -3.666 1.00 2.19 O ATOM 88 ND2 ASN A 6 -12.623 -12.683 -5.430 1.00 2.25 N ATOM 0 H ASN A 6 -8.169 -11.518 -4.162 1.00 0.88 H new ATOM 0 HA ASN A 6 -10.815 -10.520 -4.219 1.00 1.15 H new ATOM 0 HB2 ASN A 6 -10.091 -12.393 -5.596 1.00 1.22 H new ATOM 0 HB3 ASN A 6 -9.678 -13.337 -4.179 1.00 1.22 H new ATOM 0 HD21 ASN A 6 -13.586 -13.018 -5.448 1.00 2.25 H new ATOM 0 HD22 ASN A 6 -12.308 -11.998 -6.117 1.00 2.25 H new ATOM 95 N ASN A 7 -9.924 -12.196 -1.526 1.00 1.33 N ATOM 96 CA ASN A 7 -10.196 -12.341 -0.106 1.00 1.82 C ATOM 97 C ASN A 7 -8.901 -12.103 0.648 1.00 1.74 C ATOM 98 O ASN A 7 -8.277 -13.030 1.168 1.00 2.40 O ATOM 99 CB ASN A 7 -10.774 -13.728 0.211 1.00 2.31 C ATOM 100 CG ASN A 7 -11.312 -13.838 1.632 1.00 2.79 C ATOM 101 OD1 ASN A 7 -10.801 -13.214 2.563 1.00 3.33 O ATOM 102 ND2 ASN A 7 -12.359 -14.628 1.806 1.00 3.26 N ATOM 0 H ASN A 7 -9.076 -12.668 -1.841 1.00 1.33 H new ATOM 0 HA ASN A 7 -10.945 -11.612 0.203 1.00 1.82 H new ATOM 0 HB2 ASN A 7 -11.575 -13.951 -0.493 1.00 2.31 H new ATOM 0 HB3 ASN A 7 -10.000 -14.481 0.062 1.00 2.31 H new ATOM 0 HD21 ASN A 7 -12.768 -14.735 2.734 1.00 3.26 H new ATOM 0 HD22 ASN A 7 -12.757 -15.130 1.012 1.00 3.26 H new ATOM 109 N LEU A 8 -8.480 -10.849 0.663 1.00 1.18 N ATOM 110 CA LEU A 8 -7.217 -10.467 1.270 1.00 1.17 C ATOM 111 C LEU A 8 -7.282 -10.550 2.788 1.00 0.94 C ATOM 112 O LEU A 8 -8.354 -10.724 3.372 1.00 1.12 O ATOM 113 CB LEU A 8 -6.821 -9.060 0.818 1.00 1.36 C ATOM 114 CG LEU A 8 -7.903 -7.986 0.959 1.00 1.46 C ATOM 115 CD1 LEU A 8 -7.985 -7.461 2.385 1.00 1.38 C ATOM 116 CD2 LEU A 8 -7.636 -6.852 -0.004 1.00 2.10 C ATOM 0 H LEU A 8 -9.001 -10.072 0.257 1.00 1.18 H new ATOM 0 HA LEU A 8 -6.453 -11.170 0.938 1.00 1.17 H new ATOM 0 HB2 LEU A 8 -5.948 -8.747 1.391 1.00 1.36 H new ATOM 0 HB3 LEU A 8 -6.516 -9.107 -0.227 1.00 1.36 H new ATOM 0 HG LEU A 8 -8.863 -8.442 0.718 1.00 1.46 H new ATOM 0 HD11 LEU A 8 -8.763 -6.700 2.449 1.00 1.38 H new ATOM 0 HD12 LEU A 8 -8.224 -8.282 3.062 1.00 1.38 H new ATOM 0 HD13 LEU A 8 -7.027 -7.024 2.668 1.00 1.38 H new ATOM 0 HD21 LEU A 8 -8.411 -6.093 0.104 1.00 2.10 H new ATOM 0 HD22 LEU A 8 -6.663 -6.411 0.214 1.00 2.10 H new ATOM 0 HD23 LEU A 8 -7.641 -7.233 -1.025 1.00 2.10 H new ATOM 128 N THR A 9 -6.133 -10.413 3.419 1.00 0.92 N ATOM 129 CA THR A 9 -6.032 -10.554 4.858 1.00 0.82 C ATOM 130 C THR A 9 -5.515 -9.261 5.476 1.00 0.67 C ATOM 131 O THR A 9 -4.532 -8.692 5.001 1.00 0.76 O ATOM 132 CB THR A 9 -5.090 -11.715 5.225 1.00 1.14 C ATOM 133 OG1 THR A 9 -5.425 -12.881 4.455 1.00 1.34 O ATOM 134 CG2 THR A 9 -5.183 -12.034 6.700 1.00 1.25 C ATOM 0 H THR A 9 -5.250 -10.203 2.954 1.00 0.92 H new ATOM 0 HA THR A 9 -7.025 -10.770 5.251 1.00 0.82 H new ATOM 0 HB THR A 9 -4.068 -11.412 4.998 1.00 1.14 H new ATOM 0 HG1 THR A 9 -4.820 -13.615 4.693 1.00 1.34 H new ATOM 0 HG21 THR A 9 -4.509 -12.857 6.937 1.00 1.25 H new ATOM 0 HG22 THR A 9 -4.901 -11.156 7.281 1.00 1.25 H new ATOM 0 HG23 THR A 9 -6.206 -12.319 6.947 1.00 1.25 H new ATOM 142 N GLN A 10 -6.184 -8.798 6.523 1.00 0.63 N ATOM 143 CA GLN A 10 -5.819 -7.545 7.163 1.00 0.63 C ATOM 144 C GLN A 10 -5.288 -7.784 8.570 1.00 0.66 C ATOM 145 O GLN A 10 -5.622 -8.779 9.216 1.00 0.85 O ATOM 146 CB GLN A 10 -7.018 -6.597 7.214 1.00 0.78 C ATOM 147 CG GLN A 10 -7.571 -6.239 5.846 1.00 0.90 C ATOM 148 CD GLN A 10 -8.715 -5.248 5.923 1.00 1.21 C ATOM 149 OE1 GLN A 10 -8.505 -4.036 5.860 1.00 1.49 O ATOM 150 NE2 GLN A 10 -9.931 -5.756 6.065 1.00 1.91 N ATOM 0 H GLN A 10 -6.982 -9.272 6.946 1.00 0.63 H new ATOM 0 HA GLN A 10 -5.029 -7.086 6.568 1.00 0.63 H new ATOM 0 HB2 GLN A 10 -7.809 -7.057 7.807 1.00 0.78 H new ATOM 0 HB3 GLN A 10 -6.725 -5.682 7.729 1.00 0.78 H new ATOM 0 HG2 GLN A 10 -6.773 -5.820 5.233 1.00 0.90 H new ATOM 0 HG3 GLN A 10 -7.913 -7.146 5.347 1.00 0.90 H new ATOM 0 HE21 GLN A 10 -10.059 -6.767 6.113 1.00 1.91 H new ATOM 0 HE22 GLN A 10 -10.739 -5.136 6.127 1.00 1.91 H new ATOM 159 N LEU A 11 -4.461 -6.862 9.024 1.00 0.56 N ATOM 160 CA LEU A 11 -3.859 -6.914 10.344 1.00 0.56 C ATOM 161 C LEU A 11 -4.159 -5.603 11.051 1.00 0.57 C ATOM 162 O LEU A 11 -3.676 -4.547 10.638 1.00 0.73 O ATOM 163 CB LEU A 11 -2.339 -7.103 10.200 1.00 0.62 C ATOM 164 CG LEU A 11 -1.555 -7.583 11.435 1.00 0.53 C ATOM 165 CD1 LEU A 11 -1.712 -6.643 12.623 1.00 0.91 C ATOM 166 CD2 LEU A 11 -1.967 -8.999 11.811 1.00 0.88 C ATOM 0 H LEU A 11 -4.184 -6.045 8.480 1.00 0.56 H new ATOM 0 HA LEU A 11 -4.262 -7.746 10.921 1.00 0.56 H new ATOM 0 HB2 LEU A 11 -2.165 -7.817 9.395 1.00 0.62 H new ATOM 0 HB3 LEU A 11 -1.912 -6.152 9.881 1.00 0.62 H new ATOM 0 HG LEU A 11 -0.499 -7.581 11.166 1.00 0.53 H new ATOM 0 HD11 LEU A 11 -1.140 -7.026 13.468 1.00 0.91 H new ATOM 0 HD12 LEU A 11 -1.344 -5.653 12.355 1.00 0.91 H new ATOM 0 HD13 LEU A 11 -2.765 -6.576 12.898 1.00 0.91 H new ATOM 0 HD21 LEU A 11 -1.403 -9.322 12.686 1.00 0.88 H new ATOM 0 HD22 LEU A 11 -3.033 -9.020 12.039 1.00 0.88 H new ATOM 0 HD23 LEU A 11 -1.761 -9.671 10.978 1.00 0.88 H new ATOM 178 N ASP A 12 -4.967 -5.649 12.090 1.00 0.63 N ATOM 179 CA ASP A 12 -5.287 -4.438 12.826 1.00 0.83 C ATOM 180 C ASP A 12 -4.425 -4.343 14.070 1.00 0.94 C ATOM 181 O ASP A 12 -4.733 -4.933 15.102 1.00 1.05 O ATOM 182 CB ASP A 12 -6.768 -4.398 13.209 1.00 1.10 C ATOM 183 CG ASP A 12 -7.179 -3.059 13.800 1.00 1.44 C ATOM 184 OD1 ASP A 12 -6.954 -2.836 15.007 1.00 2.02 O ATOM 185 OD2 ASP A 12 -7.745 -2.226 13.060 1.00 1.94 O ATOM 0 H ASP A 12 -5.410 -6.498 12.442 1.00 0.63 H new ATOM 0 HA ASP A 12 -5.082 -3.585 12.180 1.00 0.83 H new ATOM 0 HB2 ASP A 12 -7.374 -4.604 12.327 1.00 1.10 H new ATOM 0 HB3 ASP A 12 -6.975 -5.189 13.930 1.00 1.10 H new ATOM 190 N ASN A 13 -3.332 -3.607 13.957 1.00 1.02 N ATOM 191 CA ASN A 13 -2.469 -3.341 15.099 1.00 1.28 C ATOM 192 C ASN A 13 -2.695 -1.907 15.549 1.00 1.44 C ATOM 193 O ASN A 13 -1.755 -1.130 15.715 1.00 1.62 O ATOM 194 CB ASN A 13 -0.998 -3.566 14.720 1.00 1.46 C ATOM 195 CG ASN A 13 -0.074 -3.578 15.927 1.00 1.77 C ATOM 196 OD1 ASN A 13 -0.461 -3.995 17.018 1.00 1.90 O ATOM 197 ND2 ASN A 13 1.156 -3.120 15.738 1.00 2.47 N ATOM 0 H ASN A 13 -3.019 -3.181 13.084 1.00 1.02 H new ATOM 0 HA ASN A 13 -2.709 -4.023 15.915 1.00 1.28 H new ATOM 0 HB2 ASN A 13 -0.905 -4.513 14.188 1.00 1.46 H new ATOM 0 HB3 ASN A 13 -0.681 -2.782 14.033 1.00 1.46 H new ATOM 0 HD21 ASN A 13 1.819 -3.105 16.513 1.00 2.47 H new ATOM 0 HD22 ASN A 13 1.439 -2.783 14.818 1.00 2.47 H new ATOM 204 N GLY A 14 -3.966 -1.562 15.727 1.00 1.54 N ATOM 205 CA GLY A 14 -4.332 -0.190 16.008 1.00 1.82 C ATOM 206 C GLY A 14 -4.084 0.700 14.809 1.00 1.62 C ATOM 207 O GLY A 14 -3.745 1.875 14.956 1.00 1.79 O ATOM 0 H GLY A 14 -4.750 -2.212 15.681 1.00 1.54 H new ATOM 0 HA2 GLY A 14 -5.384 -0.142 16.288 1.00 1.82 H new ATOM 0 HA3 GLY A 14 -3.758 0.175 16.860 1.00 1.82 H new ATOM 211 N VAL A 15 -4.251 0.131 13.616 1.00 1.30 N ATOM 212 CA VAL A 15 -3.973 0.845 12.379 1.00 1.12 C ATOM 213 C VAL A 15 -4.875 2.058 12.213 1.00 1.26 C ATOM 214 O VAL A 15 -6.099 1.954 12.085 1.00 1.39 O ATOM 215 CB VAL A 15 -4.083 -0.081 11.141 1.00 0.92 C ATOM 216 CG1 VAL A 15 -5.389 -0.853 11.144 1.00 0.98 C ATOM 217 CG2 VAL A 15 -3.937 0.714 9.848 1.00 0.93 C ATOM 0 H VAL A 15 -4.579 -0.826 13.484 1.00 1.30 H new ATOM 0 HA VAL A 15 -2.943 1.195 12.449 1.00 1.12 H new ATOM 0 HB VAL A 15 -3.265 -0.800 11.197 1.00 0.92 H new ATOM 0 HG11 VAL A 15 -5.435 -1.493 10.263 1.00 0.98 H new ATOM 0 HG12 VAL A 15 -5.446 -1.468 12.042 1.00 0.98 H new ATOM 0 HG13 VAL A 15 -6.225 -0.154 11.129 1.00 0.98 H new ATOM 0 HG21 VAL A 15 -4.018 0.040 8.995 1.00 0.93 H new ATOM 0 HG22 VAL A 15 -4.724 1.466 9.792 1.00 0.93 H new ATOM 0 HG23 VAL A 15 -2.964 1.205 9.831 1.00 0.93 H new ATOM 227 N ARG A 16 -4.251 3.214 12.256 1.00 1.34 N ATOM 228 CA ARG A 16 -4.932 4.463 12.026 1.00 1.54 C ATOM 229 C ARG A 16 -4.041 5.345 11.172 1.00 1.39 C ATOM 230 O ARG A 16 -3.069 5.916 11.661 1.00 1.49 O ATOM 231 CB ARG A 16 -5.261 5.133 13.354 1.00 1.95 C ATOM 232 CG ARG A 16 -6.420 6.115 13.275 1.00 2.24 C ATOM 233 CD ARG A 16 -7.655 5.474 12.650 1.00 2.54 C ATOM 234 NE ARG A 16 -7.944 4.150 13.214 1.00 3.18 N ATOM 235 CZ ARG A 16 -9.004 3.875 13.979 1.00 3.77 C ATOM 236 NH1 ARG A 16 -9.870 4.831 14.295 1.00 3.91 N ATOM 237 NH2 ARG A 16 -9.211 2.634 14.411 1.00 4.59 N ATOM 0 H ARG A 16 -3.255 3.312 12.452 1.00 1.34 H new ATOM 0 HA ARG A 16 -5.873 4.291 11.504 1.00 1.54 H new ATOM 0 HB2 ARG A 16 -5.498 4.364 14.089 1.00 1.95 H new ATOM 0 HB3 ARG A 16 -4.376 5.658 13.715 1.00 1.95 H new ATOM 0 HG2 ARG A 16 -6.662 6.475 14.275 1.00 2.24 H new ATOM 0 HG3 ARG A 16 -6.123 6.984 12.687 1.00 2.24 H new ATOM 0 HD2 ARG A 16 -8.515 6.126 12.801 1.00 2.54 H new ATOM 0 HD3 ARG A 16 -7.509 5.383 11.574 1.00 2.54 H new ATOM 0 HE ARG A 16 -7.294 3.391 13.009 1.00 3.18 H new ATOM 0 HH11 ARG A 16 -9.728 5.781 13.953 1.00 3.91 H new ATOM 0 HH12 ARG A 16 -10.677 4.615 14.879 1.00 3.91 H new ATOM 0 HH21 ARG A 16 -8.560 1.891 14.158 1.00 4.59 H new ATOM 0 HH22 ARG A 16 -10.021 2.426 14.995 1.00 4.59 H new ATOM 251 N ILE A 17 -4.362 5.420 9.892 1.00 1.28 N ATOM 252 CA ILE A 17 -3.537 6.136 8.936 1.00 1.19 C ATOM 253 C ILE A 17 -3.635 7.639 9.191 1.00 1.73 C ATOM 254 O ILE A 17 -4.728 8.196 9.303 1.00 2.16 O ATOM 255 CB ILE A 17 -3.966 5.792 7.492 1.00 1.21 C ATOM 256 CG1 ILE A 17 -4.083 4.270 7.323 1.00 1.00 C ATOM 257 CG2 ILE A 17 -2.965 6.349 6.495 1.00 1.15 C ATOM 258 CD1 ILE A 17 -2.753 3.553 7.220 1.00 0.64 C ATOM 0 H ILE A 17 -5.195 4.990 9.489 1.00 1.28 H new ATOM 0 HA ILE A 17 -2.498 5.830 9.060 1.00 1.19 H new ATOM 0 HB ILE A 17 -4.939 6.246 7.302 1.00 1.21 H new ATOM 0 HG12 ILE A 17 -4.638 3.863 8.169 1.00 1.00 H new ATOM 0 HG13 ILE A 17 -4.667 4.059 6.427 1.00 1.00 H new ATOM 0 HG21 ILE A 17 -3.282 6.098 5.483 1.00 1.15 H new ATOM 0 HG22 ILE A 17 -2.911 7.433 6.600 1.00 1.15 H new ATOM 0 HG23 ILE A 17 -1.983 5.917 6.686 1.00 1.15 H new ATOM 0 HD11 ILE A 17 -2.925 2.483 7.103 1.00 0.64 H new ATOM 0 HD12 ILE A 17 -2.203 3.929 6.357 1.00 0.64 H new ATOM 0 HD13 ILE A 17 -2.173 3.730 8.126 1.00 0.64 H new ATOM 270 N PRO A 18 -2.471 8.301 9.284 1.00 1.80 N ATOM 271 CA PRO A 18 -2.359 9.672 9.794 1.00 2.40 C ATOM 272 C PRO A 18 -2.895 10.725 8.825 1.00 2.55 C ATOM 273 O PRO A 18 -3.042 10.468 7.629 1.00 2.19 O ATOM 274 CB PRO A 18 -0.852 9.841 9.999 1.00 2.44 C ATOM 275 CG PRO A 18 -0.216 8.903 9.034 1.00 1.82 C ATOM 276 CD PRO A 18 -1.167 7.755 8.865 1.00 1.42 C ATOM 0 HA PRO A 18 -2.953 9.816 10.697 1.00 2.40 H new ATOM 0 HB2 PRO A 18 -0.542 10.869 9.810 1.00 2.44 H new ATOM 0 HB3 PRO A 18 -0.566 9.605 11.024 1.00 2.44 H new ATOM 0 HG2 PRO A 18 -0.029 9.396 8.080 1.00 1.82 H new ATOM 0 HG3 PRO A 18 0.748 8.557 9.408 1.00 1.82 H new ATOM 0 HD2 PRO A 18 -1.194 7.409 7.832 1.00 1.42 H new ATOM 0 HD3 PRO A 18 -0.876 6.903 9.479 1.00 1.42 H new ATOM 284 N PRO A 19 -3.174 11.939 9.349 1.00 3.21 N ATOM 285 CA PRO A 19 -3.769 13.054 8.585 1.00 3.52 C ATOM 286 C PRO A 19 -2.910 13.540 7.414 1.00 3.11 C ATOM 287 O PRO A 19 -3.294 14.469 6.703 1.00 3.33 O ATOM 288 CB PRO A 19 -3.912 14.173 9.625 1.00 4.30 C ATOM 289 CG PRO A 19 -3.867 13.485 10.943 1.00 4.44 C ATOM 290 CD PRO A 19 -2.954 12.314 10.757 1.00 3.79 C ATOM 0 HA PRO A 19 -4.705 12.741 8.122 1.00 3.52 H new ATOM 0 HB2 PRO A 19 -3.107 14.902 9.533 1.00 4.30 H new ATOM 0 HB3 PRO A 19 -4.849 14.715 9.495 1.00 4.30 H new ATOM 0 HG2 PRO A 19 -3.495 14.152 11.720 1.00 4.44 H new ATOM 0 HG3 PRO A 19 -4.862 13.161 11.250 1.00 4.44 H new ATOM 0 HD2 PRO A 19 -1.914 12.580 10.946 1.00 3.79 H new ATOM 0 HD3 PRO A 19 -3.202 11.498 11.435 1.00 3.79 H new ATOM 298 N SER A 20 -1.749 12.927 7.215 1.00 2.62 N ATOM 299 CA SER A 20 -0.930 13.236 6.053 1.00 2.22 C ATOM 300 C SER A 20 -1.442 12.442 4.854 1.00 1.11 C ATOM 301 O SER A 20 -1.040 12.666 3.712 1.00 1.53 O ATOM 302 CB SER A 20 0.540 12.907 6.326 1.00 3.11 C ATOM 303 OG SER A 20 1.375 13.336 5.261 1.00 3.71 O ATOM 0 H SER A 20 -1.358 12.220 7.837 1.00 2.62 H new ATOM 0 HA SER A 20 -1.000 14.302 5.837 1.00 2.22 H new ATOM 0 HB2 SER A 20 0.855 13.386 7.253 1.00 3.11 H new ATOM 0 HB3 SER A 20 0.653 11.832 6.468 1.00 3.11 H new ATOM 0 HG SER A 20 0.893 13.250 4.412 1.00 3.71 H new ATOM 309 N GLY A 21 -2.325 11.496 5.149 1.00 1.33 N ATOM 310 CA GLY A 21 -2.932 10.654 4.138 1.00 1.87 C ATOM 311 C GLY A 21 -2.049 9.490 3.748 1.00 1.69 C ATOM 312 O GLY A 21 -2.550 8.427 3.381 1.00 2.56 O ATOM 0 H GLY A 21 -2.638 11.294 6.099 1.00 1.33 H new ATOM 0 HA2 GLY A 21 -3.884 10.275 4.509 1.00 1.87 H new ATOM 0 HA3 GLY A 21 -3.150 11.253 3.254 1.00 1.87 H new ATOM 316 N TRP A 22 -0.741 9.680 3.879 1.00 0.80 N ATOM 317 CA TRP A 22 0.234 8.648 3.585 1.00 0.60 C ATOM 318 C TRP A 22 1.651 9.131 3.875 1.00 0.47 C ATOM 319 O TRP A 22 1.957 10.316 3.724 1.00 0.57 O ATOM 320 CB TRP A 22 0.125 8.191 2.127 1.00 0.60 C ATOM 321 CG TRP A 22 0.047 9.295 1.108 1.00 0.94 C ATOM 322 CD1 TRP A 22 1.029 10.177 0.773 1.00 1.96 C ATOM 323 CD2 TRP A 22 -1.075 9.614 0.273 1.00 1.26 C ATOM 324 NE1 TRP A 22 0.590 11.027 -0.210 1.00 2.25 N ATOM 325 CE2 TRP A 22 -0.698 10.704 -0.535 1.00 1.73 C ATOM 326 CE3 TRP A 22 -2.361 9.086 0.132 1.00 2.10 C ATOM 327 CZ2 TRP A 22 -1.561 11.272 -1.470 1.00 2.22 C ATOM 328 CZ3 TRP A 22 -3.215 9.651 -0.795 1.00 2.82 C ATOM 329 CH2 TRP A 22 -2.812 10.733 -1.586 1.00 2.65 C ATOM 0 H TRP A 22 -0.330 10.559 4.194 1.00 0.80 H new ATOM 0 HA TRP A 22 0.018 7.800 4.234 1.00 0.60 H new ATOM 0 HB2 TRP A 22 0.987 7.566 1.895 1.00 0.60 H new ATOM 0 HB3 TRP A 22 -0.760 7.563 2.026 1.00 0.60 H new ATOM 0 HD1 TRP A 22 2.013 10.203 1.218 1.00 1.96 H new ATOM 0 HE1 TRP A 22 1.136 11.779 -0.631 1.00 2.25 H new ATOM 0 HE3 TRP A 22 -2.682 8.251 0.737 1.00 2.10 H new ATOM 0 HZ2 TRP A 22 -1.253 12.108 -2.081 1.00 2.22 H new ATOM 0 HZ3 TRP A 22 -4.211 9.251 -0.911 1.00 2.82 H new ATOM 0 HH2 TRP A 22 -3.504 11.151 -2.303 1.00 2.65 H new ATOM 340 N LYS A 23 2.489 8.197 4.321 1.00 0.41 N ATOM 341 CA LYS A 23 3.915 8.428 4.537 1.00 0.39 C ATOM 342 C LYS A 23 4.543 7.152 5.080 1.00 0.37 C ATOM 343 O LYS A 23 3.958 6.487 5.934 1.00 0.39 O ATOM 344 CB LYS A 23 4.151 9.588 5.501 1.00 0.51 C ATOM 345 CG LYS A 23 5.612 9.973 5.637 1.00 0.59 C ATOM 346 CD LYS A 23 5.758 11.362 6.215 1.00 0.70 C ATOM 347 CE LYS A 23 4.987 12.369 5.385 1.00 0.67 C ATOM 348 NZ LYS A 23 5.379 13.763 5.721 1.00 1.23 N ATOM 0 H LYS A 23 2.193 7.247 4.545 1.00 0.41 H new ATOM 0 HA LYS A 23 4.378 8.695 3.587 1.00 0.39 H new ATOM 0 HB2 LYS A 23 3.585 10.455 5.160 1.00 0.51 H new ATOM 0 HB3 LYS A 23 3.761 9.319 6.483 1.00 0.51 H new ATOM 0 HG2 LYS A 23 6.123 9.254 6.278 1.00 0.59 H new ATOM 0 HG3 LYS A 23 6.095 9.929 4.661 1.00 0.59 H new ATOM 0 HD2 LYS A 23 5.394 11.374 7.242 1.00 0.70 H new ATOM 0 HD3 LYS A 23 6.812 11.640 6.247 1.00 0.70 H new ATOM 0 HE2 LYS A 23 5.167 12.184 4.326 1.00 0.67 H new ATOM 0 HE3 LYS A 23 3.918 12.239 5.554 1.00 0.67 H new ATOM 0 HZ1 LYS A 23 4.923 14.421 5.057 1.00 1.23 H new ATOM 0 HZ2 LYS A 23 5.076 13.985 6.691 1.00 1.23 H new ATOM 0 HZ3 LYS A 23 6.412 13.860 5.650 1.00 1.23 H new ATOM 362 N CYS A 24 5.720 6.803 4.570 1.00 0.37 N ATOM 363 CA CYS A 24 6.334 5.530 4.897 1.00 0.40 C ATOM 364 C CYS A 24 6.852 5.482 6.325 1.00 0.48 C ATOM 365 O CYS A 24 7.102 6.515 6.948 1.00 0.57 O ATOM 366 CB CYS A 24 7.462 5.203 3.930 1.00 0.46 C ATOM 367 SG CYS A 24 8.869 6.329 3.962 1.00 0.80 S ATOM 0 H CYS A 24 6.263 7.385 3.931 1.00 0.37 H new ATOM 0 HA CYS A 24 5.550 4.779 4.804 1.00 0.40 H new ATOM 0 HB2 CYS A 24 7.821 4.196 4.146 1.00 0.46 H new ATOM 0 HB3 CYS A 24 7.056 5.187 2.919 1.00 0.46 H new ATOM 372 N ALA A 25 6.994 4.266 6.828 1.00 0.50 N ATOM 373 CA ALA A 25 7.469 4.015 8.179 1.00 0.62 C ATOM 374 C ALA A 25 8.716 4.830 8.529 1.00 0.70 C ATOM 375 O ALA A 25 8.684 5.676 9.423 1.00 0.90 O ATOM 376 CB ALA A 25 7.743 2.530 8.345 1.00 0.72 C ATOM 0 H ALA A 25 6.781 3.417 6.304 1.00 0.50 H new ATOM 0 HA ALA A 25 6.688 4.333 8.870 1.00 0.62 H new ATOM 0 HB1 ALA A 25 8.100 2.337 9.357 1.00 0.72 H new ATOM 0 HB2 ALA A 25 6.825 1.969 8.170 1.00 0.72 H new ATOM 0 HB3 ALA A 25 8.501 2.217 7.627 1.00 0.72 H new ATOM 382 N ARG A 26 9.813 4.573 7.825 1.00 0.72 N ATOM 383 CA ARG A 26 11.087 5.209 8.153 1.00 0.88 C ATOM 384 C ARG A 26 11.207 6.633 7.595 1.00 0.84 C ATOM 385 O ARG A 26 10.990 7.603 8.323 1.00 0.94 O ATOM 386 CB ARG A 26 12.258 4.358 7.683 1.00 1.00 C ATOM 387 CG ARG A 26 12.736 3.331 8.701 1.00 1.18 C ATOM 388 CD ARG A 26 11.685 2.287 9.030 1.00 1.06 C ATOM 389 NE ARG A 26 10.786 2.685 10.117 1.00 1.71 N ATOM 390 CZ ARG A 26 10.049 1.814 10.816 1.00 1.86 C ATOM 391 NH1 ARG A 26 10.203 0.507 10.626 1.00 1.80 N ATOM 392 NH2 ARG A 26 9.179 2.239 11.721 1.00 2.59 N ATOM 0 H ARG A 26 9.848 3.935 7.030 1.00 0.72 H new ATOM 0 HA ARG A 26 11.116 5.289 9.240 1.00 0.88 H new ATOM 0 HB2 ARG A 26 11.971 3.839 6.769 1.00 1.00 H new ATOM 0 HB3 ARG A 26 13.090 5.015 7.429 1.00 1.00 H new ATOM 0 HG2 ARG A 26 13.626 2.833 8.316 1.00 1.18 H new ATOM 0 HG3 ARG A 26 13.029 3.845 9.617 1.00 1.18 H new ATOM 0 HD2 ARG A 26 11.094 2.083 8.137 1.00 1.06 H new ATOM 0 HD3 ARG A 26 12.182 1.356 9.303 1.00 1.06 H new ATOM 0 HE ARG A 26 10.719 3.675 10.352 1.00 1.71 H new ATOM 0 HH11 ARG A 26 10.884 0.167 9.947 1.00 1.80 H new ATOM 0 HH12 ARG A 26 9.640 -0.156 11.160 1.00 1.80 H new ATOM 0 HH21 ARG A 26 9.066 3.239 11.890 1.00 2.59 H new ATOM 0 HH22 ARG A 26 8.622 1.567 12.248 1.00 2.59 H new ATOM 406 N CYS A 27 11.567 6.758 6.311 1.00 0.75 N ATOM 407 CA CYS A 27 11.781 8.073 5.690 1.00 0.75 C ATOM 408 C CYS A 27 10.515 8.932 5.705 1.00 0.75 C ATOM 409 O CYS A 27 9.418 8.447 5.976 1.00 0.85 O ATOM 410 CB CYS A 27 12.273 7.917 4.246 1.00 0.75 C ATOM 411 SG CYS A 27 12.639 6.220 3.757 1.00 0.76 S ATOM 0 H CYS A 27 11.716 5.968 5.683 1.00 0.75 H new ATOM 0 HA CYS A 27 12.541 8.580 6.284 1.00 0.75 H new ATOM 0 HB2 CYS A 27 11.517 8.320 3.573 1.00 0.75 H new ATOM 0 HB3 CYS A 27 13.171 8.521 4.115 1.00 0.75 H new ATOM 416 N ASP A 28 10.676 10.210 5.399 1.00 0.72 N ATOM 417 CA ASP A 28 9.561 11.148 5.411 1.00 0.74 C ATOM 418 C ASP A 28 9.134 11.483 3.987 1.00 0.68 C ATOM 419 O ASP A 28 9.001 12.652 3.618 1.00 0.89 O ATOM 420 CB ASP A 28 9.952 12.423 6.154 1.00 0.86 C ATOM 421 CG ASP A 28 8.756 13.178 6.699 1.00 1.34 C ATOM 422 OD1 ASP A 28 8.154 13.963 5.939 1.00 1.66 O ATOM 423 OD2 ASP A 28 8.403 12.991 7.884 1.00 2.00 O ATOM 0 H ASP A 28 11.571 10.624 5.138 1.00 0.72 H new ATOM 0 HA ASP A 28 8.722 10.682 5.927 1.00 0.74 H new ATOM 0 HB2 ASP A 28 10.620 12.168 6.977 1.00 0.86 H new ATOM 0 HB3 ASP A 28 10.510 13.074 5.480 1.00 0.86 H new ATOM 428 N LEU A 29 8.950 10.453 3.176 1.00 0.53 N ATOM 429 CA LEU A 29 8.480 10.636 1.814 1.00 0.47 C ATOM 430 C LEU A 29 6.973 10.787 1.779 1.00 0.48 C ATOM 431 O LEU A 29 6.260 10.198 2.589 1.00 0.51 O ATOM 432 CB LEU A 29 8.900 9.468 0.930 1.00 0.46 C ATOM 433 CG LEU A 29 10.306 9.570 0.371 1.00 0.48 C ATOM 434 CD1 LEU A 29 10.626 8.328 -0.436 1.00 0.52 C ATOM 435 CD2 LEU A 29 10.432 10.824 -0.476 1.00 0.56 C ATOM 0 H LEU A 29 9.119 9.482 3.438 1.00 0.53 H new ATOM 0 HA LEU A 29 8.935 11.548 1.429 1.00 0.47 H new ATOM 0 HB2 LEU A 29 8.819 8.546 1.506 1.00 0.46 H new ATOM 0 HB3 LEU A 29 8.198 9.388 0.100 1.00 0.46 H new ATOM 0 HG LEU A 29 11.023 9.639 1.189 1.00 0.48 H new ATOM 0 HD11 LEU A 29 11.637 8.405 -0.836 1.00 0.52 H new ATOM 0 HD12 LEU A 29 10.555 7.449 0.205 1.00 0.52 H new ATOM 0 HD13 LEU A 29 9.916 8.235 -1.258 1.00 0.52 H new ATOM 0 HD21 LEU A 29 11.444 10.893 -0.875 1.00 0.56 H new ATOM 0 HD22 LEU A 29 9.719 10.780 -1.299 1.00 0.56 H new ATOM 0 HD23 LEU A 29 10.224 11.700 0.138 1.00 0.56 H new ATOM 447 N ARG A 30 6.497 11.580 0.838 1.00 0.51 N ATOM 448 CA ARG A 30 5.077 11.826 0.698 1.00 0.59 C ATOM 449 C ARG A 30 4.546 11.135 -0.556 1.00 0.60 C ATOM 450 O ARG A 30 3.379 11.285 -0.917 1.00 0.71 O ATOM 451 CB ARG A 30 4.837 13.322 0.595 1.00 0.72 C ATOM 452 CG ARG A 30 5.503 14.109 1.702 1.00 0.94 C ATOM 453 CD ARG A 30 5.332 15.591 1.479 1.00 1.06 C ATOM 454 NE ARG A 30 3.922 15.962 1.376 1.00 2.05 N ATOM 455 CZ ARG A 30 3.447 17.184 1.588 1.00 2.56 C ATOM 456 NH1 ARG A 30 4.265 18.189 1.886 1.00 2.36 N ATOM 457 NH2 ARG A 30 2.143 17.403 1.478 1.00 3.67 N ATOM 0 H ARG A 30 7.078 12.067 0.156 1.00 0.51 H new ATOM 0 HA ARG A 30 4.555 11.428 1.568 1.00 0.59 H new ATOM 0 HB2 ARG A 30 5.206 13.677 -0.367 1.00 0.72 H new ATOM 0 HB3 ARG A 30 3.764 13.514 0.616 1.00 0.72 H new ATOM 0 HG2 ARG A 30 5.073 13.829 2.664 1.00 0.94 H new ATOM 0 HG3 ARG A 30 6.564 13.862 1.743 1.00 0.94 H new ATOM 0 HD2 ARG A 30 5.793 16.138 2.301 1.00 1.06 H new ATOM 0 HD3 ARG A 30 5.853 15.885 0.568 1.00 1.06 H new ATOM 0 HE ARG A 30 3.256 15.231 1.124 1.00 2.05 H new ATOM 0 HH11 ARG A 30 5.270 18.026 1.954 1.00 2.36 H new ATOM 0 HH12 ARG A 30 3.888 19.123 2.047 1.00 2.36 H new ATOM 0 HH21 ARG A 30 1.516 16.637 1.233 1.00 3.67 H new ATOM 0 HH22 ARG A 30 1.767 18.338 1.639 1.00 3.67 H new ATOM 471 N GLU A 31 5.421 10.391 -1.224 1.00 0.55 N ATOM 472 CA GLU A 31 5.080 9.733 -2.480 1.00 0.65 C ATOM 473 C GLU A 31 5.855 8.436 -2.648 1.00 0.55 C ATOM 474 O GLU A 31 6.733 8.119 -1.841 1.00 0.49 O ATOM 475 CB GLU A 31 5.373 10.652 -3.666 1.00 0.81 C ATOM 476 CG GLU A 31 4.133 11.268 -4.293 1.00 1.49 C ATOM 477 CD GLU A 31 3.325 10.264 -5.094 1.00 2.12 C ATOM 478 OE1 GLU A 31 3.728 9.083 -5.160 1.00 2.82 O ATOM 479 OE2 GLU A 31 2.294 10.658 -5.676 1.00 2.41 O ATOM 0 H GLU A 31 6.379 10.228 -0.913 1.00 0.55 H new ATOM 0 HA GLU A 31 4.014 9.506 -2.451 1.00 0.65 H new ATOM 0 HB2 GLU A 31 6.037 11.452 -3.337 1.00 0.81 H new ATOM 0 HB3 GLU A 31 5.909 10.086 -4.427 1.00 0.81 H new ATOM 0 HG2 GLU A 31 3.505 11.691 -3.509 1.00 1.49 H new ATOM 0 HG3 GLU A 31 4.430 12.091 -4.943 1.00 1.49 H new ATOM 486 N ASN A 32 5.536 7.717 -3.725 1.00 0.60 N ATOM 487 CA ASN A 32 6.116 6.401 -4.006 1.00 0.61 C ATOM 488 C ASN A 32 5.955 5.485 -2.806 1.00 0.50 C ATOM 489 O ASN A 32 6.867 4.736 -2.450 1.00 0.54 O ATOM 490 CB ASN A 32 7.598 6.512 -4.385 1.00 0.69 C ATOM 491 CG ASN A 32 7.802 7.131 -5.751 1.00 1.23 C ATOM 492 OD1 ASN A 32 7.822 6.436 -6.767 1.00 1.82 O ATOM 493 ND2 ASN A 32 7.974 8.442 -5.785 1.00 2.01 N ATOM 0 H ASN A 32 4.867 8.030 -4.429 1.00 0.60 H new ATOM 0 HA ASN A 32 5.580 5.977 -4.855 1.00 0.61 H new ATOM 0 HB2 ASN A 32 8.117 7.111 -3.637 1.00 0.69 H new ATOM 0 HB3 ASN A 32 8.049 5.520 -4.368 1.00 0.69 H new ATOM 0 HD21 ASN A 32 8.130 8.913 -6.676 1.00 2.01 H new ATOM 0 HD22 ASN A 32 7.950 8.982 -4.920 1.00 2.01 H new ATOM 500 N LEU A 33 4.791 5.557 -2.186 1.00 0.41 N ATOM 501 CA LEU A 33 4.534 4.809 -0.974 1.00 0.32 C ATOM 502 C LEU A 33 3.690 3.580 -1.258 1.00 0.30 C ATOM 503 O LEU A 33 2.879 3.569 -2.183 1.00 0.34 O ATOM 504 CB LEU A 33 3.824 5.689 0.050 1.00 0.31 C ATOM 505 CG LEU A 33 4.533 6.999 0.382 1.00 0.34 C ATOM 506 CD1 LEU A 33 3.560 7.960 1.027 1.00 0.39 C ATOM 507 CD2 LEU A 33 5.708 6.761 1.312 1.00 0.32 C ATOM 0 H LEU A 33 4.008 6.128 -2.505 1.00 0.41 H new ATOM 0 HA LEU A 33 5.494 4.486 -0.572 1.00 0.32 H new ATOM 0 HB2 LEU A 33 2.825 5.919 -0.322 1.00 0.31 H new ATOM 0 HB3 LEU A 33 3.698 5.119 0.970 1.00 0.31 H new ATOM 0 HG LEU A 33 4.910 7.428 -0.546 1.00 0.34 H new ATOM 0 HD11 LEU A 33 4.072 8.893 1.262 1.00 0.39 H new ATOM 0 HD12 LEU A 33 2.737 8.160 0.341 1.00 0.39 H new ATOM 0 HD13 LEU A 33 3.168 7.520 1.944 1.00 0.39 H new ATOM 0 HD21 LEU A 33 6.196 7.711 1.533 1.00 0.32 H new ATOM 0 HD22 LEU A 33 5.353 6.311 2.239 1.00 0.32 H new ATOM 0 HD23 LEU A 33 6.421 6.090 0.833 1.00 0.32 H new ATOM 519 N TRP A 34 3.882 2.556 -0.451 1.00 0.28 N ATOM 520 CA TRP A 34 3.117 1.331 -0.566 1.00 0.28 C ATOM 521 C TRP A 34 2.382 1.032 0.730 1.00 0.27 C ATOM 522 O TRP A 34 2.993 0.724 1.749 1.00 0.31 O ATOM 523 CB TRP A 34 4.022 0.160 -0.942 1.00 0.32 C ATOM 524 CG TRP A 34 4.416 0.151 -2.384 1.00 0.57 C ATOM 525 CD1 TRP A 34 3.573 0.105 -3.456 1.00 1.79 C ATOM 526 CD2 TRP A 34 5.744 0.168 -2.916 1.00 0.53 C ATOM 527 NE1 TRP A 34 4.295 0.102 -4.623 1.00 1.85 N ATOM 528 CE2 TRP A 34 5.630 0.138 -4.319 1.00 0.73 C ATOM 529 CE3 TRP A 34 7.019 0.207 -2.344 1.00 1.77 C ATOM 530 CZ2 TRP A 34 6.742 0.147 -5.156 1.00 0.67 C ATOM 531 CZ3 TRP A 34 8.120 0.214 -3.177 1.00 2.25 C ATOM 532 CH2 TRP A 34 7.976 0.186 -4.569 1.00 1.47 C ATOM 0 H TRP A 34 4.571 2.549 0.301 1.00 0.28 H new ATOM 0 HA TRP A 34 2.381 1.467 -1.358 1.00 0.28 H new ATOM 0 HB2 TRP A 34 4.922 0.194 -0.328 1.00 0.32 H new ATOM 0 HB3 TRP A 34 3.511 -0.774 -0.707 1.00 0.32 H new ATOM 0 HD1 TRP A 34 2.495 0.075 -3.395 1.00 1.79 H new ATOM 0 HE1 TRP A 34 3.901 0.077 -5.564 1.00 1.85 H new ATOM 0 HE3 TRP A 34 7.140 0.231 -1.271 1.00 1.77 H new ATOM 0 HZ2 TRP A 34 6.634 0.124 -6.230 1.00 0.67 H new ATOM 0 HZ3 TRP A 34 9.110 0.242 -2.747 1.00 2.25 H new ATOM 0 HH2 TRP A 34 8.858 0.195 -5.192 1.00 1.47 H new ATOM 543 N LEU A 35 1.069 1.145 0.675 1.00 0.25 N ATOM 544 CA LEU A 35 0.211 0.868 1.811 1.00 0.26 C ATOM 545 C LEU A 35 -0.153 -0.611 1.806 1.00 0.27 C ATOM 546 O LEU A 35 -1.009 -1.036 1.032 1.00 0.29 O ATOM 547 CB LEU A 35 -1.054 1.725 1.696 1.00 0.28 C ATOM 548 CG LEU A 35 -1.838 2.001 2.984 1.00 0.32 C ATOM 549 CD1 LEU A 35 -3.097 2.776 2.642 1.00 0.36 C ATOM 550 CD2 LEU A 35 -2.195 0.726 3.729 1.00 0.32 C ATOM 0 H LEU A 35 0.565 1.433 -0.164 1.00 0.25 H new ATOM 0 HA LEU A 35 0.723 1.107 2.743 1.00 0.26 H new ATOM 0 HB2 LEU A 35 -0.773 2.684 1.261 1.00 0.28 H new ATOM 0 HB3 LEU A 35 -1.727 1.239 0.989 1.00 0.28 H new ATOM 0 HG LEU A 35 -1.201 2.587 3.647 1.00 0.32 H new ATOM 0 HD11 LEU A 35 -3.660 2.976 3.554 1.00 0.36 H new ATOM 0 HD12 LEU A 35 -2.826 3.720 2.168 1.00 0.36 H new ATOM 0 HD13 LEU A 35 -3.711 2.190 1.958 1.00 0.36 H new ATOM 0 HD21 LEU A 35 -2.749 0.976 4.634 1.00 0.32 H new ATOM 0 HD22 LEU A 35 -2.810 0.091 3.091 1.00 0.32 H new ATOM 0 HD23 LEU A 35 -1.282 0.194 3.998 1.00 0.32 H new ATOM 562 N ASN A 36 0.486 -1.381 2.672 1.00 0.28 N ATOM 563 CA ASN A 36 0.274 -2.822 2.726 1.00 0.30 C ATOM 564 C ASN A 36 -1.184 -3.173 2.995 1.00 0.30 C ATOM 565 O ASN A 36 -1.857 -2.530 3.802 1.00 0.35 O ATOM 566 CB ASN A 36 1.184 -3.435 3.788 1.00 0.37 C ATOM 567 CG ASN A 36 2.537 -3.827 3.223 1.00 0.83 C ATOM 568 OD1 ASN A 36 2.734 -4.960 2.785 1.00 1.62 O ATOM 569 ND2 ASN A 36 3.483 -2.900 3.234 1.00 1.44 N ATOM 0 H ASN A 36 1.161 -1.031 3.352 1.00 0.28 H new ATOM 0 HA ASN A 36 0.526 -3.239 1.751 1.00 0.30 H new ATOM 0 HB2 ASN A 36 1.324 -2.722 4.601 1.00 0.37 H new ATOM 0 HB3 ASN A 36 0.701 -4.314 4.215 1.00 0.37 H new ATOM 0 HD21 ASN A 36 4.412 -3.115 2.871 1.00 1.44 H new ATOM 0 HD22 ASN A 36 3.283 -1.971 3.605 1.00 1.44 H new ATOM 576 N LEU A 37 -1.660 -4.200 2.297 1.00 0.28 N ATOM 577 CA LEU A 37 -3.066 -4.592 2.339 1.00 0.31 C ATOM 578 C LEU A 37 -3.410 -5.279 3.644 1.00 0.33 C ATOM 579 O LEU A 37 -4.582 -5.464 3.972 1.00 0.40 O ATOM 580 CB LEU A 37 -3.404 -5.518 1.164 1.00 0.33 C ATOM 581 CG LEU A 37 -3.762 -4.818 -0.150 1.00 0.41 C ATOM 582 CD1 LEU A 37 -5.212 -4.376 -0.126 1.00 0.59 C ATOM 583 CD2 LEU A 37 -2.864 -3.622 -0.390 1.00 0.54 C ATOM 0 H LEU A 37 -1.085 -4.782 1.688 1.00 0.28 H new ATOM 0 HA LEU A 37 -3.661 -3.682 2.262 1.00 0.31 H new ATOM 0 HB2 LEU A 37 -2.552 -6.174 0.985 1.00 0.33 H new ATOM 0 HB3 LEU A 37 -4.240 -6.154 1.455 1.00 0.33 H new ATOM 0 HG LEU A 37 -3.614 -5.528 -0.964 1.00 0.41 H new ATOM 0 HD11 LEU A 37 -5.457 -3.879 -1.065 1.00 0.59 H new ATOM 0 HD12 LEU A 37 -5.856 -5.246 0.003 1.00 0.59 H new ATOM 0 HD13 LEU A 37 -5.368 -3.684 0.702 1.00 0.59 H new ATOM 0 HD21 LEU A 37 -3.139 -3.143 -1.330 1.00 0.54 H new ATOM 0 HD22 LEU A 37 -2.979 -2.910 0.428 1.00 0.54 H new ATOM 0 HD23 LEU A 37 -1.826 -3.951 -0.441 1.00 0.54 H new ATOM 595 N THR A 38 -2.388 -5.635 4.391 1.00 0.32 N ATOM 596 CA THR A 38 -2.581 -6.377 5.616 1.00 0.37 C ATOM 597 C THR A 38 -2.447 -5.481 6.845 1.00 0.35 C ATOM 598 O THR A 38 -3.445 -5.013 7.392 1.00 0.40 O ATOM 599 CB THR A 38 -1.588 -7.555 5.710 1.00 0.43 C ATOM 600 OG1 THR A 38 -1.764 -8.421 4.583 1.00 0.53 O ATOM 601 CG2 THR A 38 -1.787 -8.346 6.995 1.00 0.48 C ATOM 0 H THR A 38 -1.415 -5.422 4.171 1.00 0.32 H new ATOM 0 HA THR A 38 -3.596 -6.773 5.595 1.00 0.37 H new ATOM 0 HB THR A 38 -0.577 -7.148 5.714 1.00 0.43 H new ATOM 0 HG1 THR A 38 -2.708 -8.674 4.509 1.00 0.53 H new ATOM 0 HG21 THR A 38 -1.072 -9.168 7.030 1.00 0.48 H new ATOM 0 HG22 THR A 38 -1.630 -7.692 7.853 1.00 0.48 H new ATOM 0 HG23 THR A 38 -2.801 -8.745 7.023 1.00 0.48 H new ATOM 609 N ASP A 39 -1.214 -5.202 7.236 1.00 0.34 N ATOM 610 CA ASP A 39 -0.934 -4.610 8.538 1.00 0.36 C ATOM 611 C ASP A 39 -0.896 -3.081 8.476 1.00 0.32 C ATOM 612 O ASP A 39 -0.598 -2.417 9.469 1.00 0.48 O ATOM 613 CB ASP A 39 0.388 -5.183 9.069 1.00 0.45 C ATOM 614 CG ASP A 39 1.594 -4.757 8.245 1.00 0.95 C ATOM 615 OD1 ASP A 39 1.423 -4.433 7.049 1.00 1.44 O ATOM 616 OD2 ASP A 39 2.725 -4.768 8.776 1.00 1.32 O ATOM 0 H ASP A 39 -0.385 -5.377 6.668 1.00 0.34 H new ATOM 0 HA ASP A 39 -1.742 -4.866 9.223 1.00 0.36 H new ATOM 0 HB2 ASP A 39 0.528 -4.862 10.101 1.00 0.45 H new ATOM 0 HB3 ASP A 39 0.328 -6.271 9.079 1.00 0.45 H new ATOM 621 N GLY A 40 -1.213 -2.536 7.307 1.00 0.28 N ATOM 622 CA GLY A 40 -1.264 -1.091 7.132 1.00 0.27 C ATOM 623 C GLY A 40 0.101 -0.448 7.147 1.00 0.29 C ATOM 624 O GLY A 40 0.216 0.764 7.333 1.00 0.39 O ATOM 0 H GLY A 40 -1.438 -3.072 6.469 1.00 0.28 H new ATOM 0 HA2 GLY A 40 -1.757 -0.862 6.187 1.00 0.27 H new ATOM 0 HA3 GLY A 40 -1.874 -0.656 7.924 1.00 0.27 H new ATOM 628 N SER A 41 1.140 -1.245 6.948 1.00 0.29 N ATOM 629 CA SER A 41 2.485 -0.707 6.909 1.00 0.38 C ATOM 630 C SER A 41 2.699 0.072 5.618 1.00 0.32 C ATOM 631 O SER A 41 2.808 -0.500 4.530 1.00 0.32 O ATOM 632 CB SER A 41 3.526 -1.818 7.056 1.00 0.51 C ATOM 633 OG SER A 41 3.275 -2.882 6.160 1.00 0.93 O ATOM 0 H SER A 41 1.077 -2.254 6.813 1.00 0.29 H new ATOM 0 HA SER A 41 2.609 -0.026 7.751 1.00 0.38 H new ATOM 0 HB2 SER A 41 4.521 -1.413 6.872 1.00 0.51 H new ATOM 0 HB3 SER A 41 3.518 -2.193 8.080 1.00 0.51 H new ATOM 0 HG SER A 41 3.134 -3.709 6.666 1.00 0.93 H new ATOM 639 N VAL A 42 2.713 1.384 5.749 1.00 0.32 N ATOM 640 CA VAL A 42 2.969 2.260 4.625 1.00 0.28 C ATOM 641 C VAL A 42 4.467 2.382 4.411 1.00 0.29 C ATOM 642 O VAL A 42 5.204 2.802 5.300 1.00 0.35 O ATOM 643 CB VAL A 42 2.364 3.663 4.840 1.00 0.28 C ATOM 644 CG1 VAL A 42 2.645 4.554 3.642 1.00 0.26 C ATOM 645 CG2 VAL A 42 0.868 3.571 5.099 1.00 0.31 C ATOM 0 H VAL A 42 2.548 1.869 6.631 1.00 0.32 H new ATOM 0 HA VAL A 42 2.495 1.824 3.746 1.00 0.28 H new ATOM 0 HB VAL A 42 2.835 4.107 5.717 1.00 0.28 H new ATOM 0 HG11 VAL A 42 2.211 5.539 3.812 1.00 0.26 H new ATOM 0 HG12 VAL A 42 3.722 4.651 3.505 1.00 0.26 H new ATOM 0 HG13 VAL A 42 2.204 4.112 2.748 1.00 0.26 H new ATOM 0 HG21 VAL A 42 0.462 4.572 5.248 1.00 0.31 H new ATOM 0 HG22 VAL A 42 0.379 3.104 4.244 1.00 0.31 H new ATOM 0 HG23 VAL A 42 0.689 2.971 5.991 1.00 0.31 H new ATOM 655 N LEU A 43 4.915 1.977 3.244 1.00 0.28 N ATOM 656 CA LEU A 43 6.329 1.960 2.940 1.00 0.33 C ATOM 657 C LEU A 43 6.613 2.808 1.719 1.00 0.30 C ATOM 658 O LEU A 43 5.740 3.526 1.264 1.00 0.29 O ATOM 659 CB LEU A 43 6.764 0.521 2.722 1.00 0.44 C ATOM 660 CG LEU A 43 6.457 -0.402 3.901 1.00 0.51 C ATOM 661 CD1 LEU A 43 6.953 -1.806 3.613 1.00 0.63 C ATOM 662 CD2 LEU A 43 7.070 0.142 5.190 1.00 0.54 C ATOM 0 H LEU A 43 4.316 1.653 2.485 1.00 0.28 H new ATOM 0 HA LEU A 43 6.895 2.381 3.771 1.00 0.33 H new ATOM 0 HB2 LEU A 43 6.270 0.133 1.831 1.00 0.44 H new ATOM 0 HB3 LEU A 43 7.836 0.501 2.527 1.00 0.44 H new ATOM 0 HG LEU A 43 5.376 -0.442 4.038 1.00 0.51 H new ATOM 0 HD11 LEU A 43 6.728 -2.453 4.461 1.00 0.63 H new ATOM 0 HD12 LEU A 43 6.458 -2.191 2.722 1.00 0.63 H new ATOM 0 HD13 LEU A 43 8.030 -1.785 3.449 1.00 0.63 H new ATOM 0 HD21 LEU A 43 6.839 -0.531 6.015 1.00 0.54 H new ATOM 0 HD22 LEU A 43 8.151 0.217 5.075 1.00 0.54 H new ATOM 0 HD23 LEU A 43 6.658 1.129 5.400 1.00 0.54 H new ATOM 674 N CYS A 44 7.829 2.745 1.205 1.00 0.40 N ATOM 675 CA CYS A 44 8.197 3.532 0.042 1.00 0.46 C ATOM 676 C CYS A 44 9.209 2.767 -0.799 1.00 0.61 C ATOM 677 O CYS A 44 9.751 1.747 -0.352 1.00 0.71 O ATOM 678 CB CYS A 44 8.797 4.875 0.468 1.00 0.52 C ATOM 679 SG CYS A 44 10.519 4.760 1.021 1.00 0.71 S ATOM 0 H CYS A 44 8.577 2.158 1.574 1.00 0.40 H new ATOM 0 HA CYS A 44 7.299 3.720 -0.547 1.00 0.46 H new ATOM 0 HB2 CYS A 44 8.739 5.571 -0.369 1.00 0.52 H new ATOM 0 HB3 CYS A 44 8.193 5.294 1.273 1.00 0.52 H new ATOM 684 N GLY A 45 9.455 3.260 -2.002 1.00 0.68 N ATOM 685 CA GLY A 45 10.457 2.672 -2.865 1.00 0.87 C ATOM 686 C GLY A 45 11.051 3.697 -3.810 1.00 1.23 C ATOM 687 O GLY A 45 10.444 4.038 -4.826 1.00 2.12 O ATOM 0 H GLY A 45 8.973 4.066 -2.400 1.00 0.68 H new ATOM 0 HA2 GLY A 45 11.249 2.234 -2.258 1.00 0.87 H new ATOM 0 HA3 GLY A 45 10.011 1.861 -3.441 1.00 0.87 H new ATOM 691 N LYS A 46 12.224 4.206 -3.467 1.00 1.63 N ATOM 692 CA LYS A 46 12.879 5.215 -4.280 1.00 2.41 C ATOM 693 C LYS A 46 13.805 4.549 -5.289 1.00 2.38 C ATOM 694 O LYS A 46 14.525 3.606 -4.958 1.00 2.93 O ATOM 695 CB LYS A 46 13.669 6.176 -3.388 1.00 3.41 C ATOM 696 CG LYS A 46 14.008 7.499 -4.056 1.00 4.32 C ATOM 697 CD LYS A 46 12.752 8.312 -4.337 1.00 5.11 C ATOM 698 CE LYS A 46 13.077 9.629 -5.021 1.00 5.83 C ATOM 699 NZ LYS A 46 13.876 10.534 -4.150 1.00 6.44 N ATOM 0 H LYS A 46 12.741 3.936 -2.630 1.00 1.63 H new ATOM 0 HA LYS A 46 12.122 5.783 -4.820 1.00 2.41 H new ATOM 0 HB2 LYS A 46 13.093 6.374 -2.484 1.00 3.41 H new ATOM 0 HB3 LYS A 46 14.594 5.690 -3.077 1.00 3.41 H new ATOM 0 HG2 LYS A 46 14.679 8.071 -3.415 1.00 4.32 H new ATOM 0 HG3 LYS A 46 14.540 7.313 -4.989 1.00 4.32 H new ATOM 0 HD2 LYS A 46 12.076 7.732 -4.966 1.00 5.11 H new ATOM 0 HD3 LYS A 46 12.228 8.507 -3.401 1.00 5.11 H new ATOM 0 HE2 LYS A 46 13.629 9.432 -5.940 1.00 5.83 H new ATOM 0 HE3 LYS A 46 12.150 10.127 -5.306 1.00 5.83 H new ATOM 0 HZ1 LYS A 46 13.944 11.472 -4.594 1.00 6.44 H new ATOM 0 HZ2 LYS A 46 13.412 10.622 -3.223 1.00 6.44 H new ATOM 0 HZ3 LYS A 46 14.830 10.141 -4.024 1.00 6.44 H new ATOM 713 N TRP A 47 13.770 5.025 -6.525 1.00 2.40 N ATOM 714 CA TRP A 47 14.594 4.455 -7.580 1.00 2.90 C ATOM 715 C TRP A 47 15.905 5.223 -7.712 1.00 3.16 C ATOM 716 O TRP A 47 16.894 4.701 -8.219 1.00 3.82 O ATOM 717 CB TRP A 47 13.832 4.469 -8.909 1.00 3.59 C ATOM 718 CG TRP A 47 14.474 3.628 -9.974 1.00 3.94 C ATOM 719 CD1 TRP A 47 14.648 2.275 -9.945 1.00 4.43 C ATOM 720 CD2 TRP A 47 15.018 4.078 -11.223 1.00 4.46 C ATOM 721 NE1 TRP A 47 15.266 1.852 -11.095 1.00 5.12 N ATOM 722 CE2 TRP A 47 15.503 2.938 -11.897 1.00 5.13 C ATOM 723 CE3 TRP A 47 15.142 5.328 -11.839 1.00 4.85 C ATOM 724 CZ2 TRP A 47 16.101 3.015 -13.153 1.00 6.00 C ATOM 725 CZ3 TRP A 47 15.735 5.401 -13.085 1.00 5.76 C ATOM 726 CH2 TRP A 47 16.207 4.249 -13.731 1.00 6.25 C ATOM 0 H TRP A 47 13.181 5.803 -6.821 1.00 2.40 H new ATOM 0 HA TRP A 47 14.827 3.423 -7.319 1.00 2.90 H new ATOM 0 HB2 TRP A 47 12.815 4.114 -8.740 1.00 3.59 H new ATOM 0 HB3 TRP A 47 13.756 5.497 -9.265 1.00 3.59 H new ATOM 0 HD1 TRP A 47 14.343 1.630 -9.134 1.00 4.43 H new ATOM 0 HE1 TRP A 47 15.509 0.887 -11.317 1.00 5.12 H new ATOM 0 HE3 TRP A 47 14.781 6.220 -11.349 1.00 4.85 H new ATOM 0 HZ2 TRP A 47 16.468 2.131 -13.652 1.00 6.00 H new ATOM 0 HZ3 TRP A 47 15.837 6.361 -13.569 1.00 5.76 H new ATOM 0 HH2 TRP A 47 16.664 4.339 -14.706 1.00 6.25 H new ATOM 737 N PHE A 48 15.907 6.463 -7.239 1.00 3.23 N ATOM 738 CA PHE A 48 17.088 7.311 -7.327 1.00 3.94 C ATOM 739 C PHE A 48 17.910 7.214 -6.046 1.00 3.98 C ATOM 740 O PHE A 48 17.409 7.489 -4.954 1.00 4.37 O ATOM 741 CB PHE A 48 16.687 8.765 -7.584 1.00 4.71 C ATOM 742 CG PHE A 48 15.890 8.963 -8.844 1.00 5.10 C ATOM 743 CD1 PHE A 48 16.486 8.812 -10.084 1.00 5.41 C ATOM 744 CD2 PHE A 48 14.546 9.292 -8.785 1.00 5.51 C ATOM 745 CE1 PHE A 48 15.757 8.988 -11.244 1.00 6.04 C ATOM 746 CE2 PHE A 48 13.811 9.468 -9.941 1.00 6.19 C ATOM 747 CZ PHE A 48 14.418 9.338 -11.170 1.00 6.43 C ATOM 0 H PHE A 48 15.104 6.903 -6.791 1.00 3.23 H new ATOM 0 HA PHE A 48 17.697 6.964 -8.162 1.00 3.94 H new ATOM 0 HB2 PHE A 48 16.104 9.126 -6.737 1.00 4.71 H new ATOM 0 HB3 PHE A 48 17.588 9.377 -7.635 1.00 4.71 H new ATOM 0 HD1 PHE A 48 17.533 8.554 -10.145 1.00 5.41 H new ATOM 0 HD2 PHE A 48 14.067 9.412 -7.824 1.00 5.51 H new ATOM 0 HE1 PHE A 48 16.229 8.853 -12.206 1.00 6.04 H new ATOM 0 HE2 PHE A 48 12.760 9.708 -9.881 1.00 6.19 H new ATOM 0 HZ PHE A 48 13.852 9.508 -12.074 1.00 6.43 H new ATOM 757 N PHE A 49 19.170 6.827 -6.191 1.00 4.01 N ATOM 758 CA PHE A 49 20.064 6.658 -5.054 1.00 4.29 C ATOM 759 C PHE A 49 20.620 8.008 -4.618 1.00 4.03 C ATOM 760 O PHE A 49 20.858 8.880 -5.455 1.00 4.43 O ATOM 761 CB PHE A 49 21.207 5.700 -5.424 1.00 5.23 C ATOM 762 CG PHE A 49 22.190 5.459 -4.312 1.00 5.92 C ATOM 763 CD1 PHE A 49 21.869 4.621 -3.255 1.00 6.27 C ATOM 764 CD2 PHE A 49 23.435 6.069 -4.323 1.00 6.52 C ATOM 765 CE1 PHE A 49 22.770 4.398 -2.231 1.00 7.24 C ATOM 766 CE2 PHE A 49 24.340 5.849 -3.303 1.00 7.39 C ATOM 767 CZ PHE A 49 24.008 5.011 -2.256 1.00 7.76 C ATOM 0 H PHE A 49 19.599 6.623 -7.094 1.00 4.01 H new ATOM 0 HA PHE A 49 19.504 6.230 -4.222 1.00 4.29 H new ATOM 0 HB2 PHE A 49 20.781 4.745 -5.731 1.00 5.23 H new ATOM 0 HB3 PHE A 49 21.740 6.103 -6.285 1.00 5.23 H new ATOM 0 HD1 PHE A 49 20.904 4.137 -3.232 1.00 6.27 H new ATOM 0 HD2 PHE A 49 23.701 6.724 -5.139 1.00 6.52 H new ATOM 0 HE1 PHE A 49 22.507 3.745 -1.412 1.00 7.24 H new ATOM 0 HE2 PHE A 49 25.306 6.331 -3.324 1.00 7.39 H new ATOM 0 HZ PHE A 49 24.715 4.835 -1.459 1.00 7.76 H new ATOM 777 N ASP A 50 20.786 8.177 -3.301 1.00 3.84 N ATOM 778 CA ASP A 50 21.358 9.399 -2.710 1.00 4.03 C ATOM 779 C ASP A 50 20.361 10.560 -2.737 1.00 3.49 C ATOM 780 O ASP A 50 20.537 11.565 -2.049 1.00 3.96 O ATOM 781 CB ASP A 50 22.663 9.793 -3.423 1.00 4.77 C ATOM 782 CG ASP A 50 23.274 11.071 -2.879 1.00 5.24 C ATOM 783 OD1 ASP A 50 23.882 11.026 -1.791 1.00 5.68 O ATOM 784 OD2 ASP A 50 23.164 12.125 -3.546 1.00 5.52 O ATOM 0 H ASP A 50 20.528 7.471 -2.611 1.00 3.84 H new ATOM 0 HA ASP A 50 21.584 9.180 -1.666 1.00 4.03 H new ATOM 0 HB2 ASP A 50 23.384 8.981 -3.324 1.00 4.77 H new ATOM 0 HB3 ASP A 50 22.466 9.916 -4.488 1.00 4.77 H new ATOM 789 N SER A 51 19.300 10.402 -3.507 1.00 2.95 N ATOM 790 CA SER A 51 18.312 11.451 -3.670 1.00 2.87 C ATOM 791 C SER A 51 17.369 11.522 -2.470 1.00 2.57 C ATOM 792 O SER A 51 16.271 10.950 -2.496 1.00 3.12 O ATOM 793 CB SER A 51 17.522 11.214 -4.953 1.00 3.44 C ATOM 794 OG SER A 51 18.390 11.095 -6.068 1.00 4.15 O ATOM 0 H SER A 51 19.100 9.551 -4.032 1.00 2.95 H new ATOM 0 HA SER A 51 18.833 12.406 -3.735 1.00 2.87 H new ATOM 0 HB2 SER A 51 16.924 10.308 -4.854 1.00 3.44 H new ATOM 0 HB3 SER A 51 16.827 12.038 -5.114 1.00 3.44 H new ATOM 0 HG SER A 51 17.933 11.415 -6.874 1.00 4.15 H new ATOM 800 N SER A 52 17.826 12.216 -1.426 1.00 2.29 N ATOM 801 CA SER A 52 17.036 12.483 -0.222 1.00 2.37 C ATOM 802 C SER A 52 16.875 11.231 0.648 1.00 1.79 C ATOM 803 O SER A 52 17.456 11.143 1.732 1.00 2.13 O ATOM 804 CB SER A 52 15.668 13.069 -0.594 1.00 3.06 C ATOM 805 OG SER A 52 15.813 14.236 -1.391 1.00 3.81 O ATOM 0 H SER A 52 18.765 12.613 -1.392 1.00 2.29 H new ATOM 0 HA SER A 52 17.581 13.218 0.370 1.00 2.37 H new ATOM 0 HB2 SER A 52 15.085 12.324 -1.136 1.00 3.06 H new ATOM 0 HB3 SER A 52 15.113 13.310 0.313 1.00 3.06 H new ATOM 0 HG SER A 52 14.928 14.590 -1.617 1.00 3.81 H new ATOM 811 N GLY A 53 16.104 10.266 0.171 1.00 1.40 N ATOM 812 CA GLY A 53 15.847 9.070 0.947 1.00 1.25 C ATOM 813 C GLY A 53 15.090 8.030 0.157 1.00 1.07 C ATOM 814 O GLY A 53 15.419 7.767 -1.000 1.00 1.28 O ATOM 0 H GLY A 53 15.650 10.290 -0.742 1.00 1.40 H new ATOM 0 HA2 GLY A 53 16.793 8.649 1.286 1.00 1.25 H new ATOM 0 HA3 GLY A 53 15.277 9.333 1.838 1.00 1.25 H new ATOM 818 N GLY A 54 14.076 7.443 0.774 1.00 0.86 N ATOM 819 CA GLY A 54 13.268 6.460 0.084 1.00 0.86 C ATOM 820 C GLY A 54 13.806 5.048 0.201 1.00 0.91 C ATOM 821 O GLY A 54 13.866 4.321 -0.787 1.00 1.55 O ATOM 0 H GLY A 54 13.799 7.629 1.738 1.00 0.86 H new ATOM 0 HA2 GLY A 54 12.254 6.489 0.484 1.00 0.86 H new ATOM 0 HA3 GLY A 54 13.203 6.730 -0.970 1.00 0.86 H new ATOM 825 N ASN A 55 14.190 4.663 1.411 1.00 0.89 N ATOM 826 CA ASN A 55 14.642 3.300 1.680 1.00 0.87 C ATOM 827 C ASN A 55 13.568 2.291 1.296 1.00 1.01 C ATOM 828 O ASN A 55 12.417 2.408 1.730 1.00 1.21 O ATOM 829 CB ASN A 55 14.996 3.144 3.158 1.00 0.83 C ATOM 830 CG ASN A 55 16.278 3.863 3.529 1.00 1.45 C ATOM 831 OD1 ASN A 55 16.278 5.064 3.797 1.00 2.39 O ATOM 832 ND2 ASN A 55 17.374 3.128 3.569 1.00 1.63 N ATOM 0 H ASN A 55 14.198 5.276 2.226 1.00 0.89 H new ATOM 0 HA ASN A 55 15.530 3.109 1.078 1.00 0.87 H new ATOM 0 HB2 ASN A 55 14.178 3.530 3.766 1.00 0.83 H new ATOM 0 HB3 ASN A 55 15.096 2.085 3.394 1.00 0.83 H new ATOM 0 HD21 ASN A 55 18.264 3.553 3.830 1.00 1.63 H new ATOM 0 HD22 ASN A 55 17.331 2.135 3.339 1.00 1.63 H new ATOM 839 N GLY A 56 13.946 1.320 0.470 1.00 1.23 N ATOM 840 CA GLY A 56 13.008 0.310 0.010 1.00 1.44 C ATOM 841 C GLY A 56 12.590 -0.638 1.117 1.00 1.14 C ATOM 842 O GLY A 56 13.213 -1.680 1.324 1.00 1.07 O ATOM 0 H GLY A 56 14.894 1.214 0.108 1.00 1.23 H new ATOM 0 HA2 GLY A 56 12.124 0.799 -0.399 1.00 1.44 H new ATOM 0 HA3 GLY A 56 13.461 -0.260 -0.801 1.00 1.44 H new ATOM 846 N HIS A 57 11.528 -0.274 1.824 1.00 1.06 N ATOM 847 CA HIS A 57 11.072 -1.043 2.978 1.00 0.77 C ATOM 848 C HIS A 57 10.348 -2.304 2.553 1.00 0.66 C ATOM 849 O HIS A 57 10.200 -3.220 3.345 1.00 0.55 O ATOM 850 CB HIS A 57 10.139 -0.240 3.879 1.00 0.68 C ATOM 851 CG HIS A 57 10.564 1.166 4.128 1.00 0.72 C ATOM 852 ND1 HIS A 57 11.765 1.519 4.695 1.00 1.73 N ATOM 853 CD2 HIS A 57 9.906 2.323 3.870 1.00 0.82 C ATOM 854 CE1 HIS A 57 11.801 2.857 4.762 1.00 1.92 C ATOM 855 NE2 HIS A 57 10.690 3.384 4.278 1.00 1.19 N ATOM 0 H HIS A 57 10.964 0.551 1.619 1.00 1.06 H new ATOM 0 HA HIS A 57 11.973 -1.299 3.535 1.00 0.77 H new ATOM 0 HB2 HIS A 57 9.145 -0.230 3.431 1.00 0.68 H new ATOM 0 HB3 HIS A 57 10.052 -0.753 4.837 1.00 0.68 H new ATOM 0 HD1 HIS A 57 12.496 0.880 5.008 1.00 1.73 H new ATOM 0 HD2 HIS A 57 8.928 2.402 3.419 1.00 0.82 H new ATOM 0 HE1 HIS A 57 12.627 3.428 5.159 1.00 1.92 H new ATOM 863 N ALA A 58 9.839 -2.325 1.329 1.00 0.78 N ATOM 864 CA ALA A 58 9.077 -3.473 0.845 1.00 0.75 C ATOM 865 C ALA A 58 9.855 -4.775 1.037 1.00 0.66 C ATOM 866 O ALA A 58 9.284 -5.799 1.410 1.00 0.54 O ATOM 867 CB ALA A 58 8.709 -3.282 -0.616 1.00 0.97 C ATOM 0 H ALA A 58 9.938 -1.566 0.655 1.00 0.78 H new ATOM 0 HA ALA A 58 8.161 -3.543 1.432 1.00 0.75 H new ATOM 0 HB1 ALA A 58 8.141 -4.145 -0.964 1.00 0.97 H new ATOM 0 HB2 ALA A 58 8.104 -2.382 -0.724 1.00 0.97 H new ATOM 0 HB3 ALA A 58 9.617 -3.182 -1.210 1.00 0.97 H new ATOM 873 N LEU A 59 11.162 -4.715 0.802 1.00 0.78 N ATOM 874 CA LEU A 59 12.043 -5.857 1.039 1.00 0.79 C ATOM 875 C LEU A 59 12.079 -6.161 2.525 1.00 0.66 C ATOM 876 O LEU A 59 11.922 -7.304 2.954 1.00 0.63 O ATOM 877 CB LEU A 59 13.462 -5.542 0.563 1.00 0.98 C ATOM 878 CG LEU A 59 13.549 -4.815 -0.775 1.00 1.75 C ATOM 879 CD1 LEU A 59 14.995 -4.482 -1.105 1.00 2.28 C ATOM 880 CD2 LEU A 59 12.926 -5.650 -1.886 1.00 2.31 C ATOM 0 H LEU A 59 11.637 -3.885 0.446 1.00 0.78 H new ATOM 0 HA LEU A 59 11.662 -6.716 0.487 1.00 0.79 H new ATOM 0 HB2 LEU A 59 13.957 -4.935 1.321 1.00 0.98 H new ATOM 0 HB3 LEU A 59 14.019 -6.476 0.488 1.00 0.98 H new ATOM 0 HG LEU A 59 12.988 -3.884 -0.695 1.00 1.75 H new ATOM 0 HD11 LEU A 59 15.040 -3.964 -2.063 1.00 2.28 H new ATOM 0 HD12 LEU A 59 15.408 -3.841 -0.326 1.00 2.28 H new ATOM 0 HD13 LEU A 59 15.576 -5.402 -1.163 1.00 2.28 H new ATOM 0 HD21 LEU A 59 13.000 -5.111 -2.831 1.00 2.31 H new ATOM 0 HD22 LEU A 59 13.455 -6.600 -1.968 1.00 2.31 H new ATOM 0 HD23 LEU A 59 11.877 -5.837 -1.656 1.00 2.31 H new ATOM 892 N GLU A 60 12.276 -5.102 3.296 1.00 0.66 N ATOM 893 CA GLU A 60 12.316 -5.177 4.755 1.00 0.65 C ATOM 894 C GLU A 60 11.034 -5.802 5.312 1.00 0.51 C ATOM 895 O GLU A 60 11.083 -6.691 6.158 1.00 0.57 O ATOM 896 CB GLU A 60 12.509 -3.772 5.339 1.00 0.76 C ATOM 897 CG GLU A 60 13.721 -3.041 4.780 1.00 0.99 C ATOM 898 CD GLU A 60 13.779 -1.574 5.177 1.00 1.98 C ATOM 899 OE1 GLU A 60 12.790 -1.075 5.759 1.00 2.64 O ATOM 900 OE2 GLU A 60 14.812 -0.919 4.931 1.00 2.58 O ATOM 0 H GLU A 60 12.414 -4.160 2.929 1.00 0.66 H new ATOM 0 HA GLU A 60 13.154 -5.811 5.043 1.00 0.65 H new ATOM 0 HB2 GLU A 60 11.615 -3.180 5.142 1.00 0.76 H new ATOM 0 HB3 GLU A 60 12.609 -3.848 6.422 1.00 0.76 H new ATOM 0 HG2 GLU A 60 14.627 -3.539 5.125 1.00 0.99 H new ATOM 0 HG3 GLU A 60 13.711 -3.115 3.693 1.00 0.99 H new ATOM 907 N HIS A 61 9.887 -5.345 4.817 1.00 0.43 N ATOM 908 CA HIS A 61 8.595 -5.835 5.286 1.00 0.41 C ATOM 909 C HIS A 61 8.400 -7.297 4.915 1.00 0.38 C ATOM 910 O HIS A 61 7.766 -8.053 5.652 1.00 0.40 O ATOM 911 CB HIS A 61 7.450 -5.002 4.705 1.00 0.57 C ATOM 912 CG HIS A 61 6.137 -5.250 5.390 1.00 0.94 C ATOM 913 ND1 HIS A 61 5.046 -5.820 4.765 1.00 1.54 N ATOM 914 CD2 HIS A 61 5.751 -5.012 6.666 1.00 1.45 C ATOM 915 CE1 HIS A 61 4.051 -5.921 5.628 1.00 1.72 C ATOM 916 NE2 HIS A 61 4.449 -5.438 6.791 1.00 1.60 N ATOM 0 H HIS A 61 9.827 -4.634 4.089 1.00 0.43 H new ATOM 0 HA HIS A 61 8.585 -5.742 6.372 1.00 0.41 H new ATOM 0 HB2 HIS A 61 7.701 -3.944 4.785 1.00 0.57 H new ATOM 0 HB3 HIS A 61 7.348 -5.226 3.643 1.00 0.57 H new ATOM 0 HD2 HIS A 61 6.355 -4.569 7.444 1.00 1.45 H new ATOM 0 HE1 HIS A 61 3.074 -6.331 5.417 1.00 1.72 H new ATOM 0 HE2 HIS A 61 3.885 -5.389 7.640 1.00 1.60 H new ATOM 925 N TYR A 62 8.936 -7.686 3.764 1.00 0.44 N ATOM 926 CA TYR A 62 8.887 -9.073 3.318 1.00 0.54 C ATOM 927 C TYR A 62 9.696 -9.953 4.270 1.00 0.59 C ATOM 928 O TYR A 62 9.377 -11.119 4.491 1.00 0.67 O ATOM 929 CB TYR A 62 9.436 -9.171 1.889 1.00 0.69 C ATOM 930 CG TYR A 62 9.371 -10.554 1.274 1.00 0.97 C ATOM 931 CD1 TYR A 62 8.194 -11.027 0.701 1.00 1.08 C ATOM 932 CD2 TYR A 62 10.480 -11.393 1.281 1.00 1.39 C ATOM 933 CE1 TYR A 62 8.126 -12.293 0.153 1.00 1.55 C ATOM 934 CE2 TYR A 62 10.419 -12.662 0.731 1.00 1.89 C ATOM 935 CZ TYR A 62 9.264 -13.085 0.118 1.00 1.97 C ATOM 936 OH TYR A 62 9.171 -14.371 -0.375 1.00 2.50 O ATOM 0 H TYR A 62 9.412 -7.056 3.119 1.00 0.44 H new ATOM 0 HA TYR A 62 7.855 -9.422 3.321 1.00 0.54 H new ATOM 0 HB2 TYR A 62 8.881 -8.480 1.254 1.00 0.69 H new ATOM 0 HB3 TYR A 62 10.474 -8.838 1.891 1.00 0.69 H new ATOM 0 HD1 TYR A 62 7.319 -10.394 0.685 1.00 1.08 H new ATOM 0 HD2 TYR A 62 11.404 -11.049 1.723 1.00 1.39 H new ATOM 0 HE1 TYR A 62 7.193 -12.664 -0.245 1.00 1.55 H new ATOM 0 HE2 TYR A 62 11.276 -13.317 0.783 1.00 1.89 H new ATOM 0 HH TYR A 62 10.051 -14.801 -0.336 1.00 2.50 H new ATOM 946 N ARG A 63 10.740 -9.369 4.832 1.00 0.60 N ATOM 947 CA ARG A 63 11.591 -10.053 5.792 1.00 0.73 C ATOM 948 C ARG A 63 10.976 -10.045 7.194 1.00 0.75 C ATOM 949 O ARG A 63 11.088 -11.024 7.934 1.00 0.87 O ATOM 950 CB ARG A 63 12.963 -9.399 5.788 1.00 0.80 C ATOM 951 CG ARG A 63 13.709 -9.689 4.503 1.00 1.19 C ATOM 952 CD ARG A 63 14.876 -8.741 4.280 1.00 1.33 C ATOM 953 NE ARG A 63 15.893 -8.816 5.326 1.00 1.71 N ATOM 954 CZ ARG A 63 17.196 -8.690 5.093 1.00 2.01 C ATOM 955 NH1 ARG A 63 17.640 -8.623 3.844 1.00 1.88 N ATOM 956 NH2 ARG A 63 18.051 -8.649 6.106 1.00 2.76 N ATOM 0 H ARG A 63 11.022 -8.408 4.636 1.00 0.60 H new ATOM 0 HA ARG A 63 11.688 -11.099 5.500 1.00 0.73 H new ATOM 0 HB2 ARG A 63 12.855 -8.322 5.912 1.00 0.80 H new ATOM 0 HB3 ARG A 63 13.543 -9.761 6.637 1.00 0.80 H new ATOM 0 HG2 ARG A 63 14.077 -10.715 4.524 1.00 1.19 H new ATOM 0 HG3 ARG A 63 13.020 -9.615 3.662 1.00 1.19 H new ATOM 0 HD2 ARG A 63 15.338 -8.965 3.318 1.00 1.33 H new ATOM 0 HD3 ARG A 63 14.499 -7.720 4.223 1.00 1.33 H new ATOM 0 HE ARG A 63 15.587 -8.973 6.286 1.00 1.71 H new ATOM 0 HH11 ARG A 63 16.982 -8.668 3.066 1.00 1.88 H new ATOM 0 HH12 ARG A 63 18.639 -8.526 3.662 1.00 1.88 H new ATOM 0 HH21 ARG A 63 17.709 -8.714 7.065 1.00 2.76 H new ATOM 0 HH22 ARG A 63 19.050 -8.552 5.926 1.00 2.76 H new ATOM 970 N ASP A 64 10.326 -8.939 7.553 1.00 0.68 N ATOM 971 CA ASP A 64 9.698 -8.811 8.870 1.00 0.75 C ATOM 972 C ASP A 64 8.401 -9.611 8.964 1.00 0.75 C ATOM 973 O ASP A 64 8.262 -10.488 9.818 1.00 0.89 O ATOM 974 CB ASP A 64 9.391 -7.345 9.204 1.00 0.75 C ATOM 975 CG ASP A 64 10.618 -6.528 9.554 1.00 1.18 C ATOM 976 OD1 ASP A 64 11.412 -6.975 10.409 1.00 1.43 O ATOM 977 OD2 ASP A 64 10.807 -5.448 8.958 1.00 1.85 O ATOM 0 H ASP A 64 10.220 -8.120 6.954 1.00 0.68 H new ATOM 0 HA ASP A 64 10.416 -9.209 9.587 1.00 0.75 H new ATOM 0 HB2 ASP A 64 8.891 -6.885 8.352 1.00 0.75 H new ATOM 0 HB3 ASP A 64 8.693 -7.311 10.040 1.00 0.75 H new ATOM 982 N MET A 65 7.452 -9.299 8.089 1.00 0.63 N ATOM 983 CA MET A 65 6.112 -9.875 8.177 1.00 0.67 C ATOM 984 C MET A 65 5.800 -10.770 6.980 1.00 0.65 C ATOM 985 O MET A 65 4.949 -11.652 7.061 1.00 0.80 O ATOM 986 CB MET A 65 5.069 -8.762 8.296 1.00 0.68 C ATOM 987 CG MET A 65 5.192 -7.965 9.585 1.00 0.75 C ATOM 988 SD MET A 65 4.802 -8.945 11.051 1.00 1.35 S ATOM 989 CE MET A 65 3.053 -9.248 10.806 1.00 1.84 C ATOM 0 H MET A 65 7.583 -8.652 7.311 1.00 0.63 H new ATOM 0 HA MET A 65 6.076 -10.499 9.070 1.00 0.67 H new ATOM 0 HB2 MET A 65 5.169 -8.086 7.447 1.00 0.68 H new ATOM 0 HB3 MET A 65 4.072 -9.199 8.240 1.00 0.68 H new ATOM 0 HG2 MET A 65 6.207 -7.577 9.672 1.00 0.75 H new ATOM 0 HG3 MET A 65 4.525 -7.104 9.540 1.00 0.75 H new ATOM 0 HE1 MET A 65 2.530 -9.148 11.757 1.00 1.84 H new ATOM 0 HE2 MET A 65 2.655 -8.524 10.095 1.00 1.84 H new ATOM 0 HE3 MET A 65 2.909 -10.256 10.417 1.00 1.84 H new ATOM 999 N GLY A 66 6.464 -10.519 5.860 1.00 0.56 N ATOM 1000 CA GLY A 66 6.330 -11.391 4.706 1.00 0.64 C ATOM 1001 C GLY A 66 5.153 -11.045 3.810 1.00 0.70 C ATOM 1002 O GLY A 66 4.983 -11.656 2.756 1.00 1.36 O ATOM 0 H GLY A 66 7.094 -9.727 5.728 1.00 0.56 H new ATOM 0 HA2 GLY A 66 7.247 -11.345 4.119 1.00 0.64 H new ATOM 0 HA3 GLY A 66 6.223 -12.420 5.050 1.00 0.64 H new ATOM 1006 N TYR A 67 4.341 -10.078 4.221 1.00 0.55 N ATOM 1007 CA TYR A 67 3.173 -9.683 3.437 1.00 0.49 C ATOM 1008 C TYR A 67 3.593 -8.875 2.209 1.00 0.53 C ATOM 1009 O TYR A 67 4.136 -7.775 2.329 1.00 0.82 O ATOM 1010 CB TYR A 67 2.187 -8.895 4.302 1.00 0.64 C ATOM 1011 CG TYR A 67 1.589 -9.721 5.420 1.00 1.61 C ATOM 1012 CD1 TYR A 67 0.732 -10.782 5.150 1.00 2.31 C ATOM 1013 CD2 TYR A 67 1.872 -9.427 6.750 1.00 2.04 C ATOM 1014 CE1 TYR A 67 0.177 -11.528 6.175 1.00 3.28 C ATOM 1015 CE2 TYR A 67 1.322 -10.170 7.778 1.00 2.98 C ATOM 1016 CZ TYR A 67 0.501 -11.262 7.467 1.00 3.57 C ATOM 1017 OH TYR A 67 -0.078 -11.960 8.507 1.00 4.55 O ATOM 0 H TYR A 67 4.467 -9.555 5.087 1.00 0.55 H new ATOM 0 HA TYR A 67 2.671 -10.586 3.088 1.00 0.49 H new ATOM 0 HB2 TYR A 67 2.697 -8.031 4.729 1.00 0.64 H new ATOM 0 HB3 TYR A 67 1.385 -8.512 3.671 1.00 0.64 H new ATOM 0 HD1 TYR A 67 0.496 -11.028 4.125 1.00 2.31 H new ATOM 0 HD2 TYR A 67 2.532 -8.605 6.983 1.00 2.04 H new ATOM 0 HE1 TYR A 67 -0.516 -12.324 5.947 1.00 3.28 H new ATOM 0 HE2 TYR A 67 1.523 -9.912 8.807 1.00 2.98 H new ATOM 0 HH TYR A 67 0.278 -11.632 9.359 1.00 4.55 H new ATOM 1027 N PRO A 68 3.355 -9.441 1.015 1.00 0.46 N ATOM 1028 CA PRO A 68 3.832 -8.920 -0.257 1.00 0.59 C ATOM 1029 C PRO A 68 2.767 -8.191 -1.083 1.00 0.49 C ATOM 1030 O PRO A 68 2.750 -8.306 -2.310 1.00 0.64 O ATOM 1031 CB PRO A 68 4.229 -10.212 -0.973 1.00 0.80 C ATOM 1032 CG PRO A 68 3.412 -11.310 -0.338 1.00 0.88 C ATOM 1033 CD PRO A 68 2.631 -10.689 0.793 1.00 0.59 C ATOM 0 HA PRO A 68 4.615 -8.174 -0.121 1.00 0.59 H new ATOM 0 HB2 PRO A 68 4.026 -10.144 -2.042 1.00 0.80 H new ATOM 0 HB3 PRO A 68 5.296 -10.407 -0.863 1.00 0.80 H new ATOM 0 HG2 PRO A 68 2.739 -11.760 -1.068 1.00 0.88 H new ATOM 0 HG3 PRO A 68 4.059 -12.105 0.032 1.00 0.88 H new ATOM 0 HD2 PRO A 68 1.590 -10.514 0.521 1.00 0.59 H new ATOM 0 HD3 PRO A 68 2.627 -11.321 1.681 1.00 0.59 H new ATOM 1041 N LEU A 69 1.896 -7.436 -0.434 1.00 0.34 N ATOM 1042 CA LEU A 69 0.804 -6.769 -1.140 1.00 0.28 C ATOM 1043 C LEU A 69 0.591 -5.366 -0.601 1.00 0.24 C ATOM 1044 O LEU A 69 0.389 -5.186 0.602 1.00 0.27 O ATOM 1045 CB LEU A 69 -0.481 -7.584 -1.001 1.00 0.34 C ATOM 1046 CG LEU A 69 -0.453 -8.954 -1.674 1.00 0.43 C ATOM 1047 CD1 LEU A 69 -1.241 -9.957 -0.854 1.00 0.61 C ATOM 1048 CD2 LEU A 69 -1.005 -8.860 -3.087 1.00 0.43 C ATOM 0 H LEU A 69 1.919 -7.268 0.572 1.00 0.34 H new ATOM 0 HA LEU A 69 1.070 -6.695 -2.195 1.00 0.28 H new ATOM 0 HB2 LEU A 69 -0.693 -7.721 0.059 1.00 0.34 H new ATOM 0 HB3 LEU A 69 -1.306 -7.007 -1.419 1.00 0.34 H new ATOM 0 HG LEU A 69 0.580 -9.295 -1.734 1.00 0.43 H new ATOM 0 HD11 LEU A 69 -1.213 -10.930 -1.345 1.00 0.61 H new ATOM 0 HD12 LEU A 69 -0.802 -10.039 0.140 1.00 0.61 H new ATOM 0 HD13 LEU A 69 -2.275 -9.624 -0.767 1.00 0.61 H new ATOM 0 HD21 LEU A 69 -0.979 -9.844 -3.554 1.00 0.43 H new ATOM 0 HD22 LEU A 69 -2.034 -8.502 -3.053 1.00 0.43 H new ATOM 0 HD23 LEU A 69 -0.399 -8.166 -3.669 1.00 0.43 H new ATOM 1060 N ALA A 70 0.615 -4.376 -1.485 1.00 0.22 N ATOM 1061 CA ALA A 70 0.518 -2.989 -1.054 1.00 0.24 C ATOM 1062 C ALA A 70 -0.069 -2.078 -2.133 1.00 0.27 C ATOM 1063 O ALA A 70 0.057 -2.338 -3.330 1.00 0.32 O ATOM 1064 CB ALA A 70 1.885 -2.483 -0.630 1.00 0.27 C ATOM 0 H ALA A 70 0.700 -4.506 -2.493 1.00 0.22 H new ATOM 0 HA ALA A 70 -0.167 -2.961 -0.206 1.00 0.24 H new ATOM 0 HB1 ALA A 70 1.805 -1.444 -0.309 1.00 0.27 H new ATOM 0 HB2 ALA A 70 2.258 -3.090 0.195 1.00 0.27 H new ATOM 0 HB3 ALA A 70 2.575 -2.550 -1.471 1.00 0.27 H new ATOM 1070 N VAL A 71 -0.715 -1.011 -1.679 1.00 0.26 N ATOM 1071 CA VAL A 71 -1.289 0.000 -2.558 1.00 0.29 C ATOM 1072 C VAL A 71 -0.289 1.122 -2.787 1.00 0.30 C ATOM 1073 O VAL A 71 0.203 1.719 -1.830 1.00 0.29 O ATOM 1074 CB VAL A 71 -2.579 0.611 -1.953 1.00 0.31 C ATOM 1075 CG1 VAL A 71 -3.165 1.673 -2.876 1.00 0.36 C ATOM 1076 CG2 VAL A 71 -3.608 -0.471 -1.681 1.00 0.32 C ATOM 0 H VAL A 71 -0.856 -0.822 -0.687 1.00 0.26 H new ATOM 0 HA VAL A 71 -1.534 -0.490 -3.500 1.00 0.29 H new ATOM 0 HB VAL A 71 -2.313 1.085 -1.009 1.00 0.31 H new ATOM 0 HG11 VAL A 71 -4.069 2.086 -2.428 1.00 0.36 H new ATOM 0 HG12 VAL A 71 -2.436 2.470 -3.022 1.00 0.36 H new ATOM 0 HG13 VAL A 71 -3.409 1.224 -3.839 1.00 0.36 H new ATOM 0 HG21 VAL A 71 -4.506 -0.021 -1.257 1.00 0.32 H new ATOM 0 HG22 VAL A 71 -3.861 -0.975 -2.614 1.00 0.32 H new ATOM 0 HG23 VAL A 71 -3.197 -1.195 -0.977 1.00 0.32 H new ATOM 1086 N LYS A 72 0.010 1.410 -4.042 1.00 0.33 N ATOM 1087 CA LYS A 72 0.896 2.513 -4.367 1.00 0.36 C ATOM 1088 C LYS A 72 0.157 3.832 -4.194 1.00 0.37 C ATOM 1089 O LYS A 72 -0.680 4.220 -5.012 1.00 0.42 O ATOM 1090 CB LYS A 72 1.439 2.390 -5.787 1.00 0.43 C ATOM 1091 CG LYS A 72 2.500 3.426 -6.095 1.00 0.50 C ATOM 1092 CD LYS A 72 2.954 3.358 -7.540 1.00 0.89 C ATOM 1093 CE LYS A 72 4.027 4.389 -7.821 1.00 0.91 C ATOM 1094 NZ LYS A 72 4.426 4.403 -9.251 1.00 1.54 N ATOM 0 H LYS A 72 -0.346 0.898 -4.849 1.00 0.33 H new ATOM 0 HA LYS A 72 1.746 2.483 -3.685 1.00 0.36 H new ATOM 0 HB2 LYS A 72 1.858 1.393 -5.927 1.00 0.43 H new ATOM 0 HB3 LYS A 72 0.618 2.494 -6.497 1.00 0.43 H new ATOM 0 HG2 LYS A 72 2.108 4.421 -5.884 1.00 0.50 H new ATOM 0 HG3 LYS A 72 3.356 3.275 -5.438 1.00 0.50 H new ATOM 0 HD2 LYS A 72 3.337 2.361 -7.758 1.00 0.89 H new ATOM 0 HD3 LYS A 72 2.103 3.524 -8.200 1.00 0.89 H new ATOM 0 HE2 LYS A 72 3.664 5.377 -7.537 1.00 0.91 H new ATOM 0 HE3 LYS A 72 4.900 4.180 -7.203 1.00 0.91 H new ATOM 0 HZ1 LYS A 72 5.162 5.123 -9.399 1.00 1.54 H new ATOM 0 HZ2 LYS A 72 4.797 3.469 -9.517 1.00 1.54 H new ATOM 0 HZ3 LYS A 72 3.599 4.628 -9.840 1.00 1.54 H new ATOM 1108 N LEU A 73 0.481 4.511 -3.116 1.00 0.33 N ATOM 1109 CA LEU A 73 -0.228 5.704 -2.705 1.00 0.33 C ATOM 1110 C LEU A 73 0.076 6.878 -3.624 1.00 0.35 C ATOM 1111 O LEU A 73 1.051 6.859 -4.370 1.00 0.38 O ATOM 1112 CB LEU A 73 0.148 6.024 -1.267 1.00 0.32 C ATOM 1113 CG LEU A 73 -0.042 4.848 -0.310 1.00 0.32 C ATOM 1114 CD1 LEU A 73 0.619 5.115 1.020 1.00 0.31 C ATOM 1115 CD2 LEU A 73 -1.519 4.565 -0.110 1.00 0.35 C ATOM 0 H LEU A 73 1.248 4.250 -2.496 1.00 0.33 H new ATOM 0 HA LEU A 73 -1.301 5.523 -2.771 1.00 0.33 H new ATOM 0 HB2 LEU A 73 1.190 6.343 -1.235 1.00 0.32 H new ATOM 0 HB3 LEU A 73 -0.454 6.864 -0.921 1.00 0.32 H new ATOM 0 HG LEU A 73 0.431 3.973 -0.755 1.00 0.32 H new ATOM 0 HD11 LEU A 73 0.467 4.261 1.680 1.00 0.31 H new ATOM 0 HD12 LEU A 73 1.687 5.272 0.870 1.00 0.31 H new ATOM 0 HD13 LEU A 73 0.181 6.005 1.472 1.00 0.31 H new ATOM 0 HD21 LEU A 73 -1.639 3.725 0.574 1.00 0.35 H new ATOM 0 HD22 LEU A 73 -2.005 5.446 0.309 1.00 0.35 H new ATOM 0 HD23 LEU A 73 -1.976 4.320 -1.069 1.00 0.35 H new ATOM 1127 N GLY A 74 -0.779 7.888 -3.576 1.00 0.37 N ATOM 1128 CA GLY A 74 -0.637 9.026 -4.461 1.00 0.41 C ATOM 1129 C GLY A 74 -1.438 8.860 -5.740 1.00 0.43 C ATOM 1130 O GLY A 74 -1.766 9.839 -6.407 1.00 0.49 O ATOM 0 H GLY A 74 -1.572 7.940 -2.937 1.00 0.37 H new ATOM 0 HA2 GLY A 74 -0.963 9.929 -3.945 1.00 0.41 H new ATOM 0 HA3 GLY A 74 0.416 9.163 -4.708 1.00 0.41 H new ATOM 1134 N THR A 75 -1.772 7.616 -6.067 1.00 0.43 N ATOM 1135 CA THR A 75 -2.492 7.308 -7.300 1.00 0.47 C ATOM 1136 C THR A 75 -3.965 7.047 -7.010 1.00 0.43 C ATOM 1137 O THR A 75 -4.773 6.863 -7.923 1.00 0.43 O ATOM 1138 CB THR A 75 -1.903 6.060 -7.984 1.00 0.50 C ATOM 1139 OG1 THR A 75 -2.120 4.907 -7.157 1.00 0.44 O ATOM 1140 CG2 THR A 75 -0.411 6.228 -8.245 1.00 0.62 C ATOM 0 H THR A 75 -1.555 6.801 -5.493 1.00 0.43 H new ATOM 0 HA THR A 75 -2.390 8.170 -7.960 1.00 0.47 H new ATOM 0 HB THR A 75 -2.406 5.928 -8.942 1.00 0.50 H new ATOM 0 HG1 THR A 75 -1.406 4.845 -6.489 1.00 0.44 H new ATOM 0 HG21 THR A 75 -0.023 5.331 -8.728 1.00 0.62 H new ATOM 0 HG22 THR A 75 -0.250 7.089 -8.894 1.00 0.62 H new ATOM 0 HG23 THR A 75 0.108 6.384 -7.300 1.00 0.62 H new ATOM 1148 N ILE A 76 -4.296 7.046 -5.727 1.00 0.44 N ATOM 1149 CA ILE A 76 -5.614 6.651 -5.259 1.00 0.43 C ATOM 1150 C ILE A 76 -6.694 7.606 -5.734 1.00 0.46 C ATOM 1151 O ILE A 76 -6.590 8.821 -5.564 1.00 0.53 O ATOM 1152 CB ILE A 76 -5.638 6.578 -3.720 1.00 0.45 C ATOM 1153 CG1 ILE A 76 -4.587 5.591 -3.229 1.00 0.45 C ATOM 1154 CG2 ILE A 76 -7.021 6.175 -3.217 1.00 0.49 C ATOM 1155 CD1 ILE A 76 -3.975 5.996 -1.918 1.00 0.47 C ATOM 0 H ILE A 76 -3.656 7.320 -4.981 1.00 0.44 H new ATOM 0 HA ILE A 76 -5.821 5.667 -5.679 1.00 0.43 H new ATOM 0 HB ILE A 76 -5.408 7.567 -3.323 1.00 0.45 H new ATOM 0 HG12 ILE A 76 -5.042 4.606 -3.124 1.00 0.45 H new ATOM 0 HG13 ILE A 76 -3.801 5.501 -3.979 1.00 0.45 H new ATOM 0 HG21 ILE A 76 -7.013 6.130 -2.128 1.00 0.49 H new ATOM 0 HG22 ILE A 76 -7.756 6.910 -3.545 1.00 0.49 H new ATOM 0 HG23 ILE A 76 -7.283 5.196 -3.619 1.00 0.49 H new ATOM 0 HD11 ILE A 76 -3.234 5.255 -1.618 1.00 0.47 H new ATOM 0 HD12 ILE A 76 -3.494 6.968 -2.026 1.00 0.47 H new ATOM 0 HD13 ILE A 76 -4.753 6.059 -1.157 1.00 0.47 H new ATOM 1167 N THR A 77 -7.716 7.038 -6.346 1.00 0.45 N ATOM 1168 CA THR A 77 -8.897 7.774 -6.725 1.00 0.50 C ATOM 1169 C THR A 77 -10.124 6.916 -6.387 1.00 0.56 C ATOM 1170 O THR A 77 -9.979 5.712 -6.175 1.00 0.62 O ATOM 1171 CB THR A 77 -8.841 8.162 -8.230 1.00 0.51 C ATOM 1172 OG1 THR A 77 -8.995 9.579 -8.379 1.00 1.48 O ATOM 1173 CG2 THR A 77 -9.896 7.442 -9.058 1.00 1.27 C ATOM 0 H THR A 77 -7.746 6.049 -6.593 1.00 0.45 H new ATOM 0 HA THR A 77 -8.960 8.711 -6.171 1.00 0.50 H new ATOM 0 HB THR A 77 -7.865 7.851 -8.603 1.00 0.51 H new ATOM 0 HG1 THR A 77 -8.957 9.814 -9.330 1.00 1.48 H new ATOM 0 HG21 THR A 77 -9.812 7.749 -10.100 1.00 1.27 H new ATOM 0 HG22 THR A 77 -9.744 6.365 -8.984 1.00 1.27 H new ATOM 0 HG23 THR A 77 -10.888 7.695 -8.683 1.00 1.27 H new ATOM 1181 N PRO A 78 -11.319 7.511 -6.283 1.00 0.65 N ATOM 1182 CA PRO A 78 -12.539 6.798 -5.861 1.00 0.73 C ATOM 1183 C PRO A 78 -12.757 5.477 -6.605 1.00 0.75 C ATOM 1184 O PRO A 78 -13.157 4.472 -6.008 1.00 0.98 O ATOM 1185 CB PRO A 78 -13.650 7.796 -6.183 1.00 0.88 C ATOM 1186 CG PRO A 78 -12.989 9.129 -6.093 1.00 1.04 C ATOM 1187 CD PRO A 78 -11.578 8.927 -6.571 1.00 0.74 C ATOM 0 HA PRO A 78 -12.494 6.505 -4.812 1.00 0.73 H new ATOM 0 HB2 PRO A 78 -14.063 7.624 -7.177 1.00 0.88 H new ATOM 0 HB3 PRO A 78 -14.475 7.713 -5.476 1.00 0.88 H new ATOM 0 HG2 PRO A 78 -13.508 9.864 -6.709 1.00 1.04 H new ATOM 0 HG3 PRO A 78 -13.004 9.503 -5.069 1.00 1.04 H new ATOM 0 HD2 PRO A 78 -11.479 9.145 -7.634 1.00 0.74 H new ATOM 0 HD3 PRO A 78 -10.879 9.578 -6.046 1.00 0.74 H new ATOM 1195 N ASP A 79 -12.482 5.490 -7.903 1.00 0.72 N ATOM 1196 CA ASP A 79 -12.600 4.299 -8.739 1.00 0.80 C ATOM 1197 C ASP A 79 -11.627 3.212 -8.297 1.00 0.73 C ATOM 1198 O ASP A 79 -12.031 2.085 -8.003 1.00 0.85 O ATOM 1199 CB ASP A 79 -12.337 4.662 -10.200 1.00 0.90 C ATOM 1200 CG ASP A 79 -12.281 3.447 -11.104 1.00 1.35 C ATOM 1201 OD1 ASP A 79 -13.351 2.939 -11.495 1.00 2.05 O ATOM 1202 OD2 ASP A 79 -11.161 3.005 -11.440 1.00 1.64 O ATOM 0 H ASP A 79 -12.172 6.322 -8.406 1.00 0.72 H new ATOM 0 HA ASP A 79 -13.613 3.912 -8.633 1.00 0.80 H new ATOM 0 HB2 ASP A 79 -13.121 5.334 -10.550 1.00 0.90 H new ATOM 0 HB3 ASP A 79 -11.395 5.206 -10.271 1.00 0.90 H new ATOM 1207 N GLY A 80 -10.351 3.559 -8.243 1.00 0.60 N ATOM 1208 CA GLY A 80 -9.331 2.605 -7.871 1.00 0.62 C ATOM 1209 C GLY A 80 -7.972 3.256 -7.724 1.00 0.52 C ATOM 1210 O GLY A 80 -7.851 4.479 -7.829 1.00 0.65 O ATOM 0 H GLY A 80 -10.002 4.494 -8.453 1.00 0.60 H new ATOM 0 HA2 GLY A 80 -9.607 2.127 -6.931 1.00 0.62 H new ATOM 0 HA3 GLY A 80 -9.277 1.819 -8.625 1.00 0.62 H new ATOM 1214 N ALA A 81 -6.953 2.445 -7.482 1.00 0.42 N ATOM 1215 CA ALA A 81 -5.597 2.944 -7.304 1.00 0.38 C ATOM 1216 C ALA A 81 -4.586 1.966 -7.881 1.00 0.34 C ATOM 1217 O ALA A 81 -4.936 0.843 -8.250 1.00 0.35 O ATOM 1218 CB ALA A 81 -5.309 3.171 -5.828 1.00 0.50 C ATOM 0 H ALA A 81 -7.040 1.432 -7.404 1.00 0.42 H new ATOM 0 HA ALA A 81 -5.510 3.892 -7.835 1.00 0.38 H new ATOM 0 HB1 ALA A 81 -4.292 3.544 -5.709 1.00 0.50 H new ATOM 0 HB2 ALA A 81 -6.012 3.901 -5.428 1.00 0.50 H new ATOM 0 HB3 ALA A 81 -5.416 2.230 -5.288 1.00 0.50 H new ATOM 1224 N ASP A 82 -3.338 2.406 -7.947 1.00 0.34 N ATOM 1225 CA ASP A 82 -2.242 1.574 -8.429 1.00 0.34 C ATOM 1226 C ASP A 82 -1.829 0.605 -7.331 1.00 0.33 C ATOM 1227 O ASP A 82 -1.293 1.013 -6.309 1.00 0.53 O ATOM 1228 CB ASP A 82 -1.054 2.462 -8.826 1.00 0.45 C ATOM 1229 CG ASP A 82 0.052 1.718 -9.554 1.00 0.92 C ATOM 1230 OD1 ASP A 82 0.651 0.802 -8.948 1.00 1.77 O ATOM 1231 OD2 ASP A 82 0.318 2.025 -10.732 1.00 1.25 O ATOM 0 H ASP A 82 -3.056 3.346 -7.669 1.00 0.34 H new ATOM 0 HA ASP A 82 -2.565 1.010 -9.304 1.00 0.34 H new ATOM 0 HB2 ASP A 82 -1.414 3.271 -9.461 1.00 0.45 H new ATOM 0 HB3 ASP A 82 -0.640 2.921 -7.928 1.00 0.45 H new ATOM 1236 N VAL A 83 -2.121 -0.668 -7.519 1.00 0.34 N ATOM 1237 CA VAL A 83 -1.784 -1.675 -6.524 1.00 0.41 C ATOM 1238 C VAL A 83 -0.598 -2.495 -7.007 1.00 0.40 C ATOM 1239 O VAL A 83 -0.540 -2.875 -8.171 1.00 0.43 O ATOM 1240 CB VAL A 83 -2.982 -2.611 -6.238 1.00 0.54 C ATOM 1241 CG1 VAL A 83 -2.680 -3.554 -5.081 1.00 0.88 C ATOM 1242 CG2 VAL A 83 -4.239 -1.804 -5.957 1.00 0.70 C ATOM 0 H VAL A 83 -2.590 -1.031 -8.349 1.00 0.34 H new ATOM 0 HA VAL A 83 -1.527 -1.162 -5.597 1.00 0.41 H new ATOM 0 HB VAL A 83 -3.153 -3.216 -7.128 1.00 0.54 H new ATOM 0 HG11 VAL A 83 -3.540 -4.199 -4.904 1.00 0.88 H new ATOM 0 HG12 VAL A 83 -1.812 -4.166 -5.327 1.00 0.88 H new ATOM 0 HG13 VAL A 83 -2.471 -2.973 -4.183 1.00 0.88 H new ATOM 0 HG21 VAL A 83 -5.070 -2.481 -5.758 1.00 0.70 H new ATOM 0 HG22 VAL A 83 -4.075 -1.166 -5.088 1.00 0.70 H new ATOM 0 HG23 VAL A 83 -4.475 -1.185 -6.822 1.00 0.70 H new ATOM 1252 N TYR A 84 0.352 -2.768 -6.126 1.00 0.41 N ATOM 1253 CA TYR A 84 1.533 -3.515 -6.520 1.00 0.42 C ATOM 1254 C TYR A 84 1.709 -4.739 -5.633 1.00 0.42 C ATOM 1255 O TYR A 84 1.561 -4.669 -4.412 1.00 0.44 O ATOM 1256 CB TYR A 84 2.781 -2.631 -6.448 1.00 0.48 C ATOM 1257 CG TYR A 84 3.925 -3.109 -7.322 1.00 0.82 C ATOM 1258 CD1 TYR A 84 4.836 -4.054 -6.863 1.00 1.74 C ATOM 1259 CD2 TYR A 84 4.090 -2.613 -8.610 1.00 1.24 C ATOM 1260 CE1 TYR A 84 5.878 -4.490 -7.663 1.00 2.45 C ATOM 1261 CE2 TYR A 84 5.128 -3.044 -9.416 1.00 1.81 C ATOM 1262 CZ TYR A 84 6.021 -3.981 -8.937 1.00 2.31 C ATOM 1263 OH TYR A 84 7.057 -4.415 -9.741 1.00 3.09 O ATOM 0 H TYR A 84 0.329 -2.487 -5.146 1.00 0.41 H new ATOM 0 HA TYR A 84 1.399 -3.844 -7.551 1.00 0.42 H new ATOM 0 HB2 TYR A 84 2.513 -1.616 -6.741 1.00 0.48 H new ATOM 0 HB3 TYR A 84 3.122 -2.584 -5.414 1.00 0.48 H new ATOM 0 HD1 TYR A 84 4.729 -4.454 -5.866 1.00 1.74 H new ATOM 0 HD2 TYR A 84 3.395 -1.878 -8.988 1.00 1.24 H new ATOM 0 HE1 TYR A 84 6.576 -5.226 -7.291 1.00 2.45 H new ATOM 0 HE2 TYR A 84 5.239 -2.649 -10.415 1.00 1.81 H new ATOM 0 HH TYR A 84 6.864 -5.320 -10.063 1.00 3.09 H new ATOM 1273 N SER A 85 2.016 -5.859 -6.258 1.00 0.43 N ATOM 1274 CA SER A 85 2.281 -7.085 -5.534 1.00 0.45 C ATOM 1275 C SER A 85 3.771 -7.388 -5.577 1.00 0.47 C ATOM 1276 O SER A 85 4.366 -7.468 -6.649 1.00 0.59 O ATOM 1277 CB SER A 85 1.481 -8.248 -6.130 1.00 0.51 C ATOM 1278 OG SER A 85 1.810 -9.474 -5.497 1.00 1.41 O ATOM 0 H SER A 85 2.088 -5.944 -7.272 1.00 0.43 H new ATOM 0 HA SER A 85 1.971 -6.959 -4.497 1.00 0.45 H new ATOM 0 HB2 SER A 85 0.414 -8.053 -6.020 1.00 0.51 H new ATOM 0 HB3 SER A 85 1.683 -8.322 -7.199 1.00 0.51 H new ATOM 0 HG SER A 85 1.079 -10.115 -5.625 1.00 1.41 H new ATOM 1284 N PHE A 86 4.371 -7.546 -4.410 1.00 0.47 N ATOM 1285 CA PHE A 86 5.791 -7.853 -4.318 1.00 0.54 C ATOM 1286 C PHE A 86 5.998 -9.350 -4.476 1.00 0.57 C ATOM 1287 O PHE A 86 7.119 -9.836 -4.612 1.00 0.70 O ATOM 1288 CB PHE A 86 6.355 -7.375 -2.980 1.00 0.60 C ATOM 1289 CG PHE A 86 6.020 -5.943 -2.675 1.00 1.16 C ATOM 1290 CD1 PHE A 86 6.525 -4.916 -3.458 1.00 1.30 C ATOM 1291 CD2 PHE A 86 5.187 -5.625 -1.616 1.00 2.19 C ATOM 1292 CE1 PHE A 86 6.204 -3.599 -3.184 1.00 2.20 C ATOM 1293 CE2 PHE A 86 4.864 -4.312 -1.339 1.00 3.16 C ATOM 1294 CZ PHE A 86 5.373 -3.299 -2.123 1.00 3.10 C ATOM 0 H PHE A 86 3.897 -7.467 -3.510 1.00 0.47 H new ATOM 0 HA PHE A 86 6.321 -7.333 -5.116 1.00 0.54 H new ATOM 0 HB2 PHE A 86 5.969 -8.010 -2.183 1.00 0.60 H new ATOM 0 HB3 PHE A 86 7.438 -7.495 -2.986 1.00 0.60 H new ATOM 0 HD1 PHE A 86 7.175 -5.147 -4.289 1.00 1.30 H new ATOM 0 HD2 PHE A 86 4.785 -6.415 -0.999 1.00 2.19 H new ATOM 0 HE1 PHE A 86 6.603 -2.806 -3.799 1.00 2.20 H new ATOM 0 HE2 PHE A 86 4.213 -4.079 -0.509 1.00 3.16 H new ATOM 0 HZ PHE A 86 5.122 -2.271 -1.907 1.00 3.10 H new ATOM 1304 N GLN A 87 4.889 -10.072 -4.460 1.00 0.56 N ATOM 1305 CA GLN A 87 4.901 -11.507 -4.649 1.00 0.67 C ATOM 1306 C GLN A 87 4.828 -11.833 -6.138 1.00 0.72 C ATOM 1307 O GLN A 87 5.624 -12.619 -6.654 1.00 0.84 O ATOM 1308 CB GLN A 87 3.728 -12.129 -3.897 1.00 0.75 C ATOM 1309 CG GLN A 87 3.669 -13.641 -3.980 1.00 0.93 C ATOM 1310 CD GLN A 87 2.470 -14.203 -3.254 1.00 1.56 C ATOM 1311 OE1 GLN A 87 2.545 -14.567 -2.080 1.00 2.36 O ATOM 1312 NE2 GLN A 87 1.344 -14.252 -3.939 1.00 2.08 N ATOM 0 H GLN A 87 3.959 -9.678 -4.316 1.00 0.56 H new ATOM 0 HA GLN A 87 5.828 -11.923 -4.253 1.00 0.67 H new ATOM 0 HB2 GLN A 87 3.786 -11.836 -2.849 1.00 0.75 H new ATOM 0 HB3 GLN A 87 2.799 -11.718 -4.292 1.00 0.75 H new ATOM 0 HG2 GLN A 87 3.634 -13.945 -5.026 1.00 0.93 H new ATOM 0 HG3 GLN A 87 4.580 -14.063 -3.555 1.00 0.93 H new ATOM 0 HE21 GLN A 87 1.324 -13.941 -4.910 1.00 2.08 H new ATOM 0 HE22 GLN A 87 0.493 -14.601 -3.498 1.00 2.08 H new ATOM 1321 N GLU A 88 3.881 -11.203 -6.826 1.00 0.68 N ATOM 1322 CA GLU A 88 3.744 -11.367 -8.270 1.00 0.75 C ATOM 1323 C GLU A 88 4.762 -10.502 -9.008 1.00 0.70 C ATOM 1324 O GLU A 88 5.004 -10.696 -10.201 1.00 0.78 O ATOM 1325 CB GLU A 88 2.330 -11.003 -8.735 1.00 0.80 C ATOM 1326 CG GLU A 88 1.273 -12.067 -8.462 1.00 1.08 C ATOM 1327 CD GLU A 88 1.042 -12.314 -6.987 1.00 1.56 C ATOM 1328 OE1 GLU A 88 0.389 -11.473 -6.335 1.00 2.25 O ATOM 1329 OE2 GLU A 88 1.519 -13.348 -6.475 1.00 2.02 O ATOM 0 H GLU A 88 3.196 -10.574 -6.407 1.00 0.68 H new ATOM 0 HA GLU A 88 3.929 -12.416 -8.501 1.00 0.75 H new ATOM 0 HB2 GLU A 88 2.029 -10.077 -8.245 1.00 0.80 H new ATOM 0 HB3 GLU A 88 2.355 -10.803 -9.806 1.00 0.80 H new ATOM 0 HG2 GLU A 88 0.334 -11.764 -8.924 1.00 1.08 H new ATOM 0 HG3 GLU A 88 1.575 -13.000 -8.937 1.00 1.08 H new ATOM 1336 N GLU A 89 5.336 -9.535 -8.282 1.00 0.62 N ATOM 1337 CA GLU A 89 6.342 -8.613 -8.822 1.00 0.65 C ATOM 1338 C GLU A 89 5.739 -7.678 -9.867 1.00 0.62 C ATOM 1339 O GLU A 89 6.458 -6.960 -10.561 1.00 0.78 O ATOM 1340 CB GLU A 89 7.518 -9.379 -9.424 1.00 0.80 C ATOM 1341 CG GLU A 89 8.250 -10.250 -8.420 1.00 1.48 C ATOM 1342 CD GLU A 89 9.369 -11.045 -9.054 1.00 1.67 C ATOM 1343 OE1 GLU A 89 9.093 -12.138 -9.596 1.00 2.29 O ATOM 1344 OE2 GLU A 89 10.529 -10.583 -9.013 1.00 1.55 O ATOM 0 H GLU A 89 5.115 -9.370 -7.300 1.00 0.62 H new ATOM 0 HA GLU A 89 6.705 -8.008 -7.991 1.00 0.65 H new ATOM 0 HB2 GLU A 89 7.155 -10.005 -10.239 1.00 0.80 H new ATOM 0 HB3 GLU A 89 8.221 -8.668 -9.857 1.00 0.80 H new ATOM 0 HG2 GLU A 89 8.658 -9.622 -7.628 1.00 1.48 H new ATOM 0 HG3 GLU A 89 7.542 -10.934 -7.952 1.00 1.48 H new ATOM 1351 N GLU A 90 4.417 -7.666 -9.943 1.00 0.49 N ATOM 1352 CA GLU A 90 3.703 -6.912 -10.962 1.00 0.53 C ATOM 1353 C GLU A 90 2.621 -6.046 -10.331 1.00 0.45 C ATOM 1354 O GLU A 90 2.154 -6.329 -9.224 1.00 0.44 O ATOM 1355 CB GLU A 90 3.061 -7.878 -11.963 1.00 0.67 C ATOM 1356 CG GLU A 90 4.064 -8.623 -12.825 1.00 1.26 C ATOM 1357 CD GLU A 90 4.800 -7.704 -13.773 1.00 1.72 C ATOM 1358 OE1 GLU A 90 4.200 -7.282 -14.781 1.00 2.05 O ATOM 1359 OE2 GLU A 90 5.982 -7.401 -13.520 1.00 2.10 O ATOM 0 H GLU A 90 3.810 -8.177 -9.302 1.00 0.49 H new ATOM 0 HA GLU A 90 4.415 -6.266 -11.476 1.00 0.53 H new ATOM 0 HB2 GLU A 90 2.456 -8.602 -11.418 1.00 0.67 H new ATOM 0 HB3 GLU A 90 2.384 -7.320 -12.610 1.00 0.67 H new ATOM 0 HG2 GLU A 90 4.784 -9.132 -12.184 1.00 1.26 H new ATOM 0 HG3 GLU A 90 3.547 -9.393 -13.397 1.00 1.26 H new ATOM 1366 N PRO A 91 2.228 -4.965 -11.019 1.00 0.47 N ATOM 1367 CA PRO A 91 1.099 -4.134 -10.606 1.00 0.45 C ATOM 1368 C PRO A 91 -0.221 -4.875 -10.794 1.00 0.44 C ATOM 1369 O PRO A 91 -0.522 -5.361 -11.884 1.00 0.51 O ATOM 1370 CB PRO A 91 1.168 -2.914 -11.537 1.00 0.54 C ATOM 1371 CG PRO A 91 2.494 -3.001 -12.216 1.00 0.64 C ATOM 1372 CD PRO A 91 2.851 -4.458 -12.246 1.00 0.60 C ATOM 0 HA PRO A 91 1.149 -3.863 -9.551 1.00 0.45 H new ATOM 0 HB2 PRO A 91 0.355 -2.928 -12.262 1.00 0.54 H new ATOM 0 HB3 PRO A 91 1.076 -1.985 -10.974 1.00 0.54 H new ATOM 0 HG2 PRO A 91 2.443 -2.591 -13.225 1.00 0.64 H new ATOM 0 HG3 PRO A 91 3.247 -2.426 -11.676 1.00 0.64 H new ATOM 0 HD2 PRO A 91 2.459 -4.953 -13.134 1.00 0.60 H new ATOM 0 HD3 PRO A 91 3.930 -4.611 -12.246 1.00 0.60 H new ATOM 1380 N VAL A 92 -0.996 -4.962 -9.729 1.00 0.41 N ATOM 1381 CA VAL A 92 -2.257 -5.684 -9.750 1.00 0.44 C ATOM 1382 C VAL A 92 -3.401 -4.748 -9.394 1.00 0.46 C ATOM 1383 O VAL A 92 -3.229 -3.530 -9.340 1.00 0.58 O ATOM 1384 CB VAL A 92 -2.245 -6.879 -8.765 1.00 0.46 C ATOM 1385 CG1 VAL A 92 -1.202 -7.906 -9.176 1.00 0.50 C ATOM 1386 CG2 VAL A 92 -1.993 -6.409 -7.341 1.00 0.46 C ATOM 0 H VAL A 92 -0.772 -4.537 -8.829 1.00 0.41 H new ATOM 0 HA VAL A 92 -2.397 -6.073 -10.759 1.00 0.44 H new ATOM 0 HB VAL A 92 -3.227 -7.351 -8.800 1.00 0.46 H new ATOM 0 HG11 VAL A 92 -1.211 -8.736 -8.470 1.00 0.50 H new ATOM 0 HG12 VAL A 92 -1.430 -8.277 -10.175 1.00 0.50 H new ATOM 0 HG13 VAL A 92 -0.216 -7.442 -9.178 1.00 0.50 H new ATOM 0 HG21 VAL A 92 -1.990 -7.268 -6.670 1.00 0.46 H new ATOM 0 HG22 VAL A 92 -1.028 -5.904 -7.290 1.00 0.46 H new ATOM 0 HG23 VAL A 92 -2.780 -5.717 -7.041 1.00 0.46 H new ATOM 1396 N LEU A 93 -4.566 -5.315 -9.159 1.00 0.56 N ATOM 1397 CA LEU A 93 -5.730 -4.531 -8.800 1.00 0.59 C ATOM 1398 C LEU A 93 -6.473 -5.190 -7.656 1.00 0.56 C ATOM 1399 O LEU A 93 -6.700 -6.403 -7.674 1.00 0.66 O ATOM 1400 CB LEU A 93 -6.659 -4.363 -9.999 1.00 0.67 C ATOM 1401 CG LEU A 93 -7.959 -3.612 -9.706 1.00 0.87 C ATOM 1402 CD1 LEU A 93 -7.664 -2.193 -9.235 1.00 1.32 C ATOM 1403 CD2 LEU A 93 -8.846 -3.596 -10.940 1.00 1.49 C ATOM 0 H LEU A 93 -4.733 -6.320 -9.210 1.00 0.56 H new ATOM 0 HA LEU A 93 -5.393 -3.544 -8.483 1.00 0.59 H new ATOM 0 HB2 LEU A 93 -6.121 -3.835 -10.786 1.00 0.67 H new ATOM 0 HB3 LEU A 93 -6.907 -5.350 -10.389 1.00 0.67 H new ATOM 0 HG LEU A 93 -8.488 -4.131 -8.907 1.00 0.87 H new ATOM 0 HD11 LEU A 93 -8.601 -1.675 -9.032 1.00 1.32 H new ATOM 0 HD12 LEU A 93 -7.064 -2.229 -8.325 1.00 1.32 H new ATOM 0 HD13 LEU A 93 -7.115 -1.659 -10.011 1.00 1.32 H new ATOM 0 HD21 LEU A 93 -9.768 -3.059 -10.718 1.00 1.49 H new ATOM 0 HD22 LEU A 93 -8.324 -3.099 -11.757 1.00 1.49 H new ATOM 0 HD23 LEU A 93 -9.083 -4.619 -11.231 1.00 1.49 H new ATOM 1415 N ASP A 94 -6.823 -4.392 -6.661 1.00 0.57 N ATOM 1416 CA ASP A 94 -7.600 -4.863 -5.527 1.00 0.54 C ATOM 1417 C ASP A 94 -9.073 -4.544 -5.738 1.00 0.53 C ATOM 1418 O ASP A 94 -9.473 -3.379 -5.776 1.00 0.54 O ATOM 1419 CB ASP A 94 -7.104 -4.219 -4.228 1.00 0.56 C ATOM 1420 CG ASP A 94 -7.944 -4.588 -3.016 1.00 0.64 C ATOM 1421 OD1 ASP A 94 -8.674 -5.599 -3.089 1.00 0.85 O ATOM 1422 OD2 ASP A 94 -7.873 -3.877 -1.988 1.00 0.85 O ATOM 0 H ASP A 94 -6.578 -3.403 -6.617 1.00 0.57 H new ATOM 0 HA ASP A 94 -7.476 -5.943 -5.446 1.00 0.54 H new ATOM 0 HB2 ASP A 94 -6.072 -4.521 -4.052 1.00 0.56 H new ATOM 0 HB3 ASP A 94 -7.103 -3.135 -4.345 1.00 0.56 H new ATOM 1427 N PRO A 95 -9.899 -5.580 -5.903 1.00 0.59 N ATOM 1428 CA PRO A 95 -11.346 -5.421 -6.054 1.00 0.66 C ATOM 1429 C PRO A 95 -12.004 -4.872 -4.789 1.00 0.64 C ATOM 1430 O PRO A 95 -13.165 -4.463 -4.812 1.00 0.74 O ATOM 1431 CB PRO A 95 -11.839 -6.847 -6.339 1.00 0.75 C ATOM 1432 CG PRO A 95 -10.624 -7.603 -6.748 1.00 0.77 C ATOM 1433 CD PRO A 95 -9.493 -6.987 -5.984 1.00 0.66 C ATOM 0 HA PRO A 95 -11.596 -4.707 -6.839 1.00 0.66 H new ATOM 0 HB2 PRO A 95 -12.299 -7.289 -5.455 1.00 0.75 H new ATOM 0 HB3 PRO A 95 -12.592 -6.854 -7.128 1.00 0.75 H new ATOM 0 HG2 PRO A 95 -10.724 -8.663 -6.514 1.00 0.77 H new ATOM 0 HG3 PRO A 95 -10.458 -7.528 -7.823 1.00 0.77 H new ATOM 0 HD2 PRO A 95 -9.378 -7.434 -4.997 1.00 0.66 H new ATOM 0 HD3 PRO A 95 -8.541 -7.106 -6.501 1.00 0.66 H new ATOM 1441 N HIS A 96 -11.260 -4.859 -3.686 1.00 0.58 N ATOM 1442 CA HIS A 96 -11.794 -4.412 -2.407 1.00 0.64 C ATOM 1443 C HIS A 96 -11.018 -3.218 -1.868 1.00 0.57 C ATOM 1444 O HIS A 96 -10.934 -3.030 -0.651 1.00 0.58 O ATOM 1445 CB HIS A 96 -11.755 -5.545 -1.378 1.00 0.80 C ATOM 1446 CG HIS A 96 -12.479 -6.782 -1.806 1.00 1.01 C ATOM 1447 ND1 HIS A 96 -13.817 -6.993 -1.571 1.00 1.93 N ATOM 1448 CD2 HIS A 96 -12.038 -7.880 -2.456 1.00 1.18 C ATOM 1449 CE1 HIS A 96 -14.166 -8.168 -2.054 1.00 1.93 C ATOM 1450 NE2 HIS A 96 -13.105 -8.732 -2.597 1.00 1.31 N ATOM 0 H HIS A 96 -10.284 -5.154 -3.655 1.00 0.58 H new ATOM 0 HA HIS A 96 -12.828 -4.111 -2.576 1.00 0.64 H new ATOM 0 HB2 HIS A 96 -10.715 -5.798 -1.171 1.00 0.80 H new ATOM 0 HB3 HIS A 96 -12.188 -5.188 -0.444 1.00 0.80 H new ATOM 0 HD2 HIS A 96 -11.030 -8.056 -2.802 1.00 1.18 H new ATOM 0 HE1 HIS A 96 -15.156 -8.598 -2.012 1.00 1.93 H new ATOM 0 HE2 HIS A 96 -13.081 -9.647 -3.046 1.00 1.31 H new ATOM 1459 N LEU A 97 -10.467 -2.410 -2.773 1.00 0.56 N ATOM 1460 CA LEU A 97 -9.737 -1.200 -2.392 1.00 0.54 C ATOM 1461 C LEU A 97 -10.543 -0.363 -1.414 1.00 0.54 C ATOM 1462 O LEU A 97 -10.030 0.073 -0.384 1.00 0.55 O ATOM 1463 CB LEU A 97 -9.417 -0.351 -3.624 1.00 0.59 C ATOM 1464 CG LEU A 97 -8.327 -0.888 -4.544 1.00 0.62 C ATOM 1465 CD1 LEU A 97 -8.319 -0.105 -5.838 1.00 0.73 C ATOM 1466 CD2 LEU A 97 -6.970 -0.805 -3.868 1.00 0.63 C ATOM 0 H LEU A 97 -10.512 -2.572 -3.779 1.00 0.56 H new ATOM 0 HA LEU A 97 -8.809 -1.516 -1.915 1.00 0.54 H new ATOM 0 HB2 LEU A 97 -10.331 -0.234 -4.207 1.00 0.59 H new ATOM 0 HB3 LEU A 97 -9.123 0.644 -3.288 1.00 0.59 H new ATOM 0 HG LEU A 97 -8.535 -1.935 -4.763 1.00 0.62 H new ATOM 0 HD11 LEU A 97 -7.538 -0.492 -6.493 1.00 0.73 H new ATOM 0 HD12 LEU A 97 -9.287 -0.204 -6.329 1.00 0.73 H new ATOM 0 HD13 LEU A 97 -8.126 0.947 -5.626 1.00 0.73 H new ATOM 0 HD21 LEU A 97 -6.204 -1.193 -4.540 1.00 0.63 H new ATOM 0 HD22 LEU A 97 -6.747 0.234 -3.625 1.00 0.63 H new ATOM 0 HD23 LEU A 97 -6.983 -1.397 -2.953 1.00 0.63 H new ATOM 1478 N ALA A 98 -11.814 -0.167 -1.737 1.00 0.58 N ATOM 1479 CA ALA A 98 -12.695 0.652 -0.919 1.00 0.63 C ATOM 1480 C ALA A 98 -12.820 0.090 0.490 1.00 0.61 C ATOM 1481 O ALA A 98 -12.919 0.842 1.452 1.00 0.65 O ATOM 1482 CB ALA A 98 -14.063 0.766 -1.569 1.00 0.74 C ATOM 0 H ALA A 98 -12.259 -0.566 -2.564 1.00 0.58 H new ATOM 0 HA ALA A 98 -12.257 1.647 -0.844 1.00 0.63 H new ATOM 0 HB1 ALA A 98 -14.712 1.382 -0.946 1.00 0.74 H new ATOM 0 HB2 ALA A 98 -13.962 1.226 -2.552 1.00 0.74 H new ATOM 0 HB3 ALA A 98 -14.499 -0.227 -1.676 1.00 0.74 H new ATOM 1488 N LYS A 99 -12.797 -1.231 0.611 1.00 0.60 N ATOM 1489 CA LYS A 99 -12.882 -1.867 1.916 1.00 0.64 C ATOM 1490 C LYS A 99 -11.571 -1.710 2.665 1.00 0.58 C ATOM 1491 O LYS A 99 -11.563 -1.391 3.854 1.00 0.61 O ATOM 1492 CB LYS A 99 -13.222 -3.346 1.784 1.00 0.73 C ATOM 1493 CG LYS A 99 -13.339 -4.056 3.128 1.00 0.89 C ATOM 1494 CD LYS A 99 -13.940 -5.445 2.997 1.00 1.73 C ATOM 1495 CE LYS A 99 -15.398 -5.378 2.581 1.00 2.30 C ATOM 1496 NZ LYS A 99 -16.016 -6.727 2.507 1.00 2.81 N ATOM 0 H LYS A 99 -12.721 -1.878 -0.174 1.00 0.60 H new ATOM 0 HA LYS A 99 -13.679 -1.377 2.475 1.00 0.64 H new ATOM 0 HB2 LYS A 99 -14.162 -3.449 1.242 1.00 0.73 H new ATOM 0 HB3 LYS A 99 -12.454 -3.837 1.186 1.00 0.73 H new ATOM 0 HG2 LYS A 99 -12.352 -4.131 3.583 1.00 0.89 H new ATOM 0 HG3 LYS A 99 -13.955 -3.458 3.800 1.00 0.89 H new ATOM 0 HD2 LYS A 99 -13.376 -6.020 2.262 1.00 1.73 H new ATOM 0 HD3 LYS A 99 -13.855 -5.972 3.948 1.00 1.73 H new ATOM 0 HE2 LYS A 99 -15.951 -4.764 3.292 1.00 2.30 H new ATOM 0 HE3 LYS A 99 -15.476 -4.889 1.610 1.00 2.30 H new ATOM 0 HZ1 LYS A 99 -17.012 -6.638 2.220 1.00 2.81 H new ATOM 0 HZ2 LYS A 99 -15.505 -7.305 1.810 1.00 2.81 H new ATOM 0 HZ3 LYS A 99 -15.965 -7.184 3.440 1.00 2.81 H new ATOM 1510 N HIS A 100 -10.465 -1.931 1.961 1.00 0.55 N ATOM 1511 CA HIS A 100 -9.144 -1.784 2.563 1.00 0.59 C ATOM 1512 C HIS A 100 -8.967 -0.374 3.109 1.00 0.57 C ATOM 1513 O HIS A 100 -8.427 -0.180 4.195 1.00 0.62 O ATOM 1514 CB HIS A 100 -8.028 -2.096 1.554 1.00 0.69 C ATOM 1515 CG HIS A 100 -6.654 -1.923 2.123 1.00 1.73 C ATOM 1516 ND1 HIS A 100 -6.226 -2.575 3.257 1.00 2.69 N ATOM 1517 CD2 HIS A 100 -5.617 -1.152 1.719 1.00 2.45 C ATOM 1518 CE1 HIS A 100 -4.989 -2.213 3.529 1.00 3.49 C ATOM 1519 NE2 HIS A 100 -4.594 -1.350 2.611 1.00 3.34 N ATOM 0 H HIS A 100 -10.456 -2.211 0.980 1.00 0.55 H new ATOM 0 HA HIS A 100 -9.072 -2.501 3.381 1.00 0.59 H new ATOM 0 HB2 HIS A 100 -8.142 -3.121 1.201 1.00 0.69 H new ATOM 0 HB3 HIS A 100 -8.139 -1.446 0.686 1.00 0.69 H new ATOM 0 HD1 HIS A 100 -6.780 -3.236 3.802 1.00 2.69 H new ATOM 0 HD2 HIS A 100 -5.599 -0.503 0.856 1.00 2.45 H new ATOM 0 HE1 HIS A 100 -4.398 -2.563 4.362 1.00 3.49 H new ATOM 1528 N LEU A 101 -9.429 0.605 2.349 1.00 0.58 N ATOM 1529 CA LEU A 101 -9.314 1.995 2.743 1.00 0.66 C ATOM 1530 C LEU A 101 -10.313 2.340 3.839 1.00 0.68 C ATOM 1531 O LEU A 101 -9.959 2.988 4.818 1.00 0.76 O ATOM 1532 CB LEU A 101 -9.521 2.902 1.535 1.00 0.70 C ATOM 1533 CG LEU A 101 -8.623 2.592 0.340 1.00 0.72 C ATOM 1534 CD1 LEU A 101 -8.818 3.624 -0.759 1.00 0.81 C ATOM 1535 CD2 LEU A 101 -7.160 2.518 0.759 1.00 0.79 C ATOM 0 H LEU A 101 -9.890 0.459 1.451 1.00 0.58 H new ATOM 0 HA LEU A 101 -8.311 2.153 3.139 1.00 0.66 H new ATOM 0 HB2 LEU A 101 -10.561 2.830 1.218 1.00 0.70 H new ATOM 0 HB3 LEU A 101 -9.352 3.935 1.840 1.00 0.70 H new ATOM 0 HG LEU A 101 -8.908 1.616 -0.052 1.00 0.72 H new ATOM 0 HD11 LEU A 101 -8.169 3.385 -1.602 1.00 0.81 H new ATOM 0 HD12 LEU A 101 -9.857 3.614 -1.087 1.00 0.81 H new ATOM 0 HD13 LEU A 101 -8.568 4.614 -0.377 1.00 0.81 H new ATOM 0 HD21 LEU A 101 -6.543 2.296 -0.112 1.00 0.79 H new ATOM 0 HD22 LEU A 101 -6.855 3.473 1.186 1.00 0.79 H new ATOM 0 HD23 LEU A 101 -7.034 1.732 1.503 1.00 0.79 H new ATOM 1547 N ALA A 102 -11.551 1.894 3.681 1.00 0.68 N ATOM 1548 CA ALA A 102 -12.597 2.176 4.667 1.00 0.78 C ATOM 1549 C ALA A 102 -12.251 1.595 6.032 1.00 0.76 C ATOM 1550 O ALA A 102 -12.473 2.231 7.064 1.00 0.85 O ATOM 1551 CB ALA A 102 -13.941 1.647 4.199 1.00 0.88 C ATOM 0 H ALA A 102 -11.860 1.337 2.884 1.00 0.68 H new ATOM 0 HA ALA A 102 -12.663 3.259 4.767 1.00 0.78 H new ATOM 0 HB1 ALA A 102 -14.700 1.869 4.949 1.00 0.88 H new ATOM 0 HB2 ALA A 102 -14.211 2.123 3.257 1.00 0.88 H new ATOM 0 HB3 ALA A 102 -13.877 0.568 4.055 1.00 0.88 H new ATOM 1557 N HIS A 103 -11.689 0.392 6.032 1.00 0.72 N ATOM 1558 CA HIS A 103 -11.224 -0.245 7.262 1.00 0.79 C ATOM 1559 C HIS A 103 -10.153 0.620 7.922 1.00 0.88 C ATOM 1560 O HIS A 103 -9.921 0.543 9.127 1.00 1.02 O ATOM 1561 CB HIS A 103 -10.663 -1.635 6.935 1.00 0.86 C ATOM 1562 CG HIS A 103 -10.205 -2.431 8.125 1.00 1.10 C ATOM 1563 ND1 HIS A 103 -10.955 -3.442 8.680 1.00 1.75 N ATOM 1564 CD2 HIS A 103 -9.057 -2.378 8.846 1.00 1.50 C ATOM 1565 CE1 HIS A 103 -10.290 -3.977 9.690 1.00 1.77 C ATOM 1566 NE2 HIS A 103 -9.135 -3.351 9.811 1.00 1.52 N ATOM 0 H HIS A 103 -11.543 -0.166 5.190 1.00 0.72 H new ATOM 0 HA HIS A 103 -12.058 -0.353 7.955 1.00 0.79 H new ATOM 0 HB2 HIS A 103 -11.429 -2.205 6.409 1.00 0.86 H new ATOM 0 HB3 HIS A 103 -9.824 -1.519 6.249 1.00 0.86 H new ATOM 0 HD2 HIS A 103 -8.234 -1.696 8.690 1.00 1.50 H new ATOM 0 HE1 HIS A 103 -10.635 -4.790 10.312 1.00 1.77 H new ATOM 0 HE2 HIS A 103 -8.418 -3.556 10.507 1.00 1.52 H new ATOM 1575 N PHE A 104 -9.539 1.468 7.113 1.00 0.86 N ATOM 1576 CA PHE A 104 -8.414 2.283 7.536 1.00 1.03 C ATOM 1577 C PHE A 104 -8.849 3.720 7.802 1.00 1.11 C ATOM 1578 O PHE A 104 -8.052 4.548 8.247 1.00 1.29 O ATOM 1579 CB PHE A 104 -7.332 2.239 6.452 1.00 1.06 C ATOM 1580 CG PHE A 104 -6.431 1.036 6.552 1.00 1.10 C ATOM 1581 CD1 PHE A 104 -6.931 -0.196 6.957 1.00 1.34 C ATOM 1582 CD2 PHE A 104 -5.087 1.134 6.249 1.00 1.24 C ATOM 1583 CE1 PHE A 104 -6.106 -1.298 7.057 1.00 1.40 C ATOM 1584 CE2 PHE A 104 -4.257 0.035 6.346 1.00 1.35 C ATOM 1585 CZ PHE A 104 -4.767 -1.183 6.751 1.00 1.30 C ATOM 0 H PHE A 104 -9.809 1.610 6.140 1.00 0.86 H new ATOM 0 HA PHE A 104 -8.014 1.884 8.468 1.00 1.03 H new ATOM 0 HB2 PHE A 104 -7.810 2.245 5.472 1.00 1.06 H new ATOM 0 HB3 PHE A 104 -6.727 3.143 6.517 1.00 1.06 H new ATOM 0 HD1 PHE A 104 -7.980 -0.292 7.197 1.00 1.34 H new ATOM 0 HD2 PHE A 104 -4.680 2.083 5.932 1.00 1.24 H new ATOM 0 HE1 PHE A 104 -6.509 -2.248 7.374 1.00 1.40 H new ATOM 0 HE2 PHE A 104 -3.208 0.128 6.105 1.00 1.35 H new ATOM 0 HZ PHE A 104 -4.118 -2.043 6.828 1.00 1.30 H new ATOM 1595 N GLY A 105 -10.118 4.010 7.530 1.00 1.03 N ATOM 1596 CA GLY A 105 -10.626 5.358 7.701 1.00 1.17 C ATOM 1597 C GLY A 105 -10.300 6.237 6.508 1.00 1.18 C ATOM 1598 O GLY A 105 -10.536 7.447 6.526 1.00 1.35 O ATOM 0 H GLY A 105 -10.804 3.334 7.194 1.00 1.03 H new ATOM 0 HA2 GLY A 105 -11.706 5.324 7.844 1.00 1.17 H new ATOM 0 HA3 GLY A 105 -10.199 5.796 8.603 1.00 1.17 H new ATOM 1602 N ILE A 106 -9.752 5.617 5.478 1.00 1.03 N ATOM 1603 CA ILE A 106 -9.378 6.310 4.260 1.00 1.04 C ATOM 1604 C ILE A 106 -10.566 6.399 3.309 1.00 0.98 C ATOM 1605 O ILE A 106 -11.055 5.388 2.810 1.00 0.96 O ATOM 1606 CB ILE A 106 -8.203 5.594 3.570 1.00 0.98 C ATOM 1607 CG1 ILE A 106 -7.002 5.535 4.513 1.00 1.16 C ATOM 1608 CG2 ILE A 106 -7.837 6.307 2.278 1.00 0.98 C ATOM 1609 CD1 ILE A 106 -5.828 4.777 3.941 1.00 1.22 C ATOM 0 H ILE A 106 -9.554 4.617 5.464 1.00 1.03 H new ATOM 0 HA ILE A 106 -9.065 7.320 4.525 1.00 1.04 H new ATOM 0 HB ILE A 106 -8.503 4.575 3.325 1.00 0.98 H new ATOM 0 HG12 ILE A 106 -6.687 6.551 4.753 1.00 1.16 H new ATOM 0 HG13 ILE A 106 -7.307 5.066 5.449 1.00 1.16 H new ATOM 0 HG21 ILE A 106 -7.005 5.790 1.800 1.00 0.98 H new ATOM 0 HG22 ILE A 106 -8.696 6.308 1.607 1.00 0.98 H new ATOM 0 HG23 ILE A 106 -7.547 7.334 2.499 1.00 0.98 H new ATOM 0 HD11 ILE A 106 -5.011 4.774 4.662 1.00 1.22 H new ATOM 0 HD12 ILE A 106 -6.127 3.751 3.727 1.00 1.22 H new ATOM 0 HD13 ILE A 106 -5.498 5.258 3.020 1.00 1.22 H new ATOM 1621 N ASP A 107 -11.034 7.614 3.076 1.00 1.09 N ATOM 1622 CA ASP A 107 -12.198 7.827 2.229 1.00 1.17 C ATOM 1623 C ASP A 107 -11.777 8.231 0.828 1.00 1.10 C ATOM 1624 O ASP A 107 -11.132 9.262 0.627 1.00 1.21 O ATOM 1625 CB ASP A 107 -13.092 8.909 2.816 1.00 1.52 C ATOM 1626 CG ASP A 107 -14.404 9.033 2.069 1.00 1.93 C ATOM 1627 OD1 ASP A 107 -15.228 8.100 2.143 1.00 2.60 O ATOM 1628 OD2 ASP A 107 -14.610 10.062 1.399 1.00 2.14 O ATOM 0 H ASP A 107 -10.627 8.467 3.460 1.00 1.09 H new ATOM 0 HA ASP A 107 -12.751 6.889 2.178 1.00 1.17 H new ATOM 0 HB2 ASP A 107 -13.292 8.684 3.864 1.00 1.52 H new ATOM 0 HB3 ASP A 107 -12.569 9.865 2.789 1.00 1.52 H new ATOM 1633 N MET A 108 -12.148 7.407 -0.136 1.00 0.98 N ATOM 1634 CA MET A 108 -11.838 7.661 -1.533 1.00 0.94 C ATOM 1635 C MET A 108 -12.531 8.922 -2.013 1.00 1.07 C ATOM 1636 O MET A 108 -11.971 9.709 -2.775 1.00 1.20 O ATOM 1637 CB MET A 108 -12.300 6.495 -2.411 1.00 0.87 C ATOM 1638 CG MET A 108 -11.743 5.142 -2.003 1.00 0.96 C ATOM 1639 SD MET A 108 -12.512 4.487 -0.506 1.00 1.72 S ATOM 1640 CE MET A 108 -14.233 4.433 -0.999 1.00 2.07 C ATOM 0 H MET A 108 -12.671 6.546 0.026 1.00 0.98 H new ATOM 0 HA MET A 108 -10.757 7.778 -1.612 1.00 0.94 H new ATOM 0 HB2 MET A 108 -13.389 6.448 -2.388 1.00 0.87 H new ATOM 0 HB3 MET A 108 -12.012 6.697 -3.443 1.00 0.87 H new ATOM 0 HG2 MET A 108 -11.888 4.434 -2.819 1.00 0.96 H new ATOM 0 HG3 MET A 108 -10.668 5.230 -1.844 1.00 0.96 H new ATOM 0 HE1 MET A 108 -14.752 3.667 -0.423 1.00 2.07 H new ATOM 0 HE2 MET A 108 -14.695 5.402 -0.813 1.00 2.07 H new ATOM 0 HE3 MET A 108 -14.300 4.197 -2.061 1.00 2.07 H new ATOM 1650 N LEU A 109 -13.747 9.111 -1.542 1.00 1.17 N ATOM 1651 CA LEU A 109 -14.598 10.176 -2.036 1.00 1.40 C ATOM 1652 C LEU A 109 -14.219 11.520 -1.425 1.00 1.71 C ATOM 1653 O LEU A 109 -14.795 12.550 -1.765 1.00 2.17 O ATOM 1654 CB LEU A 109 -16.055 9.839 -1.743 1.00 1.57 C ATOM 1655 CG LEU A 109 -16.498 8.452 -2.219 1.00 1.50 C ATOM 1656 CD1 LEU A 109 -17.985 8.266 -1.987 1.00 1.89 C ATOM 1657 CD2 LEU A 109 -16.150 8.242 -3.686 1.00 1.30 C ATOM 0 H LEU A 109 -14.171 8.537 -0.813 1.00 1.17 H new ATOM 0 HA LEU A 109 -14.459 10.261 -3.114 1.00 1.40 H new ATOM 0 HB2 LEU A 109 -16.221 9.910 -0.668 1.00 1.57 H new ATOM 0 HB3 LEU A 109 -16.689 10.590 -2.214 1.00 1.57 H new ATOM 0 HG LEU A 109 -15.960 7.703 -1.638 1.00 1.50 H new ATOM 0 HD11 LEU A 109 -18.286 7.276 -2.330 1.00 1.89 H new ATOM 0 HD12 LEU A 109 -18.202 8.363 -0.923 1.00 1.89 H new ATOM 0 HD13 LEU A 109 -18.537 9.025 -2.541 1.00 1.89 H new ATOM 0 HD21 LEU A 109 -16.475 7.250 -3.999 1.00 1.30 H new ATOM 0 HD22 LEU A 109 -16.653 8.996 -4.291 1.00 1.30 H new ATOM 0 HD23 LEU A 109 -15.072 8.330 -3.820 1.00 1.30 H new ATOM 1669 N HIS A 110 -13.242 11.510 -0.528 1.00 1.70 N ATOM 1670 CA HIS A 110 -12.748 12.741 0.073 1.00 2.08 C ATOM 1671 C HIS A 110 -11.952 13.531 -0.958 1.00 2.42 C ATOM 1672 O HIS A 110 -11.826 14.747 -0.868 1.00 2.88 O ATOM 1673 CB HIS A 110 -11.875 12.432 1.296 1.00 2.46 C ATOM 1674 CG HIS A 110 -11.582 13.632 2.146 1.00 2.88 C ATOM 1675 ND1 HIS A 110 -10.419 14.365 2.050 1.00 3.40 N ATOM 1676 CD2 HIS A 110 -12.317 14.226 3.115 1.00 3.25 C ATOM 1677 CE1 HIS A 110 -10.453 15.354 2.922 1.00 3.81 C ATOM 1678 NE2 HIS A 110 -11.592 15.292 3.580 1.00 3.69 N ATOM 0 H HIS A 110 -12.776 10.664 -0.201 1.00 1.70 H new ATOM 0 HA HIS A 110 -13.598 13.338 0.403 1.00 2.08 H new ATOM 0 HB2 HIS A 110 -12.373 11.679 1.906 1.00 2.46 H new ATOM 0 HB3 HIS A 110 -10.934 11.998 0.959 1.00 2.46 H new ATOM 0 HD2 HIS A 110 -13.293 13.917 3.458 1.00 3.25 H new ATOM 0 HE1 HIS A 110 -9.677 16.091 3.071 1.00 3.81 H new ATOM 0 HE2 HIS A 110 -11.887 15.933 4.316 1.00 3.69 H new ATOM 1687 N MET A 111 -11.434 12.818 -1.951 1.00 2.65 N ATOM 1688 CA MET A 111 -10.684 13.440 -3.036 1.00 3.48 C ATOM 1689 C MET A 111 -11.594 13.707 -4.234 1.00 3.63 C ATOM 1690 O MET A 111 -11.145 14.172 -5.280 1.00 4.24 O ATOM 1691 CB MET A 111 -9.509 12.553 -3.448 1.00 4.22 C ATOM 1692 CG MET A 111 -8.411 12.471 -2.397 1.00 4.76 C ATOM 1693 SD MET A 111 -7.129 11.274 -2.818 1.00 5.56 S ATOM 1694 CE MET A 111 -8.063 9.749 -2.738 1.00 6.12 C ATOM 0 H MET A 111 -11.520 11.805 -2.027 1.00 2.65 H new ATOM 0 HA MET A 111 -10.293 14.394 -2.681 1.00 3.48 H new ATOM 0 HB2 MET A 111 -9.878 11.549 -3.655 1.00 4.22 H new ATOM 0 HB3 MET A 111 -9.084 12.935 -4.376 1.00 4.22 H new ATOM 0 HG2 MET A 111 -7.957 13.455 -2.275 1.00 4.76 H new ATOM 0 HG3 MET A 111 -8.852 12.202 -1.437 1.00 4.76 H new ATOM 0 HE1 MET A 111 -7.407 8.936 -2.426 1.00 6.12 H new ATOM 0 HE2 MET A 111 -8.875 9.857 -2.019 1.00 6.12 H new ATOM 0 HE3 MET A 111 -8.477 9.524 -3.721 1.00 6.12 H new ATOM 1704 N HIS A 112 -12.875 13.408 -4.070 1.00 3.37 N ATOM 1705 CA HIS A 112 -13.860 13.669 -5.109 1.00 3.76 C ATOM 1706 C HIS A 112 -15.128 14.233 -4.482 1.00 3.53 C ATOM 1707 O HIS A 112 -15.173 15.416 -4.153 1.00 4.16 O ATOM 1708 CB HIS A 112 -14.154 12.400 -5.921 1.00 4.50 C ATOM 1709 CG HIS A 112 -15.056 12.622 -7.101 1.00 5.27 C ATOM 1710 ND1 HIS A 112 -14.797 13.549 -8.085 1.00 5.75 N ATOM 1711 CD2 HIS A 112 -16.223 12.029 -7.448 1.00 6.01 C ATOM 1712 CE1 HIS A 112 -15.765 13.519 -8.981 1.00 6.61 C ATOM 1713 NE2 HIS A 112 -16.644 12.605 -8.619 1.00 6.78 N ATOM 0 H HIS A 112 -13.257 12.983 -3.225 1.00 3.37 H new ATOM 0 HA HIS A 112 -13.457 14.407 -5.802 1.00 3.76 H new ATOM 0 HB2 HIS A 112 -13.211 11.980 -6.272 1.00 4.50 H new ATOM 0 HB3 HIS A 112 -14.609 11.659 -5.264 1.00 4.50 H new ATOM 0 HD2 HIS A 112 -16.729 11.246 -6.903 1.00 6.01 H new ATOM 0 HE1 HIS A 112 -15.827 14.139 -9.863 1.00 6.61 H new ATOM 0 HE2 HIS A 112 -17.496 12.366 -9.126 1.00 6.78 H new ATOM 1722 N GLY A 113 -16.127 13.385 -4.266 1.00 2.99 N ATOM 1723 CA GLY A 113 -17.393 13.852 -3.733 1.00 3.33 C ATOM 1724 C GLY A 113 -18.159 14.703 -4.727 1.00 3.80 C ATOM 1725 O GLY A 113 -19.114 14.230 -5.348 1.00 4.08 O ATOM 0 H GLY A 113 -16.083 12.383 -4.450 1.00 2.99 H new ATOM 0 HA2 GLY A 113 -18.002 12.995 -3.447 1.00 3.33 H new ATOM 0 HA3 GLY A 113 -17.212 14.430 -2.827 1.00 3.33 H new ATOM 1729 N THR A 114 -17.704 15.944 -4.904 1.00 4.30 N ATOM 1730 CA THR A 114 -18.353 16.927 -5.770 1.00 5.21 C ATOM 1731 C THR A 114 -19.869 16.935 -5.578 1.00 5.66 C ATOM 1732 O THR A 114 -20.327 17.472 -4.552 1.00 6.13 O ATOM 1733 CB THR A 114 -17.992 16.712 -7.261 1.00 5.98 C ATOM 1734 OG1 THR A 114 -18.133 15.332 -7.622 1.00 6.34 O ATOM 1735 CG2 THR A 114 -16.567 17.164 -7.540 1.00 6.29 C ATOM 1736 OXT THR A 114 -20.597 16.406 -6.445 1.00 5.90 O ATOM 0 H THR A 114 -16.865 16.298 -4.445 1.00 4.30 H new ATOM 0 HA THR A 114 -17.971 17.904 -5.474 1.00 5.21 H new ATOM 0 HB THR A 114 -18.679 17.310 -7.859 1.00 5.98 H new ATOM 0 HG1 THR A 114 -18.980 14.987 -7.270 1.00 6.34 H new ATOM 0 HG21 THR A 114 -16.334 17.004 -8.593 1.00 6.29 H new ATOM 0 HG22 THR A 114 -16.468 18.223 -7.303 1.00 6.29 H new ATOM 0 HG23 THR A 114 -15.876 16.589 -6.924 1.00 6.29 H new TER 1744 THR A 114 HETATM 1745 ZN ZN A 124 10.686 5.116 3.279 1.00 0.64 ZN