USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=26 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 HE2:sc= 1.04 K(o=2.4,f=-5.6!) USER MOD Set 1.2: A 114 THR OG1 : rot 39:sc= 1.34 USER MOD Set 2.1: A 41 SER OG : rot 26:sc= 1.28 USER MOD Set 2.2: A 61 HIS : no HD1:sc= -0.31 K(o=0.97,f=-3.9!) USER MOD Set 3.1: A 36 ASN : amide:sc= -5.01! C(o=-4.9!,f=-9.6!) USER MOD Set 3.2: A 38 THR OG1 : rot 180:sc= 0.0806 USER MOD Set 4.1: A 20 SER OG : rot -125:sc= 0.588 USER MOD Set 4.2: A 110 HIS : no HE2:sc= 0.96 K(o=1.5,f=-4.2!) USER MOD Set 5.1: A 6 ASN : amide:sc= -0.0179 K(o=-0.035,f=-1.4) USER MOD Set 5.2: A 96 HIS : no HD1:sc= -0.0171 X(o=-0.035,f=0) USER MOD Single : A 1 VAL N :NH3+ 140:sc= -0.0601 (180deg=-0.528) USER MOD Single : A 2 SER OG : rot 180:sc= -0.873 USER MOD Single : A 3 LYS NZ :NH3+ 168:sc= 2.42 (180deg=1.9) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.0782 USER MOD Single : A 7 ASN : amide:sc= -0.0943 K(o=-0.094,f=-2.7!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.265 K(o=0.27,f=-2.3!) USER MOD Single : A 13 ASN : amide:sc= -0.116 K(o=-0.12,f=-0.84) USER MOD Single : A 23 LYS NZ :NH3+ -110:sc= -2.14! (180deg=-4.62!) USER MOD Single : A 32 ASN : amide:sc= -0.732 K(o=-0.73,f=-0.16) USER MOD Single : A 46 LYS NZ :NH3+ -153:sc= 0.403 (180deg=0.112) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.941 K(o=-0.94,f=-0.009) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -159:sc= -0.234 (180deg=-0.826) USER MOD Single : A 67 TYR OH : rot 180:sc= -1.13 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -96:sc= 1.28 USER MOD Single : A 77 THR OG1 : rot -31:sc= 1.06 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -1.35 K(o=-1.3,f=-6!) USER MOD Single : A 99 LYS NZ :NH3+ -163:sc= -0.0386 (180deg=-0.42) USER MOD Single : A 100 HIS : no HE2:sc= -0.549 K(o=-0.55,f=-9.5!) USER MOD Single : A 103 HIS : no HD1:sc= 0.96 K(o=0.96,f=-4.7!) USER MOD Single : A 108 MET CE :methyl -163:sc= -0.1 (180deg=-0.569) USER MOD Single : A 111 MET CE :methyl -166:sc= -0.039 (180deg=-0.304) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -5.098 -8.160 -11.593 1.00 0.75 N ATOM 2 CA VAL A 1 -6.264 -7.938 -10.704 1.00 0.65 C ATOM 3 C VAL A 1 -6.424 -9.103 -9.738 1.00 0.73 C ATOM 4 O VAL A 1 -6.206 -10.254 -10.109 1.00 0.89 O ATOM 5 CB VAL A 1 -7.572 -7.774 -11.516 1.00 0.76 C ATOM 6 CG1 VAL A 1 -7.815 -9.011 -12.345 1.00 1.17 C ATOM 7 CG2 VAL A 1 -8.767 -7.515 -10.607 1.00 1.17 C ATOM 0 H1 VAL A 1 -5.333 -7.850 -12.558 1.00 0.75 H new ATOM 0 H2 VAL A 1 -4.285 -7.614 -11.242 1.00 0.75 H new ATOM 0 H3 VAL A 1 -4.857 -9.172 -11.604 1.00 0.75 H new ATOM 0 HA VAL A 1 -6.078 -7.019 -10.148 1.00 0.65 H new ATOM 0 HB VAL A 1 -7.457 -6.909 -12.170 1.00 0.76 H new ATOM 0 HG11 VAL A 1 -8.736 -8.892 -12.915 1.00 1.17 H new ATOM 0 HG12 VAL A 1 -6.981 -9.159 -13.031 1.00 1.17 H new ATOM 0 HG13 VAL A 1 -7.904 -9.877 -11.689 1.00 1.17 H new ATOM 0 HG21 VAL A 1 -9.667 -7.405 -11.212 1.00 1.17 H new ATOM 0 HG22 VAL A 1 -8.891 -8.353 -9.921 1.00 1.17 H new ATOM 0 HG23 VAL A 1 -8.599 -6.601 -10.037 1.00 1.17 H new ATOM 17 N SER A 2 -6.723 -8.767 -8.484 1.00 0.77 N ATOM 18 CA SER A 2 -7.177 -9.725 -7.468 1.00 1.05 C ATOM 19 C SER A 2 -6.320 -10.993 -7.364 1.00 0.74 C ATOM 20 O SER A 2 -6.822 -12.046 -6.977 1.00 0.74 O ATOM 21 CB SER A 2 -8.649 -10.097 -7.706 1.00 1.59 C ATOM 22 OG SER A 2 -8.882 -10.500 -9.045 1.00 2.17 O ATOM 0 H SER A 2 -6.657 -7.810 -8.137 1.00 0.77 H new ATOM 0 HA SER A 2 -7.067 -9.214 -6.512 1.00 1.05 H new ATOM 0 HB2 SER A 2 -8.934 -10.903 -7.029 1.00 1.59 H new ATOM 0 HB3 SER A 2 -9.283 -9.242 -7.468 1.00 1.59 H new ATOM 0 HG SER A 2 -9.828 -10.730 -9.157 1.00 2.17 H new ATOM 28 N LYS A 3 -5.028 -10.893 -7.667 1.00 1.00 N ATOM 29 CA LYS A 3 -4.140 -12.046 -7.553 1.00 1.20 C ATOM 30 C LYS A 3 -4.088 -12.547 -6.114 1.00 1.01 C ATOM 31 O LYS A 3 -4.110 -13.749 -5.865 1.00 1.21 O ATOM 32 CB LYS A 3 -2.734 -11.713 -8.055 1.00 1.77 C ATOM 33 CG LYS A 3 -2.585 -11.821 -9.563 1.00 2.09 C ATOM 34 CD LYS A 3 -2.947 -13.218 -10.047 1.00 2.48 C ATOM 35 CE LYS A 3 -2.613 -13.419 -11.516 1.00 2.97 C ATOM 36 NZ LYS A 3 -1.146 -13.378 -11.768 1.00 3.76 N ATOM 0 H LYS A 3 -4.577 -10.037 -7.989 1.00 1.00 H new ATOM 0 HA LYS A 3 -4.543 -12.840 -8.182 1.00 1.20 H new ATOM 0 HB2 LYS A 3 -2.477 -10.700 -7.745 1.00 1.77 H new ATOM 0 HB3 LYS A 3 -2.019 -12.384 -7.579 1.00 1.77 H new ATOM 0 HG2 LYS A 3 -3.226 -11.086 -10.049 1.00 2.09 H new ATOM 0 HG3 LYS A 3 -1.559 -11.587 -9.849 1.00 2.09 H new ATOM 0 HD2 LYS A 3 -2.413 -13.958 -9.450 1.00 2.48 H new ATOM 0 HD3 LYS A 3 -4.012 -13.391 -9.891 1.00 2.48 H new ATOM 0 HE2 LYS A 3 -3.011 -14.377 -11.850 1.00 2.97 H new ATOM 0 HE3 LYS A 3 -3.104 -12.646 -12.108 1.00 2.97 H new ATOM 0 HZ1 LYS A 3 -0.950 -13.717 -12.731 1.00 3.76 H new ATOM 0 HZ2 LYS A 3 -0.804 -12.401 -11.669 1.00 3.76 H new ATOM 0 HZ3 LYS A 3 -0.658 -13.987 -11.080 1.00 3.76 H new ATOM 50 N TYR A 4 -4.029 -11.617 -5.168 1.00 0.82 N ATOM 51 CA TYR A 4 -4.069 -11.969 -3.756 1.00 0.74 C ATOM 52 C TYR A 4 -5.018 -11.054 -2.995 1.00 0.71 C ATOM 53 O TYR A 4 -4.957 -10.960 -1.774 1.00 0.85 O ATOM 54 CB TYR A 4 -2.671 -11.907 -3.133 1.00 0.79 C ATOM 55 CG TYR A 4 -1.809 -13.107 -3.450 1.00 0.97 C ATOM 56 CD1 TYR A 4 -1.067 -13.165 -4.618 1.00 1.18 C ATOM 57 CD2 TYR A 4 -1.744 -14.184 -2.575 1.00 1.63 C ATOM 58 CE1 TYR A 4 -0.281 -14.261 -4.909 1.00 1.59 C ATOM 59 CE2 TYR A 4 -0.961 -15.284 -2.858 1.00 2.20 C ATOM 60 CZ TYR A 4 -0.232 -15.318 -4.025 1.00 2.07 C ATOM 61 OH TYR A 4 0.549 -16.412 -4.309 1.00 2.69 O ATOM 0 H TYR A 4 -3.954 -10.617 -5.353 1.00 0.82 H new ATOM 0 HA TYR A 4 -4.436 -12.993 -3.683 1.00 0.74 H new ATOM 0 HB2 TYR A 4 -2.167 -11.006 -3.483 1.00 0.79 H new ATOM 0 HB3 TYR A 4 -2.769 -11.817 -2.051 1.00 0.79 H new ATOM 0 HD1 TYR A 4 -1.104 -12.339 -5.312 1.00 1.18 H new ATOM 0 HD2 TYR A 4 -2.315 -14.160 -1.659 1.00 1.63 H new ATOM 0 HE1 TYR A 4 0.292 -14.291 -5.824 1.00 1.59 H new ATOM 0 HE2 TYR A 4 -0.920 -16.114 -2.168 1.00 2.20 H new ATOM 0 HH TYR A 4 0.472 -17.066 -3.583 1.00 2.69 H new ATOM 71 N ALA A 5 -5.921 -10.403 -3.721 1.00 0.72 N ATOM 72 CA ALA A 5 -6.839 -9.446 -3.111 1.00 0.78 C ATOM 73 C ALA A 5 -7.860 -10.157 -2.232 1.00 0.84 C ATOM 74 O ALA A 5 -8.293 -9.627 -1.210 1.00 1.03 O ATOM 75 CB ALA A 5 -7.523 -8.612 -4.171 1.00 1.02 C ATOM 0 H ALA A 5 -6.037 -10.519 -4.728 1.00 0.72 H new ATOM 0 HA ALA A 5 -6.260 -8.776 -2.475 1.00 0.78 H new ATOM 0 HB1 ALA A 5 -8.203 -7.905 -3.695 1.00 1.02 H new ATOM 0 HB2 ALA A 5 -6.774 -8.065 -4.744 1.00 1.02 H new ATOM 0 HB3 ALA A 5 -8.086 -9.263 -4.839 1.00 1.02 H new ATOM 81 N ASN A 6 -8.231 -11.363 -2.629 1.00 0.88 N ATOM 82 CA ASN A 6 -9.149 -12.174 -1.850 1.00 1.15 C ATOM 83 C ASN A 6 -8.382 -13.090 -0.910 1.00 1.35 C ATOM 84 O ASN A 6 -8.916 -13.570 0.088 1.00 1.76 O ATOM 85 CB ASN A 6 -10.018 -13.017 -2.781 1.00 1.22 C ATOM 86 CG ASN A 6 -11.084 -12.215 -3.500 1.00 1.60 C ATOM 87 OD1 ASN A 6 -10.909 -11.033 -3.788 1.00 2.19 O ATOM 88 ND2 ASN A 6 -12.198 -12.861 -3.804 1.00 2.25 N ATOM 0 H ASN A 6 -7.908 -11.803 -3.491 1.00 0.88 H new ATOM 0 HA ASN A 6 -9.782 -11.510 -1.262 1.00 1.15 H new ATOM 0 HB2 ASN A 6 -9.381 -13.504 -3.519 1.00 1.22 H new ATOM 0 HB3 ASN A 6 -10.497 -13.807 -2.203 1.00 1.22 H new ATOM 0 HD21 ASN A 6 -12.950 -12.378 -4.295 1.00 2.25 H new ATOM 0 HD22 ASN A 6 -12.305 -13.842 -3.547 1.00 2.25 H new ATOM 95 N ASN A 7 -7.115 -13.304 -1.222 1.00 1.33 N ATOM 96 CA ASN A 7 -6.307 -14.288 -0.511 1.00 1.82 C ATOM 97 C ASN A 7 -5.436 -13.627 0.549 1.00 1.74 C ATOM 98 O ASN A 7 -4.457 -14.213 1.011 1.00 2.40 O ATOM 99 CB ASN A 7 -5.418 -15.066 -1.492 1.00 2.31 C ATOM 100 CG ASN A 7 -6.202 -15.929 -2.467 1.00 2.79 C ATOM 101 OD1 ASN A 7 -7.340 -15.624 -2.822 1.00 3.33 O ATOM 102 ND2 ASN A 7 -5.587 -17.012 -2.916 1.00 3.26 N ATOM 0 H ASN A 7 -6.620 -12.810 -1.964 1.00 1.33 H new ATOM 0 HA ASN A 7 -6.991 -14.978 -0.018 1.00 1.82 H new ATOM 0 HB2 ASN A 7 -4.807 -14.360 -2.054 1.00 2.31 H new ATOM 0 HB3 ASN A 7 -4.735 -15.700 -0.927 1.00 2.31 H new ATOM 0 HD21 ASN A 7 -6.057 -17.627 -3.580 1.00 3.26 H new ATOM 0 HD22 ASN A 7 -4.643 -17.231 -2.598 1.00 3.26 H new ATOM 109 N LEU A 8 -5.783 -12.408 0.938 1.00 1.18 N ATOM 110 CA LEU A 8 -5.003 -11.690 1.932 1.00 1.17 C ATOM 111 C LEU A 8 -5.685 -11.679 3.290 1.00 0.94 C ATOM 112 O LEU A 8 -6.871 -11.994 3.411 1.00 1.12 O ATOM 113 CB LEU A 8 -4.716 -10.256 1.477 1.00 1.36 C ATOM 114 CG LEU A 8 -5.925 -9.413 1.055 1.00 1.46 C ATOM 115 CD1 LEU A 8 -6.789 -9.022 2.247 1.00 1.38 C ATOM 116 CD2 LEU A 8 -5.452 -8.168 0.334 1.00 2.10 C ATOM 0 H LEU A 8 -6.593 -11.900 0.583 1.00 1.18 H new ATOM 0 HA LEU A 8 -4.058 -12.222 2.036 1.00 1.17 H new ATOM 0 HB2 LEU A 8 -4.206 -9.737 2.289 1.00 1.36 H new ATOM 0 HB3 LEU A 8 -4.021 -10.298 0.639 1.00 1.36 H new ATOM 0 HG LEU A 8 -6.537 -10.020 0.388 1.00 1.46 H new ATOM 0 HD11 LEU A 8 -7.634 -8.426 1.904 1.00 1.38 H new ATOM 0 HD12 LEU A 8 -7.156 -9.922 2.741 1.00 1.38 H new ATOM 0 HD13 LEU A 8 -6.195 -8.438 2.951 1.00 1.38 H new ATOM 0 HD21 LEU A 8 -6.314 -7.571 0.035 1.00 2.10 H new ATOM 0 HD22 LEU A 8 -4.817 -7.582 0.998 1.00 2.10 H new ATOM 0 HD23 LEU A 8 -4.884 -8.454 -0.551 1.00 2.10 H new ATOM 128 N THR A 9 -4.913 -11.335 4.302 1.00 0.92 N ATOM 129 CA THR A 9 -5.430 -11.112 5.637 1.00 0.82 C ATOM 130 C THR A 9 -5.038 -9.714 6.102 1.00 0.67 C ATOM 131 O THR A 9 -3.863 -9.345 6.020 1.00 0.76 O ATOM 132 CB THR A 9 -4.890 -12.152 6.636 1.00 1.14 C ATOM 133 OG1 THR A 9 -5.035 -13.472 6.094 1.00 1.34 O ATOM 134 CG2 THR A 9 -5.639 -12.064 7.957 1.00 1.25 C ATOM 0 H THR A 9 -3.905 -11.202 4.221 1.00 0.92 H new ATOM 0 HA THR A 9 -6.515 -11.211 5.601 1.00 0.82 H new ATOM 0 HB THR A 9 -3.835 -11.943 6.813 1.00 1.14 H new ATOM 0 HG1 THR A 9 -4.688 -14.128 6.734 1.00 1.34 H new ATOM 0 HG21 THR A 9 -5.243 -12.807 8.650 1.00 1.25 H new ATOM 0 HG22 THR A 9 -5.512 -11.068 8.381 1.00 1.25 H new ATOM 0 HG23 THR A 9 -6.699 -12.254 7.788 1.00 1.25 H new ATOM 142 N GLN A 10 -6.000 -8.928 6.560 1.00 0.63 N ATOM 143 CA GLN A 10 -5.690 -7.617 7.104 1.00 0.63 C ATOM 144 C GLN A 10 -5.420 -7.734 8.596 1.00 0.66 C ATOM 145 O GLN A 10 -6.292 -8.112 9.377 1.00 0.85 O ATOM 146 CB GLN A 10 -6.809 -6.611 6.823 1.00 0.78 C ATOM 147 CG GLN A 10 -7.024 -6.354 5.341 1.00 0.90 C ATOM 148 CD GLN A 10 -7.797 -5.080 5.065 1.00 1.21 C ATOM 149 OE1 GLN A 10 -9.023 -5.083 4.974 1.00 1.49 O ATOM 150 NE2 GLN A 10 -7.082 -3.977 4.926 1.00 1.91 N ATOM 0 H GLN A 10 -6.990 -9.172 6.566 1.00 0.63 H new ATOM 0 HA GLN A 10 -4.794 -7.241 6.610 1.00 0.63 H new ATOM 0 HB2 GLN A 10 -7.737 -6.979 7.260 1.00 0.78 H new ATOM 0 HB3 GLN A 10 -6.575 -5.669 7.318 1.00 0.78 H new ATOM 0 HG2 GLN A 10 -6.056 -6.299 4.844 1.00 0.90 H new ATOM 0 HG3 GLN A 10 -7.559 -7.198 4.906 1.00 0.90 H new ATOM 0 HE21 GLN A 10 -6.066 -4.014 5.008 1.00 1.91 H new ATOM 0 HE22 GLN A 10 -7.546 -3.089 4.736 1.00 1.91 H new ATOM 159 N LEU A 11 -4.196 -7.414 8.968 1.00 0.56 N ATOM 160 CA LEU A 11 -3.713 -7.581 10.325 1.00 0.56 C ATOM 161 C LEU A 11 -3.812 -6.273 11.096 1.00 0.57 C ATOM 162 O LEU A 11 -3.130 -5.298 10.779 1.00 0.73 O ATOM 163 CB LEU A 11 -2.260 -8.077 10.285 1.00 0.62 C ATOM 164 CG LEU A 11 -1.477 -7.979 11.595 1.00 0.53 C ATOM 165 CD1 LEU A 11 -2.151 -8.790 12.691 1.00 0.91 C ATOM 166 CD2 LEU A 11 -0.047 -8.449 11.388 1.00 0.88 C ATOM 0 H LEU A 11 -3.501 -7.026 8.330 1.00 0.56 H new ATOM 0 HA LEU A 11 -4.332 -8.317 10.839 1.00 0.56 H new ATOM 0 HB2 LEU A 11 -2.262 -9.119 9.964 1.00 0.62 H new ATOM 0 HB3 LEU A 11 -1.725 -7.510 9.523 1.00 0.62 H new ATOM 0 HG LEU A 11 -1.461 -6.935 11.908 1.00 0.53 H new ATOM 0 HD11 LEU A 11 -1.576 -8.705 13.613 1.00 0.91 H new ATOM 0 HD12 LEU A 11 -3.159 -8.411 12.856 1.00 0.91 H new ATOM 0 HD13 LEU A 11 -2.202 -9.837 12.390 1.00 0.91 H new ATOM 0 HD21 LEU A 11 0.500 -8.374 12.328 1.00 0.88 H new ATOM 0 HD22 LEU A 11 -0.050 -9.486 11.051 1.00 0.88 H new ATOM 0 HD23 LEU A 11 0.436 -7.825 10.636 1.00 0.88 H new ATOM 178 N ASP A 12 -4.670 -6.251 12.101 1.00 0.63 N ATOM 179 CA ASP A 12 -4.805 -5.079 12.949 1.00 0.83 C ATOM 180 C ASP A 12 -3.639 -4.991 13.917 1.00 0.94 C ATOM 181 O ASP A 12 -3.657 -5.592 14.991 1.00 1.05 O ATOM 182 CB ASP A 12 -6.123 -5.119 13.722 1.00 1.10 C ATOM 183 CG ASP A 12 -7.280 -4.546 12.934 1.00 1.44 C ATOM 184 OD1 ASP A 12 -7.709 -5.191 11.959 1.00 1.94 O ATOM 185 OD2 ASP A 12 -7.754 -3.444 13.270 1.00 2.02 O ATOM 0 H ASP A 12 -5.282 -7.028 12.349 1.00 0.63 H new ATOM 0 HA ASP A 12 -4.804 -4.195 12.311 1.00 0.83 H new ATOM 0 HB2 ASP A 12 -6.349 -6.150 13.993 1.00 1.10 H new ATOM 0 HB3 ASP A 12 -6.011 -4.562 14.652 1.00 1.10 H new ATOM 190 N ASN A 13 -2.635 -4.228 13.535 1.00 1.02 N ATOM 191 CA ASN A 13 -1.457 -4.034 14.365 1.00 1.28 C ATOM 192 C ASN A 13 -1.402 -2.582 14.823 1.00 1.44 C ATOM 193 O ASN A 13 -0.420 -1.877 14.597 1.00 1.62 O ATOM 194 CB ASN A 13 -0.194 -4.401 13.575 1.00 1.46 C ATOM 195 CG ASN A 13 1.055 -4.420 14.433 1.00 1.77 C ATOM 196 OD1 ASN A 13 1.010 -4.770 15.613 1.00 1.90 O ATOM 197 ND2 ASN A 13 2.179 -4.036 13.852 1.00 2.47 N ATOM 0 H ASN A 13 -2.609 -3.727 12.647 1.00 1.02 H new ATOM 0 HA ASN A 13 -1.512 -4.681 15.240 1.00 1.28 H new ATOM 0 HB2 ASN A 13 -0.330 -5.381 13.118 1.00 1.46 H new ATOM 0 HB3 ASN A 13 -0.060 -3.687 12.763 1.00 1.46 H new ATOM 0 HD21 ASN A 13 3.049 -4.023 14.384 1.00 2.47 H new ATOM 0 HD22 ASN A 13 2.176 -3.753 12.872 1.00 2.47 H new ATOM 204 N GLY A 14 -2.484 -2.139 15.456 1.00 1.54 N ATOM 205 CA GLY A 14 -2.618 -0.737 15.802 1.00 1.82 C ATOM 206 C GLY A 14 -2.764 0.116 14.562 1.00 1.62 C ATOM 207 O GLY A 14 -2.349 1.275 14.530 1.00 1.79 O ATOM 0 H GLY A 14 -3.270 -2.726 15.735 1.00 1.54 H new ATOM 0 HA2 GLY A 14 -3.486 -0.599 16.447 1.00 1.82 H new ATOM 0 HA3 GLY A 14 -1.745 -0.414 16.369 1.00 1.82 H new ATOM 211 N VAL A 15 -3.362 -0.468 13.534 1.00 1.30 N ATOM 212 CA VAL A 15 -3.473 0.174 12.238 1.00 1.12 C ATOM 213 C VAL A 15 -4.493 1.311 12.251 1.00 1.26 C ATOM 214 O VAL A 15 -5.681 1.111 12.518 1.00 1.39 O ATOM 215 CB VAL A 15 -3.818 -0.855 11.136 1.00 0.92 C ATOM 216 CG1 VAL A 15 -5.083 -1.627 11.468 1.00 0.98 C ATOM 217 CG2 VAL A 15 -3.927 -0.182 9.779 1.00 0.93 C ATOM 0 H VAL A 15 -3.782 -1.397 13.577 1.00 1.30 H new ATOM 0 HA VAL A 15 -2.499 0.609 12.011 1.00 1.12 H new ATOM 0 HB VAL A 15 -3.001 -1.575 11.091 1.00 0.92 H new ATOM 0 HG11 VAL A 15 -5.294 -2.340 10.671 1.00 0.98 H new ATOM 0 HG12 VAL A 15 -4.946 -2.162 12.408 1.00 0.98 H new ATOM 0 HG13 VAL A 15 -5.918 -0.933 11.564 1.00 0.98 H new ATOM 0 HG21 VAL A 15 -4.170 -0.927 9.022 1.00 0.93 H new ATOM 0 HG22 VAL A 15 -4.712 0.574 9.810 1.00 0.93 H new ATOM 0 HG23 VAL A 15 -2.977 0.291 9.530 1.00 0.93 H new ATOM 227 N ARG A 16 -4.003 2.510 11.989 1.00 1.34 N ATOM 228 CA ARG A 16 -4.849 3.681 11.901 1.00 1.54 C ATOM 229 C ARG A 16 -4.404 4.517 10.708 1.00 1.39 C ATOM 230 O ARG A 16 -3.499 5.346 10.807 1.00 1.49 O ATOM 231 CB ARG A 16 -4.778 4.480 13.207 1.00 1.95 C ATOM 232 CG ARG A 16 -5.974 5.395 13.446 1.00 2.24 C ATOM 233 CD ARG A 16 -5.923 6.643 12.578 1.00 2.54 C ATOM 234 NE ARG A 16 -4.757 7.473 12.882 1.00 3.18 N ATOM 235 CZ ARG A 16 -4.422 8.570 12.205 1.00 3.77 C ATOM 236 NH1 ARG A 16 -5.164 8.977 11.180 1.00 3.91 N ATOM 237 NH2 ARG A 16 -3.343 9.263 12.555 1.00 4.59 N ATOM 0 H ARG A 16 -3.012 2.696 11.832 1.00 1.34 H new ATOM 0 HA ARG A 16 -5.888 3.387 11.755 1.00 1.54 H new ATOM 0 HB2 ARG A 16 -4.695 3.784 14.042 1.00 1.95 H new ATOM 0 HB3 ARG A 16 -3.869 5.082 13.202 1.00 1.95 H new ATOM 0 HG2 ARG A 16 -6.895 4.849 13.241 1.00 2.24 H new ATOM 0 HG3 ARG A 16 -6.003 5.685 14.496 1.00 2.24 H new ATOM 0 HD2 ARG A 16 -5.898 6.354 11.527 1.00 2.54 H new ATOM 0 HD3 ARG A 16 -6.832 7.226 12.727 1.00 2.54 H new ATOM 0 HE ARG A 16 -4.163 7.194 13.662 1.00 3.18 H new ATOM 0 HH11 ARG A 16 -5.993 8.449 10.909 1.00 3.91 H new ATOM 0 HH12 ARG A 16 -4.904 9.818 10.664 1.00 3.91 H new ATOM 0 HH21 ARG A 16 -2.772 8.955 13.342 1.00 4.59 H new ATOM 0 HH22 ARG A 16 -3.086 10.103 12.037 1.00 4.59 H new ATOM 251 N ILE A 17 -5.031 4.267 9.575 1.00 1.28 N ATOM 252 CA ILE A 17 -4.659 4.922 8.334 1.00 1.19 C ATOM 253 C ILE A 17 -5.637 6.047 8.023 1.00 1.73 C ATOM 254 O ILE A 17 -6.847 5.887 8.186 1.00 2.16 O ATOM 255 CB ILE A 17 -4.639 3.921 7.156 1.00 1.21 C ATOM 256 CG1 ILE A 17 -3.966 2.612 7.566 1.00 1.00 C ATOM 257 CG2 ILE A 17 -3.896 4.526 5.980 1.00 1.15 C ATOM 258 CD1 ILE A 17 -2.493 2.760 7.858 1.00 0.64 C ATOM 0 H ILE A 17 -5.806 3.610 9.487 1.00 1.28 H new ATOM 0 HA ILE A 17 -3.656 5.330 8.460 1.00 1.19 H new ATOM 0 HB ILE A 17 -5.669 3.708 6.870 1.00 1.21 H new ATOM 0 HG12 ILE A 17 -4.466 2.217 8.450 1.00 1.00 H new ATOM 0 HG13 ILE A 17 -4.099 1.879 6.770 1.00 1.00 H new ATOM 0 HG21 ILE A 17 -3.885 3.816 5.153 1.00 1.15 H new ATOM 0 HG22 ILE A 17 -4.396 5.442 5.666 1.00 1.15 H new ATOM 0 HG23 ILE A 17 -2.872 4.755 6.275 1.00 1.15 H new ATOM 0 HD11 ILE A 17 -2.080 1.792 8.143 1.00 0.64 H new ATOM 0 HD12 ILE A 17 -1.981 3.126 6.968 1.00 0.64 H new ATOM 0 HD13 ILE A 17 -2.353 3.469 8.674 1.00 0.64 H new ATOM 270 N PRO A 18 -5.128 7.209 7.601 1.00 1.80 N ATOM 271 CA PRO A 18 -5.957 8.344 7.249 1.00 2.40 C ATOM 272 C PRO A 18 -6.395 8.292 5.792 1.00 2.55 C ATOM 273 O PRO A 18 -5.776 7.620 4.971 1.00 2.19 O ATOM 274 CB PRO A 18 -5.024 9.527 7.489 1.00 2.44 C ATOM 275 CG PRO A 18 -3.644 9.003 7.263 1.00 1.82 C ATOM 276 CD PRO A 18 -3.698 7.504 7.418 1.00 1.42 C ATOM 0 HA PRO A 18 -6.882 8.387 7.824 1.00 2.40 H new ATOM 0 HB2 PRO A 18 -5.248 10.347 6.807 1.00 2.44 H new ATOM 0 HB3 PRO A 18 -5.135 9.915 8.502 1.00 2.44 H new ATOM 0 HG2 PRO A 18 -3.289 9.273 6.268 1.00 1.82 H new ATOM 0 HG3 PRO A 18 -2.947 9.438 7.979 1.00 1.82 H new ATOM 0 HD2 PRO A 18 -3.297 6.999 6.540 1.00 1.42 H new ATOM 0 HD3 PRO A 18 -3.110 7.171 8.274 1.00 1.42 H new ATOM 284 N PRO A 19 -7.486 9.000 5.463 1.00 3.21 N ATOM 285 CA PRO A 19 -8.005 9.075 4.095 1.00 3.52 C ATOM 286 C PRO A 19 -7.029 9.749 3.132 1.00 3.11 C ATOM 287 O PRO A 19 -7.199 9.674 1.914 1.00 3.33 O ATOM 288 CB PRO A 19 -9.278 9.920 4.227 1.00 4.30 C ATOM 289 CG PRO A 19 -9.612 9.923 5.678 1.00 4.44 C ATOM 290 CD PRO A 19 -8.313 9.764 6.409 1.00 3.79 C ATOM 0 HA PRO A 19 -8.177 8.081 3.683 1.00 3.52 H new ATOM 0 HB2 PRO A 19 -9.115 10.934 3.861 1.00 4.30 H new ATOM 0 HB3 PRO A 19 -10.092 9.496 3.639 1.00 4.30 H new ATOM 0 HG2 PRO A 19 -10.106 10.852 5.961 1.00 4.44 H new ATOM 0 HG3 PRO A 19 -10.297 9.111 5.921 1.00 4.44 H new ATOM 0 HD2 PRO A 19 -7.865 10.728 6.648 1.00 3.79 H new ATOM 0 HD3 PRO A 19 -8.444 9.231 7.351 1.00 3.79 H new ATOM 298 N SER A 20 -6.016 10.405 3.687 1.00 2.62 N ATOM 299 CA SER A 20 -5.014 11.108 2.899 1.00 2.22 C ATOM 300 C SER A 20 -3.888 11.598 3.804 1.00 1.11 C ATOM 301 O SER A 20 -4.035 11.610 5.029 1.00 1.53 O ATOM 302 CB SER A 20 -5.646 12.275 2.126 1.00 3.11 C ATOM 303 OG SER A 20 -6.615 12.962 2.907 1.00 3.71 O ATOM 0 H SER A 20 -5.868 10.464 4.694 1.00 2.62 H new ATOM 0 HA SER A 20 -4.595 10.416 2.168 1.00 2.22 H new ATOM 0 HB2 SER A 20 -4.866 12.972 1.819 1.00 3.11 H new ATOM 0 HB3 SER A 20 -6.113 11.898 1.216 1.00 3.11 H new ATOM 0 HG SER A 20 -7.468 12.983 2.425 1.00 3.71 H new ATOM 309 N GLY A 21 -2.767 11.986 3.210 1.00 1.33 N ATOM 310 CA GLY A 21 -1.626 12.410 3.996 1.00 1.87 C ATOM 311 C GLY A 21 -0.657 11.269 4.219 1.00 1.69 C ATOM 312 O GLY A 21 -0.188 11.051 5.334 1.00 2.56 O ATOM 0 H GLY A 21 -2.628 12.015 2.200 1.00 1.33 H new ATOM 0 HA2 GLY A 21 -1.116 13.229 3.488 1.00 1.87 H new ATOM 0 HA3 GLY A 21 -1.967 12.794 4.958 1.00 1.87 H new ATOM 316 N TRP A 22 -0.366 10.535 3.156 1.00 0.80 N ATOM 317 CA TRP A 22 0.478 9.351 3.255 1.00 0.60 C ATOM 318 C TRP A 22 1.926 9.745 3.494 1.00 0.47 C ATOM 319 O TRP A 22 2.365 10.825 3.084 1.00 0.57 O ATOM 320 CB TRP A 22 0.395 8.507 1.981 1.00 0.60 C ATOM 321 CG TRP A 22 -0.957 8.518 1.337 1.00 0.94 C ATOM 322 CD1 TRP A 22 -1.316 9.201 0.216 1.00 1.96 C ATOM 323 CD2 TRP A 22 -2.130 7.822 1.775 1.00 1.26 C ATOM 324 NE1 TRP A 22 -2.639 8.980 -0.072 1.00 2.25 N ATOM 325 CE2 TRP A 22 -3.160 8.133 0.870 1.00 1.73 C ATOM 326 CE3 TRP A 22 -2.407 6.964 2.842 1.00 2.10 C ATOM 327 CZ2 TRP A 22 -4.447 7.619 1.001 1.00 2.22 C ATOM 328 CZ3 TRP A 22 -3.685 6.455 2.969 1.00 2.82 C ATOM 329 CH2 TRP A 22 -4.690 6.783 2.054 1.00 2.65 C ATOM 0 H TRP A 22 -0.701 10.737 2.214 1.00 0.80 H new ATOM 0 HA TRP A 22 0.116 8.761 4.097 1.00 0.60 H new ATOM 0 HB2 TRP A 22 1.131 8.873 1.265 1.00 0.60 H new ATOM 0 HB3 TRP A 22 0.666 7.478 2.219 1.00 0.60 H new ATOM 0 HD1 TRP A 22 -0.654 9.827 -0.364 1.00 1.96 H new ATOM 0 HE1 TRP A 22 -3.151 9.381 -0.858 1.00 2.25 H new ATOM 0 HE3 TRP A 22 -1.637 6.704 3.554 1.00 2.10 H new ATOM 0 HZ2 TRP A 22 -5.225 7.872 0.296 1.00 2.22 H new ATOM 0 HZ3 TRP A 22 -3.912 5.791 3.790 1.00 2.82 H new ATOM 0 HH2 TRP A 22 -5.678 6.367 2.182 1.00 2.65 H new ATOM 340 N LYS A 23 2.661 8.865 4.155 1.00 0.41 N ATOM 341 CA LYS A 23 4.076 9.073 4.411 1.00 0.39 C ATOM 342 C LYS A 23 4.650 7.842 5.079 1.00 0.37 C ATOM 343 O LYS A 23 4.031 7.269 5.977 1.00 0.39 O ATOM 344 CB LYS A 23 4.291 10.311 5.279 1.00 0.51 C ATOM 345 CG LYS A 23 5.741 10.733 5.398 1.00 0.59 C ATOM 346 CD LYS A 23 5.869 12.239 5.560 1.00 0.70 C ATOM 347 CE LYS A 23 5.274 12.971 4.367 1.00 0.67 C ATOM 348 NZ LYS A 23 3.826 13.266 4.542 1.00 1.23 N ATOM 0 H LYS A 23 2.294 7.989 4.528 1.00 0.41 H new ATOM 0 HA LYS A 23 4.591 9.239 3.465 1.00 0.39 H new ATOM 0 HB2 LYS A 23 3.715 11.138 4.864 1.00 0.51 H new ATOM 0 HB3 LYS A 23 3.896 10.116 6.276 1.00 0.51 H new ATOM 0 HG2 LYS A 23 6.198 10.234 6.252 1.00 0.59 H new ATOM 0 HG3 LYS A 23 6.289 10.413 4.511 1.00 0.59 H new ATOM 0 HD2 LYS A 23 5.363 12.554 6.473 1.00 0.70 H new ATOM 0 HD3 LYS A 23 6.920 12.508 5.669 1.00 0.70 H new ATOM 0 HE2 LYS A 23 5.815 13.904 4.211 1.00 0.67 H new ATOM 0 HE3 LYS A 23 5.413 12.368 3.469 1.00 0.67 H new ATOM 0 HZ1 LYS A 23 3.270 12.675 3.892 1.00 1.23 H new ATOM 0 HZ2 LYS A 23 3.546 13.061 5.522 1.00 1.23 H new ATOM 0 HZ3 LYS A 23 3.649 14.270 4.334 1.00 1.23 H new ATOM 362 N CYS A 24 5.818 7.421 4.622 1.00 0.37 N ATOM 363 CA CYS A 24 6.406 6.195 5.106 1.00 0.40 C ATOM 364 C CYS A 24 6.911 6.347 6.535 1.00 0.48 C ATOM 365 O CYS A 24 7.144 7.459 7.006 1.00 0.57 O ATOM 366 CB CYS A 24 7.533 5.727 4.197 1.00 0.46 C ATOM 367 SG CYS A 24 8.912 6.871 4.022 1.00 0.80 S ATOM 0 H CYS A 24 6.371 7.912 3.920 1.00 0.37 H new ATOM 0 HA CYS A 24 5.622 5.438 5.100 1.00 0.40 H new ATOM 0 HB2 CYS A 24 7.915 4.780 4.579 1.00 0.46 H new ATOM 0 HB3 CYS A 24 7.120 5.529 3.208 1.00 0.46 H new ATOM 372 N ALA A 25 7.060 5.220 7.213 1.00 0.50 N ATOM 373 CA ALA A 25 7.479 5.191 8.607 1.00 0.62 C ATOM 374 C ALA A 25 8.760 5.997 8.862 1.00 0.70 C ATOM 375 O ALA A 25 8.752 6.971 9.620 1.00 0.90 O ATOM 376 CB ALA A 25 7.656 3.748 9.038 1.00 0.72 C ATOM 0 H ALA A 25 6.894 4.297 6.812 1.00 0.50 H new ATOM 0 HA ALA A 25 6.700 5.668 9.202 1.00 0.62 H new ATOM 0 HB1 ALA A 25 7.970 3.716 10.081 1.00 0.72 H new ATOM 0 HB2 ALA A 25 6.711 3.217 8.927 1.00 0.72 H new ATOM 0 HB3 ALA A 25 8.415 3.273 8.416 1.00 0.72 H new ATOM 382 N ARG A 26 9.859 5.587 8.228 1.00 0.72 N ATOM 383 CA ARG A 26 11.157 6.232 8.442 1.00 0.88 C ATOM 384 C ARG A 26 11.255 7.596 7.749 1.00 0.84 C ATOM 385 O ARG A 26 11.072 8.631 8.386 1.00 0.94 O ATOM 386 CB ARG A 26 12.304 5.338 7.977 1.00 1.00 C ATOM 387 CG ARG A 26 12.808 4.356 9.025 1.00 1.18 C ATOM 388 CD ARG A 26 11.743 3.376 9.474 1.00 1.06 C ATOM 389 NE ARG A 26 10.964 3.875 10.600 1.00 1.71 N ATOM 390 CZ ARG A 26 10.366 3.089 11.493 1.00 1.86 C ATOM 391 NH1 ARG A 26 10.461 1.768 11.399 1.00 1.80 N ATOM 392 NH2 ARG A 26 9.671 3.629 12.477 1.00 2.59 N ATOM 0 H ARG A 26 9.878 4.813 7.564 1.00 0.72 H new ATOM 0 HA ARG A 26 11.241 6.394 9.517 1.00 0.88 H new ATOM 0 HB2 ARG A 26 11.978 4.778 7.101 1.00 1.00 H new ATOM 0 HB3 ARG A 26 13.134 5.970 7.661 1.00 1.00 H new ATOM 0 HG2 ARG A 26 13.656 3.803 8.620 1.00 1.18 H new ATOM 0 HG3 ARG A 26 13.173 4.910 9.890 1.00 1.18 H new ATOM 0 HD2 ARG A 26 11.074 3.164 8.640 1.00 1.06 H new ATOM 0 HD3 ARG A 26 12.215 2.434 9.752 1.00 1.06 H new ATOM 0 HE ARG A 26 10.872 4.885 10.710 1.00 1.71 H new ATOM 0 HH11 ARG A 26 10.995 1.348 10.638 1.00 1.80 H new ATOM 0 HH12 ARG A 26 10.000 1.173 12.087 1.00 1.80 H new ATOM 0 HH21 ARG A 26 9.594 4.643 12.550 1.00 2.59 H new ATOM 0 HH22 ARG A 26 9.211 3.032 13.164 1.00 2.59 H new ATOM 406 N CYS A 27 11.560 7.590 6.444 1.00 0.75 N ATOM 407 CA CYS A 27 11.744 8.839 5.690 1.00 0.75 C ATOM 408 C CYS A 27 10.460 9.668 5.630 1.00 0.75 C ATOM 409 O CYS A 27 9.395 9.229 6.059 1.00 0.85 O ATOM 410 CB CYS A 27 12.212 8.555 4.258 1.00 0.75 C ATOM 411 SG CYS A 27 12.668 6.840 3.934 1.00 0.76 S ATOM 0 H CYS A 27 11.684 6.742 5.892 1.00 0.75 H new ATOM 0 HA CYS A 27 12.506 9.408 6.222 1.00 0.75 H new ATOM 0 HB2 CYS A 27 11.418 8.841 3.568 1.00 0.75 H new ATOM 0 HB3 CYS A 27 13.069 9.191 4.039 1.00 0.75 H new ATOM 416 N ASP A 28 10.576 10.864 5.069 1.00 0.72 N ATOM 417 CA ASP A 28 9.439 11.764 4.933 1.00 0.74 C ATOM 418 C ASP A 28 9.014 11.865 3.477 1.00 0.68 C ATOM 419 O ASP A 28 8.686 12.948 2.987 1.00 0.89 O ATOM 420 CB ASP A 28 9.774 13.160 5.469 1.00 0.86 C ATOM 421 CG ASP A 28 9.891 13.205 6.977 1.00 1.34 C ATOM 422 OD1 ASP A 28 11.009 13.005 7.500 1.00 1.66 O ATOM 423 OD2 ASP A 28 8.870 13.460 7.651 1.00 2.00 O ATOM 0 H ASP A 28 11.451 11.235 4.699 1.00 0.72 H new ATOM 0 HA ASP A 28 8.618 11.354 5.520 1.00 0.74 H new ATOM 0 HB2 ASP A 28 10.712 13.497 5.028 1.00 0.86 H new ATOM 0 HB3 ASP A 28 9.002 13.860 5.149 1.00 0.86 H new ATOM 428 N LEU A 29 9.043 10.741 2.772 1.00 0.53 N ATOM 429 CA LEU A 29 8.605 10.716 1.390 1.00 0.47 C ATOM 430 C LEU A 29 7.096 10.837 1.297 1.00 0.48 C ATOM 431 O LEU A 29 6.362 10.278 2.112 1.00 0.51 O ATOM 432 CB LEU A 29 9.078 9.449 0.687 1.00 0.46 C ATOM 433 CG LEU A 29 10.524 9.498 0.208 1.00 0.48 C ATOM 434 CD1 LEU A 29 10.896 8.199 -0.476 1.00 0.52 C ATOM 435 CD2 LEU A 29 10.720 10.676 -0.733 1.00 0.56 C ATOM 0 H LEU A 29 9.363 9.843 3.135 1.00 0.53 H new ATOM 0 HA LEU A 29 9.052 11.574 0.887 1.00 0.47 H new ATOM 0 HB2 LEU A 29 8.962 8.605 1.367 1.00 0.46 H new ATOM 0 HB3 LEU A 29 8.430 9.260 -0.169 1.00 0.46 H new ATOM 0 HG LEU A 29 11.178 9.629 1.070 1.00 0.48 H new ATOM 0 HD11 LEU A 29 11.931 8.249 -0.813 1.00 0.52 H new ATOM 0 HD12 LEU A 29 10.782 7.373 0.226 1.00 0.52 H new ATOM 0 HD13 LEU A 29 10.243 8.039 -1.334 1.00 0.52 H new ATOM 0 HD21 LEU A 29 11.756 10.704 -1.071 1.00 0.56 H new ATOM 0 HD22 LEU A 29 10.061 10.567 -1.594 1.00 0.56 H new ATOM 0 HD23 LEU A 29 10.484 11.603 -0.210 1.00 0.56 H new ATOM 447 N ARG A 30 6.651 11.576 0.298 1.00 0.51 N ATOM 448 CA ARG A 30 5.235 11.815 0.085 1.00 0.59 C ATOM 449 C ARG A 30 4.773 11.057 -1.151 1.00 0.60 C ATOM 450 O ARG A 30 3.608 11.119 -1.545 1.00 0.71 O ATOM 451 CB ARG A 30 4.999 13.308 -0.106 1.00 0.72 C ATOM 452 CG ARG A 30 5.676 14.154 0.949 1.00 0.94 C ATOM 453 CD ARG A 30 5.579 15.620 0.603 1.00 1.06 C ATOM 454 NE ARG A 30 6.187 16.470 1.620 1.00 2.05 N ATOM 455 CZ ARG A 30 6.526 17.739 1.414 1.00 2.56 C ATOM 456 NH1 ARG A 30 6.368 18.287 0.217 1.00 2.36 N ATOM 457 NH2 ARG A 30 7.035 18.455 2.405 1.00 3.67 N ATOM 0 H ARG A 30 7.258 12.026 -0.387 1.00 0.51 H new ATOM 0 HA ARG A 30 4.670 11.468 0.950 1.00 0.59 H new ATOM 0 HB2 ARG A 30 5.363 13.605 -1.090 1.00 0.72 H new ATOM 0 HB3 ARG A 30 3.927 13.506 -0.089 1.00 0.72 H new ATOM 0 HG2 ARG A 30 5.213 13.973 1.919 1.00 0.94 H new ATOM 0 HG3 ARG A 30 6.723 13.865 1.037 1.00 0.94 H new ATOM 0 HD2 ARG A 30 6.067 15.798 -0.355 1.00 1.06 H new ATOM 0 HD3 ARG A 30 4.531 15.894 0.483 1.00 1.06 H new ATOM 0 HE ARG A 30 6.362 16.068 2.541 1.00 2.05 H new ATOM 0 HH11 ARG A 30 5.985 17.735 -0.550 1.00 2.36 H new ATOM 0 HH12 ARG A 30 6.629 19.261 0.063 1.00 2.36 H new ATOM 0 HH21 ARG A 30 7.166 18.033 3.324 1.00 3.67 H new ATOM 0 HH22 ARG A 30 7.296 19.429 2.249 1.00 3.67 H new ATOM 471 N GLU A 31 5.711 10.330 -1.739 1.00 0.55 N ATOM 472 CA GLU A 31 5.506 9.655 -3.004 1.00 0.65 C ATOM 473 C GLU A 31 6.364 8.393 -3.034 1.00 0.55 C ATOM 474 O GLU A 31 7.317 8.279 -2.260 1.00 0.49 O ATOM 475 CB GLU A 31 5.878 10.611 -4.145 1.00 0.81 C ATOM 476 CG GLU A 31 5.682 10.046 -5.540 1.00 1.49 C ATOM 477 CD GLU A 31 4.283 9.528 -5.772 1.00 2.12 C ATOM 478 OE1 GLU A 31 3.361 10.364 -5.874 1.00 2.82 O ATOM 479 OE2 GLU A 31 4.098 8.295 -5.840 1.00 2.41 O ATOM 0 H GLU A 31 6.642 10.193 -1.346 1.00 0.55 H new ATOM 0 HA GLU A 31 4.462 9.366 -3.125 1.00 0.65 H new ATOM 0 HB2 GLU A 31 5.281 11.518 -4.049 1.00 0.81 H new ATOM 0 HB3 GLU A 31 6.922 10.902 -4.030 1.00 0.81 H new ATOM 0 HG2 GLU A 31 5.904 10.820 -6.275 1.00 1.49 H new ATOM 0 HG3 GLU A 31 6.395 9.238 -5.703 1.00 1.49 H new ATOM 486 N ASN A 32 6.021 7.457 -3.919 1.00 0.60 N ATOM 487 CA ASN A 32 6.698 6.157 -3.989 1.00 0.61 C ATOM 488 C ASN A 32 6.501 5.398 -2.685 1.00 0.50 C ATOM 489 O ASN A 32 7.394 4.684 -2.218 1.00 0.54 O ATOM 490 CB ASN A 32 8.200 6.312 -4.285 1.00 0.69 C ATOM 491 CG ASN A 32 8.475 6.928 -5.643 1.00 1.23 C ATOM 492 OD1 ASN A 32 8.574 6.227 -6.649 1.00 1.82 O ATOM 493 ND2 ASN A 32 8.620 8.243 -5.679 1.00 2.01 N ATOM 0 H ASN A 32 5.273 7.574 -4.603 1.00 0.60 H new ATOM 0 HA ASN A 32 6.254 5.595 -4.810 1.00 0.61 H new ATOM 0 HB2 ASN A 32 8.655 6.931 -3.512 1.00 0.69 H new ATOM 0 HB3 ASN A 32 8.678 5.334 -4.232 1.00 0.69 H new ATOM 0 HD21 ASN A 32 8.821 8.710 -6.563 1.00 2.01 H new ATOM 0 HD22 ASN A 32 8.530 8.790 -4.822 1.00 2.01 H new ATOM 500 N LEU A 33 5.323 5.565 -2.100 1.00 0.41 N ATOM 501 CA LEU A 33 4.996 4.922 -0.841 1.00 0.32 C ATOM 502 C LEU A 33 4.177 3.672 -1.087 1.00 0.30 C ATOM 503 O LEU A 33 3.474 3.569 -2.090 1.00 0.34 O ATOM 504 CB LEU A 33 4.209 5.867 0.065 1.00 0.31 C ATOM 505 CG LEU A 33 4.876 7.205 0.347 1.00 0.34 C ATOM 506 CD1 LEU A 33 3.846 8.200 0.849 1.00 0.39 C ATOM 507 CD2 LEU A 33 5.986 7.039 1.371 1.00 0.32 C ATOM 0 H LEU A 33 4.576 6.145 -2.482 1.00 0.41 H new ATOM 0 HA LEU A 33 5.931 4.656 -0.349 1.00 0.32 H new ATOM 0 HB2 LEU A 33 3.236 6.054 -0.390 1.00 0.31 H new ATOM 0 HB3 LEU A 33 4.025 5.364 1.015 1.00 0.31 H new ATOM 0 HG LEU A 33 5.312 7.581 -0.578 1.00 0.34 H new ATOM 0 HD11 LEU A 33 4.331 9.156 1.049 1.00 0.39 H new ATOM 0 HD12 LEU A 33 3.073 8.336 0.093 1.00 0.39 H new ATOM 0 HD13 LEU A 33 3.394 7.824 1.767 1.00 0.39 H new ATOM 0 HD21 LEU A 33 6.453 8.005 1.561 1.00 0.32 H new ATOM 0 HD22 LEU A 33 5.569 6.648 2.299 1.00 0.32 H new ATOM 0 HD23 LEU A 33 6.733 6.344 0.988 1.00 0.32 H new ATOM 519 N TRP A 34 4.272 2.729 -0.175 1.00 0.28 N ATOM 520 CA TRP A 34 3.510 1.508 -0.265 1.00 0.28 C ATOM 521 C TRP A 34 2.743 1.247 1.015 1.00 0.27 C ATOM 522 O TRP A 34 3.325 1.028 2.074 1.00 0.31 O ATOM 523 CB TRP A 34 4.420 0.330 -0.599 1.00 0.32 C ATOM 524 CG TRP A 34 4.590 0.110 -2.075 1.00 0.57 C ATOM 525 CD1 TRP A 34 3.778 -0.629 -2.886 1.00 1.79 C ATOM 526 CD2 TRP A 34 5.631 0.626 -2.917 1.00 0.53 C ATOM 527 NE1 TRP A 34 4.247 -0.606 -4.176 1.00 1.85 N ATOM 528 CE2 TRP A 34 5.381 0.158 -4.222 1.00 0.73 C ATOM 529 CE3 TRP A 34 6.747 1.438 -2.697 1.00 1.77 C ATOM 530 CZ2 TRP A 34 6.204 0.475 -5.299 1.00 0.67 C ATOM 531 CZ3 TRP A 34 7.564 1.751 -3.769 1.00 2.25 C ATOM 532 CH2 TRP A 34 7.289 1.271 -5.055 1.00 1.47 C ATOM 0 H TRP A 34 4.877 2.789 0.644 1.00 0.28 H new ATOM 0 HA TRP A 34 2.786 1.623 -1.071 1.00 0.28 H new ATOM 0 HB2 TRP A 34 5.398 0.497 -0.149 1.00 0.32 H new ATOM 0 HB3 TRP A 34 4.012 -0.575 -0.149 1.00 0.32 H new ATOM 0 HD1 TRP A 34 2.894 -1.156 -2.560 1.00 1.79 H new ATOM 0 HE1 TRP A 34 3.820 -1.081 -4.971 1.00 1.85 H new ATOM 0 HE3 TRP A 34 6.968 1.814 -1.709 1.00 1.77 H new ATOM 0 HZ2 TRP A 34 5.993 0.106 -6.292 1.00 0.67 H new ATOM 0 HZ3 TRP A 34 8.430 2.377 -3.611 1.00 2.25 H new ATOM 0 HH2 TRP A 34 7.946 1.534 -5.870 1.00 1.47 H new ATOM 543 N LEU A 35 1.432 1.293 0.894 1.00 0.25 N ATOM 544 CA LEU A 35 0.533 1.033 2.000 1.00 0.26 C ATOM 545 C LEU A 35 0.233 -0.462 2.063 1.00 0.27 C ATOM 546 O LEU A 35 -0.510 -0.992 1.237 1.00 0.29 O ATOM 547 CB LEU A 35 -0.752 1.835 1.787 1.00 0.28 C ATOM 548 CG LEU A 35 -1.585 2.169 3.028 1.00 0.32 C ATOM 549 CD1 LEU A 35 -2.785 2.990 2.606 1.00 0.36 C ATOM 550 CD2 LEU A 35 -2.035 0.921 3.779 1.00 0.32 C ATOM 0 H LEU A 35 0.957 1.514 0.019 1.00 0.25 H new ATOM 0 HA LEU A 35 0.989 1.335 2.943 1.00 0.26 H new ATOM 0 HB2 LEU A 35 -0.488 2.772 1.296 1.00 0.28 H new ATOM 0 HB3 LEU A 35 -1.385 1.280 1.095 1.00 0.28 H new ATOM 0 HG LEU A 35 -0.959 2.738 3.715 1.00 0.32 H new ATOM 0 HD11 LEU A 35 -3.386 3.234 3.482 1.00 0.36 H new ATOM 0 HD12 LEU A 35 -2.447 3.911 2.130 1.00 0.36 H new ATOM 0 HD13 LEU A 35 -3.388 2.418 1.901 1.00 0.36 H new ATOM 0 HD21 LEU A 35 -2.622 1.212 4.650 1.00 0.32 H new ATOM 0 HD22 LEU A 35 -2.645 0.301 3.122 1.00 0.32 H new ATOM 0 HD23 LEU A 35 -1.161 0.356 4.103 1.00 0.32 H new ATOM 562 N ASN A 36 0.835 -1.134 3.027 1.00 0.28 N ATOM 563 CA ASN A 36 0.647 -2.570 3.208 1.00 0.30 C ATOM 564 C ASN A 36 -0.814 -2.910 3.498 1.00 0.30 C ATOM 565 O ASN A 36 -1.418 -2.355 4.410 1.00 0.35 O ATOM 566 CB ASN A 36 1.540 -3.059 4.354 1.00 0.37 C ATOM 567 CG ASN A 36 1.268 -4.498 4.758 1.00 0.83 C ATOM 568 OD1 ASN A 36 1.329 -4.839 5.933 1.00 1.62 O ATOM 569 ND2 ASN A 36 0.991 -5.362 3.791 1.00 1.44 N ATOM 0 H ASN A 36 1.466 -0.707 3.705 1.00 0.28 H new ATOM 0 HA ASN A 36 0.926 -3.073 2.282 1.00 0.30 H new ATOM 0 HB2 ASN A 36 2.584 -2.964 4.057 1.00 0.37 H new ATOM 0 HB3 ASN A 36 1.395 -2.413 5.219 1.00 0.37 H new ATOM 0 HD21 ASN A 36 0.821 -6.342 4.016 1.00 1.44 H new ATOM 0 HD22 ASN A 36 0.948 -5.046 2.822 1.00 1.44 H new ATOM 576 N LEU A 37 -1.364 -3.844 2.719 1.00 0.28 N ATOM 577 CA LEU A 37 -2.755 -4.274 2.887 1.00 0.31 C ATOM 578 C LEU A 37 -2.916 -5.175 4.105 1.00 0.33 C ATOM 579 O LEU A 37 -4.034 -5.520 4.483 1.00 0.40 O ATOM 580 CB LEU A 37 -3.247 -5.004 1.636 1.00 0.33 C ATOM 581 CG LEU A 37 -3.542 -4.113 0.426 1.00 0.41 C ATOM 582 CD1 LEU A 37 -4.924 -4.418 -0.105 1.00 0.59 C ATOM 583 CD2 LEU A 37 -3.446 -2.644 0.798 1.00 0.54 C ATOM 0 H LEU A 37 -0.867 -4.318 1.965 1.00 0.28 H new ATOM 0 HA LEU A 37 -3.358 -3.379 3.041 1.00 0.31 H new ATOM 0 HB2 LEU A 37 -2.497 -5.741 1.348 1.00 0.33 H new ATOM 0 HB3 LEU A 37 -4.153 -5.554 1.890 1.00 0.33 H new ATOM 0 HG LEU A 37 -2.800 -4.320 -0.345 1.00 0.41 H new ATOM 0 HD11 LEU A 37 -5.131 -3.783 -0.966 1.00 0.59 H new ATOM 0 HD12 LEU A 37 -4.976 -5.464 -0.406 1.00 0.59 H new ATOM 0 HD13 LEU A 37 -5.663 -4.227 0.673 1.00 0.59 H new ATOM 0 HD21 LEU A 37 -3.660 -2.032 -0.078 1.00 0.54 H new ATOM 0 HD22 LEU A 37 -4.169 -2.419 1.582 1.00 0.54 H new ATOM 0 HD23 LEU A 37 -2.441 -2.425 1.157 1.00 0.54 H new ATOM 595 N THR A 38 -1.801 -5.552 4.707 1.00 0.32 N ATOM 596 CA THR A 38 -1.828 -6.418 5.868 1.00 0.37 C ATOM 597 C THR A 38 -1.966 -5.607 7.153 1.00 0.35 C ATOM 598 O THR A 38 -3.073 -5.410 7.646 1.00 0.40 O ATOM 599 CB THR A 38 -0.570 -7.307 5.938 1.00 0.43 C ATOM 600 OG1 THR A 38 -0.438 -8.049 4.719 1.00 0.53 O ATOM 601 CG2 THR A 38 -0.647 -8.263 7.122 1.00 0.48 C ATOM 0 H THR A 38 -0.867 -5.271 4.409 1.00 0.32 H new ATOM 0 HA THR A 38 -2.699 -7.065 5.767 1.00 0.37 H new ATOM 0 HB THR A 38 0.302 -6.667 6.072 1.00 0.43 H new ATOM 0 HG1 THR A 38 0.363 -8.612 4.764 1.00 0.53 H new ATOM 0 HG21 THR A 38 0.251 -8.880 7.151 1.00 0.48 H new ATOM 0 HG22 THR A 38 -0.724 -7.691 8.047 1.00 0.48 H new ATOM 0 HG23 THR A 38 -1.523 -8.903 7.017 1.00 0.48 H new ATOM 609 N ASP A 39 -0.853 -5.108 7.672 1.00 0.34 N ATOM 610 CA ASP A 39 -0.859 -4.470 8.982 1.00 0.36 C ATOM 611 C ASP A 39 -0.964 -2.948 8.858 1.00 0.32 C ATOM 612 O ASP A 39 -1.053 -2.235 9.860 1.00 0.48 O ATOM 613 CB ASP A 39 0.388 -4.878 9.779 1.00 0.45 C ATOM 614 CG ASP A 39 1.657 -4.171 9.327 1.00 0.95 C ATOM 615 OD1 ASP A 39 1.859 -2.997 9.698 1.00 1.32 O ATOM 616 OD2 ASP A 39 2.469 -4.793 8.609 1.00 1.44 O ATOM 0 H ASP A 39 0.057 -5.131 7.212 1.00 0.34 H new ATOM 0 HA ASP A 39 -1.740 -4.812 9.525 1.00 0.36 H new ATOM 0 HB2 ASP A 39 0.220 -4.666 10.835 1.00 0.45 H new ATOM 0 HB3 ASP A 39 0.530 -5.955 9.689 1.00 0.45 H new ATOM 621 N GLY A 40 -0.966 -2.461 7.622 1.00 0.28 N ATOM 622 CA GLY A 40 -1.132 -1.037 7.372 1.00 0.27 C ATOM 623 C GLY A 40 0.176 -0.271 7.392 1.00 0.29 C ATOM 624 O GLY A 40 0.183 0.945 7.571 1.00 0.39 O ATOM 0 H GLY A 40 -0.855 -3.029 6.782 1.00 0.28 H new ATOM 0 HA2 GLY A 40 -1.612 -0.898 6.403 1.00 0.27 H new ATOM 0 HA3 GLY A 40 -1.802 -0.619 8.123 1.00 0.27 H new ATOM 628 N SER A 41 1.282 -0.977 7.219 1.00 0.29 N ATOM 629 CA SER A 41 2.582 -0.328 7.130 1.00 0.38 C ATOM 630 C SER A 41 2.668 0.547 5.884 1.00 0.32 C ATOM 631 O SER A 41 2.738 0.038 4.764 1.00 0.32 O ATOM 632 CB SER A 41 3.701 -1.372 7.105 1.00 0.51 C ATOM 633 OG SER A 41 3.838 -2.006 8.362 1.00 0.93 O ATOM 0 H SER A 41 1.307 -1.993 7.138 1.00 0.29 H new ATOM 0 HA SER A 41 2.702 0.304 8.010 1.00 0.38 H new ATOM 0 HB2 SER A 41 3.488 -2.118 6.340 1.00 0.51 H new ATOM 0 HB3 SER A 41 4.642 -0.894 6.831 1.00 0.51 H new ATOM 0 HG SER A 41 2.984 -1.971 8.841 1.00 0.93 H new ATOM 639 N VAL A 42 2.637 1.860 6.080 1.00 0.32 N ATOM 640 CA VAL A 42 2.869 2.789 4.986 1.00 0.28 C ATOM 641 C VAL A 42 4.356 3.012 4.855 1.00 0.29 C ATOM 642 O VAL A 42 4.985 3.654 5.696 1.00 0.35 O ATOM 643 CB VAL A 42 2.172 4.150 5.175 1.00 0.28 C ATOM 644 CG1 VAL A 42 2.488 5.070 3.997 1.00 0.26 C ATOM 645 CG2 VAL A 42 0.672 3.977 5.331 1.00 0.31 C ATOM 0 H VAL A 42 2.454 2.301 6.981 1.00 0.32 H new ATOM 0 HA VAL A 42 2.444 2.342 4.087 1.00 0.28 H new ATOM 0 HB VAL A 42 2.552 4.607 6.089 1.00 0.28 H new ATOM 0 HG11 VAL A 42 1.990 6.029 4.141 1.00 0.26 H new ATOM 0 HG12 VAL A 42 3.565 5.226 3.936 1.00 0.26 H new ATOM 0 HG13 VAL A 42 2.134 4.613 3.073 1.00 0.26 H new ATOM 0 HG21 VAL A 42 0.205 4.953 5.463 1.00 0.31 H new ATOM 0 HG22 VAL A 42 0.266 3.498 4.440 1.00 0.31 H new ATOM 0 HG23 VAL A 42 0.466 3.356 6.203 1.00 0.31 H new ATOM 655 N LEU A 43 4.919 2.457 3.815 1.00 0.28 N ATOM 656 CA LEU A 43 6.350 2.450 3.651 1.00 0.33 C ATOM 657 C LEU A 43 6.707 3.085 2.327 1.00 0.30 C ATOM 658 O LEU A 43 5.871 3.729 1.717 1.00 0.29 O ATOM 659 CB LEU A 43 6.832 1.009 3.744 1.00 0.44 C ATOM 660 CG LEU A 43 6.376 0.302 5.024 1.00 0.51 C ATOM 661 CD1 LEU A 43 6.761 -1.164 5.009 1.00 0.63 C ATOM 662 CD2 LEU A 43 6.956 0.997 6.250 1.00 0.54 C ATOM 0 H LEU A 43 4.404 2.000 3.062 1.00 0.28 H new ATOM 0 HA LEU A 43 6.841 3.031 4.432 1.00 0.33 H new ATOM 0 HB2 LEU A 43 6.467 0.454 2.880 1.00 0.44 H new ATOM 0 HB3 LEU A 43 7.921 0.993 3.696 1.00 0.44 H new ATOM 0 HG LEU A 43 5.289 0.360 5.072 1.00 0.51 H new ATOM 0 HD11 LEU A 43 6.424 -1.638 5.931 1.00 0.63 H new ATOM 0 HD12 LEU A 43 6.292 -1.655 4.156 1.00 0.63 H new ATOM 0 HD13 LEU A 43 7.844 -1.255 4.930 1.00 0.63 H new ATOM 0 HD21 LEU A 43 6.623 0.483 7.151 1.00 0.54 H new ATOM 0 HD22 LEU A 43 8.045 0.974 6.200 1.00 0.54 H new ATOM 0 HD23 LEU A 43 6.616 2.032 6.276 1.00 0.54 H new ATOM 674 N CYS A 44 7.944 2.945 1.900 1.00 0.40 N ATOM 675 CA CYS A 44 8.356 3.490 0.624 1.00 0.46 C ATOM 676 C CYS A 44 9.356 2.548 -0.022 1.00 0.61 C ATOM 677 O CYS A 44 9.809 1.588 0.613 1.00 0.71 O ATOM 678 CB CYS A 44 8.969 4.886 0.794 1.00 0.52 C ATOM 679 SG CYS A 44 10.675 4.885 1.396 1.00 0.71 S ATOM 0 H CYS A 44 8.679 2.461 2.415 1.00 0.40 H new ATOM 0 HA CYS A 44 7.480 3.589 -0.018 1.00 0.46 H new ATOM 0 HB2 CYS A 44 8.935 5.403 -0.165 1.00 0.52 H new ATOM 0 HB3 CYS A 44 8.352 5.458 1.487 1.00 0.52 H new ATOM 684 N GLY A 45 9.690 2.819 -1.268 1.00 0.68 N ATOM 685 CA GLY A 45 10.676 2.017 -1.954 1.00 0.87 C ATOM 686 C GLY A 45 11.961 2.781 -2.139 1.00 1.23 C ATOM 687 O GLY A 45 12.597 3.181 -1.169 1.00 2.12 O ATOM 0 H GLY A 45 9.296 3.581 -1.819 1.00 0.68 H new ATOM 0 HA2 GLY A 45 10.869 1.107 -1.386 1.00 0.87 H new ATOM 0 HA3 GLY A 45 10.288 1.710 -2.925 1.00 0.87 H new ATOM 691 N LYS A 46 12.338 2.989 -3.387 1.00 1.63 N ATOM 692 CA LYS A 46 13.487 3.813 -3.707 1.00 2.41 C ATOM 693 C LYS A 46 13.418 4.238 -5.171 1.00 2.38 C ATOM 694 O LYS A 46 12.326 4.491 -5.674 1.00 2.93 O ATOM 695 CB LYS A 46 14.808 3.099 -3.371 1.00 3.41 C ATOM 696 CG LYS A 46 15.105 1.842 -4.175 1.00 4.32 C ATOM 697 CD LYS A 46 16.406 1.198 -3.710 1.00 5.11 C ATOM 698 CE LYS A 46 17.531 2.223 -3.604 1.00 5.83 C ATOM 699 NZ LYS A 46 18.791 1.630 -3.083 1.00 6.44 N ATOM 0 H LYS A 46 11.862 2.596 -4.199 1.00 1.63 H new ATOM 0 HA LYS A 46 13.462 4.710 -3.088 1.00 2.41 H new ATOM 0 HB2 LYS A 46 15.627 3.803 -3.518 1.00 3.41 H new ATOM 0 HB3 LYS A 46 14.798 2.837 -2.313 1.00 3.41 H new ATOM 0 HG2 LYS A 46 14.284 1.133 -4.067 1.00 4.32 H new ATOM 0 HG3 LYS A 46 15.175 2.090 -5.234 1.00 4.32 H new ATOM 0 HD2 LYS A 46 16.252 0.724 -2.741 1.00 5.11 H new ATOM 0 HD3 LYS A 46 16.694 0.412 -4.408 1.00 5.11 H new ATOM 0 HE2 LYS A 46 17.716 2.658 -4.586 1.00 5.83 H new ATOM 0 HE3 LYS A 46 17.217 3.036 -2.949 1.00 5.83 H new ATOM 0 HZ1 LYS A 46 19.350 2.366 -2.606 1.00 6.44 H new ATOM 0 HZ2 LYS A 46 18.565 0.874 -2.406 1.00 6.44 H new ATOM 0 HZ3 LYS A 46 19.341 1.235 -3.872 1.00 6.44 H new ATOM 713 N TRP A 47 14.576 4.337 -5.837 1.00 2.40 N ATOM 714 CA TRP A 47 14.675 4.856 -7.212 1.00 2.90 C ATOM 715 C TRP A 47 14.571 6.378 -7.215 1.00 3.16 C ATOM 716 O TRP A 47 14.904 7.037 -8.200 1.00 3.82 O ATOM 717 CB TRP A 47 13.631 4.232 -8.149 1.00 3.59 C ATOM 718 CG TRP A 47 13.923 2.805 -8.510 1.00 3.94 C ATOM 719 CD1 TRP A 47 13.308 1.687 -8.015 1.00 4.43 C ATOM 720 CD2 TRP A 47 14.907 2.343 -9.445 1.00 4.46 C ATOM 721 NE1 TRP A 47 13.849 0.560 -8.590 1.00 5.12 N ATOM 722 CE2 TRP A 47 14.833 0.938 -9.468 1.00 5.13 C ATOM 723 CE3 TRP A 47 15.844 2.982 -10.264 1.00 4.85 C ATOM 724 CZ2 TRP A 47 15.658 0.162 -10.279 1.00 6.00 C ATOM 725 CZ3 TRP A 47 16.662 2.211 -11.068 1.00 5.76 C ATOM 726 CH2 TRP A 47 16.564 0.814 -11.070 1.00 6.25 C ATOM 0 H TRP A 47 15.473 4.060 -5.439 1.00 2.40 H new ATOM 0 HA TRP A 47 15.653 4.569 -7.597 1.00 2.90 H new ATOM 0 HB2 TRP A 47 12.651 4.284 -7.674 1.00 3.59 H new ATOM 0 HB3 TRP A 47 13.575 4.825 -9.062 1.00 3.59 H new ATOM 0 HD1 TRP A 47 12.515 1.689 -7.282 1.00 4.43 H new ATOM 0 HE1 TRP A 47 13.565 -0.400 -8.395 1.00 5.12 H new ATOM 0 HE3 TRP A 47 15.927 4.059 -10.268 1.00 4.85 H new ATOM 0 HZ2 TRP A 47 15.585 -0.916 -10.283 1.00 6.00 H new ATOM 0 HZ3 TRP A 47 17.388 2.694 -11.705 1.00 5.76 H new ATOM 0 HH2 TRP A 47 17.217 0.239 -11.710 1.00 6.25 H new ATOM 737 N PHE A 48 14.103 6.927 -6.098 1.00 3.23 N ATOM 738 CA PHE A 48 14.190 8.356 -5.837 1.00 3.94 C ATOM 739 C PHE A 48 15.602 8.672 -5.350 1.00 3.98 C ATOM 740 O PHE A 48 16.007 9.829 -5.244 1.00 4.37 O ATOM 741 CB PHE A 48 13.137 8.765 -4.794 1.00 4.71 C ATOM 742 CG PHE A 48 13.122 10.235 -4.468 1.00 5.10 C ATOM 743 CD1 PHE A 48 12.544 11.146 -5.338 1.00 5.41 C ATOM 744 CD2 PHE A 48 13.690 10.704 -3.295 1.00 5.51 C ATOM 745 CE1 PHE A 48 12.530 12.496 -5.043 1.00 6.04 C ATOM 746 CE2 PHE A 48 13.681 12.054 -2.994 1.00 6.19 C ATOM 747 CZ PHE A 48 13.089 12.949 -3.864 1.00 6.43 C ATOM 0 H PHE A 48 13.655 6.394 -5.352 1.00 3.23 H new ATOM 0 HA PHE A 48 13.990 8.922 -6.747 1.00 3.94 H new ATOM 0 HB2 PHE A 48 12.151 8.476 -5.158 1.00 4.71 H new ATOM 0 HB3 PHE A 48 13.315 8.204 -3.877 1.00 4.71 H new ATOM 0 HD1 PHE A 48 12.099 10.796 -6.258 1.00 5.41 H new ATOM 0 HD2 PHE A 48 14.145 10.007 -2.607 1.00 5.51 H new ATOM 0 HE1 PHE A 48 12.083 13.196 -5.733 1.00 6.04 H new ATOM 0 HE2 PHE A 48 14.136 12.408 -2.081 1.00 6.19 H new ATOM 0 HZ PHE A 48 13.063 14.001 -3.623 1.00 6.43 H new ATOM 757 N PHE A 49 16.334 7.583 -5.083 1.00 4.01 N ATOM 758 CA PHE A 49 17.732 7.610 -4.664 1.00 4.29 C ATOM 759 C PHE A 49 17.875 7.989 -3.198 1.00 4.03 C ATOM 760 O PHE A 49 17.448 9.059 -2.767 1.00 4.43 O ATOM 761 CB PHE A 49 18.575 8.525 -5.557 1.00 5.23 C ATOM 762 CG PHE A 49 18.670 8.033 -6.975 1.00 5.92 C ATOM 763 CD1 PHE A 49 19.456 6.934 -7.289 1.00 6.27 C ATOM 764 CD2 PHE A 49 17.962 8.656 -7.990 1.00 6.52 C ATOM 765 CE1 PHE A 49 19.536 6.469 -8.587 1.00 7.24 C ATOM 766 CE2 PHE A 49 18.038 8.193 -9.291 1.00 7.39 C ATOM 767 CZ PHE A 49 18.826 7.099 -9.589 1.00 7.76 C ATOM 0 H PHE A 49 15.957 6.638 -5.156 1.00 4.01 H new ATOM 0 HA PHE A 49 18.115 6.596 -4.779 1.00 4.29 H new ATOM 0 HB2 PHE A 49 18.144 9.526 -5.553 1.00 5.23 H new ATOM 0 HB3 PHE A 49 19.578 8.609 -5.139 1.00 5.23 H new ATOM 0 HD1 PHE A 49 20.012 6.436 -6.509 1.00 6.27 H new ATOM 0 HD2 PHE A 49 17.344 9.512 -7.763 1.00 6.52 H new ATOM 0 HE1 PHE A 49 20.153 5.613 -8.818 1.00 7.24 H new ATOM 0 HE2 PHE A 49 17.481 8.687 -10.074 1.00 7.39 H new ATOM 0 HZ PHE A 49 18.887 6.737 -10.605 1.00 7.76 H new ATOM 777 N ASP A 50 18.484 7.088 -2.438 1.00 3.84 N ATOM 778 CA ASP A 50 18.713 7.294 -1.014 1.00 4.03 C ATOM 779 C ASP A 50 19.847 8.292 -0.786 1.00 3.49 C ATOM 780 O ASP A 50 20.932 7.945 -0.328 1.00 3.96 O ATOM 781 CB ASP A 50 19.002 5.955 -0.307 1.00 4.77 C ATOM 782 CG ASP A 50 19.975 5.064 -1.067 1.00 5.24 C ATOM 783 OD1 ASP A 50 19.541 4.307 -1.961 1.00 5.68 O ATOM 784 OD2 ASP A 50 21.191 5.114 -0.775 1.00 5.52 O ATOM 0 H ASP A 50 18.832 6.196 -2.790 1.00 3.84 H new ATOM 0 HA ASP A 50 17.805 7.713 -0.580 1.00 4.03 H new ATOM 0 HB2 ASP A 50 19.406 6.157 0.685 1.00 4.77 H new ATOM 0 HB3 ASP A 50 18.064 5.418 -0.166 1.00 4.77 H new ATOM 789 N SER A 51 19.588 9.540 -1.143 1.00 2.95 N ATOM 790 CA SER A 51 20.525 10.625 -0.904 1.00 2.87 C ATOM 791 C SER A 51 19.776 11.819 -0.316 1.00 2.57 C ATOM 792 O SER A 51 20.143 12.975 -0.528 1.00 3.12 O ATOM 793 CB SER A 51 21.217 11.011 -2.214 1.00 3.44 C ATOM 794 OG SER A 51 21.749 9.861 -2.858 1.00 4.15 O ATOM 0 H SER A 51 18.725 9.828 -1.605 1.00 2.95 H new ATOM 0 HA SER A 51 21.288 10.304 -0.195 1.00 2.87 H new ATOM 0 HB2 SER A 51 20.506 11.508 -2.874 1.00 3.44 H new ATOM 0 HB3 SER A 51 22.017 11.724 -2.013 1.00 3.44 H new ATOM 0 HG SER A 51 22.186 10.127 -3.694 1.00 4.15 H new ATOM 800 N SER A 52 18.726 11.505 0.434 1.00 2.29 N ATOM 801 CA SER A 52 17.821 12.501 1.003 1.00 2.37 C ATOM 802 C SER A 52 16.699 11.773 1.735 1.00 1.79 C ATOM 803 O SER A 52 16.214 12.213 2.782 1.00 2.13 O ATOM 804 CB SER A 52 17.237 13.393 -0.103 1.00 3.06 C ATOM 805 OG SER A 52 16.549 14.518 0.428 1.00 3.81 O ATOM 0 H SER A 52 18.475 10.544 0.667 1.00 2.29 H new ATOM 0 HA SER A 52 18.369 13.139 1.697 1.00 2.37 H new ATOM 0 HB2 SER A 52 18.041 13.734 -0.756 1.00 3.06 H new ATOM 0 HB3 SER A 52 16.554 12.807 -0.718 1.00 3.06 H new ATOM 0 HG SER A 52 16.194 15.061 -0.307 1.00 3.81 H new ATOM 811 N GLY A 53 16.300 10.645 1.165 1.00 1.40 N ATOM 812 CA GLY A 53 15.268 9.825 1.748 1.00 1.25 C ATOM 813 C GLY A 53 14.846 8.732 0.793 1.00 1.07 C ATOM 814 O GLY A 53 15.196 8.774 -0.383 1.00 1.28 O ATOM 0 H GLY A 53 16.684 10.282 0.293 1.00 1.40 H new ATOM 0 HA2 GLY A 53 15.630 9.383 2.676 1.00 1.25 H new ATOM 0 HA3 GLY A 53 14.407 10.443 2.003 1.00 1.25 H new ATOM 818 N GLY A 54 14.107 7.755 1.291 1.00 0.86 N ATOM 819 CA GLY A 54 13.642 6.680 0.437 1.00 0.86 C ATOM 820 C GLY A 54 14.320 5.362 0.734 1.00 0.91 C ATOM 821 O GLY A 54 14.903 4.734 -0.150 1.00 1.55 O ATOM 0 H GLY A 54 13.821 7.685 2.267 1.00 0.86 H new ATOM 0 HA2 GLY A 54 12.565 6.565 0.559 1.00 0.86 H new ATOM 0 HA3 GLY A 54 13.818 6.948 -0.605 1.00 0.86 H new ATOM 825 N ASN A 55 14.271 4.963 1.996 1.00 0.89 N ATOM 826 CA ASN A 55 14.718 3.639 2.397 1.00 0.87 C ATOM 827 C ASN A 55 13.617 2.630 2.102 1.00 1.01 C ATOM 828 O ASN A 55 12.464 2.841 2.486 1.00 1.21 O ATOM 829 CB ASN A 55 15.063 3.623 3.890 1.00 0.83 C ATOM 830 CG ASN A 55 16.227 4.535 4.242 1.00 1.45 C ATOM 831 OD1 ASN A 55 16.264 5.112 5.327 1.00 2.39 O ATOM 832 ND2 ASN A 55 17.181 4.675 3.333 1.00 1.63 N ATOM 0 H ASN A 55 13.925 5.540 2.762 1.00 0.89 H new ATOM 0 HA ASN A 55 15.614 3.375 1.836 1.00 0.87 H new ATOM 0 HB2 ASN A 55 14.186 3.925 4.463 1.00 0.83 H new ATOM 0 HB3 ASN A 55 15.304 2.603 4.190 1.00 0.83 H new ATOM 0 HD21 ASN A 55 17.981 5.278 3.522 1.00 1.63 H new ATOM 0 HD22 ASN A 55 17.115 4.180 2.444 1.00 1.63 H new ATOM 839 N GLY A 56 13.966 1.546 1.420 1.00 1.23 N ATOM 840 CA GLY A 56 12.970 0.578 0.993 1.00 1.44 C ATOM 841 C GLY A 56 12.464 -0.296 2.125 1.00 1.14 C ATOM 842 O GLY A 56 12.847 -1.460 2.237 1.00 1.07 O ATOM 0 H GLY A 56 14.924 1.318 1.154 1.00 1.23 H new ATOM 0 HA2 GLY A 56 12.128 1.106 0.546 1.00 1.44 H new ATOM 0 HA3 GLY A 56 13.398 -0.056 0.216 1.00 1.44 H new ATOM 846 N HIS A 57 11.582 0.258 2.952 1.00 1.06 N ATOM 847 CA HIS A 57 11.043 -0.475 4.096 1.00 0.77 C ATOM 848 C HIS A 57 10.123 -1.580 3.624 1.00 0.66 C ATOM 849 O HIS A 57 9.904 -2.552 4.331 1.00 0.55 O ATOM 850 CB HIS A 57 10.256 0.426 5.052 1.00 0.68 C ATOM 851 CG HIS A 57 10.674 1.853 5.052 1.00 0.72 C ATOM 852 ND1 HIS A 57 11.892 2.299 5.505 1.00 1.73 N ATOM 853 CD2 HIS A 57 9.996 2.953 4.638 1.00 0.82 C ATOM 854 CE1 HIS A 57 11.919 3.626 5.355 1.00 1.92 C ATOM 855 NE2 HIS A 57 10.790 4.066 4.838 1.00 1.19 N ATOM 0 H HIS A 57 11.226 1.209 2.853 1.00 1.06 H new ATOM 0 HA HIS A 57 11.900 -0.884 4.631 1.00 0.77 H new ATOM 0 HB2 HIS A 57 9.199 0.372 4.792 1.00 0.68 H new ATOM 0 HB3 HIS A 57 10.356 0.033 6.064 1.00 0.68 H new ATOM 0 HD1 HIS A 57 12.641 1.721 5.887 1.00 1.73 H new ATOM 0 HD2 HIS A 57 9.000 2.958 4.221 1.00 0.82 H new ATOM 0 HE1 HIS A 57 12.755 4.255 5.622 1.00 1.92 H new ATOM 863 N ALA A 58 9.566 -1.418 2.432 1.00 0.78 N ATOM 864 CA ALA A 58 8.676 -2.424 1.878 1.00 0.75 C ATOM 865 C ALA A 58 9.438 -3.723 1.644 1.00 0.66 C ATOM 866 O ALA A 58 8.884 -4.809 1.766 1.00 0.54 O ATOM 867 CB ALA A 58 8.047 -1.922 0.587 1.00 0.97 C ATOM 0 H ALA A 58 9.714 -0.605 1.835 1.00 0.78 H new ATOM 0 HA ALA A 58 7.874 -2.619 2.590 1.00 0.75 H new ATOM 0 HB1 ALA A 58 7.383 -2.687 0.184 1.00 0.97 H new ATOM 0 HB2 ALA A 58 7.476 -1.016 0.789 1.00 0.97 H new ATOM 0 HB3 ALA A 58 8.831 -1.703 -0.138 1.00 0.97 H new ATOM 873 N LEU A 59 10.722 -3.593 1.330 1.00 0.78 N ATOM 874 CA LEU A 59 11.594 -4.748 1.161 1.00 0.79 C ATOM 875 C LEU A 59 11.882 -5.354 2.527 1.00 0.66 C ATOM 876 O LEU A 59 11.771 -6.565 2.734 1.00 0.63 O ATOM 877 CB LEU A 59 12.911 -4.323 0.509 1.00 0.98 C ATOM 878 CG LEU A 59 12.779 -3.295 -0.615 1.00 1.75 C ATOM 879 CD1 LEU A 59 14.152 -2.893 -1.128 1.00 2.28 C ATOM 880 CD2 LEU A 59 11.922 -3.837 -1.751 1.00 2.31 C ATOM 0 H LEU A 59 11.183 -2.695 1.187 1.00 0.78 H new ATOM 0 HA LEU A 59 11.102 -5.480 0.521 1.00 0.79 H new ATOM 0 HB2 LEU A 59 13.564 -3.913 1.280 1.00 0.98 H new ATOM 0 HB3 LEU A 59 13.404 -5.210 0.112 1.00 0.98 H new ATOM 0 HG LEU A 59 12.285 -2.411 -0.212 1.00 1.75 H new ATOM 0 HD11 LEU A 59 14.042 -2.161 -1.928 1.00 2.28 H new ATOM 0 HD12 LEU A 59 14.731 -2.457 -0.314 1.00 2.28 H new ATOM 0 HD13 LEU A 59 14.669 -3.773 -1.511 1.00 2.28 H new ATOM 0 HD21 LEU A 59 11.844 -3.087 -2.538 1.00 2.31 H new ATOM 0 HD22 LEU A 59 12.381 -4.739 -2.155 1.00 2.31 H new ATOM 0 HD23 LEU A 59 10.927 -4.074 -1.375 1.00 2.31 H new ATOM 892 N GLU A 60 12.247 -4.477 3.455 1.00 0.66 N ATOM 893 CA GLU A 60 12.510 -4.864 4.838 1.00 0.65 C ATOM 894 C GLU A 60 11.290 -5.564 5.443 1.00 0.51 C ATOM 895 O GLU A 60 11.398 -6.651 6.002 1.00 0.57 O ATOM 896 CB GLU A 60 12.860 -3.629 5.678 1.00 0.76 C ATOM 897 CG GLU A 60 13.977 -2.777 5.092 1.00 0.99 C ATOM 898 CD GLU A 60 14.301 -1.568 5.951 1.00 1.98 C ATOM 899 OE1 GLU A 60 13.573 -0.557 5.860 1.00 2.64 O ATOM 900 OE2 GLU A 60 15.279 -1.623 6.729 1.00 2.58 O ATOM 0 H GLU A 60 12.369 -3.481 3.272 1.00 0.66 H new ATOM 0 HA GLU A 60 13.353 -5.554 4.843 1.00 0.65 H new ATOM 0 HB2 GLU A 60 11.968 -3.013 5.789 1.00 0.76 H new ATOM 0 HB3 GLU A 60 13.150 -3.953 6.678 1.00 0.76 H new ATOM 0 HG2 GLU A 60 14.873 -3.387 4.978 1.00 0.99 H new ATOM 0 HG3 GLU A 60 13.689 -2.443 4.095 1.00 0.99 H new ATOM 907 N HIS A 61 10.126 -4.942 5.290 1.00 0.43 N ATOM 908 CA HIS A 61 8.890 -5.440 5.882 1.00 0.41 C ATOM 909 C HIS A 61 8.400 -6.691 5.154 1.00 0.38 C ATOM 910 O HIS A 61 7.682 -7.516 5.728 1.00 0.40 O ATOM 911 CB HIS A 61 7.817 -4.349 5.850 1.00 0.57 C ATOM 912 CG HIS A 61 6.810 -4.461 6.961 1.00 0.94 C ATOM 913 ND1 HIS A 61 7.104 -4.159 8.271 1.00 1.54 N ATOM 914 CD2 HIS A 61 5.512 -4.840 6.950 1.00 1.45 C ATOM 915 CE1 HIS A 61 6.032 -4.348 9.017 1.00 1.72 C ATOM 916 NE2 HIS A 61 5.049 -4.761 8.239 1.00 1.60 N ATOM 0 H HIS A 61 10.013 -4.082 4.754 1.00 0.43 H new ATOM 0 HA HIS A 61 9.090 -5.711 6.919 1.00 0.41 H new ATOM 0 HB2 HIS A 61 8.301 -3.374 5.907 1.00 0.57 H new ATOM 0 HB3 HIS A 61 7.296 -4.391 4.893 1.00 0.57 H new ATOM 0 HD2 HIS A 61 4.944 -5.148 6.085 1.00 1.45 H new ATOM 0 HE1 HIS A 61 5.970 -4.191 10.084 1.00 1.72 H new ATOM 0 HE2 HIS A 61 4.102 -4.984 8.545 1.00 1.60 H new ATOM 925 N TYR A 62 8.779 -6.822 3.889 1.00 0.44 N ATOM 926 CA TYR A 62 8.522 -8.041 3.131 1.00 0.54 C ATOM 927 C TYR A 62 9.304 -9.191 3.748 1.00 0.59 C ATOM 928 O TYR A 62 8.871 -10.339 3.734 1.00 0.67 O ATOM 929 CB TYR A 62 8.914 -7.841 1.661 1.00 0.69 C ATOM 930 CG TYR A 62 8.973 -9.115 0.845 1.00 0.97 C ATOM 931 CD1 TYR A 62 7.817 -9.766 0.433 1.00 1.08 C ATOM 932 CD2 TYR A 62 10.196 -9.662 0.484 1.00 1.39 C ATOM 933 CE1 TYR A 62 7.881 -10.928 -0.316 1.00 1.55 C ATOM 934 CE2 TYR A 62 10.270 -10.820 -0.263 1.00 1.89 C ATOM 935 CZ TYR A 62 9.112 -11.450 -0.661 1.00 1.97 C ATOM 936 OH TYR A 62 9.185 -12.607 -1.407 1.00 2.50 O ATOM 0 H TYR A 62 9.267 -6.096 3.364 1.00 0.44 H new ATOM 0 HA TYR A 62 7.459 -8.278 3.168 1.00 0.54 H new ATOM 0 HB2 TYR A 62 8.199 -7.161 1.197 1.00 0.69 H new ATOM 0 HB3 TYR A 62 9.889 -7.354 1.622 1.00 0.69 H new ATOM 0 HD1 TYR A 62 6.853 -9.359 0.701 1.00 1.08 H new ATOM 0 HD2 TYR A 62 11.107 -9.172 0.794 1.00 1.39 H new ATOM 0 HE1 TYR A 62 6.974 -11.423 -0.629 1.00 1.55 H new ATOM 0 HE2 TYR A 62 11.232 -11.230 -0.534 1.00 1.89 H new ATOM 0 HH TYR A 62 10.125 -12.837 -1.563 1.00 2.50 H new ATOM 946 N ARG A 63 10.461 -8.865 4.297 1.00 0.60 N ATOM 947 CA ARG A 63 11.273 -9.833 5.015 1.00 0.73 C ATOM 948 C ARG A 63 10.753 -10.026 6.438 1.00 0.75 C ATOM 949 O ARG A 63 10.802 -11.129 6.983 1.00 0.87 O ATOM 950 CB ARG A 63 12.720 -9.375 5.014 1.00 0.80 C ATOM 951 CG ARG A 63 13.348 -9.515 3.643 1.00 1.19 C ATOM 952 CD ARG A 63 14.647 -8.738 3.528 1.00 1.33 C ATOM 953 NE ARG A 63 15.569 -9.025 4.621 1.00 1.71 N ATOM 954 CZ ARG A 63 16.836 -8.617 4.653 1.00 2.01 C ATOM 955 NH1 ARG A 63 17.363 -7.981 3.613 1.00 1.88 N ATOM 956 NH2 ARG A 63 17.575 -8.854 5.725 1.00 2.76 N ATOM 0 H ARG A 63 10.863 -7.928 4.259 1.00 0.60 H new ATOM 0 HA ARG A 63 11.211 -10.799 4.513 1.00 0.73 H new ATOM 0 HB2 ARG A 63 12.773 -8.335 5.335 1.00 0.80 H new ATOM 0 HB3 ARG A 63 13.288 -9.961 5.737 1.00 0.80 H new ATOM 0 HG2 ARG A 63 13.537 -10.569 3.437 1.00 1.19 H new ATOM 0 HG3 ARG A 63 12.647 -9.163 2.886 1.00 1.19 H new ATOM 0 HD2 ARG A 63 15.127 -8.978 2.579 1.00 1.33 H new ATOM 0 HD3 ARG A 63 14.428 -7.670 3.513 1.00 1.33 H new ATOM 0 HE ARG A 63 15.222 -9.572 5.409 1.00 1.71 H new ATOM 0 HH11 ARG A 63 16.796 -7.803 2.784 1.00 1.88 H new ATOM 0 HH12 ARG A 63 18.334 -7.671 3.644 1.00 1.88 H new ATOM 0 HH21 ARG A 63 17.173 -9.347 6.522 1.00 2.76 H new ATOM 0 HH22 ARG A 63 18.546 -8.543 5.754 1.00 2.76 H new ATOM 970 N ASP A 64 10.252 -8.944 7.033 1.00 0.68 N ATOM 971 CA ASP A 64 9.658 -8.994 8.372 1.00 0.75 C ATOM 972 C ASP A 64 8.443 -9.910 8.415 1.00 0.75 C ATOM 973 O ASP A 64 8.413 -10.880 9.167 1.00 0.89 O ATOM 974 CB ASP A 64 9.211 -7.602 8.839 1.00 0.75 C ATOM 975 CG ASP A 64 10.303 -6.803 9.521 1.00 1.18 C ATOM 976 OD1 ASP A 64 11.179 -6.263 8.811 1.00 1.85 O ATOM 977 OD2 ASP A 64 10.321 -6.748 10.767 1.00 1.43 O ATOM 0 H ASP A 64 10.245 -8.017 6.608 1.00 0.68 H new ATOM 0 HA ASP A 64 10.435 -9.379 9.032 1.00 0.75 H new ATOM 0 HB2 ASP A 64 8.847 -7.040 7.979 1.00 0.75 H new ATOM 0 HB3 ASP A 64 8.372 -7.712 9.526 1.00 0.75 H new ATOM 982 N MET A 65 7.445 -9.600 7.597 1.00 0.63 N ATOM 983 CA MET A 65 6.162 -10.289 7.671 1.00 0.67 C ATOM 984 C MET A 65 5.957 -11.234 6.496 1.00 0.65 C ATOM 985 O MET A 65 5.477 -12.352 6.663 1.00 0.80 O ATOM 986 CB MET A 65 5.018 -9.279 7.730 1.00 0.68 C ATOM 987 CG MET A 65 5.078 -8.383 8.953 1.00 0.75 C ATOM 988 SD MET A 65 4.817 -9.280 10.496 1.00 1.35 S ATOM 989 CE MET A 65 3.189 -9.977 10.219 1.00 1.84 C ATOM 0 H MET A 65 7.498 -8.879 6.877 1.00 0.63 H new ATOM 0 HA MET A 65 6.167 -10.886 8.583 1.00 0.67 H new ATOM 0 HB2 MET A 65 5.040 -8.661 6.833 1.00 0.68 H new ATOM 0 HB3 MET A 65 4.068 -9.814 7.725 1.00 0.68 H new ATOM 0 HG2 MET A 65 6.048 -7.888 8.987 1.00 0.75 H new ATOM 0 HG3 MET A 65 4.324 -7.601 8.861 1.00 0.75 H new ATOM 0 HE1 MET A 65 2.734 -10.231 11.176 1.00 1.84 H new ATOM 0 HE2 MET A 65 2.564 -9.248 9.703 1.00 1.84 H new ATOM 0 HE3 MET A 65 3.277 -10.876 9.609 1.00 1.84 H new ATOM 999 N GLY A 66 6.335 -10.777 5.310 1.00 0.56 N ATOM 1000 CA GLY A 66 6.179 -11.591 4.118 1.00 0.64 C ATOM 1001 C GLY A 66 4.951 -11.225 3.310 1.00 0.70 C ATOM 1002 O GLY A 66 4.480 -12.019 2.496 1.00 1.36 O ATOM 0 H GLY A 66 6.747 -9.858 5.151 1.00 0.56 H new ATOM 0 HA2 GLY A 66 7.065 -11.483 3.492 1.00 0.64 H new ATOM 0 HA3 GLY A 66 6.118 -12.640 4.406 1.00 0.64 H new ATOM 1006 N TYR A 67 4.430 -10.022 3.531 1.00 0.55 N ATOM 1007 CA TYR A 67 3.247 -9.562 2.813 1.00 0.49 C ATOM 1008 C TYR A 67 3.568 -9.366 1.336 1.00 0.53 C ATOM 1009 O TYR A 67 4.589 -8.775 0.982 1.00 0.82 O ATOM 1010 CB TYR A 67 2.701 -8.256 3.410 1.00 0.64 C ATOM 1011 CG TYR A 67 3.562 -7.034 3.154 1.00 1.61 C ATOM 1012 CD1 TYR A 67 4.605 -6.705 4.016 1.00 2.04 C ATOM 1013 CD2 TYR A 67 3.348 -6.222 2.051 1.00 2.31 C ATOM 1014 CE1 TYR A 67 5.401 -5.605 3.784 1.00 2.98 C ATOM 1015 CE2 TYR A 67 4.146 -5.122 1.814 1.00 3.28 C ATOM 1016 CZ TYR A 67 5.109 -4.774 2.687 1.00 3.57 C ATOM 1017 OH TYR A 67 5.967 -3.726 2.440 1.00 4.55 O ATOM 0 H TYR A 67 4.807 -9.350 4.199 1.00 0.55 H new ATOM 0 HA TYR A 67 2.478 -10.328 2.915 1.00 0.49 H new ATOM 0 HB2 TYR A 67 1.706 -8.074 3.003 1.00 0.64 H new ATOM 0 HB3 TYR A 67 2.587 -8.384 4.486 1.00 0.64 H new ATOM 0 HD1 TYR A 67 4.793 -7.323 4.881 1.00 2.04 H new ATOM 0 HD2 TYR A 67 2.545 -6.454 1.367 1.00 2.31 H new ATOM 0 HE1 TYR A 67 6.235 -5.384 4.433 1.00 2.98 H new ATOM 0 HE2 TYR A 67 3.997 -4.535 0.920 1.00 3.28 H new ATOM 0 HH TYR A 67 5.657 -3.228 1.655 1.00 4.55 H new ATOM 1027 N PRO A 68 2.712 -9.879 0.455 1.00 0.46 N ATOM 1028 CA PRO A 68 2.877 -9.743 -0.974 1.00 0.59 C ATOM 1029 C PRO A 68 2.002 -8.647 -1.579 1.00 0.49 C ATOM 1030 O PRO A 68 1.775 -8.640 -2.785 1.00 0.64 O ATOM 1031 CB PRO A 68 2.415 -11.114 -1.459 1.00 0.80 C ATOM 1032 CG PRO A 68 1.365 -11.548 -0.473 1.00 0.88 C ATOM 1033 CD PRO A 68 1.535 -10.699 0.769 1.00 0.59 C ATOM 0 HA PRO A 68 3.891 -9.461 -1.256 1.00 0.59 H new ATOM 0 HB2 PRO A 68 2.008 -11.058 -2.469 1.00 0.80 H new ATOM 0 HB3 PRO A 68 3.244 -11.821 -1.488 1.00 0.80 H new ATOM 0 HG2 PRO A 68 0.367 -11.419 -0.893 1.00 0.88 H new ATOM 0 HG3 PRO A 68 1.476 -12.606 -0.234 1.00 0.88 H new ATOM 0 HD2 PRO A 68 0.655 -10.084 0.960 1.00 0.59 H new ATOM 0 HD3 PRO A 68 1.696 -11.311 1.657 1.00 0.59 H new ATOM 1041 N LEU A 69 1.518 -7.718 -0.756 1.00 0.34 N ATOM 1042 CA LEU A 69 0.537 -6.736 -1.221 1.00 0.28 C ATOM 1043 C LEU A 69 0.695 -5.383 -0.540 1.00 0.24 C ATOM 1044 O LEU A 69 0.677 -5.278 0.693 1.00 0.27 O ATOM 1045 CB LEU A 69 -0.871 -7.256 -0.965 1.00 0.34 C ATOM 1046 CG LEU A 69 -1.220 -8.556 -1.672 1.00 0.43 C ATOM 1047 CD1 LEU A 69 -2.368 -9.228 -0.952 1.00 0.61 C ATOM 1048 CD2 LEU A 69 -1.574 -8.294 -3.131 1.00 0.43 C ATOM 0 H LEU A 69 1.784 -7.624 0.224 1.00 0.34 H new ATOM 0 HA LEU A 69 0.709 -6.594 -2.288 1.00 0.28 H new ATOM 0 HB2 LEU A 69 -0.999 -7.399 0.108 1.00 0.34 H new ATOM 0 HB3 LEU A 69 -1.585 -6.491 -1.272 1.00 0.34 H new ATOM 0 HG LEU A 69 -0.354 -9.218 -1.653 1.00 0.43 H new ATOM 0 HD11 LEU A 69 -2.619 -10.160 -1.458 1.00 0.61 H new ATOM 0 HD12 LEU A 69 -2.078 -9.440 0.077 1.00 0.61 H new ATOM 0 HD13 LEU A 69 -3.236 -8.568 -0.955 1.00 0.61 H new ATOM 0 HD21 LEU A 69 -1.821 -9.236 -3.620 1.00 0.43 H new ATOM 0 HD22 LEU A 69 -2.431 -7.623 -3.183 1.00 0.43 H new ATOM 0 HD23 LEU A 69 -0.723 -7.835 -3.635 1.00 0.43 H new ATOM 1060 N ALA A 70 0.818 -4.350 -1.358 1.00 0.22 N ATOM 1061 CA ALA A 70 0.894 -2.980 -0.874 1.00 0.24 C ATOM 1062 C ALA A 70 0.386 -2.013 -1.938 1.00 0.27 C ATOM 1063 O ALA A 70 0.602 -2.224 -3.130 1.00 0.32 O ATOM 1064 CB ALA A 70 2.321 -2.635 -0.476 1.00 0.27 C ATOM 0 H ALA A 70 0.868 -4.436 -2.373 1.00 0.22 H new ATOM 0 HA ALA A 70 0.260 -2.888 0.008 1.00 0.24 H new ATOM 0 HB1 ALA A 70 2.360 -1.607 -0.116 1.00 0.27 H new ATOM 0 HB2 ALA A 70 2.651 -3.309 0.315 1.00 0.27 H new ATOM 0 HB3 ALA A 70 2.976 -2.742 -1.341 1.00 0.27 H new ATOM 1070 N VAL A 71 -0.300 -0.968 -1.501 1.00 0.26 N ATOM 1071 CA VAL A 71 -0.814 0.047 -2.410 1.00 0.29 C ATOM 1072 C VAL A 71 0.245 1.103 -2.667 1.00 0.30 C ATOM 1073 O VAL A 71 0.743 1.722 -1.728 1.00 0.29 O ATOM 1074 CB VAL A 71 -2.080 0.743 -1.843 1.00 0.31 C ATOM 1075 CG1 VAL A 71 -2.559 1.842 -2.780 1.00 0.36 C ATOM 1076 CG2 VAL A 71 -3.188 -0.268 -1.604 1.00 0.32 C ATOM 0 H VAL A 71 -0.515 -0.800 -0.518 1.00 0.26 H new ATOM 0 HA VAL A 71 -1.080 -0.459 -3.338 1.00 0.29 H new ATOM 0 HB VAL A 71 -1.815 1.197 -0.888 1.00 0.31 H new ATOM 0 HG11 VAL A 71 -3.447 2.315 -2.362 1.00 0.36 H new ATOM 0 HG12 VAL A 71 -1.773 2.587 -2.899 1.00 0.36 H new ATOM 0 HG13 VAL A 71 -2.801 1.412 -3.752 1.00 0.36 H new ATOM 0 HG21 VAL A 71 -4.066 0.241 -1.207 1.00 0.32 H new ATOM 0 HG22 VAL A 71 -3.446 -0.755 -2.545 1.00 0.32 H new ATOM 0 HG23 VAL A 71 -2.849 -1.017 -0.889 1.00 0.32 H new ATOM 1086 N LYS A 72 0.600 1.305 -3.930 1.00 0.33 N ATOM 1087 CA LYS A 72 1.525 2.366 -4.275 1.00 0.36 C ATOM 1088 C LYS A 72 0.806 3.698 -4.180 1.00 0.37 C ATOM 1089 O LYS A 72 0.031 4.072 -5.059 1.00 0.42 O ATOM 1090 CB LYS A 72 2.118 2.188 -5.669 1.00 0.43 C ATOM 1091 CG LYS A 72 3.176 3.231 -5.973 1.00 0.50 C ATOM 1092 CD LYS A 72 3.743 3.086 -7.373 1.00 0.89 C ATOM 1093 CE LYS A 72 4.828 4.119 -7.630 1.00 0.91 C ATOM 1094 NZ LYS A 72 5.480 3.931 -8.953 1.00 1.54 N ATOM 0 H LYS A 72 0.264 0.754 -4.720 1.00 0.33 H new ATOM 0 HA LYS A 72 2.356 2.332 -3.571 1.00 0.36 H new ATOM 0 HB2 LYS A 72 2.555 1.193 -5.753 1.00 0.43 H new ATOM 0 HB3 LYS A 72 1.323 2.251 -6.412 1.00 0.43 H new ATOM 0 HG2 LYS A 72 2.745 4.226 -5.859 1.00 0.50 H new ATOM 0 HG3 LYS A 72 3.984 3.148 -5.246 1.00 0.50 H new ATOM 0 HD2 LYS A 72 4.152 2.084 -7.502 1.00 0.89 H new ATOM 0 HD3 LYS A 72 2.945 3.201 -8.106 1.00 0.89 H new ATOM 0 HE2 LYS A 72 4.396 5.118 -7.579 1.00 0.91 H new ATOM 0 HE3 LYS A 72 5.580 4.057 -6.844 1.00 0.91 H new ATOM 0 HZ1 LYS A 72 6.213 4.657 -9.085 1.00 1.54 H new ATOM 0 HZ2 LYS A 72 5.916 2.988 -8.994 1.00 1.54 H new ATOM 0 HZ3 LYS A 72 4.768 4.016 -9.706 1.00 1.54 H new ATOM 1108 N LEU A 73 1.060 4.394 -3.095 1.00 0.33 N ATOM 1109 CA LEU A 73 0.368 5.626 -2.791 1.00 0.33 C ATOM 1110 C LEU A 73 0.763 6.726 -3.762 1.00 0.35 C ATOM 1111 O LEU A 73 1.819 6.668 -4.389 1.00 0.38 O ATOM 1112 CB LEU A 73 0.677 6.028 -1.358 1.00 0.32 C ATOM 1113 CG LEU A 73 0.485 4.902 -0.345 1.00 0.32 C ATOM 1114 CD1 LEU A 73 1.033 5.296 1.006 1.00 0.31 C ATOM 1115 CD2 LEU A 73 -0.982 4.545 -0.227 1.00 0.35 C ATOM 0 H LEU A 73 1.753 4.122 -2.398 1.00 0.33 H new ATOM 0 HA LEU A 73 -0.706 5.471 -2.897 1.00 0.33 H new ATOM 0 HB2 LEU A 73 1.707 6.381 -1.304 1.00 0.32 H new ATOM 0 HB3 LEU A 73 0.038 6.866 -1.080 1.00 0.32 H new ATOM 0 HG LEU A 73 1.034 4.029 -0.699 1.00 0.32 H new ATOM 0 HD11 LEU A 73 0.885 4.478 1.711 1.00 0.31 H new ATOM 0 HD12 LEU A 73 2.098 5.511 0.918 1.00 0.31 H new ATOM 0 HD13 LEU A 73 0.512 6.184 1.365 1.00 0.31 H new ATOM 0 HD21 LEU A 73 -1.104 3.741 0.499 1.00 0.35 H new ATOM 0 HD22 LEU A 73 -1.544 5.419 0.102 1.00 0.35 H new ATOM 0 HD23 LEU A 73 -1.356 4.218 -1.197 1.00 0.35 H new ATOM 1127 N GLY A 74 -0.100 7.718 -3.885 1.00 0.37 N ATOM 1128 CA GLY A 74 0.108 8.764 -4.865 1.00 0.41 C ATOM 1129 C GLY A 74 -0.680 8.503 -6.133 1.00 0.43 C ATOM 1130 O GLY A 74 -0.969 9.421 -6.900 1.00 0.49 O ATOM 0 H GLY A 74 -0.945 7.820 -3.323 1.00 0.37 H new ATOM 0 HA2 GLY A 74 -0.189 9.724 -4.442 1.00 0.41 H new ATOM 0 HA3 GLY A 74 1.169 8.835 -5.103 1.00 0.41 H new ATOM 1134 N THR A 75 -1.055 7.245 -6.334 1.00 0.43 N ATOM 1135 CA THR A 75 -1.814 6.842 -7.513 1.00 0.47 C ATOM 1136 C THR A 75 -3.292 6.726 -7.169 1.00 0.43 C ATOM 1137 O THR A 75 -4.121 6.380 -8.011 1.00 0.43 O ATOM 1138 CB THR A 75 -1.329 5.480 -8.050 1.00 0.50 C ATOM 1139 OG1 THR A 75 -1.567 4.462 -7.069 1.00 0.44 O ATOM 1140 CG2 THR A 75 0.154 5.522 -8.390 1.00 0.62 C ATOM 0 H THR A 75 -0.844 6.482 -5.691 1.00 0.43 H new ATOM 0 HA THR A 75 -1.662 7.604 -8.278 1.00 0.47 H new ATOM 0 HB THR A 75 -1.885 5.254 -8.960 1.00 0.50 H new ATOM 0 HG1 THR A 75 -0.752 4.315 -6.545 1.00 0.44 H new ATOM 0 HG21 THR A 75 0.469 4.549 -8.766 1.00 0.62 H new ATOM 0 HG22 THR A 75 0.331 6.280 -9.153 1.00 0.62 H new ATOM 0 HG23 THR A 75 0.726 5.767 -7.495 1.00 0.62 H new ATOM 1148 N ILE A 76 -3.606 7.027 -5.919 1.00 0.44 N ATOM 1149 CA ILE A 76 -4.937 6.820 -5.380 1.00 0.43 C ATOM 1150 C ILE A 76 -5.910 7.877 -5.863 1.00 0.46 C ATOM 1151 O ILE A 76 -5.642 9.075 -5.777 1.00 0.53 O ATOM 1152 CB ILE A 76 -4.899 6.818 -3.843 1.00 0.45 C ATOM 1153 CG1 ILE A 76 -3.975 5.710 -3.354 1.00 0.45 C ATOM 1154 CG2 ILE A 76 -6.298 6.641 -3.261 1.00 0.49 C ATOM 1155 CD1 ILE A 76 -3.288 6.056 -2.066 1.00 0.47 C ATOM 0 H ILE A 76 -2.944 7.422 -5.251 1.00 0.44 H new ATOM 0 HA ILE A 76 -5.284 5.851 -5.738 1.00 0.43 H new ATOM 0 HB ILE A 76 -4.516 7.780 -3.503 1.00 0.45 H new ATOM 0 HG12 ILE A 76 -4.551 4.795 -3.219 1.00 0.45 H new ATOM 0 HG13 ILE A 76 -3.225 5.505 -4.118 1.00 0.45 H new ATOM 0 HG21 ILE A 76 -6.242 6.643 -2.172 1.00 0.49 H new ATOM 0 HG22 ILE A 76 -6.937 7.460 -3.593 1.00 0.49 H new ATOM 0 HG23 ILE A 76 -6.716 5.694 -3.601 1.00 0.49 H new ATOM 0 HD11 ILE A 76 -2.643 5.231 -1.765 1.00 0.47 H new ATOM 0 HD12 ILE A 76 -2.687 6.955 -2.204 1.00 0.47 H new ATOM 0 HD13 ILE A 76 -4.034 6.234 -1.292 1.00 0.47 H new ATOM 1167 N THR A 77 -7.030 7.413 -6.385 1.00 0.45 N ATOM 1168 CA THR A 77 -8.103 8.281 -6.814 1.00 0.50 C ATOM 1169 C THR A 77 -9.435 7.711 -6.352 1.00 0.56 C ATOM 1170 O THR A 77 -9.486 6.571 -5.888 1.00 0.62 O ATOM 1171 CB THR A 77 -8.123 8.434 -8.351 1.00 0.51 C ATOM 1172 OG1 THR A 77 -8.124 7.141 -8.971 1.00 1.48 O ATOM 1173 CG2 THR A 77 -6.925 9.230 -8.831 1.00 1.27 C ATOM 0 H THR A 77 -7.219 6.420 -6.523 1.00 0.45 H new ATOM 0 HA THR A 77 -7.939 9.264 -6.372 1.00 0.50 H new ATOM 0 HB THR A 77 -9.030 8.972 -8.629 1.00 0.51 H new ATOM 0 HG1 THR A 77 -7.643 6.505 -8.402 1.00 1.48 H new ATOM 0 HG21 THR A 77 -6.962 9.324 -9.916 1.00 1.27 H new ATOM 0 HG22 THR A 77 -6.943 10.222 -8.380 1.00 1.27 H new ATOM 0 HG23 THR A 77 -6.008 8.717 -8.542 1.00 1.27 H new ATOM 1181 N PRO A 78 -10.521 8.484 -6.448 1.00 0.65 N ATOM 1182 CA PRO A 78 -11.870 7.963 -6.205 1.00 0.73 C ATOM 1183 C PRO A 78 -12.189 6.776 -7.115 1.00 0.75 C ATOM 1184 O PRO A 78 -13.007 5.915 -6.782 1.00 0.98 O ATOM 1185 CB PRO A 78 -12.776 9.151 -6.535 1.00 0.88 C ATOM 1186 CG PRO A 78 -11.910 10.353 -6.373 1.00 1.04 C ATOM 1187 CD PRO A 78 -10.522 9.925 -6.749 1.00 0.74 C ATOM 0 HA PRO A 78 -11.994 7.592 -5.187 1.00 0.73 H new ATOM 0 HB2 PRO A 78 -13.166 9.080 -7.550 1.00 0.88 H new ATOM 0 HB3 PRO A 78 -13.635 9.190 -5.865 1.00 0.88 H new ATOM 0 HG2 PRO A 78 -12.252 11.168 -7.011 1.00 1.04 H new ATOM 0 HG3 PRO A 78 -11.940 10.718 -5.346 1.00 1.04 H new ATOM 0 HD2 PRO A 78 -10.313 10.117 -7.801 1.00 0.74 H new ATOM 0 HD3 PRO A 78 -9.766 10.457 -6.172 1.00 0.74 H new ATOM 1195 N ASP A 79 -11.523 6.737 -8.261 1.00 0.72 N ATOM 1196 CA ASP A 79 -11.721 5.674 -9.232 1.00 0.80 C ATOM 1197 C ASP A 79 -11.001 4.402 -8.801 1.00 0.73 C ATOM 1198 O ASP A 79 -11.554 3.303 -8.889 1.00 0.85 O ATOM 1199 CB ASP A 79 -11.230 6.115 -10.613 1.00 0.90 C ATOM 1200 CG ASP A 79 -12.008 7.297 -11.155 1.00 1.35 C ATOM 1201 OD1 ASP A 79 -13.154 7.104 -11.610 1.00 1.64 O ATOM 1202 OD2 ASP A 79 -11.464 8.424 -11.149 1.00 2.05 O ATOM 0 H ASP A 79 -10.836 7.437 -8.541 1.00 0.72 H new ATOM 0 HA ASP A 79 -12.789 5.462 -9.288 1.00 0.80 H new ATOM 0 HB2 ASP A 79 -10.173 6.376 -10.553 1.00 0.90 H new ATOM 0 HB3 ASP A 79 -11.313 5.280 -11.308 1.00 0.90 H new ATOM 1207 N GLY A 80 -9.771 4.550 -8.331 1.00 0.60 N ATOM 1208 CA GLY A 80 -9.010 3.406 -7.871 1.00 0.62 C ATOM 1209 C GLY A 80 -7.569 3.761 -7.567 1.00 0.52 C ATOM 1210 O GLY A 80 -7.171 4.921 -7.693 1.00 0.65 O ATOM 0 H GLY A 80 -9.285 5.444 -8.260 1.00 0.60 H new ATOM 0 HA2 GLY A 80 -9.478 2.997 -6.976 1.00 0.62 H new ATOM 0 HA3 GLY A 80 -9.037 2.625 -8.630 1.00 0.62 H new ATOM 1214 N ALA A 81 -6.788 2.772 -7.155 1.00 0.42 N ATOM 1215 CA ALA A 81 -5.377 2.980 -6.861 1.00 0.38 C ATOM 1216 C ALA A 81 -4.532 1.872 -7.468 1.00 0.34 C ATOM 1217 O ALA A 81 -5.054 0.840 -7.897 1.00 0.35 O ATOM 1218 CB ALA A 81 -5.160 3.039 -5.360 1.00 0.50 C ATOM 0 H ALA A 81 -7.109 1.814 -7.016 1.00 0.42 H new ATOM 0 HA ALA A 81 -5.070 3.928 -7.302 1.00 0.38 H new ATOM 0 HB1 ALA A 81 -4.102 3.195 -5.151 1.00 0.50 H new ATOM 0 HB2 ALA A 81 -5.738 3.863 -4.941 1.00 0.50 H new ATOM 0 HB3 ALA A 81 -5.485 2.102 -4.908 1.00 0.50 H new ATOM 1224 N ASP A 82 -3.227 2.096 -7.508 1.00 0.34 N ATOM 1225 CA ASP A 82 -2.294 1.119 -8.057 1.00 0.34 C ATOM 1226 C ASP A 82 -1.744 0.229 -6.951 1.00 0.33 C ATOM 1227 O ASP A 82 -0.844 0.623 -6.207 1.00 0.53 O ATOM 1228 CB ASP A 82 -1.140 1.818 -8.786 1.00 0.45 C ATOM 1229 CG ASP A 82 -1.555 2.438 -10.113 1.00 0.92 C ATOM 1230 OD1 ASP A 82 -2.663 3.010 -10.200 1.00 1.25 O ATOM 1231 OD2 ASP A 82 -0.776 2.346 -11.085 1.00 1.77 O ATOM 0 H ASP A 82 -2.787 2.950 -7.165 1.00 0.34 H new ATOM 0 HA ASP A 82 -2.835 0.501 -8.774 1.00 0.34 H new ATOM 0 HB2 ASP A 82 -0.730 2.596 -8.142 1.00 0.45 H new ATOM 0 HB3 ASP A 82 -0.342 1.097 -8.963 1.00 0.45 H new ATOM 1236 N VAL A 83 -2.295 -0.971 -6.841 1.00 0.34 N ATOM 1237 CA VAL A 83 -1.855 -1.927 -5.834 1.00 0.41 C ATOM 1238 C VAL A 83 -0.807 -2.859 -6.432 1.00 0.40 C ATOM 1239 O VAL A 83 -0.889 -3.220 -7.601 1.00 0.43 O ATOM 1240 CB VAL A 83 -3.041 -2.758 -5.292 1.00 0.54 C ATOM 1241 CG1 VAL A 83 -2.608 -3.643 -4.130 1.00 0.88 C ATOM 1242 CG2 VAL A 83 -4.187 -1.848 -4.872 1.00 0.70 C ATOM 0 H VAL A 83 -3.050 -1.307 -7.439 1.00 0.34 H new ATOM 0 HA VAL A 83 -1.423 -1.369 -5.003 1.00 0.41 H new ATOM 0 HB VAL A 83 -3.390 -3.406 -6.096 1.00 0.54 H new ATOM 0 HG11 VAL A 83 -3.463 -4.215 -3.770 1.00 0.88 H new ATOM 0 HG12 VAL A 83 -1.828 -4.327 -4.465 1.00 0.88 H new ATOM 0 HG13 VAL A 83 -2.222 -3.021 -3.323 1.00 0.88 H new ATOM 0 HG21 VAL A 83 -5.012 -2.452 -4.494 1.00 0.70 H new ATOM 0 HG22 VAL A 83 -3.845 -1.170 -4.090 1.00 0.70 H new ATOM 0 HG23 VAL A 83 -4.526 -1.269 -5.731 1.00 0.70 H new ATOM 1252 N TYR A 84 0.184 -3.232 -5.643 1.00 0.41 N ATOM 1253 CA TYR A 84 1.243 -4.104 -6.120 1.00 0.42 C ATOM 1254 C TYR A 84 1.222 -5.445 -5.408 1.00 0.42 C ATOM 1255 O TYR A 84 1.123 -5.510 -4.182 1.00 0.44 O ATOM 1256 CB TYR A 84 2.609 -3.445 -5.927 1.00 0.48 C ATOM 1257 CG TYR A 84 2.981 -2.471 -7.019 1.00 0.82 C ATOM 1258 CD1 TYR A 84 2.361 -1.233 -7.123 1.00 1.24 C ATOM 1259 CD2 TYR A 84 3.965 -2.792 -7.942 1.00 1.74 C ATOM 1260 CE1 TYR A 84 2.714 -0.343 -8.119 1.00 1.81 C ATOM 1261 CE2 TYR A 84 4.322 -1.911 -8.940 1.00 2.45 C ATOM 1262 CZ TYR A 84 3.694 -0.688 -9.025 1.00 2.31 C ATOM 1263 OH TYR A 84 4.054 0.194 -10.014 1.00 3.09 O ATOM 0 H TYR A 84 0.278 -2.945 -4.669 1.00 0.41 H new ATOM 0 HA TYR A 84 1.070 -4.275 -7.183 1.00 0.42 H new ATOM 0 HB2 TYR A 84 2.617 -2.923 -4.970 1.00 0.48 H new ATOM 0 HB3 TYR A 84 3.371 -4.222 -5.872 1.00 0.48 H new ATOM 0 HD1 TYR A 84 1.592 -0.962 -6.415 1.00 1.24 H new ATOM 0 HD2 TYR A 84 4.460 -3.749 -7.878 1.00 1.74 H new ATOM 0 HE1 TYR A 84 2.225 0.618 -8.187 1.00 1.81 H new ATOM 0 HE2 TYR A 84 5.090 -2.178 -9.651 1.00 2.45 H new ATOM 0 HH TYR A 84 4.759 -0.204 -10.566 1.00 3.09 H new ATOM 1273 N SER A 85 1.305 -6.507 -6.193 1.00 0.43 N ATOM 1274 CA SER A 85 1.455 -7.844 -5.660 1.00 0.45 C ATOM 1275 C SER A 85 2.898 -8.295 -5.847 1.00 0.47 C ATOM 1276 O SER A 85 3.350 -8.515 -6.970 1.00 0.59 O ATOM 1277 CB SER A 85 0.497 -8.812 -6.355 1.00 0.51 C ATOM 1278 OG SER A 85 0.648 -10.136 -5.860 1.00 1.41 O ATOM 0 H SER A 85 1.270 -6.463 -7.211 1.00 0.43 H new ATOM 0 HA SER A 85 1.211 -7.838 -4.598 1.00 0.45 H new ATOM 0 HB2 SER A 85 -0.530 -8.481 -6.204 1.00 0.51 H new ATOM 0 HB3 SER A 85 0.681 -8.800 -7.429 1.00 0.51 H new ATOM 0 HG SER A 85 0.022 -10.731 -6.322 1.00 1.41 H new ATOM 1284 N PHE A 86 3.612 -8.421 -4.742 1.00 0.47 N ATOM 1285 CA PHE A 86 5.034 -8.750 -4.771 1.00 0.54 C ATOM 1286 C PHE A 86 5.248 -10.238 -5.015 1.00 0.57 C ATOM 1287 O PHE A 86 6.325 -10.660 -5.437 1.00 0.70 O ATOM 1288 CB PHE A 86 5.703 -8.337 -3.457 1.00 0.60 C ATOM 1289 CG PHE A 86 5.587 -6.868 -3.156 1.00 1.16 C ATOM 1290 CD1 PHE A 86 6.404 -5.947 -3.794 1.00 1.30 C ATOM 1291 CD2 PHE A 86 4.656 -6.405 -2.238 1.00 2.19 C ATOM 1292 CE1 PHE A 86 6.296 -4.596 -3.521 1.00 2.20 C ATOM 1293 CE2 PHE A 86 4.544 -5.056 -1.961 1.00 3.16 C ATOM 1294 CZ PHE A 86 5.364 -4.151 -2.603 1.00 3.10 C ATOM 0 H PHE A 86 3.230 -8.300 -3.804 1.00 0.47 H new ATOM 0 HA PHE A 86 5.489 -8.198 -5.593 1.00 0.54 H new ATOM 0 HB2 PHE A 86 5.257 -8.903 -2.639 1.00 0.60 H new ATOM 0 HB3 PHE A 86 6.758 -8.609 -3.495 1.00 0.60 H new ATOM 0 HD1 PHE A 86 7.134 -6.289 -4.513 1.00 1.30 H new ATOM 0 HD2 PHE A 86 4.010 -7.108 -1.733 1.00 2.19 H new ATOM 0 HE1 PHE A 86 6.939 -3.889 -4.025 1.00 2.20 H new ATOM 0 HE2 PHE A 86 3.815 -4.710 -1.243 1.00 3.16 H new ATOM 0 HZ PHE A 86 5.278 -3.096 -2.388 1.00 3.10 H new ATOM 1304 N GLN A 87 4.222 -11.033 -4.752 1.00 0.56 N ATOM 1305 CA GLN A 87 4.322 -12.473 -4.943 1.00 0.67 C ATOM 1306 C GLN A 87 4.180 -12.816 -6.419 1.00 0.72 C ATOM 1307 O GLN A 87 4.812 -13.748 -6.918 1.00 0.84 O ATOM 1308 CB GLN A 87 3.251 -13.199 -4.127 1.00 0.75 C ATOM 1309 CG GLN A 87 3.459 -14.705 -4.040 1.00 0.93 C ATOM 1310 CD GLN A 87 4.672 -15.092 -3.213 1.00 1.56 C ATOM 1311 OE1 GLN A 87 5.660 -14.357 -3.140 1.00 2.36 O ATOM 1312 NE2 GLN A 87 4.610 -16.255 -2.589 1.00 2.08 N ATOM 0 H GLN A 87 3.318 -10.710 -4.409 1.00 0.56 H new ATOM 0 HA GLN A 87 5.302 -12.801 -4.596 1.00 0.67 H new ATOM 0 HB2 GLN A 87 3.233 -12.785 -3.119 1.00 0.75 H new ATOM 0 HB3 GLN A 87 2.275 -13.002 -4.570 1.00 0.75 H new ATOM 0 HG2 GLN A 87 2.570 -15.164 -3.607 1.00 0.93 H new ATOM 0 HG3 GLN A 87 3.569 -15.109 -5.046 1.00 0.93 H new ATOM 0 HE21 GLN A 87 3.775 -16.835 -2.674 1.00 2.08 H new ATOM 0 HE22 GLN A 87 5.397 -16.573 -2.023 1.00 2.08 H new ATOM 1321 N GLU A 88 3.352 -12.047 -7.114 1.00 0.68 N ATOM 1322 CA GLU A 88 3.143 -12.241 -8.541 1.00 0.75 C ATOM 1323 C GLU A 88 4.061 -11.324 -9.346 1.00 0.70 C ATOM 1324 O GLU A 88 4.287 -11.537 -10.537 1.00 0.78 O ATOM 1325 CB GLU A 88 1.684 -11.959 -8.903 1.00 0.80 C ATOM 1326 CG GLU A 88 0.688 -12.896 -8.239 1.00 1.08 C ATOM 1327 CD GLU A 88 0.803 -14.319 -8.738 1.00 1.56 C ATOM 1328 OE1 GLU A 88 0.300 -14.610 -9.838 1.00 2.02 O ATOM 1329 OE2 GLU A 88 1.407 -15.153 -8.027 1.00 2.25 O ATOM 0 H GLU A 88 2.813 -11.281 -6.710 1.00 0.68 H new ATOM 0 HA GLU A 88 3.379 -13.277 -8.785 1.00 0.75 H new ATOM 0 HB2 GLU A 88 1.443 -10.933 -8.624 1.00 0.80 H new ATOM 0 HB3 GLU A 88 1.569 -12.031 -9.985 1.00 0.80 H new ATOM 0 HG2 GLU A 88 0.844 -12.880 -7.160 1.00 1.08 H new ATOM 0 HG3 GLU A 88 -0.323 -12.532 -8.420 1.00 1.08 H new ATOM 1336 N GLU A 89 4.591 -10.308 -8.660 1.00 0.62 N ATOM 1337 CA GLU A 89 5.416 -9.268 -9.274 1.00 0.65 C ATOM 1338 C GLU A 89 4.656 -8.543 -10.377 1.00 0.62 C ATOM 1339 O GLU A 89 5.168 -8.332 -11.473 1.00 0.78 O ATOM 1340 CB GLU A 89 6.737 -9.827 -9.799 1.00 0.80 C ATOM 1341 CG GLU A 89 7.717 -10.163 -8.692 1.00 1.48 C ATOM 1342 CD GLU A 89 9.107 -10.453 -9.208 1.00 1.67 C ATOM 1343 OE1 GLU A 89 9.788 -9.513 -9.660 1.00 1.55 O ATOM 1344 OE2 GLU A 89 9.518 -11.633 -9.192 1.00 2.29 O ATOM 0 H GLU A 89 4.458 -10.184 -7.656 1.00 0.62 H new ATOM 0 HA GLU A 89 5.655 -8.545 -8.494 1.00 0.65 H new ATOM 0 HB2 GLU A 89 6.539 -10.724 -10.386 1.00 0.80 H new ATOM 0 HB3 GLU A 89 7.192 -9.100 -10.472 1.00 0.80 H new ATOM 0 HG2 GLU A 89 7.762 -9.332 -7.988 1.00 1.48 H new ATOM 0 HG3 GLU A 89 7.351 -11.029 -8.140 1.00 1.48 H new ATOM 1351 N GLU A 90 3.428 -8.161 -10.065 1.00 0.49 N ATOM 1352 CA GLU A 90 2.596 -7.425 -11.000 1.00 0.53 C ATOM 1353 C GLU A 90 1.740 -6.413 -10.253 1.00 0.45 C ATOM 1354 O GLU A 90 1.357 -6.637 -9.098 1.00 0.44 O ATOM 1355 CB GLU A 90 1.690 -8.376 -11.794 1.00 0.67 C ATOM 1356 CG GLU A 90 0.702 -9.147 -10.932 1.00 1.26 C ATOM 1357 CD GLU A 90 -0.316 -9.924 -11.745 1.00 1.72 C ATOM 1358 OE1 GLU A 90 -0.024 -11.074 -12.126 1.00 2.10 O ATOM 1359 OE2 GLU A 90 -1.420 -9.395 -11.995 1.00 2.05 O ATOM 0 H GLU A 90 2.985 -8.350 -9.166 1.00 0.49 H new ATOM 0 HA GLU A 90 3.251 -6.904 -11.698 1.00 0.53 H new ATOM 0 HB2 GLU A 90 1.138 -7.801 -12.537 1.00 0.67 H new ATOM 0 HB3 GLU A 90 2.313 -9.085 -12.339 1.00 0.67 H new ATOM 0 HG2 GLU A 90 1.250 -9.838 -10.291 1.00 1.26 H new ATOM 0 HG3 GLU A 90 0.179 -8.450 -10.277 1.00 1.26 H new ATOM 1366 N PRO A 91 1.463 -5.270 -10.888 1.00 0.47 N ATOM 1367 CA PRO A 91 0.507 -4.301 -10.377 1.00 0.45 C ATOM 1368 C PRO A 91 -0.908 -4.823 -10.571 1.00 0.44 C ATOM 1369 O PRO A 91 -1.333 -5.094 -11.697 1.00 0.51 O ATOM 1370 CB PRO A 91 0.747 -3.045 -11.231 1.00 0.54 C ATOM 1371 CG PRO A 91 1.985 -3.328 -12.021 1.00 0.64 C ATOM 1372 CD PRO A 91 2.061 -4.822 -12.149 1.00 0.60 C ATOM 0 HA PRO A 91 0.627 -4.102 -9.312 1.00 0.45 H new ATOM 0 HB2 PRO A 91 -0.101 -2.849 -11.887 1.00 0.54 H new ATOM 0 HB3 PRO A 91 0.875 -2.163 -10.604 1.00 0.54 H new ATOM 0 HG2 PRO A 91 1.939 -2.854 -13.002 1.00 0.64 H new ATOM 0 HG3 PRO A 91 2.868 -2.934 -11.518 1.00 0.64 H new ATOM 0 HD2 PRO A 91 1.507 -5.185 -13.014 1.00 0.60 H new ATOM 0 HD3 PRO A 91 3.088 -5.170 -12.259 1.00 0.60 H new ATOM 1380 N VAL A 92 -1.633 -4.972 -9.481 1.00 0.41 N ATOM 1381 CA VAL A 92 -2.938 -5.586 -9.540 1.00 0.44 C ATOM 1382 C VAL A 92 -4.015 -4.638 -9.082 1.00 0.46 C ATOM 1383 O VAL A 92 -3.825 -3.822 -8.182 1.00 0.58 O ATOM 1384 CB VAL A 92 -3.031 -6.876 -8.694 1.00 0.46 C ATOM 1385 CG1 VAL A 92 -2.090 -7.926 -9.228 1.00 0.50 C ATOM 1386 CG2 VAL A 92 -2.728 -6.594 -7.237 1.00 0.46 C ATOM 0 H VAL A 92 -1.340 -4.677 -8.549 1.00 0.41 H new ATOM 0 HA VAL A 92 -3.089 -5.845 -10.588 1.00 0.44 H new ATOM 0 HB VAL A 92 -4.052 -7.251 -8.764 1.00 0.46 H new ATOM 0 HG11 VAL A 92 -2.168 -8.828 -8.621 1.00 0.50 H new ATOM 0 HG12 VAL A 92 -2.353 -8.160 -10.260 1.00 0.50 H new ATOM 0 HG13 VAL A 92 -1.067 -7.551 -9.190 1.00 0.50 H new ATOM 0 HG21 VAL A 92 -2.801 -7.519 -6.665 1.00 0.46 H new ATOM 0 HG22 VAL A 92 -1.720 -6.190 -7.147 1.00 0.46 H new ATOM 0 HG23 VAL A 92 -3.445 -5.870 -6.850 1.00 0.46 H new ATOM 1396 N LEU A 93 -5.141 -4.762 -9.729 1.00 0.56 N ATOM 1397 CA LEU A 93 -6.326 -4.041 -9.340 1.00 0.59 C ATOM 1398 C LEU A 93 -7.024 -4.798 -8.225 1.00 0.56 C ATOM 1399 O LEU A 93 -7.139 -6.024 -8.276 1.00 0.66 O ATOM 1400 CB LEU A 93 -7.269 -3.880 -10.533 1.00 0.67 C ATOM 1401 CG LEU A 93 -8.636 -3.284 -10.196 1.00 0.87 C ATOM 1402 CD1 LEU A 93 -8.501 -1.845 -9.709 1.00 1.32 C ATOM 1403 CD2 LEU A 93 -9.554 -3.362 -11.400 1.00 1.49 C ATOM 0 H LEU A 93 -5.265 -5.366 -10.542 1.00 0.56 H new ATOM 0 HA LEU A 93 -6.044 -3.048 -8.990 1.00 0.59 H new ATOM 0 HB2 LEU A 93 -6.786 -3.246 -11.277 1.00 0.67 H new ATOM 0 HB3 LEU A 93 -7.418 -4.856 -10.994 1.00 0.67 H new ATOM 0 HG LEU A 93 -9.075 -3.868 -9.387 1.00 0.87 H new ATOM 0 HD11 LEU A 93 -9.488 -1.445 -9.476 1.00 1.32 H new ATOM 0 HD12 LEU A 93 -7.879 -1.821 -8.814 1.00 1.32 H new ATOM 0 HD13 LEU A 93 -8.039 -1.239 -10.488 1.00 1.32 H new ATOM 0 HD21 LEU A 93 -10.524 -2.934 -11.146 1.00 1.49 H new ATOM 0 HD22 LEU A 93 -9.117 -2.804 -12.228 1.00 1.49 H new ATOM 0 HD23 LEU A 93 -9.682 -4.404 -11.693 1.00 1.49 H new ATOM 1415 N ASP A 94 -7.449 -4.074 -7.211 1.00 0.57 N ATOM 1416 CA ASP A 94 -8.192 -4.664 -6.115 1.00 0.54 C ATOM 1417 C ASP A 94 -9.670 -4.344 -6.273 1.00 0.53 C ATOM 1418 O ASP A 94 -10.096 -3.211 -6.066 1.00 0.54 O ATOM 1419 CB ASP A 94 -7.666 -4.142 -4.776 1.00 0.56 C ATOM 1420 CG ASP A 94 -8.472 -4.631 -3.587 1.00 0.64 C ATOM 1421 OD1 ASP A 94 -9.156 -5.673 -3.699 1.00 0.85 O ATOM 1422 OD2 ASP A 94 -8.434 -3.963 -2.534 1.00 0.85 O ATOM 0 H ASP A 94 -7.292 -3.070 -7.122 1.00 0.57 H new ATOM 0 HA ASP A 94 -8.061 -5.746 -6.132 1.00 0.54 H new ATOM 0 HB2 ASP A 94 -6.628 -4.451 -4.655 1.00 0.56 H new ATOM 0 HB3 ASP A 94 -7.675 -3.052 -4.789 1.00 0.56 H new ATOM 1427 N PRO A 95 -10.472 -5.337 -6.680 1.00 0.59 N ATOM 1428 CA PRO A 95 -11.922 -5.176 -6.842 1.00 0.66 C ATOM 1429 C PRO A 95 -12.629 -4.951 -5.505 1.00 0.64 C ATOM 1430 O PRO A 95 -13.834 -4.687 -5.458 1.00 0.74 O ATOM 1431 CB PRO A 95 -12.363 -6.508 -7.470 1.00 0.75 C ATOM 1432 CG PRO A 95 -11.106 -7.114 -8.000 1.00 0.77 C ATOM 1433 CD PRO A 95 -10.037 -6.692 -7.041 1.00 0.66 C ATOM 0 HA PRO A 95 -12.173 -4.305 -7.447 1.00 0.66 H new ATOM 0 HB2 PRO A 95 -12.834 -7.157 -6.732 1.00 0.75 H new ATOM 0 HB3 PRO A 95 -13.091 -6.349 -8.265 1.00 0.75 H new ATOM 0 HG2 PRO A 95 -11.183 -8.200 -8.052 1.00 0.77 H new ATOM 0 HG3 PRO A 95 -10.893 -6.761 -9.009 1.00 0.77 H new ATOM 0 HD2 PRO A 95 -9.985 -7.349 -6.173 1.00 0.66 H new ATOM 0 HD3 PRO A 95 -9.050 -6.695 -7.503 1.00 0.66 H new ATOM 1441 N HIS A 96 -11.871 -5.057 -4.420 1.00 0.58 N ATOM 1442 CA HIS A 96 -12.406 -4.845 -3.088 1.00 0.64 C ATOM 1443 C HIS A 96 -11.634 -3.744 -2.375 1.00 0.57 C ATOM 1444 O HIS A 96 -11.465 -3.788 -1.153 1.00 0.58 O ATOM 1445 CB HIS A 96 -12.354 -6.145 -2.268 1.00 0.80 C ATOM 1446 CG HIS A 96 -13.123 -7.284 -2.874 1.00 1.01 C ATOM 1447 ND1 HIS A 96 -14.487 -7.260 -3.053 1.00 1.93 N ATOM 1448 CD2 HIS A 96 -12.708 -8.487 -3.341 1.00 1.18 C ATOM 1449 CE1 HIS A 96 -14.880 -8.394 -3.599 1.00 1.93 C ATOM 1450 NE2 HIS A 96 -13.821 -9.155 -3.785 1.00 1.31 N ATOM 0 H HIS A 96 -10.878 -5.290 -4.441 1.00 0.58 H new ATOM 0 HA HIS A 96 -13.448 -4.538 -3.184 1.00 0.64 H new ATOM 0 HB2 HIS A 96 -11.313 -6.446 -2.150 1.00 0.80 H new ATOM 0 HB3 HIS A 96 -12.744 -5.948 -1.270 1.00 0.80 H new ATOM 0 HD2 HIS A 96 -11.691 -8.851 -3.360 1.00 1.18 H new ATOM 0 HE1 HIS A 96 -15.897 -8.655 -3.851 1.00 1.93 H new ATOM 0 HE2 HIS A 96 -13.827 -10.090 -4.193 1.00 1.31 H new ATOM 1459 N LEU A 97 -11.167 -2.756 -3.145 1.00 0.56 N ATOM 1460 CA LEU A 97 -10.470 -1.602 -2.580 1.00 0.54 C ATOM 1461 C LEU A 97 -11.282 -0.981 -1.463 1.00 0.54 C ATOM 1462 O LEU A 97 -10.782 -0.780 -0.362 1.00 0.55 O ATOM 1463 CB LEU A 97 -10.206 -0.538 -3.651 1.00 0.59 C ATOM 1464 CG LEU A 97 -9.091 -0.845 -4.647 1.00 0.62 C ATOM 1465 CD1 LEU A 97 -9.104 0.180 -5.761 1.00 0.73 C ATOM 1466 CD2 LEU A 97 -7.740 -0.853 -3.953 1.00 0.63 C ATOM 0 H LEU A 97 -11.260 -2.735 -4.161 1.00 0.56 H new ATOM 0 HA LEU A 97 -9.518 -1.959 -2.186 1.00 0.54 H new ATOM 0 HB2 LEU A 97 -11.129 -0.377 -4.209 1.00 0.59 H new ATOM 0 HB3 LEU A 97 -9.969 0.401 -3.150 1.00 0.59 H new ATOM 0 HG LEU A 97 -9.261 -1.835 -5.071 1.00 0.62 H new ATOM 0 HD11 LEU A 97 -8.306 -0.043 -6.470 1.00 0.73 H new ATOM 0 HD12 LEU A 97 -10.065 0.147 -6.274 1.00 0.73 H new ATOM 0 HD13 LEU A 97 -8.950 1.174 -5.342 1.00 0.73 H new ATOM 0 HD21 LEU A 97 -6.959 -1.074 -4.680 1.00 0.63 H new ATOM 0 HD22 LEU A 97 -7.555 0.124 -3.506 1.00 0.63 H new ATOM 0 HD23 LEU A 97 -7.736 -1.615 -3.174 1.00 0.63 H new ATOM 1478 N ALA A 98 -12.550 -0.718 -1.747 1.00 0.58 N ATOM 1479 CA ALA A 98 -13.425 -0.052 -0.791 1.00 0.63 C ATOM 1480 C ALA A 98 -13.478 -0.809 0.531 1.00 0.61 C ATOM 1481 O ALA A 98 -13.520 -0.204 1.593 1.00 0.65 O ATOM 1482 CB ALA A 98 -14.819 0.105 -1.370 1.00 0.74 C ATOM 0 H ALA A 98 -12.997 -0.956 -2.633 1.00 0.58 H new ATOM 0 HA ALA A 98 -13.014 0.938 -0.593 1.00 0.63 H new ATOM 0 HB1 ALA A 98 -15.461 0.604 -0.644 1.00 0.74 H new ATOM 0 HB2 ALA A 98 -14.770 0.701 -2.281 1.00 0.74 H new ATOM 0 HB3 ALA A 98 -15.230 -0.878 -1.602 1.00 0.74 H new ATOM 1488 N LYS A 99 -13.439 -2.133 0.455 1.00 0.60 N ATOM 1489 CA LYS A 99 -13.479 -2.971 1.645 1.00 0.64 C ATOM 1490 C LYS A 99 -12.160 -2.903 2.404 1.00 0.58 C ATOM 1491 O LYS A 99 -12.135 -2.739 3.624 1.00 0.61 O ATOM 1492 CB LYS A 99 -13.756 -4.417 1.247 1.00 0.73 C ATOM 1493 CG LYS A 99 -13.780 -5.383 2.419 1.00 0.89 C ATOM 1494 CD LYS A 99 -13.999 -6.816 1.963 1.00 1.73 C ATOM 1495 CE LYS A 99 -15.428 -7.053 1.501 1.00 2.30 C ATOM 1496 NZ LYS A 99 -16.404 -6.851 2.606 1.00 2.81 N ATOM 0 H LYS A 99 -13.379 -2.651 -0.422 1.00 0.60 H new ATOM 0 HA LYS A 99 -14.275 -2.604 2.293 1.00 0.64 H new ATOM 0 HB2 LYS A 99 -14.714 -4.464 0.730 1.00 0.73 H new ATOM 0 HB3 LYS A 99 -12.995 -4.741 0.537 1.00 0.73 H new ATOM 0 HG2 LYS A 99 -12.839 -5.315 2.966 1.00 0.89 H new ATOM 0 HG3 LYS A 99 -14.572 -5.096 3.111 1.00 0.89 H new ATOM 0 HD2 LYS A 99 -13.312 -7.047 1.149 1.00 1.73 H new ATOM 0 HD3 LYS A 99 -13.765 -7.497 2.781 1.00 1.73 H new ATOM 0 HE2 LYS A 99 -15.662 -6.375 0.680 1.00 2.30 H new ATOM 0 HE3 LYS A 99 -15.522 -8.067 1.113 1.00 2.30 H new ATOM 0 HZ1 LYS A 99 -17.312 -7.289 2.351 1.00 2.81 H new ATOM 0 HZ2 LYS A 99 -16.040 -7.290 3.475 1.00 2.81 H new ATOM 0 HZ3 LYS A 99 -16.543 -5.833 2.765 1.00 2.81 H new ATOM 1510 N HIS A 100 -11.061 -3.008 1.669 1.00 0.55 N ATOM 1511 CA HIS A 100 -9.737 -3.029 2.284 1.00 0.59 C ATOM 1512 C HIS A 100 -9.384 -1.661 2.852 1.00 0.57 C ATOM 1513 O HIS A 100 -8.720 -1.560 3.885 1.00 0.62 O ATOM 1514 CB HIS A 100 -8.674 -3.498 1.281 1.00 0.69 C ATOM 1515 CG HIS A 100 -8.848 -4.931 0.868 1.00 1.73 C ATOM 1516 ND1 HIS A 100 -8.855 -5.345 -0.443 1.00 2.69 N ATOM 1517 CD2 HIS A 100 -9.028 -6.050 1.610 1.00 2.45 C ATOM 1518 CE1 HIS A 100 -9.036 -6.649 -0.495 1.00 3.49 C ATOM 1519 NE2 HIS A 100 -9.145 -7.104 0.738 1.00 3.34 N ATOM 0 H HIS A 100 -11.058 -3.080 0.652 1.00 0.55 H new ATOM 0 HA HIS A 100 -9.758 -3.742 3.108 1.00 0.59 H new ATOM 0 HB2 HIS A 100 -8.713 -2.863 0.396 1.00 0.69 H new ATOM 0 HB3 HIS A 100 -7.685 -3.370 1.722 1.00 0.69 H new ATOM 0 HD1 HIS A 100 -8.738 -4.735 -1.252 1.00 2.69 H new ATOM 0 HD2 HIS A 100 -9.071 -6.103 2.688 1.00 2.45 H new ATOM 0 HE1 HIS A 100 -9.087 -7.244 -1.395 1.00 3.49 H new ATOM 1528 N LEU A 101 -9.852 -0.616 2.184 1.00 0.58 N ATOM 1529 CA LEU A 101 -9.622 0.747 2.630 1.00 0.66 C ATOM 1530 C LEU A 101 -10.543 1.090 3.786 1.00 0.68 C ATOM 1531 O LEU A 101 -10.165 1.826 4.688 1.00 0.76 O ATOM 1532 CB LEU A 101 -9.844 1.721 1.474 1.00 0.70 C ATOM 1533 CG LEU A 101 -9.022 1.424 0.226 1.00 0.72 C ATOM 1534 CD1 LEU A 101 -9.279 2.468 -0.845 1.00 0.81 C ATOM 1535 CD2 LEU A 101 -7.538 1.345 0.561 1.00 0.79 C ATOM 0 H LEU A 101 -10.397 -0.690 1.325 1.00 0.58 H new ATOM 0 HA LEU A 101 -8.590 0.832 2.972 1.00 0.66 H new ATOM 0 HB2 LEU A 101 -10.901 1.713 1.207 1.00 0.70 H new ATOM 0 HB3 LEU A 101 -9.610 2.729 1.816 1.00 0.70 H new ATOM 0 HG LEU A 101 -9.332 0.454 -0.163 1.00 0.72 H new ATOM 0 HD11 LEU A 101 -8.683 2.238 -1.728 1.00 0.81 H new ATOM 0 HD12 LEU A 101 -10.336 2.465 -1.110 1.00 0.81 H new ATOM 0 HD13 LEU A 101 -9.003 3.452 -0.467 1.00 0.81 H new ATOM 0 HD21 LEU A 101 -6.971 1.132 -0.345 1.00 0.79 H new ATOM 0 HD22 LEU A 101 -7.208 2.296 0.980 1.00 0.79 H new ATOM 0 HD23 LEU A 101 -7.371 0.551 1.288 1.00 0.79 H new ATOM 1547 N ALA A 102 -11.750 0.546 3.756 1.00 0.68 N ATOM 1548 CA ALA A 102 -12.713 0.756 4.837 1.00 0.78 C ATOM 1549 C ALA A 102 -12.179 0.211 6.155 1.00 0.76 C ATOM 1550 O ALA A 102 -12.270 0.869 7.193 1.00 0.85 O ATOM 1551 CB ALA A 102 -14.051 0.112 4.509 1.00 0.88 C ATOM 0 H ALA A 102 -12.090 -0.045 2.997 1.00 0.68 H new ATOM 0 HA ALA A 102 -12.863 1.831 4.941 1.00 0.78 H new ATOM 0 HB1 ALA A 102 -14.748 0.283 5.329 1.00 0.88 H new ATOM 0 HB2 ALA A 102 -14.451 0.550 3.595 1.00 0.88 H new ATOM 0 HB3 ALA A 102 -13.914 -0.960 4.367 1.00 0.88 H new ATOM 1557 N HIS A 103 -11.592 -0.979 6.097 1.00 0.72 N ATOM 1558 CA HIS A 103 -10.967 -1.597 7.265 1.00 0.79 C ATOM 1559 C HIS A 103 -9.788 -0.744 7.743 1.00 0.88 C ATOM 1560 O HIS A 103 -9.294 -0.898 8.859 1.00 1.02 O ATOM 1561 CB HIS A 103 -10.496 -3.013 6.901 1.00 0.86 C ATOM 1562 CG HIS A 103 -10.055 -3.857 8.062 1.00 1.10 C ATOM 1563 ND1 HIS A 103 -10.838 -4.848 8.606 1.00 1.75 N ATOM 1564 CD2 HIS A 103 -8.890 -3.879 8.756 1.00 1.50 C ATOM 1565 CE1 HIS A 103 -10.180 -5.441 9.583 1.00 1.77 C ATOM 1566 NE2 HIS A 103 -8.995 -4.873 9.694 1.00 1.52 N ATOM 0 H HIS A 103 -11.535 -1.540 5.247 1.00 0.72 H new ATOM 0 HA HIS A 103 -11.693 -1.662 8.075 1.00 0.79 H new ATOM 0 HB2 HIS A 103 -11.307 -3.527 6.386 1.00 0.86 H new ATOM 0 HB3 HIS A 103 -9.669 -2.934 6.195 1.00 0.86 H new ATOM 0 HD2 HIS A 103 -8.038 -3.234 8.599 1.00 1.50 H new ATOM 0 HE1 HIS A 103 -10.549 -6.255 10.190 1.00 1.77 H new ATOM 0 HE2 HIS A 103 -8.274 -5.131 10.368 1.00 1.52 H new ATOM 1575 N PHE A 104 -9.363 0.173 6.887 1.00 0.86 N ATOM 1576 CA PHE A 104 -8.225 1.029 7.172 1.00 1.03 C ATOM 1577 C PHE A 104 -8.670 2.443 7.534 1.00 1.11 C ATOM 1578 O PHE A 104 -7.871 3.242 8.014 1.00 1.29 O ATOM 1579 CB PHE A 104 -7.292 1.064 5.958 1.00 1.06 C ATOM 1580 CG PHE A 104 -6.324 -0.085 5.896 1.00 1.10 C ATOM 1581 CD1 PHE A 104 -6.141 -0.914 6.992 1.00 1.34 C ATOM 1582 CD2 PHE A 104 -5.595 -0.336 4.744 1.00 1.24 C ATOM 1583 CE1 PHE A 104 -5.252 -1.971 6.938 1.00 1.40 C ATOM 1584 CE2 PHE A 104 -4.706 -1.391 4.684 1.00 1.35 C ATOM 1585 CZ PHE A 104 -4.531 -2.208 5.781 1.00 1.30 C ATOM 0 H PHE A 104 -9.796 0.343 5.979 1.00 0.86 H new ATOM 0 HA PHE A 104 -7.693 0.618 8.030 1.00 1.03 H new ATOM 0 HB2 PHE A 104 -7.895 1.067 5.050 1.00 1.06 H new ATOM 0 HB3 PHE A 104 -6.731 1.998 5.971 1.00 1.06 H new ATOM 0 HD1 PHE A 104 -6.699 -0.732 7.898 1.00 1.34 H new ATOM 0 HD2 PHE A 104 -5.724 0.302 3.882 1.00 1.24 H new ATOM 0 HE1 PHE A 104 -5.120 -2.611 7.798 1.00 1.40 H new ATOM 0 HE2 PHE A 104 -4.148 -1.576 3.778 1.00 1.35 H new ATOM 0 HZ PHE A 104 -3.833 -3.031 5.737 1.00 1.30 H new ATOM 1595 N GLY A 105 -9.948 2.738 7.309 1.00 1.03 N ATOM 1596 CA GLY A 105 -10.461 4.073 7.569 1.00 1.17 C ATOM 1597 C GLY A 105 -10.154 5.031 6.435 1.00 1.18 C ATOM 1598 O GLY A 105 -10.275 6.249 6.581 1.00 1.35 O ATOM 0 H GLY A 105 -10.637 2.077 6.951 1.00 1.03 H new ATOM 0 HA2 GLY A 105 -11.539 4.024 7.720 1.00 1.17 H new ATOM 0 HA3 GLY A 105 -10.027 4.454 8.493 1.00 1.17 H new ATOM 1602 N ILE A 106 -9.766 4.468 5.301 1.00 1.03 N ATOM 1603 CA ILE A 106 -9.366 5.240 4.140 1.00 1.04 C ATOM 1604 C ILE A 106 -10.560 5.554 3.244 1.00 0.98 C ATOM 1605 O ILE A 106 -11.381 4.684 2.955 1.00 0.96 O ATOM 1606 CB ILE A 106 -8.309 4.477 3.325 1.00 0.98 C ATOM 1607 CG1 ILE A 106 -7.090 4.189 4.190 1.00 1.16 C ATOM 1608 CG2 ILE A 106 -7.918 5.265 2.085 1.00 0.98 C ATOM 1609 CD1 ILE A 106 -6.053 3.345 3.490 1.00 1.22 C ATOM 0 H ILE A 106 -9.720 3.459 5.162 1.00 1.03 H new ATOM 0 HA ILE A 106 -8.943 6.177 4.501 1.00 1.04 H new ATOM 0 HB ILE A 106 -8.735 3.528 3.000 1.00 0.98 H new ATOM 0 HG12 ILE A 106 -6.637 5.132 4.494 1.00 1.16 H new ATOM 0 HG13 ILE A 106 -7.409 3.681 5.100 1.00 1.16 H new ATOM 0 HG21 ILE A 106 -7.169 4.709 1.521 1.00 0.98 H new ATOM 0 HG22 ILE A 106 -8.798 5.423 1.462 1.00 0.98 H new ATOM 0 HG23 ILE A 106 -7.506 6.230 2.382 1.00 0.98 H new ATOM 0 HD11 ILE A 106 -5.210 3.175 4.159 1.00 1.22 H new ATOM 0 HD12 ILE A 106 -6.492 2.388 3.210 1.00 1.22 H new ATOM 0 HD13 ILE A 106 -5.707 3.862 2.595 1.00 1.22 H new ATOM 1621 N ASP A 107 -10.643 6.804 2.809 1.00 1.09 N ATOM 1622 CA ASP A 107 -11.695 7.238 1.900 1.00 1.17 C ATOM 1623 C ASP A 107 -11.107 7.763 0.601 1.00 1.10 C ATOM 1624 O ASP A 107 -10.264 8.660 0.607 1.00 1.21 O ATOM 1625 CB ASP A 107 -12.532 8.339 2.529 1.00 1.52 C ATOM 1626 CG ASP A 107 -13.423 9.014 1.510 1.00 1.93 C ATOM 1627 OD1 ASP A 107 -14.454 8.436 1.127 1.00 2.60 O ATOM 1628 OD2 ASP A 107 -13.076 10.128 1.070 1.00 2.14 O ATOM 0 H ASP A 107 -9.989 7.540 3.074 1.00 1.09 H new ATOM 0 HA ASP A 107 -12.322 6.371 1.694 1.00 1.17 H new ATOM 0 HB2 ASP A 107 -13.144 7.920 3.327 1.00 1.52 H new ATOM 0 HB3 ASP A 107 -11.876 9.079 2.986 1.00 1.52 H new ATOM 1633 N MET A 108 -11.544 7.188 -0.503 1.00 0.98 N ATOM 1634 CA MET A 108 -11.124 7.633 -1.819 1.00 0.94 C ATOM 1635 C MET A 108 -11.884 8.873 -2.271 1.00 1.07 C ATOM 1636 O MET A 108 -11.320 9.801 -2.853 1.00 1.20 O ATOM 1637 CB MET A 108 -11.376 6.528 -2.840 1.00 0.87 C ATOM 1638 CG MET A 108 -10.688 5.224 -2.508 1.00 0.96 C ATOM 1639 SD MET A 108 -10.909 3.975 -3.794 1.00 1.72 S ATOM 1640 CE MET A 108 -12.691 3.791 -3.782 1.00 2.07 C ATOM 0 H MET A 108 -12.196 6.404 -0.514 1.00 0.98 H new ATOM 0 HA MET A 108 -10.063 7.874 -1.753 1.00 0.94 H new ATOM 0 HB2 MET A 108 -12.449 6.353 -2.915 1.00 0.87 H new ATOM 0 HB3 MET A 108 -11.039 6.867 -3.820 1.00 0.87 H new ATOM 0 HG2 MET A 108 -9.623 5.406 -2.363 1.00 0.96 H new ATOM 0 HG3 MET A 108 -11.078 4.842 -1.565 1.00 0.96 H new ATOM 0 HE1 MET A 108 -12.964 2.864 -4.286 1.00 2.07 H new ATOM 0 HE2 MET A 108 -13.047 3.762 -2.752 1.00 2.07 H new ATOM 0 HE3 MET A 108 -13.147 4.634 -4.300 1.00 2.07 H new ATOM 1650 N LEU A 109 -13.170 8.870 -1.987 1.00 1.17 N ATOM 1651 CA LEU A 109 -14.119 9.731 -2.683 1.00 1.40 C ATOM 1652 C LEU A 109 -13.997 11.215 -2.340 1.00 1.71 C ATOM 1653 O LEU A 109 -14.380 12.055 -3.148 1.00 2.17 O ATOM 1654 CB LEU A 109 -15.540 9.232 -2.437 1.00 1.57 C ATOM 1655 CG LEU A 109 -15.801 7.811 -2.941 1.00 1.50 C ATOM 1656 CD1 LEU A 109 -17.269 7.456 -2.798 1.00 1.89 C ATOM 1657 CD2 LEU A 109 -15.348 7.665 -4.384 1.00 1.30 C ATOM 0 H LEU A 109 -13.591 8.276 -1.272 1.00 1.17 H new ATOM 0 HA LEU A 109 -13.873 9.665 -3.743 1.00 1.40 H new ATOM 0 HB2 LEU A 109 -15.746 9.270 -1.367 1.00 1.57 H new ATOM 0 HB3 LEU A 109 -16.241 9.912 -2.921 1.00 1.57 H new ATOM 0 HG LEU A 109 -15.223 7.117 -2.331 1.00 1.50 H new ATOM 0 HD11 LEU A 109 -17.435 6.442 -3.162 1.00 1.89 H new ATOM 0 HD12 LEU A 109 -17.558 7.517 -1.749 1.00 1.89 H new ATOM 0 HD13 LEU A 109 -17.870 8.154 -3.381 1.00 1.89 H new ATOM 0 HD21 LEU A 109 -15.542 6.648 -4.725 1.00 1.30 H new ATOM 0 HD22 LEU A 109 -15.897 8.368 -5.010 1.00 1.30 H new ATOM 0 HD23 LEU A 109 -14.280 7.874 -4.453 1.00 1.30 H new ATOM 1669 N HIS A 110 -13.453 11.559 -1.176 1.00 1.70 N ATOM 1670 CA HIS A 110 -13.326 12.973 -0.798 1.00 2.08 C ATOM 1671 C HIS A 110 -12.405 13.728 -1.758 1.00 2.42 C ATOM 1672 O HIS A 110 -12.365 14.959 -1.749 1.00 2.88 O ATOM 1673 CB HIS A 110 -12.826 13.135 0.648 1.00 2.46 C ATOM 1674 CG HIS A 110 -11.362 12.859 0.851 1.00 2.88 C ATOM 1675 ND1 HIS A 110 -10.846 11.590 0.967 1.00 3.40 N ATOM 1676 CD2 HIS A 110 -10.307 13.703 0.972 1.00 3.25 C ATOM 1677 CE1 HIS A 110 -9.541 11.661 1.148 1.00 3.81 C ATOM 1678 NE2 HIS A 110 -9.187 12.931 1.156 1.00 3.69 N ATOM 0 H HIS A 110 -13.098 10.897 -0.486 1.00 1.70 H new ATOM 0 HA HIS A 110 -14.325 13.405 -0.863 1.00 2.08 H new ATOM 0 HB2 HIS A 110 -13.037 14.152 0.977 1.00 2.46 H new ATOM 0 HB3 HIS A 110 -13.399 12.467 1.291 1.00 2.46 H new ATOM 0 HD1 HIS A 110 -11.388 10.727 0.920 1.00 3.40 H new ATOM 0 HD2 HIS A 110 -10.342 14.782 0.931 1.00 3.25 H new ATOM 0 HE1 HIS A 110 -8.875 10.820 1.269 1.00 3.81 H new ATOM 1687 N MET A 111 -11.669 12.991 -2.585 1.00 2.65 N ATOM 1688 CA MET A 111 -10.755 13.603 -3.542 1.00 3.48 C ATOM 1689 C MET A 111 -11.501 14.075 -4.788 1.00 3.63 C ATOM 1690 O MET A 111 -10.936 14.763 -5.634 1.00 4.24 O ATOM 1691 CB MET A 111 -9.647 12.621 -3.935 1.00 4.22 C ATOM 1692 CG MET A 111 -8.790 12.166 -2.764 1.00 4.76 C ATOM 1693 SD MET A 111 -8.008 13.538 -1.889 1.00 5.56 S ATOM 1694 CE MET A 111 -6.943 14.203 -3.168 1.00 6.12 C ATOM 0 H MET A 111 -11.688 11.972 -2.611 1.00 2.65 H new ATOM 0 HA MET A 111 -10.302 14.471 -3.062 1.00 3.48 H new ATOM 0 HB2 MET A 111 -10.098 11.747 -4.405 1.00 4.22 H new ATOM 0 HB3 MET A 111 -9.006 13.090 -4.682 1.00 4.22 H new ATOM 0 HG2 MET A 111 -9.408 11.602 -2.066 1.00 4.76 H new ATOM 0 HG3 MET A 111 -8.019 11.487 -3.127 1.00 4.76 H new ATOM 0 HE1 MET A 111 -6.220 14.886 -2.721 1.00 6.12 H new ATOM 0 HE2 MET A 111 -6.414 13.388 -3.662 1.00 6.12 H new ATOM 0 HE3 MET A 111 -7.546 14.741 -3.900 1.00 6.12 H new ATOM 1704 N HIS A 112 -12.769 13.691 -4.899 1.00 3.37 N ATOM 1705 CA HIS A 112 -13.619 14.115 -6.009 1.00 3.76 C ATOM 1706 C HIS A 112 -15.088 13.917 -5.662 1.00 3.53 C ATOM 1707 O HIS A 112 -15.815 14.881 -5.440 1.00 4.16 O ATOM 1708 CB HIS A 112 -13.293 13.352 -7.300 1.00 4.50 C ATOM 1709 CG HIS A 112 -12.585 14.174 -8.338 1.00 5.27 C ATOM 1710 ND1 HIS A 112 -13.242 14.992 -9.231 1.00 5.75 N ATOM 1711 CD2 HIS A 112 -11.269 14.289 -8.629 1.00 6.01 C ATOM 1712 CE1 HIS A 112 -12.361 15.573 -10.023 1.00 6.61 C ATOM 1713 NE2 HIS A 112 -11.154 15.163 -9.681 1.00 6.78 N ATOM 0 H HIS A 112 -13.235 13.081 -4.227 1.00 3.37 H new ATOM 0 HA HIS A 112 -13.422 15.174 -6.178 1.00 3.76 H new ATOM 0 HB2 HIS A 112 -12.675 12.489 -7.053 1.00 4.50 H new ATOM 0 HB3 HIS A 112 -14.220 12.969 -7.726 1.00 4.50 H new ATOM 0 HD1 HIS A 112 -14.252 15.127 -9.273 1.00 5.75 H new ATOM 0 HD2 HIS A 112 -10.457 13.785 -8.126 1.00 6.01 H new ATOM 0 HE1 HIS A 112 -12.589 16.268 -10.818 1.00 6.61 H new ATOM 1722 N GLY A 113 -15.522 12.656 -5.622 1.00 2.99 N ATOM 1723 CA GLY A 113 -16.913 12.351 -5.327 1.00 3.33 C ATOM 1724 C GLY A 113 -17.812 12.582 -6.524 1.00 3.80 C ATOM 1725 O GLY A 113 -19.009 12.307 -6.481 1.00 4.08 O ATOM 0 H GLY A 113 -14.933 11.840 -5.789 1.00 2.99 H new ATOM 0 HA2 GLY A 113 -16.996 11.312 -5.007 1.00 3.33 H new ATOM 0 HA3 GLY A 113 -17.251 12.969 -4.495 1.00 3.33 H new ATOM 1729 N THR A 114 -17.222 13.089 -7.591 1.00 4.30 N ATOM 1730 CA THR A 114 -17.950 13.413 -8.796 1.00 5.21 C ATOM 1731 C THR A 114 -17.955 12.232 -9.754 1.00 5.66 C ATOM 1732 O THR A 114 -19.041 11.669 -9.994 1.00 6.13 O ATOM 1733 CB THR A 114 -17.329 14.641 -9.479 1.00 5.98 C ATOM 1734 OG1 THR A 114 -15.913 14.443 -9.625 1.00 6.34 O ATOM 1735 CG2 THR A 114 -17.593 15.899 -8.665 1.00 6.29 C ATOM 1736 OXT THR A 114 -16.867 11.850 -10.235 1.00 5.90 O ATOM 0 H THR A 114 -16.223 13.287 -7.643 1.00 4.30 H new ATOM 0 HA THR A 114 -18.980 13.642 -8.522 1.00 5.21 H new ATOM 0 HB THR A 114 -17.785 14.764 -10.461 1.00 5.98 H new ATOM 0 HG1 THR A 114 -15.736 13.509 -9.862 1.00 6.34 H new ATOM 0 HG21 THR A 114 -17.145 16.757 -9.166 1.00 6.29 H new ATOM 0 HG22 THR A 114 -18.668 16.053 -8.572 1.00 6.29 H new ATOM 0 HG23 THR A 114 -17.155 15.789 -7.673 1.00 6.29 H new TER 1744 THR A 114 HETATM 1745 ZN ZN A 124 10.764 5.605 3.570 1.00 0.64 ZN