USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 755 hydrogens (62 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 ASN : amide:sc= -0.288 K(o=1,f=-15!) USER MOD Set 1.2: A 62 LYS NZ :NH3+ -118:sc= 1.3 (180deg=-5.04!) USER MOD Set 2.1: A 29 SER OG : rot -13:sc= 0.493 USER MOD Set 2.2: A 30 HIS : no HE2:sc= 0.0255 K(o=0.52,f=-12!) USER MOD Set 3.1: A 28 TYR OH : rot -176:sc= 1.28 USER MOD Set 3.2: A 32 LYS NZ :NH3+ 147:sc= 0.815 (180deg=-2.94!) USER MOD Set 3.3: A 87 COA O2B : rot -134:sc= 1.16 USER MOD Set 4.1: A 1 SER OG : rot 150:sc= -0.142 USER MOD Set 4.2: A 70 MET CE :methyl -157:sc= -0.0538 (180deg=-0.0125) USER MOD Set 5.1: A 1 SER N :NH3+ 167:sc= 0.826 (180deg=-0.171) USER MOD Set 5.2: A 2 GLN : amide:sc= -7.06! C(o=-6.2!,f=-9.1!) USER MOD Single : A 7 LYS NZ :NH3+ -151:sc= 1.1 (180deg=-1.21) USER MOD Single : A 13 LYS NZ :NH3+ -136:sc= -5.07! (180deg=-6.11!) USER MOD Single : A 14 HIS : no HE2:sc= -1.25! C(o=-1.3!,f=-5.9!) USER MOD Single : A 16 LYS NZ :NH3+ -138:sc= -0.695! (180deg=-2.31!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -145:sc= 0.345 (180deg=-2.53!) USER MOD Single : A 24 MET CE :methyl -117:sc= -11.4! (180deg=-14.5!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.563 K(o=-0.56,f=-2.8) USER MOD Single : A 35 THR OG1 : rot -90:sc= 0.944 USER MOD Single : A 40 ASN : amide:sc= 0.613 K(o=0.61,f=0) USER MOD Single : A 41 THR OG1 : rot 111:sc= 0.89 USER MOD Single : A 46 MET CE :methyl 143:sc= -1.64 (180deg=-5.34!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -113:sc= 0.963 (180deg=-2.81!) USER MOD Single : A 54 LYS NZ :NH3+ 136:sc= -23.5! (180deg=-26!) USER MOD Single : A 64 THR OG1 : rot 49:sc= 1.22 USER MOD Single : A 65 SER OG : rot -148:sc= 0.431 USER MOD Single : A 66 LYS NZ :NH3+ -147:sc= 1.87 (180deg=0.613) USER MOD Single : A 71 LYS NZ :NH3+ -144:sc= 0.63 (180deg=-0.871) USER MOD Single : A 73 TYR OH : rot 25:sc= -2.59! USER MOD Single : A 76 LYS NZ :NH3+ 137:sc= -0.893! (180deg=-2.92!) USER MOD Single : A 81 LYS NZ :NH3+ 162:sc= -1.91! (180deg=-2.51!) USER MOD Single : A 82 LYS NZ :NH3+ -124:sc= 0.442! (180deg=-2.91!) USER MOD Single : A 83 LYS NZ :NH3+ -120:sc= -0.413 (180deg=-5.23!) USER MOD Single : A 84 TYR OH : rot 171:sc= 1.9 USER MOD Single : A 87 COA OAP : rot 50:sc= 0.0335 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.735 -1.168 -6.663 1.00 2.92 N ATOM 2 CA SER A 1 1.436 0.156 -6.580 1.00 2.48 C ATOM 3 C SER A 1 0.997 0.711 -5.284 1.00 1.93 C ATOM 4 O SER A 1 -0.111 0.469 -4.857 1.00 2.43 O ATOM 5 CB SER A 1 1.009 1.149 -7.691 1.00 2.57 C ATOM 6 OG SER A 1 1.814 2.285 -7.402 1.00 1.33 O ATOM 0 H1 SER A 1 0.805 -1.538 -7.633 1.00 2.92 H new ATOM 0 H2 SER A 1 1.180 -1.838 -6.004 1.00 2.92 H new ATOM 0 H3 SER A 1 -0.267 -1.047 -6.410 1.00 2.92 H new ATOM 0 HA SER A 1 2.512 0.017 -6.689 1.00 2.48 H new ATOM 0 HB2 SER A 1 1.205 0.754 -8.688 1.00 2.57 H new ATOM 0 HB3 SER A 1 -0.055 1.381 -7.643 1.00 2.57 H new ATOM 0 HG SER A 1 2.010 2.767 -8.233 1.00 1.33 H new ATOM 14 N GLN A 2 1.902 1.441 -4.715 1.00 1.01 N ATOM 15 CA GLN A 2 1.678 2.073 -3.400 1.00 0.28 C ATOM 16 C GLN A 2 3.075 2.486 -2.943 1.00 0.30 C ATOM 17 O GLN A 2 4.085 1.977 -3.404 1.00 0.73 O ATOM 18 CB GLN A 2 1.085 1.012 -2.419 1.00 0.82 C ATOM 19 CG GLN A 2 2.104 -0.209 -2.249 1.00 1.26 C ATOM 20 CD GLN A 2 2.757 -0.820 -3.543 1.00 0.97 C ATOM 21 OE1 GLN A 2 2.152 -1.505 -4.353 1.00 1.15 O ATOM 22 NE2 GLN A 2 4.015 -0.591 -3.799 1.00 0.62 N ATOM 0 H GLN A 2 2.818 1.631 -5.122 1.00 1.01 H new ATOM 0 HA GLN A 2 0.987 2.915 -3.437 1.00 0.28 H new ATOM 0 HB2 GLN A 2 0.890 1.471 -1.450 1.00 0.82 H new ATOM 0 HB3 GLN A 2 0.130 0.649 -2.798 1.00 0.82 H new ATOM 0 HG2 GLN A 2 2.910 0.119 -1.593 1.00 1.26 H new ATOM 0 HG3 GLN A 2 1.578 -1.011 -1.731 1.00 1.26 H new ATOM 0 HE21 GLN A 2 4.571 -0.025 -3.158 1.00 0.62 H new ATOM 0 HE22 GLN A 2 4.443 -0.978 -4.640 1.00 0.62 H new ATOM 31 N ALA A 3 3.095 3.390 -2.022 1.00 0.10 N ATOM 32 CA ALA A 3 4.373 3.899 -1.465 1.00 0.13 C ATOM 33 C ALA A 3 5.330 2.797 -0.931 1.00 0.19 C ATOM 34 O ALA A 3 6.372 3.130 -0.398 1.00 0.58 O ATOM 35 CB ALA A 3 3.954 4.858 -0.377 1.00 0.26 C ATOM 0 H ALA A 3 2.259 3.812 -1.618 1.00 0.10 H new ATOM 0 HA ALA A 3 4.967 4.372 -2.247 1.00 0.13 H new ATOM 0 HB1 ALA A 3 4.840 5.285 0.093 1.00 0.26 H new ATOM 0 HB2 ALA A 3 3.351 5.657 -0.809 1.00 0.26 H new ATOM 0 HB3 ALA A 3 3.368 4.325 0.372 1.00 0.26 H new ATOM 41 N GLU A 4 5.016 1.530 -1.098 1.00 0.10 N ATOM 42 CA GLU A 4 5.918 0.470 -0.569 1.00 0.12 C ATOM 43 C GLU A 4 7.172 0.326 -1.356 1.00 0.10 C ATOM 44 O GLU A 4 8.204 -0.133 -0.904 1.00 0.22 O ATOM 45 CB GLU A 4 5.092 -0.812 -0.545 1.00 0.27 C ATOM 46 CG GLU A 4 4.168 -0.850 0.725 1.00 0.30 C ATOM 47 CD GLU A 4 3.610 0.529 1.108 1.00 1.33 C ATOM 48 OE1 GLU A 4 4.347 1.182 1.836 1.00 2.21 O ATOM 49 OE2 GLU A 4 2.515 0.823 0.649 1.00 1.88 O ATOM 0 H GLU A 4 4.179 1.193 -1.575 1.00 0.10 H new ATOM 0 HA GLU A 4 6.268 0.729 0.430 1.00 0.12 H new ATOM 0 HB2 GLU A 4 4.483 -0.876 -1.447 1.00 0.27 H new ATOM 0 HB3 GLU A 4 5.754 -1.678 -0.546 1.00 0.27 H new ATOM 0 HG2 GLU A 4 3.338 -1.533 0.542 1.00 0.30 H new ATOM 0 HG3 GLU A 4 4.733 -1.253 1.566 1.00 0.30 H new ATOM 56 N PHE A 5 6.998 0.771 -2.549 1.00 0.11 N ATOM 57 CA PHE A 5 8.080 0.741 -3.520 1.00 0.14 C ATOM 58 C PHE A 5 8.917 2.016 -3.270 1.00 0.17 C ATOM 59 O PHE A 5 10.118 1.951 -3.215 1.00 0.22 O ATOM 60 CB PHE A 5 7.337 0.676 -4.798 1.00 0.16 C ATOM 61 CG PHE A 5 8.371 0.964 -5.842 1.00 0.11 C ATOM 62 CD1 PHE A 5 8.664 2.266 -6.076 1.00 1.28 C ATOM 63 CD2 PHE A 5 9.036 -0.036 -6.508 1.00 1.09 C ATOM 64 CE1 PHE A 5 9.626 2.586 -6.972 1.00 1.30 C ATOM 65 CE2 PHE A 5 10.014 0.266 -7.420 1.00 1.10 C ATOM 66 CZ PHE A 5 10.309 1.590 -7.650 1.00 0.16 C ATOM 0 H PHE A 5 6.123 1.164 -2.895 1.00 0.11 H new ATOM 0 HA PHE A 5 8.799 -0.077 -3.485 1.00 0.14 H new ATOM 0 HB2 PHE A 5 6.885 -0.305 -4.946 1.00 0.16 H new ATOM 0 HB3 PHE A 5 6.529 1.407 -4.826 1.00 0.16 H new ATOM 0 HD1 PHE A 5 8.132 3.045 -5.550 1.00 1.28 H new ATOM 0 HD2 PHE A 5 8.787 -1.068 -6.312 1.00 1.09 H new ATOM 0 HE1 PHE A 5 9.862 3.623 -7.159 1.00 1.30 H new ATOM 0 HE2 PHE A 5 10.540 -0.517 -7.946 1.00 1.10 H new ATOM 0 HZ PHE A 5 11.077 1.854 -8.362 1.00 0.16 H new ATOM 76 N ASP A 6 8.290 3.149 -3.160 1.00 0.18 N ATOM 77 CA ASP A 6 8.999 4.430 -2.895 1.00 0.23 C ATOM 78 C ASP A 6 9.795 4.160 -1.608 1.00 0.25 C ATOM 79 O ASP A 6 10.982 4.398 -1.480 1.00 0.30 O ATOM 80 CB ASP A 6 7.867 5.428 -2.782 1.00 0.25 C ATOM 81 CG ASP A 6 7.101 5.407 -4.099 1.00 0.18 C ATOM 82 OD1 ASP A 6 6.306 4.496 -4.274 1.00 1.06 O ATOM 83 OD2 ASP A 6 7.378 6.306 -4.859 1.00 1.23 O ATOM 0 H ASP A 6 7.278 3.244 -3.246 1.00 0.18 H new ATOM 0 HA ASP A 6 9.708 4.808 -3.631 1.00 0.23 H new ATOM 0 HB2 ASP A 6 7.209 5.169 -1.952 1.00 0.25 H new ATOM 0 HB3 ASP A 6 8.255 6.426 -2.581 1.00 0.25 H new ATOM 88 N LYS A 7 9.039 3.637 -0.691 1.00 0.26 N ATOM 89 CA LYS A 7 9.578 3.263 0.647 1.00 0.37 C ATOM 90 C LYS A 7 10.808 2.429 0.260 1.00 0.33 C ATOM 91 O LYS A 7 11.907 2.794 0.596 1.00 0.31 O ATOM 92 CB LYS A 7 8.473 2.467 1.363 1.00 0.47 C ATOM 93 CG LYS A 7 8.950 1.737 2.635 1.00 0.80 C ATOM 94 CD LYS A 7 7.699 0.989 3.225 1.00 1.69 C ATOM 95 CE LYS A 7 8.112 -0.246 4.034 1.00 2.40 C ATOM 96 NZ LYS A 7 8.738 -1.167 3.051 1.00 3.35 N ATOM 0 H LYS A 7 8.044 3.447 -0.813 1.00 0.26 H new ATOM 0 HA LYS A 7 9.855 4.068 1.328 1.00 0.37 H new ATOM 0 HB2 LYS A 7 7.664 3.147 1.629 1.00 0.47 H new ATOM 0 HB3 LYS A 7 8.059 1.735 0.670 1.00 0.47 H new ATOM 0 HG2 LYS A 7 9.747 1.032 2.400 1.00 0.80 H new ATOM 0 HG3 LYS A 7 9.354 2.445 3.359 1.00 0.80 H new ATOM 0 HD2 LYS A 7 7.134 1.670 3.862 1.00 1.69 H new ATOM 0 HD3 LYS A 7 7.037 0.688 2.413 1.00 1.69 H new ATOM 0 HE2 LYS A 7 8.812 0.019 4.826 1.00 2.40 H new ATOM 0 HE3 LYS A 7 7.249 -0.709 4.513 1.00 2.40 H new ATOM 0 HZ1 LYS A 7 8.601 -2.150 3.361 1.00 3.35 H new ATOM 0 HZ2 LYS A 7 8.296 -1.033 2.119 1.00 3.35 H new ATOM 0 HZ3 LYS A 7 9.756 -0.964 2.984 1.00 3.35 H new ATOM 110 N ALA A 8 10.609 1.344 -0.441 1.00 0.31 N ATOM 111 CA ALA A 8 11.765 0.492 -0.861 1.00 0.29 C ATOM 112 C ALA A 8 12.918 1.379 -1.455 1.00 0.25 C ATOM 113 O ALA A 8 14.035 1.333 -1.006 1.00 0.30 O ATOM 114 CB ALA A 8 11.225 -0.516 -1.873 1.00 0.32 C ATOM 0 H ALA A 8 9.694 1.009 -0.742 1.00 0.31 H new ATOM 0 HA ALA A 8 12.202 -0.036 -0.014 1.00 0.29 H new ATOM 0 HB1 ALA A 8 12.035 -1.163 -2.210 1.00 0.32 H new ATOM 0 HB2 ALA A 8 10.448 -1.121 -1.405 1.00 0.32 H new ATOM 0 HB3 ALA A 8 10.806 0.015 -2.727 1.00 0.32 H new ATOM 120 N ALA A 9 12.651 2.168 -2.456 1.00 0.18 N ATOM 121 CA ALA A 9 13.669 3.055 -3.079 1.00 0.23 C ATOM 122 C ALA A 9 14.468 3.795 -2.013 1.00 0.36 C ATOM 123 O ALA A 9 15.664 3.945 -2.144 1.00 0.64 O ATOM 124 CB ALA A 9 12.924 4.020 -3.999 1.00 0.38 C ATOM 0 H ALA A 9 11.728 2.236 -2.885 1.00 0.18 H new ATOM 0 HA ALA A 9 14.391 2.475 -3.654 1.00 0.23 H new ATOM 0 HB1 ALA A 9 13.638 4.691 -4.477 1.00 0.38 H new ATOM 0 HB2 ALA A 9 12.389 3.455 -4.762 1.00 0.38 H new ATOM 0 HB3 ALA A 9 12.213 4.604 -3.415 1.00 0.38 H new ATOM 130 N GLU A 10 13.800 4.204 -0.978 1.00 0.38 N ATOM 131 CA GLU A 10 14.513 4.939 0.104 1.00 0.45 C ATOM 132 C GLU A 10 15.270 3.869 0.837 1.00 0.55 C ATOM 133 O GLU A 10 16.479 3.909 0.929 1.00 0.64 O ATOM 134 CB GLU A 10 13.429 5.640 0.936 1.00 0.40 C ATOM 135 CG GLU A 10 12.789 6.775 0.080 1.00 0.75 C ATOM 136 CD GLU A 10 13.837 7.835 -0.286 1.00 1.75 C ATOM 137 OE1 GLU A 10 14.552 7.595 -1.243 1.00 2.85 O ATOM 138 OE2 GLU A 10 13.860 8.814 0.433 1.00 1.87 O ATOM 0 H GLU A 10 12.800 4.065 -0.831 1.00 0.38 H new ATOM 0 HA GLU A 10 15.215 5.712 -0.209 1.00 0.45 H new ATOM 0 HB2 GLU A 10 12.667 4.923 1.242 1.00 0.40 H new ATOM 0 HB3 GLU A 10 13.862 6.054 1.847 1.00 0.40 H new ATOM 0 HG2 GLU A 10 12.358 6.353 -0.828 1.00 0.75 H new ATOM 0 HG3 GLU A 10 11.973 7.239 0.634 1.00 0.75 H new ATOM 145 N GLU A 11 14.535 2.921 1.307 1.00 0.56 N ATOM 146 CA GLU A 11 15.049 1.761 2.061 1.00 0.74 C ATOM 147 C GLU A 11 16.421 1.329 1.474 1.00 0.68 C ATOM 148 O GLU A 11 17.451 1.345 2.112 1.00 0.84 O ATOM 149 CB GLU A 11 13.875 0.796 1.907 1.00 0.76 C ATOM 150 CG GLU A 11 12.786 1.069 2.970 1.00 0.95 C ATOM 151 CD GLU A 11 12.471 -0.149 3.823 1.00 1.33 C ATOM 152 OE1 GLU A 11 13.348 -0.547 4.556 1.00 0.78 O ATOM 153 OE2 GLU A 11 11.351 -0.628 3.693 1.00 2.26 O ATOM 0 H GLU A 11 13.522 2.904 1.189 1.00 0.56 H new ATOM 0 HA GLU A 11 15.298 1.893 3.114 1.00 0.74 H new ATOM 0 HB2 GLU A 11 13.447 0.896 0.910 1.00 0.76 H new ATOM 0 HB3 GLU A 11 14.229 -0.230 2.001 1.00 0.76 H new ATOM 0 HG2 GLU A 11 13.113 1.884 3.616 1.00 0.95 H new ATOM 0 HG3 GLU A 11 11.875 1.403 2.472 1.00 0.95 H new ATOM 160 N VAL A 12 16.375 0.956 0.234 1.00 0.49 N ATOM 161 CA VAL A 12 17.495 0.501 -0.597 1.00 0.46 C ATOM 162 C VAL A 12 18.479 1.617 -0.873 1.00 0.48 C ATOM 163 O VAL A 12 19.668 1.388 -0.809 1.00 0.44 O ATOM 164 CB VAL A 12 16.862 -0.044 -1.871 1.00 0.45 C ATOM 165 CG1 VAL A 12 16.914 0.921 -3.035 1.00 0.39 C ATOM 166 CG2 VAL A 12 17.519 -1.299 -2.242 1.00 0.42 C ATOM 0 H VAL A 12 15.496 0.954 -0.283 1.00 0.49 H new ATOM 0 HA VAL A 12 18.083 -0.267 -0.094 1.00 0.46 H new ATOM 0 HB VAL A 12 15.807 -0.207 -1.652 1.00 0.45 H new ATOM 0 HG11 VAL A 12 16.445 0.465 -3.907 1.00 0.39 H new ATOM 0 HG12 VAL A 12 16.382 1.836 -2.773 1.00 0.39 H new ATOM 0 HG13 VAL A 12 17.953 1.159 -3.264 1.00 0.39 H new ATOM 0 HG21 VAL A 12 17.067 -1.691 -3.153 1.00 0.42 H new ATOM 0 HG22 VAL A 12 18.580 -1.118 -2.412 1.00 0.42 H new ATOM 0 HG23 VAL A 12 17.399 -2.024 -1.437 1.00 0.42 H new ATOM 176 N LYS A 13 18.055 2.813 -1.187 1.00 0.47 N ATOM 177 CA LYS A 13 19.087 3.844 -1.435 1.00 0.41 C ATOM 178 C LYS A 13 19.961 4.014 -0.168 1.00 0.35 C ATOM 179 O LYS A 13 21.039 4.574 -0.245 1.00 0.38 O ATOM 180 CB LYS A 13 18.356 5.143 -1.799 1.00 0.41 C ATOM 181 CG LYS A 13 18.050 5.146 -3.304 1.00 0.66 C ATOM 182 CD LYS A 13 17.243 6.430 -3.699 1.00 1.47 C ATOM 183 CE LYS A 13 18.121 7.700 -3.802 1.00 1.09 C ATOM 184 NZ LYS A 13 19.152 7.482 -4.861 1.00 0.62 N ATOM 0 H LYS A 13 17.082 3.107 -1.278 1.00 0.47 H new ATOM 0 HA LYS A 13 19.752 3.561 -2.251 1.00 0.41 H new ATOM 0 HB2 LYS A 13 17.431 5.226 -1.228 1.00 0.41 H new ATOM 0 HB3 LYS A 13 18.970 6.005 -1.539 1.00 0.41 H new ATOM 0 HG2 LYS A 13 18.981 5.106 -3.870 1.00 0.66 H new ATOM 0 HG3 LYS A 13 17.479 4.256 -3.566 1.00 0.66 H new ATOM 0 HD2 LYS A 13 16.749 6.260 -4.656 1.00 1.47 H new ATOM 0 HD3 LYS A 13 16.459 6.598 -2.961 1.00 1.47 H new ATOM 0 HE2 LYS A 13 17.506 8.566 -4.045 1.00 1.09 H new ATOM 0 HE3 LYS A 13 18.600 7.908 -2.845 1.00 1.09 H new ATOM 0 HZ1 LYS A 13 20.075 7.821 -4.522 1.00 0.62 H new ATOM 0 HZ2 LYS A 13 19.215 6.467 -5.081 1.00 0.62 H new ATOM 0 HZ3 LYS A 13 18.885 8.006 -5.719 1.00 0.62 H new ATOM 198 N HIS A 14 19.458 3.503 0.932 1.00 0.38 N ATOM 199 CA HIS A 14 20.204 3.604 2.219 1.00 0.33 C ATOM 200 C HIS A 14 21.118 2.374 2.446 1.00 0.22 C ATOM 201 O HIS A 14 21.661 2.223 3.520 1.00 0.28 O ATOM 202 CB HIS A 14 19.185 3.733 3.404 1.00 0.46 C ATOM 203 CG HIS A 14 18.356 5.026 3.386 1.00 0.67 C ATOM 204 ND1 HIS A 14 17.138 5.156 2.970 1.00 0.83 N ATOM 205 CD2 HIS A 14 18.703 6.298 3.799 1.00 0.75 C ATOM 206 CE1 HIS A 14 16.752 6.389 3.107 1.00 0.99 C ATOM 207 NE2 HIS A 14 17.698 7.133 3.621 1.00 0.95 N ATOM 0 H HIS A 14 18.561 3.020 0.990 1.00 0.38 H new ATOM 0 HA HIS A 14 20.840 4.488 2.175 1.00 0.33 H new ATOM 0 HB2 HIS A 14 18.507 2.880 3.379 1.00 0.46 H new ATOM 0 HB3 HIS A 14 19.732 3.679 4.345 1.00 0.46 H new ATOM 0 HD1 HIS A 14 16.565 4.402 2.591 1.00 0.83 H new ATOM 0 HD2 HIS A 14 19.664 6.571 4.210 1.00 0.75 H new ATOM 0 HE1 HIS A 14 15.774 6.754 2.831 1.00 0.99 H new ATOM 215 N LEU A 15 21.292 1.504 1.473 1.00 0.19 N ATOM 216 CA LEU A 15 22.177 0.326 1.662 1.00 0.34 C ATOM 217 C LEU A 15 23.659 0.750 1.649 1.00 0.60 C ATOM 218 O LEU A 15 24.367 0.504 0.690 1.00 0.84 O ATOM 219 CB LEU A 15 21.917 -0.625 0.541 1.00 0.29 C ATOM 220 CG LEU A 15 20.490 -1.074 0.494 1.00 0.18 C ATOM 221 CD1 LEU A 15 20.352 -1.739 -0.821 1.00 0.26 C ATOM 222 CD2 LEU A 15 20.119 -2.083 1.545 1.00 0.17 C ATOM 0 H LEU A 15 20.852 1.568 0.555 1.00 0.19 H new ATOM 0 HA LEU A 15 21.969 -0.142 2.624 1.00 0.34 H new ATOM 0 HB2 LEU A 15 22.176 -0.148 -0.404 1.00 0.29 H new ATOM 0 HB3 LEU A 15 22.565 -1.495 0.648 1.00 0.29 H new ATOM 0 HG LEU A 15 19.845 -0.211 0.660 1.00 0.18 H new ATOM 0 HD11 LEU A 15 19.331 -2.101 -0.940 1.00 0.26 H new ATOM 0 HD12 LEU A 15 20.580 -1.027 -1.614 1.00 0.26 H new ATOM 0 HD13 LEU A 15 21.044 -2.579 -0.878 1.00 0.26 H new ATOM 0 HD21 LEU A 15 19.068 -2.352 1.437 1.00 0.17 H new ATOM 0 HD22 LEU A 15 20.735 -2.974 1.427 1.00 0.17 H new ATOM 0 HD23 LEU A 15 20.284 -1.656 2.534 1.00 0.17 H new ATOM 234 N LYS A 16 24.029 1.395 2.728 1.00 0.90 N ATOM 235 CA LYS A 16 25.406 1.930 3.024 1.00 1.08 C ATOM 236 C LYS A 16 26.590 1.329 2.244 1.00 1.01 C ATOM 237 O LYS A 16 27.589 1.968 1.993 1.00 1.20 O ATOM 238 CB LYS A 16 25.609 1.759 4.563 1.00 1.25 C ATOM 239 CG LYS A 16 25.392 0.274 5.022 1.00 1.29 C ATOM 240 CD LYS A 16 25.736 0.183 6.540 1.00 1.11 C ATOM 241 CE LYS A 16 25.701 -1.267 7.081 1.00 2.25 C ATOM 242 NZ LYS A 16 24.291 -1.761 7.193 1.00 2.74 N ATOM 0 H LYS A 16 23.372 1.589 3.483 1.00 0.90 H new ATOM 0 HA LYS A 16 25.424 2.965 2.682 1.00 1.08 H new ATOM 0 HB2 LYS A 16 26.615 2.079 4.834 1.00 1.25 H new ATOM 0 HB3 LYS A 16 24.914 2.408 5.095 1.00 1.25 H new ATOM 0 HG2 LYS A 16 24.361 -0.032 4.846 1.00 1.29 H new ATOM 0 HG3 LYS A 16 26.027 -0.399 4.446 1.00 1.29 H new ATOM 0 HD2 LYS A 16 26.727 0.604 6.708 1.00 1.11 H new ATOM 0 HD3 LYS A 16 25.030 0.793 7.104 1.00 1.11 H new ATOM 0 HE2 LYS A 16 26.268 -1.921 6.418 1.00 2.25 H new ATOM 0 HE3 LYS A 16 26.183 -1.307 8.058 1.00 2.25 H new ATOM 0 HZ1 LYS A 16 24.176 -2.284 8.084 1.00 2.74 H new ATOM 0 HZ2 LYS A 16 23.638 -0.952 7.180 1.00 2.74 H new ATOM 0 HZ3 LYS A 16 24.079 -2.390 6.392 1.00 2.74 H new ATOM 256 N THR A 17 26.384 0.097 1.910 1.00 0.73 N ATOM 257 CA THR A 17 27.332 -0.760 1.161 1.00 0.54 C ATOM 258 C THR A 17 26.822 -1.185 -0.232 1.00 0.49 C ATOM 259 O THR A 17 25.948 -2.021 -0.305 1.00 0.61 O ATOM 260 CB THR A 17 27.601 -1.994 2.029 1.00 0.34 C ATOM 261 OG1 THR A 17 28.601 -1.602 2.954 1.00 0.19 O ATOM 262 CG2 THR A 17 28.157 -3.137 1.231 1.00 0.21 C ATOM 0 H THR A 17 25.520 -0.390 2.148 1.00 0.73 H new ATOM 0 HA THR A 17 28.239 -0.187 0.968 1.00 0.54 H new ATOM 0 HB THR A 17 26.670 -2.325 2.490 1.00 0.34 H new ATOM 0 HG1 THR A 17 28.816 -2.356 3.543 1.00 0.19 H new ATOM 0 HG21 THR A 17 28.332 -3.989 1.888 1.00 0.21 H new ATOM 0 HG22 THR A 17 27.446 -3.418 0.454 1.00 0.21 H new ATOM 0 HG23 THR A 17 29.098 -2.835 0.770 1.00 0.21 H new ATOM 270 N LYS A 18 27.348 -0.597 -1.278 1.00 0.48 N ATOM 271 CA LYS A 18 26.984 -0.906 -2.702 1.00 0.41 C ATOM 272 C LYS A 18 26.802 -2.453 -2.811 1.00 0.37 C ATOM 273 O LYS A 18 27.796 -3.147 -2.906 1.00 0.39 O ATOM 274 CB LYS A 18 28.160 -0.346 -3.590 1.00 0.50 C ATOM 275 CG LYS A 18 27.786 -0.429 -5.095 1.00 1.73 C ATOM 276 CD LYS A 18 28.825 -1.237 -5.954 1.00 1.82 C ATOM 277 CE LYS A 18 29.016 -2.653 -5.397 1.00 1.96 C ATOM 278 NZ LYS A 18 29.745 -3.497 -6.385 1.00 2.57 N ATOM 0 H LYS A 18 28.059 0.130 -1.197 1.00 0.48 H new ATOM 0 HA LYS A 18 26.054 -0.448 -3.038 1.00 0.41 H new ATOM 0 HB2 LYS A 18 28.370 0.688 -3.317 1.00 0.50 H new ATOM 0 HB3 LYS A 18 29.070 -0.916 -3.402 1.00 0.50 H new ATOM 0 HG2 LYS A 18 26.805 -0.894 -5.193 1.00 1.73 H new ATOM 0 HG3 LYS A 18 27.701 0.581 -5.497 1.00 1.73 H new ATOM 0 HD2 LYS A 18 28.483 -1.292 -6.988 1.00 1.82 H new ATOM 0 HD3 LYS A 18 29.781 -0.713 -5.962 1.00 1.82 H new ATOM 0 HE2 LYS A 18 29.573 -2.612 -4.461 1.00 1.96 H new ATOM 0 HE3 LYS A 18 28.047 -3.098 -5.172 1.00 1.96 H new ATOM 0 HZ1 LYS A 18 29.388 -4.473 -6.338 1.00 2.57 H new ATOM 0 HZ2 LYS A 18 29.595 -3.119 -7.342 1.00 2.57 H new ATOM 0 HZ3 LYS A 18 30.761 -3.489 -6.165 1.00 2.57 H new ATOM 292 N PRO A 19 25.589 -2.951 -2.786 1.00 0.33 N ATOM 293 CA PRO A 19 25.323 -4.413 -2.877 1.00 0.29 C ATOM 294 C PRO A 19 25.963 -5.146 -4.067 1.00 0.23 C ATOM 295 O PRO A 19 26.520 -4.537 -4.955 1.00 0.21 O ATOM 296 CB PRO A 19 23.797 -4.445 -2.845 1.00 0.28 C ATOM 297 CG PRO A 19 23.449 -3.183 -1.995 1.00 0.32 C ATOM 298 CD PRO A 19 24.337 -2.161 -2.644 1.00 0.32 C ATOM 0 HA PRO A 19 25.794 -4.977 -2.072 1.00 0.29 H new ATOM 0 HB2 PRO A 19 23.369 -4.390 -3.846 1.00 0.28 H new ATOM 0 HB3 PRO A 19 23.420 -5.359 -2.387 1.00 0.28 H new ATOM 0 HG2 PRO A 19 22.394 -2.917 -2.061 1.00 0.32 H new ATOM 0 HG3 PRO A 19 23.678 -3.319 -0.938 1.00 0.32 H new ATOM 0 HD2 PRO A 19 23.948 -1.822 -3.604 1.00 0.32 H new ATOM 0 HD3 PRO A 19 24.473 -1.275 -2.024 1.00 0.32 H new ATOM 306 N ALA A 20 25.891 -6.448 -4.081 1.00 0.21 N ATOM 307 CA ALA A 20 26.499 -7.199 -5.228 1.00 0.14 C ATOM 308 C ALA A 20 25.875 -6.611 -6.517 1.00 0.13 C ATOM 309 O ALA A 20 24.668 -6.517 -6.666 1.00 0.15 O ATOM 310 CB ALA A 20 26.164 -8.673 -5.055 1.00 0.13 C ATOM 0 H ALA A 20 25.447 -7.021 -3.364 1.00 0.21 H new ATOM 0 HA ALA A 20 27.584 -7.106 -5.276 1.00 0.14 H new ATOM 0 HB1 ALA A 20 26.595 -9.243 -5.878 1.00 0.13 H new ATOM 0 HB2 ALA A 20 26.575 -9.031 -4.111 1.00 0.13 H new ATOM 0 HB3 ALA A 20 25.082 -8.802 -5.052 1.00 0.13 H new ATOM 316 N ASP A 21 26.719 -6.213 -7.423 1.00 0.11 N ATOM 317 CA ASP A 21 26.238 -5.616 -8.702 1.00 0.14 C ATOM 318 C ASP A 21 25.018 -6.378 -9.292 1.00 0.18 C ATOM 319 O ASP A 21 24.209 -5.739 -9.922 1.00 0.32 O ATOM 320 CB ASP A 21 27.522 -5.573 -9.582 1.00 0.15 C ATOM 321 CG ASP A 21 28.596 -4.839 -8.751 1.00 0.28 C ATOM 322 OD1 ASP A 21 28.692 -3.625 -8.809 1.00 0.64 O ATOM 323 OD2 ASP A 21 29.307 -5.525 -8.038 1.00 1.16 O ATOM 0 H ASP A 21 27.733 -6.275 -7.334 1.00 0.11 H new ATOM 0 HA ASP A 21 25.818 -4.615 -8.601 1.00 0.14 H new ATOM 0 HB2 ASP A 21 27.851 -6.580 -9.839 1.00 0.15 H new ATOM 0 HB3 ASP A 21 27.333 -5.051 -10.520 1.00 0.15 H new ATOM 328 N GLU A 22 24.888 -7.672 -9.088 1.00 0.20 N ATOM 329 CA GLU A 22 23.727 -8.460 -9.617 1.00 0.24 C ATOM 330 C GLU A 22 22.414 -8.083 -8.850 1.00 0.27 C ATOM 331 O GLU A 22 21.334 -7.929 -9.405 1.00 0.32 O ATOM 332 CB GLU A 22 24.039 -10.000 -9.460 1.00 0.25 C ATOM 333 CG GLU A 22 25.260 -10.434 -10.347 1.00 0.21 C ATOM 334 CD GLU A 22 25.469 -11.974 -10.389 1.00 0.52 C ATOM 335 OE1 GLU A 22 24.585 -12.621 -10.928 1.00 1.66 O ATOM 336 OE2 GLU A 22 26.493 -12.428 -9.892 1.00 0.52 O ATOM 0 H GLU A 22 25.561 -8.229 -8.560 1.00 0.20 H new ATOM 0 HA GLU A 22 23.577 -8.226 -10.671 1.00 0.24 H new ATOM 0 HB2 GLU A 22 24.250 -10.225 -8.414 1.00 0.25 H new ATOM 0 HB3 GLU A 22 23.160 -10.581 -9.740 1.00 0.25 H new ATOM 0 HG2 GLU A 22 25.112 -10.066 -11.362 1.00 0.21 H new ATOM 0 HG3 GLU A 22 26.165 -9.961 -9.965 1.00 0.21 H new ATOM 343 N GLU A 23 22.569 -7.916 -7.566 1.00 0.23 N ATOM 344 CA GLU A 23 21.405 -7.557 -6.695 1.00 0.26 C ATOM 345 C GLU A 23 21.085 -6.101 -7.010 1.00 0.29 C ATOM 346 O GLU A 23 19.928 -5.713 -7.062 1.00 0.36 O ATOM 347 CB GLU A 23 21.799 -7.722 -5.214 1.00 0.21 C ATOM 348 CG GLU A 23 22.343 -9.158 -5.022 1.00 0.32 C ATOM 349 CD GLU A 23 22.746 -9.450 -3.570 1.00 0.79 C ATOM 350 OE1 GLU A 23 23.313 -8.556 -2.961 1.00 1.71 O ATOM 351 OE2 GLU A 23 22.472 -10.559 -3.147 1.00 0.92 O ATOM 0 H GLU A 23 23.458 -8.013 -7.075 1.00 0.23 H new ATOM 0 HA GLU A 23 20.541 -8.196 -6.876 1.00 0.26 H new ATOM 0 HB2 GLU A 23 22.555 -6.988 -4.937 1.00 0.21 H new ATOM 0 HB3 GLU A 23 20.937 -7.551 -4.569 1.00 0.21 H new ATOM 0 HG2 GLU A 23 21.584 -9.875 -5.335 1.00 0.32 H new ATOM 0 HG3 GLU A 23 23.206 -9.305 -5.671 1.00 0.32 H new ATOM 358 N MET A 24 22.144 -5.351 -7.221 1.00 0.25 N ATOM 359 CA MET A 24 22.005 -3.914 -7.547 1.00 0.31 C ATOM 360 C MET A 24 21.281 -3.953 -8.881 1.00 0.36 C ATOM 361 O MET A 24 20.317 -3.261 -9.062 1.00 0.45 O ATOM 362 CB MET A 24 23.391 -3.339 -7.656 1.00 0.25 C ATOM 363 CG MET A 24 24.066 -3.252 -6.315 1.00 0.23 C ATOM 364 SD MET A 24 25.563 -2.251 -6.405 1.00 0.69 S ATOM 365 CE MET A 24 24.770 -0.648 -6.702 1.00 0.36 C ATOM 0 H MET A 24 23.106 -5.688 -7.178 1.00 0.25 H new ATOM 0 HA MET A 24 21.470 -3.303 -6.820 1.00 0.31 H new ATOM 0 HB2 MET A 24 23.990 -3.957 -8.325 1.00 0.25 H new ATOM 0 HB3 MET A 24 23.339 -2.346 -8.102 1.00 0.25 H new ATOM 0 HG2 MET A 24 23.380 -2.821 -5.586 1.00 0.23 H new ATOM 0 HG3 MET A 24 24.315 -4.253 -5.964 1.00 0.23 H new ATOM 0 HE1 MET A 24 25.073 -0.267 -7.677 1.00 0.36 H new ATOM 0 HE2 MET A 24 23.687 -0.768 -6.680 1.00 0.36 H new ATOM 0 HE3 MET A 24 25.073 0.057 -5.928 1.00 0.36 H new ATOM 375 N LEU A 25 21.768 -4.753 -9.786 1.00 0.30 N ATOM 376 CA LEU A 25 21.185 -4.937 -11.132 1.00 0.35 C ATOM 377 C LEU A 25 19.669 -5.144 -11.025 1.00 0.34 C ATOM 378 O LEU A 25 18.889 -4.362 -11.527 1.00 0.39 O ATOM 379 CB LEU A 25 21.849 -6.148 -11.728 1.00 0.33 C ATOM 380 CG LEU A 25 22.978 -5.748 -12.599 1.00 0.34 C ATOM 381 CD1 LEU A 25 23.913 -6.888 -12.787 1.00 0.29 C ATOM 382 CD2 LEU A 25 22.382 -5.358 -13.928 1.00 0.50 C ATOM 0 H LEU A 25 22.601 -5.320 -9.628 1.00 0.30 H new ATOM 0 HA LEU A 25 21.349 -4.061 -11.759 1.00 0.35 H new ATOM 0 HB2 LEU A 25 22.210 -6.800 -10.933 1.00 0.33 H new ATOM 0 HB3 LEU A 25 21.123 -6.721 -12.305 1.00 0.33 H new ATOM 0 HG LEU A 25 23.537 -4.924 -12.155 1.00 0.34 H new ATOM 0 HD11 LEU A 25 24.738 -6.580 -13.429 1.00 0.29 H new ATOM 0 HD12 LEU A 25 24.304 -7.201 -11.819 1.00 0.29 H new ATOM 0 HD13 LEU A 25 23.383 -7.720 -13.251 1.00 0.29 H new ATOM 0 HD21 LEU A 25 23.177 -5.054 -14.608 1.00 0.50 H new ATOM 0 HD22 LEU A 25 21.848 -6.209 -14.351 1.00 0.50 H new ATOM 0 HD23 LEU A 25 21.689 -4.529 -13.787 1.00 0.50 H new ATOM 394 N PHE A 26 19.295 -6.219 -10.376 1.00 0.25 N ATOM 395 CA PHE A 26 17.842 -6.520 -10.208 1.00 0.24 C ATOM 396 C PHE A 26 17.126 -5.260 -9.734 1.00 0.23 C ATOM 397 O PHE A 26 16.252 -4.716 -10.378 1.00 0.27 O ATOM 398 CB PHE A 26 17.697 -7.640 -9.175 1.00 0.24 C ATOM 399 CG PHE A 26 16.212 -7.978 -9.018 1.00 0.19 C ATOM 400 CD1 PHE A 26 15.313 -7.074 -8.465 1.00 1.17 C ATOM 401 CD2 PHE A 26 15.753 -9.207 -9.451 1.00 0.97 C ATOM 402 CE1 PHE A 26 13.990 -7.419 -8.363 1.00 1.11 C ATOM 403 CE2 PHE A 26 14.421 -9.544 -9.342 1.00 1.04 C ATOM 404 CZ PHE A 26 13.535 -8.645 -8.796 1.00 0.21 C ATOM 0 H PHE A 26 19.931 -6.898 -9.957 1.00 0.25 H new ATOM 0 HA PHE A 26 17.400 -6.840 -11.152 1.00 0.24 H new ATOM 0 HB2 PHE A 26 18.253 -8.522 -9.494 1.00 0.24 H new ATOM 0 HB3 PHE A 26 18.116 -7.328 -8.218 1.00 0.24 H new ATOM 0 HD1 PHE A 26 15.653 -6.109 -8.119 1.00 1.17 H new ATOM 0 HD2 PHE A 26 16.448 -9.914 -9.881 1.00 0.97 H new ATOM 0 HE1 PHE A 26 13.291 -6.716 -7.935 1.00 1.11 H new ATOM 0 HE2 PHE A 26 14.075 -10.508 -9.683 1.00 1.04 H new ATOM 0 HZ PHE A 26 12.489 -8.899 -8.707 1.00 0.21 H new ATOM 414 N ILE A 27 17.546 -4.839 -8.578 1.00 0.22 N ATOM 415 CA ILE A 27 16.971 -3.632 -7.948 1.00 0.22 C ATOM 416 C ILE A 27 16.879 -2.480 -8.972 1.00 0.28 C ATOM 417 O ILE A 27 15.822 -1.932 -9.166 1.00 0.39 O ATOM 418 CB ILE A 27 17.890 -3.426 -6.765 1.00 0.21 C ATOM 419 CG1 ILE A 27 17.666 -4.667 -5.769 1.00 0.22 C ATOM 420 CG2 ILE A 27 17.471 -2.104 -6.151 1.00 0.23 C ATOM 421 CD1 ILE A 27 16.631 -4.353 -4.748 1.00 0.20 C ATOM 0 H ILE A 27 18.280 -5.293 -8.035 1.00 0.22 H new ATOM 0 HA ILE A 27 15.937 -3.704 -7.609 1.00 0.22 H new ATOM 0 HB ILE A 27 18.950 -3.388 -7.016 1.00 0.21 H new ATOM 0 HG12 ILE A 27 17.364 -5.545 -6.339 1.00 0.22 H new ATOM 0 HG13 ILE A 27 18.605 -4.915 -5.275 1.00 0.22 H new ATOM 0 HG21 ILE A 27 18.097 -1.890 -5.285 1.00 0.23 H new ATOM 0 HG22 ILE A 27 17.586 -1.308 -6.887 1.00 0.23 H new ATOM 0 HG23 ILE A 27 16.428 -2.162 -5.839 1.00 0.23 H new ATOM 0 HD11 ILE A 27 16.500 -5.210 -4.087 1.00 0.20 H new ATOM 0 HD12 ILE A 27 16.947 -3.489 -4.163 1.00 0.20 H new ATOM 0 HD13 ILE A 27 15.687 -4.129 -5.244 1.00 0.20 H new ATOM 433 N TYR A 28 17.957 -2.122 -9.602 1.00 0.21 N ATOM 434 CA TYR A 28 17.955 -1.021 -10.632 1.00 0.28 C ATOM 435 C TYR A 28 16.941 -1.343 -11.740 1.00 0.28 C ATOM 436 O TYR A 28 16.079 -0.538 -12.009 1.00 0.33 O ATOM 437 CB TYR A 28 19.359 -0.895 -11.239 1.00 0.43 C ATOM 438 CG TYR A 28 19.451 0.064 -12.457 1.00 0.43 C ATOM 439 CD1 TYR A 28 18.958 -0.268 -13.709 1.00 0.34 C ATOM 440 CD2 TYR A 28 20.076 1.285 -12.322 1.00 0.93 C ATOM 441 CE1 TYR A 28 19.104 0.603 -14.786 1.00 0.52 C ATOM 442 CE2 TYR A 28 20.221 2.144 -13.393 1.00 1.02 C ATOM 443 CZ TYR A 28 19.739 1.812 -14.634 1.00 0.72 C ATOM 444 OH TYR A 28 19.904 2.666 -15.705 1.00 0.93 O ATOM 0 H TYR A 28 18.870 -2.551 -9.450 1.00 0.21 H new ATOM 0 HA TYR A 28 17.674 -0.081 -10.157 1.00 0.28 H new ATOM 0 HB2 TYR A 28 20.045 -0.547 -10.467 1.00 0.43 H new ATOM 0 HB3 TYR A 28 19.699 -1.884 -11.545 1.00 0.43 H new ATOM 0 HD1 TYR A 28 18.455 -1.213 -13.851 1.00 0.34 H new ATOM 0 HD2 TYR A 28 20.461 1.576 -11.356 1.00 0.93 H new ATOM 0 HE1 TYR A 28 18.713 0.324 -15.753 1.00 0.52 H new ATOM 0 HE2 TYR A 28 20.721 3.091 -13.252 1.00 1.02 H new ATOM 0 HH TYR A 28 20.429 3.444 -15.425 1.00 0.93 H new ATOM 454 N SER A 29 17.045 -2.483 -12.359 1.00 0.29 N ATOM 455 CA SER A 29 16.059 -2.822 -13.453 1.00 0.30 C ATOM 456 C SER A 29 14.619 -2.659 -12.978 1.00 0.26 C ATOM 457 O SER A 29 13.838 -1.934 -13.566 1.00 0.23 O ATOM 458 CB SER A 29 16.299 -4.281 -13.954 1.00 0.28 C ATOM 459 OG SER A 29 16.492 -5.097 -12.798 1.00 0.31 O ATOM 0 H SER A 29 17.753 -3.193 -12.169 1.00 0.29 H new ATOM 0 HA SER A 29 16.218 -2.126 -14.277 1.00 0.30 H new ATOM 0 HB2 SER A 29 15.447 -4.633 -14.536 1.00 0.28 H new ATOM 0 HB3 SER A 29 17.171 -4.325 -14.606 1.00 0.28 H new ATOM 0 HG SER A 29 16.640 -4.526 -12.015 1.00 0.31 H new ATOM 465 N HIS A 30 14.319 -3.326 -11.913 1.00 0.28 N ATOM 466 CA HIS A 30 12.965 -3.276 -11.322 1.00 0.25 C ATOM 467 C HIS A 30 12.636 -1.818 -10.919 1.00 0.21 C ATOM 468 O HIS A 30 11.634 -1.278 -11.333 1.00 0.23 O ATOM 469 CB HIS A 30 13.099 -4.308 -10.228 1.00 0.34 C ATOM 470 CG HIS A 30 13.231 -5.639 -10.994 1.00 0.62 C ATOM 471 ND1 HIS A 30 14.293 -6.116 -11.570 1.00 2.00 N ATOM 472 CD2 HIS A 30 12.267 -6.585 -11.243 1.00 0.44 C ATOM 473 CE1 HIS A 30 14.012 -7.257 -12.123 1.00 1.83 C ATOM 474 NE2 HIS A 30 12.758 -7.586 -11.943 1.00 0.34 N ATOM 0 H HIS A 30 14.976 -3.923 -11.411 1.00 0.28 H new ATOM 0 HA HIS A 30 12.110 -3.518 -11.953 1.00 0.25 H new ATOM 0 HB2 HIS A 30 13.971 -4.118 -9.603 1.00 0.34 H new ATOM 0 HB3 HIS A 30 12.230 -4.309 -9.570 1.00 0.34 H new ATOM 0 HD1 HIS A 30 15.207 -5.664 -11.586 1.00 2.00 H new ATOM 0 HD2 HIS A 30 11.242 -6.517 -10.909 1.00 0.44 H new ATOM 0 HE1 HIS A 30 14.725 -7.860 -12.665 1.00 1.83 H new ATOM 482 N TYR A 31 13.471 -1.213 -10.130 1.00 0.19 N ATOM 483 CA TYR A 31 13.316 0.193 -9.665 1.00 0.21 C ATOM 484 C TYR A 31 12.983 1.111 -10.868 1.00 0.22 C ATOM 485 O TYR A 31 12.014 1.840 -10.868 1.00 0.28 O ATOM 486 CB TYR A 31 14.612 0.607 -9.088 1.00 0.19 C ATOM 487 CG TYR A 31 14.535 2.043 -8.670 1.00 0.20 C ATOM 488 CD1 TYR A 31 13.705 2.505 -7.674 1.00 1.20 C ATOM 489 CD2 TYR A 31 15.327 2.893 -9.373 1.00 1.44 C ATOM 490 CE1 TYR A 31 13.675 3.847 -7.392 1.00 1.18 C ATOM 491 CE2 TYR A 31 15.299 4.235 -9.096 1.00 1.46 C ATOM 492 CZ TYR A 31 14.466 4.720 -8.100 1.00 0.23 C ATOM 493 OH TYR A 31 14.395 6.062 -7.799 1.00 0.20 O ATOM 0 H TYR A 31 14.309 -1.666 -9.765 1.00 0.19 H new ATOM 0 HA TYR A 31 12.512 0.268 -8.933 1.00 0.21 H new ATOM 0 HB2 TYR A 31 14.858 -0.020 -8.231 1.00 0.19 H new ATOM 0 HB3 TYR A 31 15.408 0.472 -9.820 1.00 0.19 H new ATOM 0 HD1 TYR A 31 13.083 1.817 -7.120 1.00 1.20 H new ATOM 0 HD2 TYR A 31 15.977 2.513 -10.148 1.00 1.44 H new ATOM 0 HE1 TYR A 31 13.028 4.219 -6.611 1.00 1.18 H new ATOM 0 HE2 TYR A 31 15.926 4.915 -9.654 1.00 1.46 H new ATOM 0 HH TYR A 31 15.010 6.560 -8.378 1.00 0.20 H new ATOM 503 N LYS A 32 13.850 1.016 -11.843 1.00 0.20 N ATOM 504 CA LYS A 32 13.755 1.795 -13.114 1.00 0.22 C ATOM 505 C LYS A 32 12.364 1.562 -13.768 1.00 0.16 C ATOM 506 O LYS A 32 11.652 2.510 -14.020 1.00 0.23 O ATOM 507 CB LYS A 32 14.864 1.312 -13.986 1.00 0.22 C ATOM 508 CG LYS A 32 16.164 1.864 -13.464 1.00 0.38 C ATOM 509 CD LYS A 32 16.285 3.347 -13.871 1.00 0.86 C ATOM 510 CE LYS A 32 17.364 3.905 -13.049 1.00 1.28 C ATOM 511 NZ LYS A 32 18.028 4.998 -13.820 1.00 0.50 N ATOM 0 H LYS A 32 14.660 0.398 -11.805 1.00 0.20 H new ATOM 0 HA LYS A 32 13.849 2.868 -12.947 1.00 0.22 H new ATOM 0 HB2 LYS A 32 14.892 0.222 -13.993 1.00 0.22 H new ATOM 0 HB3 LYS A 32 14.703 1.633 -15.015 1.00 0.22 H new ATOM 0 HG2 LYS A 32 16.204 1.768 -12.379 1.00 0.38 H new ATOM 0 HG3 LYS A 32 17.002 1.295 -13.866 1.00 0.38 H new ATOM 0 HD2 LYS A 32 16.514 3.443 -14.932 1.00 0.86 H new ATOM 0 HD3 LYS A 32 15.348 3.877 -13.698 1.00 0.86 H new ATOM 0 HE2 LYS A 32 16.965 4.291 -12.111 1.00 1.28 H new ATOM 0 HE3 LYS A 32 18.086 3.129 -12.793 1.00 1.28 H new ATOM 0 HZ1 LYS A 32 18.357 5.735 -13.164 1.00 0.50 H new ATOM 0 HZ2 LYS A 32 18.840 4.611 -14.341 1.00 0.50 H new ATOM 0 HZ3 LYS A 32 17.350 5.410 -14.492 1.00 0.50 H new ATOM 525 N GLN A 33 11.986 0.333 -14.060 1.00 0.10 N ATOM 526 CA GLN A 33 10.617 0.161 -14.668 1.00 0.16 C ATOM 527 C GLN A 33 9.534 0.690 -13.734 1.00 0.21 C ATOM 528 O GLN A 33 8.701 1.452 -14.186 1.00 0.31 O ATOM 529 CB GLN A 33 10.363 -1.319 -15.011 1.00 0.14 C ATOM 530 CG GLN A 33 9.806 -1.460 -16.501 1.00 0.69 C ATOM 531 CD GLN A 33 8.295 -1.006 -16.541 1.00 1.00 C ATOM 532 OE1 GLN A 33 7.558 -1.179 -15.593 1.00 1.55 O ATOM 533 NE2 GLN A 33 7.729 -0.434 -17.558 1.00 1.62 N ATOM 0 H GLN A 33 12.531 -0.517 -13.915 1.00 0.10 H new ATOM 0 HA GLN A 33 10.579 0.742 -15.590 1.00 0.16 H new ATOM 0 HB2 GLN A 33 11.288 -1.886 -14.907 1.00 0.14 H new ATOM 0 HB3 GLN A 33 9.647 -1.744 -14.307 1.00 0.14 H new ATOM 0 HG2 GLN A 33 10.399 -0.849 -17.182 1.00 0.69 H new ATOM 0 HG3 GLN A 33 9.896 -2.493 -16.838 1.00 0.69 H new ATOM 0 HE21 GLN A 33 8.269 -0.246 -18.403 1.00 1.62 H new ATOM 0 HE22 GLN A 33 6.744 -0.172 -17.513 1.00 1.62 H new ATOM 542 N ALA A 34 9.554 0.316 -12.482 1.00 0.15 N ATOM 543 CA ALA A 34 8.506 0.820 -11.533 1.00 0.16 C ATOM 544 C ALA A 34 8.419 2.368 -11.517 1.00 0.24 C ATOM 545 O ALA A 34 7.341 2.920 -11.593 1.00 0.26 O ATOM 546 CB ALA A 34 8.839 0.337 -10.142 1.00 0.15 C ATOM 0 H ALA A 34 10.245 -0.313 -12.073 1.00 0.15 H new ATOM 0 HA ALA A 34 7.542 0.437 -11.868 1.00 0.16 H new ATOM 0 HB1 ALA A 34 8.085 0.696 -9.442 1.00 0.15 H new ATOM 0 HB2 ALA A 34 8.856 -0.753 -10.130 1.00 0.15 H new ATOM 0 HB3 ALA A 34 9.817 0.718 -9.849 1.00 0.15 H new ATOM 552 N THR A 35 9.544 3.029 -11.424 1.00 0.28 N ATOM 553 CA THR A 35 9.574 4.543 -11.393 1.00 0.31 C ATOM 554 C THR A 35 9.588 5.170 -12.769 1.00 0.36 C ATOM 555 O THR A 35 8.761 6.017 -13.037 1.00 0.40 O ATOM 556 CB THR A 35 10.820 5.047 -10.658 1.00 0.31 C ATOM 557 OG1 THR A 35 11.896 4.474 -11.374 1.00 0.35 O ATOM 558 CG2 THR A 35 10.924 4.395 -9.337 1.00 0.26 C ATOM 0 H THR A 35 10.462 2.587 -11.367 1.00 0.28 H new ATOM 0 HA THR A 35 8.658 4.835 -10.879 1.00 0.31 H new ATOM 0 HB THR A 35 10.803 6.134 -10.573 1.00 0.31 H new ATOM 0 HG1 THR A 35 12.122 3.604 -10.984 1.00 0.35 H new ATOM 0 HG21 THR A 35 11.812 4.759 -8.821 1.00 0.26 H new ATOM 0 HG22 THR A 35 10.039 4.629 -8.745 1.00 0.26 H new ATOM 0 HG23 THR A 35 10.997 3.315 -9.469 1.00 0.26 H new ATOM 566 N VAL A 36 10.482 4.767 -13.622 1.00 0.36 N ATOM 567 CA VAL A 36 10.525 5.368 -14.995 1.00 0.40 C ATOM 568 C VAL A 36 9.428 4.772 -15.894 1.00 0.42 C ATOM 569 O VAL A 36 8.413 5.383 -16.190 1.00 0.51 O ATOM 570 CB VAL A 36 11.925 5.088 -15.701 1.00 0.31 C ATOM 571 CG1 VAL A 36 11.933 5.814 -17.075 1.00 0.20 C ATOM 572 CG2 VAL A 36 13.096 5.534 -14.885 1.00 0.33 C ATOM 0 H VAL A 36 11.185 4.051 -13.437 1.00 0.36 H new ATOM 0 HA VAL A 36 10.372 6.440 -14.871 1.00 0.40 H new ATOM 0 HB VAL A 36 12.029 4.010 -15.821 1.00 0.31 H new ATOM 0 HG11 VAL A 36 12.884 5.635 -17.576 1.00 0.20 H new ATOM 0 HG12 VAL A 36 11.120 5.432 -17.693 1.00 0.20 H new ATOM 0 HG13 VAL A 36 11.800 6.885 -16.921 1.00 0.20 H new ATOM 0 HG21 VAL A 36 14.019 5.315 -15.422 1.00 0.33 H new ATOM 0 HG22 VAL A 36 13.027 6.607 -14.706 1.00 0.33 H new ATOM 0 HG23 VAL A 36 13.097 5.006 -13.931 1.00 0.33 H new ATOM 582 N GLY A 37 9.733 3.552 -16.226 1.00 0.37 N ATOM 583 CA GLY A 37 8.948 2.636 -17.105 1.00 0.39 C ATOM 584 C GLY A 37 9.913 2.265 -18.246 1.00 0.42 C ATOM 585 O GLY A 37 10.573 1.242 -18.156 1.00 0.18 O ATOM 0 H GLY A 37 10.587 3.110 -15.885 1.00 0.37 H new ATOM 0 HA2 GLY A 37 8.619 1.751 -16.561 1.00 0.39 H new ATOM 0 HA3 GLY A 37 8.052 3.126 -17.488 1.00 0.39 H new ATOM 589 N ASP A 38 9.989 3.107 -19.244 1.00 0.73 N ATOM 590 CA ASP A 38 10.890 2.844 -20.411 1.00 0.79 C ATOM 591 C ASP A 38 12.331 3.405 -20.363 1.00 0.73 C ATOM 592 O ASP A 38 12.598 4.556 -20.072 1.00 0.89 O ATOM 593 CB ASP A 38 10.229 3.407 -21.678 1.00 0.93 C ATOM 594 CG ASP A 38 8.873 2.825 -21.977 1.00 1.13 C ATOM 595 OD1 ASP A 38 7.940 3.284 -21.348 1.00 2.13 O ATOM 596 OD2 ASP A 38 8.876 1.955 -22.829 1.00 0.88 O ATOM 0 H ASP A 38 9.459 3.977 -19.303 1.00 0.73 H new ATOM 0 HA ASP A 38 11.010 1.761 -20.393 1.00 0.79 H new ATOM 0 HB2 ASP A 38 10.133 4.488 -21.575 1.00 0.93 H new ATOM 0 HB3 ASP A 38 10.886 3.225 -22.529 1.00 0.93 H new ATOM 601 N ILE A 39 13.258 2.546 -20.672 1.00 0.64 N ATOM 602 CA ILE A 39 14.672 2.986 -20.667 1.00 0.63 C ATOM 603 C ILE A 39 14.990 3.789 -21.943 1.00 0.63 C ATOM 604 O ILE A 39 14.820 3.331 -23.061 1.00 0.62 O ATOM 605 CB ILE A 39 15.519 1.724 -20.534 1.00 0.59 C ATOM 606 CG1 ILE A 39 16.981 2.138 -20.367 1.00 0.60 C ATOM 607 CG2 ILE A 39 15.406 0.857 -21.764 1.00 0.62 C ATOM 608 CD1 ILE A 39 17.764 0.924 -19.924 1.00 0.58 C ATOM 0 H ILE A 39 13.099 1.571 -20.925 1.00 0.64 H new ATOM 0 HA ILE A 39 14.888 3.659 -19.837 1.00 0.63 H new ATOM 0 HB ILE A 39 15.165 1.156 -19.674 1.00 0.59 H new ATOM 0 HG12 ILE A 39 17.377 2.525 -21.306 1.00 0.60 H new ATOM 0 HG13 ILE A 39 17.069 2.937 -19.631 1.00 0.60 H new ATOM 0 HG21 ILE A 39 16.021 -0.034 -21.639 1.00 0.62 H new ATOM 0 HG22 ILE A 39 14.366 0.563 -21.908 1.00 0.62 H new ATOM 0 HG23 ILE A 39 15.749 1.415 -22.635 1.00 0.62 H new ATOM 0 HD11 ILE A 39 18.813 1.194 -19.798 1.00 0.58 H new ATOM 0 HD12 ILE A 39 17.366 0.560 -18.977 1.00 0.58 H new ATOM 0 HD13 ILE A 39 17.679 0.141 -20.678 1.00 0.58 H new ATOM 620 N ASN A 40 15.432 4.987 -21.653 1.00 0.67 N ATOM 621 CA ASN A 40 15.827 6.009 -22.676 1.00 0.71 C ATOM 622 C ASN A 40 17.192 6.622 -22.246 1.00 0.74 C ATOM 623 O ASN A 40 17.509 7.772 -22.465 1.00 0.76 O ATOM 624 CB ASN A 40 14.649 7.033 -22.711 1.00 0.66 C ATOM 625 CG ASN A 40 14.466 7.752 -21.369 1.00 0.88 C ATOM 626 OD1 ASN A 40 14.973 8.825 -21.137 1.00 1.24 O ATOM 627 ND2 ASN A 40 13.760 7.237 -20.415 1.00 1.02 N ATOM 0 H ASN A 40 15.541 5.316 -20.694 1.00 0.67 H new ATOM 0 HA ASN A 40 15.979 5.614 -23.681 1.00 0.71 H new ATOM 0 HB2 ASN A 40 14.833 7.769 -23.493 1.00 0.66 H new ATOM 0 HB3 ASN A 40 13.727 6.514 -22.972 1.00 0.66 H new ATOM 0 HD21 ASN A 40 13.658 7.735 -19.530 1.00 1.02 H new ATOM 0 HD22 ASN A 40 13.306 6.333 -20.547 1.00 1.02 H new ATOM 634 N THR A 41 17.961 5.762 -21.642 1.00 0.77 N ATOM 635 CA THR A 41 19.335 6.078 -21.112 1.00 0.82 C ATOM 636 C THR A 41 20.416 5.409 -21.986 1.00 0.80 C ATOM 637 O THR A 41 20.088 4.791 -22.980 1.00 0.77 O ATOM 638 CB THR A 41 19.385 5.557 -19.662 1.00 0.77 C ATOM 639 OG1 THR A 41 19.015 4.197 -19.818 1.00 0.52 O ATOM 640 CG2 THR A 41 18.209 6.071 -18.823 1.00 0.85 C ATOM 0 H THR A 41 17.682 4.794 -21.482 1.00 0.77 H new ATOM 0 HA THR A 41 19.531 7.150 -21.136 1.00 0.82 H new ATOM 0 HB THR A 41 20.342 5.815 -19.208 1.00 0.77 H new ATOM 0 HG1 THR A 41 19.788 3.624 -19.631 1.00 0.52 H new ATOM 0 HG21 THR A 41 18.286 5.678 -17.809 1.00 0.85 H new ATOM 0 HG22 THR A 41 18.232 7.160 -18.793 1.00 0.85 H new ATOM 0 HG23 THR A 41 17.271 5.740 -19.270 1.00 0.85 H new ATOM 648 N GLU A 42 21.678 5.492 -21.629 1.00 0.88 N ATOM 649 CA GLU A 42 22.773 4.861 -22.459 1.00 0.83 C ATOM 650 C GLU A 42 23.441 3.528 -21.995 1.00 0.63 C ATOM 651 O GLU A 42 23.220 2.991 -20.929 1.00 0.74 O ATOM 652 CB GLU A 42 23.857 5.934 -22.608 1.00 1.11 C ATOM 653 CG GLU A 42 24.749 5.949 -21.297 1.00 2.20 C ATOM 654 CD GLU A 42 25.972 6.861 -21.371 1.00 2.71 C ATOM 655 OE1 GLU A 42 26.351 7.243 -22.463 1.00 2.62 O ATOM 656 OE2 GLU A 42 26.447 7.101 -20.277 1.00 3.61 O ATOM 0 H GLU A 42 22.005 5.973 -20.791 1.00 0.88 H new ATOM 0 HA GLU A 42 22.272 4.539 -23.372 1.00 0.83 H new ATOM 0 HB2 GLU A 42 24.475 5.727 -23.482 1.00 1.11 H new ATOM 0 HB3 GLU A 42 23.401 6.911 -22.765 1.00 1.11 H new ATOM 0 HG2 GLU A 42 24.130 6.261 -20.456 1.00 2.20 H new ATOM 0 HG3 GLU A 42 25.082 4.932 -21.088 1.00 2.20 H new ATOM 663 N ARG A 43 24.270 3.077 -22.899 1.00 0.55 N ATOM 664 CA ARG A 43 25.091 1.823 -22.817 1.00 0.58 C ATOM 665 C ARG A 43 26.667 2.018 -22.496 1.00 0.68 C ATOM 666 O ARG A 43 27.454 1.981 -23.427 1.00 0.76 O ATOM 667 CB ARG A 43 24.731 1.177 -24.194 1.00 0.66 C ATOM 668 CG ARG A 43 24.854 -0.343 -24.207 1.00 0.96 C ATOM 669 CD ARG A 43 24.314 -0.904 -25.550 1.00 1.42 C ATOM 670 NE ARG A 43 24.560 -2.391 -25.540 1.00 1.83 N ATOM 671 CZ ARG A 43 23.624 -3.263 -25.612 1.00 1.59 C ATOM 672 NH1 ARG A 43 22.999 -3.573 -24.553 1.00 1.40 N ATOM 673 NH2 ARG A 43 23.385 -3.774 -26.749 1.00 2.38 N ATOM 0 H ARG A 43 24.424 3.578 -23.774 1.00 0.55 H new ATOM 0 HA ARG A 43 24.863 1.191 -21.958 1.00 0.58 H new ATOM 0 HB2 ARG A 43 23.710 1.453 -24.459 1.00 0.66 H new ATOM 0 HB3 ARG A 43 25.383 1.592 -24.962 1.00 0.66 H new ATOM 0 HG2 ARG A 43 25.896 -0.634 -24.074 1.00 0.96 H new ATOM 0 HG3 ARG A 43 24.295 -0.769 -23.374 1.00 0.96 H new ATOM 0 HD2 ARG A 43 23.251 -0.690 -25.657 1.00 1.42 H new ATOM 0 HD3 ARG A 43 24.820 -0.436 -26.394 1.00 1.42 H new ATOM 0 HE ARG A 43 25.523 -2.721 -25.472 1.00 1.83 H new ATOM 0 HH11 ARG A 43 23.245 -3.131 -23.668 1.00 1.40 H new ATOM 0 HH12 ARG A 43 22.250 -4.265 -24.587 1.00 1.40 H new ATOM 0 HH21 ARG A 43 23.930 -3.487 -27.562 1.00 2.38 H new ATOM 0 HH22 ARG A 43 22.648 -4.472 -26.850 1.00 2.38 H new ATOM 687 N PRO A 44 27.075 2.226 -21.241 1.00 0.72 N ATOM 688 CA PRO A 44 28.514 2.434 -20.725 1.00 0.84 C ATOM 689 C PRO A 44 29.799 1.666 -21.220 1.00 1.02 C ATOM 690 O PRO A 44 29.736 0.572 -21.739 1.00 1.09 O ATOM 691 CB PRO A 44 28.328 2.296 -19.170 1.00 0.71 C ATOM 692 CG PRO A 44 26.942 3.034 -19.034 1.00 0.60 C ATOM 693 CD PRO A 44 26.120 2.298 -20.108 1.00 0.64 C ATOM 0 HA PRO A 44 28.827 3.375 -21.177 1.00 0.84 H new ATOM 0 HB2 PRO A 44 28.289 1.258 -18.839 1.00 0.71 H new ATOM 0 HB3 PRO A 44 29.123 2.781 -18.604 1.00 0.71 H new ATOM 0 HG2 PRO A 44 26.512 2.927 -18.038 1.00 0.60 H new ATOM 0 HG3 PRO A 44 27.021 4.103 -19.234 1.00 0.60 H new ATOM 0 HD2 PRO A 44 25.809 1.308 -19.775 1.00 0.64 H new ATOM 0 HD3 PRO A 44 25.215 2.844 -20.373 1.00 0.64 H new ATOM 701 N GLY A 45 30.974 2.239 -21.023 1.00 1.26 N ATOM 702 CA GLY A 45 32.266 1.566 -21.478 1.00 1.54 C ATOM 703 C GLY A 45 33.362 1.220 -20.448 1.00 1.65 C ATOM 704 O GLY A 45 33.503 0.073 -20.082 1.00 1.71 O ATOM 0 H GLY A 45 31.102 3.143 -20.568 1.00 1.26 H new ATOM 0 HA2 GLY A 45 31.989 0.639 -21.980 1.00 1.54 H new ATOM 0 HA3 GLY A 45 32.720 2.212 -22.230 1.00 1.54 H new ATOM 708 N MET A 46 34.102 2.193 -19.990 1.00 1.73 N ATOM 709 CA MET A 46 35.205 1.971 -18.990 1.00 1.89 C ATOM 710 C MET A 46 34.910 0.949 -17.865 1.00 1.64 C ATOM 711 O MET A 46 35.740 0.145 -17.500 1.00 1.84 O ATOM 712 CB MET A 46 35.549 3.369 -18.420 1.00 2.09 C ATOM 713 CG MET A 46 34.303 4.054 -17.812 1.00 1.81 C ATOM 714 SD MET A 46 32.889 4.425 -18.883 1.00 2.27 S ATOM 715 CE MET A 46 31.561 3.599 -17.966 1.00 2.27 C ATOM 0 H MET A 46 33.989 3.166 -20.273 1.00 1.73 H new ATOM 0 HA MET A 46 36.044 1.504 -19.505 1.00 1.89 H new ATOM 0 HB2 MET A 46 36.321 3.272 -17.657 1.00 2.09 H new ATOM 0 HB3 MET A 46 35.960 3.995 -19.212 1.00 2.09 H new ATOM 0 HG2 MET A 46 33.943 3.421 -17.001 1.00 1.81 H new ATOM 0 HG3 MET A 46 34.630 4.992 -17.363 1.00 1.81 H new ATOM 0 HE1 MET A 46 30.649 4.192 -18.033 1.00 2.27 H new ATOM 0 HE2 MET A 46 31.384 2.612 -18.393 1.00 2.27 H new ATOM 0 HE3 MET A 46 31.851 3.496 -16.920 1.00 2.27 H new ATOM 725 N LEU A 47 33.711 1.029 -17.363 1.00 1.25 N ATOM 726 CA LEU A 47 33.221 0.133 -16.261 1.00 0.91 C ATOM 727 C LEU A 47 31.985 -0.656 -16.737 1.00 0.71 C ATOM 728 O LEU A 47 31.201 -1.064 -15.906 1.00 0.59 O ATOM 729 CB LEU A 47 32.866 1.048 -15.028 1.00 1.04 C ATOM 730 CG LEU A 47 33.913 1.079 -13.885 1.00 1.13 C ATOM 731 CD1 LEU A 47 33.901 -0.266 -13.108 1.00 1.49 C ATOM 732 CD2 LEU A 47 35.312 1.355 -14.461 1.00 2.29 C ATOM 0 H LEU A 47 33.017 1.705 -17.681 1.00 1.25 H new ATOM 0 HA LEU A 47 33.984 -0.592 -15.978 1.00 0.91 H new ATOM 0 HB2 LEU A 47 32.718 2.067 -15.387 1.00 1.04 H new ATOM 0 HB3 LEU A 47 31.914 0.714 -14.614 1.00 1.04 H new ATOM 0 HG LEU A 47 33.656 1.880 -13.192 1.00 1.13 H new ATOM 0 HD11 LEU A 47 34.641 -0.231 -12.308 1.00 1.49 H new ATOM 0 HD12 LEU A 47 32.912 -0.430 -12.680 1.00 1.49 H new ATOM 0 HD13 LEU A 47 34.142 -1.082 -13.789 1.00 1.49 H new ATOM 0 HD21 LEU A 47 36.041 1.375 -13.651 1.00 2.29 H new ATOM 0 HD22 LEU A 47 35.576 0.568 -15.168 1.00 2.29 H new ATOM 0 HD23 LEU A 47 35.311 2.317 -14.973 1.00 2.29 H new ATOM 744 N ASP A 48 31.834 -0.866 -18.023 1.00 0.89 N ATOM 745 CA ASP A 48 30.657 -1.612 -18.602 1.00 0.91 C ATOM 746 C ASP A 48 29.678 -2.333 -17.651 1.00 0.80 C ATOM 747 O ASP A 48 28.550 -1.895 -17.482 1.00 0.39 O ATOM 748 CB ASP A 48 31.198 -2.649 -19.626 1.00 1.43 C ATOM 749 CG ASP A 48 30.086 -3.476 -20.312 1.00 2.68 C ATOM 750 OD1 ASP A 48 28.940 -3.457 -19.897 1.00 3.73 O ATOM 751 OD2 ASP A 48 30.466 -4.106 -21.278 1.00 3.08 O ATOM 0 H ASP A 48 32.500 -0.541 -18.724 1.00 0.89 H new ATOM 0 HA ASP A 48 30.043 -0.817 -19.026 1.00 0.91 H new ATOM 0 HB2 ASP A 48 31.775 -2.127 -20.389 1.00 1.43 H new ATOM 0 HB3 ASP A 48 31.883 -3.327 -19.117 1.00 1.43 H new ATOM 756 N PHE A 49 30.129 -3.410 -17.070 1.00 1.25 N ATOM 757 CA PHE A 49 29.262 -4.192 -16.137 1.00 1.29 C ATOM 758 C PHE A 49 28.405 -3.310 -15.218 1.00 1.16 C ATOM 759 O PHE A 49 27.285 -3.650 -14.898 1.00 1.47 O ATOM 760 CB PHE A 49 30.153 -5.160 -15.258 1.00 1.59 C ATOM 761 CG PHE A 49 30.522 -4.398 -13.988 1.00 1.11 C ATOM 762 CD1 PHE A 49 29.619 -4.354 -12.937 1.00 1.75 C ATOM 763 CD2 PHE A 49 31.705 -3.711 -13.905 1.00 1.80 C ATOM 764 CE1 PHE A 49 29.895 -3.621 -11.822 1.00 1.37 C ATOM 765 CE2 PHE A 49 31.976 -2.980 -12.781 1.00 1.85 C ATOM 766 CZ PHE A 49 31.073 -2.932 -11.748 1.00 0.50 C ATOM 0 H PHE A 49 31.068 -3.787 -17.201 1.00 1.25 H new ATOM 0 HA PHE A 49 28.574 -4.763 -16.760 1.00 1.29 H new ATOM 0 HB2 PHE A 49 29.608 -6.072 -15.016 1.00 1.59 H new ATOM 0 HB3 PHE A 49 31.049 -5.459 -15.802 1.00 1.59 H new ATOM 0 HD1 PHE A 49 28.692 -4.904 -13.002 1.00 1.75 H new ATOM 0 HD2 PHE A 49 32.415 -3.746 -14.718 1.00 1.80 H new ATOM 0 HE1 PHE A 49 29.190 -3.585 -11.005 1.00 1.37 H new ATOM 0 HE2 PHE A 49 32.907 -2.437 -12.706 1.00 1.85 H new ATOM 0 HZ PHE A 49 31.295 -2.345 -10.869 1.00 0.50 H new ATOM 776 N LYS A 50 28.946 -2.191 -14.823 1.00 1.04 N ATOM 777 CA LYS A 50 28.221 -1.256 -13.916 1.00 1.03 C ATOM 778 C LYS A 50 27.345 -0.173 -14.579 1.00 0.89 C ATOM 779 O LYS A 50 26.660 0.597 -13.933 1.00 1.15 O ATOM 780 CB LYS A 50 29.203 -0.527 -13.047 1.00 1.26 C ATOM 781 CG LYS A 50 28.527 -0.218 -11.663 1.00 1.19 C ATOM 782 CD LYS A 50 28.819 1.230 -11.190 1.00 0.90 C ATOM 783 CE LYS A 50 27.846 2.216 -11.868 1.00 1.28 C ATOM 784 NZ LYS A 50 28.135 3.584 -11.326 1.00 1.90 N ATOM 0 H LYS A 50 29.878 -1.879 -15.096 1.00 1.04 H new ATOM 0 HA LYS A 50 27.545 -1.918 -13.374 1.00 1.03 H new ATOM 0 HB2 LYS A 50 30.099 -1.131 -12.902 1.00 1.26 H new ATOM 0 HB3 LYS A 50 29.517 0.399 -13.528 1.00 1.26 H new ATOM 0 HG2 LYS A 50 27.450 -0.364 -11.744 1.00 1.19 H new ATOM 0 HG3 LYS A 50 28.889 -0.924 -10.916 1.00 1.19 H new ATOM 0 HD2 LYS A 50 28.718 1.294 -10.107 1.00 0.90 H new ATOM 0 HD3 LYS A 50 29.848 1.499 -11.430 1.00 0.90 H new ATOM 0 HE2 LYS A 50 27.975 2.198 -12.950 1.00 1.28 H new ATOM 0 HE3 LYS A 50 26.813 1.934 -11.665 1.00 1.28 H new ATOM 0 HZ1 LYS A 50 27.493 4.274 -11.765 1.00 1.90 H new ATOM 0 HZ2 LYS A 50 27.993 3.586 -10.296 1.00 1.90 H new ATOM 0 HZ3 LYS A 50 29.119 3.842 -11.541 1.00 1.90 H new ATOM 798 N GLY A 51 27.392 -0.162 -15.877 1.00 0.90 N ATOM 799 CA GLY A 51 26.625 0.744 -16.796 1.00 0.78 C ATOM 800 C GLY A 51 25.726 -0.096 -17.786 1.00 0.74 C ATOM 801 O GLY A 51 24.532 0.090 -17.817 1.00 0.69 O ATOM 0 H GLY A 51 27.991 -0.809 -16.391 1.00 0.90 H new ATOM 0 HA2 GLY A 51 25.999 1.418 -16.211 1.00 0.78 H new ATOM 0 HA3 GLY A 51 27.318 1.365 -17.364 1.00 0.78 H new ATOM 805 N LYS A 52 26.224 -1.036 -18.577 1.00 0.78 N ATOM 806 CA LYS A 52 25.219 -1.772 -19.479 1.00 0.64 C ATOM 807 C LYS A 52 24.363 -2.788 -18.723 1.00 0.79 C ATOM 808 O LYS A 52 23.171 -2.638 -18.770 1.00 0.64 O ATOM 809 CB LYS A 52 25.907 -2.534 -20.607 1.00 0.92 C ATOM 810 CG LYS A 52 26.221 -1.552 -21.719 1.00 1.10 C ATOM 811 CD LYS A 52 27.713 -1.272 -21.832 1.00 1.45 C ATOM 812 CE LYS A 52 28.384 -2.357 -22.674 1.00 1.39 C ATOM 813 NZ LYS A 52 29.814 -1.958 -22.825 1.00 1.44 N ATOM 0 H LYS A 52 27.202 -1.319 -18.647 1.00 0.78 H new ATOM 0 HA LYS A 52 24.587 -0.977 -19.875 1.00 0.64 H new ATOM 0 HB2 LYS A 52 26.822 -3.004 -20.246 1.00 0.92 H new ATOM 0 HB3 LYS A 52 25.262 -3.332 -20.975 1.00 0.92 H new ATOM 0 HG2 LYS A 52 25.854 -1.948 -22.666 1.00 1.10 H new ATOM 0 HG3 LYS A 52 25.690 -0.618 -21.537 1.00 1.10 H new ATOM 0 HD2 LYS A 52 27.875 -0.295 -22.287 1.00 1.45 H new ATOM 0 HD3 LYS A 52 28.162 -1.240 -20.839 1.00 1.45 H new ATOM 0 HE2 LYS A 52 28.303 -3.330 -22.189 1.00 1.39 H new ATOM 0 HE3 LYS A 52 27.902 -2.445 -23.648 1.00 1.39 H new ATOM 0 HZ1 LYS A 52 30.006 -1.724 -23.820 1.00 1.44 H new ATOM 0 HZ2 LYS A 52 30.007 -1.127 -22.231 1.00 1.44 H new ATOM 0 HZ3 LYS A 52 30.427 -2.745 -22.530 1.00 1.44 H new ATOM 827 N ALA A 53 24.934 -3.775 -18.061 1.00 1.07 N ATOM 828 CA ALA A 53 24.203 -4.827 -17.259 1.00 1.23 C ATOM 829 C ALA A 53 22.766 -4.371 -16.914 1.00 1.19 C ATOM 830 O ALA A 53 21.775 -4.912 -17.350 1.00 1.20 O ATOM 831 CB ALA A 53 25.124 -5.095 -15.956 1.00 1.35 C ATOM 0 H ALA A 53 25.946 -3.901 -18.044 1.00 1.07 H new ATOM 0 HA ALA A 53 24.064 -5.753 -17.817 1.00 1.23 H new ATOM 0 HB1 ALA A 53 24.653 -5.850 -15.327 1.00 1.35 H new ATOM 0 HB2 ALA A 53 26.107 -5.446 -16.271 1.00 1.35 H new ATOM 0 HB3 ALA A 53 25.234 -4.169 -15.391 1.00 1.35 H new ATOM 837 N LYS A 54 22.750 -3.353 -16.106 1.00 1.16 N ATOM 838 CA LYS A 54 21.488 -2.686 -15.614 1.00 1.06 C ATOM 839 C LYS A 54 20.701 -2.179 -16.784 1.00 0.74 C ATOM 840 O LYS A 54 19.566 -2.561 -16.912 1.00 0.72 O ATOM 841 CB LYS A 54 21.701 -1.434 -14.735 1.00 1.05 C ATOM 842 CG LYS A 54 23.027 -0.832 -14.954 1.00 1.05 C ATOM 843 CD LYS A 54 23.988 -1.806 -14.391 1.00 2.49 C ATOM 844 CE LYS A 54 25.267 -1.719 -14.889 1.00 4.07 C ATOM 845 NZ LYS A 54 25.542 -2.267 -16.213 1.00 5.72 N ATOM 0 H LYS A 54 23.601 -2.925 -15.741 1.00 1.16 H new ATOM 0 HA LYS A 54 20.997 -3.461 -15.025 1.00 1.06 H new ATOM 0 HB2 LYS A 54 20.927 -0.699 -14.956 1.00 1.05 H new ATOM 0 HB3 LYS A 54 21.593 -1.705 -13.685 1.00 1.05 H new ATOM 0 HG2 LYS A 54 23.213 -0.662 -16.015 1.00 1.05 H new ATOM 0 HG3 LYS A 54 23.108 0.135 -14.457 1.00 1.05 H new ATOM 0 HD2 LYS A 54 24.026 -1.672 -13.310 1.00 2.49 H new ATOM 0 HD3 LYS A 54 23.611 -2.812 -14.574 1.00 2.49 H new ATOM 0 HE2 LYS A 54 25.545 -0.665 -14.903 1.00 4.07 H new ATOM 0 HE3 LYS A 54 25.932 -2.215 -14.181 1.00 4.07 H new ATOM 0 HZ1 LYS A 54 26.132 -1.599 -16.749 1.00 5.72 H new ATOM 0 HZ2 LYS A 54 26.044 -3.173 -16.116 1.00 5.72 H new ATOM 0 HZ3 LYS A 54 24.646 -2.420 -16.718 1.00 5.72 H new ATOM 859 N TRP A 55 21.306 -1.332 -17.586 1.00 0.50 N ATOM 860 CA TRP A 55 20.636 -0.763 -18.775 1.00 0.23 C ATOM 861 C TRP A 55 19.826 -1.875 -19.410 1.00 0.20 C ATOM 862 O TRP A 55 18.625 -1.830 -19.495 1.00 0.32 O ATOM 863 CB TRP A 55 21.732 -0.274 -19.671 1.00 0.30 C ATOM 864 CG TRP A 55 21.143 0.737 -20.596 1.00 0.28 C ATOM 865 CD1 TRP A 55 20.927 2.003 -20.204 1.00 0.44 C ATOM 866 CD2 TRP A 55 20.781 0.567 -21.876 1.00 0.25 C ATOM 867 NE1 TRP A 55 20.442 2.530 -21.297 1.00 0.50 N ATOM 868 CE2 TRP A 55 20.317 1.760 -22.357 1.00 0.42 C ATOM 869 CE3 TRP A 55 20.812 -0.537 -22.699 1.00 0.19 C ATOM 870 CZ2 TRP A 55 19.895 1.874 -23.652 1.00 0.52 C ATOM 871 CZ3 TRP A 55 20.388 -0.435 -24.008 1.00 0.34 C ATOM 872 CH2 TRP A 55 19.930 0.782 -24.486 1.00 0.49 C ATOM 0 H TRP A 55 22.264 -1.010 -17.451 1.00 0.50 H new ATOM 0 HA TRP A 55 19.959 0.062 -18.553 1.00 0.23 H new ATOM 0 HB2 TRP A 55 22.537 0.168 -19.084 1.00 0.30 H new ATOM 0 HB3 TRP A 55 22.164 -1.102 -20.234 1.00 0.30 H new ATOM 0 HD1 TRP A 55 21.106 2.462 -19.243 1.00 0.44 H new ATOM 0 HE1 TRP A 55 20.168 3.512 -21.328 1.00 0.50 H new ATOM 0 HE3 TRP A 55 21.168 -1.483 -22.319 1.00 0.19 H new ATOM 0 HZ2 TRP A 55 19.534 2.823 -24.020 1.00 0.52 H new ATOM 0 HZ3 TRP A 55 20.413 -1.299 -24.656 1.00 0.34 H new ATOM 0 HH2 TRP A 55 19.601 0.872 -25.511 1.00 0.49 H new ATOM 883 N ASP A 56 20.603 -2.829 -19.797 1.00 0.37 N ATOM 884 CA ASP A 56 20.167 -4.076 -20.450 1.00 0.60 C ATOM 885 C ASP A 56 18.972 -4.675 -19.667 1.00 0.64 C ATOM 886 O ASP A 56 17.846 -4.653 -20.127 1.00 0.81 O ATOM 887 CB ASP A 56 21.574 -4.781 -20.485 1.00 0.73 C ATOM 888 CG ASP A 56 22.156 -4.323 -21.813 1.00 0.91 C ATOM 889 OD1 ASP A 56 22.697 -3.229 -21.861 1.00 1.63 O ATOM 890 OD2 ASP A 56 22.021 -5.085 -22.748 1.00 1.59 O ATOM 0 H ASP A 56 21.614 -2.785 -19.673 1.00 0.37 H new ATOM 0 HA ASP A 56 19.718 -4.089 -21.443 1.00 0.60 H new ATOM 0 HB2 ASP A 56 22.198 -4.477 -19.645 1.00 0.73 H new ATOM 0 HB3 ASP A 56 21.483 -5.866 -20.438 1.00 0.73 H new ATOM 895 N ALA A 57 19.239 -5.180 -18.501 1.00 0.70 N ATOM 896 CA ALA A 57 18.187 -5.782 -17.629 1.00 0.74 C ATOM 897 C ALA A 57 16.916 -4.885 -17.564 1.00 0.52 C ATOM 898 O ALA A 57 15.798 -5.317 -17.737 1.00 0.67 O ATOM 899 CB ALA A 57 18.833 -5.969 -16.246 1.00 0.86 C ATOM 0 H ALA A 57 20.176 -5.203 -18.098 1.00 0.70 H new ATOM 0 HA ALA A 57 17.844 -6.737 -18.027 1.00 0.74 H new ATOM 0 HB1 ALA A 57 18.107 -6.408 -15.562 1.00 0.86 H new ATOM 0 HB2 ALA A 57 19.695 -6.630 -16.334 1.00 0.86 H new ATOM 0 HB3 ALA A 57 19.155 -5.001 -15.861 1.00 0.86 H new ATOM 905 N TRP A 58 17.091 -3.617 -17.316 1.00 0.22 N ATOM 906 CA TRP A 58 15.900 -2.696 -17.240 1.00 0.09 C ATOM 907 C TRP A 58 15.243 -2.669 -18.630 1.00 0.24 C ATOM 908 O TRP A 58 14.063 -2.878 -18.794 1.00 0.31 O ATOM 909 CB TRP A 58 16.348 -1.260 -16.827 1.00 0.13 C ATOM 910 CG TRP A 58 15.162 -0.295 -17.002 1.00 0.20 C ATOM 911 CD1 TRP A 58 13.836 -0.641 -17.057 1.00 0.22 C ATOM 912 CD2 TRP A 58 15.278 1.036 -17.156 1.00 0.25 C ATOM 913 NE1 TRP A 58 13.244 0.529 -17.255 1.00 0.26 N ATOM 914 CE2 TRP A 58 14.028 1.582 -17.323 1.00 0.28 C ATOM 915 CE3 TRP A 58 16.388 1.860 -17.148 1.00 0.28 C ATOM 916 CZ2 TRP A 58 13.879 2.933 -17.489 1.00 0.36 C ATOM 917 CZ3 TRP A 58 16.230 3.218 -17.311 1.00 0.35 C ATOM 918 CH2 TRP A 58 14.984 3.751 -17.482 1.00 0.38 C ATOM 0 H TRP A 58 17.996 -3.172 -17.162 1.00 0.22 H new ATOM 0 HA TRP A 58 15.193 -3.052 -16.490 1.00 0.09 H new ATOM 0 HB2 TRP A 58 16.688 -1.255 -15.791 1.00 0.13 H new ATOM 0 HB3 TRP A 58 17.190 -0.937 -17.440 1.00 0.13 H new ATOM 0 HD1 TRP A 58 13.387 -1.619 -16.963 1.00 0.22 H new ATOM 0 HE1 TRP A 58 12.231 0.608 -17.350 1.00 0.26 H new ATOM 0 HE3 TRP A 58 17.374 1.441 -17.015 1.00 0.28 H new ATOM 0 HZ2 TRP A 58 12.894 3.356 -17.625 1.00 0.36 H new ATOM 0 HZ3 TRP A 58 17.095 3.865 -17.304 1.00 0.35 H new ATOM 0 HH2 TRP A 58 14.867 4.817 -17.612 1.00 0.38 H new ATOM 929 N ASN A 59 16.020 -2.398 -19.624 1.00 0.30 N ATOM 930 CA ASN A 59 15.551 -2.346 -21.026 1.00 0.46 C ATOM 931 C ASN A 59 14.775 -3.627 -21.336 1.00 0.44 C ATOM 932 O ASN A 59 13.939 -3.628 -22.224 1.00 0.56 O ATOM 933 CB ASN A 59 16.808 -2.205 -21.843 1.00 0.56 C ATOM 934 CG ASN A 59 16.601 -1.931 -23.303 1.00 0.74 C ATOM 935 OD1 ASN A 59 15.896 -1.060 -23.777 1.00 1.07 O ATOM 936 ND2 ASN A 59 17.267 -2.713 -24.059 1.00 0.55 N ATOM 0 H ASN A 59 17.015 -2.200 -19.517 1.00 0.30 H new ATOM 0 HA ASN A 59 14.870 -1.522 -21.240 1.00 0.46 H new ATOM 0 HB2 ASN A 59 17.406 -1.398 -21.421 1.00 0.56 H new ATOM 0 HB3 ASN A 59 17.391 -3.120 -21.742 1.00 0.56 H new ATOM 0 HD21 ASN A 59 17.212 -2.612 -25.072 1.00 0.55 H new ATOM 0 HD22 ASN A 59 17.855 -3.440 -23.650 1.00 0.55 H new ATOM 943 N GLU A 60 15.076 -4.655 -20.570 1.00 0.33 N ATOM 944 CA GLU A 60 14.382 -5.958 -20.797 1.00 0.36 C ATOM 945 C GLU A 60 12.932 -5.788 -20.294 1.00 0.42 C ATOM 946 O GLU A 60 11.970 -6.240 -20.882 1.00 0.59 O ATOM 947 CB GLU A 60 15.211 -7.025 -20.030 1.00 0.33 C ATOM 948 CG GLU A 60 14.822 -8.464 -20.440 1.00 0.45 C ATOM 949 CD GLU A 60 15.910 -9.460 -19.999 1.00 0.52 C ATOM 950 OE1 GLU A 60 16.134 -9.564 -18.803 1.00 0.72 O ATOM 951 OE2 GLU A 60 16.464 -10.061 -20.905 1.00 1.47 O ATOM 0 H GLU A 60 15.759 -4.645 -19.813 1.00 0.33 H new ATOM 0 HA GLU A 60 14.319 -6.275 -21.838 1.00 0.36 H new ATOM 0 HB2 GLU A 60 16.272 -6.867 -20.223 1.00 0.33 H new ATOM 0 HB3 GLU A 60 15.060 -6.900 -18.958 1.00 0.33 H new ATOM 0 HG2 GLU A 60 13.868 -8.733 -19.986 1.00 0.45 H new ATOM 0 HG3 GLU A 60 14.687 -8.517 -21.520 1.00 0.45 H new ATOM 958 N LEU A 61 12.852 -5.110 -19.190 1.00 0.29 N ATOM 959 CA LEU A 61 11.567 -4.787 -18.493 1.00 0.33 C ATOM 960 C LEU A 61 10.776 -3.629 -19.116 1.00 0.45 C ATOM 961 O LEU A 61 9.567 -3.633 -19.049 1.00 0.43 O ATOM 962 CB LEU A 61 11.809 -4.348 -17.078 1.00 0.28 C ATOM 963 CG LEU A 61 12.820 -5.169 -16.346 1.00 0.20 C ATOM 964 CD1 LEU A 61 12.959 -4.513 -15.011 1.00 0.22 C ATOM 965 CD2 LEU A 61 12.406 -6.605 -16.281 1.00 0.19 C ATOM 0 H LEU A 61 13.673 -4.742 -18.710 1.00 0.29 H new ATOM 0 HA LEU A 61 11.003 -5.717 -18.572 1.00 0.33 H new ATOM 0 HB2 LEU A 61 12.137 -3.308 -17.083 1.00 0.28 H new ATOM 0 HB3 LEU A 61 10.866 -4.382 -16.533 1.00 0.28 H new ATOM 0 HG LEU A 61 13.787 -5.201 -16.848 1.00 0.20 H new ATOM 0 HD11 LEU A 61 13.687 -5.059 -14.411 1.00 0.22 H new ATOM 0 HD12 LEU A 61 13.296 -3.485 -15.144 1.00 0.22 H new ATOM 0 HD13 LEU A 61 11.995 -4.515 -14.502 1.00 0.22 H new ATOM 0 HD21 LEU A 61 13.161 -7.177 -15.743 1.00 0.19 H new ATOM 0 HD22 LEU A 61 11.451 -6.685 -15.761 1.00 0.19 H new ATOM 0 HD23 LEU A 61 12.303 -7.000 -17.292 1.00 0.19 H new ATOM 977 N LYS A 62 11.484 -2.701 -19.686 1.00 0.56 N ATOM 978 CA LYS A 62 10.916 -1.471 -20.342 1.00 0.71 C ATOM 979 C LYS A 62 9.394 -1.507 -20.541 1.00 0.95 C ATOM 980 O LYS A 62 8.692 -0.651 -20.055 1.00 1.84 O ATOM 981 CB LYS A 62 11.710 -1.297 -21.697 1.00 0.66 C ATOM 982 CG LYS A 62 11.035 -0.195 -22.548 1.00 0.68 C ATOM 983 CD LYS A 62 12.063 0.786 -23.267 1.00 1.74 C ATOM 984 CE LYS A 62 12.979 0.115 -24.302 1.00 1.59 C ATOM 985 NZ LYS A 62 14.201 0.980 -24.573 1.00 2.87 N ATOM 0 H LYS A 62 12.502 -2.741 -19.731 1.00 0.56 H new ATOM 0 HA LYS A 62 11.048 -0.607 -19.690 1.00 0.71 H new ATOM 0 HB2 LYS A 62 12.747 -1.030 -21.492 1.00 0.66 H new ATOM 0 HB3 LYS A 62 11.725 -2.238 -22.246 1.00 0.66 H new ATOM 0 HG2 LYS A 62 10.408 -0.667 -23.305 1.00 0.68 H new ATOM 0 HG3 LYS A 62 10.375 0.391 -21.908 1.00 0.68 H new ATOM 0 HD2 LYS A 62 11.502 1.580 -23.760 1.00 1.74 H new ATOM 0 HD3 LYS A 62 12.684 1.260 -22.506 1.00 1.74 H new ATOM 0 HE2 LYS A 62 13.292 -0.864 -23.939 1.00 1.59 H new ATOM 0 HE3 LYS A 62 12.430 -0.050 -25.229 1.00 1.59 H new ATOM 0 HZ1 LYS A 62 14.209 1.267 -25.573 1.00 2.87 H new ATOM 0 HZ2 LYS A 62 14.168 1.827 -23.970 1.00 2.87 H new ATOM 0 HZ3 LYS A 62 15.063 0.438 -24.362 1.00 2.87 H new ATOM 999 N GLY A 63 8.936 -2.514 -21.213 1.00 0.33 N ATOM 1000 CA GLY A 63 7.459 -2.689 -21.490 1.00 0.35 C ATOM 1001 C GLY A 63 6.732 -3.590 -20.462 1.00 0.35 C ATOM 1002 O GLY A 63 5.904 -4.408 -20.807 1.00 0.64 O ATOM 0 H GLY A 63 9.525 -3.252 -21.600 1.00 0.33 H new ATOM 0 HA2 GLY A 63 6.982 -1.709 -21.501 1.00 0.35 H new ATOM 0 HA3 GLY A 63 7.334 -3.115 -22.485 1.00 0.35 H new ATOM 1006 N THR A 64 7.095 -3.390 -19.227 1.00 0.27 N ATOM 1007 CA THR A 64 6.514 -4.148 -18.050 1.00 0.34 C ATOM 1008 C THR A 64 5.445 -3.293 -17.386 1.00 0.38 C ATOM 1009 O THR A 64 5.159 -2.172 -17.771 1.00 0.52 O ATOM 1010 CB THR A 64 7.599 -4.452 -16.932 1.00 0.39 C ATOM 1011 OG1 THR A 64 8.512 -5.381 -17.458 1.00 0.97 O ATOM 1012 CG2 THR A 64 7.158 -5.239 -15.690 1.00 0.56 C ATOM 0 H THR A 64 7.801 -2.704 -18.960 1.00 0.27 H new ATOM 0 HA THR A 64 6.122 -5.086 -18.443 1.00 0.34 H new ATOM 0 HB THR A 64 7.926 -3.449 -16.657 1.00 0.39 H new ATOM 0 HG1 THR A 64 8.805 -5.085 -18.345 1.00 0.97 H new ATOM 0 HG21 THR A 64 8.008 -5.367 -15.020 1.00 0.56 H new ATOM 0 HG22 THR A 64 6.368 -4.693 -15.174 1.00 0.56 H new ATOM 0 HG23 THR A 64 6.784 -6.217 -15.993 1.00 0.56 H new ATOM 1020 N SER A 65 4.878 -3.893 -16.378 1.00 0.63 N ATOM 1021 CA SER A 65 3.835 -3.213 -15.585 1.00 0.79 C ATOM 1022 C SER A 65 4.666 -2.653 -14.408 1.00 0.58 C ATOM 1023 O SER A 65 5.428 -3.293 -13.696 1.00 0.64 O ATOM 1024 CB SER A 65 2.779 -4.158 -14.983 1.00 1.22 C ATOM 1025 OG SER A 65 3.460 -4.949 -14.010 1.00 2.04 O ATOM 0 H SER A 65 5.101 -4.840 -16.071 1.00 0.63 H new ATOM 0 HA SER A 65 3.279 -2.504 -16.198 1.00 0.79 H new ATOM 0 HB2 SER A 65 1.967 -3.593 -14.526 1.00 1.22 H new ATOM 0 HB3 SER A 65 2.335 -4.787 -15.754 1.00 1.22 H new ATOM 0 HG SER A 65 3.048 -5.837 -13.963 1.00 2.04 H new ATOM 1031 N LYS A 66 4.466 -1.393 -14.228 1.00 0.52 N ATOM 1032 CA LYS A 66 5.195 -0.679 -13.130 1.00 0.40 C ATOM 1033 C LYS A 66 5.066 -1.372 -11.773 1.00 0.37 C ATOM 1034 O LYS A 66 5.930 -1.366 -10.919 1.00 0.28 O ATOM 1035 CB LYS A 66 4.648 0.739 -13.057 1.00 0.38 C ATOM 1036 CG LYS A 66 5.363 1.536 -14.156 1.00 0.47 C ATOM 1037 CD LYS A 66 5.285 3.050 -13.889 1.00 0.56 C ATOM 1038 CE LYS A 66 6.449 3.650 -14.687 1.00 1.10 C ATOM 1039 NZ LYS A 66 6.565 5.104 -14.398 1.00 0.92 N ATOM 0 H LYS A 66 3.835 -0.815 -14.783 1.00 0.52 H new ATOM 0 HA LYS A 66 6.260 -0.682 -13.362 1.00 0.40 H new ATOM 0 HB2 LYS A 66 3.569 0.747 -13.211 1.00 0.38 H new ATOM 0 HB3 LYS A 66 4.834 1.177 -12.076 1.00 0.38 H new ATOM 0 HG2 LYS A 66 6.407 1.228 -14.211 1.00 0.47 H new ATOM 0 HG3 LYS A 66 4.913 1.311 -15.123 1.00 0.47 H new ATOM 0 HD2 LYS A 66 4.329 3.460 -14.215 1.00 0.56 H new ATOM 0 HD3 LYS A 66 5.380 3.269 -12.826 1.00 0.56 H new ATOM 0 HE2 LYS A 66 7.379 3.144 -14.427 1.00 1.10 H new ATOM 0 HE3 LYS A 66 6.288 3.494 -15.754 1.00 1.10 H new ATOM 0 HZ1 LYS A 66 6.900 5.601 -15.248 1.00 0.92 H new ATOM 0 HZ2 LYS A 66 5.635 5.478 -14.122 1.00 0.92 H new ATOM 0 HZ3 LYS A 66 7.241 5.251 -13.622 1.00 0.92 H new ATOM 1053 N GLU A 67 3.932 -1.967 -11.662 1.00 0.49 N ATOM 1054 CA GLU A 67 3.521 -2.715 -10.461 1.00 0.51 C ATOM 1055 C GLU A 67 4.334 -4.015 -10.327 1.00 0.48 C ATOM 1056 O GLU A 67 4.887 -4.241 -9.271 1.00 0.42 O ATOM 1057 CB GLU A 67 2.025 -2.842 -10.673 1.00 0.65 C ATOM 1058 CG GLU A 67 1.437 -1.357 -10.417 1.00 0.63 C ATOM 1059 CD GLU A 67 -0.104 -1.291 -10.293 1.00 1.64 C ATOM 1060 OE1 GLU A 67 -0.778 -1.531 -11.279 1.00 2.54 O ATOM 1061 OE2 GLU A 67 -0.502 -0.995 -9.178 1.00 2.05 O ATOM 0 H GLU A 67 3.229 -1.965 -12.401 1.00 0.49 H new ATOM 0 HA GLU A 67 3.720 -2.248 -9.497 1.00 0.51 H new ATOM 0 HB2 GLU A 67 1.797 -3.188 -11.681 1.00 0.65 H new ATOM 0 HB3 GLU A 67 1.589 -3.564 -9.982 1.00 0.65 H new ATOM 0 HG2 GLU A 67 1.880 -0.957 -9.505 1.00 0.63 H new ATOM 0 HG3 GLU A 67 1.751 -0.709 -11.235 1.00 0.63 H new ATOM 1068 N ASP A 68 4.428 -4.874 -11.317 1.00 0.61 N ATOM 1069 CA ASP A 68 5.255 -6.095 -11.112 1.00 0.71 C ATOM 1070 C ASP A 68 6.664 -5.632 -10.811 1.00 0.55 C ATOM 1071 O ASP A 68 7.344 -6.184 -9.968 1.00 0.65 O ATOM 1072 CB ASP A 68 5.157 -6.909 -12.371 1.00 0.94 C ATOM 1073 CG ASP A 68 3.907 -7.750 -12.219 1.00 1.26 C ATOM 1074 OD1 ASP A 68 3.862 -8.473 -11.232 1.00 2.04 O ATOM 1075 OD2 ASP A 68 3.094 -7.593 -13.110 1.00 0.84 O ATOM 0 H ASP A 68 3.981 -4.783 -12.229 1.00 0.61 H new ATOM 0 HA ASP A 68 4.923 -6.719 -10.282 1.00 0.71 H new ATOM 0 HB2 ASP A 68 5.092 -6.266 -13.249 1.00 0.94 H new ATOM 0 HB3 ASP A 68 6.038 -7.537 -12.501 1.00 0.94 H new ATOM 1080 N ALA A 69 7.050 -4.616 -11.533 1.00 0.37 N ATOM 1081 CA ALA A 69 8.411 -4.023 -11.334 1.00 0.34 C ATOM 1082 C ALA A 69 8.407 -3.699 -9.827 1.00 0.36 C ATOM 1083 O ALA A 69 9.333 -4.029 -9.125 1.00 0.59 O ATOM 1084 CB ALA A 69 8.522 -2.772 -12.182 1.00 0.20 C ATOM 0 H ALA A 69 6.484 -4.168 -12.254 1.00 0.37 H new ATOM 0 HA ALA A 69 9.247 -4.662 -11.619 1.00 0.34 H new ATOM 0 HB1 ALA A 69 9.508 -2.328 -12.048 1.00 0.20 H new ATOM 0 HB2 ALA A 69 8.380 -3.030 -13.231 1.00 0.20 H new ATOM 0 HB3 ALA A 69 7.758 -2.057 -11.877 1.00 0.20 H new ATOM 1090 N MET A 70 7.374 -3.061 -9.346 1.00 0.17 N ATOM 1091 CA MET A 70 7.335 -2.758 -7.901 1.00 0.21 C ATOM 1092 C MET A 70 7.426 -3.997 -7.037 1.00 0.28 C ATOM 1093 O MET A 70 8.279 -4.016 -6.191 1.00 0.44 O ATOM 1094 CB MET A 70 6.034 -2.078 -7.425 1.00 0.12 C ATOM 1095 CG MET A 70 5.922 -0.669 -7.867 1.00 0.13 C ATOM 1096 SD MET A 70 4.744 0.268 -6.876 1.00 0.40 S ATOM 1097 CE MET A 70 4.695 1.620 -8.062 1.00 0.15 C ATOM 0 H MET A 70 6.570 -2.744 -9.888 1.00 0.17 H new ATOM 0 HA MET A 70 8.194 -2.096 -7.789 1.00 0.21 H new ATOM 0 HB2 MET A 70 5.179 -2.640 -7.800 1.00 0.12 H new ATOM 0 HB3 MET A 70 5.988 -2.116 -6.337 1.00 0.12 H new ATOM 0 HG2 MET A 70 6.901 -0.194 -7.809 1.00 0.13 H new ATOM 0 HG3 MET A 70 5.616 -0.642 -8.913 1.00 0.13 H new ATOM 0 HE1 MET A 70 4.371 2.532 -7.561 1.00 0.15 H new ATOM 0 HE2 MET A 70 5.689 1.771 -8.483 1.00 0.15 H new ATOM 0 HE3 MET A 70 3.995 1.377 -8.862 1.00 0.15 H new ATOM 1107 N LYS A 71 6.589 -4.965 -7.257 1.00 0.29 N ATOM 1108 CA LYS A 71 6.604 -6.196 -6.442 1.00 0.53 C ATOM 1109 C LYS A 71 8.012 -6.672 -6.378 1.00 0.64 C ATOM 1110 O LYS A 71 8.652 -6.634 -5.358 1.00 1.16 O ATOM 1111 CB LYS A 71 5.630 -7.202 -7.116 1.00 0.56 C ATOM 1112 CG LYS A 71 6.118 -8.311 -8.064 1.00 2.15 C ATOM 1113 CD LYS A 71 4.983 -9.362 -8.273 1.00 1.88 C ATOM 1114 CE LYS A 71 4.671 -10.101 -6.959 1.00 2.08 C ATOM 1115 NZ LYS A 71 5.958 -10.703 -6.487 1.00 3.48 N ATOM 0 H LYS A 71 5.878 -4.950 -7.988 1.00 0.29 H new ATOM 0 HA LYS A 71 6.267 -6.051 -5.416 1.00 0.53 H new ATOM 0 HB2 LYS A 71 5.085 -7.696 -6.312 1.00 0.56 H new ATOM 0 HB3 LYS A 71 4.906 -6.609 -7.675 1.00 0.56 H new ATOM 0 HG2 LYS A 71 6.410 -7.881 -9.022 1.00 2.15 H new ATOM 0 HG3 LYS A 71 7.002 -8.794 -7.649 1.00 2.15 H new ATOM 0 HD2 LYS A 71 4.084 -8.865 -8.638 1.00 1.88 H new ATOM 0 HD3 LYS A 71 5.283 -10.080 -9.037 1.00 1.88 H new ATOM 0 HE2 LYS A 71 4.269 -9.414 -6.214 1.00 2.08 H new ATOM 0 HE3 LYS A 71 3.918 -10.873 -7.119 1.00 2.08 H new ATOM 0 HZ1 LYS A 71 5.768 -11.624 -6.043 1.00 3.48 H new ATOM 0 HZ2 LYS A 71 6.598 -10.834 -7.297 1.00 3.48 H new ATOM 0 HZ3 LYS A 71 6.404 -10.070 -5.793 1.00 3.48 H new ATOM 1129 N ALA A 72 8.449 -7.065 -7.521 1.00 0.32 N ATOM 1130 CA ALA A 72 9.831 -7.581 -7.659 1.00 0.63 C ATOM 1131 C ALA A 72 10.893 -6.602 -7.050 1.00 0.49 C ATOM 1132 O ALA A 72 11.818 -7.003 -6.365 1.00 0.70 O ATOM 1133 CB ALA A 72 9.929 -7.820 -9.163 1.00 0.92 C ATOM 0 H ALA A 72 7.905 -7.054 -8.384 1.00 0.32 H new ATOM 0 HA ALA A 72 10.044 -8.491 -7.097 1.00 0.63 H new ATOM 0 HB1 ALA A 72 10.918 -8.209 -9.406 1.00 0.92 H new ATOM 0 HB2 ALA A 72 9.171 -8.542 -9.467 1.00 0.92 H new ATOM 0 HB3 ALA A 72 9.768 -6.881 -9.692 1.00 0.92 H new ATOM 1139 N TYR A 73 10.734 -5.340 -7.312 1.00 0.26 N ATOM 1140 CA TYR A 73 11.678 -4.334 -6.776 1.00 0.20 C ATOM 1141 C TYR A 73 11.672 -4.419 -5.261 1.00 0.06 C ATOM 1142 O TYR A 73 12.647 -4.776 -4.634 1.00 0.15 O ATOM 1143 CB TYR A 73 11.228 -2.989 -7.198 1.00 0.21 C ATOM 1144 CG TYR A 73 12.113 -1.966 -6.525 1.00 0.19 C ATOM 1145 CD1 TYR A 73 13.408 -1.847 -6.962 1.00 0.71 C ATOM 1146 CD2 TYR A 73 11.628 -1.146 -5.525 1.00 0.78 C ATOM 1147 CE1 TYR A 73 14.220 -0.898 -6.405 1.00 0.67 C ATOM 1148 CE2 TYR A 73 12.456 -0.195 -4.986 1.00 0.82 C ATOM 1149 CZ TYR A 73 13.741 -0.081 -5.435 1.00 0.24 C ATOM 1150 OH TYR A 73 14.588 0.871 -4.949 1.00 0.30 O ATOM 0 H TYR A 73 9.979 -4.959 -7.883 1.00 0.26 H new ATOM 0 HA TYR A 73 12.685 -4.518 -7.150 1.00 0.20 H new ATOM 0 HB2 TYR A 73 11.288 -2.890 -8.282 1.00 0.21 H new ATOM 0 HB3 TYR A 73 10.186 -2.832 -6.921 1.00 0.21 H new ATOM 0 HD1 TYR A 73 13.783 -2.497 -7.739 1.00 0.71 H new ATOM 0 HD2 TYR A 73 10.612 -1.252 -5.173 1.00 0.78 H new ATOM 0 HE1 TYR A 73 15.243 -0.799 -6.738 1.00 0.67 H new ATOM 0 HE2 TYR A 73 12.093 0.462 -4.209 1.00 0.82 H new ATOM 0 HH TYR A 73 15.266 1.081 -5.625 1.00 0.30 H new ATOM 1160 N ILE A 74 10.525 -4.082 -4.746 1.00 0.12 N ATOM 1161 CA ILE A 74 10.257 -4.074 -3.291 1.00 0.10 C ATOM 1162 C ILE A 74 10.820 -5.392 -2.707 1.00 0.16 C ATOM 1163 O ILE A 74 11.652 -5.378 -1.834 1.00 0.32 O ATOM 1164 CB ILE A 74 8.731 -3.949 -3.100 1.00 0.20 C ATOM 1165 CG1 ILE A 74 8.150 -2.645 -3.673 1.00 0.19 C ATOM 1166 CG2 ILE A 74 8.527 -3.793 -1.610 1.00 0.30 C ATOM 1167 CD1 ILE A 74 6.613 -2.808 -3.789 1.00 0.26 C ATOM 0 H ILE A 74 9.724 -3.798 -5.310 1.00 0.12 H new ATOM 0 HA ILE A 74 10.733 -3.241 -2.774 1.00 0.10 H new ATOM 0 HB ILE A 74 8.261 -4.806 -3.582 1.00 0.20 H new ATOM 0 HG12 ILE A 74 8.395 -1.803 -3.025 1.00 0.19 H new ATOM 0 HG13 ILE A 74 8.584 -2.433 -4.650 1.00 0.19 H new ATOM 0 HG21 ILE A 74 7.462 -3.698 -1.396 1.00 0.30 H new ATOM 0 HG22 ILE A 74 8.924 -4.668 -1.095 1.00 0.30 H new ATOM 0 HG23 ILE A 74 9.048 -2.900 -1.263 1.00 0.30 H new ATOM 0 HD11 ILE A 74 6.180 -1.893 -4.194 1.00 0.26 H new ATOM 0 HD12 ILE A 74 6.385 -3.642 -4.452 1.00 0.26 H new ATOM 0 HD13 ILE A 74 6.192 -3.003 -2.803 1.00 0.26 H new ATOM 1179 N ASP A 75 10.338 -6.481 -3.232 1.00 0.30 N ATOM 1180 CA ASP A 75 10.706 -7.871 -2.869 1.00 0.55 C ATOM 1181 C ASP A 75 12.229 -8.161 -2.946 1.00 0.63 C ATOM 1182 O ASP A 75 12.750 -9.119 -2.398 1.00 1.24 O ATOM 1183 CB ASP A 75 9.823 -8.761 -3.861 1.00 0.79 C ATOM 1184 CG ASP A 75 8.276 -8.728 -3.733 1.00 1.38 C ATOM 1185 OD1 ASP A 75 7.819 -7.961 -2.909 1.00 1.37 O ATOM 1186 OD2 ASP A 75 7.625 -9.474 -4.476 1.00 2.37 O ATOM 0 H ASP A 75 9.635 -6.450 -3.970 1.00 0.30 H new ATOM 0 HA ASP A 75 10.499 -8.093 -1.822 1.00 0.55 H new ATOM 0 HB2 ASP A 75 10.074 -8.465 -4.879 1.00 0.79 H new ATOM 0 HB3 ASP A 75 10.140 -9.797 -3.743 1.00 0.79 H new ATOM 1191 N LYS A 76 12.933 -7.334 -3.659 1.00 0.14 N ATOM 1192 CA LYS A 76 14.410 -7.551 -3.756 1.00 0.13 C ATOM 1193 C LYS A 76 15.062 -6.610 -2.776 1.00 0.22 C ATOM 1194 O LYS A 76 16.006 -6.966 -2.089 1.00 0.35 O ATOM 1195 CB LYS A 76 14.834 -7.329 -5.181 1.00 0.17 C ATOM 1196 CG LYS A 76 16.271 -7.926 -5.335 1.00 0.35 C ATOM 1197 CD LYS A 76 16.367 -9.526 -5.303 1.00 0.63 C ATOM 1198 CE LYS A 76 16.064 -10.237 -3.940 1.00 1.78 C ATOM 1199 NZ LYS A 76 14.605 -10.619 -3.849 1.00 2.49 N ATOM 0 H LYS A 76 12.566 -6.532 -4.171 1.00 0.14 H new ATOM 0 HA LYS A 76 14.712 -8.566 -3.498 1.00 0.13 H new ATOM 0 HB2 LYS A 76 14.141 -7.813 -5.868 1.00 0.17 H new ATOM 0 HB3 LYS A 76 14.831 -6.266 -5.422 1.00 0.17 H new ATOM 0 HG2 LYS A 76 16.692 -7.574 -6.277 1.00 0.35 H new ATOM 0 HG3 LYS A 76 16.898 -7.527 -4.537 1.00 0.35 H new ATOM 0 HD2 LYS A 76 15.678 -9.920 -6.050 1.00 0.63 H new ATOM 0 HD3 LYS A 76 17.372 -9.810 -5.615 1.00 0.63 H new ATOM 0 HE2 LYS A 76 16.685 -11.128 -3.843 1.00 1.78 H new ATOM 0 HE3 LYS A 76 16.324 -9.576 -3.114 1.00 1.78 H new ATOM 0 HZ1 LYS A 76 14.521 -11.578 -3.456 1.00 2.49 H new ATOM 0 HZ2 LYS A 76 14.108 -9.947 -3.230 1.00 2.49 H new ATOM 0 HZ3 LYS A 76 14.180 -10.595 -4.798 1.00 2.49 H new ATOM 1213 N VAL A 77 14.536 -5.418 -2.746 1.00 0.16 N ATOM 1214 CA VAL A 77 15.045 -4.373 -1.815 1.00 0.16 C ATOM 1215 C VAL A 77 14.946 -5.064 -0.449 1.00 0.22 C ATOM 1216 O VAL A 77 15.914 -5.092 0.288 1.00 0.28 O ATOM 1217 CB VAL A 77 14.125 -3.124 -1.860 1.00 0.18 C ATOM 1218 CG1 VAL A 77 14.491 -2.191 -0.684 1.00 0.27 C ATOM 1219 CG2 VAL A 77 14.247 -2.362 -3.211 1.00 0.16 C ATOM 0 H VAL A 77 13.761 -5.119 -3.338 1.00 0.16 H new ATOM 0 HA VAL A 77 16.050 -4.024 -2.053 1.00 0.16 H new ATOM 0 HB VAL A 77 13.090 -3.453 -1.771 1.00 0.18 H new ATOM 0 HG11 VAL A 77 13.850 -1.309 -0.706 1.00 0.27 H new ATOM 0 HG12 VAL A 77 14.348 -2.720 0.258 1.00 0.27 H new ATOM 0 HG13 VAL A 77 15.533 -1.884 -0.774 1.00 0.27 H new ATOM 0 HG21 VAL A 77 13.587 -1.495 -3.201 1.00 0.16 H new ATOM 0 HG22 VAL A 77 15.277 -2.033 -3.351 1.00 0.16 H new ATOM 0 HG23 VAL A 77 13.963 -3.024 -4.029 1.00 0.16 H new ATOM 1229 N GLU A 78 13.780 -5.613 -0.174 1.00 0.22 N ATOM 1230 CA GLU A 78 13.532 -6.320 1.105 1.00 0.32 C ATOM 1231 C GLU A 78 14.768 -7.111 1.550 1.00 0.29 C ATOM 1232 O GLU A 78 15.203 -6.979 2.680 1.00 0.49 O ATOM 1233 CB GLU A 78 12.272 -7.184 0.839 1.00 0.45 C ATOM 1234 CG GLU A 78 11.173 -6.653 1.805 1.00 0.57 C ATOM 1235 CD GLU A 78 11.549 -6.958 3.243 1.00 1.19 C ATOM 1236 OE1 GLU A 78 11.362 -8.100 3.598 1.00 2.58 O ATOM 1237 OE2 GLU A 78 12.013 -6.076 3.952 1.00 0.82 O ATOM 0 H GLU A 78 12.979 -5.593 -0.806 1.00 0.22 H new ATOM 0 HA GLU A 78 13.351 -5.648 1.944 1.00 0.32 H new ATOM 0 HB2 GLU A 78 11.953 -7.098 -0.200 1.00 0.45 H new ATOM 0 HB3 GLU A 78 12.477 -8.239 1.023 1.00 0.45 H new ATOM 0 HG2 GLU A 78 11.051 -5.578 1.673 1.00 0.57 H new ATOM 0 HG3 GLU A 78 10.215 -7.114 1.566 1.00 0.57 H new ATOM 1244 N GLU A 79 15.283 -7.905 0.643 1.00 0.21 N ATOM 1245 CA GLU A 79 16.493 -8.732 0.919 1.00 0.34 C ATOM 1246 C GLU A 79 17.704 -7.789 1.086 1.00 0.14 C ATOM 1247 O GLU A 79 18.390 -7.838 2.089 1.00 0.22 O ATOM 1248 CB GLU A 79 16.735 -9.686 -0.262 1.00 0.56 C ATOM 1249 CG GLU A 79 15.669 -10.849 -0.332 1.00 0.68 C ATOM 1250 CD GLU A 79 16.039 -11.938 -1.379 1.00 0.61 C ATOM 1251 OE1 GLU A 79 17.216 -12.238 -1.416 1.00 0.84 O ATOM 1252 OE2 GLU A 79 15.154 -12.405 -2.078 1.00 1.53 O ATOM 0 H GLU A 79 14.904 -8.015 -0.298 1.00 0.21 H new ATOM 0 HA GLU A 79 16.353 -9.318 1.828 1.00 0.34 H new ATOM 0 HB2 GLU A 79 16.711 -9.119 -1.193 1.00 0.56 H new ATOM 0 HB3 GLU A 79 17.733 -10.117 -0.177 1.00 0.56 H new ATOM 0 HG2 GLU A 79 15.577 -11.312 0.651 1.00 0.68 H new ATOM 0 HG3 GLU A 79 14.694 -10.429 -0.579 1.00 0.68 H new ATOM 1259 N LEU A 80 17.954 -6.960 0.104 1.00 0.11 N ATOM 1260 CA LEU A 80 19.122 -6.012 0.219 1.00 0.18 C ATOM 1261 C LEU A 80 19.215 -5.366 1.592 1.00 0.23 C ATOM 1262 O LEU A 80 20.225 -5.425 2.256 1.00 0.25 O ATOM 1263 CB LEU A 80 18.997 -4.892 -0.779 1.00 0.25 C ATOM 1264 CG LEU A 80 19.478 -5.287 -2.148 1.00 0.22 C ATOM 1265 CD1 LEU A 80 19.413 -4.053 -3.000 1.00 0.36 C ATOM 1266 CD2 LEU A 80 20.929 -5.752 -2.021 1.00 0.28 C ATOM 0 H LEU A 80 17.416 -6.893 -0.760 1.00 0.11 H new ATOM 0 HA LEU A 80 20.011 -6.616 0.036 1.00 0.18 H new ATOM 0 HB2 LEU A 80 17.955 -4.578 -0.840 1.00 0.25 H new ATOM 0 HB3 LEU A 80 19.569 -4.032 -0.430 1.00 0.25 H new ATOM 0 HG LEU A 80 18.878 -6.086 -2.584 1.00 0.22 H new ATOM 0 HD11 LEU A 80 19.754 -4.289 -4.008 1.00 0.36 H new ATOM 0 HD12 LEU A 80 18.385 -3.692 -3.039 1.00 0.36 H new ATOM 0 HD13 LEU A 80 20.053 -3.281 -2.572 1.00 0.36 H new ATOM 0 HD21 LEU A 80 21.304 -6.045 -3.001 1.00 0.28 H new ATOM 0 HD22 LEU A 80 21.539 -4.939 -1.628 1.00 0.28 H new ATOM 0 HD23 LEU A 80 20.980 -6.604 -1.343 1.00 0.28 H new ATOM 1278 N LYS A 81 18.112 -4.773 1.924 1.00 0.30 N ATOM 1279 CA LYS A 81 17.907 -4.054 3.217 1.00 0.44 C ATOM 1280 C LYS A 81 18.602 -4.786 4.352 1.00 0.48 C ATOM 1281 O LYS A 81 19.234 -4.232 5.221 1.00 0.55 O ATOM 1282 CB LYS A 81 16.426 -4.003 3.417 1.00 0.46 C ATOM 1283 CG LYS A 81 16.044 -3.080 4.555 1.00 0.82 C ATOM 1284 CD LYS A 81 14.583 -3.402 4.920 1.00 0.54 C ATOM 1285 CE LYS A 81 14.208 -2.734 6.238 1.00 0.27 C ATOM 1286 NZ LYS A 81 15.097 -3.302 7.282 1.00 2.09 N ATOM 0 H LYS A 81 17.292 -4.754 1.318 1.00 0.30 H new ATOM 0 HA LYS A 81 18.334 -3.051 3.200 1.00 0.44 H new ATOM 0 HB2 LYS A 81 15.947 -3.665 2.498 1.00 0.46 H new ATOM 0 HB3 LYS A 81 16.052 -5.006 3.621 1.00 0.46 H new ATOM 0 HG2 LYS A 81 16.699 -3.233 5.413 1.00 0.82 H new ATOM 0 HG3 LYS A 81 16.147 -2.037 4.257 1.00 0.82 H new ATOM 0 HD2 LYS A 81 13.919 -3.057 4.128 1.00 0.54 H new ATOM 0 HD3 LYS A 81 14.450 -4.481 5.000 1.00 0.54 H new ATOM 0 HE2 LYS A 81 14.333 -1.653 6.172 1.00 0.27 H new ATOM 0 HE3 LYS A 81 13.162 -2.920 6.480 1.00 0.27 H new ATOM 0 HZ1 LYS A 81 15.096 -2.679 8.115 1.00 2.09 H new ATOM 0 HZ2 LYS A 81 14.754 -4.245 7.555 1.00 2.09 H new ATOM 0 HZ3 LYS A 81 16.065 -3.380 6.909 1.00 2.09 H new ATOM 1300 N LYS A 82 18.445 -6.064 4.276 1.00 0.44 N ATOM 1301 CA LYS A 82 19.013 -6.990 5.254 1.00 0.50 C ATOM 1302 C LYS A 82 20.463 -7.335 4.938 1.00 0.48 C ATOM 1303 O LYS A 82 21.334 -7.170 5.765 1.00 0.68 O ATOM 1304 CB LYS A 82 18.104 -8.188 5.228 1.00 0.49 C ATOM 1305 CG LYS A 82 16.651 -7.749 5.563 1.00 0.93 C ATOM 1306 CD LYS A 82 15.799 -9.019 5.473 1.00 0.68 C ATOM 1307 CE LYS A 82 14.324 -8.802 5.808 1.00 1.71 C ATOM 1308 NZ LYS A 82 13.683 -7.987 4.741 1.00 1.92 N ATOM 0 H LYS A 82 17.916 -6.521 3.533 1.00 0.44 H new ATOM 0 HA LYS A 82 19.059 -6.555 6.252 1.00 0.50 H new ATOM 0 HB2 LYS A 82 18.135 -8.659 4.245 1.00 0.49 H new ATOM 0 HB3 LYS A 82 18.445 -8.931 5.949 1.00 0.49 H new ATOM 0 HG2 LYS A 82 16.595 -7.311 6.559 1.00 0.93 H new ATOM 0 HG3 LYS A 82 16.300 -6.992 4.862 1.00 0.93 H new ATOM 0 HD2 LYS A 82 15.876 -9.425 4.465 1.00 0.68 H new ATOM 0 HD3 LYS A 82 16.209 -9.768 6.151 1.00 0.68 H new ATOM 0 HE2 LYS A 82 13.817 -9.762 5.900 1.00 1.71 H new ATOM 0 HE3 LYS A 82 14.230 -8.298 6.770 1.00 1.71 H new ATOM 0 HZ1 LYS A 82 13.248 -7.142 5.164 1.00 1.92 H new ATOM 0 HZ2 LYS A 82 14.401 -7.696 4.048 1.00 1.92 H new ATOM 0 HZ3 LYS A 82 12.951 -8.552 4.265 1.00 1.92 H new ATOM 1322 N LYS A 83 20.671 -7.804 3.742 1.00 0.26 N ATOM 1323 CA LYS A 83 22.021 -8.204 3.219 1.00 0.20 C ATOM 1324 C LYS A 83 23.056 -7.175 3.628 1.00 0.21 C ATOM 1325 O LYS A 83 24.090 -7.468 4.191 1.00 0.26 O ATOM 1326 CB LYS A 83 21.978 -8.268 1.715 1.00 0.13 C ATOM 1327 CG LYS A 83 21.246 -9.514 1.213 1.00 0.16 C ATOM 1328 CD LYS A 83 20.741 -9.159 -0.205 1.00 0.20 C ATOM 1329 CE LYS A 83 20.598 -10.396 -1.088 1.00 0.63 C ATOM 1330 NZ LYS A 83 19.687 -11.378 -0.435 1.00 0.93 N ATOM 0 H LYS A 83 19.921 -7.936 3.063 1.00 0.26 H new ATOM 0 HA LYS A 83 22.285 -9.178 3.630 1.00 0.20 H new ATOM 0 HB2 LYS A 83 21.483 -7.377 1.329 1.00 0.13 H new ATOM 0 HB3 LYS A 83 22.995 -8.263 1.323 1.00 0.13 H new ATOM 0 HG2 LYS A 83 21.913 -10.376 1.187 1.00 0.16 H new ATOM 0 HG3 LYS A 83 20.416 -9.773 1.871 1.00 0.16 H new ATOM 0 HD2 LYS A 83 19.778 -8.653 -0.131 1.00 0.20 H new ATOM 0 HD3 LYS A 83 21.434 -8.459 -0.672 1.00 0.20 H new ATOM 0 HE2 LYS A 83 20.204 -10.114 -2.064 1.00 0.63 H new ATOM 0 HE3 LYS A 83 21.575 -10.849 -1.257 1.00 0.63 H new ATOM 0 HZ1 LYS A 83 20.198 -12.269 -0.270 1.00 0.93 H new ATOM 0 HZ2 LYS A 83 19.357 -10.995 0.474 1.00 0.93 H new ATOM 0 HZ3 LYS A 83 18.869 -11.557 -1.052 1.00 0.93 H new ATOM 1344 N TYR A 84 22.697 -5.965 3.305 1.00 0.21 N ATOM 1345 CA TYR A 84 23.611 -4.847 3.647 1.00 0.23 C ATOM 1346 C TYR A 84 23.184 -4.366 5.038 1.00 0.07 C ATOM 1347 O TYR A 84 24.114 -4.144 5.796 1.00 0.09 O ATOM 1348 CB TYR A 84 23.520 -3.834 2.430 1.00 0.32 C ATOM 1349 CG TYR A 84 23.969 -4.783 1.302 1.00 0.33 C ATOM 1350 CD1 TYR A 84 25.316 -5.033 1.159 1.00 0.85 C ATOM 1351 CD2 TYR A 84 23.079 -5.458 0.474 1.00 0.95 C ATOM 1352 CE1 TYR A 84 25.766 -5.933 0.228 1.00 0.93 C ATOM 1353 CE2 TYR A 84 23.542 -6.362 -0.450 1.00 0.88 C ATOM 1354 CZ TYR A 84 24.888 -6.600 -0.578 1.00 0.37 C ATOM 1355 OH TYR A 84 25.388 -7.472 -1.516 1.00 0.44 O ATOM 0 H TYR A 84 21.832 -5.707 2.831 1.00 0.21 H new ATOM 0 HA TYR A 84 24.673 -5.069 3.748 1.00 0.23 H new ATOM 0 HB2 TYR A 84 22.513 -3.445 2.279 1.00 0.32 H new ATOM 0 HB3 TYR A 84 24.180 -2.974 2.546 1.00 0.32 H new ATOM 0 HD1 TYR A 84 26.025 -4.514 1.787 1.00 0.85 H new ATOM 0 HD2 TYR A 84 22.019 -5.270 0.558 1.00 0.95 H new ATOM 0 HE1 TYR A 84 26.826 -6.117 0.131 1.00 0.93 H new ATOM 0 HE2 TYR A 84 22.842 -6.890 -1.081 1.00 0.88 H new ATOM 0 HH TYR A 84 24.651 -7.980 -1.916 1.00 0.44 H new ATOM 1365 N GLY A 85 21.936 -4.159 5.432 1.00 0.08 N ATOM 1366 CA GLY A 85 21.791 -3.727 6.882 1.00 0.25 C ATOM 1367 C GLY A 85 21.213 -2.414 7.311 1.00 0.39 C ATOM 1368 O GLY A 85 21.924 -1.544 7.790 1.00 0.33 O ATOM 0 H GLY A 85 21.085 -4.257 4.878 1.00 0.08 H new ATOM 0 HA2 GLY A 85 21.193 -4.497 7.371 1.00 0.25 H new ATOM 0 HA3 GLY A 85 22.790 -3.776 7.315 1.00 0.25 H new ATOM 1372 N ILE A 86 19.943 -2.368 7.065 1.00 0.61 N ATOM 1373 CA ILE A 86 19.036 -1.281 7.355 1.00 0.84 C ATOM 1374 C ILE A 86 17.736 -1.982 7.871 1.00 1.24 C ATOM 1375 O ILE A 86 17.558 -3.174 7.665 1.00 1.91 O ATOM 1376 CB ILE A 86 18.918 -0.485 6.011 1.00 0.56 C ATOM 1377 CG1 ILE A 86 17.469 -0.291 5.532 1.00 0.56 C ATOM 1378 CG2 ILE A 86 19.754 -1.044 4.833 1.00 0.52 C ATOM 1379 CD1 ILE A 86 17.074 1.203 5.519 1.00 0.72 C ATOM 1380 OXT ILE A 86 16.923 -1.305 8.463 1.00 1.35 O ATOM 0 H ILE A 86 19.465 -3.151 6.619 1.00 0.61 H new ATOM 0 HA ILE A 86 19.327 -0.558 8.117 1.00 0.84 H new ATOM 0 HB ILE A 86 19.342 0.480 6.289 1.00 0.56 H new ATOM 0 HG12 ILE A 86 17.356 -0.707 4.531 1.00 0.56 H new ATOM 0 HG13 ILE A 86 16.792 -0.842 6.184 1.00 0.56 H new ATOM 0 HG21 ILE A 86 19.602 -0.422 3.951 1.00 0.52 H new ATOM 0 HG22 ILE A 86 20.810 -1.040 5.102 1.00 0.52 H new ATOM 0 HG23 ILE A 86 19.439 -2.065 4.615 1.00 0.52 H new ATOM 0 HD11 ILE A 86 16.044 1.304 5.176 1.00 0.72 H new ATOM 0 HD12 ILE A 86 17.163 1.612 6.526 1.00 0.72 H new ATOM 0 HD13 ILE A 86 17.736 1.749 4.846 1.00 0.72 H new TER 1392 ILE A 86 HETATM 1393 N1A COA A 87 16.863 2.027 -6.622 1.00 0.21 N HETATM 1394 C2A COA A 87 17.570 1.772 -7.709 1.00 0.23 C HETATM 1395 N3A COA A 87 18.332 2.580 -8.431 1.00 0.27 N HETATM 1396 C4A COA A 87 18.337 3.823 -7.910 1.00 0.21 C HETATM 1397 C5A COA A 87 17.664 4.240 -6.799 1.00 0.17 C HETATM 1398 C6A COA A 87 16.893 3.266 -6.144 1.00 0.20 C HETATM 1399 N6A COA A 87 16.157 3.473 -5.075 1.00 0.41 N HETATM 1400 N7A COA A 87 17.920 5.585 -6.559 1.00 0.31 N HETATM 1401 C8A COA A 87 18.727 5.920 -7.529 1.00 0.36 C HETATM 1402 N9A COA A 87 19.020 4.908 -8.387 1.00 0.34 N HETATM 1403 C1B COA A 87 19.863 4.942 -9.596 1.00 0.52 C HETATM 1404 C2B COA A 87 20.088 6.357 -10.120 1.00 0.77 C HETATM 1405 O2B COA A 87 18.979 6.721 -10.953 1.00 1.04 O HETATM 1406 C3B COA A 87 21.372 6.170 -10.900 1.00 0.62 C HETATM 1407 O3B COA A 87 21.131 5.428 -12.153 1.00 0.54 O HETATM 1408 P3B COA A 87 20.882 6.076 -13.629 1.00 0.87 P HETATM 1409 O7A COA A 87 22.128 6.791 -13.960 1.00 1.80 O HETATM 1410 O8A COA A 87 19.679 6.902 -13.390 1.00 2.39 O HETATM 1411 O9A COA A 87 20.564 4.909 -14.480 1.00 0.87 O HETATM 1412 C4B COA A 87 22.118 5.275 -9.875 1.00 0.60 C HETATM 1413 O4B COA A 87 21.145 4.439 -9.249 1.00 0.55 O HETATM 1414 C5B COA A 87 22.840 6.023 -8.697 1.00 0.66 C HETATM 1415 O5B COA A 87 22.002 6.825 -7.822 1.00 0.79 O HETATM 1416 P1A COA A 87 22.246 8.405 -7.540 1.00 0.97 P HETATM 1417 O1A COA A 87 23.660 8.554 -7.134 1.00 2.30 O HETATM 1418 O2A COA A 87 21.729 9.166 -8.691 1.00 1.27 O HETATM 1419 O3A COA A 87 21.231 8.656 -6.376 1.00 2.26 O HETATM 1420 P2A COA A 87 21.841 9.167 -5.057 1.00 2.54 P HETATM 1421 O4A COA A 87 22.771 10.292 -5.267 1.00 2.82 O HETATM 1422 O5A COA A 87 20.659 9.330 -4.190 1.00 3.17 O HETATM 1423 O6A COA A 87 22.568 7.823 -4.521 1.00 2.11 O HETATM 1424 CBP COA A 87 22.894 5.401 -3.969 1.00 2.14 C HETATM 1425 CCP COA A 87 21.914 6.561 -4.249 1.00 2.58 C HETATM 1426 CDP COA A 87 23.549 5.106 -5.307 1.00 1.62 C HETATM 1427 CEP COA A 87 21.984 4.182 -3.577 1.00 2.11 C HETATM 1428 CAP COA A 87 23.911 5.966 -2.835 1.00 2.55 C HETATM 1429 OAP COA A 87 24.729 6.917 -3.518 1.00 2.48 O HETATM 1430 C9P COA A 87 24.511 5.009 -1.740 1.00 2.98 C HETATM 1431 O9P COA A 87 25.027 5.425 -0.714 1.00 4.12 O HETATM 1432 N8P COA A 87 24.443 3.729 -1.974 1.00 2.12 N HETATM 1433 C7P COA A 87 24.966 2.723 -0.999 1.00 2.49 C HETATM 1434 C6P COA A 87 26.390 2.219 -1.330 1.00 1.57 C HETATM 1435 C5P COA A 87 27.346 3.369 -1.556 1.00 0.99 C HETATM 1436 O5P COA A 87 28.300 3.632 -0.853 1.00 1.84 O HETATM 1437 N4P COA A 87 26.934 3.972 -2.613 1.00 0.57 N HETATM 1438 C3P COA A 87 27.477 5.150 -3.302 1.00 1.90 C HETATM 1439 C2P COA A 87 26.664 4.983 -4.567 1.00 2.14 C HETATM 1440 S1P COA A 87 26.892 3.354 -5.385 1.00 3.25 S HETATM 0 HO2A COA A 87 19.311 7.135 -11.777 1.00 1.04 H new HETATM 0 H62A COA A 87 16.127 4.399 -4.648 1.00 0.41 H new HETATM 0 H61A COA A 87 15.616 2.708 -4.672 1.00 0.41 H new HETATM 0 H52A COA A 87 23.355 5.281 -8.088 1.00 0.66 H new HETATM 0 H51A COA A 87 23.605 6.672 -9.124 1.00 0.66 H new HETATM 0 H143 COA A 87 21.398 4.435 -2.693 1.00 2.11 H new HETATM 0 H142 COA A 87 21.312 3.949 -4.403 1.00 2.11 H new HETATM 0 H141 COA A 87 22.609 3.315 -3.362 1.00 2.11 H new HETATM 0 H133 COA A 87 22.786 4.821 -6.031 1.00 1.62 H new HETATM 0 H132 COA A 87 24.070 5.995 -5.661 1.00 1.62 H new HETATM 0 H131 COA A 87 24.262 4.290 -5.191 1.00 1.62 H new HETATM 0 H122 COA A 87 21.253 6.682 -3.390 1.00 2.58 H new HETATM 0 H121 COA A 87 21.286 6.297 -5.100 1.00 2.58 H new HETATM 0 HO1 COA A 87 24.160 7.540 -4.016 1.00 2.48 H new HETATM 0 HN8 COA A 87 24.022 3.405 -2.845 1.00 2.12 H new HETATM 0 HN4 COA A 87 26.100 3.570 -3.040 1.00 0.57 H new HETATM 0 H8A COA A 87 19.131 6.926 -7.641 1.00 0.36 H new HETATM 0 H72 COA A 87 24.969 3.164 -0.002 1.00 2.49 H new HETATM 0 H71 COA A 87 24.286 1.871 -0.969 1.00 2.49 H new HETATM 0 H62 COA A 87 26.755 1.596 -0.514 1.00 1.57 H new HETATM 0 H61 COA A 87 26.357 1.591 -2.220 1.00 1.57 H new HETATM 0 H4B COA A 87 22.888 4.763 -10.453 1.00 0.60 H new HETATM 0 H3B COA A 87 21.879 7.083 -11.212 1.00 0.62 H new HETATM 0 H32 COA A 87 27.280 6.087 -2.780 1.00 1.90 H new HETATM 0 H31 COA A 87 28.553 5.098 -3.468 1.00 1.90 H new HETATM 0 H2B COA A 87 20.160 7.148 -9.373 1.00 0.77 H new HETATM 0 H2A COA A 87 17.518 0.743 -8.065 1.00 0.23 H new HETATM 0 H22 COA A 87 25.608 5.115 -4.330 1.00 2.14 H new HETATM 0 H21 COA A 87 26.934 5.772 -5.268 1.00 2.14 H new HETATM 0 H1B COA A 87 19.354 4.357 -10.362 1.00 0.52 H new HETATM 0 H10 COA A 87 23.361 6.453 -2.030 1.00 2.55 H new HETATM 1472 C1 PLM A 88 25.312 2.511 -5.747 1.00 2.57 C HETATM 1473 O2 PLM A 88 24.931 2.285 -6.879 1.00 3.63 O HETATM 1474 C2 PLM A 88 24.473 2.134 -4.510 1.00 0.80 C HETATM 1475 C3 PLM A 88 23.555 0.859 -4.384 1.00 0.75 C HETATM 1476 C4 PLM A 88 22.275 1.008 -5.345 1.00 0.61 C HETATM 1477 C5 PLM A 88 21.395 -0.223 -5.537 1.00 0.86 C HETATM 1478 C6 PLM A 88 20.243 0.122 -6.495 1.00 0.65 C HETATM 1479 C7 PLM A 88 20.787 0.375 -7.908 1.00 0.46 C HETATM 1480 C8 PLM A 88 21.249 1.847 -8.116 1.00 1.11 C HETATM 1481 C9 PLM A 88 22.681 1.852 -8.688 1.00 1.48 C HETATM 1482 CA PLM A 88 22.582 1.323 -10.085 1.00 0.72 C HETATM 1483 CB PLM A 88 23.918 0.919 -10.620 1.00 1.03 C HETATM 1484 CC PLM A 88 23.622 0.158 -11.900 1.00 1.46 C HETATM 1485 CD PLM A 88 23.027 -1.304 -11.605 1.00 0.78 C HETATM 1486 CE PLM A 88 23.945 -2.173 -10.854 1.00 0.35 C HETATM 1487 CF PLM A 88 25.431 -2.230 -11.403 1.00 0.13 C HETATM 1488 CG PLM A 88 25.661 -3.505 -12.182 1.00 0.59 C HETATM 0 HG3 PLM A 88 25.491 -4.364 -11.533 1.00 0.59 H new HETATM 0 HG2 PLM A 88 24.971 -3.546 -13.025 1.00 0.59 H new HETATM 0 HG1 PLM A 88 26.686 -3.526 -12.551 1.00 0.59 H new HETATM 0 HF2 PLM A 88 25.622 -1.368 -12.042 1.00 0.13 H new HETATM 0 HF1 PLM A 88 26.134 -2.173 -10.572 1.00 0.13 H new HETATM 0 HE2 PLM A 88 23.971 -1.835 -9.818 1.00 0.35 H new HETATM 0 HE1 PLM A 88 23.539 -3.184 -10.850 1.00 0.35 H new HETATM 0 HD2 PLM A 88 22.097 -1.202 -11.046 1.00 0.78 H new HETATM 0 HD1 PLM A 88 22.779 -1.784 -12.552 1.00 0.78 H new HETATM 0 HC2 PLM A 88 22.912 0.724 -12.503 1.00 1.46 H new HETATM 0 HC1 PLM A 88 24.536 0.066 -12.487 1.00 1.46 H new HETATM 0 HB2 PLM A 88 24.543 1.790 -10.816 1.00 1.03 H new HETATM 0 HB1 PLM A 88 24.455 0.295 -9.906 1.00 1.03 H new HETATM 0 HA2 PLM A 88 21.909 0.466 -10.103 1.00 0.72 H new HETATM 0 HA1 PLM A 88 22.146 2.084 -10.732 1.00 0.72 H new HETATM 0 H92 PLM A 88 23.097 2.859 -8.683 1.00 1.48 H new HETATM 0 H91 PLM A 88 23.342 1.231 -8.084 1.00 1.48 H new HETATM 0 H82 PLM A 88 20.571 2.361 -8.797 1.00 1.11 H new HETATM 0 H81 PLM A 88 21.221 2.387 -7.170 1.00 1.11 H new HETATM 0 H72 PLM A 88 21.626 -0.295 -8.096 1.00 0.46 H new HETATM 0 H71 PLM A 88 20.016 0.133 -8.639 1.00 0.46 H new HETATM 0 H62 PLM A 88 19.521 -0.694 -6.516 1.00 0.65 H new HETATM 0 H61 PLM A 88 19.715 1.006 -6.137 1.00 0.65 H new HETATM 0 H52 PLM A 88 21.984 -1.047 -5.940 1.00 0.86 H new HETATM 0 H51 PLM A 88 20.999 -0.554 -4.577 1.00 0.86 H new HETATM 0 H42 PLM A 88 21.651 1.811 -4.952 1.00 0.61 H new HETATM 0 H41 PLM A 88 22.626 1.328 -6.326 1.00 0.61 H new HETATM 0 H32 PLM A 88 24.120 -0.034 -4.652 1.00 0.75 H new HETATM 0 H31 PLM A 88 23.232 0.734 -3.351 1.00 0.75 H new HETATM 0 H22 PLM A 88 25.177 2.077 -3.679 1.00 0.80 H new HETATM 0 H21 PLM A 88 23.823 2.988 -4.320 1.00 0.80 H new