USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 749 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 127 TYR OH : rot 180:sc= -0.466 USER MOD Set 1.2: A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -168:sc= -0.0131 (180deg=-0.142) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -163:sc= -0.0572 (180deg=-0.322) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 53 MET CE :methyl -153:sc= -0.0715 (180deg=-0.314) USER MOD Single : A 62 ASN : amide:sc= -1.08 K(o=-1.1,f=0.14) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -82:sc= 0.434 USER MOD Single : A 75 GLN : amide:sc= -0.0616 K(o=-0.062,f=-1.8!) USER MOD Single : A 81 THR OG1 : rot -159:sc= -0.473 USER MOD Single : A 84 GLN : amide:sc= -1.28 X(o=-1.3,f=-1.6) USER MOD Single : A 88 ASN : amide:sc= 0.114 K(o=0.11,f=-3.4!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.0355 X(o=-0.035,f=-0.13) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0343) USER MOD Single : A 106 LYS NZ :NH3+ 138:sc= -0.12 (180deg=-0.7) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.105 K(o=-0.1,f=-1.4!) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.0545 X(o=-0.054,f=0) USER MOD Single : A 120 SER OG : rot 28:sc= 0.301 USER MOD Single : A 121 ASN : amide:sc= -6.65! C(o=-6.7!,f=-12!) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.045 USER MOD Single : A 125 HIS : no HE2:sc= -0.15 K(o=-0.15,f=-1.3) USER MOD Single : A 130 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0914) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.212) USER MOD Single : A 142 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 144 HIS : no HD1:sc= -0.0277 X(o=-0.028,f=0) USER MOD Single : A 169 THR OG1 : rot 120:sc= -1.45 USER MOD Single : A 178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 21 N TYR A 40 26.232 20.427 87.067 1.00 33.41 N ATOM 22 CA TYR A 40 25.554 21.202 86.035 1.00 32.01 C ATOM 23 C TYR A 40 25.709 20.540 84.669 1.00 62.25 C ATOM 24 O TYR A 40 26.764 19.994 84.346 1.00 24.23 O ATOM 25 CB TYR A 40 26.109 22.626 85.990 1.00 52.43 C ATOM 26 CG TYR A 40 27.617 22.687 85.898 1.00 24.00 C ATOM 27 CD1 TYR A 40 28.255 22.772 84.668 1.00 52.41 C ATOM 28 CD2 TYR A 40 28.404 22.660 87.043 1.00 21.24 C ATOM 29 CE1 TYR A 40 29.633 22.826 84.579 1.00 61.42 C ATOM 30 CE2 TYR A 40 29.782 22.715 86.965 1.00 63.13 C ATOM 31 CZ TYR A 40 30.391 22.798 85.731 1.00 14.33 C ATOM 32 OH TYR A 40 31.764 22.853 85.647 1.00 22.21 O ATOM 0 HA TYR A 40 24.493 21.241 86.282 1.00 32.01 H new ATOM 0 HB2 TYR A 40 25.680 23.147 85.134 1.00 52.43 H new ATOM 0 HB3 TYR A 40 25.786 23.161 86.883 1.00 52.43 H new ATOM 0 HD1 TYR A 40 27.664 22.796 83.764 1.00 52.41 H new ATOM 0 HD2 TYR A 40 27.930 22.595 88.011 1.00 21.24 H new ATOM 0 HE1 TYR A 40 30.113 22.890 83.614 1.00 61.42 H new ATOM 0 HE2 TYR A 40 30.379 22.693 87.865 1.00 63.13 H new ATOM 0 HH TYR A 40 32.148 22.824 86.548 1.00 22.21 H new ATOM 41 N ARG A 41 24.649 20.595 83.869 1.00 61.43 N ATOM 42 CA ARG A 41 24.665 20.002 82.538 1.00 42.53 C ATOM 43 C ARG A 41 25.522 20.829 81.583 1.00 32.42 C ATOM 44 O ARG A 41 25.427 22.057 81.552 1.00 14.43 O ATOM 45 CB ARG A 41 23.241 19.886 81.990 1.00 25.13 C ATOM 46 CG ARG A 41 22.556 18.577 82.346 1.00 31.32 C ATOM 47 CD ARG A 41 21.893 18.648 83.713 1.00 72.14 C ATOM 48 NE ARG A 41 20.624 19.369 83.670 1.00 41.42 N ATOM 49 CZ ARG A 41 19.986 19.801 84.751 1.00 31.23 C ATOM 50 NH1 ARG A 41 20.497 19.586 85.956 1.00 13.53 N ATOM 51 NH2 ARG A 41 18.835 20.449 84.630 1.00 0.42 N ATOM 0 H ARG A 41 23.768 21.044 84.120 1.00 61.43 H new ATOM 0 HA ARG A 41 25.099 19.005 82.618 1.00 42.53 H new ATOM 0 HB2 ARG A 41 22.645 20.714 82.373 1.00 25.13 H new ATOM 0 HB3 ARG A 41 23.269 19.988 80.905 1.00 25.13 H new ATOM 0 HG2 ARG A 41 21.808 18.339 81.590 1.00 31.32 H new ATOM 0 HG3 ARG A 41 23.287 17.768 82.337 1.00 31.32 H new ATOM 0 HD2 ARG A 41 21.723 17.638 84.086 1.00 72.14 H new ATOM 0 HD3 ARG A 41 22.565 19.139 84.417 1.00 72.14 H new ATOM 0 HE ARG A 41 20.204 19.551 82.758 1.00 41.42 H new ATOM 0 HH11 ARG A 41 21.382 19.088 86.053 1.00 13.53 H new ATOM 0 HH12 ARG A 41 20.005 19.919 86.785 1.00 13.53 H new ATOM 0 HH21 ARG A 41 18.439 20.616 83.705 1.00 0.42 H new ATOM 0 HH22 ARG A 41 18.346 20.780 85.462 1.00 0.42 H new ATOM 62 N LYS A 42 26.360 20.149 80.808 1.00 24.31 N ATOM 63 CA LYS A 42 27.233 20.819 79.853 1.00 15.53 C ATOM 64 C LYS A 42 26.811 20.510 78.420 1.00 52.42 C ATOM 65 O LYS A 42 27.249 19.522 77.832 1.00 14.24 O ATOM 66 CB LYS A 42 28.686 20.390 80.071 1.00 32.22 C ATOM 67 CG LYS A 42 29.419 21.229 81.103 1.00 71.23 C ATOM 68 CD LYS A 42 30.926 21.087 80.968 1.00 71.50 C ATOM 69 CE LYS A 42 31.409 19.747 81.501 1.00 12.11 C ATOM 70 NZ LYS A 42 32.878 19.746 81.750 1.00 11.13 N ATOM 0 H LYS A 42 26.453 19.133 80.823 1.00 24.31 H new ATOM 0 HA LYS A 42 27.149 21.894 80.014 1.00 15.53 H new ATOM 0 HB2 LYS A 42 28.705 19.346 80.384 1.00 32.22 H new ATOM 0 HB3 LYS A 42 29.220 20.448 79.122 1.00 32.22 H new ATOM 0 HG2 LYS A 42 29.139 22.276 80.987 1.00 71.23 H new ATOM 0 HG3 LYS A 42 29.112 20.926 82.104 1.00 71.23 H new ATOM 0 HD2 LYS A 42 31.210 21.187 79.920 1.00 71.50 H new ATOM 0 HD3 LYS A 42 31.419 21.894 81.510 1.00 71.50 H new ATOM 0 HE2 LYS A 42 30.883 19.514 82.427 1.00 12.11 H new ATOM 0 HE3 LYS A 42 31.161 18.961 80.787 1.00 12.11 H new ATOM 0 HZ1 LYS A 42 33.168 18.815 82.112 1.00 11.13 H new ATOM 0 HZ2 LYS A 42 33.381 19.944 80.861 1.00 11.13 H new ATOM 0 HZ3 LYS A 42 33.112 20.478 82.450 1.00 11.13 H new ATOM 80 N LYS A 43 25.959 21.364 77.862 1.00 53.31 N ATOM 81 CA LYS A 43 25.480 21.184 76.497 1.00 64.23 C ATOM 82 C LYS A 43 26.641 21.187 75.507 1.00 21.24 C ATOM 83 O LYS A 43 27.399 22.152 75.427 1.00 43.44 O ATOM 84 CB LYS A 43 24.486 22.291 76.134 1.00 24.24 C ATOM 85 CG LYS A 43 23.066 22.007 76.594 1.00 11.01 C ATOM 86 CD LYS A 43 22.109 23.103 76.157 1.00 72.44 C ATOM 87 CE LYS A 43 20.744 22.945 76.811 1.00 74.55 C ATOM 88 NZ LYS A 43 20.163 21.598 76.561 1.00 41.43 N ATOM 0 H LYS A 43 25.586 22.188 78.334 1.00 53.31 H new ATOM 0 HA LYS A 43 24.978 20.218 76.440 1.00 64.23 H new ATOM 0 HB2 LYS A 43 24.822 23.229 76.576 1.00 24.24 H new ATOM 0 HB3 LYS A 43 24.488 22.430 75.053 1.00 24.24 H new ATOM 0 HG2 LYS A 43 22.735 21.051 76.188 1.00 11.01 H new ATOM 0 HG3 LYS A 43 23.046 21.916 77.680 1.00 11.01 H new ATOM 0 HD2 LYS A 43 22.527 24.076 76.415 1.00 72.44 H new ATOM 0 HD3 LYS A 43 21.999 23.080 75.073 1.00 72.44 H new ATOM 0 HE2 LYS A 43 20.835 23.108 77.885 1.00 74.55 H new ATOM 0 HE3 LYS A 43 20.067 23.709 76.429 1.00 74.55 H new ATOM 0 HZ1 LYS A 43 19.162 21.594 76.842 1.00 41.43 H new ATOM 0 HZ2 LYS A 43 20.240 21.369 75.549 1.00 41.43 H new ATOM 0 HZ3 LYS A 43 20.681 20.888 77.117 1.00 41.43 H new ATOM 98 N GLY A 44 26.775 20.098 74.756 1.00 4.14 N ATOM 99 CA GLY A 44 27.845 19.995 73.781 1.00 64.00 C ATOM 100 C GLY A 44 27.341 20.083 72.354 1.00 24.33 C ATOM 101 O GLY A 44 26.509 19.279 71.932 1.00 42.33 O ATOM 0 H GLY A 44 26.161 19.285 74.806 1.00 4.14 H new ATOM 0 HA2 GLY A 44 28.570 20.790 73.957 1.00 64.00 H new ATOM 0 HA3 GLY A 44 28.369 19.049 73.920 1.00 64.00 H new ATOM 105 N LYS A 45 27.842 21.063 71.610 1.00 32.23 N ATOM 106 CA LYS A 45 27.437 21.254 70.223 1.00 72.14 C ATOM 107 C LYS A 45 28.416 20.573 69.272 1.00 33.22 C ATOM 108 O LYS A 45 29.578 20.353 69.614 1.00 3.24 O ATOM 109 CB LYS A 45 27.349 22.747 69.897 1.00 23.12 C ATOM 110 CG LYS A 45 25.999 23.362 70.223 1.00 75.40 C ATOM 111 CD LYS A 45 25.922 23.796 71.677 1.00 64.31 C ATOM 112 CE LYS A 45 26.742 25.052 71.929 1.00 33.23 C ATOM 113 NZ LYS A 45 26.327 25.746 73.179 1.00 23.15 N ATOM 0 H LYS A 45 28.530 21.738 71.945 1.00 32.23 H new ATOM 0 HA LYS A 45 26.454 20.801 70.092 1.00 72.14 H new ATOM 0 HB2 LYS A 45 28.124 23.277 70.451 1.00 23.12 H new ATOM 0 HB3 LYS A 45 27.559 22.892 68.837 1.00 23.12 H new ATOM 0 HG2 LYS A 45 25.824 24.221 69.576 1.00 75.40 H new ATOM 0 HG3 LYS A 45 25.209 22.640 70.015 1.00 75.40 H new ATOM 0 HD2 LYS A 45 24.882 23.979 71.948 1.00 64.31 H new ATOM 0 HD3 LYS A 45 26.282 22.991 72.318 1.00 64.31 H new ATOM 0 HE2 LYS A 45 27.798 24.789 71.993 1.00 33.23 H new ATOM 0 HE3 LYS A 45 26.634 25.732 71.084 1.00 33.23 H new ATOM 0 HZ1 LYS A 45 26.910 26.596 73.314 1.00 23.15 H new ATOM 0 HZ2 LYS A 45 25.326 26.020 73.108 1.00 23.15 H new ATOM 0 HZ3 LYS A 45 26.454 25.107 73.990 1.00 23.15 H new ATOM 123 N GLY A 46 27.940 20.242 68.075 1.00 62.33 N ATOM 124 CA GLY A 46 28.786 19.591 67.093 1.00 32.03 C ATOM 125 C GLY A 46 28.251 19.730 65.682 1.00 1.23 C ATOM 126 O GLY A 46 27.238 19.123 65.333 1.00 50.42 O ATOM 0 H GLY A 46 26.982 20.414 67.768 1.00 62.33 H new ATOM 0 HA2 GLY A 46 29.788 20.017 67.142 1.00 32.03 H new ATOM 0 HA3 GLY A 46 28.877 18.533 67.341 1.00 32.03 H new ATOM 130 N LYS A 47 28.930 20.532 64.869 1.00 11.35 N ATOM 131 CA LYS A 47 28.516 20.748 63.488 1.00 62.23 C ATOM 132 C LYS A 47 29.624 20.347 62.519 1.00 23.00 C ATOM 133 O LYS A 47 30.674 19.856 62.931 1.00 11.20 O ATOM 134 CB LYS A 47 28.143 22.216 63.271 1.00 64.13 C ATOM 135 CG LYS A 47 29.308 23.174 63.449 1.00 62.24 C ATOM 136 CD LYS A 47 28.849 24.622 63.424 1.00 70.33 C ATOM 137 CE LYS A 47 30.007 25.578 63.674 1.00 10.33 C ATOM 138 NZ LYS A 47 30.635 25.353 65.005 1.00 41.34 N ATOM 0 H LYS A 47 29.769 21.043 65.143 1.00 11.35 H new ATOM 0 HA LYS A 47 27.644 20.124 63.294 1.00 62.23 H new ATOM 0 HB2 LYS A 47 27.737 22.334 62.266 1.00 64.13 H new ATOM 0 HB3 LYS A 47 27.351 22.488 63.969 1.00 64.13 H new ATOM 0 HG2 LYS A 47 29.809 22.967 64.394 1.00 62.24 H new ATOM 0 HG3 LYS A 47 30.039 23.010 62.658 1.00 62.24 H new ATOM 0 HD2 LYS A 47 28.394 24.844 62.459 1.00 70.33 H new ATOM 0 HD3 LYS A 47 28.080 24.774 64.181 1.00 70.33 H new ATOM 0 HE2 LYS A 47 30.757 25.452 62.893 1.00 10.33 H new ATOM 0 HE3 LYS A 47 29.650 26.606 63.610 1.00 10.33 H new ATOM 0 HZ1 LYS A 47 31.210 26.181 65.262 1.00 41.34 H new ATOM 0 HZ2 LYS A 47 29.893 25.212 65.720 1.00 41.34 H new ATOM 0 HZ3 LYS A 47 31.242 24.509 64.964 1.00 41.34 H new ATOM 148 N GLY A 48 29.381 20.559 61.229 1.00 52.24 N ATOM 149 CA GLY A 48 30.368 20.214 60.222 1.00 61.22 C ATOM 150 C GLY A 48 29.859 20.436 58.812 1.00 3.32 C ATOM 151 O GLY A 48 28.695 20.166 58.513 1.00 61.41 O ATOM 0 H GLY A 48 28.519 20.963 60.863 1.00 52.24 H new ATOM 0 HA2 GLY A 48 31.267 20.811 60.379 1.00 61.22 H new ATOM 0 HA3 GLY A 48 30.654 19.169 60.341 1.00 61.22 H new ATOM 155 N THR A 49 30.732 20.931 57.940 1.00 50.01 N ATOM 156 CA THR A 49 30.365 21.191 56.553 1.00 23.21 C ATOM 157 C THR A 49 30.470 19.926 55.710 1.00 72.23 C ATOM 158 O THR A 49 31.074 18.937 56.127 1.00 4.33 O ATOM 159 CB THR A 49 31.253 22.285 55.933 1.00 14.52 C ATOM 160 OG1 THR A 49 32.629 21.889 55.989 1.00 3.45 O ATOM 161 CG2 THR A 49 31.071 23.608 56.660 1.00 3.01 C ATOM 0 H THR A 49 31.699 21.160 58.170 1.00 50.01 H new ATOM 0 HA THR A 49 29.330 21.534 56.558 1.00 23.21 H new ATOM 0 HB THR A 49 30.955 22.417 54.893 1.00 14.52 H new ATOM 0 HG1 THR A 49 33.187 22.589 55.591 1.00 3.45 H new ATOM 0 HG21 THR A 49 31.709 24.365 56.203 1.00 3.01 H new ATOM 0 HG22 THR A 49 30.029 23.921 56.590 1.00 3.01 H new ATOM 0 HG23 THR A 49 31.344 23.488 57.708 1.00 3.01 H new ATOM 169 N THR A 50 29.879 19.963 54.519 1.00 74.10 N ATOM 170 CA THR A 50 29.907 18.820 53.616 1.00 51.22 C ATOM 171 C THR A 50 29.870 19.268 52.160 1.00 53.23 C ATOM 172 O THR A 50 29.192 20.235 51.814 1.00 63.50 O ATOM 173 CB THR A 50 28.724 17.868 53.879 1.00 73.45 C ATOM 174 OG1 THR A 50 28.580 17.643 55.286 1.00 4.41 O ATOM 175 CG2 THR A 50 28.929 16.541 53.165 1.00 35.42 C ATOM 0 H THR A 50 29.375 20.773 54.158 1.00 74.10 H new ATOM 0 HA THR A 50 30.840 18.290 53.806 1.00 51.22 H new ATOM 0 HB THR A 50 27.818 18.334 53.492 1.00 73.45 H new ATOM 0 HG1 THR A 50 27.825 17.038 55.445 1.00 4.41 H new ATOM 0 HG21 THR A 50 28.082 15.885 53.365 1.00 35.42 H new ATOM 0 HG22 THR A 50 29.008 16.714 52.092 1.00 35.42 H new ATOM 0 HG23 THR A 50 29.844 16.071 53.526 1.00 35.42 H new ATOM 183 N VAL A 51 30.604 18.558 51.309 1.00 41.15 N ATOM 184 CA VAL A 51 30.653 18.883 49.887 1.00 32.02 C ATOM 185 C VAL A 51 30.902 17.634 49.048 1.00 72.44 C ATOM 186 O VAL A 51 31.721 16.788 49.403 1.00 1.43 O ATOM 187 CB VAL A 51 31.754 19.918 49.586 1.00 4.34 C ATOM 188 CG1 VAL A 51 33.115 19.390 50.010 1.00 14.34 C ATOM 189 CG2 VAL A 51 31.750 20.283 48.109 1.00 71.43 C ATOM 0 H VAL A 51 31.172 17.755 51.578 1.00 41.15 H new ATOM 0 HA VAL A 51 29.684 19.308 49.624 1.00 32.02 H new ATOM 0 HB VAL A 51 31.548 20.821 50.161 1.00 4.34 H new ATOM 0 HG11 VAL A 51 33.879 20.135 49.789 1.00 14.34 H new ATOM 0 HG12 VAL A 51 33.108 19.184 51.080 1.00 14.34 H new ATOM 0 HG13 VAL A 51 33.335 18.472 49.465 1.00 14.34 H new ATOM 0 HG21 VAL A 51 32.533 21.015 47.913 1.00 71.43 H new ATOM 0 HG22 VAL A 51 31.931 19.389 47.513 1.00 71.43 H new ATOM 0 HG23 VAL A 51 30.782 20.707 47.842 1.00 71.43 H new ATOM 199 N GLY A 52 30.190 17.528 47.930 1.00 5.12 N ATOM 200 CA GLY A 52 30.348 16.380 47.056 1.00 63.23 C ATOM 201 C GLY A 52 30.408 16.771 45.592 1.00 30.33 C ATOM 202 O GLY A 52 29.512 17.446 45.086 1.00 40.45 O ATOM 0 H GLY A 52 29.507 18.216 47.614 1.00 5.12 H new ATOM 0 HA2 GLY A 52 31.259 15.846 47.324 1.00 63.23 H new ATOM 0 HA3 GLY A 52 29.517 15.692 47.212 1.00 63.23 H new ATOM 206 N MET A 53 31.468 16.346 44.911 1.00 25.30 N ATOM 207 CA MET A 53 31.641 16.656 43.496 1.00 23.34 C ATOM 208 C MET A 53 32.081 15.419 42.720 1.00 52.32 C ATOM 209 O MET A 53 32.684 14.505 43.280 1.00 1.44 O ATOM 210 CB MET A 53 32.667 17.776 43.320 1.00 35.24 C ATOM 211 CG MET A 53 34.049 17.422 43.844 1.00 14.10 C ATOM 212 SD MET A 53 34.270 17.864 45.578 1.00 32.24 S ATOM 213 CE MET A 53 34.787 16.293 46.264 1.00 34.05 C ATOM 0 H MET A 53 32.219 15.787 45.316 1.00 25.30 H new ATOM 0 HA MET A 53 30.681 16.988 43.101 1.00 23.34 H new ATOM 0 HB2 MET A 53 32.742 18.026 42.262 1.00 35.24 H new ATOM 0 HB3 MET A 53 32.310 18.669 43.834 1.00 35.24 H new ATOM 0 HG2 MET A 53 34.216 16.352 43.722 1.00 14.10 H new ATOM 0 HG3 MET A 53 34.802 17.933 43.244 1.00 14.10 H new ATOM 0 HE1 MET A 53 34.510 16.247 47.317 1.00 34.05 H new ATOM 0 HE2 MET A 53 34.298 15.482 45.724 1.00 34.05 H new ATOM 0 HE3 MET A 53 35.868 16.192 46.168 1.00 34.05 H new ATOM 221 N GLY A 54 31.776 15.398 41.426 1.00 61.34 N ATOM 222 CA GLY A 54 32.148 14.269 40.593 1.00 73.31 C ATOM 223 C GLY A 54 31.681 14.427 39.160 1.00 4.15 C ATOM 224 O GLY A 54 31.345 15.529 38.726 1.00 43.25 O ATOM 0 H GLY A 54 31.278 16.143 40.939 1.00 61.34 H new ATOM 0 HA2 GLY A 54 33.232 14.152 40.608 1.00 73.31 H new ATOM 0 HA3 GLY A 54 31.723 13.357 41.012 1.00 73.31 H new ATOM 266 N ARG A 58 28.648 8.163 29.768 1.00 44.43 N ATOM 267 CA ARG A 58 27.529 7.904 28.870 1.00 21.12 C ATOM 268 C ARG A 58 27.897 6.846 27.834 1.00 62.03 C ATOM 269 O ARG A 58 28.829 7.028 27.051 1.00 1.30 O ATOM 270 CB ARG A 58 27.101 9.194 28.169 1.00 43.35 C ATOM 271 CG ARG A 58 25.807 9.058 27.381 1.00 73.20 C ATOM 272 CD ARG A 58 24.590 9.235 28.275 1.00 14.22 C ATOM 273 NE ARG A 58 23.351 9.313 27.505 1.00 55.41 N ATOM 274 CZ ARG A 58 22.150 9.074 28.019 1.00 53.03 C ATOM 275 NH1 ARG A 58 22.025 8.745 29.297 1.00 70.14 N ATOM 276 NH2 ARG A 58 21.069 9.166 27.253 1.00 74.14 N ATOM 0 HA ARG A 58 26.696 7.530 29.466 1.00 21.12 H new ATOM 0 HB2 ARG A 58 26.982 9.980 28.914 1.00 43.35 H new ATOM 0 HB3 ARG A 58 27.896 9.512 27.494 1.00 43.35 H new ATOM 0 HG2 ARG A 58 25.785 9.801 26.584 1.00 73.20 H new ATOM 0 HG3 ARG A 58 25.771 8.078 26.905 1.00 73.20 H new ATOM 0 HD2 ARG A 58 24.530 8.401 28.975 1.00 14.22 H new ATOM 0 HD3 ARG A 58 24.705 10.142 28.869 1.00 14.22 H new ATOM 0 HE ARG A 58 23.412 9.565 26.518 1.00 55.41 H new ATOM 0 HH11 ARG A 58 22.853 8.675 29.889 1.00 70.14 H new ATOM 0 HH12 ARG A 58 21.101 8.562 29.689 1.00 70.14 H new ATOM 0 HH21 ARG A 58 21.161 9.420 26.269 1.00 74.14 H new ATOM 0 HH22 ARG A 58 20.147 8.982 27.648 1.00 74.14 H new ATOM 287 N ARG A 59 27.159 5.741 27.836 1.00 42.11 N ATOM 288 CA ARG A 59 27.408 4.654 26.897 1.00 21.20 C ATOM 289 C ARG A 59 26.351 3.562 27.036 1.00 71.30 C ATOM 290 O ARG A 59 26.297 2.861 28.046 1.00 12.31 O ATOM 291 CB ARG A 59 28.800 4.062 27.128 1.00 62.12 C ATOM 292 CG ARG A 59 29.085 2.828 26.287 1.00 63.04 C ATOM 293 CD ARG A 59 30.556 2.446 26.338 1.00 23.22 C ATOM 294 NE ARG A 59 30.861 1.323 25.456 1.00 22.33 N ATOM 295 CZ ARG A 59 32.088 1.020 25.050 1.00 12.14 C ATOM 296 NH1 ARG A 59 33.121 1.752 25.444 1.00 44.21 N ATOM 297 NH2 ARG A 59 32.285 -0.019 24.247 1.00 64.42 N ATOM 0 H ARG A 59 26.384 5.575 28.478 1.00 42.11 H new ATOM 0 HA ARG A 59 27.355 5.061 25.887 1.00 21.20 H new ATOM 0 HB2 ARG A 59 29.550 4.822 26.908 1.00 62.12 H new ATOM 0 HB3 ARG A 59 28.906 3.805 28.182 1.00 62.12 H new ATOM 0 HG2 ARG A 59 28.479 1.995 26.644 1.00 63.04 H new ATOM 0 HG3 ARG A 59 28.792 3.015 25.254 1.00 63.04 H new ATOM 0 HD2 ARG A 59 31.164 3.305 26.054 1.00 23.22 H new ATOM 0 HD3 ARG A 59 30.828 2.187 27.361 1.00 23.22 H new ATOM 0 HE ARG A 59 30.089 0.739 25.134 1.00 22.33 H new ATOM 0 HH11 ARG A 59 32.974 2.551 26.061 1.00 44.21 H new ATOM 0 HH12 ARG A 59 34.062 1.516 25.130 1.00 44.21 H new ATOM 0 HH21 ARG A 59 31.493 -0.585 23.942 1.00 64.42 H new ATOM 0 HH22 ARG A 59 33.228 -0.251 23.935 1.00 64.42 H new ATOM 308 N PHE A 60 25.512 3.425 26.015 1.00 63.11 N ATOM 309 CA PHE A 60 24.455 2.421 26.024 1.00 41.40 C ATOM 310 C PHE A 60 24.121 1.970 24.604 1.00 11.10 C ATOM 311 O PHE A 60 23.939 2.794 23.707 1.00 11.13 O ATOM 312 CB PHE A 60 23.200 2.975 26.703 1.00 13.32 C ATOM 313 CG PHE A 60 22.189 1.919 27.048 1.00 71.05 C ATOM 314 CD1 PHE A 60 22.576 0.755 27.693 1.00 64.43 C ATOM 315 CD2 PHE A 60 20.853 2.090 26.725 1.00 13.34 C ATOM 316 CE1 PHE A 60 21.648 -0.218 28.012 1.00 1.02 C ATOM 317 CE2 PHE A 60 19.920 1.120 27.042 1.00 71.21 C ATOM 318 CZ PHE A 60 20.319 -0.036 27.685 1.00 11.21 C ATOM 0 H PHE A 60 25.544 3.997 25.171 1.00 63.11 H new ATOM 0 HA PHE A 60 24.813 1.559 26.586 1.00 41.40 H new ATOM 0 HB2 PHE A 60 23.491 3.500 27.613 1.00 13.32 H new ATOM 0 HB3 PHE A 60 22.736 3.710 26.046 1.00 13.32 H new ATOM 0 HD1 PHE A 60 23.615 0.607 27.949 1.00 64.43 H new ATOM 0 HD2 PHE A 60 20.537 2.991 26.220 1.00 13.34 H new ATOM 0 HE1 PHE A 60 21.962 -1.120 28.517 1.00 1.02 H new ATOM 0 HE2 PHE A 60 18.881 1.266 26.787 1.00 71.21 H new ATOM 0 HZ PHE A 60 19.592 -0.796 27.931 1.00 11.21 H new ATOM 327 N ILE A 61 24.044 0.658 24.410 1.00 42.33 N ATOM 328 CA ILE A 61 23.732 0.098 23.101 1.00 43.42 C ATOM 329 C ILE A 61 22.820 -1.118 23.226 1.00 44.11 C ATOM 330 O ILE A 61 22.792 -1.782 24.260 1.00 61.53 O ATOM 331 CB ILE A 61 25.009 -0.309 22.344 1.00 50.32 C ATOM 332 CG1 ILE A 61 25.799 -1.343 23.149 1.00 31.52 C ATOM 333 CG2 ILE A 61 25.867 0.913 22.056 1.00 72.55 C ATOM 334 CD1 ILE A 61 26.764 -0.728 24.138 1.00 71.42 C ATOM 0 H ILE A 61 24.193 -0.037 25.142 1.00 42.33 H new ATOM 0 HA ILE A 61 23.219 0.878 22.539 1.00 43.42 H new ATOM 0 HB ILE A 61 24.721 -0.759 21.394 1.00 50.32 H new ATOM 0 HG12 ILE A 61 25.100 -1.985 23.686 1.00 31.52 H new ATOM 0 HG13 ILE A 61 26.354 -1.981 22.461 1.00 31.52 H new ATOM 0 HG21 ILE A 61 26.766 0.608 21.520 1.00 72.55 H new ATOM 0 HG22 ILE A 61 25.303 1.618 21.446 1.00 72.55 H new ATOM 0 HG23 ILE A 61 26.148 1.390 22.995 1.00 72.55 H new ATOM 0 HD11 ILE A 61 27.290 -1.519 24.673 1.00 71.42 H new ATOM 0 HD12 ILE A 61 27.486 -0.109 23.605 1.00 71.42 H new ATOM 0 HD13 ILE A 61 26.213 -0.113 24.849 1.00 71.42 H new ATOM 345 N ASN A 62 22.074 -1.403 22.163 1.00 32.14 N ATOM 346 CA ASN A 62 21.161 -2.540 22.154 1.00 43.22 C ATOM 347 C ASN A 62 20.889 -3.007 20.727 1.00 11.04 C ATOM 348 O ASN A 62 21.403 -2.434 19.767 1.00 2.04 O ATOM 349 CB ASN A 62 19.844 -2.169 22.840 1.00 52.41 C ATOM 350 CG ASN A 62 19.933 -2.267 24.351 1.00 2.23 C ATOM 351 OD1 ASN A 62 19.932 -1.254 25.050 1.00 73.42 O ATOM 352 ND2 ASN A 62 20.008 -3.490 24.860 1.00 35.33 N ATOM 0 H ASN A 62 22.084 -0.863 21.298 1.00 32.14 H new ATOM 0 HA ASN A 62 21.631 -3.356 22.702 1.00 43.22 H new ATOM 0 HB2 ASN A 62 19.565 -1.153 22.560 1.00 52.41 H new ATOM 0 HB3 ASN A 62 19.053 -2.827 22.482 1.00 52.41 H new ATOM 0 HD21 ASN A 62 20.068 -3.619 25.870 1.00 35.33 H new ATOM 0 HD22 ASN A 62 20.006 -4.301 24.241 1.00 35.33 H new ATOM 358 N MET A 63 20.077 -4.052 20.596 1.00 75.22 N ATOM 359 CA MET A 63 19.736 -4.595 19.287 1.00 1.23 C ATOM 360 C MET A 63 18.656 -5.666 19.407 1.00 44.04 C ATOM 361 O MET A 63 18.612 -6.409 20.387 1.00 31.25 O ATOM 362 CB MET A 63 20.979 -5.182 18.615 1.00 42.44 C ATOM 363 CG MET A 63 20.863 -5.279 17.102 1.00 25.42 C ATOM 364 SD MET A 63 21.421 -3.782 16.265 1.00 13.25 S ATOM 365 CE MET A 63 23.007 -4.322 15.630 1.00 24.31 C ATOM 0 H MET A 63 19.644 -4.539 21.381 1.00 75.22 H new ATOM 0 HA MET A 63 19.350 -3.781 18.673 1.00 1.23 H new ATOM 0 HB2 MET A 63 21.843 -4.567 18.866 1.00 42.44 H new ATOM 0 HB3 MET A 63 21.167 -6.176 19.021 1.00 42.44 H new ATOM 0 HG2 MET A 63 21.450 -6.127 16.750 1.00 25.42 H new ATOM 0 HG3 MET A 63 19.825 -5.476 16.833 1.00 25.42 H new ATOM 0 HE1 MET A 63 23.478 -3.504 15.085 1.00 24.31 H new ATOM 0 HE2 MET A 63 23.648 -4.623 16.459 1.00 24.31 H new ATOM 0 HE3 MET A 63 22.861 -5.168 14.959 1.00 24.31 H new ATOM 373 N TYR A 64 17.786 -5.737 18.405 1.00 34.35 N ATOM 374 CA TYR A 64 16.704 -6.715 18.401 1.00 11.01 C ATOM 375 C TYR A 64 15.920 -6.654 17.093 1.00 75.40 C ATOM 376 O TYR A 64 16.220 -5.847 16.214 1.00 4.32 O ATOM 377 CB TYR A 64 15.765 -6.473 19.584 1.00 42.44 C ATOM 378 CG TYR A 64 15.259 -5.050 19.675 1.00 54.02 C ATOM 379 CD1 TYR A 64 14.345 -4.557 18.752 1.00 41.14 C ATOM 380 CD2 TYR A 64 15.696 -4.201 20.684 1.00 70.25 C ATOM 381 CE1 TYR A 64 13.882 -3.257 18.831 1.00 1.13 C ATOM 382 CE2 TYR A 64 15.237 -2.900 20.771 1.00 15.02 C ATOM 383 CZ TYR A 64 14.331 -2.434 19.842 1.00 5.30 C ATOM 384 OH TYR A 64 13.870 -1.140 19.925 1.00 40.53 O ATOM 0 H TYR A 64 17.809 -5.130 17.586 1.00 34.35 H new ATOM 0 HA TYR A 64 17.145 -7.708 18.493 1.00 11.01 H new ATOM 0 HB2 TYR A 64 14.913 -7.148 19.505 1.00 42.44 H new ATOM 0 HB3 TYR A 64 16.286 -6.724 20.508 1.00 42.44 H new ATOM 0 HD1 TYR A 64 13.991 -5.200 17.960 1.00 41.14 H new ATOM 0 HD2 TYR A 64 16.406 -4.563 21.413 1.00 70.25 H new ATOM 0 HE1 TYR A 64 13.173 -2.888 18.105 1.00 1.13 H new ATOM 0 HE2 TYR A 64 15.586 -2.253 21.562 1.00 15.02 H new ATOM 0 HH TYR A 64 14.283 -0.694 20.694 1.00 40.53 H new ATOM 393 N GLY A 65 14.913 -7.514 16.975 1.00 64.25 N ATOM 394 CA GLY A 65 14.099 -7.541 15.773 1.00 74.21 C ATOM 395 C GLY A 65 13.335 -8.841 15.621 1.00 45.24 C ATOM 396 O GLY A 65 13.744 -9.876 16.148 1.00 42.30 O ATOM 0 H GLY A 65 14.646 -8.192 17.689 1.00 64.25 H new ATOM 0 HA2 GLY A 65 13.395 -6.709 15.796 1.00 74.21 H new ATOM 0 HA3 GLY A 65 14.737 -7.394 14.902 1.00 74.21 H new ATOM 400 N PHE A 66 12.220 -8.789 14.899 1.00 74.50 N ATOM 401 CA PHE A 66 11.394 -9.971 14.681 1.00 73.44 C ATOM 402 C PHE A 66 10.512 -9.798 13.449 1.00 52.04 C ATOM 403 O PHE A 66 10.389 -8.699 12.909 1.00 44.14 O ATOM 404 CB PHE A 66 10.525 -10.244 15.910 1.00 3.24 C ATOM 405 CG PHE A 66 10.115 -11.684 16.045 1.00 71.52 C ATOM 406 CD1 PHE A 66 8.781 -12.027 16.197 1.00 63.32 C ATOM 407 CD2 PHE A 66 11.063 -12.693 16.021 1.00 15.12 C ATOM 408 CE1 PHE A 66 8.401 -13.350 16.324 1.00 52.54 C ATOM 409 CE2 PHE A 66 10.690 -14.018 16.145 1.00 32.54 C ATOM 410 CZ PHE A 66 9.357 -14.347 16.297 1.00 42.44 C ATOM 0 H PHE A 66 11.868 -7.941 14.455 1.00 74.50 H new ATOM 0 HA PHE A 66 12.056 -10.821 14.516 1.00 73.44 H new ATOM 0 HB2 PHE A 66 11.070 -9.944 16.805 1.00 3.24 H new ATOM 0 HB3 PHE A 66 9.631 -9.623 15.858 1.00 3.24 H new ATOM 0 HD1 PHE A 66 8.029 -11.252 16.216 1.00 63.32 H new ATOM 0 HD2 PHE A 66 12.107 -12.441 15.904 1.00 15.12 H new ATOM 0 HE1 PHE A 66 7.358 -13.604 16.444 1.00 52.54 H new ATOM 0 HE2 PHE A 66 11.440 -14.795 16.123 1.00 32.54 H new ATOM 0 HZ PHE A 66 9.063 -15.382 16.395 1.00 42.44 H new ATOM 419 N ASP A 67 9.901 -10.893 13.008 1.00 73.01 N ATOM 420 CA ASP A 67 9.030 -10.863 11.838 1.00 11.34 C ATOM 421 C ASP A 67 7.847 -11.809 12.019 1.00 62.03 C ATOM 422 O ASP A 67 7.768 -12.870 11.400 1.00 24.25 O ATOM 423 CB ASP A 67 9.815 -11.244 10.582 1.00 53.03 C ATOM 424 CG ASP A 67 10.716 -12.443 10.802 1.00 71.31 C ATOM 425 OD1 ASP A 67 10.324 -13.561 10.405 1.00 31.43 O ATOM 426 OD2 ASP A 67 11.813 -12.264 11.371 1.00 12.10 O ATOM 0 H ASP A 67 9.993 -11.811 13.443 1.00 73.01 H new ATOM 0 HA ASP A 67 8.648 -9.848 11.725 1.00 11.34 H new ATOM 0 HB2 ASP A 67 9.117 -11.461 9.773 1.00 53.03 H new ATOM 0 HB3 ASP A 67 10.418 -10.394 10.263 1.00 53.03 H new ATOM 430 N PRO A 68 6.903 -11.417 12.889 1.00 74.13 N ATOM 431 CA PRO A 68 5.707 -12.215 13.172 1.00 11.10 C ATOM 432 C PRO A 68 4.742 -12.253 11.992 1.00 62.24 C ATOM 433 O PRO A 68 4.976 -11.613 10.965 1.00 22.15 O ATOM 434 CB PRO A 68 5.071 -11.491 14.360 1.00 63.21 C ATOM 435 CG PRO A 68 5.550 -10.084 14.248 1.00 3.22 C ATOM 436 CD PRO A 68 6.933 -10.164 13.662 1.00 24.13 C ATOM 0 HA PRO A 68 5.951 -13.258 13.372 1.00 11.10 H new ATOM 0 HB2 PRO A 68 3.983 -11.543 14.319 1.00 63.21 H new ATOM 0 HB3 PRO A 68 5.376 -11.939 15.306 1.00 63.21 H new ATOM 0 HG2 PRO A 68 4.889 -9.496 13.611 1.00 3.22 H new ATOM 0 HG3 PRO A 68 5.567 -9.598 15.224 1.00 3.22 H new ATOM 0 HD2 PRO A 68 7.151 -9.305 13.027 1.00 24.13 H new ATOM 0 HD3 PRO A 68 7.698 -10.189 14.438 1.00 24.13 H new ATOM 441 N THR A 69 3.656 -13.004 12.143 1.00 34.34 N ATOM 442 CA THR A 69 2.656 -13.126 11.090 1.00 74.51 C ATOM 443 C THR A 69 1.262 -13.311 11.676 1.00 0.54 C ATOM 444 O THR A 69 1.109 -13.783 12.802 1.00 0.33 O ATOM 445 CB THR A 69 2.969 -14.307 10.153 1.00 52.21 C ATOM 446 OG1 THR A 69 3.519 -15.395 10.902 1.00 35.24 O ATOM 447 CG2 THR A 69 3.946 -13.890 9.063 1.00 71.31 C ATOM 0 H THR A 69 3.446 -13.538 12.986 1.00 34.34 H new ATOM 0 HA THR A 69 2.685 -12.200 10.516 1.00 74.51 H new ATOM 0 HB THR A 69 2.038 -14.624 9.683 1.00 52.21 H new ATOM 0 HG1 THR A 69 3.713 -16.142 10.299 1.00 35.24 H new ATOM 0 HG21 THR A 69 4.152 -14.741 8.414 1.00 71.31 H new ATOM 0 HG22 THR A 69 3.512 -13.082 8.475 1.00 71.31 H new ATOM 0 HG23 THR A 69 4.875 -13.548 9.519 1.00 71.31 H new ATOM 468 N TYR A 71 -3.374 -13.279 10.437 1.00 3.24 N ATOM 469 CA TYR A 71 -4.377 -13.442 9.392 1.00 41.34 C ATOM 470 C TYR A 71 -5.745 -12.964 9.870 1.00 51.30 C ATOM 471 O TYR A 71 -6.015 -12.920 11.070 1.00 52.21 O ATOM 472 CB TYR A 71 -4.458 -14.906 8.956 1.00 25.50 C ATOM 473 CG TYR A 71 -4.845 -15.848 10.074 1.00 12.43 C ATOM 474 CD1 TYR A 71 -3.918 -16.237 11.033 1.00 53.21 C ATOM 475 CD2 TYR A 71 -6.137 -16.351 10.169 1.00 32.45 C ATOM 476 CE1 TYR A 71 -4.266 -17.099 12.055 1.00 50.44 C ATOM 477 CE2 TYR A 71 -6.494 -17.212 11.189 1.00 50.40 C ATOM 478 CZ TYR A 71 -5.555 -17.583 12.129 1.00 12.35 C ATOM 479 OH TYR A 71 -5.907 -18.443 13.145 1.00 64.12 O ATOM 0 HA TYR A 71 -4.078 -12.833 8.539 1.00 41.34 H new ATOM 0 HB2 TYR A 71 -5.184 -14.996 8.148 1.00 25.50 H new ATOM 0 HB3 TYR A 71 -3.492 -15.211 8.553 1.00 25.50 H new ATOM 0 HD1 TYR A 71 -2.908 -15.859 10.979 1.00 53.21 H new ATOM 0 HD2 TYR A 71 -6.874 -16.064 9.434 1.00 32.45 H new ATOM 0 HE1 TYR A 71 -3.533 -17.392 12.792 1.00 50.44 H new ATOM 0 HE2 TYR A 71 -7.503 -17.593 11.250 1.00 50.40 H new ATOM 0 HH TYR A 71 -6.851 -18.689 13.053 1.00 64.12 H new ATOM 488 N SER A 72 -6.606 -12.610 8.921 1.00 41.35 N ATOM 489 CA SER A 72 -7.946 -12.132 9.244 1.00 14.41 C ATOM 490 C SER A 72 -7.884 -10.943 10.196 1.00 20.32 C ATOM 491 O SER A 72 -8.387 -11.005 11.318 1.00 24.11 O ATOM 492 CB SER A 72 -8.774 -13.257 9.866 1.00 15.33 C ATOM 493 OG SER A 72 -10.158 -13.062 9.632 1.00 71.54 O ATOM 0 H SER A 72 -6.400 -12.645 7.923 1.00 41.35 H new ATOM 0 HA SER A 72 -8.423 -11.808 8.319 1.00 14.41 H new ATOM 0 HB2 SER A 72 -8.463 -14.215 9.449 1.00 15.33 H new ATOM 0 HB3 SER A 72 -8.586 -13.300 10.939 1.00 15.33 H new ATOM 0 HG SER A 72 -10.517 -12.435 10.294 1.00 71.54 H new ATOM 498 N PHE A 73 -7.262 -9.860 9.742 1.00 10.33 N ATOM 499 CA PHE A 73 -7.132 -8.656 10.554 1.00 64.10 C ATOM 500 C PHE A 73 -7.466 -7.411 9.737 1.00 32.44 C ATOM 501 O PHE A 73 -7.894 -7.507 8.586 1.00 75.44 O ATOM 502 CB PHE A 73 -5.714 -8.545 11.118 1.00 42.01 C ATOM 503 CG PHE A 73 -4.646 -8.571 10.062 1.00 35.05 C ATOM 504 CD1 PHE A 73 -4.251 -7.404 9.429 1.00 32.22 C ATOM 505 CD2 PHE A 73 -4.037 -9.763 9.705 1.00 42.44 C ATOM 506 CE1 PHE A 73 -3.268 -7.426 8.458 1.00 41.44 C ATOM 507 CE2 PHE A 73 -3.054 -9.790 8.733 1.00 35.32 C ATOM 508 CZ PHE A 73 -2.668 -8.620 8.110 1.00 54.22 C ATOM 0 H PHE A 73 -6.840 -9.792 8.816 1.00 10.33 H new ATOM 0 HA PHE A 73 -7.839 -8.727 11.381 1.00 64.10 H new ATOM 0 HB2 PHE A 73 -5.629 -7.619 11.687 1.00 42.01 H new ATOM 0 HB3 PHE A 73 -5.544 -9.365 11.816 1.00 42.01 H new ATOM 0 HD1 PHE A 73 -4.716 -6.467 9.697 1.00 32.22 H new ATOM 0 HD2 PHE A 73 -4.333 -10.681 10.191 1.00 42.44 H new ATOM 0 HE1 PHE A 73 -2.969 -6.509 7.971 1.00 41.44 H new ATOM 0 HE2 PHE A 73 -2.588 -10.726 8.461 1.00 35.32 H new ATOM 0 HZ PHE A 73 -1.899 -8.639 7.352 1.00 54.22 H new ATOM 517 N ILE A 74 -7.267 -6.244 10.341 1.00 60.14 N ATOM 518 CA ILE A 74 -7.546 -4.980 9.670 1.00 41.24 C ATOM 519 C ILE A 74 -6.263 -4.338 9.153 1.00 45.52 C ATOM 520 O ILE A 74 -5.271 -4.244 9.874 1.00 75.25 O ATOM 521 CB ILE A 74 -8.260 -3.990 10.608 1.00 32.12 C ATOM 522 CG1 ILE A 74 -9.592 -4.574 11.083 1.00 11.11 C ATOM 523 CG2 ILE A 74 -8.480 -2.659 9.906 1.00 51.03 C ATOM 524 CD1 ILE A 74 -9.491 -5.319 12.396 1.00 44.00 C ATOM 0 H ILE A 74 -6.914 -6.148 11.293 1.00 60.14 H new ATOM 0 HA ILE A 74 -8.201 -5.207 8.829 1.00 41.24 H new ATOM 0 HB ILE A 74 -7.628 -3.819 11.479 1.00 32.12 H new ATOM 0 HG12 ILE A 74 -10.317 -3.767 11.187 1.00 11.11 H new ATOM 0 HG13 ILE A 74 -9.976 -5.250 10.319 1.00 11.11 H new ATOM 0 HG21 ILE A 74 -8.986 -1.970 10.582 1.00 51.03 H new ATOM 0 HG22 ILE A 74 -7.518 -2.239 9.613 1.00 51.03 H new ATOM 0 HG23 ILE A 74 -9.094 -2.813 9.019 1.00 51.03 H new ATOM 0 HD11 ILE A 74 -10.472 -5.706 12.671 1.00 44.00 H new ATOM 0 HD12 ILE A 74 -8.791 -6.148 12.291 1.00 44.00 H new ATOM 0 HD13 ILE A 74 -9.137 -4.641 13.173 1.00 44.00 H new ATOM 535 N GLN A 75 -6.293 -3.896 7.899 1.00 14.34 N ATOM 536 CA GLN A 75 -5.132 -3.262 7.286 1.00 75.20 C ATOM 537 C GLN A 75 -5.186 -1.747 7.458 1.00 51.54 C ATOM 538 O GLN A 75 -6.029 -1.075 6.862 1.00 73.42 O ATOM 539 CB GLN A 75 -5.056 -3.616 5.800 1.00 50.20 C ATOM 540 CG GLN A 75 -3.667 -3.452 5.206 1.00 74.24 C ATOM 541 CD GLN A 75 -3.497 -4.204 3.901 1.00 2.32 C ATOM 542 OE1 GLN A 75 -4.302 -5.072 3.561 1.00 25.03 O ATOM 543 NE2 GLN A 75 -2.446 -3.875 3.159 1.00 3.41 N ATOM 0 H GLN A 75 -7.108 -3.965 7.289 1.00 14.34 H new ATOM 0 HA GLN A 75 -4.239 -3.635 7.787 1.00 75.20 H new ATOM 0 HB2 GLN A 75 -5.381 -4.647 5.664 1.00 50.20 H new ATOM 0 HB3 GLN A 75 -5.754 -2.986 5.249 1.00 50.20 H new ATOM 0 HG2 GLN A 75 -3.470 -2.393 5.039 1.00 74.24 H new ATOM 0 HG3 GLN A 75 -2.926 -3.804 5.923 1.00 74.24 H new ATOM 0 HE21 GLN A 75 -1.803 -3.150 3.478 1.00 3.41 H new ATOM 0 HE22 GLN A 75 -2.281 -4.347 2.270 1.00 3.41 H new ATOM 550 N PHE A 76 -4.283 -1.217 8.274 1.00 74.43 N ATOM 551 CA PHE A 76 -4.227 0.219 8.525 1.00 65.21 C ATOM 552 C PHE A 76 -3.371 0.923 7.475 1.00 31.54 C ATOM 553 O PHE A 76 -2.216 0.559 7.256 1.00 20.33 O ATOM 554 CB PHE A 76 -3.669 0.494 9.923 1.00 32.25 C ATOM 555 CG PHE A 76 -3.380 1.945 10.179 1.00 5.21 C ATOM 556 CD1 PHE A 76 -2.173 2.504 9.789 1.00 4.32 C ATOM 557 CD2 PHE A 76 -4.314 2.750 10.810 1.00 25.20 C ATOM 558 CE1 PHE A 76 -1.904 3.839 10.022 1.00 31.25 C ATOM 559 CE2 PHE A 76 -4.051 4.086 11.046 1.00 53.14 C ATOM 560 CZ PHE A 76 -2.844 4.631 10.653 1.00 63.03 C ATOM 0 H PHE A 76 -3.579 -1.760 8.774 1.00 74.43 H new ATOM 0 HA PHE A 76 -5.242 0.612 8.463 1.00 65.21 H new ATOM 0 HB2 PHE A 76 -4.382 0.137 10.666 1.00 32.25 H new ATOM 0 HB3 PHE A 76 -2.752 -0.080 10.059 1.00 32.25 H new ATOM 0 HD1 PHE A 76 -1.434 1.889 9.297 1.00 4.32 H new ATOM 0 HD2 PHE A 76 -5.259 2.329 11.121 1.00 25.20 H new ATOM 0 HE1 PHE A 76 -0.960 4.263 9.711 1.00 31.25 H new ATOM 0 HE2 PHE A 76 -4.788 4.703 11.537 1.00 53.14 H new ATOM 0 HZ PHE A 76 -2.635 5.674 10.839 1.00 63.03 H new ATOM 569 N VAL A 77 -3.947 1.932 6.831 1.00 52.54 N ATOM 570 CA VAL A 77 -3.238 2.687 5.805 1.00 73.41 C ATOM 571 C VAL A 77 -3.664 4.150 5.807 1.00 44.24 C ATOM 572 O VAL A 77 -4.830 4.468 6.044 1.00 21.24 O ATOM 573 CB VAL A 77 -3.478 2.094 4.404 1.00 64.44 C ATOM 574 CG1 VAL A 77 -2.739 2.903 3.348 1.00 4.21 C ATOM 575 CG2 VAL A 77 -3.053 0.634 4.363 1.00 25.32 C ATOM 0 H VAL A 77 -4.902 2.246 7.001 1.00 52.54 H new ATOM 0 HA VAL A 77 -2.176 2.621 6.041 1.00 73.41 H new ATOM 0 HB VAL A 77 -4.545 2.144 4.185 1.00 64.44 H new ATOM 0 HG11 VAL A 77 -2.920 2.469 2.365 1.00 4.21 H new ATOM 0 HG12 VAL A 77 -3.097 3.933 3.362 1.00 4.21 H new ATOM 0 HG13 VAL A 77 -1.670 2.887 3.560 1.00 4.21 H new ATOM 0 HG21 VAL A 77 -3.230 0.231 3.366 1.00 25.32 H new ATOM 0 HG22 VAL A 77 -1.992 0.557 4.603 1.00 25.32 H new ATOM 0 HG23 VAL A 77 -3.632 0.066 5.091 1.00 25.32 H new ATOM 585 N ASP A 78 -2.714 5.039 5.537 1.00 22.03 N ATOM 586 CA ASP A 78 -2.992 6.471 5.506 1.00 11.54 C ATOM 587 C ASP A 78 -3.707 6.856 4.215 1.00 42.42 C ATOM 588 O ASP A 78 -3.696 6.122 3.226 1.00 62.31 O ATOM 589 CB ASP A 78 -1.693 7.266 5.641 1.00 23.11 C ATOM 590 CG ASP A 78 -1.473 7.779 7.051 1.00 1.32 C ATOM 591 OD1 ASP A 78 -1.647 8.996 7.275 1.00 44.20 O ATOM 592 OD2 ASP A 78 -1.128 6.964 7.931 1.00 31.13 O ATOM 0 H ASP A 78 -1.745 4.793 5.336 1.00 22.03 H new ATOM 0 HA ASP A 78 -3.644 6.709 6.347 1.00 11.54 H new ATOM 0 HB2 ASP A 78 -0.852 6.635 5.352 1.00 23.11 H new ATOM 0 HB3 ASP A 78 -1.712 8.108 4.950 1.00 23.11 H new ATOM 596 N PRO A 79 -4.346 8.036 4.222 1.00 74.12 N ATOM 597 CA PRO A 79 -5.078 8.546 3.059 1.00 2.32 C ATOM 598 C PRO A 79 -4.150 8.945 1.918 1.00 41.40 C ATOM 599 O PRO A 79 -4.452 8.710 0.746 1.00 31.14 O ATOM 600 CB PRO A 79 -5.806 9.775 3.610 1.00 71.31 C ATOM 601 CG PRO A 79 -4.981 10.216 4.769 1.00 31.41 C ATOM 602 CD PRO A 79 -4.400 8.963 5.365 1.00 43.42 C ATOM 0 HA PRO A 79 -5.742 7.794 2.634 1.00 2.32 H new ATOM 0 HB2 PRO A 79 -5.883 10.560 2.858 1.00 71.31 H new ATOM 0 HB3 PRO A 79 -6.822 9.528 3.918 1.00 71.31 H new ATOM 0 HG2 PRO A 79 -4.193 10.898 4.450 1.00 31.41 H new ATOM 0 HG3 PRO A 79 -5.588 10.750 5.500 1.00 31.41 H new ATOM 0 HD2 PRO A 79 -3.410 9.140 5.786 1.00 43.42 H new ATOM 0 HD3 PRO A 79 -5.024 8.574 6.169 1.00 43.42 H new ATOM 607 N LEU A 80 -3.018 9.548 2.265 1.00 44.40 N ATOM 608 CA LEU A 80 -2.044 9.979 1.268 1.00 1.32 C ATOM 609 C LEU A 80 -0.651 9.456 1.606 1.00 61.43 C ATOM 610 O LEU A 80 0.115 9.077 0.720 1.00 43.44 O ATOM 611 CB LEU A 80 -2.020 11.505 1.175 1.00 32.21 C ATOM 612 CG LEU A 80 -1.425 12.241 2.376 1.00 22.32 C ATOM 613 CD1 LEU A 80 0.076 12.414 2.205 1.00 74.44 C ATOM 614 CD2 LEU A 80 -2.102 13.590 2.564 1.00 63.12 C ATOM 0 H LEU A 80 -2.752 9.749 3.229 1.00 44.40 H new ATOM 0 HA LEU A 80 -2.342 9.568 0.304 1.00 1.32 H new ATOM 0 HB2 LEU A 80 -1.456 11.786 0.286 1.00 32.21 H new ATOM 0 HB3 LEU A 80 -3.041 11.856 1.028 1.00 32.21 H new ATOM 0 HG LEU A 80 -1.601 11.642 3.269 1.00 22.32 H new ATOM 0 HD11 LEU A 80 0.482 12.940 3.069 1.00 74.44 H new ATOM 0 HD12 LEU A 80 0.548 11.435 2.121 1.00 74.44 H new ATOM 0 HD13 LEU A 80 0.275 12.991 1.302 1.00 74.44 H new ATOM 0 HD21 LEU A 80 -1.666 14.099 3.423 1.00 63.12 H new ATOM 0 HD22 LEU A 80 -1.958 14.197 1.670 1.00 63.12 H new ATOM 0 HD23 LEU A 80 -3.168 13.441 2.733 1.00 63.12 H new ATOM 625 N THR A 81 -0.330 9.437 2.895 1.00 35.42 N ATOM 626 CA THR A 81 0.970 8.960 3.352 1.00 73.40 C ATOM 627 C THR A 81 1.299 7.599 2.751 1.00 10.52 C ATOM 628 O THR A 81 2.462 7.279 2.510 1.00 64.15 O ATOM 629 CB THR A 81 1.022 8.856 4.888 1.00 12.41 C ATOM 630 OG1 THR A 81 0.080 9.762 5.473 1.00 12.15 O ATOM 631 CG2 THR A 81 2.420 9.167 5.404 1.00 10.42 C ATOM 0 H THR A 81 -0.952 9.746 3.642 1.00 35.42 H new ATOM 0 HA THR A 81 1.709 9.689 3.019 1.00 73.40 H new ATOM 0 HB THR A 81 0.766 7.835 5.170 1.00 12.41 H new ATOM 0 HG1 THR A 81 0.334 9.943 6.402 1.00 12.15 H new ATOM 0 HG21 THR A 81 2.433 9.087 6.491 1.00 10.42 H new ATOM 0 HG22 THR A 81 3.131 8.458 4.980 1.00 10.42 H new ATOM 0 HG23 THR A 81 2.699 10.179 5.111 1.00 10.42 H new ATOM 639 N GLY A 82 0.264 6.799 2.509 1.00 14.25 N ATOM 640 CA GLY A 82 0.464 5.480 1.936 1.00 34.12 C ATOM 641 C GLY A 82 1.164 4.533 2.891 1.00 21.11 C ATOM 642 O GLY A 82 1.871 3.620 2.465 1.00 62.42 O ATOM 0 H GLY A 82 -0.708 7.041 2.699 1.00 14.25 H new ATOM 0 HA2 GLY A 82 -0.501 5.059 1.655 1.00 34.12 H new ATOM 0 HA3 GLY A 82 1.051 5.569 1.022 1.00 34.12 H new ATOM 646 N ALA A 83 0.969 4.751 4.188 1.00 61.35 N ATOM 647 CA ALA A 83 1.586 3.910 5.206 1.00 50.45 C ATOM 648 C ALA A 83 0.912 2.543 5.270 1.00 72.51 C ATOM 649 O ALA A 83 -0.143 2.334 4.674 1.00 11.02 O ATOM 650 CB ALA A 83 1.527 4.596 6.563 1.00 10.23 C ATOM 0 H ALA A 83 0.388 5.503 4.558 1.00 61.35 H new ATOM 0 HA ALA A 83 2.631 3.758 4.934 1.00 50.45 H new ATOM 0 HB1 ALA A 83 1.991 3.957 7.314 1.00 10.23 H new ATOM 0 HB2 ALA A 83 2.060 5.545 6.514 1.00 10.23 H new ATOM 0 HB3 ALA A 83 0.487 4.778 6.834 1.00 10.23 H new ATOM 656 N GLN A 84 1.531 1.618 5.998 1.00 41.23 N ATOM 657 CA GLN A 84 0.991 0.272 6.139 1.00 52.54 C ATOM 658 C GLN A 84 1.211 -0.258 7.552 1.00 3.02 C ATOM 659 O GLN A 84 2.328 -0.227 8.070 1.00 10.32 O ATOM 660 CB GLN A 84 1.639 -0.670 5.122 1.00 75.44 C ATOM 661 CG GLN A 84 3.063 -1.063 5.480 1.00 50.42 C ATOM 662 CD GLN A 84 3.992 0.131 5.575 1.00 10.31 C ATOM 663 OE1 GLN A 84 4.001 0.997 4.700 1.00 73.14 O ATOM 664 NE2 GLN A 84 4.781 0.184 6.641 1.00 35.54 N ATOM 0 H GLN A 84 2.406 1.777 6.498 1.00 41.23 H new ATOM 0 HA GLN A 84 -0.082 0.317 5.950 1.00 52.54 H new ATOM 0 HB2 GLN A 84 1.033 -1.572 5.036 1.00 75.44 H new ATOM 0 HB3 GLN A 84 1.638 -0.191 4.143 1.00 75.44 H new ATOM 0 HG2 GLN A 84 3.061 -1.593 6.432 1.00 50.42 H new ATOM 0 HG3 GLN A 84 3.444 -1.756 4.730 1.00 50.42 H new ATOM 0 HE21 GLN A 84 4.741 -0.556 7.342 1.00 35.54 H new ATOM 0 HE22 GLN A 84 5.427 0.964 6.759 1.00 35.54 H new ATOM 671 N ILE A 85 0.139 -0.742 8.171 1.00 64.12 N ATOM 672 CA ILE A 85 0.216 -1.279 9.524 1.00 71.23 C ATOM 673 C ILE A 85 -0.864 -2.329 9.761 1.00 54.35 C ATOM 674 O ILE A 85 -1.967 -2.231 9.225 1.00 54.33 O ATOM 675 CB ILE A 85 0.074 -0.167 10.579 1.00 72.33 C ATOM 676 CG1 ILE A 85 1.260 0.796 10.499 1.00 74.32 C ATOM 677 CG2 ILE A 85 -0.033 -0.769 11.972 1.00 71.10 C ATOM 678 CD1 ILE A 85 1.192 1.925 11.504 1.00 62.23 C ATOM 0 H ILE A 85 -0.793 -0.773 7.757 1.00 64.12 H new ATOM 0 HA ILE A 85 1.198 -1.742 9.625 1.00 71.23 H new ATOM 0 HB ILE A 85 -0.839 0.393 10.375 1.00 72.33 H new ATOM 0 HG12 ILE A 85 2.183 0.237 10.655 1.00 74.32 H new ATOM 0 HG13 ILE A 85 1.308 1.217 9.495 1.00 74.32 H new ATOM 0 HG21 ILE A 85 -0.133 0.030 12.707 1.00 71.10 H new ATOM 0 HG22 ILE A 85 -0.907 -1.419 12.021 1.00 71.10 H new ATOM 0 HG23 ILE A 85 0.864 -1.350 12.187 1.00 71.10 H new ATOM 0 HD11 ILE A 85 2.065 2.567 11.389 1.00 62.23 H new ATOM 0 HD12 ILE A 85 0.287 2.509 11.335 1.00 62.23 H new ATOM 0 HD13 ILE A 85 1.175 1.513 12.513 1.00 62.23 H new ATOM 689 N GLU A 86 -0.538 -3.333 10.568 1.00 61.31 N ATOM 690 CA GLU A 86 -1.482 -4.402 10.877 1.00 73.14 C ATOM 691 C GLU A 86 -2.213 -4.121 12.186 1.00 72.41 C ATOM 692 O GLU A 86 -1.643 -4.261 13.269 1.00 65.25 O ATOM 693 CB GLU A 86 -0.754 -5.745 10.964 1.00 24.52 C ATOM 694 CG GLU A 86 0.446 -5.727 11.896 1.00 15.34 C ATOM 695 CD GLU A 86 0.326 -6.737 13.021 1.00 51.33 C ATOM 696 OE1 GLU A 86 0.921 -7.828 12.904 1.00 14.44 O ATOM 697 OE2 GLU A 86 -0.362 -6.435 14.019 1.00 51.53 O ATOM 0 H GLU A 86 0.371 -3.429 11.020 1.00 61.31 H new ATOM 0 HA GLU A 86 -2.217 -4.447 10.074 1.00 73.14 H new ATOM 0 HB2 GLU A 86 -1.455 -6.508 11.303 1.00 24.52 H new ATOM 0 HB3 GLU A 86 -0.424 -6.036 9.966 1.00 24.52 H new ATOM 0 HG2 GLU A 86 1.350 -5.933 11.323 1.00 15.34 H new ATOM 0 HG3 GLU A 86 0.558 -4.729 12.319 1.00 15.34 H new ATOM 702 N GLU A 87 -3.476 -3.724 12.078 1.00 64.34 N ATOM 703 CA GLU A 87 -4.285 -3.421 13.254 1.00 32.15 C ATOM 704 C GLU A 87 -5.418 -4.431 13.409 1.00 62.22 C ATOM 705 O GLU A 87 -5.792 -5.113 12.456 1.00 53.24 O ATOM 706 CB GLU A 87 -4.859 -2.006 13.156 1.00 34.40 C ATOM 707 CG GLU A 87 -6.045 -1.894 12.214 1.00 62.42 C ATOM 708 CD GLU A 87 -6.437 -0.455 11.937 1.00 74.12 C ATOM 709 OE1 GLU A 87 -6.866 -0.166 10.801 1.00 13.54 O ATOM 710 OE2 GLU A 87 -6.313 0.381 12.856 1.00 41.23 O ATOM 0 H GLU A 87 -3.962 -3.604 11.189 1.00 64.34 H new ATOM 0 HA GLU A 87 -3.642 -3.484 14.132 1.00 32.15 H new ATOM 0 HB2 GLU A 87 -5.163 -1.677 14.150 1.00 34.40 H new ATOM 0 HB3 GLU A 87 -4.075 -1.327 12.821 1.00 34.40 H new ATOM 0 HG2 GLU A 87 -5.805 -2.389 11.273 1.00 62.42 H new ATOM 0 HG3 GLU A 87 -6.896 -2.422 12.643 1.00 62.42 H new ATOM 715 N ASN A 88 -5.961 -4.521 14.619 1.00 12.53 N ATOM 716 CA ASN A 88 -7.051 -5.449 14.901 1.00 51.11 C ATOM 717 C ASN A 88 -8.262 -4.710 15.462 1.00 72.43 C ATOM 718 O ASN A 88 -8.256 -3.484 15.579 1.00 53.53 O ATOM 719 CB ASN A 88 -6.592 -6.524 15.888 1.00 60.52 C ATOM 720 CG ASN A 88 -6.152 -5.938 17.216 1.00 24.05 C ATOM 721 OD1 ASN A 88 -6.873 -6.020 18.212 1.00 11.43 O ATOM 722 ND2 ASN A 88 -4.966 -5.344 17.238 1.00 31.30 N ATOM 0 H ASN A 88 -5.664 -3.963 15.420 1.00 12.53 H new ATOM 0 HA ASN A 88 -7.340 -5.926 13.965 1.00 51.11 H new ATOM 0 HB2 ASN A 88 -7.405 -7.230 16.057 1.00 60.52 H new ATOM 0 HB3 ASN A 88 -5.767 -7.087 15.451 1.00 60.52 H new ATOM 0 HD21 ASN A 88 -4.618 -4.932 18.104 1.00 31.30 H new ATOM 0 HD22 ASN A 88 -4.402 -5.299 16.389 1.00 31.30 H new ATOM 728 N VAL A 89 -9.299 -5.464 15.811 1.00 14.32 N ATOM 729 CA VAL A 89 -10.517 -4.883 16.362 1.00 22.12 C ATOM 730 C VAL A 89 -10.219 -4.076 17.622 1.00 55.04 C ATOM 731 O VAL A 89 -10.837 -3.040 17.868 1.00 25.25 O ATOM 732 CB VAL A 89 -11.557 -5.969 16.696 1.00 70.31 C ATOM 733 CG1 VAL A 89 -12.004 -6.686 15.431 1.00 20.53 C ATOM 734 CG2 VAL A 89 -10.990 -6.955 17.707 1.00 3.11 C ATOM 0 H VAL A 89 -9.320 -6.480 15.722 1.00 14.32 H new ATOM 0 HA VAL A 89 -10.926 -4.222 15.598 1.00 22.12 H new ATOM 0 HB VAL A 89 -12.429 -5.490 17.140 1.00 70.31 H new ATOM 0 HG11 VAL A 89 -12.739 -7.450 15.686 1.00 20.53 H new ATOM 0 HG12 VAL A 89 -12.451 -5.967 14.744 1.00 20.53 H new ATOM 0 HG13 VAL A 89 -11.143 -7.155 14.955 1.00 20.53 H new ATOM 0 HG21 VAL A 89 -11.738 -7.716 17.932 1.00 3.11 H new ATOM 0 HG22 VAL A 89 -10.101 -7.431 17.292 1.00 3.11 H new ATOM 0 HG23 VAL A 89 -10.724 -6.426 18.622 1.00 3.11 H new ATOM 744 N TYR A 90 -9.267 -4.557 18.414 1.00 62.14 N ATOM 745 CA TYR A 90 -8.888 -3.881 19.649 1.00 12.32 C ATOM 746 C TYR A 90 -7.583 -3.111 19.471 1.00 14.32 C ATOM 747 O TYR A 90 -6.819 -2.934 20.419 1.00 32.43 O ATOM 748 CB TYR A 90 -8.744 -4.895 20.785 1.00 34.40 C ATOM 749 CG TYR A 90 -9.855 -5.919 20.827 1.00 21.34 C ATOM 750 CD1 TYR A 90 -11.169 -5.539 21.072 1.00 0.42 C ATOM 751 CD2 TYR A 90 -9.591 -7.269 20.623 1.00 61.43 C ATOM 752 CE1 TYR A 90 -12.187 -6.472 21.111 1.00 22.43 C ATOM 753 CE2 TYR A 90 -10.602 -8.208 20.660 1.00 22.31 C ATOM 754 CZ TYR A 90 -11.899 -7.805 20.905 1.00 62.03 C ATOM 755 OH TYR A 90 -12.911 -8.737 20.942 1.00 35.21 O ATOM 0 H TYR A 90 -8.744 -5.412 18.223 1.00 62.14 H new ATOM 0 HA TYR A 90 -9.675 -3.171 19.901 1.00 12.32 H new ATOM 0 HB2 TYR A 90 -7.789 -5.411 20.681 1.00 34.40 H new ATOM 0 HB3 TYR A 90 -8.717 -4.362 21.735 1.00 34.40 H new ATOM 0 HD1 TYR A 90 -11.398 -4.496 21.235 1.00 0.42 H new ATOM 0 HD2 TYR A 90 -8.577 -7.588 20.432 1.00 61.43 H new ATOM 0 HE1 TYR A 90 -13.203 -6.159 21.302 1.00 22.43 H new ATOM 0 HE2 TYR A 90 -10.379 -9.252 20.498 1.00 22.31 H new ATOM 0 HH TYR A 90 -12.540 -9.629 20.776 1.00 35.21 H new ATOM 764 N ALA A 91 -7.336 -2.656 18.247 1.00 74.11 N ATOM 765 CA ALA A 91 -6.125 -1.902 17.943 1.00 55.40 C ATOM 766 C ALA A 91 -5.938 -0.745 18.919 1.00 12.44 C ATOM 767 O ALA A 91 -6.838 0.074 19.104 1.00 42.30 O ATOM 768 CB ALA A 91 -6.170 -1.386 16.513 1.00 13.32 C ATOM 0 H ALA A 91 -7.957 -2.796 17.450 1.00 74.11 H new ATOM 0 HA ALA A 91 -5.273 -2.573 18.049 1.00 55.40 H new ATOM 0 HB1 ALA A 91 -5.260 -0.825 16.300 1.00 13.32 H new ATOM 0 HB2 ALA A 91 -6.247 -2.228 15.825 1.00 13.32 H new ATOM 0 HB3 ALA A 91 -7.035 -0.735 16.388 1.00 13.32 H new ATOM 774 N ASP A 92 -4.766 -0.687 19.541 1.00 63.25 N ATOM 775 CA ASP A 92 -4.461 0.371 20.499 1.00 4.24 C ATOM 776 C ASP A 92 -3.543 1.418 19.877 1.00 35.45 C ATOM 777 O ASP A 92 -2.501 1.085 19.310 1.00 2.10 O ATOM 778 CB ASP A 92 -3.811 -0.219 21.751 1.00 62.54 C ATOM 779 CG ASP A 92 -4.050 0.633 22.983 1.00 72.42 C ATOM 780 OD1 ASP A 92 -4.708 1.687 22.857 1.00 34.40 O ATOM 781 OD2 ASP A 92 -3.579 0.245 24.072 1.00 24.13 O ATOM 0 H ASP A 92 -4.012 -1.359 19.400 1.00 63.25 H new ATOM 0 HA ASP A 92 -5.396 0.856 20.780 1.00 4.24 H new ATOM 0 HB2 ASP A 92 -4.204 -1.221 21.924 1.00 62.54 H new ATOM 0 HB3 ASP A 92 -2.738 -0.322 21.586 1.00 62.54 H new ATOM 785 N ILE A 93 -3.934 2.683 19.990 1.00 1.03 N ATOM 786 CA ILE A 93 -3.145 3.777 19.439 1.00 4.20 C ATOM 787 C ILE A 93 -1.693 3.693 19.898 1.00 41.01 C ATOM 788 O ILE A 93 -0.776 4.037 19.152 1.00 72.41 O ATOM 789 CB ILE A 93 -3.721 5.146 19.847 1.00 43.52 C ATOM 790 CG1 ILE A 93 -5.162 5.287 19.348 1.00 15.22 C ATOM 791 CG2 ILE A 93 -2.854 6.270 19.298 1.00 32.12 C ATOM 792 CD1 ILE A 93 -5.284 5.258 17.840 1.00 64.20 C ATOM 0 H ILE A 93 -4.792 2.975 20.458 1.00 1.03 H new ATOM 0 HA ILE A 93 -3.187 3.682 18.354 1.00 4.20 H new ATOM 0 HB ILE A 93 -3.724 5.213 20.935 1.00 43.52 H new ATOM 0 HG12 ILE A 93 -5.764 4.482 19.769 1.00 15.22 H new ATOM 0 HG13 ILE A 93 -5.577 6.224 19.720 1.00 15.22 H new ATOM 0 HG21 ILE A 93 -3.274 7.231 19.595 1.00 32.12 H new ATOM 0 HG22 ILE A 93 -1.843 6.177 19.695 1.00 32.12 H new ATOM 0 HG23 ILE A 93 -2.823 6.208 18.210 1.00 32.12 H new ATOM 0 HD11 ILE A 93 -6.332 5.363 17.558 1.00 64.20 H new ATOM 0 HD12 ILE A 93 -4.709 6.080 17.413 1.00 64.20 H new ATOM 0 HD13 ILE A 93 -4.899 4.311 17.462 1.00 64.20 H new ATOM 803 N ARG A 94 -1.493 3.232 21.128 1.00 53.14 N ATOM 804 CA ARG A 94 -0.151 3.102 21.685 1.00 1.15 C ATOM 805 C ARG A 94 0.755 2.316 20.743 1.00 40.00 C ATOM 806 O ARG A 94 1.946 2.606 20.626 1.00 12.10 O ATOM 807 CB ARG A 94 -0.208 2.412 23.050 1.00 0.43 C ATOM 808 CG ARG A 94 -0.289 3.380 24.219 1.00 3.25 C ATOM 809 CD ARG A 94 1.076 3.958 24.558 1.00 31.40 C ATOM 810 NE ARG A 94 1.389 5.133 23.749 1.00 3.43 N ATOM 811 CZ ARG A 94 2.574 5.731 23.751 1.00 62.24 C ATOM 812 NH1 ARG A 94 3.554 5.268 24.514 1.00 72.42 N ATOM 813 NH2 ARG A 94 2.782 6.797 22.987 1.00 35.34 N ATOM 0 H ARG A 94 -2.242 2.943 21.758 1.00 53.14 H new ATOM 0 HA ARG A 94 0.263 4.103 21.808 1.00 1.15 H new ATOM 0 HB2 ARG A 94 -1.073 1.750 23.077 1.00 0.43 H new ATOM 0 HB3 ARG A 94 0.676 1.786 23.168 1.00 0.43 H new ATOM 0 HG2 ARG A 94 -0.978 4.189 23.976 1.00 3.25 H new ATOM 0 HG3 ARG A 94 -0.695 2.867 25.091 1.00 3.25 H new ATOM 0 HD2 ARG A 94 1.104 4.227 25.614 1.00 31.40 H new ATOM 0 HD3 ARG A 94 1.841 3.197 24.403 1.00 31.40 H new ATOM 0 HE ARG A 94 0.657 5.515 23.150 1.00 3.43 H new ATOM 0 HH11 ARG A 94 3.399 4.449 25.102 1.00 72.42 H new ATOM 0 HH12 ARG A 94 4.463 5.730 24.513 1.00 72.42 H new ATOM 0 HH21 ARG A 94 2.031 7.157 22.398 1.00 35.34 H new ATOM 0 HH22 ARG A 94 3.693 7.256 22.989 1.00 35.34 H new ATOM 824 N ASP A 95 0.184 1.320 20.075 1.00 55.31 N ATOM 825 CA ASP A 95 0.940 0.493 19.142 1.00 40.41 C ATOM 826 C ASP A 95 1.231 1.253 17.852 1.00 20.41 C ATOM 827 O ASP A 95 2.385 1.392 17.448 1.00 74.32 O ATOM 828 CB ASP A 95 0.173 -0.792 18.829 1.00 3.51 C ATOM 829 CG ASP A 95 0.703 -1.498 17.596 1.00 32.42 C ATOM 830 OD1 ASP A 95 1.940 -1.605 17.461 1.00 52.32 O ATOM 831 OD2 ASP A 95 -0.118 -1.944 16.768 1.00 43.30 O ATOM 0 H ASP A 95 -0.800 1.066 20.162 1.00 55.31 H new ATOM 0 HA ASP A 95 1.889 0.236 19.612 1.00 40.41 H new ATOM 0 HB2 ASP A 95 0.234 -1.465 19.684 1.00 3.51 H new ATOM 0 HB3 ASP A 95 -0.881 -0.556 18.684 1.00 3.51 H new ATOM 835 N ILE A 96 0.176 1.743 17.210 1.00 24.31 N ATOM 836 CA ILE A 96 0.318 2.490 15.966 1.00 25.24 C ATOM 837 C ILE A 96 1.326 3.624 16.118 1.00 13.31 C ATOM 838 O ILE A 96 2.062 3.941 15.183 1.00 33.22 O ATOM 839 CB ILE A 96 -1.029 3.074 15.504 1.00 43.04 C ATOM 840 CG1 ILE A 96 -2.047 1.955 15.279 1.00 14.04 C ATOM 841 CG2 ILE A 96 -0.844 3.891 14.233 1.00 43.42 C ATOM 842 CD1 ILE A 96 -3.397 2.449 14.810 1.00 52.33 C ATOM 0 H ILE A 96 -0.786 1.636 17.531 1.00 24.31 H new ATOM 0 HA ILE A 96 0.677 1.787 15.214 1.00 25.24 H new ATOM 0 HB ILE A 96 -1.408 3.732 16.286 1.00 43.04 H new ATOM 0 HG12 ILE A 96 -1.649 1.256 14.543 1.00 14.04 H new ATOM 0 HG13 ILE A 96 -2.175 1.400 16.208 1.00 14.04 H new ATOM 0 HG21 ILE A 96 -1.805 4.297 13.919 1.00 43.42 H new ATOM 0 HG22 ILE A 96 -0.149 4.709 14.424 1.00 43.42 H new ATOM 0 HG23 ILE A 96 -0.445 3.252 13.445 1.00 43.42 H new ATOM 0 HD11 ILE A 96 -4.067 1.600 14.672 1.00 52.33 H new ATOM 0 HD12 ILE A 96 -3.816 3.125 15.556 1.00 52.33 H new ATOM 0 HD13 ILE A 96 -3.282 2.979 13.864 1.00 52.33 H new ATOM 853 N GLN A 97 1.355 4.229 17.301 1.00 40.30 N ATOM 854 CA GLN A 97 2.275 5.327 17.575 1.00 11.44 C ATOM 855 C GLN A 97 3.720 4.894 17.353 1.00 13.40 C ATOM 856 O GLN A 97 4.540 5.666 16.858 1.00 63.12 O ATOM 857 CB GLN A 97 2.093 5.825 19.009 1.00 53.54 C ATOM 858 CG GLN A 97 2.926 7.056 19.335 1.00 4.33 C ATOM 859 CD GLN A 97 2.508 8.271 18.531 1.00 71.22 C ATOM 860 OE1 GLN A 97 1.325 8.605 18.457 1.00 63.43 O ATOM 861 NE2 GLN A 97 3.480 8.942 17.923 1.00 63.22 N ATOM 0 H GLN A 97 0.752 3.978 18.085 1.00 40.30 H new ATOM 0 HA GLN A 97 2.049 6.139 16.884 1.00 11.44 H new ATOM 0 HB2 GLN A 97 1.040 6.054 19.175 1.00 53.54 H new ATOM 0 HB3 GLN A 97 2.357 5.024 19.700 1.00 53.54 H new ATOM 0 HG2 GLN A 97 2.837 7.280 20.398 1.00 4.33 H new ATOM 0 HG3 GLN A 97 3.977 6.841 19.142 1.00 4.33 H new ATOM 0 HE21 GLN A 97 4.447 8.630 18.011 1.00 63.22 H new ATOM 0 HE22 GLN A 97 3.259 9.769 17.368 1.00 63.22 H new ATOM 868 N GLU A 98 4.025 3.654 17.723 1.00 11.02 N ATOM 869 CA GLU A 98 5.373 3.119 17.565 1.00 63.51 C ATOM 870 C GLU A 98 5.748 3.017 16.090 1.00 54.21 C ATOM 871 O GLU A 98 6.710 3.639 15.638 1.00 64.03 O ATOM 872 CB GLU A 98 5.481 1.744 18.227 1.00 2.22 C ATOM 873 CG GLU A 98 6.893 1.184 18.239 1.00 71.10 C ATOM 874 CD GLU A 98 7.704 1.668 19.425 1.00 4.14 C ATOM 875 OE1 GLU A 98 8.225 0.815 20.175 1.00 4.22 O ATOM 876 OE2 GLU A 98 7.817 2.898 19.605 1.00 71.10 O ATOM 0 H GLU A 98 3.358 3.001 18.134 1.00 11.02 H new ATOM 0 HA GLU A 98 6.067 3.804 18.052 1.00 63.51 H new ATOM 0 HB2 GLU A 98 5.118 1.814 19.252 1.00 2.22 H new ATOM 0 HB3 GLU A 98 4.827 1.046 17.705 1.00 2.22 H new ATOM 0 HG2 GLU A 98 6.848 0.095 18.255 1.00 71.10 H new ATOM 0 HG3 GLU A 98 7.400 1.468 17.317 1.00 71.10 H new ATOM 881 N ARG A 99 4.983 2.226 15.344 1.00 63.03 N ATOM 882 CA ARG A 99 5.236 2.040 13.921 1.00 44.43 C ATOM 883 C ARG A 99 5.296 3.383 13.199 1.00 61.25 C ATOM 884 O ARG A 99 6.051 3.552 12.241 1.00 2.42 O ATOM 885 CB ARG A 99 4.147 1.163 13.298 1.00 22.53 C ATOM 886 CG ARG A 99 4.643 0.301 12.148 1.00 64.15 C ATOM 887 CD ARG A 99 5.682 -0.705 12.614 1.00 12.24 C ATOM 888 NE ARG A 99 5.912 -1.753 11.624 1.00 51.34 N ATOM 889 CZ ARG A 99 5.071 -2.758 11.408 1.00 40.20 C ATOM 890 NH1 ARG A 99 3.951 -2.851 12.110 1.00 3.03 N ATOM 891 NH2 ARG A 99 5.351 -3.673 10.488 1.00 5.31 N ATOM 0 H ARG A 99 4.183 1.704 15.702 1.00 63.03 H new ATOM 0 HA ARG A 99 6.200 1.544 13.811 1.00 44.43 H new ATOM 0 HB2 ARG A 99 3.726 0.518 14.069 1.00 22.53 H new ATOM 0 HB3 ARG A 99 3.339 1.801 12.940 1.00 22.53 H new ATOM 0 HG2 ARG A 99 3.802 -0.226 11.697 1.00 64.15 H new ATOM 0 HG3 ARG A 99 5.072 0.937 11.374 1.00 64.15 H new ATOM 0 HD2 ARG A 99 6.620 -0.189 12.820 1.00 12.24 H new ATOM 0 HD3 ARG A 99 5.355 -1.157 13.550 1.00 12.24 H new ATOM 0 HE ARG A 99 6.766 -1.711 11.067 1.00 51.34 H new ATOM 0 HH11 ARG A 99 3.733 -2.150 12.818 1.00 3.03 H new ATOM 0 HH12 ARG A 99 3.307 -3.624 11.942 1.00 3.03 H new ATOM 0 HH21 ARG A 99 6.213 -3.605 9.946 1.00 5.31 H new ATOM 0 HH22 ARG A 99 4.705 -4.445 10.323 1.00 5.31 H new ATOM 902 N PHE A 100 4.495 4.336 13.665 1.00 53.32 N ATOM 903 CA PHE A 100 4.456 5.664 13.063 1.00 14.22 C ATOM 904 C PHE A 100 5.862 6.241 12.927 1.00 35.50 C ATOM 905 O PHE A 100 6.154 6.977 11.985 1.00 54.12 O ATOM 906 CB PHE A 100 3.586 6.602 13.903 1.00 54.34 C ATOM 907 CG PHE A 100 2.916 7.678 13.098 1.00 41.21 C ATOM 908 CD1 PHE A 100 2.125 7.354 12.007 1.00 10.20 C ATOM 909 CD2 PHE A 100 3.076 9.012 13.431 1.00 64.15 C ATOM 910 CE1 PHE A 100 1.505 8.342 11.264 1.00 12.01 C ATOM 911 CE2 PHE A 100 2.459 10.005 12.692 1.00 34.14 C ATOM 912 CZ PHE A 100 1.674 9.669 11.607 1.00 21.24 C ATOM 0 H PHE A 100 3.864 4.213 14.457 1.00 53.32 H new ATOM 0 HA PHE A 100 4.023 5.572 12.067 1.00 14.22 H new ATOM 0 HB2 PHE A 100 2.824 6.016 14.416 1.00 54.34 H new ATOM 0 HB3 PHE A 100 4.203 7.066 14.672 1.00 54.34 H new ATOM 0 HD1 PHE A 100 1.991 6.318 11.734 1.00 10.20 H new ATOM 0 HD2 PHE A 100 3.690 9.281 14.278 1.00 64.15 H new ATOM 0 HE1 PHE A 100 0.890 8.076 10.417 1.00 12.01 H new ATOM 0 HE2 PHE A 100 2.591 11.042 12.963 1.00 34.14 H new ATOM 0 HZ PHE A 100 1.193 10.443 11.027 1.00 21.24 H new ATOM 921 N SER A 101 6.728 5.901 13.876 1.00 55.03 N ATOM 922 CA SER A 101 8.103 6.388 13.865 1.00 73.01 C ATOM 923 C SER A 101 8.787 6.059 12.542 1.00 11.41 C ATOM 924 O SER A 101 9.580 6.847 12.028 1.00 13.43 O ATOM 925 CB SER A 101 8.892 5.777 15.026 1.00 45.23 C ATOM 926 OG SER A 101 8.402 6.236 16.273 1.00 32.34 O ATOM 0 H SER A 101 6.503 5.291 14.662 1.00 55.03 H new ATOM 0 HA SER A 101 8.079 7.472 13.981 1.00 73.01 H new ATOM 0 HB2 SER A 101 8.825 4.690 14.983 1.00 45.23 H new ATOM 0 HB3 SER A 101 9.947 6.035 14.929 1.00 45.23 H new ATOM 0 HG SER A 101 8.921 5.830 16.998 1.00 32.34 H new ATOM 931 N GLU A 102 8.472 4.888 11.995 1.00 24.42 N ATOM 932 CA GLU A 102 9.055 4.454 10.731 1.00 21.42 C ATOM 933 C GLU A 102 8.596 5.347 9.585 1.00 41.53 C ATOM 934 O GLU A 102 9.408 5.991 8.919 1.00 64.12 O ATOM 935 CB GLU A 102 8.677 2.999 10.443 1.00 62.15 C ATOM 936 CG GLU A 102 9.595 1.988 11.110 1.00 74.14 C ATOM 937 CD GLU A 102 9.167 0.556 10.857 1.00 25.14 C ATOM 938 OE1 GLU A 102 8.750 0.252 9.720 1.00 42.41 O ATOM 939 OE2 GLU A 102 9.248 -0.262 11.797 1.00 33.22 O ATOM 0 H GLU A 102 7.817 4.224 12.408 1.00 24.42 H new ATOM 0 HA GLU A 102 10.139 4.530 10.815 1.00 21.42 H new ATOM 0 HB2 GLU A 102 7.654 2.825 10.778 1.00 62.15 H new ATOM 0 HB3 GLU A 102 8.692 2.835 9.365 1.00 62.15 H new ATOM 0 HG2 GLU A 102 10.612 2.129 10.744 1.00 74.14 H new ATOM 0 HG3 GLU A 102 9.614 2.173 12.184 1.00 74.14 H new ATOM 944 N VAL A 103 7.286 5.382 9.357 1.00 43.34 N ATOM 945 CA VAL A 103 6.716 6.197 8.289 1.00 33.35 C ATOM 946 C VAL A 103 7.101 7.662 8.452 1.00 74.32 C ATOM 947 O VAL A 103 7.331 8.367 7.470 1.00 73.13 O ATOM 948 CB VAL A 103 5.181 6.081 8.254 1.00 71.12 C ATOM 949 CG1 VAL A 103 4.587 6.436 9.609 1.00 13.31 C ATOM 950 CG2 VAL A 103 4.605 6.970 7.162 1.00 74.21 C ATOM 0 H VAL A 103 6.600 4.856 9.897 1.00 43.34 H new ATOM 0 HA VAL A 103 7.123 5.820 7.351 1.00 33.35 H new ATOM 0 HB VAL A 103 4.917 5.048 8.028 1.00 71.12 H new ATOM 0 HG11 VAL A 103 3.501 6.348 9.565 1.00 13.31 H new ATOM 0 HG12 VAL A 103 4.975 5.755 10.366 1.00 13.31 H new ATOM 0 HG13 VAL A 103 4.858 7.459 9.868 1.00 13.31 H new ATOM 0 HG21 VAL A 103 3.519 6.876 7.151 1.00 74.21 H new ATOM 0 HG22 VAL A 103 4.877 8.007 7.356 1.00 74.21 H new ATOM 0 HG23 VAL A 103 5.005 6.665 6.195 1.00 74.21 H new ATOM 960 N ARG A 104 7.171 8.115 9.700 1.00 62.30 N ATOM 961 CA ARG A 104 7.527 9.499 9.993 1.00 53.43 C ATOM 962 C ARG A 104 8.966 9.789 9.571 1.00 24.32 C ATOM 963 O ARG A 104 9.228 10.740 8.835 1.00 52.24 O ATOM 964 CB ARG A 104 7.353 9.788 11.484 1.00 23.12 C ATOM 965 CG ARG A 104 7.548 11.252 11.847 1.00 3.54 C ATOM 966 CD ARG A 104 7.206 11.513 13.306 1.00 71.43 C ATOM 967 NE ARG A 104 7.747 12.788 13.774 1.00 40.41 N ATOM 968 CZ ARG A 104 7.436 13.332 14.945 1.00 15.04 C ATOM 969 NH1 ARG A 104 6.595 12.715 15.764 1.00 50.30 N ATOM 970 NH2 ARG A 104 7.969 14.494 15.301 1.00 15.30 N ATOM 0 H ARG A 104 6.986 7.544 10.525 1.00 62.30 H new ATOM 0 HA ARG A 104 6.861 10.149 9.425 1.00 53.43 H new ATOM 0 HB2 ARG A 104 6.355 9.476 11.792 1.00 23.12 H new ATOM 0 HB3 ARG A 104 8.064 9.185 12.048 1.00 23.12 H new ATOM 0 HG2 ARG A 104 8.582 11.541 11.657 1.00 3.54 H new ATOM 0 HG3 ARG A 104 6.921 11.873 11.208 1.00 3.54 H new ATOM 0 HD2 ARG A 104 6.123 11.511 13.431 1.00 71.43 H new ATOM 0 HD3 ARG A 104 7.600 10.704 13.921 1.00 71.43 H new ATOM 0 HE ARG A 104 8.399 13.287 13.168 1.00 40.41 H new ATOM 0 HH11 ARG A 104 6.185 11.820 15.495 1.00 50.30 H new ATOM 0 HH12 ARG A 104 6.358 13.135 16.663 1.00 50.30 H new ATOM 0 HH21 ARG A 104 8.618 14.970 14.675 1.00 15.30 H new ATOM 0 HH22 ARG A 104 7.729 14.911 16.201 1.00 15.30 H new ATOM 981 N LYS A 105 9.893 8.965 10.045 1.00 63.20 N ATOM 982 CA LYS A 105 11.304 9.132 9.720 1.00 41.32 C ATOM 983 C LYS A 105 11.517 9.137 8.208 1.00 62.32 C ATOM 984 O LYS A 105 12.210 10.002 7.672 1.00 44.25 O ATOM 985 CB LYS A 105 12.132 8.014 10.356 1.00 31.33 C ATOM 986 CG LYS A 105 12.456 8.255 11.821 1.00 62.13 C ATOM 987 CD LYS A 105 13.286 7.124 12.403 1.00 30.24 C ATOM 988 CE LYS A 105 14.010 7.558 13.668 1.00 12.14 C ATOM 989 NZ LYS A 105 15.192 8.410 13.366 1.00 72.23 N ATOM 0 H LYS A 105 9.692 8.174 10.656 1.00 63.20 H new ATOM 0 HA LYS A 105 11.631 10.091 10.120 1.00 41.32 H new ATOM 0 HB2 LYS A 105 11.589 7.073 10.263 1.00 31.33 H new ATOM 0 HB3 LYS A 105 13.063 7.902 9.800 1.00 31.33 H new ATOM 0 HG2 LYS A 105 12.998 9.195 11.925 1.00 62.13 H new ATOM 0 HG3 LYS A 105 11.530 8.356 12.387 1.00 62.13 H new ATOM 0 HD2 LYS A 105 12.640 6.275 12.625 1.00 30.24 H new ATOM 0 HD3 LYS A 105 14.013 6.787 11.664 1.00 30.24 H new ATOM 0 HE2 LYS A 105 13.321 8.107 14.310 1.00 12.14 H new ATOM 0 HE3 LYS A 105 14.330 6.677 14.224 1.00 12.14 H new ATOM 0 HZ1 LYS A 105 15.753 8.545 14.231 1.00 72.23 H new ATOM 0 HZ2 LYS A 105 15.778 7.947 12.642 1.00 72.23 H new ATOM 0 HZ3 LYS A 105 14.872 9.335 13.013 1.00 72.23 H new ATOM 999 N LYS A 106 10.915 8.168 7.527 1.00 62.33 N ATOM 1000 CA LYS A 106 11.035 8.063 6.078 1.00 12.43 C ATOM 1001 C LYS A 106 10.402 9.269 5.391 1.00 14.33 C ATOM 1002 O LYS A 106 10.935 9.785 4.409 1.00 52.42 O ATOM 1003 CB LYS A 106 10.373 6.775 5.584 1.00 13.00 C ATOM 1004 CG LYS A 106 11.310 5.579 5.560 1.00 51.14 C ATOM 1005 CD LYS A 106 10.554 4.275 5.741 1.00 13.40 C ATOM 1006 CE LYS A 106 11.503 3.107 5.969 1.00 41.54 C ATOM 1007 NZ LYS A 106 12.383 3.330 7.148 1.00 1.34 N ATOM 0 H LYS A 106 10.339 7.444 7.956 1.00 62.33 H new ATOM 0 HA LYS A 106 12.095 8.039 5.826 1.00 12.43 H new ATOM 0 HB2 LYS A 106 9.521 6.546 6.224 1.00 13.00 H new ATOM 0 HB3 LYS A 106 9.982 6.940 4.580 1.00 13.00 H new ATOM 0 HG2 LYS A 106 11.851 5.559 4.614 1.00 51.14 H new ATOM 0 HG3 LYS A 106 12.054 5.682 6.350 1.00 51.14 H new ATOM 0 HD2 LYS A 106 9.873 4.363 6.588 1.00 13.40 H new ATOM 0 HD3 LYS A 106 9.943 4.082 4.859 1.00 13.40 H new ATOM 0 HE2 LYS A 106 10.926 2.193 6.114 1.00 41.54 H new ATOM 0 HE3 LYS A 106 12.117 2.959 5.080 1.00 41.54 H new ATOM 0 HZ1 LYS A 106 12.459 2.449 7.696 1.00 1.34 H new ATOM 0 HZ2 LYS A 106 13.328 3.620 6.826 1.00 1.34 H new ATOM 0 HZ3 LYS A 106 11.977 4.077 7.748 1.00 1.34 H new ATOM 1017 N MET A 107 9.264 9.713 5.914 1.00 51.40 N ATOM 1018 CA MET A 107 8.561 10.860 5.350 1.00 30.53 C ATOM 1019 C MET A 107 9.457 12.094 5.339 1.00 50.10 C ATOM 1020 O MET A 107 9.669 12.710 4.295 1.00 40.31 O ATOM 1021 CB MET A 107 7.287 11.146 6.149 1.00 75.44 C ATOM 1022 CG MET A 107 6.063 10.416 5.623 1.00 62.03 C ATOM 1023 SD MET A 107 5.375 11.189 4.146 1.00 20.53 S ATOM 1024 CE MET A 107 5.444 9.825 2.987 1.00 42.14 C ATOM 0 H MET A 107 8.809 9.297 6.727 1.00 51.40 H new ATOM 0 HA MET A 107 8.290 10.621 4.322 1.00 30.53 H new ATOM 0 HB2 MET A 107 7.449 10.863 7.189 1.00 75.44 H new ATOM 0 HB3 MET A 107 7.093 12.219 6.137 1.00 75.44 H new ATOM 0 HG2 MET A 107 6.330 9.383 5.397 1.00 62.03 H new ATOM 0 HG3 MET A 107 5.300 10.386 6.401 1.00 62.03 H new ATOM 0 HE1 MET A 107 5.051 10.147 2.023 1.00 42.14 H new ATOM 0 HE2 MET A 107 6.478 9.501 2.868 1.00 42.14 H new ATOM 0 HE3 MET A 107 4.845 8.996 3.364 1.00 42.14 H new ATOM 1032 N VAL A 108 9.980 12.452 6.508 1.00 31.43 N ATOM 1033 CA VAL A 108 10.853 13.612 6.632 1.00 50.42 C ATOM 1034 C VAL A 108 12.154 13.406 5.863 1.00 51.02 C ATOM 1035 O VAL A 108 12.700 14.346 5.286 1.00 14.23 O ATOM 1036 CB VAL A 108 11.183 13.912 8.106 1.00 10.13 C ATOM 1037 CG1 VAL A 108 11.861 12.715 8.756 1.00 42.11 C ATOM 1038 CG2 VAL A 108 12.056 15.153 8.215 1.00 31.12 C ATOM 0 H VAL A 108 9.814 11.954 7.383 1.00 31.43 H new ATOM 0 HA VAL A 108 10.314 14.460 6.209 1.00 50.42 H new ATOM 0 HB VAL A 108 10.250 14.104 8.637 1.00 10.13 H new ATOM 0 HG11 VAL A 108 12.087 12.946 9.797 1.00 42.11 H new ATOM 0 HG12 VAL A 108 11.197 11.852 8.711 1.00 42.11 H new ATOM 0 HG13 VAL A 108 12.786 12.489 8.226 1.00 42.11 H new ATOM 0 HG21 VAL A 108 12.279 15.350 9.264 1.00 31.12 H new ATOM 0 HG22 VAL A 108 12.986 14.993 7.670 1.00 31.12 H new ATOM 0 HG23 VAL A 108 11.529 16.007 7.790 1.00 31.12 H new ATOM 1048 N GLU A 109 12.643 12.170 5.860 1.00 61.20 N ATOM 1049 CA GLU A 109 13.880 11.841 5.163 1.00 53.51 C ATOM 1050 C GLU A 109 13.750 12.114 3.666 1.00 32.14 C ATOM 1051 O GLU A 109 14.679 12.614 3.033 1.00 12.22 O ATOM 1052 CB GLU A 109 14.248 10.374 5.395 1.00 53.51 C ATOM 1053 CG GLU A 109 15.398 9.891 4.528 1.00 54.54 C ATOM 1054 CD GLU A 109 15.902 8.520 4.938 1.00 41.53 C ATOM 1055 OE1 GLU A 109 15.927 7.616 4.076 1.00 3.21 O ATOM 1056 OE2 GLU A 109 16.271 8.351 6.118 1.00 74.54 O ATOM 0 H GLU A 109 12.202 11.381 6.332 1.00 61.20 H new ATOM 0 HA GLU A 109 14.672 12.474 5.563 1.00 53.51 H new ATOM 0 HB2 GLU A 109 14.512 10.236 6.444 1.00 53.51 H new ATOM 0 HB3 GLU A 109 13.373 9.754 5.202 1.00 53.51 H new ATOM 0 HG2 GLU A 109 15.075 9.859 3.487 1.00 54.54 H new ATOM 0 HG3 GLU A 109 16.217 10.607 4.586 1.00 54.54 H new ATOM 1061 N ASN A 110 12.591 11.780 3.109 1.00 33.11 N ATOM 1062 CA ASN A 110 12.338 11.987 1.688 1.00 74.11 C ATOM 1063 C ASN A 110 12.655 13.424 1.283 1.00 20.11 C ATOM 1064 O ASN A 110 13.057 13.686 0.149 1.00 13.40 O ATOM 1065 CB ASN A 110 10.881 11.660 1.354 1.00 72.23 C ATOM 1066 CG ASN A 110 10.692 11.287 -0.103 1.00 14.34 C ATOM 1067 OD1 ASN A 110 11.586 10.718 -0.731 1.00 72.42 O ATOM 1068 ND2 ASN A 110 9.524 11.605 -0.648 1.00 14.41 N ATOM 0 H ASN A 110 11.812 11.365 3.620 1.00 33.11 H new ATOM 0 HA ASN A 110 12.990 11.318 1.127 1.00 74.11 H new ATOM 0 HB2 ASN A 110 10.543 10.837 1.984 1.00 72.23 H new ATOM 0 HB3 ASN A 110 10.255 12.520 1.590 1.00 72.23 H new ATOM 0 HD21 ASN A 110 9.338 11.378 -1.625 1.00 14.41 H new ATOM 0 HD22 ASN A 110 8.812 12.076 -0.090 1.00 14.41 H new ATOM 1074 N ASP A 111 12.471 14.350 2.217 1.00 72.02 N ATOM 1075 CA ASP A 111 12.739 15.760 1.959 1.00 50.02 C ATOM 1076 C ASP A 111 11.778 16.312 0.911 1.00 72.32 C ATOM 1077 O ASP A 111 12.180 16.625 -0.210 1.00 1.23 O ATOM 1078 CB ASP A 111 14.184 15.951 1.496 1.00 13.11 C ATOM 1079 CG ASP A 111 14.681 17.365 1.717 1.00 61.34 C ATOM 1080 OD1 ASP A 111 14.541 17.874 2.849 1.00 22.41 O ATOM 1081 OD2 ASP A 111 15.211 17.964 0.757 1.00 23.41 O ATOM 0 H ASP A 111 12.137 14.150 3.160 1.00 72.02 H new ATOM 0 HA ASP A 111 12.589 16.309 2.889 1.00 50.02 H new ATOM 0 HB2 ASP A 111 14.829 15.255 2.032 1.00 13.11 H new ATOM 0 HB3 ASP A 111 14.259 15.704 0.437 1.00 13.11 H new ATOM 1085 N ASP A 112 10.508 16.430 1.283 1.00 12.35 N ATOM 1086 CA ASP A 112 9.490 16.944 0.375 1.00 15.12 C ATOM 1087 C ASP A 112 8.593 17.955 1.081 1.00 61.03 C ATOM 1088 O ASP A 112 8.249 18.995 0.517 1.00 1.32 O ATOM 1089 CB ASP A 112 8.646 15.796 -0.182 1.00 33.43 C ATOM 1090 CG ASP A 112 7.885 16.190 -1.433 1.00 21.51 C ATOM 1091 OD1 ASP A 112 6.709 16.590 -1.310 1.00 24.45 O ATOM 1092 OD2 ASP A 112 8.466 16.098 -2.534 1.00 44.12 O ATOM 0 H ASP A 112 10.159 16.177 2.207 1.00 12.35 H new ATOM 0 HA ASP A 112 9.995 17.447 -0.450 1.00 15.12 H new ATOM 0 HB2 ASP A 112 9.294 14.948 -0.406 1.00 33.43 H new ATOM 0 HB3 ASP A 112 7.940 15.465 0.580 1.00 33.43 H new ATOM 1096 N ILE A 113 8.218 17.643 2.317 1.00 65.24 N ATOM 1097 CA ILE A 113 7.361 18.526 3.100 1.00 3.42 C ATOM 1098 C ILE A 113 7.973 18.817 4.465 1.00 71.42 C ATOM 1099 O ILE A 113 9.085 18.382 4.763 1.00 12.11 O ATOM 1100 CB ILE A 113 5.959 17.918 3.297 1.00 20.24 C ATOM 1101 CG1 ILE A 113 6.060 16.565 4.005 1.00 55.15 C ATOM 1102 CG2 ILE A 113 5.252 17.771 1.959 1.00 13.42 C ATOM 1103 CD1 ILE A 113 6.008 16.667 5.514 1.00 55.42 C ATOM 0 H ILE A 113 8.494 16.787 2.798 1.00 65.24 H new ATOM 0 HA ILE A 113 7.270 19.457 2.540 1.00 3.42 H new ATOM 0 HB ILE A 113 5.373 18.591 3.923 1.00 20.24 H new ATOM 0 HG12 ILE A 113 5.247 15.924 3.664 1.00 55.15 H new ATOM 0 HG13 ILE A 113 6.992 16.080 3.714 1.00 55.15 H new ATOM 0 HG21 ILE A 113 4.263 17.340 2.115 1.00 13.42 H new ATOM 0 HG22 ILE A 113 5.151 18.750 1.491 1.00 13.42 H new ATOM 0 HG23 ILE A 113 5.834 17.117 1.310 1.00 13.42 H new ATOM 0 HD11 ILE A 113 6.085 15.670 5.949 1.00 55.42 H new ATOM 0 HD12 ILE A 113 6.837 17.281 5.866 1.00 55.42 H new ATOM 0 HD13 ILE A 113 5.065 17.123 5.816 1.00 55.42 H new ATOM 1114 N GLU A 114 7.240 19.556 5.292 1.00 3.24 N ATOM 1115 CA GLU A 114 7.711 19.905 6.627 1.00 4.15 C ATOM 1116 C GLU A 114 6.691 19.499 7.687 1.00 24.25 C ATOM 1117 O GLU A 114 6.992 18.713 8.585 1.00 12.24 O ATOM 1118 CB GLU A 114 7.988 21.407 6.717 1.00 33.24 C ATOM 1119 CG GLU A 114 8.898 21.925 5.617 1.00 3.21 C ATOM 1120 CD GLU A 114 9.437 23.312 5.910 1.00 0.11 C ATOM 1121 OE1 GLU A 114 8.805 24.037 6.708 1.00 12.43 O ATOM 1122 OE2 GLU A 114 10.489 23.672 5.343 1.00 21.00 O ATOM 0 H GLU A 114 6.317 19.925 5.061 1.00 3.24 H new ATOM 0 HA GLU A 114 8.637 19.361 6.812 1.00 4.15 H new ATOM 0 HB2 GLU A 114 7.041 21.945 6.677 1.00 33.24 H new ATOM 0 HB3 GLU A 114 8.440 21.627 7.684 1.00 33.24 H new ATOM 0 HG2 GLU A 114 9.732 21.236 5.486 1.00 3.21 H new ATOM 0 HG3 GLU A 114 8.349 21.944 4.675 1.00 3.21 H new ATOM 1127 N MET A 115 5.483 20.043 7.577 1.00 71.22 N ATOM 1128 CA MET A 115 4.419 19.738 8.525 1.00 63.11 C ATOM 1129 C MET A 115 3.076 19.608 7.813 1.00 0.24 C ATOM 1130 O MET A 115 2.026 19.870 8.397 1.00 23.31 O ATOM 1131 CB MET A 115 4.335 20.825 9.599 1.00 15.11 C ATOM 1132 CG MET A 115 5.527 20.838 10.543 1.00 21.02 C ATOM 1133 SD MET A 115 5.266 21.902 11.975 1.00 23.30 S ATOM 1134 CE MET A 115 6.898 22.614 12.170 1.00 34.55 C ATOM 0 H MET A 115 5.217 20.697 6.841 1.00 71.22 H new ATOM 0 HA MET A 115 4.653 18.785 8.999 1.00 63.11 H new ATOM 0 HB2 MET A 115 4.255 21.798 9.114 1.00 15.11 H new ATOM 0 HB3 MET A 115 3.424 20.682 10.179 1.00 15.11 H new ATOM 0 HG2 MET A 115 5.728 19.822 10.882 1.00 21.02 H new ATOM 0 HG3 MET A 115 6.411 21.174 10.001 1.00 21.02 H new ATOM 0 HE1 MET A 115 6.898 23.297 13.019 1.00 34.55 H new ATOM 0 HE2 MET A 115 7.623 21.819 12.344 1.00 34.55 H new ATOM 0 HE3 MET A 115 7.168 23.159 11.265 1.00 34.55 H new ATOM 1142 N GLN A 116 3.120 19.201 6.548 1.00 43.12 N ATOM 1143 CA GLN A 116 1.906 19.038 5.756 1.00 23.31 C ATOM 1144 C GLN A 116 1.251 17.689 6.037 1.00 41.22 C ATOM 1145 O GLN A 116 0.035 17.601 6.199 1.00 65.12 O ATOM 1146 CB GLN A 116 2.223 19.163 4.265 1.00 73.53 C ATOM 1147 CG GLN A 116 1.089 19.762 3.450 1.00 63.15 C ATOM 1148 CD GLN A 116 1.584 20.628 2.308 1.00 11.53 C ATOM 1149 OE1 GLN A 116 1.352 20.323 1.137 1.00 0.04 O ATOM 1150 NE2 GLN A 116 2.269 21.714 2.642 1.00 74.52 N ATOM 0 H GLN A 116 3.982 18.978 6.050 1.00 43.12 H new ATOM 0 HA GLN A 116 1.209 19.827 6.039 1.00 23.31 H new ATOM 0 HB2 GLN A 116 3.113 19.780 4.142 1.00 73.53 H new ATOM 0 HB3 GLN A 116 2.462 18.176 3.869 1.00 73.53 H new ATOM 0 HG2 GLN A 116 0.471 18.959 3.050 1.00 63.15 H new ATOM 0 HG3 GLN A 116 0.453 20.359 4.104 1.00 63.15 H new ATOM 0 HE21 GLN A 116 2.438 21.928 3.625 1.00 74.52 H new ATOM 0 HE22 GLN A 116 2.627 22.335 1.916 1.00 74.52 H new ATOM 1157 N ALA A 117 2.066 16.642 6.092 1.00 14.52 N ATOM 1158 CA ALA A 117 1.566 15.297 6.353 1.00 22.52 C ATOM 1159 C ALA A 117 1.037 15.177 7.779 1.00 42.53 C ATOM 1160 O ALA A 117 0.023 14.520 8.022 1.00 32.02 O ATOM 1161 CB ALA A 117 2.659 14.269 6.106 1.00 1.30 C ATOM 0 H ALA A 117 3.076 16.698 5.959 1.00 14.52 H new ATOM 0 HA ALA A 117 0.741 15.104 5.668 1.00 22.52 H new ATOM 0 HB1 ALA A 117 2.271 13.270 6.305 1.00 1.30 H new ATOM 0 HB2 ALA A 117 2.988 14.330 5.069 1.00 1.30 H new ATOM 0 HB3 ALA A 117 3.502 14.469 6.767 1.00 1.30 H new ATOM 1167 N LEU A 118 1.728 15.814 8.717 1.00 12.24 N ATOM 1168 CA LEU A 118 1.328 15.777 10.120 1.00 51.45 C ATOM 1169 C LEU A 118 0.320 16.880 10.427 1.00 11.31 C ATOM 1170 O LEU A 118 -0.677 16.651 11.111 1.00 55.41 O ATOM 1171 CB LEU A 118 2.554 15.924 11.024 1.00 64.11 C ATOM 1172 CG LEU A 118 2.393 15.421 12.459 1.00 42.41 C ATOM 1173 CD1 LEU A 118 3.752 15.249 13.120 1.00 13.42 C ATOM 1174 CD2 LEU A 118 1.524 16.377 13.264 1.00 11.22 C ATOM 0 H LEU A 118 2.568 16.362 8.532 1.00 12.24 H new ATOM 0 HA LEU A 118 0.855 14.814 10.313 1.00 51.45 H new ATOM 0 HB2 LEU A 118 3.386 15.390 10.564 1.00 64.11 H new ATOM 0 HB3 LEU A 118 2.831 16.978 11.058 1.00 64.11 H new ATOM 0 HG LEU A 118 1.900 14.449 12.430 1.00 42.41 H new ATOM 0 HD11 LEU A 118 3.617 14.890 14.141 1.00 13.42 H new ATOM 0 HD12 LEU A 118 4.342 14.526 12.556 1.00 13.42 H new ATOM 0 HD13 LEU A 118 4.272 16.207 13.138 1.00 13.42 H new ATOM 0 HD21 LEU A 118 1.420 16.004 14.283 1.00 11.22 H new ATOM 0 HD22 LEU A 118 1.990 17.362 13.284 1.00 11.22 H new ATOM 0 HD23 LEU A 118 0.539 16.450 12.802 1.00 11.22 H new ATOM 1185 N GLY A 119 0.585 18.077 9.915 1.00 74.25 N ATOM 1186 CA GLY A 119 -0.308 19.198 10.144 1.00 0.13 C ATOM 1187 C GLY A 119 -1.702 18.948 9.602 1.00 15.11 C ATOM 1188 O GLY A 119 -2.690 19.405 10.175 1.00 72.34 O ATOM 0 H GLY A 119 1.403 18.291 9.345 1.00 74.25 H new ATOM 0 HA2 GLY A 119 -0.368 19.398 11.214 1.00 0.13 H new ATOM 0 HA3 GLY A 119 0.106 20.091 9.675 1.00 0.13 H new ATOM 1192 N SER A 120 -1.781 18.220 8.492 1.00 15.15 N ATOM 1193 CA SER A 120 -3.064 17.913 7.870 1.00 54.23 C ATOM 1194 C SER A 120 -3.198 16.416 7.610 1.00 54.41 C ATOM 1195 O SER A 120 -2.386 15.619 8.077 1.00 10.43 O ATOM 1196 CB SER A 120 -3.213 18.686 6.558 1.00 44.41 C ATOM 1197 OG SER A 120 -4.568 18.726 6.142 1.00 72.34 O ATOM 0 H SER A 120 -0.973 17.832 8.006 1.00 15.15 H new ATOM 0 HA SER A 120 -3.855 18.216 8.556 1.00 54.23 H new ATOM 0 HB2 SER A 120 -2.838 19.702 6.686 1.00 44.41 H new ATOM 0 HB3 SER A 120 -2.605 18.217 5.784 1.00 44.41 H new ATOM 0 HG SER A 120 -5.153 18.668 6.926 1.00 72.34 H new ATOM 1202 N ASN A 121 -4.230 16.043 6.859 1.00 33.24 N ATOM 1203 CA ASN A 121 -4.472 14.641 6.537 1.00 71.01 C ATOM 1204 C ASN A 121 -4.219 13.752 7.750 1.00 33.21 C ATOM 1205 O ASN A 121 -3.661 12.660 7.629 1.00 31.00 O ATOM 1206 CB ASN A 121 -3.580 14.202 5.374 1.00 55.31 C ATOM 1207 CG ASN A 121 -2.104 14.318 5.701 1.00 64.12 C ATOM 1208 OD1 ASN A 121 -1.525 15.402 5.634 1.00 51.23 O ATOM 1209 ND2 ASN A 121 -1.488 13.197 6.058 1.00 41.14 N ATOM 0 H ASN A 121 -4.911 16.691 6.463 1.00 33.24 H new ATOM 0 HA ASN A 121 -5.517 14.537 6.245 1.00 71.01 H new ATOM 0 HB2 ASN A 121 -3.811 13.169 5.112 1.00 55.31 H new ATOM 0 HB3 ASN A 121 -3.804 14.811 4.498 1.00 55.31 H new ATOM 0 HD21 ASN A 121 -0.495 13.213 6.290 1.00 41.14 H new ATOM 0 HD22 ASN A 121 -2.008 12.320 6.100 1.00 41.14 H new ATOM 1215 N THR A 122 -4.633 14.225 8.921 1.00 4.23 N ATOM 1216 CA THR A 122 -4.451 13.474 10.157 1.00 70.02 C ATOM 1217 C THR A 122 -5.288 12.200 10.154 1.00 31.31 C ATOM 1218 O THR A 122 -4.880 11.176 10.703 1.00 42.32 O ATOM 1219 CB THR A 122 -4.827 14.320 11.388 1.00 24.24 C ATOM 1220 OG1 THR A 122 -4.130 15.570 11.356 1.00 32.12 O ATOM 1221 CG2 THR A 122 -4.493 13.580 12.675 1.00 15.11 C ATOM 0 H THR A 122 -5.097 15.126 9.040 1.00 4.23 H new ATOM 0 HA THR A 122 -3.395 13.211 10.215 1.00 70.02 H new ATOM 0 HB THR A 122 -5.901 14.503 11.361 1.00 24.24 H new ATOM 0 HG1 THR A 122 -4.376 16.102 12.141 1.00 32.12 H new ATOM 0 HG21 THR A 122 -4.767 14.197 13.531 1.00 15.11 H new ATOM 0 HG22 THR A 122 -5.048 12.643 12.710 1.00 15.11 H new ATOM 0 HG23 THR A 122 -3.424 13.370 12.707 1.00 15.11 H new ATOM 1229 N THR A 123 -6.461 12.269 9.533 1.00 42.42 N ATOM 1230 CA THR A 123 -7.356 11.121 9.460 1.00 44.43 C ATOM 1231 C THR A 123 -6.647 9.909 8.869 1.00 15.24 C ATOM 1232 O THR A 123 -5.771 10.045 8.015 1.00 54.11 O ATOM 1233 CB THR A 123 -8.603 11.435 8.612 1.00 2.14 C ATOM 1234 OG1 THR A 123 -8.945 12.820 8.738 1.00 53.13 O ATOM 1235 CG2 THR A 123 -9.782 10.576 9.046 1.00 2.52 C ATOM 0 H THR A 123 -6.814 13.108 9.073 1.00 42.42 H new ATOM 0 HA THR A 123 -7.666 10.896 10.480 1.00 44.43 H new ATOM 0 HB THR A 123 -8.373 11.211 7.570 1.00 2.14 H new ATOM 0 HG1 THR A 123 -9.738 13.012 8.195 1.00 53.13 H new ATOM 0 HG21 THR A 123 -10.651 10.815 8.433 1.00 2.52 H new ATOM 0 HG22 THR A 123 -9.530 9.523 8.923 1.00 2.52 H new ATOM 0 HG23 THR A 123 -10.011 10.774 10.093 1.00 2.52 H new ATOM 1243 N ILE A 124 -7.031 8.722 9.328 1.00 62.23 N ATOM 1244 CA ILE A 124 -6.432 7.485 8.843 1.00 71.42 C ATOM 1245 C ILE A 124 -7.457 6.630 8.106 1.00 1.31 C ATOM 1246 O ILE A 124 -8.656 6.710 8.374 1.00 22.25 O ATOM 1247 CB ILE A 124 -5.828 6.662 9.996 1.00 73.34 C ATOM 1248 CG1 ILE A 124 -6.934 6.150 10.920 1.00 24.44 C ATOM 1249 CG2 ILE A 124 -4.825 7.499 10.775 1.00 32.23 C ATOM 1250 CD1 ILE A 124 -7.266 4.689 10.714 1.00 13.01 C ATOM 0 H ILE A 124 -7.754 8.591 10.035 1.00 62.23 H new ATOM 0 HA ILE A 124 -5.636 7.769 8.154 1.00 71.42 H new ATOM 0 HB ILE A 124 -5.306 5.803 9.575 1.00 73.34 H new ATOM 0 HG12 ILE A 124 -6.630 6.303 11.956 1.00 24.44 H new ATOM 0 HG13 ILE A 124 -7.834 6.745 10.761 1.00 24.44 H new ATOM 0 HG21 ILE A 124 -4.407 6.904 11.587 1.00 32.23 H new ATOM 0 HG22 ILE A 124 -4.023 7.819 10.109 1.00 32.23 H new ATOM 0 HG23 ILE A 124 -5.325 8.375 11.188 1.00 32.23 H new ATOM 0 HD11 ILE A 124 -8.058 4.395 11.403 1.00 13.01 H new ATOM 0 HD12 ILE A 124 -7.601 4.533 9.688 1.00 13.01 H new ATOM 0 HD13 ILE A 124 -6.379 4.084 10.902 1.00 13.01 H new ATOM 1261 N HIS A 125 -6.977 5.810 7.176 1.00 11.10 N ATOM 1262 CA HIS A 125 -7.852 4.938 6.401 1.00 12.43 C ATOM 1263 C HIS A 125 -7.809 3.509 6.938 1.00 55.34 C ATOM 1264 O HIS A 125 -6.740 2.908 7.044 1.00 41.14 O ATOM 1265 CB HIS A 125 -7.448 4.953 4.927 1.00 71.53 C ATOM 1266 CG HIS A 125 -8.549 5.384 4.008 1.00 71.03 C ATOM 1267 ND1 HIS A 125 -8.829 6.707 3.739 1.00 54.22 N ATOM 1268 CD2 HIS A 125 -9.440 4.659 3.294 1.00 3.20 C ATOM 1269 CE1 HIS A 125 -9.846 6.777 2.899 1.00 22.12 C ATOM 1270 NE2 HIS A 125 -10.236 5.548 2.613 1.00 20.23 N ATOM 0 H HIS A 125 -5.988 5.731 6.941 1.00 11.10 H new ATOM 0 HA HIS A 125 -8.871 5.313 6.494 1.00 12.43 H new ATOM 0 HB2 HIS A 125 -6.597 5.622 4.799 1.00 71.53 H new ATOM 0 HB3 HIS A 125 -7.116 3.955 4.640 1.00 71.53 H new ATOM 0 HD1 HIS A 125 -8.329 7.507 4.128 1.00 54.22 H new ATOM 0 HD2 HIS A 125 -9.512 3.582 3.265 1.00 3.20 H new ATOM 0 HE1 HIS A 125 -10.284 7.685 2.512 1.00 22.12 H new ATOM 1277 N ALA A 126 -8.977 2.973 7.275 1.00 72.44 N ATOM 1278 CA ALA A 126 -9.073 1.616 7.799 1.00 74.42 C ATOM 1279 C ALA A 126 -9.565 0.649 6.729 1.00 3.43 C ATOM 1280 O ALA A 126 -10.703 0.745 6.268 1.00 42.42 O ATOM 1281 CB ALA A 126 -9.992 1.582 9.010 1.00 1.33 C ATOM 0 H ALA A 126 -9.871 3.458 7.195 1.00 72.44 H new ATOM 0 HA ALA A 126 -8.076 1.299 8.106 1.00 74.42 H new ATOM 0 HB1 ALA A 126 -10.054 0.563 9.391 1.00 1.33 H new ATOM 0 HB2 ALA A 126 -9.595 2.236 9.787 1.00 1.33 H new ATOM 0 HB3 ALA A 126 -10.986 1.923 8.722 1.00 1.33 H new ATOM 1287 N TYR A 127 -8.703 -0.284 6.338 1.00 62.50 N ATOM 1288 CA TYR A 127 -9.050 -1.267 5.320 1.00 3.23 C ATOM 1289 C TYR A 127 -9.372 -2.617 5.954 1.00 32.10 C ATOM 1290 O TYR A 127 -8.474 -3.408 6.248 1.00 21.21 O ATOM 1291 CB TYR A 127 -7.906 -1.422 4.318 1.00 73.11 C ATOM 1292 CG TYR A 127 -8.232 -0.895 2.939 1.00 44.02 C ATOM 1293 CD1 TYR A 127 -9.080 -1.594 2.090 1.00 52.34 C ATOM 1294 CD2 TYR A 127 -7.694 0.304 2.486 1.00 20.33 C ATOM 1295 CE1 TYR A 127 -9.381 -1.116 0.828 1.00 60.41 C ATOM 1296 CE2 TYR A 127 -7.990 0.790 1.227 1.00 21.33 C ATOM 1297 CZ TYR A 127 -8.833 0.077 0.402 1.00 11.25 C ATOM 1298 OH TYR A 127 -9.132 0.556 -0.853 1.00 33.31 O ATOM 0 H TYR A 127 -7.759 -0.379 6.711 1.00 62.50 H new ATOM 0 HA TYR A 127 -9.937 -0.911 4.796 1.00 3.23 H new ATOM 0 HB2 TYR A 127 -7.028 -0.900 4.699 1.00 73.11 H new ATOM 0 HB3 TYR A 127 -7.642 -2.477 4.241 1.00 73.11 H new ATOM 0 HD1 TYR A 127 -9.512 -2.527 2.421 1.00 52.34 H new ATOM 0 HD2 TYR A 127 -7.033 0.866 3.130 1.00 20.33 H new ATOM 0 HE1 TYR A 127 -10.041 -1.673 0.179 1.00 60.41 H new ATOM 0 HE2 TYR A 127 -7.563 1.723 0.891 1.00 21.33 H new ATOM 0 HH TYR A 127 -8.667 1.406 -0.998 1.00 33.31 H new ATOM 1307 N PHE A 128 -10.659 -2.875 6.162 1.00 62.30 N ATOM 1308 CA PHE A 128 -11.100 -4.129 6.761 1.00 63.13 C ATOM 1309 C PHE A 128 -11.217 -5.225 5.706 1.00 70.41 C ATOM 1310 O PHE A 128 -11.827 -5.028 4.655 1.00 61.21 O ATOM 1311 CB PHE A 128 -12.446 -3.936 7.463 1.00 30.14 C ATOM 1312 CG PHE A 128 -12.523 -4.607 8.805 1.00 23.42 C ATOM 1313 CD1 PHE A 128 -12.834 -3.879 9.942 1.00 62.12 C ATOM 1314 CD2 PHE A 128 -12.284 -5.966 8.930 1.00 2.34 C ATOM 1315 CE1 PHE A 128 -12.906 -4.492 11.178 1.00 23.22 C ATOM 1316 CE2 PHE A 128 -12.355 -6.586 10.164 1.00 64.02 C ATOM 1317 CZ PHE A 128 -12.666 -5.848 11.289 1.00 35.22 C ATOM 0 H PHE A 128 -11.415 -2.232 5.925 1.00 62.30 H new ATOM 0 HA PHE A 128 -10.354 -4.435 7.495 1.00 63.13 H new ATOM 0 HB2 PHE A 128 -12.632 -2.869 7.588 1.00 30.14 H new ATOM 0 HB3 PHE A 128 -13.239 -4.326 6.825 1.00 30.14 H new ATOM 0 HD1 PHE A 128 -13.023 -2.819 9.861 1.00 62.12 H new ATOM 0 HD2 PHE A 128 -12.039 -6.548 8.054 1.00 2.34 H new ATOM 0 HE1 PHE A 128 -13.149 -3.912 12.056 1.00 23.22 H new ATOM 0 HE2 PHE A 128 -12.167 -7.646 10.248 1.00 64.02 H new ATOM 0 HZ PHE A 128 -12.722 -6.330 12.254 1.00 35.22 H new ATOM 1326 N ARG A 129 -10.626 -6.380 5.994 1.00 22.15 N ATOM 1327 CA ARG A 129 -10.661 -7.507 5.071 1.00 4.50 C ATOM 1328 C ARG A 129 -11.528 -8.635 5.622 1.00 15.23 C ATOM 1329 O ARG A 129 -11.779 -8.709 6.826 1.00 13.12 O ATOM 1330 CB ARG A 129 -9.244 -8.021 4.805 1.00 25.12 C ATOM 1331 CG ARG A 129 -8.468 -7.175 3.810 1.00 55.21 C ATOM 1332 CD ARG A 129 -7.237 -7.908 3.298 1.00 5.11 C ATOM 1333 NE ARG A 129 -7.552 -8.791 2.178 1.00 23.02 N ATOM 1334 CZ ARG A 129 -6.757 -9.773 1.770 1.00 44.21 C ATOM 1335 NH1 ARG A 129 -5.605 -9.998 2.387 1.00 21.32 N ATOM 1336 NH2 ARG A 129 -7.114 -10.535 0.744 1.00 61.13 N ATOM 0 H ARG A 129 -10.117 -6.559 6.860 1.00 22.15 H new ATOM 0 HA ARG A 129 -11.097 -7.162 4.133 1.00 4.50 H new ATOM 0 HB2 ARG A 129 -8.696 -8.054 5.746 1.00 25.12 H new ATOM 0 HB3 ARG A 129 -9.301 -9.044 4.433 1.00 25.12 H new ATOM 0 HG2 ARG A 129 -9.113 -6.914 2.971 1.00 55.21 H new ATOM 0 HG3 ARG A 129 -8.166 -6.240 4.283 1.00 55.21 H new ATOM 0 HD2 ARG A 129 -6.486 -7.182 2.987 1.00 5.11 H new ATOM 0 HD3 ARG A 129 -6.800 -8.492 4.108 1.00 5.11 H new ATOM 0 HE ARG A 129 -8.431 -8.645 1.682 1.00 23.02 H new ATOM 0 HH11 ARG A 129 -5.328 -9.416 3.177 1.00 21.32 H new ATOM 0 HH12 ARG A 129 -4.996 -10.753 2.071 1.00 21.32 H new ATOM 0 HH21 ARG A 129 -8.000 -10.367 0.268 1.00 61.13 H new ATOM 0 HH22 ARG A 129 -6.502 -11.289 0.432 1.00 61.13 H new ATOM 1347 N LYS A 130 -11.983 -9.514 4.735 1.00 50.14 N ATOM 1348 CA LYS A 130 -12.820 -10.640 5.132 1.00 43.43 C ATOM 1349 C LYS A 130 -12.386 -11.190 6.485 1.00 33.55 C ATOM 1350 O LYS A 130 -11.332 -11.817 6.602 1.00 20.10 O ATOM 1351 CB LYS A 130 -12.758 -11.745 4.075 1.00 21.10 C ATOM 1352 CG LYS A 130 -11.347 -12.063 3.610 1.00 12.03 C ATOM 1353 CD LYS A 130 -11.345 -13.128 2.527 1.00 54.24 C ATOM 1354 CE LYS A 130 -9.964 -13.293 1.910 1.00 74.11 C ATOM 1355 NZ LYS A 130 -8.943 -13.663 2.929 1.00 73.41 N ATOM 0 H LYS A 130 -11.786 -9.468 3.735 1.00 50.14 H new ATOM 0 HA LYS A 130 -13.847 -10.285 5.218 1.00 43.43 H new ATOM 0 HB2 LYS A 130 -13.211 -12.650 4.480 1.00 21.10 H new ATOM 0 HB3 LYS A 130 -13.357 -11.447 3.214 1.00 21.10 H new ATOM 0 HG2 LYS A 130 -10.875 -11.157 3.231 1.00 12.03 H new ATOM 0 HG3 LYS A 130 -10.751 -12.403 4.457 1.00 12.03 H new ATOM 0 HD2 LYS A 130 -11.672 -14.078 2.949 1.00 54.24 H new ATOM 0 HD3 LYS A 130 -12.062 -12.860 1.751 1.00 54.24 H new ATOM 0 HE2 LYS A 130 -10.001 -14.061 1.137 1.00 74.11 H new ATOM 0 HE3 LYS A 130 -9.670 -12.363 1.422 1.00 74.11 H new ATOM 0 HZ1 LYS A 130 -8.048 -13.898 2.454 1.00 73.41 H new ATOM 0 HZ2 LYS A 130 -8.792 -12.863 3.576 1.00 73.41 H new ATOM 0 HZ3 LYS A 130 -9.275 -14.487 3.470 1.00 73.41 H new ATOM 1365 N ASP A 131 -13.204 -10.954 7.505 1.00 31.43 N ATOM 1366 CA ASP A 131 -12.905 -11.430 8.851 1.00 75.32 C ATOM 1367 C ASP A 131 -13.768 -12.637 9.205 1.00 75.20 C ATOM 1368 O ASP A 131 -13.300 -13.580 9.844 1.00 53.12 O ATOM 1369 CB ASP A 131 -13.127 -10.312 9.871 1.00 51.11 C ATOM 1370 CG ASP A 131 -12.307 -10.507 11.132 1.00 45.35 C ATOM 1371 OD1 ASP A 131 -12.237 -9.561 11.946 1.00 13.54 O ATOM 1372 OD2 ASP A 131 -11.737 -11.604 11.304 1.00 4.22 O ATOM 0 H ASP A 131 -14.079 -10.436 7.426 1.00 31.43 H new ATOM 0 HA ASP A 131 -11.859 -11.734 8.878 1.00 75.32 H new ATOM 0 HB2 ASP A 131 -12.869 -9.355 9.418 1.00 51.11 H new ATOM 0 HB3 ASP A 131 -14.184 -10.267 10.132 1.00 51.11 H new ATOM 1376 N TRP A 132 -15.027 -12.600 8.787 1.00 22.13 N ATOM 1377 CA TRP A 132 -15.955 -13.691 9.061 1.00 23.33 C ATOM 1378 C TRP A 132 -16.522 -14.262 7.767 1.00 12.14 C ATOM 1379 O TRP A 132 -16.776 -15.462 7.665 1.00 61.12 O ATOM 1380 CB TRP A 132 -17.093 -13.206 9.961 1.00 22.41 C ATOM 1381 CG TRP A 132 -18.129 -14.257 10.227 1.00 63.35 C ATOM 1382 CD1 TRP A 132 -19.370 -14.345 9.663 1.00 23.43 C ATOM 1383 CD2 TRP A 132 -18.014 -15.365 11.125 1.00 12.35 C ATOM 1384 NE1 TRP A 132 -20.033 -15.442 10.157 1.00 41.41 N ATOM 1385 CE2 TRP A 132 -19.223 -16.085 11.054 1.00 32.01 C ATOM 1386 CE3 TRP A 132 -17.008 -15.822 11.980 1.00 61.54 C ATOM 1387 CZ2 TRP A 132 -19.449 -17.234 11.807 1.00 22.24 C ATOM 1388 CZ3 TRP A 132 -17.234 -16.962 12.727 1.00 63.01 C ATOM 1389 CH2 TRP A 132 -18.447 -17.659 12.636 1.00 73.55 C ATOM 0 H TRP A 132 -15.429 -11.827 8.257 1.00 22.13 H new ATOM 0 HA TRP A 132 -15.406 -14.481 9.574 1.00 23.33 H new ATOM 0 HB2 TRP A 132 -16.677 -12.867 10.910 1.00 22.41 H new ATOM 0 HB3 TRP A 132 -17.571 -12.344 9.497 1.00 22.41 H new ATOM 0 HD1 TRP A 132 -19.771 -13.654 8.936 1.00 23.43 H new ATOM 0 HE1 TRP A 132 -20.976 -15.731 9.897 1.00 41.41 H new ATOM 0 HE3 TRP A 132 -16.069 -15.293 12.056 1.00 61.54 H new ATOM 0 HZ2 TRP A 132 -20.383 -17.771 11.739 1.00 22.24 H new ATOM 0 HZ3 TRP A 132 -16.463 -17.322 13.392 1.00 63.01 H new ATOM 0 HH2 TRP A 132 -18.593 -18.548 13.231 1.00 73.55 H new ATOM 1399 N SER A 133 -16.719 -13.395 6.779 1.00 52.43 N ATOM 1400 CA SER A 133 -17.260 -13.813 5.491 1.00 73.13 C ATOM 1401 C SER A 133 -16.364 -13.344 4.347 1.00 64.31 C ATOM 1402 O SER A 133 -15.467 -12.524 4.543 1.00 62.32 O ATOM 1403 CB SER A 133 -18.674 -13.262 5.304 1.00 63.41 C ATOM 1404 OG SER A 133 -19.638 -14.121 5.891 1.00 54.24 O ATOM 0 H SER A 133 -16.512 -12.398 6.846 1.00 52.43 H new ATOM 0 HA SER A 133 -17.298 -14.902 5.478 1.00 73.13 H new ATOM 0 HB2 SER A 133 -18.744 -12.271 5.753 1.00 63.41 H new ATOM 0 HB3 SER A 133 -18.885 -13.146 4.241 1.00 63.41 H new ATOM 0 HG SER A 133 -20.534 -13.746 5.759 1.00 54.24 H new ATOM 1409 N ASP A 134 -16.616 -13.871 3.154 1.00 72.53 N ATOM 1410 CA ASP A 134 -15.834 -13.505 1.978 1.00 10.45 C ATOM 1411 C ASP A 134 -16.208 -12.111 1.488 1.00 63.41 C ATOM 1412 O ASP A 134 -16.878 -11.958 0.465 1.00 12.04 O ATOM 1413 CB ASP A 134 -16.048 -14.528 0.860 1.00 64.11 C ATOM 1414 CG ASP A 134 -17.513 -14.699 0.506 1.00 14.24 C ATOM 1415 OD1 ASP A 134 -17.904 -14.302 -0.612 1.00 71.24 O ATOM 1416 OD2 ASP A 134 -18.267 -15.231 1.346 1.00 1.33 O ATOM 0 H ASP A 134 -17.354 -14.552 2.975 1.00 72.53 H new ATOM 0 HA ASP A 134 -14.781 -13.500 2.259 1.00 10.45 H new ATOM 0 HB2 ASP A 134 -15.497 -14.214 -0.027 1.00 64.11 H new ATOM 0 HB3 ASP A 134 -15.637 -15.489 1.167 1.00 64.11 H new ATOM 1420 N LYS A 135 -15.774 -11.093 2.224 1.00 15.35 N ATOM 1421 CA LYS A 135 -16.062 -9.710 1.866 1.00 44.52 C ATOM 1422 C LYS A 135 -14.917 -8.791 2.276 1.00 31.23 C ATOM 1423 O LYS A 135 -13.969 -9.221 2.933 1.00 60.31 O ATOM 1424 CB LYS A 135 -17.363 -9.250 2.530 1.00 14.13 C ATOM 1425 CG LYS A 135 -17.186 -8.810 3.973 1.00 32.24 C ATOM 1426 CD LYS A 135 -16.740 -9.963 4.857 1.00 3.24 C ATOM 1427 CE LYS A 135 -16.791 -9.589 6.330 1.00 30.13 C ATOM 1428 NZ LYS A 135 -18.186 -9.580 6.852 1.00 61.42 N ATOM 0 H LYS A 135 -15.220 -11.201 3.074 1.00 15.35 H new ATOM 0 HA LYS A 135 -16.175 -9.658 0.783 1.00 44.52 H new ATOM 0 HB2 LYS A 135 -17.782 -8.424 1.956 1.00 14.13 H new ATOM 0 HB3 LYS A 135 -18.087 -10.064 2.493 1.00 14.13 H new ATOM 0 HG2 LYS A 135 -16.450 -8.007 4.022 1.00 32.24 H new ATOM 0 HG3 LYS A 135 -18.126 -8.405 4.349 1.00 32.24 H new ATOM 0 HD2 LYS A 135 -17.379 -10.828 4.678 1.00 3.24 H new ATOM 0 HD3 LYS A 135 -15.725 -10.256 4.590 1.00 3.24 H new ATOM 0 HE2 LYS A 135 -16.193 -10.296 6.905 1.00 30.13 H new ATOM 0 HE3 LYS A 135 -16.344 -8.605 6.470 1.00 30.13 H new ATOM 0 HZ1 LYS A 135 -18.316 -8.763 7.482 1.00 61.42 H new ATOM 0 HZ2 LYS A 135 -18.854 -9.514 6.057 1.00 61.42 H new ATOM 0 HZ3 LYS A 135 -18.364 -10.457 7.381 1.00 61.42 H new ATOM 1438 N ALA A 136 -15.011 -7.525 1.886 1.00 62.32 N ATOM 1439 CA ALA A 136 -13.985 -6.545 2.217 1.00 72.53 C ATOM 1440 C ALA A 136 -14.598 -5.174 2.483 1.00 71.31 C ATOM 1441 O ALA A 136 -15.283 -4.613 1.628 1.00 42.15 O ATOM 1442 CB ALA A 136 -12.958 -6.456 1.097 1.00 34.44 C ATOM 0 H ALA A 136 -15.788 -7.153 1.340 1.00 62.32 H new ATOM 0 HA ALA A 136 -13.486 -6.874 3.129 1.00 72.53 H new ATOM 0 HB1 ALA A 136 -12.198 -5.720 1.358 1.00 34.44 H new ATOM 0 HB2 ALA A 136 -12.488 -7.429 0.956 1.00 34.44 H new ATOM 0 HB3 ALA A 136 -13.452 -6.155 0.173 1.00 34.44 H new ATOM 1448 N LEU A 137 -14.350 -4.641 3.674 1.00 61.50 N ATOM 1449 CA LEU A 137 -14.878 -3.335 4.055 1.00 44.52 C ATOM 1450 C LEU A 137 -13.790 -2.268 3.996 1.00 1.13 C ATOM 1451 O LEU A 137 -12.640 -2.519 4.355 1.00 34.24 O ATOM 1452 CB LEU A 137 -15.476 -3.395 5.462 1.00 42.42 C ATOM 1453 CG LEU A 137 -16.837 -2.723 5.641 1.00 62.42 C ATOM 1454 CD1 LEU A 137 -16.784 -1.277 5.174 1.00 65.44 C ATOM 1455 CD2 LEU A 137 -17.915 -3.489 4.888 1.00 21.13 C ATOM 0 H LEU A 137 -13.786 -5.093 4.394 1.00 61.50 H new ATOM 0 HA LEU A 137 -15.661 -3.067 3.346 1.00 44.52 H new ATOM 0 HB2 LEU A 137 -15.569 -4.442 5.751 1.00 42.42 H new ATOM 0 HB3 LEU A 137 -14.772 -2.934 6.155 1.00 42.42 H new ATOM 0 HG LEU A 137 -17.087 -2.732 6.702 1.00 62.42 H new ATOM 0 HD11 LEU A 137 -17.762 -0.815 5.309 1.00 65.44 H new ATOM 0 HD12 LEU A 137 -16.042 -0.733 5.758 1.00 65.44 H new ATOM 0 HD13 LEU A 137 -16.510 -1.245 4.119 1.00 65.44 H new ATOM 0 HD21 LEU A 137 -18.877 -2.995 5.027 1.00 21.13 H new ATOM 0 HD22 LEU A 137 -17.670 -3.513 3.826 1.00 21.13 H new ATOM 0 HD23 LEU A 137 -17.971 -4.508 5.270 1.00 21.13 H new ATOM 1466 N LYS A 138 -14.162 -1.076 3.542 1.00 34.24 N ATOM 1467 CA LYS A 138 -13.218 0.031 3.440 1.00 44.23 C ATOM 1468 C LYS A 138 -13.806 1.304 4.042 1.00 50.41 C ATOM 1469 O LYS A 138 -14.687 1.931 3.453 1.00 14.30 O ATOM 1470 CB LYS A 138 -12.842 0.274 1.976 1.00 10.13 C ATOM 1471 CG LYS A 138 -11.854 1.410 1.782 1.00 31.40 C ATOM 1472 CD LYS A 138 -11.786 1.849 0.329 1.00 73.41 C ATOM 1473 CE LYS A 138 -10.967 3.120 0.168 1.00 72.23 C ATOM 1474 NZ LYS A 138 -10.875 3.545 -1.256 1.00 52.41 N ATOM 0 H LYS A 138 -15.110 -0.852 3.239 1.00 34.24 H new ATOM 0 HA LYS A 138 -12.322 -0.235 4.000 1.00 44.23 H new ATOM 0 HB2 LYS A 138 -12.417 -0.640 1.562 1.00 10.13 H new ATOM 0 HB3 LYS A 138 -13.747 0.490 1.408 1.00 10.13 H new ATOM 0 HG2 LYS A 138 -12.144 2.256 2.405 1.00 31.40 H new ATOM 0 HG3 LYS A 138 -10.865 1.094 2.114 1.00 31.40 H new ATOM 0 HD2 LYS A 138 -11.346 1.053 -0.272 1.00 73.41 H new ATOM 0 HD3 LYS A 138 -12.795 2.015 -0.050 1.00 73.41 H new ATOM 0 HE2 LYS A 138 -11.417 3.919 0.757 1.00 72.23 H new ATOM 0 HE3 LYS A 138 -9.964 2.958 0.564 1.00 72.23 H new ATOM 0 HZ1 LYS A 138 -10.309 4.415 -1.323 1.00 52.41 H new ATOM 0 HZ2 LYS A 138 -10.422 2.793 -1.814 1.00 52.41 H new ATOM 0 HZ3 LYS A 138 -11.830 3.724 -1.627 1.00 52.41 H new ATOM 1484 N ILE A 139 -13.312 1.679 5.216 1.00 22.44 N ATOM 1485 CA ILE A 139 -13.786 2.878 5.897 1.00 2.31 C ATOM 1486 C ILE A 139 -12.639 3.612 6.582 1.00 62.05 C ATOM 1487 O ILE A 139 -11.707 2.990 7.092 1.00 40.30 O ATOM 1488 CB ILE A 139 -14.864 2.541 6.945 1.00 53.22 C ATOM 1489 CG1 ILE A 139 -15.480 3.825 7.504 1.00 61.43 C ATOM 1490 CG2 ILE A 139 -14.270 1.700 8.063 1.00 30.31 C ATOM 1491 CD1 ILE A 139 -16.607 3.578 8.483 1.00 33.32 C ATOM 0 H ILE A 139 -12.583 1.170 5.716 1.00 22.44 H new ATOM 0 HA ILE A 139 -14.221 3.523 5.134 1.00 2.31 H new ATOM 0 HB ILE A 139 -15.652 1.963 6.463 1.00 53.22 H new ATOM 0 HG12 ILE A 139 -14.702 4.407 7.998 1.00 61.43 H new ATOM 0 HG13 ILE A 139 -15.854 4.429 6.677 1.00 61.43 H new ATOM 0 HG21 ILE A 139 -15.044 1.470 8.796 1.00 30.31 H new ATOM 0 HG22 ILE A 139 -13.874 0.772 7.650 1.00 30.31 H new ATOM 0 HG23 ILE A 139 -13.465 2.254 8.547 1.00 30.31 H new ATOM 0 HD11 ILE A 139 -16.996 4.532 8.838 1.00 33.32 H new ATOM 0 HD12 ILE A 139 -17.404 3.023 7.988 1.00 33.32 H new ATOM 0 HD13 ILE A 139 -16.234 3.001 9.329 1.00 33.32 H new ATOM 1502 N ASP A 140 -12.715 4.938 6.591 1.00 34.22 N ATOM 1503 CA ASP A 140 -11.683 5.758 7.216 1.00 24.11 C ATOM 1504 C ASP A 140 -12.101 6.177 8.622 1.00 22.21 C ATOM 1505 O ASP A 140 -13.285 6.383 8.895 1.00 33.40 O ATOM 1506 CB ASP A 140 -11.401 6.997 6.365 1.00 2.42 C ATOM 1507 CG ASP A 140 -12.671 7.671 5.884 1.00 24.51 C ATOM 1508 OD1 ASP A 140 -13.681 7.625 6.618 1.00 63.35 O ATOM 1509 OD2 ASP A 140 -12.654 8.245 4.776 1.00 61.34 O ATOM 0 H ASP A 140 -13.480 5.468 6.173 1.00 34.22 H new ATOM 0 HA ASP A 140 -10.774 5.162 7.288 1.00 24.11 H new ATOM 0 HB2 ASP A 140 -10.814 7.708 6.947 1.00 2.42 H new ATOM 0 HB3 ASP A 140 -10.796 6.713 5.504 1.00 2.42 H new ATOM 1513 N LEU A 141 -11.122 6.300 9.512 1.00 61.31 N ATOM 1514 CA LEU A 141 -11.388 6.693 10.892 1.00 71.50 C ATOM 1515 C LEU A 141 -10.650 7.981 11.243 1.00 54.30 C ATOM 1516 O LEU A 141 -9.556 8.237 10.741 1.00 73.24 O ATOM 1517 CB LEU A 141 -10.972 5.576 11.851 1.00 14.30 C ATOM 1518 CG LEU A 141 -11.898 4.360 11.907 1.00 72.44 C ATOM 1519 CD1 LEU A 141 -11.197 3.186 12.574 1.00 62.44 C ATOM 1520 CD2 LEU A 141 -13.185 4.704 12.642 1.00 31.01 C ATOM 0 H LEU A 141 -10.138 6.133 9.303 1.00 61.31 H new ATOM 0 HA LEU A 141 -12.459 6.870 10.993 1.00 71.50 H new ATOM 0 HB2 LEU A 141 -9.975 5.236 11.570 1.00 14.30 H new ATOM 0 HB3 LEU A 141 -10.895 5.996 12.854 1.00 14.30 H new ATOM 0 HG LEU A 141 -12.152 4.072 10.887 1.00 72.44 H new ATOM 0 HD11 LEU A 141 -11.871 2.330 12.605 1.00 62.44 H new ATOM 0 HD12 LEU A 141 -10.304 2.925 12.006 1.00 62.44 H new ATOM 0 HD13 LEU A 141 -10.913 3.461 13.590 1.00 62.44 H new ATOM 0 HD21 LEU A 141 -13.832 3.827 12.672 1.00 31.01 H new ATOM 0 HD22 LEU A 141 -12.950 5.017 13.659 1.00 31.01 H new ATOM 0 HD23 LEU A 141 -13.696 5.514 12.122 1.00 31.01 H new ATOM 1531 N MET A 142 -11.256 8.787 12.109 1.00 70.25 N ATOM 1532 CA MET A 142 -10.653 10.047 12.530 1.00 43.44 C ATOM 1533 C MET A 142 -10.509 10.100 14.047 1.00 21.12 C ATOM 1534 O MET A 142 -11.204 9.403 14.786 1.00 43.14 O ATOM 1535 CB MET A 142 -11.498 11.228 12.044 1.00 15.44 C ATOM 1536 CG MET A 142 -12.994 11.005 12.190 1.00 12.12 C ATOM 1537 SD MET A 142 -13.905 12.543 12.428 1.00 14.14 S ATOM 1538 CE MET A 142 -15.218 11.994 13.514 1.00 23.33 C ATOM 0 H MET A 142 -12.163 8.591 12.533 1.00 70.25 H new ATOM 0 HA MET A 142 -9.660 10.113 12.086 1.00 43.44 H new ATOM 0 HB2 MET A 142 -11.216 12.120 12.603 1.00 15.44 H new ATOM 0 HB3 MET A 142 -11.268 11.422 10.996 1.00 15.44 H new ATOM 0 HG2 MET A 142 -13.370 10.498 11.302 1.00 12.12 H new ATOM 0 HG3 MET A 142 -13.178 10.343 13.036 1.00 12.12 H new ATOM 0 HE1 MET A 142 -15.868 12.835 13.753 1.00 23.33 H new ATOM 0 HE2 MET A 142 -15.799 11.216 13.018 1.00 23.33 H new ATOM 0 HE3 MET A 142 -14.788 11.596 14.433 1.00 23.33 H new ATOM 1546 N PRO A 143 -9.584 10.946 14.525 1.00 52.31 N ATOM 1547 CA PRO A 143 -9.326 11.110 15.959 1.00 43.12 C ATOM 1548 C PRO A 143 -10.476 11.807 16.678 1.00 25.11 C ATOM 1549 O PRO A 143 -10.408 13.002 16.969 1.00 31.24 O ATOM 1550 CB PRO A 143 -8.067 11.981 15.996 1.00 3.22 C ATOM 1551 CG PRO A 143 -8.087 12.730 14.708 1.00 63.11 C ATOM 1552 CD PRO A 143 -8.719 11.808 13.702 1.00 32.32 C ATOM 0 HA PRO A 143 -9.213 10.151 16.465 1.00 43.12 H new ATOM 0 HB2 PRO A 143 -8.080 12.660 16.849 1.00 3.22 H new ATOM 0 HB3 PRO A 143 -7.167 11.373 16.086 1.00 3.22 H new ATOM 0 HG2 PRO A 143 -8.657 13.654 14.803 1.00 63.11 H new ATOM 0 HG3 PRO A 143 -7.078 13.008 14.403 1.00 63.11 H new ATOM 0 HD2 PRO A 143 -9.293 12.359 12.957 1.00 32.32 H new ATOM 0 HD3 PRO A 143 -7.970 11.228 13.163 1.00 32.32 H new ATOM 1557 N HIS A 144 -11.534 11.054 16.962 1.00 1.24 N ATOM 1558 CA HIS A 144 -12.700 11.599 17.648 1.00 33.43 C ATOM 1559 C HIS A 144 -12.297 12.250 18.969 1.00 54.11 C ATOM 1560 O HIS A 144 -11.280 11.894 19.562 1.00 30.50 O ATOM 1561 CB HIS A 144 -13.730 10.498 17.903 1.00 73.11 C ATOM 1562 CG HIS A 144 -13.246 9.429 18.834 1.00 11.12 C ATOM 1563 ND1 HIS A 144 -13.661 9.328 20.145 1.00 30.01 N ATOM 1564 CD2 HIS A 144 -12.378 8.409 18.637 1.00 72.42 C ATOM 1565 CE1 HIS A 144 -13.068 8.294 20.714 1.00 10.23 C ATOM 1566 NE2 HIS A 144 -12.285 7.719 19.820 1.00 35.43 N ATOM 0 H HIS A 144 -11.608 10.064 16.727 1.00 1.24 H new ATOM 0 HA HIS A 144 -13.145 12.360 17.007 1.00 33.43 H new ATOM 0 HB2 HIS A 144 -14.634 10.946 18.316 1.00 73.11 H new ATOM 0 HB3 HIS A 144 -14.006 10.042 16.952 1.00 73.11 H new ATOM 0 HD2 HIS A 144 -11.856 8.181 17.720 1.00 72.42 H new ATOM 0 HE1 HIS A 144 -13.201 7.973 21.737 1.00 10.23 H new ATOM 0 HE2 HIS A 144 -11.705 6.896 19.982 1.00 35.43 H new ATOM 1930 N THR A 169 -15.946 12.868 7.491 1.00 31.42 N ATOM 1931 CA THR A 169 -15.339 12.006 6.485 1.00 33.03 C ATOM 1932 C THR A 169 -16.402 11.256 5.690 1.00 60.12 C ATOM 1933 O THR A 169 -17.573 11.238 6.065 1.00 5.14 O ATOM 1934 CB THR A 169 -14.378 10.985 7.125 1.00 64.42 C ATOM 1935 OG1 THR A 169 -13.669 10.274 6.106 1.00 74.23 O ATOM 1936 CG2 THR A 169 -15.139 10.002 8.002 1.00 4.44 C ATOM 0 HA THR A 169 -14.775 12.653 5.813 1.00 33.03 H new ATOM 0 HB THR A 169 -13.668 11.529 7.748 1.00 64.42 H new ATOM 0 HG1 THR A 169 -12.706 10.424 6.212 1.00 74.23 H new ATOM 0 HG21 THR A 169 -14.440 9.291 8.443 1.00 4.44 H new ATOM 0 HG22 THR A 169 -15.653 10.545 8.795 1.00 4.44 H new ATOM 0 HG23 THR A 169 -15.870 9.465 7.397 1.00 4.44 H new ATOM 1944 N GLY A 170 -15.985 10.637 4.590 1.00 73.22 N ATOM 1945 CA GLY A 170 -16.914 9.894 3.759 1.00 31.24 C ATOM 1946 C GLY A 170 -17.381 8.611 4.418 1.00 42.33 C ATOM 1947 O GLY A 170 -16.811 8.153 5.408 1.00 33.12 O ATOM 0 H GLY A 170 -15.020 10.637 4.259 1.00 73.22 H new ATOM 0 HA2 GLY A 170 -17.778 10.520 3.536 1.00 31.24 H new ATOM 0 HA3 GLY A 170 -16.437 9.658 2.808 1.00 31.24 H new ATOM 1951 N PRO A 171 -18.445 8.010 3.864 1.00 54.23 N ATOM 1952 CA PRO A 171 -19.012 6.764 4.388 1.00 51.10 C ATOM 1953 C PRO A 171 -18.094 5.568 4.161 1.00 42.40 C ATOM 1954 O PRO A 171 -16.946 5.725 3.748 1.00 32.14 O ATOM 1955 CB PRO A 171 -20.309 6.603 3.590 1.00 23.25 C ATOM 1956 CG PRO A 171 -20.069 7.346 2.322 1.00 42.41 C ATOM 1957 CD PRO A 171 -19.173 8.499 2.682 1.00 42.12 C ATOM 0 HA PRO A 171 -19.161 6.805 5.467 1.00 51.10 H new ATOM 0 HB2 PRO A 171 -20.528 5.553 3.398 1.00 23.25 H new ATOM 0 HB3 PRO A 171 -21.161 7.012 4.133 1.00 23.25 H new ATOM 0 HG2 PRO A 171 -19.599 6.704 1.577 1.00 42.41 H new ATOM 0 HG3 PRO A 171 -21.007 7.699 1.893 1.00 42.41 H new ATOM 0 HD2 PRO A 171 -18.494 8.750 1.867 1.00 42.12 H new ATOM 0 HD3 PRO A 171 -19.746 9.398 2.907 1.00 42.12 H new ATOM 1962 N ALA A 172 -18.609 4.373 4.433 1.00 62.20 N ATOM 1963 CA ALA A 172 -17.836 3.150 4.255 1.00 24.51 C ATOM 1964 C ALA A 172 -18.169 2.478 2.928 1.00 75.04 C ATOM 1965 O ALA A 172 -19.192 2.773 2.311 1.00 2.32 O ATOM 1966 CB ALA A 172 -18.089 2.194 5.412 1.00 43.32 C ATOM 0 H ALA A 172 -19.558 4.226 4.777 1.00 62.20 H new ATOM 0 HA ALA A 172 -16.779 3.416 4.241 1.00 24.51 H new ATOM 0 HB1 ALA A 172 -17.506 1.285 5.267 1.00 43.32 H new ATOM 0 HB2 ALA A 172 -17.794 2.669 6.348 1.00 43.32 H new ATOM 0 HB3 ALA A 172 -19.149 1.943 5.451 1.00 43.32 H new ATOM 1972 N VAL A 173 -17.297 1.574 2.493 1.00 2.33 N ATOM 1973 CA VAL A 173 -17.499 0.859 1.239 1.00 10.11 C ATOM 1974 C VAL A 173 -17.436 -0.650 1.449 1.00 60.02 C ATOM 1975 O VAL A 173 -16.407 -1.187 1.858 1.00 20.21 O ATOM 1976 CB VAL A 173 -16.449 1.264 0.187 1.00 55.42 C ATOM 1977 CG1 VAL A 173 -16.753 0.608 -1.152 1.00 64.01 C ATOM 1978 CG2 VAL A 173 -16.391 2.777 0.048 1.00 11.23 C ATOM 0 H VAL A 173 -16.444 1.320 2.991 1.00 2.33 H new ATOM 0 HA VAL A 173 -18.490 1.131 0.876 1.00 10.11 H new ATOM 0 HB VAL A 173 -15.472 0.915 0.521 1.00 55.42 H new ATOM 0 HG11 VAL A 173 -16.001 0.906 -1.882 1.00 64.01 H new ATOM 0 HG12 VAL A 173 -16.739 -0.476 -1.038 1.00 64.01 H new ATOM 0 HG13 VAL A 173 -17.738 0.923 -1.496 1.00 64.01 H new ATOM 0 HG21 VAL A 173 -15.644 3.045 -0.699 1.00 11.23 H new ATOM 0 HG22 VAL A 173 -17.366 3.151 -0.263 1.00 11.23 H new ATOM 0 HG23 VAL A 173 -16.121 3.220 1.006 1.00 11.23 H new ATOM 1988 N GLU A 174 -18.544 -1.328 1.167 1.00 50.33 N ATOM 1989 CA GLU A 174 -18.614 -2.775 1.325 1.00 11.24 C ATOM 1990 C GLU A 174 -18.600 -3.474 -0.032 1.00 72.33 C ATOM 1991 O GLU A 174 -19.521 -3.316 -0.833 1.00 4.31 O ATOM 1992 CB GLU A 174 -19.876 -3.166 2.099 1.00 61.25 C ATOM 1993 CG GLU A 174 -21.135 -2.486 1.591 1.00 65.15 C ATOM 1994 CD GLU A 174 -22.349 -3.394 1.639 1.00 23.52 C ATOM 1995 OE1 GLU A 174 -22.589 -4.005 2.702 1.00 12.24 O ATOM 1996 OE2 GLU A 174 -23.058 -3.493 0.617 1.00 21.21 O ATOM 0 H GLU A 174 -19.405 -0.898 0.828 1.00 50.33 H new ATOM 0 HA GLU A 174 -17.737 -3.095 1.888 1.00 11.24 H new ATOM 0 HB2 GLU A 174 -20.008 -4.246 2.041 1.00 61.25 H new ATOM 0 HB3 GLU A 174 -19.738 -2.918 3.151 1.00 61.25 H new ATOM 0 HG2 GLU A 174 -21.329 -1.595 2.189 1.00 65.15 H new ATOM 0 HG3 GLU A 174 -20.975 -2.153 0.565 1.00 65.15 H new ATOM 2001 N VAL A 175 -17.548 -4.245 -0.283 1.00 73.01 N ATOM 2002 CA VAL A 175 -17.412 -4.968 -1.542 1.00 61.21 C ATOM 2003 C VAL A 175 -16.684 -6.293 -1.340 1.00 52.24 C ATOM 2004 O VAL A 175 -15.811 -6.408 -0.480 1.00 74.34 O ATOM 2005 CB VAL A 175 -16.654 -4.132 -2.590 1.00 11.15 C ATOM 2006 CG1 VAL A 175 -16.604 -4.865 -3.923 1.00 74.44 C ATOM 2007 CG2 VAL A 175 -17.299 -2.765 -2.748 1.00 45.45 C ATOM 0 H VAL A 175 -16.776 -4.386 0.369 1.00 73.01 H new ATOM 0 HA VAL A 175 -18.421 -5.164 -1.905 1.00 61.21 H new ATOM 0 HB VAL A 175 -15.631 -3.987 -2.243 1.00 11.15 H new ATOM 0 HG11 VAL A 175 -16.065 -4.259 -4.651 1.00 74.44 H new ATOM 0 HG12 VAL A 175 -16.093 -5.819 -3.795 1.00 74.44 H new ATOM 0 HG13 VAL A 175 -17.619 -5.042 -4.279 1.00 74.44 H new ATOM 0 HG21 VAL A 175 -16.751 -2.188 -3.492 1.00 45.45 H new ATOM 0 HG22 VAL A 175 -18.333 -2.886 -3.072 1.00 45.45 H new ATOM 0 HG23 VAL A 175 -17.277 -2.240 -1.793 1.00 45.45 H new ATOM 2017 N ASP A 176 -17.049 -7.289 -2.138 1.00 72.10 N ATOM 2018 CA ASP A 176 -16.430 -8.606 -2.049 1.00 12.33 C ATOM 2019 C ASP A 176 -14.941 -8.531 -2.376 1.00 64.22 C ATOM 2020 O ASP A 176 -14.526 -7.776 -3.255 1.00 61.33 O ATOM 2021 CB ASP A 176 -17.123 -9.586 -2.997 1.00 44.33 C ATOM 2022 CG ASP A 176 -18.528 -9.933 -2.545 1.00 35.43 C ATOM 2023 OD1 ASP A 176 -19.384 -10.200 -3.415 1.00 72.43 O ATOM 2024 OD2 ASP A 176 -18.771 -9.941 -1.320 1.00 0.23 O ATOM 0 H ASP A 176 -17.771 -7.210 -2.854 1.00 72.10 H new ATOM 0 HA ASP A 176 -16.542 -8.963 -1.025 1.00 12.33 H new ATOM 0 HB2 ASP A 176 -17.162 -9.154 -3.997 1.00 44.33 H new ATOM 0 HB3 ASP A 176 -16.531 -10.499 -3.068 1.00 44.33 H new ATOM 2028 N VAL A 177 -14.143 -9.317 -1.661 1.00 50.02 N ATOM 2029 CA VAL A 177 -12.700 -9.339 -1.875 1.00 44.23 C ATOM 2030 C VAL A 177 -12.363 -9.747 -3.305 1.00 43.24 C ATOM 2031 O VAL A 177 -11.406 -9.247 -3.896 1.00 72.21 O ATOM 2032 CB VAL A 177 -12.003 -10.305 -0.900 1.00 4.24 C ATOM 2033 CG1 VAL A 177 -12.167 -9.827 0.535 1.00 1.42 C ATOM 2034 CG2 VAL A 177 -12.549 -11.716 -1.066 1.00 64.10 C ATOM 0 H VAL A 177 -14.471 -9.947 -0.929 1.00 50.02 H new ATOM 0 HA VAL A 177 -12.338 -8.327 -1.694 1.00 44.23 H new ATOM 0 HB VAL A 177 -10.938 -10.322 -1.133 1.00 4.24 H new ATOM 0 HG11 VAL A 177 -11.668 -10.523 1.210 1.00 1.42 H new ATOM 0 HG12 VAL A 177 -11.724 -8.837 0.642 1.00 1.42 H new ATOM 0 HG13 VAL A 177 -13.227 -9.779 0.783 1.00 1.42 H new ATOM 0 HG21 VAL A 177 -12.045 -12.386 -0.369 1.00 64.10 H new ATOM 0 HG22 VAL A 177 -13.620 -11.718 -0.861 1.00 64.10 H new ATOM 0 HG23 VAL A 177 -12.374 -12.056 -2.087 1.00 64.10 H new ATOM 2044 N LYS A 178 -13.157 -10.657 -3.858 1.00 43.30 N ATOM 2045 CA LYS A 178 -12.946 -11.133 -5.220 1.00 64.53 C ATOM 2046 C LYS A 178 -13.269 -10.038 -6.234 1.00 1.43 C ATOM 2047 O LYS A 178 -12.615 -9.929 -7.272 1.00 25.04 O ATOM 2048 CB LYS A 178 -13.809 -12.366 -5.492 1.00 64.32 C ATOM 2049 CG LYS A 178 -13.292 -13.629 -4.827 1.00 32.21 C ATOM 2050 CD LYS A 178 -12.161 -14.257 -5.624 1.00 1.51 C ATOM 2051 CE LYS A 178 -11.598 -15.484 -4.923 1.00 40.34 C ATOM 2052 NZ LYS A 178 -10.758 -16.307 -5.835 1.00 72.13 N ATOM 0 H LYS A 178 -13.954 -11.081 -3.383 1.00 43.30 H new ATOM 0 HA LYS A 178 -11.895 -11.404 -5.325 1.00 64.53 H new ATOM 0 HB2 LYS A 178 -14.824 -12.172 -5.145 1.00 64.32 H new ATOM 0 HB3 LYS A 178 -13.866 -12.529 -6.568 1.00 64.32 H new ATOM 0 HG2 LYS A 178 -12.943 -13.395 -3.821 1.00 32.21 H new ATOM 0 HG3 LYS A 178 -14.106 -14.346 -4.723 1.00 32.21 H new ATOM 0 HD2 LYS A 178 -12.523 -14.536 -6.613 1.00 1.51 H new ATOM 0 HD3 LYS A 178 -11.367 -13.524 -5.770 1.00 1.51 H new ATOM 0 HE2 LYS A 178 -11.003 -15.171 -4.065 1.00 40.34 H new ATOM 0 HE3 LYS A 178 -12.418 -16.091 -4.538 1.00 40.34 H new ATOM 0 HZ1 LYS A 178 -10.393 -17.133 -5.320 1.00 72.13 H new ATOM 0 HZ2 LYS A 178 -11.332 -16.627 -6.641 1.00 72.13 H new ATOM 0 HZ3 LYS A 178 -9.961 -15.736 -6.182 1.00 72.13 H new ATOM 2062 N ASP A 179 -14.279 -9.232 -5.925 1.00 54.33 N ATOM 2063 CA ASP A 179 -14.686 -8.146 -6.809 1.00 11.13 C ATOM 2064 C ASP A 179 -13.627 -7.048 -6.845 1.00 1.15 C ATOM 2065 O ASP A 179 -13.187 -6.633 -7.917 1.00 42.13 O ATOM 2066 CB ASP A 179 -16.026 -7.564 -6.352 1.00 12.32 C ATOM 2067 CG ASP A 179 -17.194 -8.469 -6.690 1.00 50.10 C ATOM 2068 OD1 ASP A 179 -16.984 -9.695 -6.800 1.00 30.35 O ATOM 2069 OD2 ASP A 179 -18.320 -7.951 -6.844 1.00 71.11 O ATOM 0 H ASP A 179 -14.830 -9.310 -5.070 1.00 54.33 H new ATOM 0 HA ASP A 179 -14.798 -8.551 -7.815 1.00 11.13 H new ATOM 0 HB2 ASP A 179 -15.998 -7.398 -5.275 1.00 12.32 H new ATOM 0 HB3 ASP A 179 -16.176 -6.592 -6.821 1.00 12.32 H new ATOM 2073 N ILE A 180 -13.224 -6.584 -5.668 1.00 24.43 N ATOM 2074 CA ILE A 180 -12.217 -5.535 -5.565 1.00 44.14 C ATOM 2075 C ILE A 180 -10.838 -6.057 -5.953 1.00 31.31 C ATOM 2076 O ILE A 180 -10.545 -7.248 -5.844 1.00 15.43 O ATOM 2077 CB ILE A 180 -12.152 -4.953 -4.141 1.00 40.31 C ATOM 2078 CG1 ILE A 180 -11.993 -6.076 -3.114 1.00 15.54 C ATOM 2079 CG2 ILE A 180 -13.400 -4.133 -3.847 1.00 60.11 C ATOM 2080 CD1 ILE A 180 -10.912 -5.811 -2.090 1.00 71.24 C ATOM 0 H ILE A 180 -13.579 -6.918 -4.772 1.00 24.43 H new ATOM 0 HA ILE A 180 -12.512 -4.746 -6.257 1.00 44.14 H new ATOM 0 HB ILE A 180 -11.284 -4.297 -4.072 1.00 40.31 H new ATOM 0 HG12 ILE A 180 -12.942 -6.223 -2.598 1.00 15.54 H new ATOM 0 HG13 ILE A 180 -11.767 -7.006 -3.636 1.00 15.54 H new ATOM 0 HG21 ILE A 180 -13.340 -3.728 -2.837 1.00 60.11 H new ATOM 0 HG22 ILE A 180 -13.474 -3.314 -4.562 1.00 60.11 H new ATOM 0 HG23 ILE A 180 -14.281 -4.769 -3.931 1.00 60.11 H new ATOM 0 HD11 ILE A 180 -10.856 -6.649 -1.395 1.00 71.24 H new ATOM 0 HD12 ILE A 180 -9.953 -5.694 -2.595 1.00 71.24 H new ATOM 0 HD13 ILE A 180 -11.147 -4.899 -1.541 1.00 71.24 H new