USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 786 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 Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 7 TYR OH : rot 150:sc= -1.06 USER MOD Single : A 8 SER OG : rot 37:sc= 0.0435 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 62:sc= 1.22 USER MOD Single : A 24 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.2) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 120:sc= 0.618 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.03 K(o=-1,f=-11!) USER MOD Single : A 54 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.22) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 61 ASN : amide:sc=-0.000158 X(o=-0.00016,f=-0.02) USER MOD Single : A 62 SER OG : rot -80:sc= 1.23 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 89 GLN : amide:sc= -0.0721 X(o=-0.072,f=0) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 22 N SER A 3 6.185 -1.926 -2.717 1.00 54.24 N ATOM 23 CA SER A 3 6.620 -2.894 -3.717 1.00 20.32 C ATOM 24 C SER A 3 8.125 -2.799 -3.946 1.00 43.54 C ATOM 25 O SER A 3 8.769 -3.778 -4.322 1.00 4.43 O ATOM 26 CB SER A 3 5.876 -2.669 -5.035 1.00 3.55 C ATOM 27 OG SER A 3 6.714 -2.936 -6.145 1.00 64.15 O ATOM 0 HA SER A 3 6.389 -3.892 -3.345 1.00 20.32 H new ATOM 0 HB2 SER A 3 4.998 -3.313 -5.075 1.00 3.55 H new ATOM 0 HB3 SER A 3 5.519 -1.640 -5.084 1.00 3.55 H new ATOM 0 HG SER A 3 6.215 -2.787 -6.975 1.00 64.15 H new ATOM 33 N GLN A 4 8.678 -1.612 -3.718 1.00 10.41 N ATOM 34 CA GLN A 4 10.107 -1.387 -3.900 1.00 61.14 C ATOM 35 C GLN A 4 10.875 -1.701 -2.621 1.00 2.33 C ATOM 36 O GLN A 4 10.769 -0.979 -1.629 1.00 12.41 O ATOM 37 CB GLN A 4 10.368 0.059 -4.324 1.00 54.42 C ATOM 38 CG GLN A 4 9.747 1.088 -3.392 1.00 24.51 C ATOM 39 CD GLN A 4 8.825 2.049 -4.115 1.00 2.53 C ATOM 40 OE1 GLN A 4 9.259 2.814 -4.977 1.00 70.22 O ATOM 41 NE2 GLN A 4 7.544 2.017 -3.766 1.00 63.32 N ATOM 0 H GLN A 4 8.158 -0.791 -3.407 1.00 10.41 H new ATOM 0 HA GLN A 4 10.457 -2.057 -4.686 1.00 61.14 H new ATOM 0 HB2 GLN A 4 11.444 0.226 -4.371 1.00 54.42 H new ATOM 0 HB3 GLN A 4 9.977 0.210 -5.330 1.00 54.42 H new ATOM 0 HG2 GLN A 4 9.189 0.574 -2.610 1.00 24.51 H new ATOM 0 HG3 GLN A 4 10.539 1.652 -2.900 1.00 24.51 H new ATOM 0 HE21 GLN A 4 7.228 1.367 -3.047 1.00 63.32 H new ATOM 0 HE22 GLN A 4 6.877 2.642 -4.217 1.00 63.32 H new ATOM 50 N ILE A 5 11.648 -2.781 -2.650 1.00 72.30 N ATOM 51 CA ILE A 5 12.434 -3.189 -1.492 1.00 71.34 C ATOM 52 C ILE A 5 13.775 -3.777 -1.918 1.00 42.20 C ATOM 53 O ILE A 5 13.869 -4.467 -2.933 1.00 74.35 O ATOM 54 CB ILE A 5 11.681 -4.225 -0.637 1.00 73.21 C ATOM 55 CG1 ILE A 5 10.234 -3.780 -0.415 1.00 74.44 C ATOM 56 CG2 ILE A 5 12.388 -4.428 0.694 1.00 2.14 C ATOM 57 CD1 ILE A 5 9.435 -4.730 0.450 1.00 63.20 C ATOM 0 H ILE A 5 11.747 -3.389 -3.463 1.00 72.30 H new ATOM 0 HA ILE A 5 12.605 -2.293 -0.895 1.00 71.34 H new ATOM 0 HB ILE A 5 11.672 -5.176 -1.170 1.00 73.21 H new ATOM 0 HG12 ILE A 5 10.233 -2.793 0.047 1.00 74.44 H new ATOM 0 HG13 ILE A 5 9.741 -3.680 -1.382 1.00 74.44 H new ATOM 0 HG21 ILE A 5 11.844 -5.163 1.287 1.00 2.14 H new ATOM 0 HG22 ILE A 5 13.403 -4.785 0.516 1.00 2.14 H new ATOM 0 HG23 ILE A 5 12.425 -3.482 1.234 1.00 2.14 H new ATOM 0 HD11 ILE A 5 8.419 -4.351 0.564 1.00 63.20 H new ATOM 0 HD12 ILE A 5 9.405 -5.713 -0.021 1.00 63.20 H new ATOM 0 HD13 ILE A 5 9.904 -4.812 1.430 1.00 63.20 H new ATOM 69 N HIS A 6 14.812 -3.500 -1.134 1.00 1.31 N ATOM 70 CA HIS A 6 16.149 -4.003 -1.428 1.00 42.11 C ATOM 71 C HIS A 6 16.854 -4.451 -0.151 1.00 43.24 C ATOM 72 O HIS A 6 16.590 -3.928 0.932 1.00 73.24 O ATOM 73 CB HIS A 6 16.978 -2.928 -2.132 1.00 60.12 C ATOM 74 CG HIS A 6 17.056 -1.639 -1.373 1.00 71.15 C ATOM 75 ND1 HIS A 6 16.110 -0.642 -1.485 1.00 44.33 N ATOM 76 CD2 HIS A 6 17.974 -1.188 -0.487 1.00 14.22 C ATOM 77 CE1 HIS A 6 16.444 0.368 -0.702 1.00 10.14 C ATOM 78 NE2 HIS A 6 17.571 0.062 -0.084 1.00 73.31 N ATOM 0 H HIS A 6 14.752 -2.930 -0.290 1.00 1.31 H new ATOM 0 HA HIS A 6 16.049 -4.865 -2.088 1.00 42.11 H new ATOM 0 HB2 HIS A 6 17.987 -3.307 -2.293 1.00 60.12 H new ATOM 0 HB3 HIS A 6 16.549 -2.736 -3.115 1.00 60.12 H new ATOM 0 HD2 HIS A 6 18.859 -1.713 -0.158 1.00 14.22 H new ATOM 0 HE1 HIS A 6 15.890 1.288 -0.587 1.00 10.14 H new ATOM 0 HE2 HIS A 6 18.062 0.657 0.584 1.00 73.31 H new ATOM 86 N TYR A 7 17.751 -5.421 -0.286 1.00 64.02 N ATOM 87 CA TYR A 7 18.492 -5.941 0.857 1.00 70.41 C ATOM 88 C TYR A 7 19.995 -5.890 0.602 1.00 42.54 C ATOM 89 O TYR A 7 20.438 -5.636 -0.519 1.00 35.51 O ATOM 90 CB TYR A 7 18.064 -7.379 1.157 1.00 13.11 C ATOM 91 CG TYR A 7 16.566 -7.582 1.131 1.00 73.41 C ATOM 92 CD1 TYR A 7 15.709 -6.659 1.719 1.00 63.43 C ATOM 93 CD2 TYR A 7 16.007 -8.698 0.519 1.00 13.35 C ATOM 94 CE1 TYR A 7 14.340 -6.841 1.698 1.00 70.41 C ATOM 95 CE2 TYR A 7 14.639 -8.887 0.493 1.00 73.15 C ATOM 96 CZ TYR A 7 13.810 -7.956 1.083 1.00 35.42 C ATOM 97 OH TYR A 7 12.446 -8.142 1.060 1.00 63.22 O ATOM 0 H TYR A 7 17.983 -5.863 -1.175 1.00 64.02 H new ATOM 0 HA TYR A 7 18.267 -5.313 1.719 1.00 70.41 H new ATOM 0 HB2 TYR A 7 18.525 -8.046 0.429 1.00 13.11 H new ATOM 0 HB3 TYR A 7 18.444 -7.665 2.138 1.00 13.11 H new ATOM 0 HD1 TYR A 7 16.121 -5.784 2.201 1.00 63.43 H new ATOM 0 HD2 TYR A 7 16.653 -9.429 0.056 1.00 13.35 H new ATOM 0 HE1 TYR A 7 13.688 -6.114 2.160 1.00 70.41 H new ATOM 0 HE2 TYR A 7 14.221 -9.759 0.013 1.00 73.15 H new ATOM 0 HH TYR A 7 12.197 -8.639 0.253 1.00 63.22 H new ATOM 107 N SER A 8 20.776 -6.132 1.650 1.00 54.21 N ATOM 108 CA SER A 8 22.230 -6.110 1.542 1.00 54.12 C ATOM 109 C SER A 8 22.828 -7.437 1.999 1.00 44.41 C ATOM 110 O SER A 8 22.539 -7.915 3.096 1.00 23.20 O ATOM 111 CB SER A 8 22.807 -4.963 2.374 1.00 32.21 C ATOM 112 OG SER A 8 22.289 -4.980 3.693 1.00 2.31 O ATOM 0 H SER A 8 20.426 -6.346 2.584 1.00 54.21 H new ATOM 0 HA SER A 8 22.490 -5.956 0.495 1.00 54.12 H new ATOM 0 HB2 SER A 8 23.894 -5.043 2.405 1.00 32.21 H new ATOM 0 HB3 SER A 8 22.571 -4.011 1.899 1.00 32.21 H new ATOM 0 HG SER A 8 22.191 -5.907 3.994 1.00 2.31 H new ATOM 118 N ILE A 9 23.664 -8.025 1.150 1.00 71.13 N ATOM 119 CA ILE A 9 24.305 -9.296 1.466 1.00 14.41 C ATOM 120 C ILE A 9 25.675 -9.399 0.806 1.00 25.24 C ATOM 121 O ILE A 9 25.802 -9.428 -0.418 1.00 22.51 O ATOM 122 CB ILE A 9 23.440 -10.489 1.018 1.00 2.00 C ATOM 123 CG1 ILE A 9 24.226 -11.795 1.153 1.00 50.11 C ATOM 124 CG2 ILE A 9 22.969 -10.293 -0.415 1.00 64.34 C ATOM 125 CD1 ILE A 9 24.645 -12.104 2.573 1.00 32.21 C ATOM 0 H ILE A 9 23.913 -7.642 0.238 1.00 71.13 H new ATOM 0 HA ILE A 9 24.423 -9.330 2.549 1.00 14.41 H new ATOM 0 HB ILE A 9 22.563 -10.546 1.663 1.00 2.00 H new ATOM 0 HG12 ILE A 9 23.617 -12.617 0.775 1.00 50.11 H new ATOM 0 HG13 ILE A 9 25.115 -11.741 0.524 1.00 50.11 H new ATOM 0 HG21 ILE A 9 22.359 -11.144 -0.717 1.00 64.34 H new ATOM 0 HG22 ILE A 9 22.377 -9.380 -0.482 1.00 64.34 H new ATOM 0 HG23 ILE A 9 23.833 -10.214 -1.074 1.00 64.34 H new ATOM 0 HD11 ILE A 9 25.197 -13.043 2.593 1.00 32.21 H new ATOM 0 HD12 ILE A 9 25.280 -11.301 2.948 1.00 32.21 H new ATOM 0 HD13 ILE A 9 23.760 -12.190 3.203 1.00 32.21 H new ATOM 137 N PRO A 10 26.728 -9.458 1.636 1.00 42.15 N ATOM 138 CA PRO A 10 28.109 -9.562 1.155 1.00 3.13 C ATOM 139 C PRO A 10 28.404 -10.920 0.527 1.00 11.21 C ATOM 140 O PRO A 10 27.919 -11.949 0.996 1.00 13.43 O ATOM 141 CB PRO A 10 28.942 -9.368 2.425 1.00 31.20 C ATOM 142 CG PRO A 10 28.045 -9.795 3.535 1.00 33.01 C ATOM 143 CD PRO A 10 26.651 -9.428 3.106 1.00 42.13 C ATOM 0 HA PRO A 10 28.324 -8.835 0.372 1.00 3.13 H new ATOM 0 HB2 PRO A 10 29.851 -9.968 2.398 1.00 31.20 H new ATOM 0 HB3 PRO A 10 29.250 -8.329 2.542 1.00 31.20 H new ATOM 0 HG2 PRO A 10 28.129 -10.867 3.714 1.00 33.01 H new ATOM 0 HG3 PRO A 10 28.311 -9.295 4.466 1.00 33.01 H new ATOM 0 HD2 PRO A 10 25.914 -10.137 3.484 1.00 42.13 H new ATOM 0 HD3 PRO A 10 26.364 -8.443 3.473 1.00 42.13 H new ATOM 151 N GLU A 11 29.202 -10.914 -0.536 1.00 61.30 N ATOM 152 CA GLU A 11 29.560 -12.147 -1.228 1.00 3.03 C ATOM 153 C GLU A 11 30.033 -13.208 -0.238 1.00 71.45 C ATOM 154 O GLU A 11 30.307 -12.910 0.923 1.00 15.14 O ATOM 155 CB GLU A 11 30.653 -11.877 -2.264 1.00 63.30 C ATOM 156 CG GLU A 11 30.209 -10.964 -3.394 1.00 74.00 C ATOM 157 CD GLU A 11 31.264 -10.814 -4.473 1.00 32.33 C ATOM 158 OE1 GLU A 11 32.411 -10.454 -4.134 1.00 15.41 O ATOM 159 OE2 GLU A 11 30.943 -11.057 -5.655 1.00 23.32 O ATOM 0 H GLU A 11 29.612 -10.070 -0.936 1.00 61.30 H new ATOM 0 HA GLU A 11 28.671 -12.520 -1.737 1.00 3.03 H new ATOM 0 HB2 GLU A 11 31.513 -11.431 -1.764 1.00 63.30 H new ATOM 0 HB3 GLU A 11 30.986 -12.826 -2.684 1.00 63.30 H new ATOM 0 HG2 GLU A 11 29.295 -11.359 -3.837 1.00 74.00 H new ATOM 0 HG3 GLU A 11 29.967 -9.982 -2.988 1.00 74.00 H new ATOM 166 N GLU A 12 30.125 -14.448 -0.709 1.00 22.30 N ATOM 167 CA GLU A 12 30.563 -15.554 0.135 1.00 61.24 C ATOM 168 C GLU A 12 29.550 -15.828 1.242 1.00 12.13 C ATOM 169 O GLU A 12 29.905 -16.309 2.318 1.00 71.12 O ATOM 170 CB GLU A 12 31.932 -15.248 0.745 1.00 3.22 C ATOM 171 CG GLU A 12 32.963 -16.338 0.506 1.00 61.12 C ATOM 172 CD GLU A 12 33.907 -16.009 -0.635 1.00 13.34 C ATOM 173 OE1 GLU A 12 34.907 -15.302 -0.392 1.00 41.24 O ATOM 174 OE2 GLU A 12 33.644 -16.459 -1.770 1.00 1.53 O ATOM 0 H GLU A 12 29.902 -14.712 -1.669 1.00 22.30 H new ATOM 0 HA GLU A 12 30.642 -16.444 -0.489 1.00 61.24 H new ATOM 0 HB2 GLU A 12 32.304 -14.311 0.330 1.00 3.22 H new ATOM 0 HB3 GLU A 12 31.817 -15.098 1.818 1.00 3.22 H new ATOM 0 HG2 GLU A 12 33.541 -16.493 1.417 1.00 61.12 H new ATOM 0 HG3 GLU A 12 32.451 -17.276 0.290 1.00 61.12 H new ATOM 181 N ALA A 13 28.287 -15.517 0.971 1.00 54.24 N ATOM 182 CA ALA A 13 27.221 -15.730 1.942 1.00 23.14 C ATOM 183 C ALA A 13 26.702 -17.163 1.882 1.00 2.33 C ATOM 184 O ALA A 13 25.948 -17.524 0.978 1.00 2.44 O ATOM 185 CB ALA A 13 26.086 -14.745 1.706 1.00 42.11 C ATOM 0 H ALA A 13 27.977 -15.116 0.086 1.00 54.24 H new ATOM 0 HA ALA A 13 27.632 -15.561 2.937 1.00 23.14 H new ATOM 0 HB1 ALA A 13 25.297 -14.916 2.439 1.00 42.11 H new ATOM 0 HB2 ALA A 13 26.461 -13.727 1.808 1.00 42.11 H new ATOM 0 HB3 ALA A 13 25.685 -14.885 0.702 1.00 42.11 H new ATOM 191 N LYS A 14 27.111 -17.976 2.850 1.00 32.21 N ATOM 192 CA LYS A 14 26.687 -19.370 2.908 1.00 20.15 C ATOM 193 C LYS A 14 25.188 -19.472 3.172 1.00 60.44 C ATOM 194 O LYS A 14 24.574 -18.541 3.693 1.00 40.24 O ATOM 195 CB LYS A 14 27.459 -20.114 4.000 1.00 22.13 C ATOM 196 CG LYS A 14 27.261 -19.532 5.389 1.00 20.44 C ATOM 197 CD LYS A 14 28.288 -20.071 6.371 1.00 31.23 C ATOM 198 CE LYS A 14 28.931 -18.952 7.176 1.00 52.23 C ATOM 199 NZ LYS A 14 29.045 -19.301 8.619 1.00 42.02 N ATOM 0 H LYS A 14 27.736 -17.694 3.605 1.00 32.21 H new ATOM 0 HA LYS A 14 26.901 -19.829 1.943 1.00 20.15 H new ATOM 0 HB2 LYS A 14 27.148 -21.159 4.005 1.00 22.13 H new ATOM 0 HB3 LYS A 14 28.521 -20.099 3.757 1.00 22.13 H new ATOM 0 HG2 LYS A 14 27.335 -18.445 5.343 1.00 20.44 H new ATOM 0 HG3 LYS A 14 26.258 -19.768 5.744 1.00 20.44 H new ATOM 0 HD2 LYS A 14 27.809 -20.779 7.048 1.00 31.23 H new ATOM 0 HD3 LYS A 14 29.058 -20.620 5.829 1.00 31.23 H new ATOM 0 HE2 LYS A 14 29.922 -18.739 6.775 1.00 52.23 H new ATOM 0 HE3 LYS A 14 28.341 -18.042 7.068 1.00 52.23 H new ATOM 0 HZ1 LYS A 14 29.488 -18.513 9.133 1.00 42.02 H new ATOM 0 HZ2 LYS A 14 28.098 -19.479 9.009 1.00 42.02 H new ATOM 0 HZ3 LYS A 14 29.629 -20.155 8.725 1.00 42.02 H new ATOM 213 N HIS A 15 24.605 -20.611 2.809 1.00 15.45 N ATOM 214 CA HIS A 15 23.177 -20.835 3.009 1.00 61.12 C ATOM 215 C HIS A 15 22.777 -20.538 4.451 1.00 74.23 C ATOM 216 O HIS A 15 23.269 -21.170 5.385 1.00 41.53 O ATOM 217 CB HIS A 15 22.811 -22.276 2.652 1.00 63.11 C ATOM 218 CG HIS A 15 22.891 -22.569 1.185 1.00 2.32 C ATOM 219 ND1 HIS A 15 22.658 -23.819 0.653 1.00 21.45 N ATOM 220 CD2 HIS A 15 23.179 -21.763 0.136 1.00 32.11 C ATOM 221 CE1 HIS A 15 22.801 -23.771 -0.659 1.00 14.00 C ATOM 222 NE2 HIS A 15 23.116 -22.534 -0.998 1.00 61.15 N ATOM 0 H HIS A 15 25.098 -21.392 2.376 1.00 15.45 H new ATOM 0 HA HIS A 15 22.632 -20.156 2.353 1.00 61.12 H new ATOM 0 HB2 HIS A 15 23.476 -22.954 3.186 1.00 63.11 H new ATOM 0 HB3 HIS A 15 21.799 -22.482 3.001 1.00 63.11 H new ATOM 0 HD2 HIS A 15 23.414 -20.710 0.183 1.00 32.11 H new ATOM 0 HE1 HIS A 15 22.681 -24.602 -1.339 1.00 14.00 H new ATOM 0 HE2 HIS A 15 23.285 -22.205 -1.949 1.00 61.15 H new ATOM 230 N GLY A 16 21.880 -19.572 4.624 1.00 12.10 N ATOM 231 CA GLY A 16 21.429 -19.208 5.955 1.00 43.13 C ATOM 232 C GLY A 16 22.000 -17.882 6.417 1.00 13.14 C ATOM 233 O GLY A 16 21.840 -17.499 7.577 1.00 44.11 O ATOM 0 H GLY A 16 21.458 -19.035 3.867 1.00 12.10 H new ATOM 0 HA2 GLY A 16 20.340 -19.155 5.965 1.00 43.13 H new ATOM 0 HA3 GLY A 16 21.716 -19.989 6.659 1.00 43.13 H new ATOM 237 N THR A 17 22.669 -17.178 5.509 1.00 12.04 N ATOM 238 CA THR A 17 23.268 -15.889 5.831 1.00 55.30 C ATOM 239 C THR A 17 22.227 -14.775 5.795 1.00 63.14 C ATOM 240 O THR A 17 21.323 -14.784 4.959 1.00 11.31 O ATOM 241 CB THR A 17 24.409 -15.541 4.857 1.00 24.14 C ATOM 242 OG1 THR A 17 25.474 -16.489 4.993 1.00 5.41 O ATOM 243 CG2 THR A 17 24.936 -14.138 5.119 1.00 34.04 C ATOM 0 H THR A 17 22.809 -17.479 4.545 1.00 12.04 H new ATOM 0 HA THR A 17 23.674 -15.972 6.839 1.00 55.30 H new ATOM 0 HB THR A 17 24.015 -15.580 3.841 1.00 24.14 H new ATOM 0 HG1 THR A 17 25.147 -17.384 4.764 1.00 5.41 H new ATOM 0 HG21 THR A 17 25.741 -13.915 4.419 1.00 34.04 H new ATOM 0 HG22 THR A 17 24.130 -13.416 4.987 1.00 34.04 H new ATOM 0 HG23 THR A 17 25.315 -14.076 6.139 1.00 34.04 H new ATOM 251 N PHE A 18 22.361 -13.817 6.705 1.00 3.52 N ATOM 252 CA PHE A 18 21.432 -12.695 6.777 1.00 1.01 C ATOM 253 C PHE A 18 21.444 -11.895 5.478 1.00 1.40 C ATOM 254 O PHE A 18 22.489 -11.723 4.851 1.00 64.43 O ATOM 255 CB PHE A 18 21.789 -11.784 7.954 1.00 73.32 C ATOM 256 CG PHE A 18 21.126 -10.438 7.892 1.00 44.42 C ATOM 257 CD1 PHE A 18 19.745 -10.331 7.871 1.00 41.40 C ATOM 258 CD2 PHE A 18 21.885 -9.279 7.855 1.00 40.22 C ATOM 259 CE1 PHE A 18 19.133 -9.093 7.813 1.00 3.31 C ATOM 260 CE2 PHE A 18 21.279 -8.038 7.797 1.00 12.04 C ATOM 261 CZ PHE A 18 19.901 -7.945 7.778 1.00 50.14 C ATOM 0 H PHE A 18 23.104 -13.795 7.403 1.00 3.52 H new ATOM 0 HA PHE A 18 20.429 -13.095 6.928 1.00 1.01 H new ATOM 0 HB2 PHE A 18 21.506 -12.277 8.884 1.00 73.32 H new ATOM 0 HB3 PHE A 18 22.870 -11.647 7.982 1.00 73.32 H new ATOM 0 HD1 PHE A 18 19.140 -11.225 7.900 1.00 41.40 H new ATOM 0 HD2 PHE A 18 22.963 -9.346 7.872 1.00 40.22 H new ATOM 0 HE1 PHE A 18 18.055 -9.023 7.795 1.00 3.31 H new ATOM 0 HE2 PHE A 18 21.882 -7.143 7.767 1.00 12.04 H new ATOM 0 HZ PHE A 18 19.425 -6.977 7.736 1.00 50.14 H new ATOM 271 N VAL A 19 20.273 -11.407 5.080 1.00 45.43 N ATOM 272 CA VAL A 19 20.148 -10.624 3.856 1.00 10.21 C ATOM 273 C VAL A 19 19.366 -9.339 4.104 1.00 42.43 C ATOM 274 O VAL A 19 19.846 -8.243 3.817 1.00 2.43 O ATOM 275 CB VAL A 19 19.451 -11.429 2.743 1.00 22.35 C ATOM 276 CG1 VAL A 19 19.405 -10.627 1.452 1.00 63.10 C ATOM 277 CG2 VAL A 19 20.156 -12.760 2.529 1.00 34.51 C ATOM 0 H VAL A 19 19.398 -11.540 5.587 1.00 45.43 H new ATOM 0 HA VAL A 19 21.159 -10.375 3.535 1.00 10.21 H new ATOM 0 HB VAL A 19 18.426 -11.632 3.052 1.00 22.35 H new ATOM 0 HG11 VAL A 19 18.909 -11.212 0.678 1.00 63.10 H new ATOM 0 HG12 VAL A 19 18.853 -9.702 1.618 1.00 63.10 H new ATOM 0 HG13 VAL A 19 20.420 -10.391 1.134 1.00 63.10 H new ATOM 0 HG21 VAL A 19 19.651 -13.316 1.739 1.00 34.51 H new ATOM 0 HG22 VAL A 19 21.192 -12.581 2.241 1.00 34.51 H new ATOM 0 HG23 VAL A 19 20.131 -13.338 3.453 1.00 34.51 H new ATOM 287 N GLY A 20 18.157 -9.481 4.639 1.00 63.31 N ATOM 288 CA GLY A 20 17.328 -8.323 4.917 1.00 72.43 C ATOM 289 C GLY A 20 15.900 -8.701 5.257 1.00 72.53 C ATOM 290 O GLY A 20 15.269 -9.480 4.541 1.00 44.32 O ATOM 0 H GLY A 20 17.737 -10.377 4.885 1.00 63.31 H new ATOM 0 HA2 GLY A 20 17.759 -7.762 5.746 1.00 72.43 H new ATOM 0 HA3 GLY A 20 17.329 -7.662 4.050 1.00 72.43 H new ATOM 294 N ARG A 21 15.389 -8.151 6.353 1.00 14.01 N ATOM 295 CA ARG A 21 14.027 -8.437 6.788 1.00 31.31 C ATOM 296 C ARG A 21 13.042 -8.274 5.634 1.00 12.33 C ATOM 297 O ARG A 21 12.655 -7.157 5.289 1.00 45.31 O ATOM 298 CB ARG A 21 13.633 -7.515 7.943 1.00 23.14 C ATOM 299 CG ARG A 21 13.894 -6.044 7.664 1.00 0.13 C ATOM 300 CD ARG A 21 13.926 -5.230 8.949 1.00 71.43 C ATOM 301 NE ARG A 21 15.131 -4.411 9.048 1.00 53.12 N ATOM 302 CZ ARG A 21 16.311 -4.883 9.432 1.00 22.23 C ATOM 303 NH1 ARG A 21 16.445 -6.163 9.752 1.00 73.11 N ATOM 304 NH2 ARG A 21 17.361 -4.075 9.497 1.00 4.24 N ATOM 0 H ARG A 21 15.897 -7.505 6.956 1.00 14.01 H new ATOM 0 HA ARG A 21 13.992 -9.471 7.130 1.00 31.31 H new ATOM 0 HB2 ARG A 21 12.574 -7.652 8.161 1.00 23.14 H new ATOM 0 HB3 ARG A 21 14.184 -7.810 8.836 1.00 23.14 H new ATOM 0 HG2 ARG A 21 14.843 -5.935 7.139 1.00 0.13 H new ATOM 0 HG3 ARG A 21 13.119 -5.654 7.004 1.00 0.13 H new ATOM 0 HD2 ARG A 21 13.046 -4.588 8.993 1.00 71.43 H new ATOM 0 HD3 ARG A 21 13.873 -5.902 9.805 1.00 71.43 H new ATOM 0 HE ARG A 21 15.062 -3.422 8.809 1.00 53.12 H new ATOM 0 HH11 ARG A 21 15.640 -6.788 9.703 1.00 73.11 H new ATOM 0 HH12 ARG A 21 17.353 -6.523 10.047 1.00 73.11 H new ATOM 0 HH21 ARG A 21 17.262 -3.090 9.252 1.00 4.24 H new ATOM 0 HH22 ARG A 21 18.267 -4.439 9.792 1.00 4.24 H new ATOM 318 N ILE A 22 12.640 -9.394 5.043 1.00 45.45 N ATOM 319 CA ILE A 22 11.701 -9.374 3.929 1.00 55.14 C ATOM 320 C ILE A 22 10.291 -9.038 4.404 1.00 3.24 C ATOM 321 O ILE A 22 9.576 -8.268 3.764 1.00 61.11 O ATOM 322 CB ILE A 22 11.673 -10.726 3.192 1.00 54.04 C ATOM 323 CG1 ILE A 22 10.646 -10.692 2.057 1.00 24.13 C ATOM 324 CG2 ILE A 22 11.358 -11.853 4.164 1.00 3.11 C ATOM 325 CD1 ILE A 22 10.858 -11.771 1.019 1.00 72.42 C ATOM 0 H ILE A 22 12.950 -10.326 5.317 1.00 45.45 H new ATOM 0 HA ILE A 22 12.044 -8.601 3.241 1.00 55.14 H new ATOM 0 HB ILE A 22 12.658 -10.908 2.761 1.00 54.04 H new ATOM 0 HG12 ILE A 22 9.646 -10.796 2.479 1.00 24.13 H new ATOM 0 HG13 ILE A 22 10.686 -9.718 1.570 1.00 24.13 H new ATOM 0 HG21 ILE A 22 11.342 -12.802 3.628 1.00 3.11 H new ATOM 0 HG22 ILE A 22 12.122 -11.888 4.941 1.00 3.11 H new ATOM 0 HG23 ILE A 22 10.384 -11.678 4.621 1.00 3.11 H new ATOM 0 HD11 ILE A 22 10.095 -11.687 0.245 1.00 72.42 H new ATOM 0 HD12 ILE A 22 11.844 -11.655 0.570 1.00 72.42 H new ATOM 0 HD13 ILE A 22 10.788 -12.750 1.493 1.00 72.42 H new ATOM 337 N ALA A 23 9.899 -9.619 5.533 1.00 24.24 N ATOM 338 CA ALA A 23 8.577 -9.378 6.098 1.00 62.43 C ATOM 339 C ALA A 23 8.463 -7.959 6.643 1.00 41.34 C ATOM 340 O ALA A 23 7.530 -7.229 6.307 1.00 23.44 O ATOM 341 CB ALA A 23 8.278 -10.392 7.193 1.00 42.44 C ATOM 0 H ALA A 23 10.478 -10.260 6.075 1.00 24.24 H new ATOM 0 HA ALA A 23 7.842 -9.493 5.301 1.00 62.43 H new ATOM 0 HB1 ALA A 23 7.288 -10.200 7.606 1.00 42.44 H new ATOM 0 HB2 ALA A 23 8.308 -11.398 6.775 1.00 42.44 H new ATOM 0 HB3 ALA A 23 9.024 -10.305 7.983 1.00 42.44 H new ATOM 347 N GLN A 24 9.417 -7.574 7.484 1.00 23.32 N ATOM 348 CA GLN A 24 9.422 -6.242 8.076 1.00 12.21 C ATOM 349 C GLN A 24 9.357 -5.166 6.997 1.00 72.44 C ATOM 350 O GLN A 24 8.671 -4.156 7.154 1.00 43.13 O ATOM 351 CB GLN A 24 10.673 -6.046 8.933 1.00 4.33 C ATOM 352 CG GLN A 24 10.434 -5.201 10.175 1.00 64.53 C ATOM 353 CD GLN A 24 10.059 -3.770 9.844 1.00 62.40 C ATOM 354 OE1 GLN A 24 10.787 -3.074 9.136 1.00 55.35 O ATOM 355 NE2 GLN A 24 8.918 -3.324 10.356 1.00 5.32 N ATOM 0 H GLN A 24 10.197 -8.166 7.771 1.00 23.32 H new ATOM 0 HA GLN A 24 8.539 -6.150 8.708 1.00 12.21 H new ATOM 0 HB2 GLN A 24 11.053 -7.022 9.235 1.00 4.33 H new ATOM 0 HB3 GLN A 24 11.448 -5.576 8.328 1.00 4.33 H new ATOM 0 HG2 GLN A 24 9.640 -5.652 10.770 1.00 64.53 H new ATOM 0 HG3 GLN A 24 11.334 -5.204 10.790 1.00 64.53 H new ATOM 0 HE21 GLN A 24 8.346 -3.936 10.938 1.00 5.32 H new ATOM 0 HE22 GLN A 24 8.613 -2.369 10.168 1.00 5.32 H new ATOM 364 N ASP A 25 10.075 -5.390 5.902 1.00 73.45 N ATOM 365 CA ASP A 25 10.098 -4.441 4.795 1.00 2.21 C ATOM 366 C ASP A 25 8.800 -4.506 3.996 1.00 45.52 C ATOM 367 O ASP A 25 8.405 -3.532 3.353 1.00 44.20 O ATOM 368 CB ASP A 25 11.290 -4.722 3.879 1.00 4.41 C ATOM 369 CG ASP A 25 12.614 -4.366 4.527 1.00 63.13 C ATOM 370 OD1 ASP A 25 12.599 -3.847 5.662 1.00 2.45 O ATOM 371 OD2 ASP A 25 13.666 -4.608 3.898 1.00 33.11 O ATOM 0 H ASP A 25 10.649 -6.221 5.757 1.00 73.45 H new ATOM 0 HA ASP A 25 10.198 -3.438 5.211 1.00 2.21 H new ATOM 0 HB2 ASP A 25 11.294 -5.777 3.606 1.00 4.41 H new ATOM 0 HB3 ASP A 25 11.177 -4.155 2.955 1.00 4.41 H new ATOM 376 N LEU A 26 8.142 -5.658 4.039 1.00 30.41 N ATOM 377 CA LEU A 26 6.889 -5.851 3.318 1.00 35.21 C ATOM 378 C LEU A 26 5.728 -5.191 4.057 1.00 64.34 C ATOM 379 O LEU A 26 4.844 -4.599 3.440 1.00 12.55 O ATOM 380 CB LEU A 26 6.608 -7.343 3.134 1.00 73.54 C ATOM 381 CG LEU A 26 6.857 -7.905 1.734 1.00 64.53 C ATOM 382 CD1 LEU A 26 8.274 -7.591 1.277 1.00 55.10 C ATOM 383 CD2 LEU A 26 6.608 -9.406 1.709 1.00 22.52 C ATOM 0 H LEU A 26 8.455 -6.473 4.566 1.00 30.41 H new ATOM 0 HA LEU A 26 6.986 -5.382 2.339 1.00 35.21 H new ATOM 0 HB2 LEU A 26 7.224 -7.898 3.841 1.00 73.54 H new ATOM 0 HB3 LEU A 26 5.568 -7.532 3.400 1.00 73.54 H new ATOM 0 HG LEU A 26 6.160 -7.430 1.044 1.00 64.53 H new ATOM 0 HD11 LEU A 26 8.433 -7.999 0.279 1.00 55.10 H new ATOM 0 HD12 LEU A 26 8.418 -6.511 1.255 1.00 55.10 H new ATOM 0 HD13 LEU A 26 8.987 -8.038 1.969 1.00 55.10 H new ATOM 0 HD21 LEU A 26 6.790 -9.788 0.705 1.00 22.52 H new ATOM 0 HD22 LEU A 26 7.280 -9.898 2.412 1.00 22.52 H new ATOM 0 HD23 LEU A 26 5.575 -9.608 1.992 1.00 22.52 H new ATOM 395 N GLY A 27 5.740 -5.297 5.382 1.00 5.10 N ATOM 396 CA GLY A 27 4.686 -4.704 6.183 1.00 13.20 C ATOM 397 C GLY A 27 3.547 -5.668 6.448 1.00 74.34 C ATOM 398 O GLY A 27 2.375 -5.305 6.331 1.00 45.21 O ATOM 0 H GLY A 27 6.461 -5.783 5.915 1.00 5.10 H new ATOM 0 HA2 GLY A 27 5.101 -4.367 7.133 1.00 13.20 H new ATOM 0 HA3 GLY A 27 4.300 -3.821 5.673 1.00 13.20 H new ATOM 402 N LEU A 28 3.889 -6.902 6.803 1.00 15.32 N ATOM 403 CA LEU A 28 2.885 -7.923 7.084 1.00 43.05 C ATOM 404 C LEU A 28 3.182 -8.631 8.402 1.00 43.33 C ATOM 405 O LEU A 28 4.094 -8.245 9.132 1.00 44.10 O ATOM 406 CB LEU A 28 2.835 -8.943 5.944 1.00 12.53 C ATOM 407 CG LEU A 28 3.577 -8.556 4.664 1.00 20.24 C ATOM 408 CD1 LEU A 28 3.679 -9.749 3.726 1.00 53.52 C ATOM 409 CD2 LEU A 28 2.882 -7.391 3.976 1.00 52.22 C ATOM 0 H LEU A 28 4.853 -7.220 6.903 1.00 15.32 H new ATOM 0 HA LEU A 28 1.916 -7.432 7.168 1.00 43.05 H new ATOM 0 HB2 LEU A 28 3.246 -9.885 6.308 1.00 12.53 H new ATOM 0 HB3 LEU A 28 1.790 -9.127 5.693 1.00 12.53 H new ATOM 0 HG LEU A 28 4.586 -8.243 4.932 1.00 20.24 H new ATOM 0 HD11 LEU A 28 4.210 -9.455 2.820 1.00 53.52 H new ATOM 0 HD12 LEU A 28 4.222 -10.555 4.220 1.00 53.52 H new ATOM 0 HD13 LEU A 28 2.678 -10.093 3.465 1.00 53.52 H new ATOM 0 HD21 LEU A 28 3.424 -7.129 3.067 1.00 52.22 H new ATOM 0 HD22 LEU A 28 1.861 -7.676 3.721 1.00 52.22 H new ATOM 0 HD23 LEU A 28 2.862 -6.532 4.647 1.00 52.22 H new ATOM 421 N GLU A 29 2.407 -9.669 8.698 1.00 71.22 N ATOM 422 CA GLU A 29 2.589 -10.431 9.928 1.00 73.23 C ATOM 423 C GLU A 29 3.302 -11.751 9.649 1.00 34.44 C ATOM 424 O GLU A 29 3.129 -12.352 8.588 1.00 41.54 O ATOM 425 CB GLU A 29 1.237 -10.699 10.592 1.00 32.24 C ATOM 426 CG GLU A 29 1.142 -10.170 12.013 1.00 14.44 C ATOM 427 CD GLU A 29 0.303 -8.910 12.111 1.00 3.25 C ATOM 428 OE1 GLU A 29 -0.937 -9.029 12.203 1.00 4.23 O ATOM 429 OE2 GLU A 29 0.886 -7.806 12.096 1.00 3.22 O ATOM 0 H GLU A 29 1.648 -10.002 8.104 1.00 71.22 H new ATOM 0 HA GLU A 29 3.207 -9.840 10.604 1.00 73.23 H new ATOM 0 HB2 GLU A 29 0.450 -10.244 9.991 1.00 32.24 H new ATOM 0 HB3 GLU A 29 1.052 -11.773 10.600 1.00 32.24 H new ATOM 0 HG2 GLU A 29 0.713 -10.939 12.655 1.00 14.44 H new ATOM 0 HG3 GLU A 29 2.145 -9.965 12.388 1.00 14.44 H new ATOM 436 N LEU A 30 4.103 -12.198 10.610 1.00 43.20 N ATOM 437 CA LEU A 30 4.844 -13.447 10.470 1.00 53.14 C ATOM 438 C LEU A 30 3.901 -14.646 10.506 1.00 42.42 C ATOM 439 O LEU A 30 4.193 -15.697 9.935 1.00 25.11 O ATOM 440 CB LEU A 30 5.888 -13.571 11.580 1.00 21.14 C ATOM 441 CG LEU A 30 7.350 -13.519 11.136 1.00 62.12 C ATOM 442 CD1 LEU A 30 7.743 -14.813 10.440 1.00 71.12 C ATOM 443 CD2 LEU A 30 7.587 -12.326 10.221 1.00 24.22 C ATOM 0 H LEU A 30 4.256 -11.714 11.495 1.00 43.20 H new ATOM 0 HA LEU A 30 5.350 -13.435 9.505 1.00 53.14 H new ATOM 0 HB2 LEU A 30 5.719 -12.771 12.301 1.00 21.14 H new ATOM 0 HB3 LEU A 30 5.722 -14.512 12.104 1.00 21.14 H new ATOM 0 HG LEU A 30 7.975 -13.403 12.021 1.00 62.12 H new ATOM 0 HD11 LEU A 30 8.787 -14.757 10.131 1.00 71.12 H new ATOM 0 HD12 LEU A 30 7.612 -15.650 11.126 1.00 71.12 H new ATOM 0 HD13 LEU A 30 7.113 -14.961 9.563 1.00 71.12 H new ATOM 0 HD21 LEU A 30 8.633 -12.305 9.915 1.00 24.22 H new ATOM 0 HD22 LEU A 30 6.952 -12.412 9.339 1.00 24.22 H new ATOM 0 HD23 LEU A 30 7.346 -11.406 10.753 1.00 24.22 H new ATOM 455 N THR A 31 2.767 -14.480 11.179 1.00 32.00 N ATOM 456 CA THR A 31 1.780 -15.547 11.289 1.00 65.31 C ATOM 457 C THR A 31 0.698 -15.408 10.224 1.00 3.44 C ATOM 458 O THR A 31 -0.253 -16.187 10.188 1.00 13.25 O ATOM 459 CB THR A 31 1.118 -15.559 12.680 1.00 62.35 C ATOM 460 OG1 THR A 31 0.585 -14.264 12.980 1.00 64.54 O ATOM 461 CG2 THR A 31 2.119 -15.962 13.752 1.00 71.50 C ATOM 0 H THR A 31 2.509 -13.616 11.656 1.00 32.00 H new ATOM 0 HA THR A 31 2.313 -16.486 11.141 1.00 65.31 H new ATOM 0 HB THR A 31 0.310 -16.290 12.667 1.00 62.35 H new ATOM 0 HG1 THR A 31 0.164 -14.280 13.865 1.00 64.54 H new ATOM 0 HG21 THR A 31 1.629 -15.963 14.726 1.00 71.50 H new ATOM 0 HG22 THR A 31 2.501 -16.960 13.537 1.00 71.50 H new ATOM 0 HG23 THR A 31 2.946 -15.252 13.763 1.00 71.50 H new ATOM 469 N GLU A 32 0.851 -14.410 9.359 1.00 62.21 N ATOM 470 CA GLU A 32 -0.115 -14.170 8.293 1.00 3.43 C ATOM 471 C GLU A 32 0.425 -14.653 6.950 1.00 31.54 C ATOM 472 O GLU A 32 -0.303 -14.704 5.958 1.00 43.23 O ATOM 473 CB GLU A 32 -0.457 -12.680 8.211 1.00 24.43 C ATOM 474 CG GLU A 32 -1.884 -12.407 7.769 1.00 72.12 C ATOM 475 CD GLU A 32 -2.836 -12.244 8.938 1.00 72.22 C ATOM 476 OE1 GLU A 32 -2.919 -11.125 9.485 1.00 5.12 O ATOM 477 OE2 GLU A 32 -3.499 -13.237 9.305 1.00 53.11 O ATOM 0 H GLU A 32 1.633 -13.756 9.375 1.00 62.21 H new ATOM 0 HA GLU A 32 -1.020 -14.732 8.524 1.00 3.43 H new ATOM 0 HB2 GLU A 32 -0.295 -12.224 9.188 1.00 24.43 H new ATOM 0 HB3 GLU A 32 0.229 -12.196 7.516 1.00 24.43 H new ATOM 0 HG2 GLU A 32 -1.905 -11.504 7.160 1.00 72.12 H new ATOM 0 HG3 GLU A 32 -2.228 -13.226 7.137 1.00 72.12 H new ATOM 484 N LEU A 33 1.705 -15.008 6.927 1.00 11.10 N ATOM 485 CA LEU A 33 2.344 -15.488 5.706 1.00 12.54 C ATOM 486 C LEU A 33 1.761 -16.831 5.278 1.00 3.44 C ATOM 487 O LEU A 33 1.498 -17.057 4.097 1.00 30.02 O ATOM 488 CB LEU A 33 3.854 -15.617 5.915 1.00 52.34 C ATOM 489 CG LEU A 33 4.599 -14.323 6.244 1.00 41.21 C ATOM 490 CD1 LEU A 33 5.725 -14.591 7.231 1.00 73.54 C ATOM 491 CD2 LEU A 33 5.142 -13.682 4.975 1.00 55.03 C ATOM 0 H LEU A 33 2.321 -14.973 7.739 1.00 11.10 H new ATOM 0 HA LEU A 33 2.153 -14.762 4.915 1.00 12.54 H new ATOM 0 HB2 LEU A 33 4.029 -16.329 6.722 1.00 52.34 H new ATOM 0 HB3 LEU A 33 4.290 -16.044 5.012 1.00 52.34 H new ATOM 0 HG LEU A 33 3.896 -13.630 6.705 1.00 41.21 H new ATOM 0 HD11 LEU A 33 6.244 -13.658 7.453 1.00 73.54 H new ATOM 0 HD12 LEU A 33 5.312 -15.004 8.151 1.00 73.54 H new ATOM 0 HD13 LEU A 33 6.428 -15.303 6.797 1.00 73.54 H new ATOM 0 HD21 LEU A 33 5.669 -12.762 5.229 1.00 55.03 H new ATOM 0 HD22 LEU A 33 5.830 -14.371 4.485 1.00 55.03 H new ATOM 0 HD23 LEU A 33 4.316 -13.453 4.301 1.00 55.03 H new ATOM 503 N VAL A 34 1.560 -17.718 6.247 1.00 22.41 N ATOM 504 CA VAL A 34 1.005 -19.038 5.971 1.00 22.24 C ATOM 505 C VAL A 34 -0.296 -18.934 5.183 1.00 3.34 C ATOM 506 O VAL A 34 -0.430 -19.474 4.085 1.00 13.32 O ATOM 507 CB VAL A 34 0.743 -19.820 7.272 1.00 1.25 C ATOM 508 CG1 VAL A 34 -0.439 -20.762 7.101 1.00 65.13 C ATOM 509 CG2 VAL A 34 1.989 -20.585 7.694 1.00 14.31 C ATOM 0 H VAL A 34 1.773 -17.547 7.230 1.00 22.41 H new ATOM 0 HA VAL A 34 1.745 -19.574 5.376 1.00 22.24 H new ATOM 0 HB VAL A 34 0.498 -19.108 8.060 1.00 1.25 H new ATOM 0 HG11 VAL A 34 -0.609 -21.306 8.030 1.00 65.13 H new ATOM 0 HG12 VAL A 34 -1.330 -20.186 6.850 1.00 65.13 H new ATOM 0 HG13 VAL A 34 -0.227 -21.470 6.300 1.00 65.13 H new ATOM 0 HG21 VAL A 34 1.786 -21.132 8.615 1.00 14.31 H new ATOM 0 HG22 VAL A 34 2.268 -21.288 6.909 1.00 14.31 H new ATOM 0 HG23 VAL A 34 2.807 -19.884 7.861 1.00 14.31 H new ATOM 519 N PRO A 35 -1.278 -18.222 5.755 1.00 12.12 N ATOM 520 CA PRO A 35 -2.587 -18.028 5.123 1.00 24.40 C ATOM 521 C PRO A 35 -2.510 -17.123 3.898 1.00 34.42 C ATOM 522 O PRO A 35 -3.431 -17.089 3.082 1.00 74.11 O ATOM 523 CB PRO A 35 -3.419 -17.368 6.225 1.00 62.00 C ATOM 524 CG PRO A 35 -2.421 -16.691 7.099 1.00 4.13 C ATOM 525 CD PRO A 35 -1.187 -17.551 7.063 1.00 54.43 C ATOM 0 HA PRO A 35 -3.007 -18.965 4.758 1.00 24.40 H new ATOM 0 HB2 PRO A 35 -4.131 -16.654 5.810 1.00 62.00 H new ATOM 0 HB3 PRO A 35 -3.996 -18.107 6.781 1.00 62.00 H new ATOM 0 HG2 PRO A 35 -2.206 -15.685 6.739 1.00 4.13 H new ATOM 0 HG3 PRO A 35 -2.798 -16.592 8.117 1.00 4.13 H new ATOM 0 HD2 PRO A 35 -0.279 -16.954 7.146 1.00 54.43 H new ATOM 0 HD3 PRO A 35 -1.173 -18.269 7.883 1.00 54.43 H new ATOM 533 N ARG A 36 -1.407 -16.392 3.776 1.00 34.20 N ATOM 534 CA ARG A 36 -1.212 -15.486 2.651 1.00 60.24 C ATOM 535 C ARG A 36 -0.545 -16.206 1.482 1.00 32.53 C ATOM 536 O ARG A 36 -0.180 -15.586 0.483 1.00 12.40 O ATOM 537 CB ARG A 36 -0.363 -14.287 3.076 1.00 51.44 C ATOM 538 CG ARG A 36 -1.170 -13.162 3.703 1.00 3.42 C ATOM 539 CD ARG A 36 -0.281 -12.209 4.487 1.00 45.33 C ATOM 540 NE ARG A 36 -0.232 -10.881 3.880 1.00 72.22 N ATOM 541 CZ ARG A 36 0.543 -10.574 2.846 1.00 2.40 C ATOM 542 NH1 ARG A 36 1.331 -11.494 2.307 1.00 53.22 N ATOM 543 NH2 ARG A 36 0.532 -9.343 2.349 1.00 35.23 N ATOM 0 H ARG A 36 -0.635 -16.410 4.442 1.00 34.20 H new ATOM 0 HA ARG A 36 -2.191 -15.133 2.327 1.00 60.24 H new ATOM 0 HB2 ARG A 36 0.392 -14.621 3.787 1.00 51.44 H new ATOM 0 HB3 ARG A 36 0.167 -13.901 2.205 1.00 51.44 H new ATOM 0 HG2 ARG A 36 -1.696 -12.612 2.923 1.00 3.42 H new ATOM 0 HG3 ARG A 36 -1.928 -13.581 4.364 1.00 3.42 H new ATOM 0 HD2 ARG A 36 -0.650 -12.127 5.509 1.00 45.33 H new ATOM 0 HD3 ARG A 36 0.727 -12.619 4.545 1.00 45.33 H new ATOM 0 HE ARG A 36 -0.825 -10.150 4.272 1.00 72.22 H new ATOM 0 HH11 ARG A 36 1.343 -12.441 2.686 1.00 53.22 H new ATOM 0 HH12 ARG A 36 1.925 -11.255 1.513 1.00 53.22 H new ATOM 0 HH21 ARG A 36 -0.072 -8.632 2.761 1.00 35.23 H new ATOM 0 HH22 ARG A 36 1.128 -9.108 1.555 1.00 35.23 H new ATOM 557 N LEU A 37 -0.389 -17.519 1.615 1.00 42.11 N ATOM 558 CA LEU A 37 0.235 -18.325 0.571 1.00 53.54 C ATOM 559 C LEU A 37 1.521 -17.672 0.074 1.00 13.30 C ATOM 560 O LEU A 37 1.681 -17.421 -1.121 1.00 14.44 O ATOM 561 CB LEU A 37 -0.735 -18.521 -0.596 1.00 44.04 C ATOM 562 CG LEU A 37 -1.721 -19.681 -0.461 1.00 72.44 C ATOM 563 CD1 LEU A 37 -0.980 -21.008 -0.402 1.00 10.01 C ATOM 564 CD2 LEU A 37 -2.593 -19.500 0.773 1.00 41.44 C ATOM 0 H LEU A 37 -0.686 -18.048 2.435 1.00 42.11 H new ATOM 0 HA LEU A 37 0.484 -19.297 0.996 1.00 53.54 H new ATOM 0 HB2 LEU A 37 -1.304 -17.601 -0.728 1.00 44.04 H new ATOM 0 HB3 LEU A 37 -0.153 -18.669 -1.505 1.00 44.04 H new ATOM 0 HG LEU A 37 -2.366 -19.687 -1.339 1.00 72.44 H new ATOM 0 HD11 LEU A 37 -1.699 -21.822 -0.306 1.00 10.01 H new ATOM 0 HD12 LEU A 37 -0.400 -21.142 -1.315 1.00 10.01 H new ATOM 0 HD13 LEU A 37 -0.310 -21.012 0.457 1.00 10.01 H new ATOM 0 HD21 LEU A 37 -3.289 -20.335 0.853 1.00 41.44 H new ATOM 0 HD22 LEU A 37 -1.963 -19.466 1.662 1.00 41.44 H new ATOM 0 HD23 LEU A 37 -3.153 -18.568 0.690 1.00 41.44 H new ATOM 576 N PHE A 38 2.436 -17.401 0.999 1.00 51.03 N ATOM 577 CA PHE A 38 3.709 -16.779 0.655 1.00 41.41 C ATOM 578 C PHE A 38 4.523 -17.680 -0.268 1.00 65.14 C ATOM 579 O PHE A 38 4.664 -18.877 -0.018 1.00 65.33 O ATOM 580 CB PHE A 38 4.509 -16.471 1.922 1.00 25.32 C ATOM 581 CG PHE A 38 5.293 -15.193 1.841 1.00 41.50 C ATOM 582 CD1 PHE A 38 4.646 -13.967 1.830 1.00 60.42 C ATOM 583 CD2 PHE A 38 6.677 -15.216 1.775 1.00 10.33 C ATOM 584 CE1 PHE A 38 5.364 -12.789 1.755 1.00 2.25 C ATOM 585 CE2 PHE A 38 7.400 -14.040 1.701 1.00 24.43 C ATOM 586 CZ PHE A 38 6.743 -12.826 1.690 1.00 2.51 C ATOM 0 H PHE A 38 2.320 -17.602 1.992 1.00 51.03 H new ATOM 0 HA PHE A 38 3.499 -15.847 0.131 1.00 41.41 H new ATOM 0 HB2 PHE A 38 3.825 -16.415 2.769 1.00 25.32 H new ATOM 0 HB3 PHE A 38 5.194 -17.296 2.119 1.00 25.32 H new ATOM 0 HD1 PHE A 38 3.568 -13.932 1.881 1.00 60.42 H new ATOM 0 HD2 PHE A 38 7.196 -16.163 1.781 1.00 10.33 H new ATOM 0 HE1 PHE A 38 4.848 -11.841 1.747 1.00 2.25 H new ATOM 0 HE2 PHE A 38 8.478 -14.071 1.652 1.00 24.43 H new ATOM 0 HZ PHE A 38 7.307 -11.907 1.631 1.00 2.51 H new ATOM 596 N ARG A 39 5.057 -17.096 -1.336 1.00 73.14 N ATOM 597 CA ARG A 39 5.855 -17.846 -2.298 1.00 43.14 C ATOM 598 C ARG A 39 6.946 -16.966 -2.902 1.00 63.43 C ATOM 599 O ARG A 39 6.706 -15.809 -3.247 1.00 32.23 O ATOM 600 CB ARG A 39 4.963 -18.405 -3.408 1.00 43.24 C ATOM 601 CG ARG A 39 4.496 -19.829 -3.155 1.00 53.42 C ATOM 602 CD ARG A 39 3.537 -20.301 -4.237 1.00 41.01 C ATOM 603 NE ARG A 39 3.595 -21.748 -4.426 1.00 41.00 N ATOM 604 CZ ARG A 39 3.027 -22.379 -5.448 1.00 24.01 C ATOM 605 NH1 ARG A 39 2.363 -21.694 -6.368 1.00 41.31 N ATOM 606 NH2 ARG A 39 3.124 -23.698 -5.551 1.00 21.41 N ATOM 0 H ARG A 39 4.951 -16.106 -1.557 1.00 73.14 H new ATOM 0 HA ARG A 39 6.329 -18.674 -1.771 1.00 43.14 H new ATOM 0 HB2 ARG A 39 4.091 -17.760 -3.521 1.00 43.24 H new ATOM 0 HB3 ARG A 39 5.508 -18.373 -4.351 1.00 43.24 H new ATOM 0 HG2 ARG A 39 5.358 -20.494 -3.116 1.00 53.42 H new ATOM 0 HG3 ARG A 39 4.006 -19.885 -2.183 1.00 53.42 H new ATOM 0 HD2 ARG A 39 2.520 -20.010 -3.972 1.00 41.01 H new ATOM 0 HD3 ARG A 39 3.777 -19.803 -5.176 1.00 41.01 H new ATOM 0 HE ARG A 39 4.099 -22.305 -3.736 1.00 41.00 H new ATOM 0 HH11 ARG A 39 2.287 -20.680 -6.293 1.00 41.31 H new ATOM 0 HH12 ARG A 39 1.928 -22.181 -7.151 1.00 41.31 H new ATOM 0 HH21 ARG A 39 3.635 -24.228 -4.845 1.00 21.41 H new ATOM 0 HH22 ARG A 39 2.688 -24.182 -6.336 1.00 21.41 H new ATOM 620 N VAL A 40 8.147 -17.523 -3.027 1.00 72.32 N ATOM 621 CA VAL A 40 9.275 -16.790 -3.590 1.00 32.54 C ATOM 622 C VAL A 40 9.553 -17.226 -5.024 1.00 24.54 C ATOM 623 O VAL A 40 9.532 -18.416 -5.337 1.00 31.44 O ATOM 624 CB VAL A 40 10.549 -16.989 -2.748 1.00 1.15 C ATOM 625 CG1 VAL A 40 11.689 -16.145 -3.297 1.00 62.30 C ATOM 626 CG2 VAL A 40 10.281 -16.652 -1.289 1.00 32.25 C ATOM 0 H VAL A 40 8.364 -18.479 -2.746 1.00 72.32 H new ATOM 0 HA VAL A 40 9.003 -15.734 -3.581 1.00 32.54 H new ATOM 0 HB VAL A 40 10.843 -18.037 -2.807 1.00 1.15 H new ATOM 0 HG11 VAL A 40 12.581 -16.299 -2.689 1.00 62.30 H new ATOM 0 HG12 VAL A 40 11.896 -16.438 -4.326 1.00 62.30 H new ATOM 0 HG13 VAL A 40 11.408 -15.092 -3.270 1.00 62.30 H new ATOM 0 HG21 VAL A 40 11.192 -16.798 -0.709 1.00 32.25 H new ATOM 0 HG22 VAL A 40 9.962 -15.613 -1.208 1.00 32.25 H new ATOM 0 HG23 VAL A 40 9.497 -17.303 -0.903 1.00 32.25 H new ATOM 636 N ALA A 41 9.815 -16.255 -5.891 1.00 44.35 N ATOM 637 CA ALA A 41 10.101 -16.538 -7.292 1.00 61.14 C ATOM 638 C ALA A 41 11.143 -15.572 -7.847 1.00 15.13 C ATOM 639 O ALA A 41 11.327 -14.474 -7.321 1.00 22.44 O ATOM 640 CB ALA A 41 8.824 -16.469 -8.116 1.00 35.41 C ATOM 0 H ALA A 41 9.835 -15.265 -5.648 1.00 44.35 H new ATOM 0 HA ALA A 41 10.509 -17.547 -7.356 1.00 61.14 H new ATOM 0 HB1 ALA A 41 9.053 -16.682 -9.160 1.00 35.41 H new ATOM 0 HB2 ALA A 41 8.110 -17.204 -7.743 1.00 35.41 H new ATOM 0 HB3 ALA A 41 8.393 -15.471 -8.036 1.00 35.41 H new ATOM 646 N SER A 42 11.821 -15.987 -8.911 1.00 62.43 N ATOM 647 CA SER A 42 12.848 -15.160 -9.534 1.00 72.02 C ATOM 648 C SER A 42 12.843 -15.337 -11.050 1.00 20.45 C ATOM 649 O SER A 42 12.369 -16.349 -11.567 1.00 21.21 O ATOM 650 CB SER A 42 14.227 -15.512 -8.973 1.00 33.05 C ATOM 651 OG SER A 42 15.208 -15.515 -9.995 1.00 2.34 O ATOM 0 H SER A 42 11.678 -16.891 -9.360 1.00 62.43 H new ATOM 0 HA SER A 42 12.627 -14.117 -9.306 1.00 72.02 H new ATOM 0 HB2 SER A 42 14.503 -14.793 -8.202 1.00 33.05 H new ATOM 0 HB3 SER A 42 14.190 -16.492 -8.497 1.00 33.05 H new ATOM 0 HG SER A 42 15.900 -14.853 -9.787 1.00 2.34 H new ATOM 657 N LYS A 43 13.374 -14.346 -11.757 1.00 1.35 N ATOM 658 CA LYS A 43 13.434 -14.390 -13.213 1.00 14.13 C ATOM 659 C LYS A 43 14.803 -14.867 -13.687 1.00 54.42 C ATOM 660 O LYS A 43 15.169 -14.677 -14.847 1.00 75.33 O ATOM 661 CB LYS A 43 13.132 -13.009 -13.798 1.00 53.42 C ATOM 662 CG LYS A 43 12.089 -13.031 -14.902 1.00 41.45 C ATOM 663 CD LYS A 43 11.506 -11.649 -15.147 1.00 1.23 C ATOM 664 CE LYS A 43 10.084 -11.730 -15.679 1.00 34.11 C ATOM 665 NZ LYS A 43 9.959 -11.107 -17.026 1.00 31.32 N ATOM 0 H LYS A 43 13.770 -13.501 -11.345 1.00 1.35 H new ATOM 0 HA LYS A 43 12.682 -15.098 -13.562 1.00 14.13 H new ATOM 0 HB2 LYS A 43 12.789 -12.352 -12.999 1.00 53.42 H new ATOM 0 HB3 LYS A 43 14.054 -12.580 -14.189 1.00 53.42 H new ATOM 0 HG2 LYS A 43 12.539 -13.405 -15.822 1.00 41.45 H new ATOM 0 HG3 LYS A 43 11.289 -13.722 -14.635 1.00 41.45 H new ATOM 0 HD2 LYS A 43 11.516 -11.079 -14.218 1.00 1.23 H new ATOM 0 HD3 LYS A 43 12.132 -11.110 -15.859 1.00 1.23 H new ATOM 0 HE2 LYS A 43 9.775 -12.774 -15.732 1.00 34.11 H new ATOM 0 HE3 LYS A 43 9.408 -11.232 -14.984 1.00 34.11 H new ATOM 0 HZ1 LYS A 43 8.975 -11.183 -17.354 1.00 31.32 H new ATOM 0 HZ2 LYS A 43 10.229 -10.104 -16.971 1.00 31.32 H new ATOM 0 HZ3 LYS A 43 10.585 -11.598 -17.695 1.00 31.32 H new ATOM 679 N ASP A 44 15.554 -15.486 -12.784 1.00 32.53 N ATOM 680 CA ASP A 44 16.882 -15.993 -13.111 1.00 54.10 C ATOM 681 C ASP A 44 16.935 -17.511 -12.966 1.00 4.51 C ATOM 682 O ASP A 44 16.916 -18.240 -13.958 1.00 4.25 O ATOM 683 CB ASP A 44 17.934 -15.344 -12.211 1.00 23.43 C ATOM 684 CG ASP A 44 18.595 -14.146 -12.863 1.00 63.11 C ATOM 685 OD1 ASP A 44 19.087 -14.287 -14.003 1.00 4.25 O ATOM 686 OD2 ASP A 44 18.620 -13.067 -12.235 1.00 32.42 O ATOM 0 H ASP A 44 15.266 -15.649 -11.819 1.00 32.53 H new ATOM 0 HA ASP A 44 17.097 -15.738 -14.149 1.00 54.10 H new ATOM 0 HB2 ASP A 44 17.467 -15.033 -11.277 1.00 23.43 H new ATOM 0 HB3 ASP A 44 18.695 -16.082 -11.957 1.00 23.43 H new ATOM 691 N ARG A 45 17.004 -17.979 -11.724 1.00 73.01 N ATOM 692 CA ARG A 45 17.063 -19.410 -11.449 1.00 53.44 C ATOM 693 C ARG A 45 15.861 -19.854 -10.620 1.00 62.14 C ATOM 694 O ARG A 45 15.542 -21.041 -10.557 1.00 43.44 O ATOM 695 CB ARG A 45 18.359 -19.756 -10.715 1.00 21.41 C ATOM 696 CG ARG A 45 19.416 -20.385 -11.608 1.00 41.54 C ATOM 697 CD ARG A 45 19.954 -21.676 -11.012 1.00 75.13 C ATOM 698 NE ARG A 45 18.993 -22.771 -11.121 1.00 53.40 N ATOM 699 CZ ARG A 45 18.693 -23.374 -12.266 1.00 32.34 C ATOM 700 NH1 ARG A 45 19.276 -22.992 -13.393 1.00 63.12 N ATOM 701 NH2 ARG A 45 17.808 -24.363 -12.284 1.00 11.12 N ATOM 0 H ARG A 45 17.020 -17.389 -10.892 1.00 73.01 H new ATOM 0 HA ARG A 45 17.041 -19.940 -12.401 1.00 53.44 H new ATOM 0 HB2 ARG A 45 18.766 -18.849 -10.268 1.00 21.41 H new ATOM 0 HB3 ARG A 45 18.132 -20.440 -9.898 1.00 21.41 H new ATOM 0 HG2 ARG A 45 18.990 -20.587 -12.591 1.00 41.54 H new ATOM 0 HG3 ARG A 45 20.236 -19.681 -11.754 1.00 41.54 H new ATOM 0 HD2 ARG A 45 20.878 -21.952 -11.520 1.00 75.13 H new ATOM 0 HD3 ARG A 45 20.203 -21.515 -9.963 1.00 75.13 H new ATOM 0 HE ARG A 45 18.527 -23.090 -10.272 1.00 53.40 H new ATOM 0 HH11 ARG A 45 19.957 -22.233 -13.383 1.00 63.12 H new ATOM 0 HH12 ARG A 45 19.044 -23.457 -14.271 1.00 63.12 H new ATOM 0 HH21 ARG A 45 17.358 -24.660 -11.418 1.00 11.12 H new ATOM 0 HH22 ARG A 45 17.578 -24.826 -13.163 1.00 11.12 H new ATOM 715 N GLY A 46 15.198 -18.892 -9.985 1.00 65.30 N ATOM 716 CA GLY A 46 14.040 -19.204 -9.168 1.00 25.51 C ATOM 717 C GLY A 46 14.421 -19.659 -7.773 1.00 32.12 C ATOM 718 O GLY A 46 13.555 -19.869 -6.923 1.00 72.34 O ATOM 0 H GLY A 46 15.442 -17.902 -10.022 1.00 65.30 H new ATOM 0 HA2 GLY A 46 13.401 -18.324 -9.098 1.00 25.51 H new ATOM 0 HA3 GLY A 46 13.455 -19.985 -9.655 1.00 25.51 H new ATOM 722 N ASP A 47 15.719 -19.813 -7.536 1.00 11.11 N ATOM 723 CA ASP A 47 16.212 -20.246 -6.234 1.00 23.41 C ATOM 724 C ASP A 47 17.413 -19.410 -5.802 1.00 14.04 C ATOM 725 O ASP A 47 18.535 -19.911 -5.720 1.00 11.10 O ATOM 726 CB ASP A 47 16.595 -21.727 -6.277 1.00 4.51 C ATOM 727 CG ASP A 47 15.422 -22.637 -5.971 1.00 64.25 C ATOM 728 OD1 ASP A 47 14.310 -22.357 -6.466 1.00 23.55 O ATOM 729 OD2 ASP A 47 15.616 -23.629 -5.238 1.00 23.23 O ATOM 0 H ASP A 47 16.449 -19.644 -8.229 1.00 11.11 H new ATOM 0 HA ASP A 47 15.413 -20.106 -5.505 1.00 23.41 H new ATOM 0 HB2 ASP A 47 16.991 -21.968 -7.263 1.00 4.51 H new ATOM 0 HB3 ASP A 47 17.393 -21.914 -5.559 1.00 4.51 H new ATOM 734 N LEU A 48 17.169 -18.133 -5.527 1.00 22.31 N ATOM 735 CA LEU A 48 18.230 -17.226 -5.104 1.00 3.02 C ATOM 736 C LEU A 48 18.244 -17.074 -3.586 1.00 63.51 C ATOM 737 O LEU A 48 19.303 -17.107 -2.958 1.00 23.11 O ATOM 738 CB LEU A 48 18.051 -15.857 -5.763 1.00 32.22 C ATOM 739 CG LEU A 48 18.359 -15.787 -7.259 1.00 15.01 C ATOM 740 CD1 LEU A 48 17.251 -16.449 -8.063 1.00 73.14 C ATOM 741 CD2 LEU A 48 18.548 -14.342 -7.697 1.00 71.12 C ATOM 0 H LEU A 48 16.246 -17.703 -5.589 1.00 22.31 H new ATOM 0 HA LEU A 48 19.184 -17.651 -5.417 1.00 3.02 H new ATOM 0 HB2 LEU A 48 17.022 -15.534 -5.609 1.00 32.22 H new ATOM 0 HB3 LEU A 48 18.691 -15.141 -5.247 1.00 32.22 H new ATOM 0 HG LEU A 48 19.287 -16.327 -7.445 1.00 15.01 H new ATOM 0 HD11 LEU A 48 17.487 -16.390 -9.125 1.00 73.14 H new ATOM 0 HD12 LEU A 48 17.163 -17.495 -7.769 1.00 73.14 H new ATOM 0 HD13 LEU A 48 16.308 -15.938 -7.872 1.00 73.14 H new ATOM 0 HD21 LEU A 48 18.766 -14.311 -8.764 1.00 71.12 H new ATOM 0 HD22 LEU A 48 17.636 -13.779 -7.497 1.00 71.12 H new ATOM 0 HD23 LEU A 48 19.377 -13.900 -7.144 1.00 71.12 H new ATOM 753 N LEU A 49 17.062 -16.911 -3.002 1.00 43.23 N ATOM 754 CA LEU A 49 16.938 -16.757 -1.557 1.00 53.30 C ATOM 755 C LEU A 49 15.617 -17.336 -1.060 1.00 2.05 C ATOM 756 O LEU A 49 14.796 -17.801 -1.849 1.00 41.44 O ATOM 757 CB LEU A 49 17.037 -15.280 -1.171 1.00 43.23 C ATOM 758 CG LEU A 49 18.445 -14.683 -1.158 1.00 41.03 C ATOM 759 CD1 LEU A 49 18.842 -14.221 -2.552 1.00 12.12 C ATOM 760 CD2 LEU A 49 18.526 -13.530 -0.169 1.00 3.23 C ATOM 0 H LEU A 49 16.176 -16.882 -3.507 1.00 43.23 H new ATOM 0 HA LEU A 49 17.755 -17.305 -1.086 1.00 53.30 H new ATOM 0 HB2 LEU A 49 16.425 -14.702 -1.864 1.00 43.23 H new ATOM 0 HB3 LEU A 49 16.601 -15.154 -0.180 1.00 43.23 H new ATOM 0 HG LEU A 49 19.144 -15.457 -0.841 1.00 41.03 H new ATOM 0 HD11 LEU A 49 19.847 -13.799 -2.523 1.00 12.12 H new ATOM 0 HD12 LEU A 49 18.824 -15.070 -3.235 1.00 12.12 H new ATOM 0 HD13 LEU A 49 18.140 -13.462 -2.898 1.00 12.12 H new ATOM 0 HD21 LEU A 49 19.535 -13.117 -0.173 1.00 3.23 H new ATOM 0 HD22 LEU A 49 17.816 -12.754 -0.455 1.00 3.23 H new ATOM 0 HD23 LEU A 49 18.286 -13.891 0.831 1.00 3.23 H new ATOM 772 N GLU A 50 15.420 -17.302 0.255 1.00 71.53 N ATOM 773 CA GLU A 50 14.198 -17.823 0.857 1.00 60.25 C ATOM 774 C GLU A 50 13.887 -17.104 2.166 1.00 23.11 C ATOM 775 O GLU A 50 14.791 -16.642 2.863 1.00 33.13 O ATOM 776 CB GLU A 50 14.327 -19.327 1.106 1.00 31.31 C ATOM 777 CG GLU A 50 13.815 -20.181 -0.042 1.00 14.21 C ATOM 778 CD GLU A 50 12.328 -20.004 -0.282 1.00 51.34 C ATOM 779 OE1 GLU A 50 11.547 -20.184 0.675 1.00 20.55 O ATOM 780 OE2 GLU A 50 11.945 -19.685 -1.427 1.00 43.23 O ATOM 0 H GLU A 50 16.090 -16.920 0.922 1.00 71.53 H new ATOM 0 HA GLU A 50 13.377 -17.646 0.162 1.00 60.25 H new ATOM 0 HB2 GLU A 50 15.374 -19.568 1.288 1.00 31.31 H new ATOM 0 HB3 GLU A 50 13.779 -19.585 2.012 1.00 31.31 H new ATOM 0 HG2 GLU A 50 14.359 -19.925 -0.951 1.00 14.21 H new ATOM 0 HG3 GLU A 50 14.023 -21.230 0.169 1.00 14.21 H new ATOM 787 N VAL A 51 12.602 -17.013 2.494 1.00 43.32 N ATOM 788 CA VAL A 51 12.171 -16.351 3.719 1.00 10.22 C ATOM 789 C VAL A 51 11.796 -17.368 4.791 1.00 74.34 C ATOM 790 O VAL A 51 11.231 -18.419 4.492 1.00 73.52 O ATOM 791 CB VAL A 51 10.968 -15.424 3.463 1.00 52.01 C ATOM 792 CG1 VAL A 51 9.872 -16.167 2.714 1.00 54.50 C ATOM 793 CG2 VAL A 51 10.441 -14.860 4.774 1.00 23.20 C ATOM 0 H VAL A 51 11.841 -17.390 1.928 1.00 43.32 H new ATOM 0 HA VAL A 51 13.013 -15.753 4.068 1.00 10.22 H new ATOM 0 HB VAL A 51 11.299 -14.591 2.843 1.00 52.01 H new ATOM 0 HG11 VAL A 51 9.030 -15.496 2.542 1.00 54.50 H new ATOM 0 HG12 VAL A 51 10.258 -16.517 1.757 1.00 54.50 H new ATOM 0 HG13 VAL A 51 9.541 -17.020 3.306 1.00 54.50 H new ATOM 0 HG21 VAL A 51 9.591 -14.207 4.574 1.00 23.20 H new ATOM 0 HG22 VAL A 51 10.126 -15.678 5.421 1.00 23.20 H new ATOM 0 HG23 VAL A 51 11.228 -14.290 5.267 1.00 23.20 H new ATOM 803 N ASN A 52 12.113 -17.048 6.041 1.00 43.43 N ATOM 804 CA ASN A 52 11.809 -17.934 7.158 1.00 22.21 C ATOM 805 C ASN A 52 10.539 -17.489 7.876 1.00 52.51 C ATOM 806 O ASN A 52 10.459 -16.369 8.383 1.00 4.12 O ATOM 807 CB ASN A 52 12.980 -17.968 8.143 1.00 53.22 C ATOM 808 CG ASN A 52 12.737 -18.922 9.297 1.00 44.44 C ATOM 809 OD1 ASN A 52 11.761 -19.671 9.302 1.00 32.32 O ATOM 810 ND2 ASN A 52 13.628 -18.897 10.281 1.00 11.04 N ATOM 0 H ASN A 52 12.581 -16.181 6.306 1.00 43.43 H new ATOM 0 HA ASN A 52 11.648 -18.936 6.760 1.00 22.21 H new ATOM 0 HB2 ASN A 52 13.887 -18.264 7.615 1.00 53.22 H new ATOM 0 HB3 ASN A 52 13.152 -16.965 8.534 1.00 53.22 H new ATOM 0 HD21 ASN A 52 13.518 -19.516 11.084 1.00 11.04 H new ATOM 0 HD22 ASN A 52 14.422 -18.259 10.234 1.00 11.04 H new ATOM 817 N LEU A 53 9.547 -18.372 7.915 1.00 4.13 N ATOM 818 CA LEU A 53 8.280 -18.071 8.572 1.00 50.32 C ATOM 819 C LEU A 53 8.444 -18.049 10.088 1.00 11.51 C ATOM 820 O LEU A 53 7.525 -17.672 10.815 1.00 3.31 O ATOM 821 CB LEU A 53 7.221 -19.101 8.177 1.00 71.41 C ATOM 822 CG LEU A 53 6.748 -19.055 6.724 1.00 52.44 C ATOM 823 CD1 LEU A 53 5.651 -20.081 6.486 1.00 62.11 C ATOM 824 CD2 LEU A 53 6.260 -17.658 6.366 1.00 22.11 C ATOM 0 H LEU A 53 9.596 -19.302 7.499 1.00 4.13 H new ATOM 0 HA LEU A 53 7.956 -17.083 8.246 1.00 50.32 H new ATOM 0 HB2 LEU A 53 7.619 -20.096 8.377 1.00 71.41 H new ATOM 0 HB3 LEU A 53 6.354 -18.968 8.824 1.00 71.41 H new ATOM 0 HG LEU A 53 7.592 -19.300 6.080 1.00 52.44 H new ATOM 0 HD11 LEU A 53 5.327 -20.033 5.446 1.00 62.11 H new ATOM 0 HD12 LEU A 53 6.033 -21.079 6.701 1.00 62.11 H new ATOM 0 HD13 LEU A 53 4.805 -19.868 7.139 1.00 62.11 H new ATOM 0 HD21 LEU A 53 5.927 -17.644 5.328 1.00 22.11 H new ATOM 0 HD22 LEU A 53 5.430 -17.385 7.017 1.00 22.11 H new ATOM 0 HD23 LEU A 53 7.073 -16.944 6.496 1.00 22.11 H new ATOM 836 N GLN A 54 9.620 -18.453 10.557 1.00 50.20 N ATOM 837 CA GLN A 54 9.904 -18.477 11.987 1.00 61.51 C ATOM 838 C GLN A 54 9.913 -17.066 12.565 1.00 74.13 C ATOM 839 O GLN A 54 9.120 -16.742 13.447 1.00 14.24 O ATOM 840 CB GLN A 54 11.249 -19.157 12.249 1.00 3.13 C ATOM 841 CG GLN A 54 11.385 -19.714 13.657 1.00 31.50 C ATOM 842 CD GLN A 54 10.424 -20.855 13.928 1.00 33.00 C ATOM 843 OE1 GLN A 54 10.424 -21.864 13.222 1.00 40.44 O ATOM 844 NE2 GLN A 54 9.597 -20.701 14.956 1.00 60.42 N ATOM 0 H GLN A 54 10.391 -18.768 9.968 1.00 50.20 H new ATOM 0 HA GLN A 54 9.115 -19.045 12.479 1.00 61.51 H new ATOM 0 HB2 GLN A 54 11.383 -19.967 11.532 1.00 3.13 H new ATOM 0 HB3 GLN A 54 12.050 -18.439 12.072 1.00 3.13 H new ATOM 0 HG2 GLN A 54 12.407 -20.061 13.809 1.00 31.50 H new ATOM 0 HG3 GLN A 54 11.208 -18.916 14.378 1.00 31.50 H new ATOM 0 HE21 GLN A 54 9.631 -19.848 15.515 1.00 60.42 H new ATOM 0 HE22 GLN A 54 8.928 -21.435 15.187 1.00 60.42 H new ATOM 853 N ASN A 55 10.815 -16.231 12.060 1.00 2.14 N ATOM 854 CA ASN A 55 10.928 -14.854 12.527 1.00 15.15 C ATOM 855 C ASN A 55 10.627 -13.871 11.400 1.00 2.10 C ATOM 856 O ASN A 55 10.240 -12.729 11.645 1.00 70.14 O ATOM 857 CB ASN A 55 12.329 -14.595 13.085 1.00 33.20 C ATOM 858 CG ASN A 55 12.345 -14.527 14.600 1.00 74.11 C ATOM 859 OD1 ASN A 55 11.802 -15.400 15.277 1.00 31.14 O ATOM 860 ND2 ASN A 55 12.969 -13.486 15.139 1.00 72.14 N ATOM 0 H ASN A 55 11.478 -16.484 11.327 1.00 2.14 H new ATOM 0 HA ASN A 55 10.196 -14.705 13.320 1.00 15.15 H new ATOM 0 HB2 ASN A 55 13.001 -15.386 12.753 1.00 33.20 H new ATOM 0 HB3 ASN A 55 12.712 -13.659 12.678 1.00 33.20 H new ATOM 0 HD21 ASN A 55 13.012 -13.386 16.153 1.00 72.14 H new ATOM 0 HD22 ASN A 55 13.405 -12.786 14.539 1.00 72.14 H new ATOM 867 N GLY A 56 10.808 -14.324 10.163 1.00 2.11 N ATOM 868 CA GLY A 56 10.552 -13.472 9.016 1.00 32.43 C ATOM 869 C GLY A 56 11.827 -13.030 8.326 1.00 73.22 C ATOM 870 O GLY A 56 11.795 -12.573 7.183 1.00 72.01 O ATOM 0 H GLY A 56 11.127 -15.265 9.935 1.00 2.11 H new ATOM 0 HA2 GLY A 56 9.923 -14.006 8.304 1.00 32.43 H new ATOM 0 HA3 GLY A 56 9.993 -12.593 9.338 1.00 32.43 H new ATOM 874 N ILE A 57 12.951 -13.165 9.021 1.00 42.42 N ATOM 875 CA ILE A 57 14.242 -12.775 8.467 1.00 10.22 C ATOM 876 C ILE A 57 14.510 -13.486 7.145 1.00 5.31 C ATOM 877 O ILE A 57 14.119 -14.638 6.957 1.00 64.43 O ATOM 878 CB ILE A 57 15.391 -13.083 9.446 1.00 74.44 C ATOM 879 CG1 ILE A 57 16.709 -12.520 8.912 1.00 24.30 C ATOM 880 CG2 ILE A 57 15.503 -14.583 9.674 1.00 32.35 C ATOM 881 CD1 ILE A 57 16.671 -11.030 8.659 1.00 44.53 C ATOM 0 H ILE A 57 12.994 -13.541 9.968 1.00 42.42 H new ATOM 0 HA ILE A 57 14.200 -11.699 8.296 1.00 10.22 H new ATOM 0 HB ILE A 57 15.174 -12.605 10.401 1.00 74.44 H new ATOM 0 HG12 ILE A 57 17.504 -12.739 9.625 1.00 24.30 H new ATOM 0 HG13 ILE A 57 16.964 -13.032 7.984 1.00 24.30 H new ATOM 0 HG21 ILE A 57 16.319 -14.786 10.368 1.00 32.35 H new ATOM 0 HG22 ILE A 57 14.569 -14.958 10.093 1.00 32.35 H new ATOM 0 HG23 ILE A 57 15.701 -15.081 8.725 1.00 32.35 H new ATOM 0 HD11 ILE A 57 17.639 -10.700 8.282 1.00 44.53 H new ATOM 0 HD12 ILE A 57 15.899 -10.806 7.923 1.00 44.53 H new ATOM 0 HD13 ILE A 57 16.448 -10.509 9.590 1.00 44.53 H new ATOM 893 N LEU A 58 15.182 -12.792 6.232 1.00 14.15 N ATOM 894 CA LEU A 58 15.505 -13.357 4.927 1.00 21.11 C ATOM 895 C LEU A 58 16.923 -13.920 4.913 1.00 11.54 C ATOM 896 O LEU A 58 17.886 -13.210 5.205 1.00 62.22 O ATOM 897 CB LEU A 58 15.355 -12.294 3.838 1.00 45.23 C ATOM 898 CG LEU A 58 14.956 -12.804 2.452 1.00 2.55 C ATOM 899 CD1 LEU A 58 16.059 -13.671 1.865 1.00 54.34 C ATOM 900 CD2 LEU A 58 13.648 -13.578 2.526 1.00 41.43 C ATOM 0 H LEU A 58 15.513 -11.838 6.372 1.00 14.15 H new ATOM 0 HA LEU A 58 14.809 -14.172 4.729 1.00 21.11 H new ATOM 0 HB2 LEU A 58 14.609 -11.570 4.165 1.00 45.23 H new ATOM 0 HB3 LEU A 58 16.300 -11.759 3.748 1.00 45.23 H new ATOM 0 HG LEU A 58 14.810 -11.945 1.797 1.00 2.55 H new ATOM 0 HD11 LEU A 58 15.758 -14.025 0.879 1.00 54.34 H new ATOM 0 HD12 LEU A 58 16.974 -13.085 1.776 1.00 54.34 H new ATOM 0 HD13 LEU A 58 16.237 -14.525 2.518 1.00 54.34 H new ATOM 0 HD21 LEU A 58 13.379 -13.934 1.531 1.00 41.43 H new ATOM 0 HD22 LEU A 58 13.767 -14.430 3.196 1.00 41.43 H new ATOM 0 HD23 LEU A 58 12.860 -12.926 2.904 1.00 41.43 H new ATOM 912 N PHE A 59 17.044 -15.198 4.571 1.00 14.11 N ATOM 913 CA PHE A 59 18.344 -15.856 4.518 1.00 40.42 C ATOM 914 C PHE A 59 18.732 -16.177 3.078 1.00 63.04 C ATOM 915 O PHE A 59 17.883 -16.217 2.188 1.00 74.23 O ATOM 916 CB PHE A 59 18.325 -17.139 5.351 1.00 12.42 C ATOM 917 CG PHE A 59 17.212 -18.077 4.981 1.00 63.41 C ATOM 918 CD1 PHE A 59 15.956 -17.942 5.549 1.00 53.35 C ATOM 919 CD2 PHE A 59 17.423 -19.096 4.066 1.00 44.14 C ATOM 920 CE1 PHE A 59 14.930 -18.804 5.210 1.00 54.43 C ATOM 921 CE2 PHE A 59 16.401 -19.960 3.723 1.00 62.54 C ATOM 922 CZ PHE A 59 15.153 -19.815 4.296 1.00 1.02 C ATOM 0 H PHE A 59 16.257 -15.799 4.326 1.00 14.11 H new ATOM 0 HA PHE A 59 19.086 -15.173 4.933 1.00 40.42 H new ATOM 0 HB2 PHE A 59 19.278 -17.654 5.232 1.00 12.42 H new ATOM 0 HB3 PHE A 59 18.233 -16.877 6.405 1.00 12.42 H new ATOM 0 HD1 PHE A 59 15.776 -17.154 6.265 1.00 53.35 H new ATOM 0 HD2 PHE A 59 18.397 -19.216 3.616 1.00 44.14 H new ATOM 0 HE1 PHE A 59 13.955 -18.687 5.659 1.00 54.43 H new ATOM 0 HE2 PHE A 59 16.578 -20.749 3.007 1.00 62.54 H new ATOM 0 HZ PHE A 59 14.353 -20.490 4.030 1.00 1.02 H new ATOM 932 N VAL A 60 20.023 -16.405 2.856 1.00 41.23 N ATOM 933 CA VAL A 60 20.525 -16.723 1.525 1.00 64.34 C ATOM 934 C VAL A 60 20.171 -18.153 1.131 1.00 3.11 C ATOM 935 O VAL A 60 20.130 -19.047 1.975 1.00 62.45 O ATOM 936 CB VAL A 60 22.053 -16.544 1.443 1.00 10.53 C ATOM 937 CG1 VAL A 60 22.552 -16.841 0.038 1.00 72.44 C ATOM 938 CG2 VAL A 60 22.447 -15.138 1.871 1.00 1.11 C ATOM 0 H VAL A 60 20.740 -16.375 3.581 1.00 41.23 H new ATOM 0 HA VAL A 60 20.047 -16.029 0.833 1.00 64.34 H new ATOM 0 HB VAL A 60 22.521 -17.253 2.126 1.00 10.53 H new ATOM 0 HG11 VAL A 60 23.633 -16.709 0.000 1.00 72.44 H new ATOM 0 HG12 VAL A 60 22.302 -17.868 -0.227 1.00 72.44 H new ATOM 0 HG13 VAL A 60 22.079 -16.159 -0.668 1.00 72.44 H new ATOM 0 HG21 VAL A 60 23.530 -15.028 1.807 1.00 1.11 H new ATOM 0 HG22 VAL A 60 21.969 -14.411 1.215 1.00 1.11 H new ATOM 0 HG23 VAL A 60 22.125 -14.967 2.898 1.00 1.11 H new ATOM 948 N ASN A 61 19.916 -18.360 -0.157 1.00 25.52 N ATOM 949 CA ASN A 61 19.566 -19.682 -0.663 1.00 74.41 C ATOM 950 C ASN A 61 20.139 -19.900 -2.060 1.00 54.53 C ATOM 951 O ASN A 61 19.450 -20.387 -2.956 1.00 75.31 O ATOM 952 CB ASN A 61 18.045 -19.854 -0.691 1.00 5.22 C ATOM 953 CG ASN A 61 17.628 -21.311 -0.670 1.00 35.41 C ATOM 954 OD1 ASN A 61 17.930 -22.042 0.274 1.00 61.04 O ATOM 955 ND2 ASN A 61 16.928 -21.741 -1.714 1.00 23.31 N ATOM 0 H ASN A 61 19.945 -17.630 -0.869 1.00 25.52 H new ATOM 0 HA ASN A 61 19.997 -20.426 0.007 1.00 74.41 H new ATOM 0 HB2 ASN A 61 17.608 -19.341 0.166 1.00 5.22 H new ATOM 0 HB3 ASN A 61 17.645 -19.377 -1.586 1.00 5.22 H new ATOM 0 HD21 ASN A 61 16.618 -22.712 -1.755 1.00 23.31 H new ATOM 0 HD22 ASN A 61 16.700 -21.100 -2.474 1.00 23.31 H new ATOM 962 N SER A 62 21.404 -19.534 -2.238 1.00 62.32 N ATOM 963 CA SER A 62 22.070 -19.686 -3.527 1.00 14.01 C ATOM 964 C SER A 62 23.553 -19.346 -3.416 1.00 32.23 C ATOM 965 O SER A 62 24.076 -19.154 -2.318 1.00 63.41 O ATOM 966 CB SER A 62 21.407 -18.790 -4.575 1.00 72.54 C ATOM 967 OG SER A 62 21.543 -17.421 -4.236 1.00 63.34 O ATOM 0 H SER A 62 21.989 -19.130 -1.506 1.00 62.32 H new ATOM 0 HA SER A 62 21.976 -20.727 -3.836 1.00 14.01 H new ATOM 0 HB2 SER A 62 21.857 -18.972 -5.551 1.00 72.54 H new ATOM 0 HB3 SER A 62 20.350 -19.044 -4.659 1.00 72.54 H new ATOM 0 HG SER A 62 20.869 -17.181 -3.566 1.00 63.34 H new ATOM 973 N ARG A 63 24.224 -19.274 -4.560 1.00 41.34 N ATOM 974 CA ARG A 63 25.647 -18.959 -4.593 1.00 2.41 C ATOM 975 C ARG A 63 25.868 -17.453 -4.703 1.00 2.22 C ATOM 976 O ARG A 63 25.461 -16.826 -5.681 1.00 54.30 O ATOM 977 CB ARG A 63 26.322 -19.671 -5.766 1.00 44.03 C ATOM 978 CG ARG A 63 25.883 -21.116 -5.935 1.00 65.34 C ATOM 979 CD ARG A 63 25.000 -21.290 -7.161 1.00 22.40 C ATOM 980 NE ARG A 63 25.022 -22.662 -7.661 1.00 63.41 N ATOM 981 CZ ARG A 63 24.424 -23.678 -7.048 1.00 40.32 C ATOM 982 NH1 ARG A 63 23.760 -23.476 -5.919 1.00 32.14 N ATOM 983 NH2 ARG A 63 24.489 -24.898 -7.566 1.00 10.14 N ATOM 0 H ARG A 63 23.805 -19.430 -5.477 1.00 41.34 H new ATOM 0 HA ARG A 63 26.092 -19.307 -3.661 1.00 2.41 H new ATOM 0 HB2 ARG A 63 26.106 -19.125 -6.684 1.00 44.03 H new ATOM 0 HB3 ARG A 63 27.402 -19.642 -5.624 1.00 44.03 H new ATOM 0 HG2 ARG A 63 26.761 -21.756 -6.024 1.00 65.34 H new ATOM 0 HG3 ARG A 63 25.341 -21.439 -5.046 1.00 65.34 H new ATOM 0 HD2 ARG A 63 23.976 -21.011 -6.913 1.00 22.40 H new ATOM 0 HD3 ARG A 63 25.333 -20.612 -7.947 1.00 22.40 H new ATOM 0 HE ARG A 63 25.524 -22.851 -8.529 1.00 63.41 H new ATOM 0 HH11 ARG A 63 23.707 -22.539 -5.519 1.00 32.14 H new ATOM 0 HH12 ARG A 63 23.302 -24.257 -5.450 1.00 32.14 H new ATOM 0 HH21 ARG A 63 24.998 -25.056 -8.435 1.00 10.14 H new ATOM 0 HH22 ARG A 63 24.030 -25.677 -7.095 1.00 10.14 H new ATOM 997 N ILE A 64 26.515 -16.880 -3.694 1.00 0.25 N ATOM 998 CA ILE A 64 26.790 -15.448 -3.678 1.00 23.54 C ATOM 999 C ILE A 64 28.273 -15.171 -3.904 1.00 34.20 C ATOM 1000 O ILE A 64 28.660 -14.055 -4.249 1.00 42.14 O ATOM 1001 CB ILE A 64 26.357 -14.807 -2.346 1.00 40.44 C ATOM 1002 CG1 ILE A 64 25.003 -15.365 -1.903 1.00 1.41 C ATOM 1003 CG2 ILE A 64 26.293 -13.293 -2.484 1.00 54.14 C ATOM 1004 CD1 ILE A 64 23.906 -15.172 -2.926 1.00 13.11 C ATOM 0 H ILE A 64 26.859 -17.385 -2.877 1.00 0.25 H new ATOM 0 HA ILE A 64 26.212 -15.006 -4.490 1.00 23.54 H new ATOM 0 HB ILE A 64 27.096 -15.052 -1.584 1.00 40.44 H new ATOM 0 HG12 ILE A 64 25.109 -16.429 -1.692 1.00 1.41 H new ATOM 0 HG13 ILE A 64 24.708 -14.883 -0.971 1.00 1.41 H new ATOM 0 HG21 ILE A 64 25.986 -12.854 -1.535 1.00 54.14 H new ATOM 0 HG22 ILE A 64 27.276 -12.911 -2.759 1.00 54.14 H new ATOM 0 HG23 ILE A 64 25.571 -13.028 -3.257 1.00 54.14 H new ATOM 0 HD11 ILE A 64 22.975 -15.592 -2.545 1.00 13.11 H new ATOM 0 HD12 ILE A 64 23.772 -14.108 -3.119 1.00 13.11 H new ATOM 0 HD13 ILE A 64 24.179 -15.678 -3.852 1.00 13.11 H new ATOM 1016 N ASP A 65 29.097 -16.195 -3.709 1.00 13.32 N ATOM 1017 CA ASP A 65 30.537 -16.063 -3.895 1.00 1.24 C ATOM 1018 C ASP A 65 30.853 -15.376 -5.219 1.00 45.33 C ATOM 1019 O ASP A 65 30.217 -15.646 -6.238 1.00 14.04 O ATOM 1020 CB ASP A 65 31.207 -17.437 -3.846 1.00 1.13 C ATOM 1021 CG ASP A 65 30.461 -18.474 -4.662 1.00 62.00 C ATOM 1022 OD1 ASP A 65 29.358 -18.879 -4.240 1.00 71.05 O ATOM 1023 OD2 ASP A 65 30.981 -18.881 -5.722 1.00 62.41 O ATOM 0 H ASP A 65 28.792 -17.125 -3.422 1.00 13.32 H new ATOM 0 HA ASP A 65 30.928 -15.448 -3.085 1.00 1.24 H new ATOM 0 HB2 ASP A 65 32.229 -17.353 -4.217 1.00 1.13 H new ATOM 0 HB3 ASP A 65 31.270 -17.771 -2.810 1.00 1.13 H new ATOM 1028 N ARG A 66 31.840 -14.486 -5.198 1.00 2.34 N ATOM 1029 CA ARG A 66 32.239 -13.758 -6.396 1.00 63.13 C ATOM 1030 C ARG A 66 32.471 -14.716 -7.561 1.00 44.34 C ATOM 1031 O ARG A 66 32.258 -14.361 -8.720 1.00 74.01 O ATOM 1032 CB ARG A 66 33.509 -12.948 -6.128 1.00 13.33 C ATOM 1033 CG ARG A 66 34.569 -13.715 -5.354 1.00 51.35 C ATOM 1034 CD ARG A 66 35.963 -13.181 -5.642 1.00 4.45 C ATOM 1035 NE ARG A 66 36.936 -14.256 -5.817 1.00 51.24 N ATOM 1036 CZ ARG A 66 37.049 -14.969 -6.932 1.00 44.03 C ATOM 1037 NH1 ARG A 66 36.255 -14.722 -7.965 1.00 2.01 N ATOM 1038 NH2 ARG A 66 37.959 -15.931 -7.016 1.00 61.30 N ATOM 0 H ARG A 66 32.378 -14.252 -4.364 1.00 2.34 H new ATOM 0 HA ARG A 66 31.431 -13.076 -6.662 1.00 63.13 H new ATOM 0 HB2 ARG A 66 33.930 -12.623 -7.079 1.00 13.33 H new ATOM 0 HB3 ARG A 66 33.245 -12.048 -5.572 1.00 13.33 H new ATOM 0 HG2 ARG A 66 34.364 -13.644 -4.286 1.00 51.35 H new ATOM 0 HG3 ARG A 66 34.521 -14.771 -5.618 1.00 51.35 H new ATOM 0 HD2 ARG A 66 35.937 -12.566 -6.542 1.00 4.45 H new ATOM 0 HD3 ARG A 66 36.280 -12.535 -4.823 1.00 4.45 H new ATOM 0 HE ARG A 66 37.562 -14.471 -5.041 1.00 51.24 H new ATOM 0 HH11 ARG A 66 35.555 -13.983 -7.905 1.00 2.01 H new ATOM 0 HH12 ARG A 66 36.344 -15.271 -8.820 1.00 2.01 H new ATOM 0 HH21 ARG A 66 38.572 -16.123 -6.224 1.00 61.30 H new ATOM 0 HH22 ARG A 66 38.045 -16.478 -7.873 1.00 61.30 H new ATOM 1052 N GLU A 67 32.910 -15.930 -7.245 1.00 4.14 N ATOM 1053 CA GLU A 67 33.173 -16.937 -8.266 1.00 35.22 C ATOM 1054 C GLU A 67 31.879 -17.364 -8.954 1.00 0.21 C ATOM 1055 O GLU A 67 31.832 -17.507 -10.175 1.00 42.41 O ATOM 1056 CB GLU A 67 33.860 -18.156 -7.647 1.00 32.12 C ATOM 1057 CG GLU A 67 34.250 -19.216 -8.663 1.00 44.01 C ATOM 1058 CD GLU A 67 33.552 -20.540 -8.423 1.00 34.10 C ATOM 1059 OE1 GLU A 67 34.101 -21.372 -7.670 1.00 74.15 O ATOM 1060 OE2 GLU A 67 32.457 -20.745 -8.987 1.00 53.43 O ATOM 0 H GLU A 67 33.091 -16.240 -6.290 1.00 4.14 H new ATOM 0 HA GLU A 67 33.834 -16.497 -9.013 1.00 35.22 H new ATOM 0 HB2 GLU A 67 34.753 -17.828 -7.115 1.00 32.12 H new ATOM 0 HB3 GLU A 67 33.194 -18.601 -6.907 1.00 32.12 H new ATOM 0 HG2 GLU A 67 34.010 -18.859 -9.665 1.00 44.01 H new ATOM 0 HG3 GLU A 67 35.329 -19.367 -8.629 1.00 44.01 H new ATOM 1067 N GLU A 68 30.832 -17.566 -8.160 1.00 40.10 N ATOM 1068 CA GLU A 68 29.539 -17.978 -8.693 1.00 14.33 C ATOM 1069 C GLU A 68 28.752 -16.774 -9.202 1.00 52.43 C ATOM 1070 O GLU A 68 28.350 -16.727 -10.366 1.00 31.42 O ATOM 1071 CB GLU A 68 28.731 -18.712 -7.620 1.00 52.14 C ATOM 1072 CG GLU A 68 29.008 -20.205 -7.565 1.00 51.23 C ATOM 1073 CD GLU A 68 28.017 -21.013 -8.381 1.00 1.52 C ATOM 1074 OE1 GLU A 68 27.315 -20.416 -9.223 1.00 41.45 O ATOM 1075 OE2 GLU A 68 27.944 -22.242 -8.176 1.00 62.40 O ATOM 0 H GLU A 68 30.854 -17.451 -7.147 1.00 40.10 H new ATOM 0 HA GLU A 68 29.718 -18.654 -9.529 1.00 14.33 H new ATOM 0 HB2 GLU A 68 28.953 -18.274 -6.647 1.00 52.14 H new ATOM 0 HB3 GLU A 68 27.669 -18.555 -7.806 1.00 52.14 H new ATOM 0 HG2 GLU A 68 30.017 -20.397 -7.931 1.00 51.23 H new ATOM 0 HG3 GLU A 68 28.976 -20.539 -6.528 1.00 51.23 H new ATOM 1082 N LEU A 69 28.535 -15.801 -8.324 1.00 31.34 N ATOM 1083 CA LEU A 69 27.796 -14.596 -8.683 1.00 34.11 C ATOM 1084 C LEU A 69 28.314 -14.010 -9.992 1.00 55.33 C ATOM 1085 O LEU A 69 27.653 -14.095 -11.028 1.00 34.32 O ATOM 1086 CB LEU A 69 27.904 -13.556 -7.567 1.00 10.32 C ATOM 1087 CG LEU A 69 26.599 -12.871 -7.158 1.00 61.23 C ATOM 1088 CD1 LEU A 69 26.064 -12.019 -8.299 1.00 33.14 C ATOM 1089 CD2 LEU A 69 25.566 -13.904 -6.731 1.00 42.31 C ATOM 0 H LEU A 69 28.861 -15.823 -7.358 1.00 31.34 H new ATOM 0 HA LEU A 69 26.749 -14.868 -8.817 1.00 34.11 H new ATOM 0 HB2 LEU A 69 28.328 -14.040 -6.687 1.00 10.32 H new ATOM 0 HB3 LEU A 69 28.611 -12.788 -7.881 1.00 10.32 H new ATOM 0 HG LEU A 69 26.803 -12.218 -6.309 1.00 61.23 H new ATOM 0 HD11 LEU A 69 25.135 -11.539 -7.990 1.00 33.14 H new ATOM 0 HD12 LEU A 69 26.798 -11.256 -8.558 1.00 33.14 H new ATOM 0 HD13 LEU A 69 25.875 -12.651 -9.167 1.00 33.14 H new ATOM 0 HD21 LEU A 69 24.644 -13.399 -6.443 1.00 42.31 H new ATOM 0 HD22 LEU A 69 25.365 -14.582 -7.561 1.00 42.31 H new ATOM 0 HD23 LEU A 69 25.948 -14.472 -5.883 1.00 42.31 H new ATOM 1101 N CYS A 70 29.501 -13.416 -9.940 1.00 10.32 N ATOM 1102 CA CYS A 70 30.110 -12.816 -11.121 1.00 73.42 C ATOM 1103 C CYS A 70 31.604 -12.591 -10.908 1.00 71.33 C ATOM 1104 O CYS A 70 32.429 -13.031 -11.708 1.00 31.20 O ATOM 1105 CB CYS A 70 29.425 -11.489 -11.456 1.00 25.53 C ATOM 1106 SG CYS A 70 28.870 -10.551 -9.997 1.00 3.44 S ATOM 0 H CYS A 70 30.061 -13.337 -9.091 1.00 10.32 H new ATOM 0 HA CYS A 70 29.980 -13.505 -11.956 1.00 73.42 H new ATOM 0 HB2 CYS A 70 30.115 -10.871 -12.031 1.00 25.53 H new ATOM 0 HB3 CYS A 70 28.565 -11.687 -12.096 1.00 25.53 H new ATOM 1111 N GLY A 71 31.945 -11.903 -9.823 1.00 55.41 N ATOM 1112 CA GLY A 71 33.338 -11.631 -9.524 1.00 24.01 C ATOM 1113 C GLY A 71 33.911 -10.522 -10.384 1.00 54.03 C ATOM 1114 O GLY A 71 34.349 -9.493 -9.871 1.00 2.41 O ATOM 0 H GLY A 71 31.281 -11.529 -9.145 1.00 55.41 H new ATOM 0 HA2 GLY A 71 33.434 -11.358 -8.473 1.00 24.01 H new ATOM 0 HA3 GLY A 71 33.922 -12.539 -9.672 1.00 24.01 H new ATOM 1118 N ARG A 72 33.908 -10.732 -11.697 1.00 30.04 N ATOM 1119 CA ARG A 72 34.434 -9.743 -12.630 1.00 15.23 C ATOM 1120 C ARG A 72 33.819 -8.370 -12.371 1.00 32.55 C ATOM 1121 O ARG A 72 34.453 -7.341 -12.603 1.00 74.34 O ATOM 1122 CB ARG A 72 34.157 -10.173 -14.071 1.00 63.25 C ATOM 1123 CG ARG A 72 35.327 -10.886 -14.729 1.00 65.21 C ATOM 1124 CD ARG A 72 34.868 -11.767 -15.880 1.00 55.23 C ATOM 1125 NE ARG A 72 34.119 -11.012 -16.882 1.00 13.05 N ATOM 1126 CZ ARG A 72 33.344 -11.577 -17.800 1.00 73.53 C ATOM 1127 NH1 ARG A 72 33.216 -12.896 -17.844 1.00 20.40 N ATOM 1128 NH2 ARG A 72 32.694 -10.823 -18.678 1.00 20.15 N ATOM 0 H ARG A 72 33.547 -11.578 -12.138 1.00 30.04 H new ATOM 0 HA ARG A 72 35.511 -9.674 -12.479 1.00 15.23 H new ATOM 0 HB2 ARG A 72 33.288 -10.830 -14.084 1.00 63.25 H new ATOM 0 HB3 ARG A 72 33.900 -9.293 -14.661 1.00 63.25 H new ATOM 0 HG2 ARG A 72 36.043 -10.150 -15.096 1.00 65.21 H new ATOM 0 HG3 ARG A 72 35.846 -11.494 -13.989 1.00 65.21 H new ATOM 0 HD2 ARG A 72 35.735 -12.231 -16.349 1.00 55.23 H new ATOM 0 HD3 ARG A 72 34.245 -12.573 -15.493 1.00 55.23 H new ATOM 0 HE ARG A 72 34.196 -9.995 -16.876 1.00 13.05 H new ATOM 0 HH11 ARG A 72 33.714 -13.479 -17.171 1.00 20.40 H new ATOM 0 HH12 ARG A 72 32.620 -13.327 -18.550 1.00 20.40 H new ATOM 0 HH21 ARG A 72 32.790 -9.808 -18.648 1.00 20.15 H new ATOM 0 HH22 ARG A 72 32.099 -11.259 -19.383 1.00 20.15 H new ATOM 1142 N SER A 73 32.580 -8.364 -11.888 1.00 23.12 N ATOM 1143 CA SER A 73 31.878 -7.119 -11.601 1.00 41.31 C ATOM 1144 C SER A 73 31.882 -6.825 -10.104 1.00 33.31 C ATOM 1145 O SER A 73 31.183 -7.479 -9.330 1.00 73.15 O ATOM 1146 CB SER A 73 30.439 -7.190 -12.115 1.00 32.22 C ATOM 1147 OG SER A 73 30.338 -6.658 -13.424 1.00 54.31 O ATOM 0 H SER A 73 32.042 -9.207 -11.688 1.00 23.12 H new ATOM 0 HA SER A 73 32.400 -6.310 -12.113 1.00 41.31 H new ATOM 0 HB2 SER A 73 30.100 -8.226 -12.113 1.00 32.22 H new ATOM 0 HB3 SER A 73 29.782 -6.638 -11.443 1.00 32.22 H new ATOM 0 HG SER A 73 29.409 -6.717 -13.730 1.00 54.31 H new ATOM 1153 N ALA A 74 32.675 -5.837 -9.703 1.00 55.10 N ATOM 1154 CA ALA A 74 32.769 -5.454 -8.300 1.00 35.34 C ATOM 1155 C ALA A 74 31.386 -5.216 -7.702 1.00 1.21 C ATOM 1156 O ALA A 74 31.139 -5.538 -6.540 1.00 52.52 O ATOM 1157 CB ALA A 74 33.633 -4.211 -8.148 1.00 72.32 C ATOM 0 H ALA A 74 33.262 -5.287 -10.330 1.00 55.10 H new ATOM 0 HA ALA A 74 33.235 -6.275 -7.756 1.00 35.34 H new ATOM 0 HB1 ALA A 74 33.694 -3.937 -7.095 1.00 72.32 H new ATOM 0 HB2 ALA A 74 34.634 -4.415 -8.528 1.00 72.32 H new ATOM 0 HB3 ALA A 74 33.191 -3.389 -8.712 1.00 72.32 H new ATOM 1163 N GLU A 75 30.489 -4.649 -8.503 1.00 65.34 N ATOM 1164 CA GLU A 75 29.132 -4.367 -8.051 1.00 43.42 C ATOM 1165 C GLU A 75 28.110 -5.135 -8.884 1.00 42.33 C ATOM 1166 O GLU A 75 27.836 -4.782 -10.032 1.00 3.22 O ATOM 1167 CB GLU A 75 28.847 -2.865 -8.131 1.00 32.53 C ATOM 1168 CG GLU A 75 29.272 -2.234 -9.445 1.00 42.25 C ATOM 1169 CD GLU A 75 28.233 -1.277 -9.996 1.00 73.14 C ATOM 1170 OE1 GLU A 75 27.316 -1.741 -10.706 1.00 50.32 O ATOM 1171 OE2 GLU A 75 28.336 -0.064 -9.717 1.00 64.21 O ATOM 0 H GLU A 75 30.678 -4.376 -9.468 1.00 65.34 H new ATOM 0 HA GLU A 75 29.047 -4.692 -7.014 1.00 43.42 H new ATOM 0 HB2 GLU A 75 27.780 -2.698 -7.986 1.00 32.53 H new ATOM 0 HB3 GLU A 75 29.362 -2.362 -7.313 1.00 32.53 H new ATOM 0 HG2 GLU A 75 30.211 -1.700 -9.300 1.00 42.25 H new ATOM 0 HG3 GLU A 75 29.461 -3.020 -10.177 1.00 42.25 H new ATOM 1178 N CYS A 76 27.549 -6.187 -8.299 1.00 24.44 N ATOM 1179 CA CYS A 76 26.559 -7.007 -8.985 1.00 75.40 C ATOM 1180 C CYS A 76 25.183 -6.849 -8.344 1.00 12.41 C ATOM 1181 O CYS A 76 25.031 -6.993 -7.131 1.00 5.21 O ATOM 1182 CB CYS A 76 26.978 -8.479 -8.961 1.00 11.53 C ATOM 1183 SG CYS A 76 27.628 -9.093 -10.548 1.00 2.43 S ATOM 0 H CYS A 76 27.764 -6.492 -7.350 1.00 24.44 H new ATOM 0 HA CYS A 76 26.500 -6.670 -10.020 1.00 75.40 H new ATOM 0 HB2 CYS A 76 27.738 -8.617 -8.192 1.00 11.53 H new ATOM 0 HB3 CYS A 76 26.119 -9.085 -8.673 1.00 11.53 H new ATOM 1188 N SER A 77 24.183 -6.551 -9.168 1.00 30.13 N ATOM 1189 CA SER A 77 22.820 -6.369 -8.681 1.00 63.25 C ATOM 1190 C SER A 77 21.971 -7.603 -8.972 1.00 54.51 C ATOM 1191 O SER A 77 22.175 -8.288 -9.974 1.00 71.13 O ATOM 1192 CB SER A 77 22.186 -5.135 -9.327 1.00 64.50 C ATOM 1193 OG SER A 77 22.815 -3.947 -8.881 1.00 45.52 O ATOM 0 H SER A 77 24.291 -6.431 -10.175 1.00 30.13 H new ATOM 0 HA SER A 77 22.861 -6.224 -7.601 1.00 63.25 H new ATOM 0 HB2 SER A 77 22.265 -5.207 -10.412 1.00 64.50 H new ATOM 0 HB3 SER A 77 21.123 -5.100 -9.087 1.00 64.50 H new ATOM 0 HG SER A 77 22.393 -3.173 -9.309 1.00 45.52 H new ATOM 1199 N ILE A 78 21.017 -7.878 -8.088 1.00 65.13 N ATOM 1200 CA ILE A 78 20.136 -9.028 -8.250 1.00 11.42 C ATOM 1201 C ILE A 78 18.672 -8.622 -8.112 1.00 45.44 C ATOM 1202 O ILE A 78 18.317 -7.823 -7.245 1.00 43.42 O ATOM 1203 CB ILE A 78 20.451 -10.128 -7.219 1.00 13.30 C ATOM 1204 CG1 ILE A 78 21.910 -10.570 -7.343 1.00 21.25 C ATOM 1205 CG2 ILE A 78 19.515 -11.312 -7.406 1.00 73.31 C ATOM 1206 CD1 ILE A 78 22.799 -10.034 -6.242 1.00 62.52 C ATOM 0 H ILE A 78 20.835 -7.321 -7.253 1.00 65.13 H new ATOM 0 HA ILE A 78 20.309 -9.420 -9.252 1.00 11.42 H new ATOM 0 HB ILE A 78 20.298 -9.723 -6.219 1.00 13.30 H new ATOM 0 HG12 ILE A 78 21.953 -11.659 -7.336 1.00 21.25 H new ATOM 0 HG13 ILE A 78 22.300 -10.242 -8.306 1.00 21.25 H new ATOM 0 HG21 ILE A 78 19.750 -12.081 -6.670 1.00 73.31 H new ATOM 0 HG22 ILE A 78 18.484 -10.985 -7.273 1.00 73.31 H new ATOM 0 HG23 ILE A 78 19.640 -11.719 -8.409 1.00 73.31 H new ATOM 0 HD11 ILE A 78 23.819 -10.387 -6.393 1.00 62.52 H new ATOM 0 HD12 ILE A 78 22.786 -8.944 -6.262 1.00 62.52 H new ATOM 0 HD13 ILE A 78 22.433 -10.384 -5.277 1.00 62.52 H new ATOM 1218 N HIS A 79 17.826 -9.179 -8.973 1.00 1.31 N ATOM 1219 CA HIS A 79 16.399 -8.876 -8.946 1.00 64.54 C ATOM 1220 C HIS A 79 15.590 -10.111 -8.563 1.00 75.41 C ATOM 1221 O HIS A 79 15.906 -11.227 -8.978 1.00 32.43 O ATOM 1222 CB HIS A 79 15.942 -8.355 -10.309 1.00 13.33 C ATOM 1223 CG HIS A 79 16.842 -7.303 -10.881 1.00 21.42 C ATOM 1224 ND1 HIS A 79 17.366 -7.373 -12.154 1.00 63.23 N ATOM 1225 CD2 HIS A 79 17.309 -6.151 -10.346 1.00 24.22 C ATOM 1226 CE1 HIS A 79 18.118 -6.310 -12.377 1.00 65.33 C ATOM 1227 NE2 HIS A 79 18.100 -5.553 -11.296 1.00 2.45 N ATOM 0 H HIS A 79 18.103 -9.842 -9.697 1.00 1.31 H new ATOM 0 HA HIS A 79 16.229 -8.105 -8.195 1.00 64.54 H new ATOM 0 HB2 HIS A 79 15.884 -9.190 -11.007 1.00 13.33 H new ATOM 0 HB3 HIS A 79 14.935 -7.948 -10.214 1.00 13.33 H new ATOM 0 HD2 HIS A 79 17.099 -5.773 -9.357 1.00 24.22 H new ATOM 0 HE1 HIS A 79 18.656 -6.097 -13.289 1.00 65.33 H new ATOM 0 HE2 HIS A 79 18.594 -4.667 -11.184 1.00 2.45 H new ATOM 1235 N LEU A 80 14.545 -9.905 -7.769 1.00 53.43 N ATOM 1236 CA LEU A 80 13.689 -11.001 -7.329 1.00 63.32 C ATOM 1237 C LEU A 80 12.237 -10.549 -7.219 1.00 52.42 C ATOM 1238 O LEU A 80 11.958 -9.363 -7.042 1.00 65.12 O ATOM 1239 CB LEU A 80 14.171 -11.540 -5.981 1.00 71.41 C ATOM 1240 CG LEU A 80 13.328 -12.658 -5.365 1.00 42.04 C ATOM 1241 CD1 LEU A 80 14.203 -13.603 -4.556 1.00 44.44 C ATOM 1242 CD2 LEU A 80 12.223 -12.076 -4.496 1.00 42.41 C ATOM 0 H LEU A 80 14.270 -8.988 -7.417 1.00 53.43 H new ATOM 0 HA LEU A 80 13.747 -11.795 -8.073 1.00 63.32 H new ATOM 0 HB2 LEU A 80 15.191 -11.906 -6.102 1.00 71.41 H new ATOM 0 HB3 LEU A 80 14.211 -10.711 -5.274 1.00 71.41 H new ATOM 0 HG LEU A 80 12.866 -13.226 -6.173 1.00 42.04 H new ATOM 0 HD11 LEU A 80 13.586 -14.392 -4.126 1.00 44.44 H new ATOM 0 HD12 LEU A 80 14.957 -14.047 -5.206 1.00 44.44 H new ATOM 0 HD13 LEU A 80 14.694 -13.049 -3.756 1.00 44.44 H new ATOM 0 HD21 LEU A 80 11.634 -12.886 -4.066 1.00 42.41 H new ATOM 0 HD22 LEU A 80 12.664 -11.483 -3.695 1.00 42.41 H new ATOM 0 HD23 LEU A 80 11.578 -11.441 -5.104 1.00 42.41 H new ATOM 1254 N GLU A 81 11.316 -11.501 -7.323 1.00 73.53 N ATOM 1255 CA GLU A 81 9.892 -11.200 -7.234 1.00 11.32 C ATOM 1256 C GLU A 81 9.186 -12.179 -6.300 1.00 51.23 C ATOM 1257 O GLU A 81 9.090 -13.371 -6.590 1.00 71.45 O ATOM 1258 CB GLU A 81 9.250 -11.248 -8.622 1.00 15.13 C ATOM 1259 CG GLU A 81 9.058 -9.878 -9.251 1.00 73.55 C ATOM 1260 CD GLU A 81 9.414 -9.859 -10.725 1.00 74.13 C ATOM 1261 OE1 GLU A 81 8.533 -10.179 -11.552 1.00 4.22 O ATOM 1262 OE2 GLU A 81 10.571 -9.525 -11.052 1.00 43.14 O ATOM 0 H GLU A 81 11.530 -12.488 -7.469 1.00 73.53 H new ATOM 0 HA GLU A 81 9.784 -10.195 -6.827 1.00 11.32 H new ATOM 0 HB2 GLU A 81 9.871 -11.857 -9.279 1.00 15.13 H new ATOM 0 HB3 GLU A 81 8.282 -11.744 -8.549 1.00 15.13 H new ATOM 0 HG2 GLU A 81 8.020 -9.568 -9.127 1.00 73.55 H new ATOM 0 HG3 GLU A 81 9.674 -9.150 -8.723 1.00 73.55 H new ATOM 1269 N VAL A 82 8.693 -11.666 -5.177 1.00 45.01 N ATOM 1270 CA VAL A 82 7.996 -12.494 -4.200 1.00 53.44 C ATOM 1271 C VAL A 82 6.494 -12.508 -4.465 1.00 63.20 C ATOM 1272 O VAL A 82 5.805 -11.513 -4.241 1.00 33.15 O ATOM 1273 CB VAL A 82 8.248 -11.999 -2.764 1.00 32.25 C ATOM 1274 CG1 VAL A 82 7.825 -13.055 -1.754 1.00 13.15 C ATOM 1275 CG2 VAL A 82 9.711 -11.628 -2.577 1.00 41.35 C ATOM 0 H VAL A 82 8.763 -10.681 -4.921 1.00 45.01 H new ATOM 0 HA VAL A 82 8.390 -13.505 -4.302 1.00 53.44 H new ATOM 0 HB VAL A 82 7.646 -11.106 -2.595 1.00 32.25 H new ATOM 0 HG11 VAL A 82 8.010 -12.688 -0.745 1.00 13.15 H new ATOM 0 HG12 VAL A 82 6.763 -13.268 -1.873 1.00 13.15 H new ATOM 0 HG13 VAL A 82 8.399 -13.967 -1.919 1.00 13.15 H new ATOM 0 HG21 VAL A 82 9.871 -11.280 -1.556 1.00 41.35 H new ATOM 0 HG22 VAL A 82 10.335 -12.502 -2.764 1.00 41.35 H new ATOM 0 HG23 VAL A 82 9.978 -10.835 -3.276 1.00 41.35 H new ATOM 1285 N ILE A 83 5.994 -13.643 -4.943 1.00 5.22 N ATOM 1286 CA ILE A 83 4.574 -13.787 -5.236 1.00 61.44 C ATOM 1287 C ILE A 83 3.800 -14.233 -4.001 1.00 11.05 C ATOM 1288 O ILE A 83 4.208 -15.159 -3.300 1.00 35.52 O ATOM 1289 CB ILE A 83 4.334 -14.800 -6.371 1.00 61.35 C ATOM 1290 CG1 ILE A 83 2.835 -15.039 -6.563 1.00 30.44 C ATOM 1291 CG2 ILE A 83 5.051 -16.109 -6.074 1.00 41.21 C ATOM 1292 CD1 ILE A 83 2.314 -16.243 -5.809 1.00 2.15 C ATOM 0 H ILE A 83 6.551 -14.475 -5.135 1.00 5.22 H new ATOM 0 HA ILE A 83 4.216 -12.807 -5.552 1.00 61.44 H new ATOM 0 HB ILE A 83 4.738 -14.389 -7.296 1.00 61.35 H new ATOM 0 HG12 ILE A 83 2.289 -14.153 -6.238 1.00 30.44 H new ATOM 0 HG13 ILE A 83 2.629 -15.169 -7.625 1.00 30.44 H new ATOM 0 HG21 ILE A 83 4.872 -16.814 -6.885 1.00 41.21 H new ATOM 0 HG22 ILE A 83 6.122 -15.925 -5.983 1.00 41.21 H new ATOM 0 HG23 ILE A 83 4.674 -16.527 -5.140 1.00 41.21 H new ATOM 0 HD11 ILE A 83 1.245 -16.352 -5.991 1.00 2.15 H new ATOM 0 HD12 ILE A 83 2.833 -17.139 -6.150 1.00 2.15 H new ATOM 0 HD13 ILE A 83 2.488 -16.107 -4.742 1.00 2.15 H new ATOM 1304 N VAL A 84 2.679 -13.568 -3.739 1.00 51.24 N ATOM 1305 CA VAL A 84 1.845 -13.897 -2.590 1.00 11.23 C ATOM 1306 C VAL A 84 0.384 -14.054 -2.997 1.00 43.14 C ATOM 1307 O VAL A 84 -0.139 -13.267 -3.786 1.00 41.41 O ATOM 1308 CB VAL A 84 1.948 -12.818 -1.495 1.00 33.52 C ATOM 1309 CG1 VAL A 84 3.331 -12.830 -0.862 1.00 11.00 C ATOM 1310 CG2 VAL A 84 1.626 -11.446 -2.067 1.00 74.30 C ATOM 0 H VAL A 84 2.328 -12.798 -4.308 1.00 51.24 H new ATOM 0 HA VAL A 84 2.212 -14.844 -2.194 1.00 11.23 H new ATOM 0 HB VAL A 84 1.217 -13.043 -0.718 1.00 33.52 H new ATOM 0 HG11 VAL A 84 3.385 -12.061 -0.091 1.00 11.00 H new ATOM 0 HG12 VAL A 84 3.518 -13.806 -0.415 1.00 11.00 H new ATOM 0 HG13 VAL A 84 4.083 -12.631 -1.626 1.00 11.00 H new ATOM 0 HG21 VAL A 84 1.704 -10.696 -1.280 1.00 74.30 H new ATOM 0 HG22 VAL A 84 2.331 -11.210 -2.864 1.00 74.30 H new ATOM 0 HG23 VAL A 84 0.612 -11.448 -2.468 1.00 74.30 H new ATOM 1320 N ASP A 85 -0.269 -15.075 -2.454 1.00 70.35 N ATOM 1321 CA ASP A 85 -1.671 -15.335 -2.760 1.00 70.40 C ATOM 1322 C ASP A 85 -2.567 -14.923 -1.596 1.00 5.11 C ATOM 1323 O ASP A 85 -2.510 -15.513 -0.517 1.00 5.31 O ATOM 1324 CB ASP A 85 -1.879 -16.817 -3.080 1.00 11.52 C ATOM 1325 CG ASP A 85 -2.596 -17.029 -4.399 1.00 4.02 C ATOM 1326 OD1 ASP A 85 -1.933 -16.944 -5.454 1.00 30.13 O ATOM 1327 OD2 ASP A 85 -3.819 -17.279 -4.376 1.00 71.33 O ATOM 0 H ASP A 85 0.150 -15.736 -1.800 1.00 70.35 H new ATOM 0 HA ASP A 85 -1.943 -14.741 -3.632 1.00 70.40 H new ATOM 0 HB2 ASP A 85 -0.912 -17.318 -3.111 1.00 11.52 H new ATOM 0 HB3 ASP A 85 -2.453 -17.282 -2.279 1.00 11.52 H new ATOM 1332 N ARG A 86 -3.392 -13.906 -1.822 1.00 63.03 N ATOM 1333 CA ARG A 86 -4.297 -13.413 -0.792 1.00 34.03 C ATOM 1334 C ARG A 86 -3.524 -12.709 0.320 1.00 75.21 C ATOM 1335 O ARG A 86 -3.182 -13.302 1.343 1.00 65.52 O ATOM 1336 CB ARG A 86 -5.115 -14.566 -0.207 1.00 74.25 C ATOM 1337 CG ARG A 86 -6.565 -14.204 0.072 1.00 70.43 C ATOM 1338 CD ARG A 86 -7.502 -15.351 -0.274 1.00 61.22 C ATOM 1339 NE ARG A 86 -8.711 -15.337 0.545 1.00 3.43 N ATOM 1340 CZ ARG A 86 -9.831 -15.968 0.214 1.00 71.35 C ATOM 1341 NH1 ARG A 86 -9.896 -16.661 -0.915 1.00 31.41 N ATOM 1342 NH2 ARG A 86 -10.889 -15.908 1.012 1.00 75.04 N ATOM 0 H ARG A 86 -3.452 -13.407 -2.710 1.00 63.03 H new ATOM 0 HA ARG A 86 -4.974 -12.693 -1.253 1.00 34.03 H new ATOM 0 HB2 ARG A 86 -5.086 -15.408 -0.898 1.00 74.25 H new ATOM 0 HB3 ARG A 86 -4.647 -14.898 0.720 1.00 74.25 H new ATOM 0 HG2 ARG A 86 -6.680 -13.943 1.124 1.00 70.43 H new ATOM 0 HG3 ARG A 86 -6.839 -13.322 -0.507 1.00 70.43 H new ATOM 0 HD2 ARG A 86 -7.777 -15.289 -1.327 1.00 61.22 H new ATOM 0 HD3 ARG A 86 -6.981 -16.299 -0.135 1.00 61.22 H new ATOM 0 HE ARG A 86 -8.694 -14.813 1.420 1.00 3.43 H new ATOM 0 HH11 ARG A 86 -9.084 -16.710 -1.531 1.00 31.41 H new ATOM 0 HH12 ARG A 86 -10.758 -17.145 -1.167 1.00 31.41 H new ATOM 0 HH21 ARG A 86 -10.843 -15.376 1.881 1.00 75.04 H new ATOM 0 HH22 ARG A 86 -11.749 -16.393 0.756 1.00 75.04 H new ATOM 1356 N PRO A 87 -3.243 -11.414 0.116 1.00 3.24 N ATOM 1357 CA PRO A 87 -3.645 -10.697 -1.097 1.00 73.34 C ATOM 1358 C PRO A 87 -2.871 -11.160 -2.327 1.00 55.13 C ATOM 1359 O PRO A 87 -1.781 -11.721 -2.213 1.00 1.15 O ATOM 1360 CB PRO A 87 -3.314 -9.238 -0.775 1.00 24.24 C ATOM 1361 CG PRO A 87 -2.230 -9.313 0.246 1.00 55.24 C ATOM 1362 CD PRO A 87 -2.509 -10.549 1.055 1.00 3.14 C ATOM 0 HA PRO A 87 -4.694 -10.866 -1.341 1.00 73.34 H new ATOM 0 HB2 PRO A 87 -2.984 -8.701 -1.664 1.00 24.24 H new ATOM 0 HB3 PRO A 87 -4.186 -8.710 -0.389 1.00 24.24 H new ATOM 0 HG2 PRO A 87 -1.250 -9.370 -0.228 1.00 55.24 H new ATOM 0 HG3 PRO A 87 -2.227 -8.425 0.878 1.00 55.24 H new ATOM 0 HD2 PRO A 87 -1.588 -11.020 1.399 1.00 3.14 H new ATOM 0 HD3 PRO A 87 -3.102 -10.324 1.941 1.00 3.14 H new ATOM 1370 N LEU A 88 -3.441 -10.921 -3.503 1.00 73.22 N ATOM 1371 CA LEU A 88 -2.804 -11.313 -4.756 1.00 33.13 C ATOM 1372 C LEU A 88 -1.926 -10.189 -5.295 1.00 42.20 C ATOM 1373 O LEU A 88 -2.427 -9.153 -5.732 1.00 4.14 O ATOM 1374 CB LEU A 88 -3.863 -11.691 -5.793 1.00 52.31 C ATOM 1375 CG LEU A 88 -3.969 -13.178 -6.134 1.00 11.44 C ATOM 1376 CD1 LEU A 88 -2.619 -13.721 -6.576 1.00 34.42 C ATOM 1377 CD2 LEU A 88 -4.497 -13.962 -4.941 1.00 52.50 C ATOM 0 H LEU A 88 -4.343 -10.458 -3.615 1.00 73.22 H new ATOM 0 HA LEU A 88 -2.173 -12.179 -4.559 1.00 33.13 H new ATOM 0 HB2 LEU A 88 -4.834 -11.352 -5.432 1.00 52.31 H new ATOM 0 HB3 LEU A 88 -3.655 -11.142 -6.712 1.00 52.31 H new ATOM 0 HG LEU A 88 -4.672 -13.293 -6.959 1.00 11.44 H new ATOM 0 HD11 LEU A 88 -2.713 -14.780 -6.815 1.00 34.42 H new ATOM 0 HD12 LEU A 88 -2.280 -13.179 -7.459 1.00 34.42 H new ATOM 0 HD13 LEU A 88 -1.894 -13.593 -5.772 1.00 34.42 H new ATOM 0 HD21 LEU A 88 -4.566 -15.018 -5.201 1.00 52.50 H new ATOM 0 HD22 LEU A 88 -3.819 -13.840 -4.096 1.00 52.50 H new ATOM 0 HD23 LEU A 88 -5.485 -13.590 -4.670 1.00 52.50 H new ATOM 1389 N GLN A 89 -0.614 -10.402 -5.263 1.00 34.21 N ATOM 1390 CA GLN A 89 0.333 -9.407 -5.750 1.00 42.22 C ATOM 1391 C GLN A 89 1.767 -9.907 -5.612 1.00 3.11 C ATOM 1392 O GLN A 89 2.005 -11.018 -5.139 1.00 63.42 O ATOM 1393 CB GLN A 89 0.163 -8.093 -4.986 1.00 52.31 C ATOM 1394 CG GLN A 89 -0.418 -6.969 -5.830 1.00 22.23 C ATOM 1395 CD GLN A 89 0.650 -6.164 -6.544 1.00 31.11 C ATOM 1396 OE1 GLN A 89 0.684 -6.109 -7.774 1.00 34.04 O ATOM 1397 NE2 GLN A 89 1.530 -5.534 -5.775 1.00 12.41 N ATOM 0 H GLN A 89 -0.183 -11.255 -4.905 1.00 34.21 H new ATOM 0 HA GLN A 89 0.128 -9.234 -6.806 1.00 42.22 H new ATOM 0 HB2 GLN A 89 -0.485 -8.263 -4.127 1.00 52.31 H new ATOM 0 HB3 GLN A 89 1.132 -7.780 -4.597 1.00 52.31 H new ATOM 0 HG2 GLN A 89 -1.104 -7.389 -6.566 1.00 22.23 H new ATOM 0 HG3 GLN A 89 -1.002 -6.306 -5.192 1.00 22.23 H new ATOM 0 HE21 GLN A 89 1.464 -5.607 -4.760 1.00 12.41 H new ATOM 0 HE22 GLN A 89 2.272 -4.977 -6.199 1.00 12.41 H new ATOM 1406 N VAL A 90 2.720 -9.079 -6.028 1.00 3.21 N ATOM 1407 CA VAL A 90 4.132 -9.436 -5.950 1.00 34.53 C ATOM 1408 C VAL A 90 4.941 -8.336 -5.273 1.00 51.33 C ATOM 1409 O VAL A 90 4.538 -7.172 -5.261 1.00 61.33 O ATOM 1410 CB VAL A 90 4.720 -9.707 -7.347 1.00 44.41 C ATOM 1411 CG1 VAL A 90 6.083 -10.373 -7.233 1.00 1.32 C ATOM 1412 CG2 VAL A 90 3.768 -10.560 -8.170 1.00 72.42 C ATOM 0 H VAL A 90 2.540 -8.156 -6.423 1.00 3.21 H new ATOM 0 HA VAL A 90 4.196 -10.347 -5.355 1.00 34.53 H new ATOM 0 HB VAL A 90 4.850 -8.753 -7.858 1.00 44.41 H new ATOM 0 HG11 VAL A 90 6.483 -10.557 -8.230 1.00 1.32 H new ATOM 0 HG12 VAL A 90 6.762 -9.720 -6.684 1.00 1.32 H new ATOM 0 HG13 VAL A 90 5.982 -11.320 -6.702 1.00 1.32 H new ATOM 0 HG21 VAL A 90 4.200 -10.741 -9.154 1.00 72.42 H new ATOM 0 HG22 VAL A 90 3.603 -11.512 -7.665 1.00 72.42 H new ATOM 0 HG23 VAL A 90 2.817 -10.039 -8.282 1.00 72.42 H new ATOM 1422 N PHE A 91 6.085 -8.711 -4.711 1.00 42.51 N ATOM 1423 CA PHE A 91 6.952 -7.755 -4.032 1.00 2.13 C ATOM 1424 C PHE A 91 8.314 -7.675 -4.715 1.00 24.22 C ATOM 1425 O PHE A 91 9.064 -8.652 -4.747 1.00 13.15 O ATOM 1426 CB PHE A 91 7.128 -8.148 -2.563 1.00 53.33 C ATOM 1427 CG PHE A 91 5.838 -8.188 -1.795 1.00 75.13 C ATOM 1428 CD1 PHE A 91 5.109 -7.030 -1.578 1.00 74.02 C ATOM 1429 CD2 PHE A 91 5.354 -9.384 -1.290 1.00 21.31 C ATOM 1430 CE1 PHE A 91 3.921 -7.064 -0.872 1.00 53.22 C ATOM 1431 CE2 PHE A 91 4.167 -9.424 -0.584 1.00 32.23 C ATOM 1432 CZ PHE A 91 3.450 -8.262 -0.373 1.00 71.54 C ATOM 0 H PHE A 91 6.433 -9.670 -4.712 1.00 42.51 H new ATOM 0 HA PHE A 91 6.481 -6.774 -4.085 1.00 2.13 H new ATOM 0 HB2 PHE A 91 7.603 -9.128 -2.512 1.00 53.33 H new ATOM 0 HB3 PHE A 91 7.805 -7.440 -2.084 1.00 53.33 H new ATOM 0 HD1 PHE A 91 5.473 -6.090 -1.965 1.00 74.02 H new ATOM 0 HD2 PHE A 91 5.911 -10.295 -1.450 1.00 21.31 H new ATOM 0 HE1 PHE A 91 3.362 -6.154 -0.711 1.00 53.22 H new ATOM 0 HE2 PHE A 91 3.800 -10.363 -0.197 1.00 32.23 H new ATOM 0 HZ PHE A 91 2.523 -8.291 0.181 1.00 71.54 H new ATOM 1442 N HIS A 92 8.628 -6.505 -5.261 1.00 41.32 N ATOM 1443 CA HIS A 92 9.900 -6.296 -5.944 1.00 71.33 C ATOM 1444 C HIS A 92 11.056 -6.282 -4.948 1.00 74.34 C ATOM 1445 O HIS A 92 11.115 -5.430 -4.062 1.00 52.34 O ATOM 1446 CB HIS A 92 9.872 -4.985 -6.730 1.00 1.34 C ATOM 1447 CG HIS A 92 10.094 -5.162 -8.200 1.00 73.32 C ATOM 1448 ND1 HIS A 92 11.335 -5.405 -8.750 1.00 54.35 N ATOM 1449 CD2 HIS A 92 9.223 -5.133 -9.236 1.00 64.25 C ATOM 1450 CE1 HIS A 92 11.218 -5.515 -10.062 1.00 23.33 C ATOM 1451 NE2 HIS A 92 9.947 -5.355 -10.382 1.00 60.03 N ATOM 0 H HIS A 92 8.019 -5.687 -5.244 1.00 41.32 H new ATOM 0 HA HIS A 92 10.052 -7.123 -6.638 1.00 71.33 H new ATOM 0 HB2 HIS A 92 8.910 -4.497 -6.573 1.00 1.34 H new ATOM 0 HB3 HIS A 92 10.637 -4.317 -6.333 1.00 1.34 H new ATOM 0 HD2 HIS A 92 8.158 -4.966 -9.173 1.00 64.25 H new ATOM 0 HE1 HIS A 92 12.025 -5.704 -10.755 1.00 23.33 H new ATOM 0 HE2 HIS A 92 9.565 -5.390 -11.327 1.00 60.03 H new ATOM 1459 N VAL A 93 11.972 -7.233 -5.100 1.00 4.13 N ATOM 1460 CA VAL A 93 13.127 -7.330 -4.214 1.00 54.31 C ATOM 1461 C VAL A 93 14.430 -7.176 -4.991 1.00 15.34 C ATOM 1462 O VAL A 93 14.592 -7.747 -6.068 1.00 52.34 O ATOM 1463 CB VAL A 93 13.146 -8.674 -3.462 1.00 52.30 C ATOM 1464 CG1 VAL A 93 14.447 -8.836 -2.691 1.00 12.32 C ATOM 1465 CG2 VAL A 93 11.948 -8.780 -2.531 1.00 13.22 C ATOM 0 H VAL A 93 11.937 -7.947 -5.828 1.00 4.13 H new ATOM 0 HA VAL A 93 13.041 -6.519 -3.491 1.00 54.31 H new ATOM 0 HB VAL A 93 13.082 -9.480 -4.192 1.00 52.30 H new ATOM 0 HG11 VAL A 93 14.442 -9.791 -2.166 1.00 12.32 H new ATOM 0 HG12 VAL A 93 15.287 -8.807 -3.385 1.00 12.32 H new ATOM 0 HG13 VAL A 93 14.545 -8.026 -1.969 1.00 12.32 H new ATOM 0 HG21 VAL A 93 11.977 -9.736 -2.008 1.00 13.22 H new ATOM 0 HG22 VAL A 93 11.979 -7.968 -1.805 1.00 13.22 H new ATOM 0 HG23 VAL A 93 11.028 -8.713 -3.112 1.00 13.22 H new ATOM 1475 N GLU A 94 15.355 -6.400 -4.435 1.00 24.53 N ATOM 1476 CA GLU A 94 16.645 -6.171 -5.076 1.00 73.52 C ATOM 1477 C GLU A 94 17.784 -6.295 -4.068 1.00 54.00 C ATOM 1478 O GLU A 94 17.954 -5.440 -3.199 1.00 13.12 O ATOM 1479 CB GLU A 94 16.676 -4.788 -5.730 1.00 75.51 C ATOM 1480 CG GLU A 94 15.544 -4.557 -6.718 1.00 5.00 C ATOM 1481 CD GLU A 94 15.338 -3.088 -7.035 1.00 32.54 C ATOM 1482 OE1 GLU A 94 15.750 -2.241 -6.216 1.00 12.34 O ATOM 1483 OE2 GLU A 94 14.764 -2.788 -8.102 1.00 50.53 O ATOM 0 H GLU A 94 15.236 -5.920 -3.543 1.00 24.53 H new ATOM 0 HA GLU A 94 16.780 -6.932 -5.845 1.00 73.52 H new ATOM 0 HB2 GLU A 94 16.629 -4.026 -4.952 1.00 75.51 H new ATOM 0 HB3 GLU A 94 17.628 -4.660 -6.245 1.00 75.51 H new ATOM 0 HG2 GLU A 94 15.756 -5.098 -7.640 1.00 5.00 H new ATOM 0 HG3 GLU A 94 14.621 -4.970 -6.311 1.00 5.00 H new ATOM 1490 N VAL A 95 18.561 -7.366 -4.191 1.00 21.13 N ATOM 1491 CA VAL A 95 19.684 -7.603 -3.292 1.00 2.55 C ATOM 1492 C VAL A 95 21.014 -7.381 -4.003 1.00 41.03 C ATOM 1493 O VAL A 95 21.239 -7.904 -5.094 1.00 44.53 O ATOM 1494 CB VAL A 95 19.653 -9.032 -2.718 1.00 42.24 C ATOM 1495 CG1 VAL A 95 18.421 -9.232 -1.849 1.00 60.12 C ATOM 1496 CG2 VAL A 95 19.696 -10.057 -3.842 1.00 12.14 C ATOM 0 H VAL A 95 18.433 -8.084 -4.905 1.00 21.13 H new ATOM 0 HA VAL A 95 19.589 -6.889 -2.474 1.00 2.55 H new ATOM 0 HB VAL A 95 20.535 -9.174 -2.093 1.00 42.24 H new ATOM 0 HG11 VAL A 95 18.416 -10.247 -1.452 1.00 60.12 H new ATOM 0 HG12 VAL A 95 18.438 -8.520 -1.024 1.00 60.12 H new ATOM 0 HG13 VAL A 95 17.524 -9.072 -2.447 1.00 60.12 H new ATOM 0 HG21 VAL A 95 19.673 -11.062 -3.419 1.00 12.14 H new ATOM 0 HG22 VAL A 95 18.834 -9.918 -4.494 1.00 12.14 H new ATOM 0 HG23 VAL A 95 20.612 -9.926 -4.419 1.00 12.14 H new ATOM 1506 N GLU A 96 21.892 -6.603 -3.377 1.00 53.14 N ATOM 1507 CA GLU A 96 23.200 -6.312 -3.952 1.00 71.12 C ATOM 1508 C GLU A 96 24.299 -7.075 -3.218 1.00 74.40 C ATOM 1509 O GLU A 96 24.148 -7.432 -2.049 1.00 50.42 O ATOM 1510 CB GLU A 96 23.483 -4.810 -3.897 1.00 3.52 C ATOM 1511 CG GLU A 96 23.675 -4.175 -5.264 1.00 74.43 C ATOM 1512 CD GLU A 96 24.236 -2.769 -5.182 1.00 73.10 C ATOM 1513 OE1 GLU A 96 24.324 -2.230 -4.059 1.00 51.34 O ATOM 1514 OE2 GLU A 96 24.587 -2.208 -6.241 1.00 71.33 O ATOM 0 H GLU A 96 21.721 -6.163 -2.473 1.00 53.14 H new ATOM 0 HA GLU A 96 23.191 -6.635 -4.993 1.00 71.12 H new ATOM 0 HB2 GLU A 96 22.658 -4.312 -3.387 1.00 3.52 H new ATOM 0 HB3 GLU A 96 24.377 -4.639 -3.298 1.00 3.52 H new ATOM 0 HG2 GLU A 96 24.346 -4.796 -5.857 1.00 74.43 H new ATOM 0 HG3 GLU A 96 22.719 -4.150 -5.786 1.00 74.43 H new ATOM 1521 N VAL A 97 25.404 -7.324 -3.913 1.00 2.11 N ATOM 1522 CA VAL A 97 26.529 -8.044 -3.328 1.00 70.13 C ATOM 1523 C VAL A 97 27.583 -7.079 -2.796 1.00 74.22 C ATOM 1524 O VAL A 97 28.130 -6.268 -3.543 1.00 72.12 O ATOM 1525 CB VAL A 97 27.185 -8.989 -4.353 1.00 54.43 C ATOM 1526 CG1 VAL A 97 26.332 -10.232 -4.555 1.00 41.05 C ATOM 1527 CG2 VAL A 97 27.411 -8.267 -5.673 1.00 41.02 C ATOM 0 H VAL A 97 25.544 -7.038 -4.882 1.00 2.11 H new ATOM 0 HA VAL A 97 26.132 -8.635 -2.503 1.00 70.13 H new ATOM 0 HB VAL A 97 28.154 -9.302 -3.965 1.00 54.43 H new ATOM 0 HG11 VAL A 97 26.811 -10.888 -5.282 1.00 41.05 H new ATOM 0 HG12 VAL A 97 26.226 -10.758 -3.606 1.00 41.05 H new ATOM 0 HG13 VAL A 97 25.347 -9.942 -4.921 1.00 41.05 H new ATOM 0 HG21 VAL A 97 27.875 -8.949 -6.386 1.00 41.02 H new ATOM 0 HG22 VAL A 97 26.455 -7.924 -6.068 1.00 41.02 H new ATOM 0 HG23 VAL A 97 28.065 -7.410 -5.512 1.00 41.02 H new ATOM 1537 N ARG A 98 27.862 -7.173 -1.500 1.00 65.24 N ATOM 1538 CA ARG A 98 28.850 -6.308 -0.867 1.00 45.15 C ATOM 1539 C ARG A 98 30.221 -6.978 -0.840 1.00 3.45 C ATOM 1540 O ARG A 98 30.412 -7.997 -0.177 1.00 34.53 O ATOM 1541 CB ARG A 98 28.414 -5.956 0.556 1.00 40.42 C ATOM 1542 CG ARG A 98 29.301 -4.919 1.226 1.00 61.11 C ATOM 1543 CD ARG A 98 28.765 -3.511 1.020 1.00 4.13 C ATOM 1544 NE ARG A 98 29.124 -2.975 -0.290 1.00 3.42 N ATOM 1545 CZ ARG A 98 28.949 -1.704 -0.637 1.00 63.40 C ATOM 1546 NH1 ARG A 98 28.424 -0.845 0.224 1.00 13.45 N ATOM 1547 NH2 ARG A 98 29.301 -1.292 -1.848 1.00 41.12 N ATOM 0 H ARG A 98 27.418 -7.839 -0.868 1.00 65.24 H new ATOM 0 HA ARG A 98 28.924 -5.392 -1.454 1.00 45.15 H new ATOM 0 HB2 ARG A 98 27.390 -5.584 0.532 1.00 40.42 H new ATOM 0 HB3 ARG A 98 28.410 -6.863 1.160 1.00 40.42 H new ATOM 0 HG2 ARG A 98 29.369 -5.131 2.293 1.00 61.11 H new ATOM 0 HG3 ARG A 98 30.311 -4.988 0.823 1.00 61.11 H new ATOM 0 HD2 ARG A 98 27.680 -3.517 1.124 1.00 4.13 H new ATOM 0 HD3 ARG A 98 29.156 -2.857 1.799 1.00 4.13 H new ATOM 0 HE ARG A 98 29.531 -3.611 -0.976 1.00 3.42 H new ATOM 0 HH11 ARG A 98 28.153 -1.158 1.156 1.00 13.45 H new ATOM 0 HH12 ARG A 98 28.291 0.130 -0.045 1.00 13.45 H new ATOM 0 HH21 ARG A 98 29.706 -1.951 -2.513 1.00 41.12 H new ATOM 0 HH22 ARG A 98 29.167 -0.317 -2.114 1.00 41.12 H new ATOM 1561 N ASP A 99 31.172 -6.397 -1.563 1.00 61.45 N ATOM 1562 CA ASP A 99 32.526 -6.937 -1.622 1.00 34.35 C ATOM 1563 C ASP A 99 33.418 -6.072 -2.505 1.00 44.40 C ATOM 1564 O ASP A 99 32.976 -5.060 -3.049 1.00 53.51 O ATOM 1565 CB ASP A 99 32.503 -8.373 -2.149 1.00 12.30 C ATOM 1566 CG ASP A 99 33.391 -9.300 -1.342 1.00 54.05 C ATOM 1567 OD1 ASP A 99 33.193 -9.389 -0.113 1.00 4.52 O ATOM 1568 OD2 ASP A 99 34.283 -9.937 -1.941 1.00 3.50 O ATOM 0 H ASP A 99 31.031 -5.552 -2.117 1.00 61.45 H new ATOM 0 HA ASP A 99 32.935 -6.936 -0.612 1.00 34.35 H new ATOM 0 HB2 ASP A 99 31.480 -8.747 -2.130 1.00 12.30 H new ATOM 0 HB3 ASP A 99 32.826 -8.380 -3.190 1.00 12.30 H new ATOM 1573 N ILE A 100 34.677 -6.476 -2.642 1.00 53.21 N ATOM 1574 CA ILE A 100 35.631 -5.737 -3.459 1.00 41.03 C ATOM 1575 C ILE A 100 36.191 -6.611 -4.577 1.00 34.04 C ATOM 1576 O ILE A 100 36.130 -7.838 -4.508 1.00 52.22 O ATOM 1577 CB ILE A 100 36.798 -5.197 -2.612 1.00 43.10 C ATOM 1578 CG1 ILE A 100 37.479 -6.339 -1.855 1.00 34.14 C ATOM 1579 CG2 ILE A 100 36.302 -4.133 -1.644 1.00 22.53 C ATOM 1580 CD1 ILE A 100 38.734 -5.916 -1.124 1.00 33.42 C ATOM 0 H ILE A 100 35.059 -7.311 -2.198 1.00 53.21 H new ATOM 0 HA ILE A 100 35.089 -4.897 -3.894 1.00 41.03 H new ATOM 0 HB ILE A 100 37.530 -4.741 -3.278 1.00 43.10 H new ATOM 0 HG12 ILE A 100 36.774 -6.759 -1.137 1.00 34.14 H new ATOM 0 HG13 ILE A 100 37.728 -7.133 -2.559 1.00 34.14 H new ATOM 0 HG21 ILE A 100 37.138 -3.761 -1.052 1.00 22.53 H new ATOM 0 HG22 ILE A 100 35.859 -3.309 -2.204 1.00 22.53 H new ATOM 0 HG23 ILE A 100 35.553 -4.565 -0.981 1.00 22.53 H new ATOM 0 HD11 ILE A 100 39.163 -6.776 -0.610 1.00 33.42 H new ATOM 0 HD12 ILE A 100 39.457 -5.523 -1.839 1.00 33.42 H new ATOM 0 HD13 ILE A 100 38.488 -5.144 -0.395 1.00 33.42 H new