USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 578 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 23 SER OG : rot -123:sc= 1.16 USER MOD Set 1.2: A 26 SER OG : rot -100:sc= 1.11 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 169:sc= 0.297 (180deg=0.248) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.171 F(o=-1.6,f=-0.17) USER MOD Single : A 25 ASN : amide:sc= -0.379 X(o=-0.38,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= -0.0426 (180deg=-0.234) USER MOD Single : A 29 GLN : amide:sc= 0.101 K(o=0.1,f=-3.3!) USER MOD Single : A 34 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.28) USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= -0.0018 (180deg=-0.0658) USER MOD Single : A 36 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 38 ASN : amide:sc= 0.137 K(o=0.14,f=-1.2) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc=-0.00234 K(o=-0.0023,f=-1.4) USER MOD Single : A 55 TYR OH : rot 159:sc= 1.5 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.789 USER MOD Single : A 62 GLN : amide:sc= -0.428 X(o=-0.43,f=-0.72) USER MOD Single : A 64 ASN : amide:sc= -0.0186 X(o=-0.019,f=-0.0016) USER MOD Single : A 65 THR OG1 : rot -3:sc= 0.518 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 155:sc= -1.43 (180deg=-2.44!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 75 N GLU A 6 -13.737 -4.431 5.694 1.00 12.53 N ATOM 76 CA GLU A 6 -13.371 -5.191 4.490 1.00 54.21 C ATOM 77 C GLU A 6 -12.591 -4.309 3.504 1.00 41.12 C ATOM 78 O GLU A 6 -11.787 -4.817 2.719 1.00 72.54 O ATOM 79 CB GLU A 6 -14.651 -5.773 3.823 1.00 44.11 C ATOM 80 CG GLU A 6 -14.382 -6.784 2.690 1.00 40.21 C ATOM 81 CD GLU A 6 -15.668 -7.375 2.095 1.00 15.23 C ATOM 82 OE1 GLU A 6 -16.129 -6.894 1.046 1.00 75.24 O ATOM 83 OE2 GLU A 6 -16.229 -8.322 2.681 1.00 12.43 O ATOM 0 HA GLU A 6 -12.722 -6.017 4.780 1.00 54.21 H new ATOM 0 HB2 GLU A 6 -15.255 -6.258 4.589 1.00 44.11 H new ATOM 0 HB3 GLU A 6 -15.243 -4.950 3.424 1.00 44.11 H new ATOM 0 HG2 GLU A 6 -13.815 -6.293 1.899 1.00 40.21 H new ATOM 0 HG3 GLU A 6 -13.760 -7.593 3.073 1.00 40.21 H new ATOM 90 N GLU A 7 -12.822 -2.983 3.557 1.00 33.33 N ATOM 91 CA GLU A 7 -12.121 -2.024 2.691 1.00 43.55 C ATOM 92 C GLU A 7 -10.615 -2.000 3.008 1.00 13.31 C ATOM 93 O GLU A 7 -9.807 -1.932 2.085 1.00 55.21 O ATOM 94 CB GLU A 7 -12.737 -0.606 2.787 1.00 55.13 C ATOM 95 CG GLU A 7 -14.261 -0.547 2.530 1.00 3.14 C ATOM 96 CD GLU A 7 -14.730 -1.327 1.278 1.00 54.02 C ATOM 97 OE1 GLU A 7 -15.493 -2.315 1.408 1.00 21.32 O ATOM 98 OE2 GLU A 7 -14.319 -0.972 0.156 1.00 13.11 O ATOM 0 H GLU A 7 -13.492 -2.553 4.195 1.00 33.33 H new ATOM 0 HA GLU A 7 -12.246 -2.359 1.661 1.00 43.55 H new ATOM 0 HB2 GLU A 7 -12.533 -0.202 3.779 1.00 55.13 H new ATOM 0 HB3 GLU A 7 -12.235 0.043 2.069 1.00 55.13 H new ATOM 0 HG2 GLU A 7 -14.780 -0.941 3.404 1.00 3.14 H new ATOM 0 HG3 GLU A 7 -14.559 0.496 2.426 1.00 3.14 H new ATOM 105 N LYS A 8 -10.238 -2.108 4.318 1.00 30.20 N ATOM 106 CA LYS A 8 -8.806 -2.224 4.709 1.00 61.43 C ATOM 107 C LYS A 8 -8.192 -3.489 4.056 1.00 11.42 C ATOM 108 O LYS A 8 -7.106 -3.420 3.484 1.00 65.21 O ATOM 109 CB LYS A 8 -8.563 -2.304 6.255 1.00 52.54 C ATOM 110 CG LYS A 8 -8.937 -1.055 7.106 1.00 60.42 C ATOM 111 CD LYS A 8 -10.441 -0.989 7.426 1.00 45.21 C ATOM 112 CE LYS A 8 -10.818 0.031 8.516 1.00 13.15 C ATOM 113 NZ LYS A 8 -10.603 1.444 8.098 1.00 52.24 N ATOM 0 H LYS A 8 -10.892 -2.117 5.101 1.00 30.20 H new ATOM 0 HA LYS A 8 -8.330 -1.309 4.358 1.00 61.43 H new ATOM 0 HB2 LYS A 8 -9.125 -3.155 6.640 1.00 52.54 H new ATOM 0 HB3 LYS A 8 -7.507 -2.519 6.419 1.00 52.54 H new ATOM 0 HG2 LYS A 8 -8.371 -1.071 8.037 1.00 60.42 H new ATOM 0 HG3 LYS A 8 -8.643 -0.153 6.570 1.00 60.42 H new ATOM 0 HD2 LYS A 8 -10.983 -0.743 6.513 1.00 45.21 H new ATOM 0 HD3 LYS A 8 -10.777 -1.978 7.740 1.00 45.21 H new ATOM 0 HE2 LYS A 8 -11.865 -0.106 8.786 1.00 13.15 H new ATOM 0 HE3 LYS A 8 -10.229 -0.170 9.411 1.00 13.15 H new ATOM 0 HZ1 LYS A 8 -10.875 2.081 8.874 1.00 52.24 H new ATOM 0 HZ2 LYS A 8 -9.599 1.589 7.867 1.00 52.24 H new ATOM 0 HZ3 LYS A 8 -11.184 1.651 7.261 1.00 52.24 H new ATOM 127 N ARG A 9 -8.932 -4.616 4.145 1.00 13.35 N ATOM 128 CA ARG A 9 -8.504 -5.935 3.605 1.00 44.32 C ATOM 129 C ARG A 9 -8.137 -5.830 2.107 1.00 52.11 C ATOM 130 O ARG A 9 -7.128 -6.384 1.668 1.00 70.21 O ATOM 131 CB ARG A 9 -9.635 -6.991 3.796 1.00 43.15 C ATOM 132 CG ARG A 9 -9.959 -7.324 5.269 1.00 52.31 C ATOM 133 CD ARG A 9 -11.217 -8.195 5.429 1.00 30.25 C ATOM 134 NE ARG A 9 -11.143 -9.466 4.683 1.00 12.53 N ATOM 135 CZ ARG A 9 -12.206 -10.184 4.262 1.00 31.22 C ATOM 136 NH1 ARG A 9 -13.455 -9.774 4.504 1.00 44.24 N ATOM 137 NH2 ARG A 9 -12.012 -11.319 3.603 1.00 30.42 N ATOM 0 H ARG A 9 -9.847 -4.641 4.594 1.00 13.35 H new ATOM 0 HA ARG A 9 -7.619 -6.251 4.157 1.00 44.32 H new ATOM 0 HB2 ARG A 9 -10.541 -6.626 3.312 1.00 43.15 H new ATOM 0 HB3 ARG A 9 -9.347 -7.909 3.284 1.00 43.15 H new ATOM 0 HG2 ARG A 9 -9.108 -7.840 5.714 1.00 52.31 H new ATOM 0 HG3 ARG A 9 -10.094 -6.396 5.824 1.00 52.31 H new ATOM 0 HD2 ARG A 9 -11.370 -8.410 6.487 1.00 30.25 H new ATOM 0 HD3 ARG A 9 -12.086 -7.632 5.089 1.00 30.25 H new ATOM 0 HE ARG A 9 -10.215 -9.831 4.468 1.00 12.53 H new ATOM 0 HH11 ARG A 9 -13.617 -8.906 5.014 1.00 44.24 H new ATOM 0 HH12 ARG A 9 -14.246 -10.329 4.178 1.00 44.24 H new ATOM 0 HH21 ARG A 9 -11.064 -11.645 3.417 1.00 30.42 H new ATOM 0 HH22 ARG A 9 -12.811 -11.866 3.283 1.00 30.42 H new ATOM 151 N GLN A 10 -8.966 -5.079 1.357 1.00 34.23 N ATOM 152 CA GLN A 10 -8.794 -4.867 -0.090 1.00 41.04 C ATOM 153 C GLN A 10 -7.581 -3.965 -0.383 1.00 44.41 C ATOM 154 O GLN A 10 -6.694 -4.351 -1.137 1.00 14.55 O ATOM 155 CB GLN A 10 -10.087 -4.252 -0.695 1.00 5.03 C ATOM 156 CG GLN A 10 -11.339 -5.127 -0.515 1.00 61.31 C ATOM 157 CD GLN A 10 -12.594 -4.497 -1.111 1.00 74.04 C ATOM 158 OE1 GLN A 10 -13.304 -3.716 -0.321 1.00 35.12 O flip ATOM 159 NE2 GLN A 10 -12.920 -4.715 -2.278 1.00 13.42 N flip ATOM 0 H GLN A 10 -9.779 -4.600 1.743 1.00 34.23 H new ATOM 0 HA GLN A 10 -8.608 -5.835 -0.556 1.00 41.04 H new ATOM 0 HB2 GLN A 10 -10.266 -3.281 -0.233 1.00 5.03 H new ATOM 0 HB3 GLN A 10 -9.930 -4.075 -1.759 1.00 5.03 H new ATOM 0 HG2 GLN A 10 -11.168 -6.097 -0.982 1.00 61.31 H new ATOM 0 HG3 GLN A 10 -11.499 -5.309 0.548 1.00 61.31 H new ATOM 0 HE21 GLN A 10 -12.348 -5.325 -2.862 1.00 13.42 H new ATOM 0 HE22 GLN A 10 -13.762 -4.286 -2.661 1.00 13.42 H new ATOM 168 N VAL A 11 -7.547 -2.788 0.271 1.00 23.43 N ATOM 169 CA VAL A 11 -6.561 -1.715 -0.003 1.00 74.12 C ATOM 170 C VAL A 11 -5.124 -2.148 0.334 1.00 23.04 C ATOM 171 O VAL A 11 -4.212 -1.909 -0.456 1.00 3.33 O ATOM 172 CB VAL A 11 -6.934 -0.409 0.796 1.00 2.42 C ATOM 173 CG1 VAL A 11 -5.884 0.708 0.621 1.00 73.12 C ATOM 174 CG2 VAL A 11 -8.319 0.096 0.367 1.00 73.42 C ATOM 0 H VAL A 11 -8.207 -2.549 1.011 1.00 23.43 H new ATOM 0 HA VAL A 11 -6.599 -1.508 -1.072 1.00 74.12 H new ATOM 0 HB VAL A 11 -6.952 -0.672 1.854 1.00 2.42 H new ATOM 0 HG11 VAL A 11 -6.188 1.586 1.191 1.00 73.12 H new ATOM 0 HG12 VAL A 11 -4.917 0.358 0.982 1.00 73.12 H new ATOM 0 HG13 VAL A 11 -5.804 0.971 -0.434 1.00 73.12 H new ATOM 0 HG21 VAL A 11 -8.566 0.999 0.926 1.00 73.42 H new ATOM 0 HG22 VAL A 11 -8.310 0.320 -0.700 1.00 73.42 H new ATOM 0 HG23 VAL A 11 -9.065 -0.672 0.570 1.00 73.42 H new ATOM 184 N LYS A 12 -4.951 -2.786 1.503 1.00 41.54 N ATOM 185 CA LYS A 12 -3.633 -3.255 1.979 1.00 42.55 C ATOM 186 C LYS A 12 -3.117 -4.408 1.102 1.00 23.33 C ATOM 187 O LYS A 12 -1.905 -4.556 0.925 1.00 64.52 O ATOM 188 CB LYS A 12 -3.711 -3.704 3.455 1.00 42.13 C ATOM 189 CG LYS A 12 -4.186 -2.608 4.440 1.00 4.32 C ATOM 190 CD LYS A 12 -4.272 -3.119 5.899 1.00 1.44 C ATOM 191 CE LYS A 12 -5.210 -4.332 6.068 1.00 1.43 C ATOM 192 NZ LYS A 12 -5.270 -4.795 7.480 1.00 21.10 N ATOM 0 H LYS A 12 -5.716 -2.992 2.145 1.00 41.54 H new ATOM 0 HA LYS A 12 -2.934 -2.422 1.906 1.00 42.55 H new ATOM 0 HB2 LYS A 12 -4.388 -4.556 3.526 1.00 42.13 H new ATOM 0 HB3 LYS A 12 -2.726 -4.052 3.767 1.00 42.13 H new ATOM 0 HG2 LYS A 12 -3.501 -1.762 4.395 1.00 4.32 H new ATOM 0 HG3 LYS A 12 -5.165 -2.243 4.128 1.00 4.32 H new ATOM 0 HD2 LYS A 12 -3.273 -3.391 6.241 1.00 1.44 H new ATOM 0 HD3 LYS A 12 -4.619 -2.309 6.540 1.00 1.44 H new ATOM 0 HE2 LYS A 12 -6.212 -4.066 5.730 1.00 1.43 H new ATOM 0 HE3 LYS A 12 -4.866 -5.148 5.433 1.00 1.43 H new ATOM 0 HZ1 LYS A 12 -5.911 -5.611 7.551 1.00 21.10 H new ATOM 0 HZ2 LYS A 12 -4.319 -5.073 7.795 1.00 21.10 H new ATOM 0 HZ3 LYS A 12 -5.623 -4.025 8.083 1.00 21.10 H new ATOM 206 N GLN A 13 -4.059 -5.217 0.566 1.00 2.04 N ATOM 207 CA GLN A 13 -3.735 -6.315 -0.363 1.00 3.20 C ATOM 208 C GLN A 13 -3.259 -5.742 -1.712 1.00 24.14 C ATOM 209 O GLN A 13 -2.247 -6.176 -2.241 1.00 40.15 O ATOM 210 CB GLN A 13 -4.956 -7.246 -0.567 1.00 71.24 C ATOM 211 CG GLN A 13 -4.727 -8.412 -1.556 1.00 11.51 C ATOM 212 CD GLN A 13 -5.953 -9.300 -1.791 1.00 12.45 C ATOM 213 OE1 GLN A 13 -7.152 -8.724 -1.751 1.00 30.14 O flip ATOM 214 NE2 GLN A 13 -5.820 -10.501 -2.040 1.00 62.31 N flip ATOM 0 H GLN A 13 -5.055 -5.126 0.765 1.00 2.04 H new ATOM 0 HA GLN A 13 -2.930 -6.908 0.071 1.00 3.20 H new ATOM 0 HB2 GLN A 13 -5.245 -7.660 0.399 1.00 71.24 H new ATOM 0 HB3 GLN A 13 -5.796 -6.648 -0.921 1.00 71.24 H new ATOM 0 HG2 GLN A 13 -4.404 -8.001 -2.513 1.00 11.51 H new ATOM 0 HG3 GLN A 13 -3.912 -9.032 -1.183 1.00 11.51 H new ATOM 0 HE21 GLN A 13 -4.889 -10.917 -2.064 1.00 62.31 H new ATOM 0 HE22 GLN A 13 -6.641 -11.078 -2.222 1.00 62.31 H new ATOM 223 N VAL A 14 -3.992 -4.744 -2.241 1.00 2.23 N ATOM 224 CA VAL A 14 -3.612 -4.035 -3.482 1.00 34.54 C ATOM 225 C VAL A 14 -2.222 -3.394 -3.307 1.00 61.10 C ATOM 226 O VAL A 14 -1.340 -3.574 -4.141 1.00 1.44 O ATOM 227 CB VAL A 14 -4.695 -2.944 -3.866 1.00 45.50 C ATOM 228 CG1 VAL A 14 -4.251 -2.074 -5.068 1.00 35.23 C ATOM 229 CG2 VAL A 14 -6.065 -3.609 -4.158 1.00 21.33 C ATOM 0 H VAL A 14 -4.860 -4.406 -1.824 1.00 2.23 H new ATOM 0 HA VAL A 14 -3.568 -4.755 -4.300 1.00 34.54 H new ATOM 0 HB VAL A 14 -4.798 -2.282 -3.006 1.00 45.50 H new ATOM 0 HG11 VAL A 14 -5.026 -1.341 -5.293 1.00 35.23 H new ATOM 0 HG12 VAL A 14 -3.324 -1.557 -4.820 1.00 35.23 H new ATOM 0 HG13 VAL A 14 -4.090 -2.711 -5.938 1.00 35.23 H new ATOM 0 HG21 VAL A 14 -6.794 -2.842 -4.419 1.00 21.33 H new ATOM 0 HG22 VAL A 14 -5.961 -4.308 -4.988 1.00 21.33 H new ATOM 0 HG23 VAL A 14 -6.405 -4.145 -3.272 1.00 21.33 H new ATOM 239 N ALA A 15 -2.044 -2.748 -2.146 1.00 71.02 N ATOM 240 CA ALA A 15 -0.830 -2.005 -1.782 1.00 33.20 C ATOM 241 C ALA A 15 0.413 -2.918 -1.758 1.00 24.42 C ATOM 242 O ALA A 15 1.443 -2.588 -2.362 1.00 62.11 O ATOM 243 CB ALA A 15 -1.044 -1.326 -0.415 1.00 43.21 C ATOM 0 H ALA A 15 -2.757 -2.727 -1.417 1.00 71.02 H new ATOM 0 HA ALA A 15 -0.645 -1.244 -2.540 1.00 33.20 H new ATOM 0 HB1 ALA A 15 -0.146 -0.773 -0.139 1.00 43.21 H new ATOM 0 HB2 ALA A 15 -1.888 -0.640 -0.478 1.00 43.21 H new ATOM 0 HB3 ALA A 15 -1.249 -2.085 0.340 1.00 43.21 H new ATOM 249 N LYS A 16 0.282 -4.080 -1.082 1.00 4.32 N ATOM 250 CA LYS A 16 1.388 -5.037 -0.941 1.00 1.33 C ATOM 251 C LYS A 16 1.730 -5.663 -2.295 1.00 23.21 C ATOM 252 O LYS A 16 2.906 -5.770 -2.631 1.00 54.31 O ATOM 253 CB LYS A 16 1.087 -6.130 0.121 1.00 75.21 C ATOM 254 CG LYS A 16 -0.051 -7.113 -0.236 1.00 4.01 C ATOM 255 CD LYS A 16 -0.125 -8.348 0.690 1.00 30.42 C ATOM 256 CE LYS A 16 1.105 -9.265 0.535 1.00 52.45 C ATOM 257 NZ LYS A 16 0.938 -10.553 1.253 1.00 14.20 N ATOM 0 H LYS A 16 -0.582 -4.373 -0.627 1.00 4.32 H new ATOM 0 HA LYS A 16 2.256 -4.483 -0.584 1.00 1.33 H new ATOM 0 HB2 LYS A 16 1.998 -6.704 0.294 1.00 75.21 H new ATOM 0 HB3 LYS A 16 0.837 -5.639 1.061 1.00 75.21 H new ATOM 0 HG2 LYS A 16 -1.002 -6.583 -0.195 1.00 4.01 H new ATOM 0 HG3 LYS A 16 0.082 -7.449 -1.264 1.00 4.01 H new ATOM 0 HD2 LYS A 16 -0.203 -8.019 1.726 1.00 30.42 H new ATOM 0 HD3 LYS A 16 -1.029 -8.914 0.466 1.00 30.42 H new ATOM 0 HE2 LYS A 16 1.279 -9.461 -0.523 1.00 52.45 H new ATOM 0 HE3 LYS A 16 1.989 -8.752 0.914 1.00 52.45 H new ATOM 0 HZ1 LYS A 16 1.788 -11.137 1.121 1.00 14.20 H new ATOM 0 HZ2 LYS A 16 0.798 -10.370 2.267 1.00 14.20 H new ATOM 0 HZ3 LYS A 16 0.110 -11.057 0.875 1.00 14.20 H new ATOM 271 N GLU A 17 0.687 -6.031 -3.082 1.00 72.33 N ATOM 272 CA GLU A 17 0.875 -6.684 -4.386 1.00 24.43 C ATOM 273 C GLU A 17 1.601 -5.756 -5.366 1.00 71.21 C ATOM 274 O GLU A 17 2.391 -6.230 -6.170 1.00 74.21 O ATOM 275 CB GLU A 17 -0.468 -7.161 -5.003 1.00 21.50 C ATOM 276 CG GLU A 17 -1.187 -8.274 -4.213 1.00 71.00 C ATOM 277 CD GLU A 17 -0.290 -9.489 -3.888 1.00 51.41 C ATOM 278 OE1 GLU A 17 0.225 -10.136 -4.834 1.00 31.33 O ATOM 279 OE2 GLU A 17 -0.112 -9.815 -2.693 1.00 75.14 O ATOM 0 H GLU A 17 -0.290 -5.883 -2.829 1.00 72.33 H new ATOM 0 HA GLU A 17 1.491 -7.565 -4.208 1.00 24.43 H new ATOM 0 HB2 GLU A 17 -1.137 -6.305 -5.086 1.00 21.50 H new ATOM 0 HB3 GLU A 17 -0.279 -7.518 -6.015 1.00 21.50 H new ATOM 0 HG2 GLU A 17 -1.568 -7.857 -3.281 1.00 71.00 H new ATOM 0 HG3 GLU A 17 -2.049 -8.614 -4.786 1.00 71.00 H new ATOM 286 N LYS A 18 1.332 -4.435 -5.270 1.00 72.44 N ATOM 287 CA LYS A 18 2.010 -3.415 -6.097 1.00 64.43 C ATOM 288 C LYS A 18 3.513 -3.363 -5.787 1.00 11.12 C ATOM 289 O LYS A 18 4.336 -3.239 -6.694 1.00 0.20 O ATOM 290 CB LYS A 18 1.363 -2.014 -5.894 1.00 52.14 C ATOM 291 CG LYS A 18 -0.082 -1.900 -6.427 1.00 53.44 C ATOM 292 CD LYS A 18 -0.197 -2.252 -7.929 1.00 2.44 C ATOM 293 CE LYS A 18 -1.643 -2.490 -8.388 1.00 40.23 C ATOM 294 NZ LYS A 18 -1.671 -3.078 -9.752 1.00 30.33 N ATOM 0 H LYS A 18 0.645 -4.049 -4.623 1.00 72.44 H new ATOM 0 HA LYS A 18 1.888 -3.701 -7.142 1.00 64.43 H new ATOM 0 HB2 LYS A 18 1.366 -1.776 -4.830 1.00 52.14 H new ATOM 0 HB3 LYS A 18 1.981 -1.266 -6.390 1.00 52.14 H new ATOM 0 HG2 LYS A 18 -0.729 -2.563 -5.853 1.00 53.44 H new ATOM 0 HG3 LYS A 18 -0.444 -0.884 -6.268 1.00 53.44 H new ATOM 0 HD2 LYS A 18 0.236 -1.444 -8.519 1.00 2.44 H new ATOM 0 HD3 LYS A 18 0.393 -3.146 -8.132 1.00 2.44 H new ATOM 0 HE2 LYS A 18 -2.147 -3.157 -7.689 1.00 40.23 H new ATOM 0 HE3 LYS A 18 -2.192 -1.548 -8.381 1.00 40.23 H new ATOM 0 HZ1 LYS A 18 -2.635 -3.403 -9.970 1.00 30.33 H new ATOM 0 HZ2 LYS A 18 -1.382 -2.359 -10.446 1.00 30.33 H new ATOM 0 HZ3 LYS A 18 -1.016 -3.884 -9.796 1.00 30.33 H new ATOM 308 N LEU A 19 3.853 -3.463 -4.490 1.00 34.12 N ATOM 309 CA LEU A 19 5.257 -3.497 -4.029 1.00 11.12 C ATOM 310 C LEU A 19 5.941 -4.824 -4.415 1.00 53.55 C ATOM 311 O LEU A 19 7.155 -4.866 -4.640 1.00 30.12 O ATOM 312 CB LEU A 19 5.317 -3.268 -2.501 1.00 51.35 C ATOM 313 CG LEU A 19 4.677 -1.946 -1.995 1.00 12.12 C ATOM 314 CD1 LEU A 19 4.881 -1.763 -0.487 1.00 11.45 C ATOM 315 CD2 LEU A 19 5.198 -0.739 -2.782 1.00 22.11 C ATOM 0 H LEU A 19 3.170 -3.522 -3.735 1.00 34.12 H new ATOM 0 HA LEU A 19 5.802 -2.694 -4.525 1.00 11.12 H new ATOM 0 HB2 LEU A 19 4.821 -4.103 -2.007 1.00 51.35 H new ATOM 0 HB3 LEU A 19 6.361 -3.288 -2.189 1.00 51.35 H new ATOM 0 HG LEU A 19 3.603 -2.014 -2.170 1.00 12.12 H new ATOM 0 HD11 LEU A 19 4.420 -0.828 -0.168 1.00 11.45 H new ATOM 0 HD12 LEU A 19 4.420 -2.595 0.046 1.00 11.45 H new ATOM 0 HD13 LEU A 19 5.948 -1.736 -0.265 1.00 11.45 H new ATOM 0 HD21 LEU A 19 4.731 0.171 -2.404 1.00 22.11 H new ATOM 0 HD22 LEU A 19 6.279 -0.668 -2.665 1.00 22.11 H new ATOM 0 HD23 LEU A 19 4.954 -0.860 -3.838 1.00 22.11 H new ATOM 327 N LEU A 20 5.137 -5.898 -4.497 1.00 13.32 N ATOM 328 CA LEU A 20 5.590 -7.232 -4.937 1.00 44.13 C ATOM 329 C LEU A 20 5.732 -7.277 -6.479 1.00 14.13 C ATOM 330 O LEU A 20 6.470 -8.109 -7.016 1.00 44.43 O ATOM 331 CB LEU A 20 4.592 -8.311 -4.440 1.00 63.32 C ATOM 332 CG LEU A 20 4.462 -8.458 -2.890 1.00 20.14 C ATOM 333 CD1 LEU A 20 3.305 -9.397 -2.507 1.00 14.12 C ATOM 334 CD2 LEU A 20 5.783 -8.919 -2.253 1.00 40.22 C ATOM 0 H LEU A 20 4.146 -5.866 -4.258 1.00 13.32 H new ATOM 0 HA LEU A 20 6.570 -7.437 -4.507 1.00 44.13 H new ATOM 0 HB2 LEU A 20 3.607 -8.083 -4.848 1.00 63.32 H new ATOM 0 HB3 LEU A 20 4.893 -9.274 -4.853 1.00 63.32 H new ATOM 0 HG LEU A 20 4.231 -7.470 -2.492 1.00 20.14 H new ATOM 0 HD11 LEU A 20 3.244 -9.476 -1.422 1.00 14.12 H new ATOM 0 HD12 LEU A 20 2.368 -8.997 -2.895 1.00 14.12 H new ATOM 0 HD13 LEU A 20 3.482 -10.385 -2.933 1.00 14.12 H new ATOM 0 HD21 LEU A 20 5.655 -9.010 -1.174 1.00 40.22 H new ATOM 0 HD22 LEU A 20 6.069 -9.886 -2.667 1.00 40.22 H new ATOM 0 HD23 LEU A 20 6.564 -8.188 -2.465 1.00 40.22 H new ATOM 346 N GLU A 21 5.002 -6.383 -7.185 1.00 14.15 N ATOM 347 CA GLU A 21 5.141 -6.189 -8.646 1.00 13.11 C ATOM 348 C GLU A 21 6.444 -5.433 -8.942 1.00 22.32 C ATOM 349 O GLU A 21 7.153 -5.745 -9.905 1.00 11.05 O ATOM 350 CB GLU A 21 3.921 -5.418 -9.240 1.00 0.11 C ATOM 351 CG GLU A 21 2.612 -6.231 -9.303 1.00 62.32 C ATOM 352 CD GLU A 21 1.416 -5.420 -9.834 1.00 63.12 C ATOM 353 OE1 GLU A 21 1.496 -4.906 -10.972 1.00 75.35 O ATOM 354 OE2 GLU A 21 0.381 -5.315 -9.140 1.00 21.32 O ATOM 0 H GLU A 21 4.301 -5.777 -6.758 1.00 14.15 H new ATOM 0 HA GLU A 21 5.172 -7.170 -9.120 1.00 13.11 H new ATOM 0 HB2 GLU A 21 3.748 -4.523 -8.642 1.00 0.11 H new ATOM 0 HB3 GLU A 21 4.174 -5.085 -10.246 1.00 0.11 H new ATOM 0 HG2 GLU A 21 2.764 -7.102 -9.941 1.00 62.32 H new ATOM 0 HG3 GLU A 21 2.376 -6.604 -8.306 1.00 62.32 H new ATOM 361 N GLN A 22 6.753 -4.439 -8.085 1.00 10.04 N ATOM 362 CA GLN A 22 7.980 -3.630 -8.195 1.00 63.40 C ATOM 363 C GLN A 22 9.218 -4.429 -7.769 1.00 43.04 C ATOM 364 O GLN A 22 10.311 -4.204 -8.300 1.00 0.44 O ATOM 365 CB GLN A 22 7.866 -2.347 -7.334 1.00 23.23 C ATOM 366 CG GLN A 22 6.773 -1.365 -7.793 1.00 11.55 C ATOM 367 CD GLN A 22 6.703 -0.077 -6.965 1.00 63.42 C ATOM 368 OE1 GLN A 22 6.988 -0.159 -5.667 1.00 31.11 O flip ATOM 369 NE2 GLN A 22 6.364 0.994 -7.485 1.00 73.14 N flip ATOM 0 H GLN A 22 6.159 -4.176 -7.299 1.00 10.04 H new ATOM 0 HA GLN A 22 8.094 -3.351 -9.243 1.00 63.40 H new ATOM 0 HB2 GLN A 22 7.668 -2.634 -6.301 1.00 23.23 H new ATOM 0 HB3 GLN A 22 8.827 -1.832 -7.343 1.00 23.23 H new ATOM 0 HG2 GLN A 22 6.948 -1.104 -8.837 1.00 11.55 H new ATOM 0 HG3 GLN A 22 5.806 -1.867 -7.748 1.00 11.55 H new ATOM 0 HE21 GLN A 22 6.151 1.032 -8.482 1.00 73.14 H new ATOM 0 HE22 GLN A 22 6.298 1.838 -6.917 1.00 73.14 H new ATOM 378 N SER A 23 9.040 -5.366 -6.823 1.00 1.31 N ATOM 379 CA SER A 23 10.152 -6.149 -6.269 1.00 14.43 C ATOM 380 C SER A 23 9.637 -7.526 -5.746 1.00 52.11 C ATOM 381 O SER A 23 9.236 -7.640 -4.583 1.00 31.10 O ATOM 382 CB SER A 23 10.855 -5.342 -5.148 1.00 1.31 C ATOM 383 OG SER A 23 12.067 -5.956 -4.755 1.00 42.22 O ATOM 0 H SER A 23 8.130 -5.599 -6.425 1.00 1.31 H new ATOM 0 HA SER A 23 10.882 -6.347 -7.054 1.00 14.43 H new ATOM 0 HB2 SER A 23 11.055 -4.329 -5.497 1.00 1.31 H new ATOM 0 HB3 SER A 23 10.192 -5.258 -4.287 1.00 1.31 H new ATOM 0 HG SER A 23 12.041 -6.145 -3.794 1.00 42.22 H new ATOM 389 N PRO A 24 9.584 -8.576 -6.637 1.00 51.53 N ATOM 390 CA PRO A 24 9.125 -9.954 -6.270 1.00 12.43 C ATOM 391 C PRO A 24 10.066 -10.717 -5.307 1.00 21.20 C ATOM 392 O PRO A 24 9.658 -11.717 -4.709 1.00 63.23 O ATOM 393 CB PRO A 24 9.041 -10.676 -7.645 1.00 20.50 C ATOM 394 CG PRO A 24 10.003 -9.935 -8.523 1.00 63.22 C ATOM 395 CD PRO A 24 9.903 -8.486 -8.091 1.00 64.22 C ATOM 0 HA PRO A 24 8.186 -9.913 -5.717 1.00 12.43 H new ATOM 0 HB2 PRO A 24 9.314 -11.728 -7.557 1.00 20.50 H new ATOM 0 HB3 PRO A 24 8.029 -10.642 -8.049 1.00 20.50 H new ATOM 0 HG2 PRO A 24 11.018 -10.313 -8.401 1.00 63.22 H new ATOM 0 HG3 PRO A 24 9.744 -10.051 -9.576 1.00 63.22 H new ATOM 0 HD2 PRO A 24 10.836 -7.950 -8.264 1.00 64.22 H new ATOM 0 HD3 PRO A 24 9.125 -7.956 -8.640 1.00 64.22 H new ATOM 403 N ASN A 25 11.323 -10.256 -5.178 1.00 11.22 N ATOM 404 CA ASN A 25 12.315 -10.879 -4.263 1.00 24.31 C ATOM 405 C ASN A 25 12.089 -10.424 -2.809 1.00 51.41 C ATOM 406 O ASN A 25 12.564 -11.058 -1.863 1.00 64.33 O ATOM 407 CB ASN A 25 13.765 -10.538 -4.719 1.00 31.51 C ATOM 408 CG ASN A 25 14.877 -11.252 -3.926 1.00 24.11 C ATOM 409 OD1 ASN A 25 15.950 -10.690 -3.682 1.00 44.01 O ATOM 410 ND2 ASN A 25 14.658 -12.511 -3.558 1.00 22.31 N ATOM 0 H ASN A 25 11.683 -9.453 -5.694 1.00 11.22 H new ATOM 0 HA ASN A 25 12.180 -11.960 -4.304 1.00 24.31 H new ATOM 0 HB2 ASN A 25 13.869 -10.794 -5.773 1.00 31.51 H new ATOM 0 HB3 ASN A 25 13.913 -9.461 -4.636 1.00 31.51 H new ATOM 0 HD21 ASN A 25 15.383 -13.032 -3.064 1.00 22.31 H new ATOM 0 HD22 ASN A 25 13.765 -12.956 -3.769 1.00 22.31 H new ATOM 417 N SER A 26 11.340 -9.325 -2.646 1.00 34.42 N ATOM 418 CA SER A 26 11.063 -8.715 -1.340 1.00 53.42 C ATOM 419 C SER A 26 9.771 -9.266 -0.727 1.00 54.04 C ATOM 420 O SER A 26 8.834 -9.615 -1.449 1.00 13.43 O ATOM 421 CB SER A 26 10.937 -7.204 -1.522 1.00 73.41 C ATOM 422 OG SER A 26 12.098 -6.669 -2.116 1.00 52.42 O ATOM 0 H SER A 26 10.906 -8.830 -3.425 1.00 34.42 H new ATOM 0 HA SER A 26 11.883 -8.953 -0.662 1.00 53.42 H new ATOM 0 HB2 SER A 26 10.070 -6.980 -2.143 1.00 73.41 H new ATOM 0 HB3 SER A 26 10.767 -6.730 -0.555 1.00 73.41 H new ATOM 0 HG SER A 26 12.664 -6.267 -1.424 1.00 52.42 H new ATOM 428 N LYS A 27 9.735 -9.342 0.609 1.00 73.12 N ATOM 429 CA LYS A 27 8.527 -9.694 1.371 1.00 14.04 C ATOM 430 C LYS A 27 8.027 -8.443 2.103 1.00 71.51 C ATOM 431 O LYS A 27 8.744 -7.872 2.933 1.00 30.00 O ATOM 432 CB LYS A 27 8.806 -10.850 2.362 1.00 50.32 C ATOM 433 CG LYS A 27 7.599 -11.215 3.275 1.00 35.52 C ATOM 434 CD LYS A 27 7.806 -12.520 4.071 1.00 31.23 C ATOM 435 CE LYS A 27 7.862 -13.768 3.170 1.00 43.11 C ATOM 436 NZ LYS A 27 6.645 -13.896 2.311 1.00 4.31 N ATOM 0 H LYS A 27 10.548 -9.160 1.197 1.00 73.12 H new ATOM 0 HA LYS A 27 7.756 -10.046 0.686 1.00 14.04 H new ATOM 0 HB2 LYS A 27 9.100 -11.735 1.797 1.00 50.32 H new ATOM 0 HB3 LYS A 27 9.653 -10.577 2.991 1.00 50.32 H new ATOM 0 HG2 LYS A 27 7.420 -10.397 3.973 1.00 35.52 H new ATOM 0 HG3 LYS A 27 6.704 -11.311 2.660 1.00 35.52 H new ATOM 0 HD2 LYS A 27 8.732 -12.448 4.642 1.00 31.23 H new ATOM 0 HD3 LYS A 27 6.995 -12.633 4.791 1.00 31.23 H new ATOM 0 HE2 LYS A 27 8.748 -13.718 2.537 1.00 43.11 H new ATOM 0 HE3 LYS A 27 7.963 -14.658 3.791 1.00 43.11 H new ATOM 0 HZ1 LYS A 27 6.616 -14.846 1.889 1.00 4.31 H new ATOM 0 HZ2 LYS A 27 5.794 -13.749 2.890 1.00 4.31 H new ATOM 0 HZ3 LYS A 27 6.677 -13.182 1.555 1.00 4.31 H new ATOM 450 N VAL A 28 6.798 -8.023 1.772 1.00 1.44 N ATOM 451 CA VAL A 28 6.180 -6.796 2.294 1.00 41.24 C ATOM 452 C VAL A 28 5.197 -7.136 3.435 1.00 74.14 C ATOM 453 O VAL A 28 4.525 -8.171 3.391 1.00 71.35 O ATOM 454 CB VAL A 28 5.414 -6.033 1.149 1.00 51.45 C ATOM 455 CG1 VAL A 28 4.877 -4.674 1.642 1.00 1.02 C ATOM 456 CG2 VAL A 28 6.318 -5.861 -0.093 1.00 4.40 C ATOM 0 H VAL A 28 6.197 -8.533 1.125 1.00 1.44 H new ATOM 0 HA VAL A 28 6.971 -6.154 2.681 1.00 41.24 H new ATOM 0 HB VAL A 28 4.554 -6.637 0.860 1.00 51.45 H new ATOM 0 HG11 VAL A 28 4.354 -4.173 0.828 1.00 1.02 H new ATOM 0 HG12 VAL A 28 4.189 -4.834 2.472 1.00 1.02 H new ATOM 0 HG13 VAL A 28 5.709 -4.053 1.975 1.00 1.02 H new ATOM 0 HG21 VAL A 28 5.769 -5.332 -0.872 1.00 4.40 H new ATOM 0 HG22 VAL A 28 7.205 -5.289 0.179 1.00 4.40 H new ATOM 0 HG23 VAL A 28 6.618 -6.841 -0.463 1.00 4.40 H new ATOM 466 N GLN A 29 5.138 -6.255 4.444 1.00 70.35 N ATOM 467 CA GLN A 29 4.165 -6.317 5.542 1.00 65.25 C ATOM 468 C GLN A 29 3.556 -4.919 5.733 1.00 34.22 C ATOM 469 O GLN A 29 4.226 -3.917 5.480 1.00 3.23 O ATOM 470 CB GLN A 29 4.867 -6.811 6.840 1.00 33.42 C ATOM 471 CG GLN A 29 3.949 -6.962 8.075 1.00 42.24 C ATOM 472 CD GLN A 29 2.786 -7.935 7.847 1.00 1.45 C ATOM 473 OE1 GLN A 29 1.689 -7.537 7.434 1.00 1.25 O ATOM 474 NE2 GLN A 29 3.017 -9.216 8.090 1.00 33.33 N ATOM 0 H GLN A 29 5.778 -5.464 4.520 1.00 70.35 H new ATOM 0 HA GLN A 29 3.368 -7.022 5.308 1.00 65.25 H new ATOM 0 HB2 GLN A 29 5.334 -7.774 6.636 1.00 33.42 H new ATOM 0 HB3 GLN A 29 5.668 -6.114 7.087 1.00 33.42 H new ATOM 0 HG2 GLN A 29 4.543 -7.308 8.921 1.00 42.24 H new ATOM 0 HG3 GLN A 29 3.549 -5.984 8.344 1.00 42.24 H new ATOM 0 HE21 GLN A 29 3.931 -9.514 8.430 1.00 33.33 H new ATOM 0 HE22 GLN A 29 2.280 -9.905 7.937 1.00 33.33 H new ATOM 483 N VAL A 30 2.280 -4.855 6.152 1.00 74.33 N ATOM 484 CA VAL A 30 1.588 -3.583 6.439 1.00 23.14 C ATOM 485 C VAL A 30 2.220 -2.906 7.672 1.00 55.11 C ATOM 486 O VAL A 30 2.513 -3.580 8.667 1.00 24.45 O ATOM 487 CB VAL A 30 0.053 -3.815 6.678 1.00 64.22 C ATOM 488 CG1 VAL A 30 -0.694 -2.489 6.967 1.00 0.51 C ATOM 489 CG2 VAL A 30 -0.574 -4.565 5.478 1.00 52.04 C ATOM 0 H VAL A 30 1.699 -5.680 6.301 1.00 74.33 H new ATOM 0 HA VAL A 30 1.701 -2.931 5.573 1.00 23.14 H new ATOM 0 HB VAL A 30 -0.055 -4.437 7.566 1.00 64.22 H new ATOM 0 HG11 VAL A 30 -1.752 -2.695 7.126 1.00 0.51 H new ATOM 0 HG12 VAL A 30 -0.277 -2.023 7.860 1.00 0.51 H new ATOM 0 HG13 VAL A 30 -0.579 -1.814 6.119 1.00 0.51 H new ATOM 0 HG21 VAL A 30 -1.638 -4.718 5.660 1.00 52.04 H new ATOM 0 HG22 VAL A 30 -0.442 -3.975 4.571 1.00 52.04 H new ATOM 0 HG23 VAL A 30 -0.084 -5.531 5.357 1.00 52.04 H new ATOM 499 N ARG A 31 2.425 -1.584 7.599 1.00 10.25 N ATOM 500 CA ARG A 31 3.139 -0.835 8.653 1.00 70.22 C ATOM 501 C ARG A 31 2.204 0.181 9.337 1.00 64.30 C ATOM 502 O ARG A 31 2.260 0.356 10.560 1.00 2.22 O ATOM 503 CB ARG A 31 4.387 -0.132 8.042 1.00 65.12 C ATOM 504 CG ARG A 31 5.439 0.379 9.056 1.00 40.33 C ATOM 505 CD ARG A 31 6.019 -0.757 9.925 1.00 50.20 C ATOM 506 NE ARG A 31 7.170 -0.309 10.730 1.00 73.41 N ATOM 507 CZ ARG A 31 7.198 -0.207 12.069 1.00 44.31 C ATOM 508 NH1 ARG A 31 6.138 -0.524 12.813 1.00 24.44 N ATOM 509 NH2 ARG A 31 8.308 0.193 12.660 1.00 1.34 N ATOM 0 H ARG A 31 2.107 -1.006 6.821 1.00 10.25 H new ATOM 0 HA ARG A 31 3.473 -1.534 9.420 1.00 70.22 H new ATOM 0 HB2 ARG A 31 4.876 -0.829 7.361 1.00 65.12 H new ATOM 0 HB3 ARG A 31 4.047 0.713 7.443 1.00 65.12 H new ATOM 0 HG2 ARG A 31 6.249 0.871 8.518 1.00 40.33 H new ATOM 0 HG3 ARG A 31 4.983 1.130 9.701 1.00 40.33 H new ATOM 0 HD2 ARG A 31 5.242 -1.139 10.587 1.00 50.20 H new ATOM 0 HD3 ARG A 31 6.326 -1.583 9.283 1.00 50.20 H new ATOM 0 HE ARG A 31 8.019 -0.054 10.226 1.00 73.41 H new ATOM 0 HH11 ARG A 31 5.282 -0.852 12.367 1.00 24.44 H new ATOM 0 HH12 ARG A 31 6.184 -0.438 13.828 1.00 24.44 H new ATOM 0 HH21 ARG A 31 9.130 0.420 12.101 1.00 1.34 H new ATOM 0 HH22 ARG A 31 8.344 0.275 13.676 1.00 1.34 H new ATOM 523 N ARG A 32 1.340 0.837 8.536 1.00 3.21 N ATOM 524 CA ARG A 32 0.465 1.928 9.010 1.00 14.13 C ATOM 525 C ARG A 32 -0.587 2.224 7.918 1.00 50.23 C ATOM 526 O ARG A 32 -0.290 2.092 6.737 1.00 22.05 O ATOM 527 CB ARG A 32 1.356 3.175 9.347 1.00 52.41 C ATOM 528 CG ARG A 32 0.732 4.300 10.223 1.00 13.42 C ATOM 529 CD ARG A 32 -0.172 5.294 9.464 1.00 53.33 C ATOM 530 NE ARG A 32 -0.199 6.616 10.117 1.00 34.15 N ATOM 531 CZ ARG A 32 0.137 7.767 9.528 1.00 54.30 C ATOM 532 NH1 ARG A 32 0.515 7.812 8.253 1.00 3.22 N ATOM 533 NH2 ARG A 32 0.046 8.884 10.206 1.00 11.03 N ATOM 0 H ARG A 32 1.229 0.626 7.544 1.00 3.21 H new ATOM 0 HA ARG A 32 -0.071 1.652 9.918 1.00 14.13 H new ATOM 0 HB2 ARG A 32 2.254 2.818 9.851 1.00 52.41 H new ATOM 0 HB3 ARG A 32 1.675 3.622 8.406 1.00 52.41 H new ATOM 0 HG2 ARG A 32 0.149 3.838 11.020 1.00 13.42 H new ATOM 0 HG3 ARG A 32 1.538 4.857 10.700 1.00 13.42 H new ATOM 0 HD2 ARG A 32 0.185 5.401 8.440 1.00 53.33 H new ATOM 0 HD3 ARG A 32 -1.185 4.895 9.408 1.00 53.33 H new ATOM 0 HE ARG A 32 -0.497 6.654 11.092 1.00 34.15 H new ATOM 0 HH11 ARG A 32 0.553 6.955 7.702 1.00 3.22 H new ATOM 0 HH12 ARG A 32 0.767 8.704 7.827 1.00 3.22 H new ATOM 0 HH21 ARG A 32 -0.279 8.869 11.173 1.00 11.03 H new ATOM 0 HH22 ARG A 32 0.300 9.769 9.767 1.00 11.03 H new ATOM 547 N VAL A 33 -1.826 2.572 8.321 1.00 54.40 N ATOM 548 CA VAL A 33 -2.947 2.869 7.380 1.00 65.22 C ATOM 549 C VAL A 33 -3.671 4.145 7.855 1.00 52.33 C ATOM 550 O VAL A 33 -3.868 4.322 9.064 1.00 51.44 O ATOM 551 CB VAL A 33 -3.978 1.666 7.303 1.00 31.01 C ATOM 552 CG1 VAL A 33 -5.163 1.964 6.356 1.00 50.22 C ATOM 553 CG2 VAL A 33 -3.277 0.355 6.889 1.00 1.40 C ATOM 0 H VAL A 33 -2.086 2.657 9.303 1.00 54.40 H new ATOM 0 HA VAL A 33 -2.533 3.015 6.382 1.00 65.22 H new ATOM 0 HB VAL A 33 -4.385 1.543 8.307 1.00 31.01 H new ATOM 0 HG11 VAL A 33 -5.839 1.109 6.339 1.00 50.22 H new ATOM 0 HG12 VAL A 33 -5.700 2.844 6.710 1.00 50.22 H new ATOM 0 HG13 VAL A 33 -4.787 2.149 5.350 1.00 50.22 H new ATOM 0 HG21 VAL A 33 -4.009 -0.451 6.845 1.00 1.40 H new ATOM 0 HG22 VAL A 33 -2.818 0.482 5.909 1.00 1.40 H new ATOM 0 HG23 VAL A 33 -2.508 0.107 7.621 1.00 1.40 H new ATOM 563 N GLN A 34 -4.057 5.030 6.908 1.00 32.13 N ATOM 564 CA GLN A 34 -4.801 6.276 7.197 1.00 35.32 C ATOM 565 C GLN A 34 -5.948 6.464 6.203 1.00 4.34 C ATOM 566 O GLN A 34 -5.713 6.672 5.011 1.00 2.30 O ATOM 567 CB GLN A 34 -3.854 7.517 7.156 1.00 72.11 C ATOM 568 CG GLN A 34 -3.064 7.756 8.445 1.00 33.12 C ATOM 569 CD GLN A 34 -3.959 8.086 9.640 1.00 44.14 C ATOM 570 OE1 GLN A 34 -4.392 7.205 10.381 1.00 32.10 O ATOM 571 NE2 GLN A 34 -4.262 9.360 9.827 1.00 73.21 N ATOM 0 H GLN A 34 -3.860 4.898 5.916 1.00 32.13 H new ATOM 0 HA GLN A 34 -5.215 6.189 8.202 1.00 35.32 H new ATOM 0 HB2 GLN A 34 -3.151 7.395 6.332 1.00 72.11 H new ATOM 0 HB3 GLN A 34 -4.448 8.405 6.939 1.00 72.11 H new ATOM 0 HG2 GLN A 34 -2.474 6.868 8.674 1.00 33.12 H new ATOM 0 HG3 GLN A 34 -2.361 8.574 8.288 1.00 33.12 H new ATOM 0 HE21 GLN A 34 -3.889 10.071 9.197 1.00 73.21 H new ATOM 0 HE22 GLN A 34 -4.868 9.632 10.601 1.00 73.21 H new ATOM 580 N LYS A 35 -7.187 6.393 6.703 1.00 41.31 N ATOM 581 CA LYS A 35 -8.397 6.697 5.931 1.00 71.33 C ATOM 582 C LYS A 35 -8.594 8.230 5.904 1.00 51.12 C ATOM 583 O LYS A 35 -8.897 8.835 6.936 1.00 41.11 O ATOM 584 CB LYS A 35 -9.612 5.989 6.587 1.00 64.33 C ATOM 585 CG LYS A 35 -10.958 6.179 5.850 1.00 31.42 C ATOM 586 CD LYS A 35 -10.971 5.488 4.472 1.00 2.15 C ATOM 587 CE LYS A 35 -12.282 5.679 3.700 1.00 3.13 C ATOM 588 NZ LYS A 35 -13.441 5.164 4.446 1.00 32.33 N ATOM 0 H LYS A 35 -7.380 6.120 7.667 1.00 41.31 H new ATOM 0 HA LYS A 35 -8.303 6.336 4.907 1.00 71.33 H new ATOM 0 HB2 LYS A 35 -9.399 4.922 6.653 1.00 64.33 H new ATOM 0 HB3 LYS A 35 -9.719 6.356 7.608 1.00 64.33 H new ATOM 0 HG2 LYS A 35 -11.765 5.778 6.463 1.00 31.42 H new ATOM 0 HG3 LYS A 35 -11.153 7.244 5.722 1.00 31.42 H new ATOM 0 HD2 LYS A 35 -10.147 5.876 3.873 1.00 2.15 H new ATOM 0 HD3 LYS A 35 -10.792 4.422 4.608 1.00 2.15 H new ATOM 0 HE2 LYS A 35 -12.428 6.739 3.490 1.00 3.13 H new ATOM 0 HE3 LYS A 35 -12.214 5.170 2.739 1.00 3.13 H new ATOM 0 HZ1 LYS A 35 -14.287 5.204 3.843 1.00 32.33 H new ATOM 0 HZ2 LYS A 35 -13.263 4.179 4.728 1.00 32.33 H new ATOM 0 HZ3 LYS A 35 -13.593 5.745 5.295 1.00 32.33 H new ATOM 602 N GLN A 36 -8.348 8.856 4.737 1.00 60.31 N ATOM 603 CA GLN A 36 -8.490 10.318 4.546 1.00 54.14 C ATOM 604 C GLN A 36 -9.499 10.571 3.414 1.00 4.10 C ATOM 605 O GLN A 36 -9.116 10.776 2.253 1.00 11.31 O ATOM 606 CB GLN A 36 -7.121 10.965 4.196 1.00 62.23 C ATOM 607 CG GLN A 36 -5.925 10.548 5.068 1.00 23.02 C ATOM 608 CD GLN A 36 -4.605 11.210 4.644 1.00 21.21 C ATOM 609 OE1 GLN A 36 -4.437 11.488 3.351 1.00 71.24 O flip ATOM 610 NE2 GLN A 36 -3.720 11.454 5.468 1.00 3.42 N flip ATOM 0 H GLN A 36 -8.044 8.364 3.897 1.00 60.31 H new ATOM 0 HA GLN A 36 -8.846 10.770 5.472 1.00 54.14 H new ATOM 0 HB2 GLN A 36 -6.886 10.728 3.158 1.00 62.23 H new ATOM 0 HB3 GLN A 36 -7.229 12.048 4.259 1.00 62.23 H new ATOM 0 HG2 GLN A 36 -6.135 10.804 6.107 1.00 23.02 H new ATOM 0 HG3 GLN A 36 -5.811 9.465 5.023 1.00 23.02 H new ATOM 0 HE21 GLN A 36 -3.866 11.235 6.453 1.00 3.42 H new ATOM 0 HE22 GLN A 36 -2.842 11.875 5.164 1.00 3.42 H new ATOM 619 N GLY A 37 -10.791 10.519 3.759 1.00 2.05 N ATOM 620 CA GLY A 37 -11.867 10.604 2.774 1.00 31.24 C ATOM 621 C GLY A 37 -11.840 9.420 1.812 1.00 23.21 C ATOM 622 O GLY A 37 -11.825 8.280 2.254 1.00 44.12 O ATOM 0 H GLY A 37 -11.115 10.418 4.721 1.00 2.05 H new ATOM 0 HA2 GLY A 37 -12.829 10.636 3.286 1.00 31.24 H new ATOM 0 HA3 GLY A 37 -11.774 11.533 2.212 1.00 31.24 H new ATOM 626 N ASN A 38 -11.801 9.690 0.495 1.00 51.32 N ATOM 627 CA ASN A 38 -11.659 8.632 -0.540 1.00 14.14 C ATOM 628 C ASN A 38 -10.239 8.025 -0.527 1.00 74.45 C ATOM 629 O ASN A 38 -10.061 6.840 -0.832 1.00 63.32 O ATOM 630 CB ASN A 38 -11.983 9.189 -1.965 1.00 43.31 C ATOM 631 CG ASN A 38 -13.464 9.513 -2.181 1.00 25.02 C ATOM 632 OD1 ASN A 38 -14.190 9.875 -1.257 1.00 51.41 O ATOM 633 ND2 ASN A 38 -13.930 9.374 -3.413 1.00 32.12 N ATOM 0 H ASN A 38 -11.866 10.634 0.114 1.00 51.32 H new ATOM 0 HA ASN A 38 -12.376 7.847 -0.300 1.00 14.14 H new ATOM 0 HB2 ASN A 38 -11.395 10.091 -2.134 1.00 43.31 H new ATOM 0 HB3 ASN A 38 -11.668 8.459 -2.710 1.00 43.31 H new ATOM 0 HD21 ASN A 38 -14.911 9.569 -3.612 1.00 32.12 H new ATOM 0 HD22 ASN A 38 -13.308 9.072 -4.163 1.00 32.12 H new ATOM 640 N THR A 39 -9.243 8.839 -0.149 1.00 21.12 N ATOM 641 CA THR A 39 -7.821 8.495 -0.296 1.00 61.42 C ATOM 642 C THR A 39 -7.244 7.873 0.997 1.00 42.54 C ATOM 643 O THR A 39 -7.093 8.551 2.016 1.00 1.01 O ATOM 644 CB THR A 39 -6.999 9.759 -0.698 1.00 73.43 C ATOM 645 OG1 THR A 39 -7.624 10.394 -1.835 1.00 65.14 O ATOM 646 CG2 THR A 39 -5.527 9.423 -1.034 1.00 20.13 C ATOM 0 H THR A 39 -9.401 9.756 0.268 1.00 21.12 H new ATOM 0 HA THR A 39 -7.743 7.748 -1.086 1.00 61.42 H new ATOM 0 HB THR A 39 -6.990 10.433 0.159 1.00 73.43 H new ATOM 0 HG1 THR A 39 -7.111 11.189 -2.089 1.00 65.14 H new ATOM 0 HG21 THR A 39 -4.999 10.336 -1.307 1.00 20.13 H new ATOM 0 HG22 THR A 39 -5.049 8.974 -0.164 1.00 20.13 H new ATOM 0 HG23 THR A 39 -5.495 8.722 -1.868 1.00 20.13 H new ATOM 654 N ILE A 40 -6.941 6.572 0.938 1.00 23.14 N ATOM 655 CA ILE A 40 -6.285 5.836 2.026 1.00 61.33 C ATOM 656 C ILE A 40 -4.761 5.773 1.793 1.00 73.20 C ATOM 657 O ILE A 40 -4.308 5.138 0.839 1.00 13.15 O ATOM 658 CB ILE A 40 -6.858 4.380 2.150 1.00 42.43 C ATOM 659 CG1 ILE A 40 -8.401 4.429 2.304 1.00 13.43 C ATOM 660 CG2 ILE A 40 -6.203 3.620 3.327 1.00 12.31 C ATOM 661 CD1 ILE A 40 -9.080 3.083 2.480 1.00 60.00 C ATOM 0 H ILE A 40 -7.147 5.993 0.124 1.00 23.14 H new ATOM 0 HA ILE A 40 -6.486 6.370 2.955 1.00 61.33 H new ATOM 0 HB ILE A 40 -6.618 3.834 1.238 1.00 42.43 H new ATOM 0 HG12 ILE A 40 -8.644 5.055 3.163 1.00 13.43 H new ATOM 0 HG13 ILE A 40 -8.822 4.917 1.425 1.00 13.43 H new ATOM 0 HG21 ILE A 40 -6.620 2.615 3.388 1.00 12.31 H new ATOM 0 HG22 ILE A 40 -5.127 3.557 3.166 1.00 12.31 H new ATOM 0 HG23 ILE A 40 -6.400 4.152 4.258 1.00 12.31 H new ATOM 0 HD11 ILE A 40 -10.156 3.228 2.579 1.00 60.00 H new ATOM 0 HD12 ILE A 40 -8.877 2.457 1.612 1.00 60.00 H new ATOM 0 HD13 ILE A 40 -8.696 2.596 3.376 1.00 60.00 H new ATOM 673 N ARG A 41 -3.982 6.436 2.663 1.00 65.30 N ATOM 674 CA ARG A 41 -2.511 6.357 2.654 1.00 2.54 C ATOM 675 C ARG A 41 -2.062 5.171 3.516 1.00 33.41 C ATOM 676 O ARG A 41 -2.113 5.247 4.750 1.00 2.41 O ATOM 677 CB ARG A 41 -1.878 7.672 3.178 1.00 33.02 C ATOM 678 CG ARG A 41 -2.264 8.928 2.370 1.00 62.35 C ATOM 679 CD ARG A 41 -1.504 10.195 2.825 1.00 45.22 C ATOM 680 NE ARG A 41 -0.090 10.197 2.397 1.00 61.55 N ATOM 681 CZ ARG A 41 0.963 9.852 3.152 1.00 11.42 C ATOM 682 NH1 ARG A 41 0.807 9.478 4.421 1.00 43.11 N ATOM 683 NH2 ARG A 41 2.169 9.848 2.614 1.00 12.22 N ATOM 0 H ARG A 41 -4.354 7.043 3.394 1.00 65.30 H new ATOM 0 HA ARG A 41 -2.174 6.212 1.628 1.00 2.54 H new ATOM 0 HB2 ARG A 41 -2.176 7.816 4.216 1.00 33.02 H new ATOM 0 HB3 ARG A 41 -0.793 7.568 3.169 1.00 33.02 H new ATOM 0 HG2 ARG A 41 -2.063 8.750 1.314 1.00 62.35 H new ATOM 0 HG3 ARG A 41 -3.336 9.100 2.466 1.00 62.35 H new ATOM 0 HD2 ARG A 41 -2.002 11.077 2.422 1.00 45.22 H new ATOM 0 HD3 ARG A 41 -1.550 10.271 3.911 1.00 45.22 H new ATOM 0 HE ARG A 41 0.103 10.488 1.439 1.00 61.55 H new ATOM 0 HH11 ARG A 41 -0.125 9.451 4.834 1.00 43.11 H new ATOM 0 HH12 ARG A 41 1.620 9.219 4.980 1.00 43.11 H new ATOM 0 HH21 ARG A 41 2.291 10.105 1.635 1.00 12.22 H new ATOM 0 HH22 ARG A 41 2.978 9.587 3.178 1.00 12.22 H new ATOM 697 N VAL A 42 -1.701 4.060 2.861 1.00 40.03 N ATOM 698 CA VAL A 42 -1.172 2.863 3.535 1.00 14.41 C ATOM 699 C VAL A 42 0.356 2.885 3.450 1.00 73.41 C ATOM 700 O VAL A 42 0.919 2.729 2.364 1.00 2.01 O ATOM 701 CB VAL A 42 -1.709 1.516 2.901 1.00 45.01 C ATOM 702 CG1 VAL A 42 -1.187 0.272 3.670 1.00 34.34 C ATOM 703 CG2 VAL A 42 -3.243 1.510 2.846 1.00 43.13 C ATOM 0 H VAL A 42 -1.767 3.964 1.848 1.00 40.03 H new ATOM 0 HA VAL A 42 -1.511 2.890 4.570 1.00 14.41 H new ATOM 0 HB VAL A 42 -1.325 1.461 1.882 1.00 45.01 H new ATOM 0 HG11 VAL A 42 -1.577 -0.633 3.205 1.00 34.34 H new ATOM 0 HG12 VAL A 42 -0.098 0.256 3.639 1.00 34.34 H new ATOM 0 HG13 VAL A 42 -1.519 0.319 4.707 1.00 34.34 H new ATOM 0 HG21 VAL A 42 -3.588 0.574 2.406 1.00 43.13 H new ATOM 0 HG22 VAL A 42 -3.644 1.606 3.855 1.00 43.13 H new ATOM 0 HG23 VAL A 42 -3.589 2.346 2.237 1.00 43.13 H new ATOM 713 N GLU A 43 1.014 3.139 4.580 1.00 30.45 N ATOM 714 CA GLU A 43 2.447 2.894 4.735 1.00 1.22 C ATOM 715 C GLU A 43 2.679 1.385 4.884 1.00 11.34 C ATOM 716 O GLU A 43 2.011 0.722 5.683 1.00 71.12 O ATOM 717 CB GLU A 43 3.032 3.625 5.976 1.00 41.20 C ATOM 718 CG GLU A 43 3.181 5.163 5.858 1.00 12.12 C ATOM 719 CD GLU A 43 1.881 5.998 5.939 1.00 3.24 C ATOM 720 OE1 GLU A 43 0.806 5.467 6.280 1.00 11.21 O ATOM 721 OE2 GLU A 43 1.963 7.224 5.703 1.00 3.04 O ATOM 0 H GLU A 43 0.568 3.521 5.414 1.00 30.45 H new ATOM 0 HA GLU A 43 2.954 3.281 3.851 1.00 1.22 H new ATOM 0 HB2 GLU A 43 2.395 3.407 6.833 1.00 41.20 H new ATOM 0 HB3 GLU A 43 4.013 3.202 6.192 1.00 41.20 H new ATOM 0 HG2 GLU A 43 3.852 5.501 6.648 1.00 12.12 H new ATOM 0 HG3 GLU A 43 3.669 5.385 4.909 1.00 12.12 H new ATOM 728 N LEU A 44 3.595 0.834 4.091 1.00 51.24 N ATOM 729 CA LEU A 44 4.030 -0.565 4.225 1.00 30.13 C ATOM 730 C LEU A 44 5.542 -0.594 4.440 1.00 30.01 C ATOM 731 O LEU A 44 6.229 0.418 4.278 1.00 44.40 O ATOM 732 CB LEU A 44 3.639 -1.426 2.995 1.00 52.44 C ATOM 733 CG LEU A 44 2.132 -1.366 2.550 1.00 72.14 C ATOM 734 CD1 LEU A 44 1.877 -0.197 1.574 1.00 51.43 C ATOM 735 CD2 LEU A 44 1.645 -2.708 1.961 1.00 52.14 C ATOM 0 H LEU A 44 4.060 1.339 3.337 1.00 51.24 H new ATOM 0 HA LEU A 44 3.519 -1.001 5.084 1.00 30.13 H new ATOM 0 HB2 LEU A 44 4.257 -1.117 2.152 1.00 52.44 H new ATOM 0 HB3 LEU A 44 3.890 -2.464 3.211 1.00 52.44 H new ATOM 0 HG LEU A 44 1.544 -1.181 3.449 1.00 72.14 H new ATOM 0 HD11 LEU A 44 0.826 -0.185 1.287 1.00 51.43 H new ATOM 0 HD12 LEU A 44 2.131 0.745 2.060 1.00 51.43 H new ATOM 0 HD13 LEU A 44 2.494 -0.324 0.685 1.00 51.43 H new ATOM 0 HD21 LEU A 44 0.599 -2.618 1.668 1.00 52.14 H new ATOM 0 HD22 LEU A 44 2.246 -2.962 1.088 1.00 52.14 H new ATOM 0 HD23 LEU A 44 1.746 -3.492 2.711 1.00 52.14 H new ATOM 747 N GLU A 45 6.050 -1.759 4.817 1.00 2.33 N ATOM 748 CA GLU A 45 7.468 -1.973 5.062 1.00 62.22 C ATOM 749 C GLU A 45 7.928 -3.170 4.217 1.00 50.13 C ATOM 750 O GLU A 45 7.547 -4.321 4.466 1.00 74.40 O ATOM 751 CB GLU A 45 7.707 -2.200 6.569 1.00 11.54 C ATOM 752 CG GLU A 45 9.194 -2.260 6.957 1.00 23.22 C ATOM 753 CD GLU A 45 9.409 -2.409 8.466 1.00 21.21 C ATOM 754 OE1 GLU A 45 9.551 -3.553 8.946 1.00 25.51 O ATOM 755 OE2 GLU A 45 9.435 -1.380 9.179 1.00 32.20 O ATOM 0 H GLU A 45 5.481 -2.593 4.963 1.00 2.33 H new ATOM 0 HA GLU A 45 8.051 -1.099 4.772 1.00 62.22 H new ATOM 0 HB2 GLU A 45 7.227 -1.398 7.129 1.00 11.54 H new ATOM 0 HB3 GLU A 45 7.225 -3.131 6.868 1.00 11.54 H new ATOM 0 HG2 GLU A 45 9.665 -3.098 6.443 1.00 23.22 H new ATOM 0 HG3 GLU A 45 9.692 -1.354 6.612 1.00 23.22 H new ATOM 762 N LEU A 46 8.709 -2.868 3.184 1.00 31.00 N ATOM 763 CA LEU A 46 9.217 -3.844 2.219 1.00 71.31 C ATOM 764 C LEU A 46 10.632 -4.260 2.659 1.00 50.04 C ATOM 765 O LEU A 46 11.522 -3.423 2.780 1.00 41.34 O ATOM 766 CB LEU A 46 9.178 -3.188 0.802 1.00 12.20 C ATOM 767 CG LEU A 46 9.825 -3.978 -0.395 1.00 64.51 C ATOM 768 CD1 LEU A 46 9.109 -3.678 -1.728 1.00 75.41 C ATOM 769 CD2 LEU A 46 11.339 -3.671 -0.534 1.00 24.13 C ATOM 0 H LEU A 46 9.015 -1.915 2.988 1.00 31.00 H new ATOM 0 HA LEU A 46 8.611 -4.749 2.177 1.00 71.31 H new ATOM 0 HB2 LEU A 46 8.135 -2.997 0.551 1.00 12.20 H new ATOM 0 HB3 LEU A 46 9.672 -2.219 0.869 1.00 12.20 H new ATOM 0 HG LEU A 46 9.706 -5.037 -0.167 1.00 64.51 H new ATOM 0 HD11 LEU A 46 9.584 -4.242 -2.531 1.00 75.41 H new ATOM 0 HD12 LEU A 46 8.061 -3.968 -1.652 1.00 75.41 H new ATOM 0 HD13 LEU A 46 9.175 -2.612 -1.945 1.00 75.41 H new ATOM 0 HD21 LEU A 46 11.749 -4.235 -1.371 1.00 24.13 H new ATOM 0 HD22 LEU A 46 11.479 -2.605 -0.712 1.00 24.13 H new ATOM 0 HD23 LEU A 46 11.854 -3.957 0.383 1.00 24.13 H new ATOM 781 N ARG A 47 10.812 -5.555 2.938 1.00 14.42 N ATOM 782 CA ARG A 47 12.074 -6.106 3.477 1.00 54.22 C ATOM 783 C ARG A 47 12.780 -6.950 2.400 1.00 71.14 C ATOM 784 O ARG A 47 12.138 -7.757 1.711 1.00 14.10 O ATOM 785 CB ARG A 47 11.759 -6.953 4.737 1.00 44.12 C ATOM 786 CG ARG A 47 11.120 -6.150 5.898 1.00 53.12 C ATOM 787 CD ARG A 47 10.568 -7.056 7.010 1.00 74.23 C ATOM 788 NE ARG A 47 9.504 -7.939 6.499 1.00 13.24 N ATOM 789 CZ ARG A 47 8.995 -8.999 7.143 1.00 2.41 C ATOM 790 NH1 ARG A 47 9.438 -9.359 8.351 1.00 42.15 N ATOM 791 NH2 ARG A 47 8.036 -9.705 6.567 1.00 44.24 N ATOM 0 H ARG A 47 10.087 -6.259 2.798 1.00 14.42 H new ATOM 0 HA ARG A 47 12.746 -5.295 3.759 1.00 54.22 H new ATOM 0 HB2 ARG A 47 11.086 -7.764 4.457 1.00 44.12 H new ATOM 0 HB3 ARG A 47 12.681 -7.412 5.092 1.00 44.12 H new ATOM 0 HG2 ARG A 47 11.864 -5.475 6.321 1.00 53.12 H new ATOM 0 HG3 ARG A 47 10.314 -5.530 5.506 1.00 53.12 H new ATOM 0 HD2 ARG A 47 11.375 -7.658 7.426 1.00 74.23 H new ATOM 0 HD3 ARG A 47 10.177 -6.443 7.822 1.00 74.23 H new ATOM 0 HE ARG A 47 9.123 -7.725 5.577 1.00 13.24 H new ATOM 0 HH11 ARG A 47 10.179 -8.823 8.803 1.00 42.15 H new ATOM 0 HH12 ARG A 47 9.035 -10.169 8.821 1.00 42.15 H new ATOM 0 HH21 ARG A 47 7.692 -9.441 5.644 1.00 44.24 H new ATOM 0 HH22 ARG A 47 7.640 -10.514 7.046 1.00 44.24 H new ATOM 862 N LYS A 52 15.575 -2.409 3.740 1.00 13.13 N ATOM 863 CA LYS A 52 14.245 -2.294 4.340 1.00 65.24 C ATOM 864 C LYS A 52 13.694 -0.913 3.962 1.00 43.24 C ATOM 865 O LYS A 52 14.086 0.098 4.551 1.00 50.11 O ATOM 866 CB LYS A 52 14.294 -2.474 5.875 1.00 75.42 C ATOM 867 CG LYS A 52 12.902 -2.461 6.552 1.00 54.22 C ATOM 868 CD LYS A 52 12.998 -2.386 8.089 1.00 23.23 C ATOM 869 CE LYS A 52 13.580 -1.052 8.584 1.00 70.34 C ATOM 870 NZ LYS A 52 13.673 -1.011 10.067 1.00 43.12 N ATOM 0 HA LYS A 52 13.594 -3.083 3.964 1.00 65.24 H new ATOM 0 HB2 LYS A 52 14.790 -3.417 6.105 1.00 75.42 H new ATOM 0 HB3 LYS A 52 14.904 -1.680 6.305 1.00 75.42 H new ATOM 0 HG2 LYS A 52 12.330 -1.609 6.184 1.00 54.22 H new ATOM 0 HG3 LYS A 52 12.354 -3.360 6.268 1.00 54.22 H new ATOM 0 HD2 LYS A 52 12.006 -2.526 8.518 1.00 23.23 H new ATOM 0 HD3 LYS A 52 13.620 -3.205 8.450 1.00 23.23 H new ATOM 0 HE2 LYS A 52 14.570 -0.904 8.153 1.00 70.34 H new ATOM 0 HE3 LYS A 52 12.955 -0.230 8.235 1.00 70.34 H new ATOM 0 HZ1 LYS A 52 14.070 -0.097 10.365 1.00 43.12 H new ATOM 0 HZ2 LYS A 52 12.725 -1.127 10.478 1.00 43.12 H new ATOM 0 HZ3 LYS A 52 14.290 -1.780 10.398 1.00 43.12 H new ATOM 884 N GLU A 53 12.833 -0.878 2.943 1.00 51.44 N ATOM 885 CA GLU A 53 12.296 0.370 2.386 1.00 24.21 C ATOM 886 C GLU A 53 10.845 0.559 2.853 1.00 65.34 C ATOM 887 O GLU A 53 9.972 -0.246 2.510 1.00 61.44 O ATOM 888 CB GLU A 53 12.351 0.322 0.838 1.00 70.24 C ATOM 889 CG GLU A 53 13.720 -0.067 0.254 1.00 22.02 C ATOM 890 CD GLU A 53 13.727 -0.132 -1.282 1.00 21.01 C ATOM 891 OE1 GLU A 53 13.073 -1.035 -1.852 1.00 33.24 O ATOM 892 OE2 GLU A 53 14.417 0.684 -1.923 1.00 30.14 O ATOM 0 H GLU A 53 12.486 -1.717 2.478 1.00 51.44 H new ATOM 0 HA GLU A 53 12.898 1.209 2.735 1.00 24.21 H new ATOM 0 HB2 GLU A 53 11.605 -0.389 0.484 1.00 70.24 H new ATOM 0 HB3 GLU A 53 12.070 1.300 0.448 1.00 70.24 H new ATOM 0 HG2 GLU A 53 14.467 0.655 0.584 1.00 22.02 H new ATOM 0 HG3 GLU A 53 14.016 -1.037 0.654 1.00 22.02 H new ATOM 899 N ASN A 54 10.601 1.608 3.655 1.00 51.14 N ATOM 900 CA ASN A 54 9.238 2.010 4.033 1.00 35.24 C ATOM 901 C ASN A 54 8.583 2.714 2.834 1.00 33.43 C ATOM 902 O ASN A 54 9.070 3.740 2.364 1.00 61.42 O ATOM 903 CB ASN A 54 9.244 2.946 5.277 1.00 65.14 C ATOM 904 CG ASN A 54 9.653 2.240 6.572 1.00 13.01 C ATOM 905 OD1 ASN A 54 10.491 1.338 6.578 1.00 45.41 O ATOM 906 ND2 ASN A 54 9.070 2.655 7.684 1.00 24.12 N ATOM 0 H ASN A 54 11.333 2.194 4.055 1.00 51.14 H new ATOM 0 HA ASN A 54 8.667 1.121 4.302 1.00 35.24 H new ATOM 0 HB2 ASN A 54 9.927 3.776 5.094 1.00 65.14 H new ATOM 0 HB3 ASN A 54 8.250 3.374 5.404 1.00 65.14 H new ATOM 0 HD21 ASN A 54 9.311 2.226 8.577 1.00 24.12 H new ATOM 0 HD22 ASN A 54 8.379 3.405 7.649 1.00 24.12 H new ATOM 913 N TYR A 55 7.497 2.131 2.333 1.00 52.00 N ATOM 914 CA TYR A 55 6.713 2.688 1.221 1.00 32.22 C ATOM 915 C TYR A 55 5.402 3.269 1.754 1.00 53.12 C ATOM 916 O TYR A 55 5.070 3.102 2.932 1.00 63.15 O ATOM 917 CB TYR A 55 6.403 1.590 0.161 1.00 2.42 C ATOM 918 CG TYR A 55 7.580 1.192 -0.746 1.00 12.45 C ATOM 919 CD1 TYR A 55 7.707 1.714 -2.038 1.00 72.31 C ATOM 920 CD2 TYR A 55 8.535 0.277 -0.325 1.00 71.13 C ATOM 921 CE1 TYR A 55 8.749 1.345 -2.860 1.00 44.21 C ATOM 922 CE2 TYR A 55 9.578 -0.089 -1.148 1.00 31.33 C ATOM 923 CZ TYR A 55 9.678 0.438 -2.413 1.00 11.24 C ATOM 924 OH TYR A 55 10.733 0.079 -3.228 1.00 74.04 O ATOM 0 H TYR A 55 7.128 1.249 2.688 1.00 52.00 H new ATOM 0 HA TYR A 55 7.298 3.476 0.746 1.00 32.22 H new ATOM 0 HB2 TYR A 55 6.050 0.699 0.680 1.00 2.42 H new ATOM 0 HB3 TYR A 55 5.584 1.938 -0.468 1.00 2.42 H new ATOM 0 HD1 TYR A 55 6.973 2.420 -2.398 1.00 72.31 H new ATOM 0 HD2 TYR A 55 8.460 -0.155 0.662 1.00 71.13 H new ATOM 0 HE1 TYR A 55 8.835 1.767 -3.851 1.00 44.21 H new ATOM 0 HE2 TYR A 55 10.319 -0.792 -0.798 1.00 31.33 H new ATOM 0 HH TYR A 55 11.463 -0.279 -2.680 1.00 74.04 H new ATOM 934 N THR A 56 4.684 3.983 0.881 1.00 20.54 N ATOM 935 CA THR A 56 3.348 4.492 1.153 1.00 72.44 C ATOM 936 C THR A 56 2.549 4.443 -0.149 1.00 34.34 C ATOM 937 O THR A 56 2.730 5.290 -1.035 1.00 61.12 O ATOM 938 CB THR A 56 3.375 5.956 1.708 1.00 1.40 C ATOM 939 OG1 THR A 56 4.272 6.046 2.823 1.00 32.33 O ATOM 940 CG2 THR A 56 1.973 6.424 2.138 1.00 22.14 C ATOM 0 H THR A 56 5.027 4.224 -0.049 1.00 20.54 H new ATOM 0 HA THR A 56 2.885 3.872 1.921 1.00 72.44 H new ATOM 0 HB THR A 56 3.721 6.606 0.904 1.00 1.40 H new ATOM 0 HG1 THR A 56 4.282 6.966 3.161 1.00 32.33 H new ATOM 0 HG21 THR A 56 2.031 7.444 2.518 1.00 22.14 H new ATOM 0 HG22 THR A 56 1.300 6.393 1.281 1.00 22.14 H new ATOM 0 HG23 THR A 56 1.594 5.766 2.920 1.00 22.14 H new ATOM 948 N VAL A 57 1.682 3.437 -0.269 1.00 0.34 N ATOM 949 CA VAL A 57 0.821 3.270 -1.433 1.00 0.43 C ATOM 950 C VAL A 57 -0.503 3.966 -1.114 1.00 71.13 C ATOM 951 O VAL A 57 -1.324 3.472 -0.330 1.00 3.32 O ATOM 952 CB VAL A 57 0.597 1.756 -1.788 1.00 61.24 C ATOM 953 CG1 VAL A 57 -0.316 1.590 -3.028 1.00 53.12 C ATOM 954 CG2 VAL A 57 1.953 1.042 -1.996 1.00 34.21 C ATOM 0 H VAL A 57 1.559 2.715 0.441 1.00 0.34 H new ATOM 0 HA VAL A 57 1.290 3.713 -2.311 1.00 0.43 H new ATOM 0 HB VAL A 57 0.087 1.287 -0.946 1.00 61.24 H new ATOM 0 HG11 VAL A 57 -0.448 0.530 -3.243 1.00 53.12 H new ATOM 0 HG12 VAL A 57 -1.287 2.043 -2.828 1.00 53.12 H new ATOM 0 HG13 VAL A 57 0.144 2.080 -3.886 1.00 53.12 H new ATOM 0 HG21 VAL A 57 1.779 -0.006 -2.241 1.00 34.21 H new ATOM 0 HG22 VAL A 57 2.495 1.520 -2.812 1.00 34.21 H new ATOM 0 HG23 VAL A 57 2.543 1.107 -1.082 1.00 34.21 H new ATOM 964 N GLU A 58 -0.653 5.153 -1.699 1.00 65.04 N ATOM 965 CA GLU A 58 -1.803 6.021 -1.492 1.00 70.42 C ATOM 966 C GLU A 58 -2.866 5.656 -2.525 1.00 20.20 C ATOM 967 O GLU A 58 -2.701 5.908 -3.715 1.00 52.12 O ATOM 968 CB GLU A 58 -1.361 7.497 -1.596 1.00 62.23 C ATOM 969 CG GLU A 58 -0.255 7.860 -0.583 1.00 5.11 C ATOM 970 CD GLU A 58 0.182 9.328 -0.608 1.00 52.40 C ATOM 971 OE1 GLU A 58 -0.680 10.216 -0.773 1.00 32.23 O ATOM 972 OE2 GLU A 58 1.386 9.614 -0.396 1.00 41.31 O ATOM 0 H GLU A 58 0.036 5.543 -2.342 1.00 65.04 H new ATOM 0 HA GLU A 58 -2.229 5.886 -0.498 1.00 70.42 H new ATOM 0 HB2 GLU A 58 -1.002 7.694 -2.606 1.00 62.23 H new ATOM 0 HB3 GLU A 58 -2.224 8.143 -1.433 1.00 62.23 H new ATOM 0 HG2 GLU A 58 -0.606 7.617 0.420 1.00 5.11 H new ATOM 0 HG3 GLU A 58 0.615 7.233 -0.776 1.00 5.11 H new ATOM 979 N VAL A 59 -3.895 4.973 -2.042 1.00 22.03 N ATOM 980 CA VAL A 59 -5.010 4.452 -2.841 1.00 24.25 C ATOM 981 C VAL A 59 -6.228 5.399 -2.709 1.00 2.20 C ATOM 982 O VAL A 59 -6.358 6.079 -1.706 1.00 55.41 O ATOM 983 CB VAL A 59 -5.354 2.995 -2.349 1.00 30.13 C ATOM 984 CG1 VAL A 59 -6.456 2.338 -3.195 1.00 73.54 C ATOM 985 CG2 VAL A 59 -4.078 2.103 -2.311 1.00 53.35 C ATOM 0 H VAL A 59 -3.985 4.756 -1.049 1.00 22.03 H new ATOM 0 HA VAL A 59 -4.736 4.405 -3.895 1.00 24.25 H new ATOM 0 HB VAL A 59 -5.742 3.087 -1.335 1.00 30.13 H new ATOM 0 HG11 VAL A 59 -6.657 1.336 -2.816 1.00 73.54 H new ATOM 0 HG12 VAL A 59 -7.365 2.937 -3.137 1.00 73.54 H new ATOM 0 HG13 VAL A 59 -6.129 2.275 -4.233 1.00 73.54 H new ATOM 0 HG21 VAL A 59 -4.343 1.103 -1.968 1.00 53.35 H new ATOM 0 HG22 VAL A 59 -3.647 2.042 -3.310 1.00 53.35 H new ATOM 0 HG23 VAL A 59 -3.349 2.539 -1.628 1.00 53.35 H new ATOM 995 N GLU A 60 -7.099 5.448 -3.732 1.00 70.30 N ATOM 996 CA GLU A 60 -8.280 6.326 -3.770 1.00 11.04 C ATOM 997 C GLU A 60 -9.532 5.516 -4.143 1.00 11.44 C ATOM 998 O GLU A 60 -9.459 4.572 -4.943 1.00 62.41 O ATOM 999 CB GLU A 60 -8.060 7.458 -4.799 1.00 21.42 C ATOM 1000 CG GLU A 60 -9.239 8.441 -4.936 1.00 54.35 C ATOM 1001 CD GLU A 60 -8.997 9.517 -5.996 1.00 53.32 C ATOM 1002 OE1 GLU A 60 -8.393 10.559 -5.671 1.00 51.14 O ATOM 1003 OE2 GLU A 60 -9.407 9.328 -7.160 1.00 13.21 O ATOM 0 H GLU A 60 -7.000 4.870 -4.567 1.00 70.30 H new ATOM 0 HA GLU A 60 -8.426 6.763 -2.782 1.00 11.04 H new ATOM 0 HB2 GLU A 60 -7.168 8.018 -4.518 1.00 21.42 H new ATOM 0 HB3 GLU A 60 -7.862 7.011 -5.773 1.00 21.42 H new ATOM 0 HG2 GLU A 60 -10.142 7.885 -5.190 1.00 54.35 H new ATOM 0 HG3 GLU A 60 -9.420 8.920 -3.974 1.00 54.35 H new ATOM 1010 N ARG A 61 -10.677 5.898 -3.554 1.00 34.22 N ATOM 1011 CA ARG A 61 -11.984 5.317 -3.863 1.00 24.53 C ATOM 1012 C ARG A 61 -12.547 5.965 -5.139 1.00 71.24 C ATOM 1013 O ARG A 61 -12.824 7.173 -5.161 1.00 40.34 O ATOM 1014 CB ARG A 61 -12.952 5.548 -2.677 1.00 13.12 C ATOM 1015 CG ARG A 61 -14.319 4.849 -2.810 1.00 10.22 C ATOM 1016 CD ARG A 61 -14.195 3.318 -2.872 1.00 5.35 C ATOM 1017 NE ARG A 61 -15.483 2.646 -2.667 1.00 34.22 N ATOM 1018 CZ ARG A 61 -15.620 1.364 -2.307 1.00 75.31 C ATOM 1019 NH1 ARG A 61 -14.554 0.602 -2.115 1.00 2.33 N ATOM 1020 NH2 ARG A 61 -16.821 0.838 -2.141 1.00 73.14 N ATOM 0 H ARG A 61 -10.716 6.628 -2.842 1.00 34.22 H new ATOM 0 HA ARG A 61 -11.875 4.245 -4.026 1.00 24.53 H new ATOM 0 HB2 ARG A 61 -12.471 5.203 -1.762 1.00 13.12 H new ATOM 0 HB3 ARG A 61 -13.117 6.620 -2.565 1.00 13.12 H new ATOM 0 HG2 ARG A 61 -14.948 5.125 -1.964 1.00 10.22 H new ATOM 0 HG3 ARG A 61 -14.820 5.206 -3.710 1.00 10.22 H new ATOM 0 HD2 ARG A 61 -13.786 3.028 -3.840 1.00 5.35 H new ATOM 0 HD3 ARG A 61 -13.488 2.982 -2.114 1.00 5.35 H new ATOM 0 HE ARG A 61 -16.332 3.193 -2.808 1.00 34.22 H new ATOM 0 HH11 ARG A 61 -13.620 0.991 -2.241 1.00 2.33 H new ATOM 0 HH12 ARG A 61 -14.667 -0.374 -1.841 1.00 2.33 H new ATOM 0 HH21 ARG A 61 -17.653 1.410 -2.287 1.00 73.14 H new ATOM 0 HH22 ARG A 61 -16.916 -0.140 -1.867 1.00 73.14 H new ATOM 1034 N GLN A 62 -12.656 5.167 -6.205 1.00 53.31 N ATOM 1035 CA GLN A 62 -13.351 5.543 -7.449 1.00 11.42 C ATOM 1036 C GLN A 62 -14.486 4.538 -7.680 1.00 54.44 C ATOM 1037 O GLN A 62 -14.244 3.400 -8.109 1.00 63.24 O ATOM 1038 CB GLN A 62 -12.364 5.589 -8.651 1.00 21.35 C ATOM 1039 CG GLN A 62 -11.285 6.684 -8.519 1.00 23.51 C ATOM 1040 CD GLN A 62 -10.458 6.905 -9.784 1.00 55.12 C ATOM 1041 OE1 GLN A 62 -10.281 6.002 -10.604 1.00 72.25 O ATOM 1042 NE2 GLN A 62 -9.906 8.099 -9.933 1.00 45.12 N ATOM 0 H GLN A 62 -12.260 4.227 -6.233 1.00 53.31 H new ATOM 0 HA GLN A 62 -13.768 6.546 -7.359 1.00 11.42 H new ATOM 0 HB2 GLN A 62 -11.876 4.619 -8.748 1.00 21.35 H new ATOM 0 HB3 GLN A 62 -12.929 5.755 -9.569 1.00 21.35 H new ATOM 0 HG2 GLN A 62 -11.767 7.622 -8.245 1.00 23.51 H new ATOM 0 HG3 GLN A 62 -10.614 6.420 -7.701 1.00 23.51 H new ATOM 0 HE21 GLN A 62 -10.070 8.827 -9.238 1.00 45.12 H new ATOM 0 HE22 GLN A 62 -9.316 8.291 -10.743 1.00 45.12 H new ATOM 1051 N GLY A 63 -15.718 4.958 -7.331 1.00 4.20 N ATOM 1052 CA GLY A 63 -16.893 4.099 -7.384 1.00 15.14 C ATOM 1053 C GLY A 63 -16.871 3.060 -6.272 1.00 45.25 C ATOM 1054 O GLY A 63 -16.975 3.409 -5.090 1.00 30.30 O ATOM 0 H GLY A 63 -15.915 5.904 -7.006 1.00 4.20 H new ATOM 0 HA2 GLY A 63 -17.794 4.706 -7.299 1.00 15.14 H new ATOM 0 HA3 GLY A 63 -16.936 3.598 -8.351 1.00 15.14 H new ATOM 1058 N ASN A 64 -16.714 1.789 -6.654 1.00 20.33 N ATOM 1059 CA ASN A 64 -16.548 0.666 -5.708 1.00 4.03 C ATOM 1060 C ASN A 64 -15.089 0.171 -5.706 1.00 4.51 C ATOM 1061 O ASN A 64 -14.675 -0.538 -4.794 1.00 71.20 O ATOM 1062 CB ASN A 64 -17.504 -0.492 -6.080 1.00 41.43 C ATOM 1063 CG ASN A 64 -17.171 -1.142 -7.427 1.00 4.10 C ATOM 1064 OD1 ASN A 64 -17.631 -0.698 -8.477 1.00 42.42 O ATOM 1065 ND2 ASN A 64 -16.370 -2.199 -7.415 1.00 73.50 N ATOM 0 H ASN A 64 -16.698 1.502 -7.633 1.00 20.33 H new ATOM 0 HA ASN A 64 -16.795 1.019 -4.707 1.00 4.03 H new ATOM 0 HB2 ASN A 64 -17.466 -1.251 -5.299 1.00 41.43 H new ATOM 0 HB3 ASN A 64 -18.526 -0.115 -6.109 1.00 41.43 H new ATOM 0 HD21 ASN A 64 -16.123 -2.662 -8.290 1.00 73.50 H new ATOM 0 HD22 ASN A 64 -16.001 -2.549 -6.531 1.00 73.50 H new ATOM 1072 N THR A 65 -14.316 0.560 -6.741 1.00 31.33 N ATOM 1073 CA THR A 65 -12.954 0.039 -6.967 1.00 62.33 C ATOM 1074 C THR A 65 -11.898 0.949 -6.322 1.00 13.43 C ATOM 1075 O THR A 65 -12.086 2.167 -6.227 1.00 1.44 O ATOM 1076 CB THR A 65 -12.659 -0.115 -8.500 1.00 12.54 C ATOM 1077 OG1 THR A 65 -12.894 1.131 -9.178 1.00 75.35 O ATOM 1078 CG2 THR A 65 -13.521 -1.217 -9.147 1.00 54.45 C ATOM 0 H THR A 65 -14.617 1.240 -7.439 1.00 31.33 H new ATOM 0 HA THR A 65 -12.899 -0.944 -6.498 1.00 62.33 H new ATOM 0 HB THR A 65 -11.612 -0.402 -8.599 1.00 12.54 H new ATOM 0 HG1 THR A 65 -13.235 1.792 -8.540 1.00 75.35 H new ATOM 0 HG21 THR A 65 -13.283 -1.289 -10.208 1.00 54.45 H new ATOM 0 HG22 THR A 65 -13.314 -2.172 -8.664 1.00 54.45 H new ATOM 0 HG23 THR A 65 -14.576 -0.971 -9.027 1.00 54.45 H new ATOM 1086 N TRP A 66 -10.787 0.333 -5.895 1.00 41.04 N ATOM 1087 CA TRP A 66 -9.649 1.021 -5.268 1.00 70.45 C ATOM 1088 C TRP A 66 -8.493 1.159 -6.284 1.00 22.40 C ATOM 1089 O TRP A 66 -7.948 0.152 -6.741 1.00 20.10 O ATOM 1090 CB TRP A 66 -9.204 0.223 -4.015 1.00 41.11 C ATOM 1091 CG TRP A 66 -10.218 0.239 -2.888 1.00 25.21 C ATOM 1092 CD1 TRP A 66 -11.047 -0.780 -2.492 1.00 50.51 C ATOM 1093 CD2 TRP A 66 -10.510 1.350 -2.013 1.00 3.13 C ATOM 1094 NE1 TRP A 66 -11.816 -0.376 -1.425 1.00 2.25 N ATOM 1095 CE2 TRP A 66 -11.507 0.924 -1.117 1.00 15.34 C ATOM 1096 CE3 TRP A 66 -10.016 2.658 -1.899 1.00 34.12 C ATOM 1097 CZ2 TRP A 66 -12.022 1.756 -0.126 1.00 75.05 C ATOM 1098 CZ3 TRP A 66 -10.529 3.484 -0.917 1.00 41.41 C ATOM 1099 CH2 TRP A 66 -11.524 3.029 -0.040 1.00 11.42 C ATOM 0 H TRP A 66 -10.651 -0.675 -5.977 1.00 41.04 H new ATOM 0 HA TRP A 66 -9.942 2.024 -4.958 1.00 70.45 H new ATOM 0 HB2 TRP A 66 -9.011 -0.810 -4.303 1.00 41.11 H new ATOM 0 HB3 TRP A 66 -8.262 0.633 -3.650 1.00 41.11 H new ATOM 0 HD1 TRP A 66 -11.090 -1.757 -2.951 1.00 50.51 H new ATOM 0 HE1 TRP A 66 -12.505 -0.951 -0.941 1.00 2.25 H new ATOM 0 HE3 TRP A 66 -9.247 3.014 -2.568 1.00 34.12 H new ATOM 0 HZ2 TRP A 66 -12.788 1.409 0.552 1.00 75.05 H new ATOM 0 HZ3 TRP A 66 -10.158 4.494 -0.824 1.00 41.41 H new ATOM 0 HH2 TRP A 66 -11.906 3.696 0.719 1.00 11.42 H new ATOM 1110 N THR A 67 -8.141 2.407 -6.639 1.00 44.00 N ATOM 1111 CA THR A 67 -7.066 2.714 -7.609 1.00 31.11 C ATOM 1112 C THR A 67 -5.841 3.307 -6.885 1.00 42.11 C ATOM 1113 O THR A 67 -5.995 4.030 -5.909 1.00 54.45 O ATOM 1114 CB THR A 67 -7.569 3.717 -8.704 1.00 41.34 C ATOM 1115 OG1 THR A 67 -6.574 3.846 -9.733 1.00 13.51 O ATOM 1116 CG2 THR A 67 -7.895 5.111 -8.121 1.00 44.14 C ATOM 0 H THR A 67 -8.595 3.239 -6.261 1.00 44.00 H new ATOM 0 HA THR A 67 -6.778 1.782 -8.096 1.00 31.11 H new ATOM 0 HB THR A 67 -8.492 3.312 -9.118 1.00 41.34 H new ATOM 0 HG1 THR A 67 -6.891 4.472 -10.417 1.00 13.51 H new ATOM 0 HG21 THR A 67 -8.239 5.768 -8.920 1.00 44.14 H new ATOM 0 HG22 THR A 67 -8.677 5.016 -7.367 1.00 44.14 H new ATOM 0 HG23 THR A 67 -7.000 5.533 -7.664 1.00 44.14 H new ATOM 1124 N VAL A 68 -4.629 3.006 -7.354 1.00 45.11 N ATOM 1125 CA VAL A 68 -3.397 3.533 -6.738 1.00 45.04 C ATOM 1126 C VAL A 68 -3.064 4.918 -7.331 1.00 50.33 C ATOM 1127 O VAL A 68 -2.777 5.042 -8.529 1.00 44.44 O ATOM 1128 CB VAL A 68 -2.188 2.545 -6.910 1.00 71.13 C ATOM 1129 CG1 VAL A 68 -0.888 3.128 -6.310 1.00 42.24 C ATOM 1130 CG2 VAL A 68 -2.516 1.166 -6.285 1.00 22.31 C ATOM 0 H VAL A 68 -4.468 2.400 -8.159 1.00 45.11 H new ATOM 0 HA VAL A 68 -3.573 3.637 -5.667 1.00 45.04 H new ATOM 0 HB VAL A 68 -2.021 2.408 -7.978 1.00 71.13 H new ATOM 0 HG11 VAL A 68 -0.073 2.417 -6.447 1.00 42.24 H new ATOM 0 HG12 VAL A 68 -0.642 4.063 -6.813 1.00 42.24 H new ATOM 0 HG13 VAL A 68 -1.031 3.315 -5.246 1.00 42.24 H new ATOM 0 HG21 VAL A 68 -1.666 0.496 -6.415 1.00 22.31 H new ATOM 0 HG22 VAL A 68 -2.723 1.288 -5.222 1.00 22.31 H new ATOM 0 HG23 VAL A 68 -3.391 0.742 -6.778 1.00 22.31 H new ATOM 1140 N LYS A 69 -3.161 5.954 -6.484 1.00 54.03 N ATOM 1141 CA LYS A 69 -2.753 7.333 -6.819 1.00 41.51 C ATOM 1142 C LYS A 69 -1.238 7.411 -7.028 1.00 55.31 C ATOM 1143 O LYS A 69 -0.764 8.000 -8.009 1.00 1.31 O ATOM 1144 CB LYS A 69 -3.181 8.316 -5.692 1.00 15.11 C ATOM 1145 CG LYS A 69 -4.702 8.529 -5.585 1.00 42.24 C ATOM 1146 CD LYS A 69 -5.301 9.269 -6.807 1.00 3.42 C ATOM 1147 CE LYS A 69 -5.095 10.799 -6.771 1.00 15.53 C ATOM 1148 NZ LYS A 69 -3.664 11.220 -6.728 1.00 23.44 N ATOM 0 H LYS A 69 -3.528 5.860 -5.537 1.00 54.03 H new ATOM 0 HA LYS A 69 -3.251 7.618 -7.746 1.00 41.51 H new ATOM 0 HB2 LYS A 69 -2.810 7.941 -4.738 1.00 15.11 H new ATOM 0 HB3 LYS A 69 -2.702 9.280 -5.864 1.00 15.11 H new ATOM 0 HG2 LYS A 69 -5.192 7.561 -5.479 1.00 42.24 H new ATOM 0 HG3 LYS A 69 -4.920 9.098 -4.681 1.00 42.24 H new ATOM 0 HD2 LYS A 69 -4.851 8.872 -7.717 1.00 3.42 H new ATOM 0 HD3 LYS A 69 -6.369 9.057 -6.861 1.00 3.42 H new ATOM 0 HE2 LYS A 69 -5.566 11.239 -7.650 1.00 15.53 H new ATOM 0 HE3 LYS A 69 -5.608 11.204 -5.899 1.00 15.53 H new ATOM 0 HZ1 LYS A 69 -3.572 12.179 -7.121 1.00 23.44 H new ATOM 0 HZ2 LYS A 69 -3.330 11.216 -5.743 1.00 23.44 H new ATOM 0 HZ3 LYS A 69 -3.091 10.559 -7.290 1.00 23.44 H new ATOM 1162 N ARG A 70 -0.494 6.818 -6.084 1.00 12.23 N ATOM 1163 CA ARG A 70 0.971 6.825 -6.106 1.00 21.41 C ATOM 1164 C ARG A 70 1.531 5.733 -5.197 1.00 42.31 C ATOM 1165 O ARG A 70 0.878 5.299 -4.243 1.00 71.33 O ATOM 1166 CB ARG A 70 1.534 8.201 -5.655 1.00 52.43 C ATOM 1167 CG ARG A 70 1.200 8.610 -4.203 1.00 25.15 C ATOM 1168 CD ARG A 70 1.840 9.946 -3.798 1.00 11.20 C ATOM 1169 NE ARG A 70 1.409 11.058 -4.653 1.00 22.25 N ATOM 1170 CZ ARG A 70 1.742 12.345 -4.472 1.00 21.24 C ATOM 1171 NH1 ARG A 70 2.513 12.724 -3.451 1.00 53.05 N ATOM 1172 NH2 ARG A 70 1.298 13.256 -5.321 1.00 32.34 N ATOM 0 H ARG A 70 -0.892 6.322 -5.287 1.00 12.23 H new ATOM 0 HA ARG A 70 1.280 6.636 -7.134 1.00 21.41 H new ATOM 0 HB2 ARG A 70 2.618 8.186 -5.770 1.00 52.43 H new ATOM 0 HB3 ARG A 70 1.152 8.969 -6.328 1.00 52.43 H new ATOM 0 HG2 ARG A 70 0.118 8.682 -4.091 1.00 25.15 H new ATOM 0 HG3 ARG A 70 1.540 7.829 -3.523 1.00 25.15 H new ATOM 0 HD2 ARG A 70 1.584 10.168 -2.762 1.00 11.20 H new ATOM 0 HD3 ARG A 70 2.925 9.855 -3.846 1.00 11.20 H new ATOM 0 HE ARG A 70 0.809 10.835 -5.447 1.00 22.25 H new ATOM 0 HH11 ARG A 70 2.861 12.030 -2.790 1.00 53.05 H new ATOM 0 HH12 ARG A 70 2.754 13.708 -3.332 1.00 53.05 H new ATOM 0 HH21 ARG A 70 0.708 12.978 -6.105 1.00 32.34 H new ATOM 0 HH22 ARG A 70 1.546 14.237 -5.192 1.00 32.34 H new ATOM 1186 N ILE A 71 2.743 5.292 -5.522 1.00 45.43 N ATOM 1187 CA ILE A 71 3.575 4.470 -4.646 1.00 45.24 C ATOM 1188 C ILE A 71 4.797 5.315 -4.260 1.00 50.33 C ATOM 1189 O ILE A 71 5.661 5.586 -5.102 1.00 31.14 O ATOM 1190 CB ILE A 71 4.035 3.141 -5.347 1.00 0.34 C ATOM 1191 CG1 ILE A 71 2.806 2.281 -5.769 1.00 12.23 C ATOM 1192 CG2 ILE A 71 4.984 2.343 -4.432 1.00 35.32 C ATOM 1193 CD1 ILE A 71 3.147 1.035 -6.563 1.00 32.23 C ATOM 0 H ILE A 71 3.183 5.499 -6.418 1.00 45.43 H new ATOM 0 HA ILE A 71 3.001 4.175 -3.768 1.00 45.24 H new ATOM 0 HB ILE A 71 4.583 3.405 -6.252 1.00 0.34 H new ATOM 0 HG12 ILE A 71 2.261 1.986 -4.872 1.00 12.23 H new ATOM 0 HG13 ILE A 71 2.133 2.900 -6.362 1.00 12.23 H new ATOM 0 HG21 ILE A 71 5.291 1.427 -4.936 1.00 35.32 H new ATOM 0 HG22 ILE A 71 5.864 2.945 -4.207 1.00 35.32 H new ATOM 0 HG23 ILE A 71 4.469 2.092 -3.505 1.00 35.32 H new ATOM 0 HD11 ILE A 71 2.230 0.500 -6.812 1.00 32.23 H new ATOM 0 HD12 ILE A 71 3.663 1.318 -7.480 1.00 32.23 H new ATOM 0 HD13 ILE A 71 3.793 0.390 -5.968 1.00 32.23 H new ATOM 1205 N THR A 72 4.827 5.769 -3.010 1.00 35.03 N ATOM 1206 CA THR A 72 5.933 6.556 -2.458 1.00 72.32 C ATOM 1207 C THR A 72 6.942 5.605 -1.789 1.00 40.34 C ATOM 1208 O THR A 72 6.551 4.592 -1.234 1.00 33.32 O ATOM 1209 CB THR A 72 5.384 7.585 -1.409 1.00 3.50 C ATOM 1210 OG1 THR A 72 4.314 8.342 -2.006 1.00 44.42 O ATOM 1211 CG2 THR A 72 6.476 8.549 -0.899 1.00 21.24 C ATOM 0 H THR A 72 4.076 5.600 -2.341 1.00 35.03 H new ATOM 0 HA THR A 72 6.428 7.106 -3.259 1.00 72.32 H new ATOM 0 HB THR A 72 5.024 7.020 -0.549 1.00 3.50 H new ATOM 0 HG1 THR A 72 3.966 8.986 -1.354 1.00 44.42 H new ATOM 0 HG21 THR A 72 6.043 9.240 -0.176 1.00 21.24 H new ATOM 0 HG22 THR A 72 7.272 7.977 -0.423 1.00 21.24 H new ATOM 0 HG23 THR A 72 6.885 9.112 -1.738 1.00 21.24 H new ATOM 1219 N ARG A 73 8.229 5.920 -1.886 1.00 41.24 N ATOM 1220 CA ARG A 73 9.304 5.242 -1.143 1.00 33.43 C ATOM 1221 C ARG A 73 9.936 6.283 -0.207 1.00 14.40 C ATOM 1222 O ARG A 73 9.956 7.474 -0.549 1.00 14.23 O ATOM 1223 CB ARG A 73 10.363 4.675 -2.128 1.00 74.51 C ATOM 1224 CG ARG A 73 11.599 4.023 -1.452 1.00 44.45 C ATOM 1225 CD ARG A 73 12.715 3.663 -2.447 1.00 10.32 C ATOM 1226 NE ARG A 73 12.332 2.558 -3.339 1.00 53.34 N ATOM 1227 CZ ARG A 73 12.967 2.212 -4.468 1.00 51.45 C ATOM 1228 NH1 ARG A 73 14.033 2.876 -4.896 1.00 44.02 N ATOM 1229 NH2 ARG A 73 12.548 1.155 -5.141 1.00 73.34 N ATOM 0 H ARG A 73 8.569 6.667 -2.492 1.00 41.24 H new ATOM 0 HA ARG A 73 8.910 4.403 -0.569 1.00 33.43 H new ATOM 0 HB2 ARG A 73 9.883 3.934 -2.768 1.00 74.51 H new ATOM 0 HB3 ARG A 73 10.705 5.482 -2.776 1.00 74.51 H new ATOM 0 HG2 ARG A 73 11.997 4.706 -0.701 1.00 44.45 H new ATOM 0 HG3 ARG A 73 11.284 3.121 -0.927 1.00 44.45 H new ATOM 0 HD2 ARG A 73 12.963 4.540 -3.045 1.00 10.32 H new ATOM 0 HD3 ARG A 73 13.615 3.388 -1.897 1.00 10.32 H new ATOM 0 HE ARG A 73 11.514 2.008 -3.076 1.00 53.34 H new ATOM 0 HH11 ARG A 73 14.387 3.670 -4.363 1.00 44.02 H new ATOM 0 HH12 ARG A 73 14.498 2.592 -5.758 1.00 44.02 H new ATOM 0 HH21 ARG A 73 11.752 0.616 -4.800 1.00 73.34 H new ATOM 0 HH22 ARG A 73 13.020 0.878 -6.002 1.00 73.34 H new ATOM 1243 N THR A 74 10.429 5.833 0.960 1.00 21.22 N ATOM 1244 CA THR A 74 11.170 6.680 1.908 1.00 32.34 C ATOM 1245 C THR A 74 12.434 7.257 1.223 1.00 23.32 C ATOM 1246 O THR A 74 13.130 6.546 0.482 1.00 31.10 O ATOM 1247 CB THR A 74 11.559 5.874 3.201 1.00 24.13 C ATOM 1248 OG1 THR A 74 12.333 6.693 4.094 1.00 3.23 O ATOM 1249 CG2 THR A 74 12.341 4.577 2.887 1.00 14.32 C ATOM 0 H THR A 74 10.324 4.868 1.272 1.00 21.22 H new ATOM 0 HA THR A 74 10.525 7.504 2.212 1.00 32.34 H new ATOM 0 HB THR A 74 10.621 5.587 3.677 1.00 24.13 H new ATOM 0 HG1 THR A 74 12.565 6.176 4.894 1.00 3.23 H new ATOM 0 HG21 THR A 74 12.582 4.063 3.818 1.00 14.32 H new ATOM 0 HG22 THR A 74 11.730 3.926 2.261 1.00 14.32 H new ATOM 0 HG23 THR A 74 13.263 4.826 2.361 1.00 14.32 H new