USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=16 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 34 GLN : amide:sc= -0.0988 X(o=0.38,f=0.73) USER MOD Set 1.2: A 36 GLN : amide:sc= 0.481 X(o=0.38,f=0.73) USER MOD Set 2.1: A 23 SER OG : rot -103:sc= 0.441 USER MOD Set 2.2: A 26 SER OG : rot 70:sc= 0.414 USER MOD Single : A 8 LYS NZ :NH3+ 161:sc= 0.974 (180deg=0.69) USER MOD Single : A 10 GLN : amide:sc= 0.185 X(o=0.18,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 165:sc= 0.868 (180deg=0.678) USER MOD Single : A 13 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.108 F(o=-1.2,f=-0.11) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.3 K(o=-0.3,f=-0.83) USER MOD Single : A 35 LYS NZ :NH3+ -114:sc= 0.715 (180deg=0.113) USER MOD Single : A 38 ASN :FLIP amide:sc= 0 F(o=-1.9!,f=0) 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= 0.269 X(o=0.27,f=0) USER MOD Single : A 55 TYR OH : rot 165:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.282 USER MOD Single : A 62 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.52) USER MOD Single : A 64 ASN : amide:sc= -0.447 X(o=-0.45,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 144:sc= -0.785 (180deg=-2.56!) USER MOD Single : A 72 THR OG1 : rot 180:sc=-0.00749 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 75 N GLU A 6 -14.030 -3.037 5.517 1.00 42.03 N ATOM 76 CA GLU A 6 -13.845 -3.814 4.289 1.00 73.21 C ATOM 77 C GLU A 6 -12.882 -3.102 3.314 1.00 73.34 C ATOM 78 O GLU A 6 -12.258 -3.763 2.464 1.00 44.22 O ATOM 79 CB GLU A 6 -15.224 -4.084 3.631 1.00 20.25 C ATOM 80 CG GLU A 6 -15.208 -5.160 2.531 1.00 31.20 C ATOM 81 CD GLU A 6 -14.634 -6.509 3.016 1.00 62.54 C ATOM 82 OE1 GLU A 6 -15.283 -7.182 3.854 1.00 74.23 O ATOM 83 OE2 GLU A 6 -13.533 -6.900 2.566 1.00 21.14 O ATOM 0 HA GLU A 6 -13.387 -4.770 4.543 1.00 73.21 H new ATOM 0 HB2 GLU A 6 -15.929 -4.385 4.406 1.00 20.25 H new ATOM 0 HB3 GLU A 6 -15.597 -3.153 3.205 1.00 20.25 H new ATOM 0 HG2 GLU A 6 -16.223 -5.314 2.166 1.00 31.20 H new ATOM 0 HG3 GLU A 6 -14.617 -4.802 1.688 1.00 31.20 H new ATOM 90 N GLU A 7 -12.745 -1.756 3.485 1.00 62.45 N ATOM 91 CA GLU A 7 -11.780 -0.932 2.738 1.00 51.01 C ATOM 92 C GLU A 7 -10.391 -1.559 2.813 1.00 40.33 C ATOM 93 O GLU A 7 -9.930 -2.123 1.843 1.00 24.33 O ATOM 94 CB GLU A 7 -11.706 0.517 3.303 1.00 63.34 C ATOM 95 CG GLU A 7 -12.953 1.400 3.113 1.00 70.35 C ATOM 96 CD GLU A 7 -12.819 2.805 3.748 1.00 33.11 C ATOM 97 OE1 GLU A 7 -13.204 3.806 3.118 1.00 65.14 O ATOM 98 OE2 GLU A 7 -12.324 2.909 4.887 1.00 25.52 O ATOM 0 H GLU A 7 -13.307 -1.222 4.148 1.00 62.45 H new ATOM 0 HA GLU A 7 -12.120 -0.887 1.703 1.00 51.01 H new ATOM 0 HB2 GLU A 7 -11.493 0.455 4.370 1.00 63.34 H new ATOM 0 HB3 GLU A 7 -10.859 1.021 2.837 1.00 63.34 H new ATOM 0 HG2 GLU A 7 -13.151 1.510 2.047 1.00 70.35 H new ATOM 0 HG3 GLU A 7 -13.816 0.895 3.547 1.00 70.35 H new ATOM 105 N LYS A 8 -9.819 -1.571 4.030 1.00 31.22 N ATOM 106 CA LYS A 8 -8.410 -1.924 4.254 1.00 50.11 C ATOM 107 C LYS A 8 -8.142 -3.405 3.912 1.00 61.54 C ATOM 108 O LYS A 8 -7.032 -3.757 3.535 1.00 60.50 O ATOM 109 CB LYS A 8 -7.972 -1.620 5.713 1.00 41.44 C ATOM 110 CG LYS A 8 -8.043 -0.128 6.150 1.00 32.40 C ATOM 111 CD LYS A 8 -9.476 0.374 6.463 1.00 5.32 C ATOM 112 CE LYS A 8 -9.504 1.835 6.944 1.00 70.22 C ATOM 113 NZ LYS A 8 -10.880 2.270 7.310 1.00 22.41 N ATOM 0 H LYS A 8 -10.323 -1.336 4.885 1.00 31.22 H new ATOM 0 HA LYS A 8 -7.814 -1.304 3.584 1.00 50.11 H new ATOM 0 HB2 LYS A 8 -8.596 -2.206 6.388 1.00 41.44 H new ATOM 0 HB3 LYS A 8 -6.947 -1.968 5.844 1.00 41.44 H new ATOM 0 HG2 LYS A 8 -7.420 0.010 7.034 1.00 32.40 H new ATOM 0 HG3 LYS A 8 -7.617 0.491 5.360 1.00 32.40 H new ATOM 0 HD2 LYS A 8 -10.093 0.279 5.569 1.00 5.32 H new ATOM 0 HD3 LYS A 8 -9.921 -0.264 7.227 1.00 5.32 H new ATOM 0 HE2 LYS A 8 -8.846 1.947 7.806 1.00 70.22 H new ATOM 0 HE3 LYS A 8 -9.114 2.484 6.159 1.00 70.22 H new ATOM 0 HZ1 LYS A 8 -10.828 3.113 7.916 1.00 22.41 H new ATOM 0 HZ2 LYS A 8 -11.414 2.497 6.447 1.00 22.41 H new ATOM 0 HZ3 LYS A 8 -11.361 1.504 7.823 1.00 22.41 H new ATOM 127 N ARG A 9 -9.178 -4.252 4.041 1.00 43.24 N ATOM 128 CA ARG A 9 -9.101 -5.687 3.675 1.00 63.14 C ATOM 129 C ARG A 9 -8.747 -5.843 2.179 1.00 35.12 C ATOM 130 O ARG A 9 -7.938 -6.695 1.798 1.00 12.23 O ATOM 131 CB ARG A 9 -10.437 -6.400 4.008 1.00 50.22 C ATOM 132 CG ARG A 9 -10.820 -6.352 5.505 1.00 72.52 C ATOM 133 CD ARG A 9 -12.192 -6.982 5.799 1.00 31.04 C ATOM 134 NE ARG A 9 -12.555 -6.858 7.221 1.00 70.44 N ATOM 135 CZ ARG A 9 -13.806 -6.803 7.714 1.00 1.25 C ATOM 136 NH1 ARG A 9 -14.875 -6.847 6.913 1.00 31.14 N ATOM 137 NH2 ARG A 9 -13.976 -6.721 9.029 1.00 52.34 N ATOM 0 H ARG A 9 -10.090 -3.968 4.399 1.00 43.24 H new ATOM 0 HA ARG A 9 -8.310 -6.157 4.260 1.00 63.14 H new ATOM 0 HB2 ARG A 9 -11.236 -5.943 3.424 1.00 50.22 H new ATOM 0 HB3 ARG A 9 -10.369 -7.442 3.694 1.00 50.22 H new ATOM 0 HG2 ARG A 9 -10.057 -6.871 6.086 1.00 72.52 H new ATOM 0 HG3 ARG A 9 -10.824 -5.315 5.839 1.00 72.52 H new ATOM 0 HD2 ARG A 9 -12.953 -6.499 5.186 1.00 31.04 H new ATOM 0 HD3 ARG A 9 -12.177 -8.035 5.518 1.00 31.04 H new ATOM 0 HE ARG A 9 -11.789 -6.809 7.893 1.00 70.44 H new ATOM 0 HH11 ARG A 9 -14.753 -6.924 5.903 1.00 31.14 H new ATOM 0 HH12 ARG A 9 -15.813 -6.804 7.311 1.00 31.14 H new ATOM 0 HH21 ARG A 9 -13.165 -6.701 9.648 1.00 52.34 H new ATOM 0 HH22 ARG A 9 -14.917 -6.678 9.420 1.00 52.34 H new ATOM 151 N GLN A 10 -9.351 -4.971 1.357 1.00 64.43 N ATOM 152 CA GLN A 10 -9.042 -4.868 -0.078 1.00 14.20 C ATOM 153 C GLN A 10 -7.724 -4.092 -0.300 1.00 34.53 C ATOM 154 O GLN A 10 -6.823 -4.589 -0.963 1.00 43.44 O ATOM 155 CB GLN A 10 -10.203 -4.152 -0.816 1.00 10.31 C ATOM 156 CG GLN A 10 -11.576 -4.847 -0.697 1.00 12.44 C ATOM 157 CD GLN A 10 -12.708 -3.965 -1.217 1.00 33.41 C ATOM 158 OE1 GLN A 10 -13.074 -4.007 -2.392 1.00 14.31 O ATOM 159 NE2 GLN A 10 -13.242 -3.128 -0.343 1.00 32.35 N ATOM 0 H GLN A 10 -10.068 -4.316 1.669 1.00 64.43 H new ATOM 0 HA GLN A 10 -8.923 -5.875 -0.479 1.00 14.20 H new ATOM 0 HB2 GLN A 10 -10.291 -3.138 -0.427 1.00 10.31 H new ATOM 0 HB3 GLN A 10 -9.945 -4.067 -1.872 1.00 10.31 H new ATOM 0 HG2 GLN A 10 -11.559 -5.783 -1.256 1.00 12.44 H new ATOM 0 HG3 GLN A 10 -11.764 -5.102 0.346 1.00 12.44 H new ATOM 0 HE21 GLN A 10 -12.914 -3.121 0.623 1.00 32.35 H new ATOM 0 HE22 GLN A 10 -13.982 -2.490 -0.635 1.00 32.35 H new ATOM 168 N VAL A 11 -7.618 -2.891 0.313 1.00 42.00 N ATOM 169 CA VAL A 11 -6.597 -1.878 -0.038 1.00 2.24 C ATOM 170 C VAL A 11 -5.168 -2.345 0.289 1.00 41.22 C ATOM 171 O VAL A 11 -4.281 -2.172 -0.539 1.00 30.23 O ATOM 172 CB VAL A 11 -6.880 -0.497 0.665 1.00 44.24 C ATOM 173 CG1 VAL A 11 -5.853 0.576 0.259 1.00 50.13 C ATOM 174 CG2 VAL A 11 -8.291 0.006 0.352 1.00 64.43 C ATOM 0 H VAL A 11 -8.239 -2.597 1.066 1.00 42.00 H new ATOM 0 HA VAL A 11 -6.669 -1.744 -1.117 1.00 2.24 H new ATOM 0 HB VAL A 11 -6.792 -0.672 1.737 1.00 44.24 H new ATOM 0 HG11 VAL A 11 -6.085 1.512 0.766 1.00 50.13 H new ATOM 0 HG12 VAL A 11 -4.853 0.248 0.542 1.00 50.13 H new ATOM 0 HG13 VAL A 11 -5.893 0.728 -0.820 1.00 50.13 H new ATOM 0 HG21 VAL A 11 -8.456 0.961 0.851 1.00 64.43 H new ATOM 0 HG22 VAL A 11 -8.400 0.136 -0.725 1.00 64.43 H new ATOM 0 HG23 VAL A 11 -9.023 -0.720 0.706 1.00 64.43 H new ATOM 184 N LYS A 12 -4.957 -2.938 1.487 1.00 40.41 N ATOM 185 CA LYS A 12 -3.616 -3.416 1.911 1.00 34.15 C ATOM 186 C LYS A 12 -3.155 -4.581 1.018 1.00 53.22 C ATOM 187 O LYS A 12 -1.961 -4.749 0.779 1.00 71.42 O ATOM 188 CB LYS A 12 -3.604 -3.885 3.385 1.00 54.25 C ATOM 189 CG LYS A 12 -4.161 -2.872 4.410 1.00 15.41 C ATOM 190 CD LYS A 12 -3.960 -3.331 5.871 1.00 55.15 C ATOM 191 CE LYS A 12 -4.414 -4.780 6.141 1.00 34.51 C ATOM 192 NZ LYS A 12 -5.854 -4.995 5.857 1.00 61.32 N ATOM 0 H LYS A 12 -5.693 -3.097 2.175 1.00 40.41 H new ATOM 0 HA LYS A 12 -2.935 -2.571 1.811 1.00 34.15 H new ATOM 0 HB2 LYS A 12 -4.182 -4.806 3.460 1.00 54.25 H new ATOM 0 HB3 LYS A 12 -2.578 -4.129 3.662 1.00 54.25 H new ATOM 0 HG2 LYS A 12 -3.672 -1.909 4.265 1.00 15.41 H new ATOM 0 HG3 LYS A 12 -5.224 -2.720 4.224 1.00 15.41 H new ATOM 0 HD2 LYS A 12 -2.905 -3.238 6.129 1.00 55.15 H new ATOM 0 HD3 LYS A 12 -4.510 -2.660 6.531 1.00 55.15 H new ATOM 0 HE2 LYS A 12 -3.822 -5.461 5.529 1.00 34.51 H new ATOM 0 HE3 LYS A 12 -4.213 -5.031 7.183 1.00 34.51 H new ATOM 0 HZ1 LYS A 12 -6.050 -6.015 5.807 1.00 61.32 H new ATOM 0 HZ2 LYS A 12 -6.425 -4.570 6.615 1.00 61.32 H new ATOM 0 HZ3 LYS A 12 -6.099 -4.551 4.949 1.00 61.32 H new ATOM 206 N GLN A 13 -4.136 -5.372 0.550 1.00 60.40 N ATOM 207 CA GLN A 13 -3.904 -6.513 -0.343 1.00 73.21 C ATOM 208 C GLN A 13 -3.495 -6.017 -1.745 1.00 13.15 C ATOM 209 O GLN A 13 -2.550 -6.532 -2.328 1.00 22.04 O ATOM 210 CB GLN A 13 -5.175 -7.402 -0.399 1.00 45.13 C ATOM 211 CG GLN A 13 -5.095 -8.609 -1.355 1.00 74.30 C ATOM 212 CD GLN A 13 -6.386 -9.434 -1.449 1.00 42.33 C ATOM 213 OE1 GLN A 13 -7.543 -8.792 -1.312 1.00 22.53 O flip ATOM 214 NE2 GLN A 13 -6.341 -10.643 -1.681 1.00 22.30 N flip ATOM 0 H GLN A 13 -5.119 -5.234 0.785 1.00 60.40 H new ATOM 0 HA GLN A 13 -3.085 -7.119 0.044 1.00 73.21 H new ATOM 0 HB2 GLN A 13 -5.386 -7.769 0.606 1.00 45.13 H new ATOM 0 HB3 GLN A 13 -6.020 -6.780 -0.695 1.00 45.13 H new ATOM 0 HG2 GLN A 13 -4.835 -8.251 -2.351 1.00 74.30 H new ATOM 0 HG3 GLN A 13 -4.285 -9.261 -1.029 1.00 74.30 H new ATOM 0 HE21 GLN A 13 -5.440 -11.110 -1.781 1.00 22.30 H new ATOM 0 HE22 GLN A 13 -7.205 -11.177 -1.773 1.00 22.30 H new ATOM 223 N VAL A 14 -4.194 -4.987 -2.252 1.00 34.43 N ATOM 224 CA VAL A 14 -3.863 -4.349 -3.545 1.00 52.12 C ATOM 225 C VAL A 14 -2.479 -3.666 -3.446 1.00 52.54 C ATOM 226 O VAL A 14 -1.656 -3.779 -4.351 1.00 24.22 O ATOM 227 CB VAL A 14 -4.970 -3.301 -3.960 1.00 35.21 C ATOM 228 CG1 VAL A 14 -4.618 -2.565 -5.278 1.00 64.14 C ATOM 229 CG2 VAL A 14 -6.362 -3.971 -4.069 1.00 34.35 C ATOM 0 H VAL A 14 -5.000 -4.573 -1.783 1.00 34.43 H new ATOM 0 HA VAL A 14 -3.829 -5.118 -4.316 1.00 52.12 H new ATOM 0 HB VAL A 14 -5.005 -2.553 -3.168 1.00 35.21 H new ATOM 0 HG11 VAL A 14 -5.409 -1.856 -5.521 1.00 64.14 H new ATOM 0 HG12 VAL A 14 -3.676 -2.030 -5.156 1.00 64.14 H new ATOM 0 HG13 VAL A 14 -4.521 -3.291 -6.085 1.00 64.14 H new ATOM 0 HG21 VAL A 14 -7.103 -3.225 -4.356 1.00 34.35 H new ATOM 0 HG22 VAL A 14 -6.329 -4.758 -4.822 1.00 34.35 H new ATOM 0 HG23 VAL A 14 -6.635 -4.402 -3.106 1.00 34.35 H new ATOM 239 N ALA A 15 -2.232 -3.037 -2.289 1.00 12.13 N ATOM 240 CA ALA A 15 -1.020 -2.253 -2.018 1.00 40.51 C ATOM 241 C ALA A 15 0.235 -3.147 -1.969 1.00 34.45 C ATOM 242 O ALA A 15 1.265 -2.800 -2.565 1.00 71.51 O ATOM 243 CB ALA A 15 -1.199 -1.486 -0.703 1.00 31.44 C ATOM 0 H ALA A 15 -2.880 -3.059 -1.502 1.00 12.13 H new ATOM 0 HA ALA A 15 -0.872 -1.544 -2.833 1.00 40.51 H new ATOM 0 HB1 ALA A 15 -0.302 -0.902 -0.497 1.00 31.44 H new ATOM 0 HB2 ALA A 15 -2.056 -0.817 -0.786 1.00 31.44 H new ATOM 0 HB3 ALA A 15 -1.367 -2.192 0.110 1.00 31.44 H new ATOM 249 N LYS A 16 0.118 -4.306 -1.281 1.00 15.12 N ATOM 250 CA LYS A 16 1.228 -5.268 -1.149 1.00 62.24 C ATOM 251 C LYS A 16 1.539 -5.905 -2.507 1.00 40.33 C ATOM 252 O LYS A 16 2.700 -6.154 -2.808 1.00 74.42 O ATOM 253 CB LYS A 16 0.933 -6.361 -0.080 1.00 42.34 C ATOM 254 CG LYS A 16 -0.209 -7.337 -0.432 1.00 75.44 C ATOM 255 CD LYS A 16 -0.407 -8.474 0.595 1.00 32.11 C ATOM 256 CE LYS A 16 0.799 -9.427 0.677 1.00 3.33 C ATOM 257 NZ LYS A 16 0.529 -10.585 1.577 1.00 52.14 N ATOM 0 H LYS A 16 -0.738 -4.595 -0.808 1.00 15.12 H new ATOM 0 HA LYS A 16 2.104 -4.717 -0.806 1.00 62.24 H new ATOM 0 HB2 LYS A 16 1.843 -6.938 0.087 1.00 42.34 H new ATOM 0 HB3 LYS A 16 0.691 -5.869 0.862 1.00 42.34 H new ATOM 0 HG2 LYS A 16 -1.139 -6.775 -0.519 1.00 75.44 H new ATOM 0 HG3 LYS A 16 -0.009 -7.776 -1.410 1.00 75.44 H new ATOM 0 HD2 LYS A 16 -0.588 -8.040 1.579 1.00 32.11 H new ATOM 0 HD3 LYS A 16 -1.297 -9.045 0.330 1.00 32.11 H new ATOM 0 HE2 LYS A 16 1.043 -9.791 -0.321 1.00 3.33 H new ATOM 0 HE3 LYS A 16 1.670 -8.881 1.039 1.00 3.33 H new ATOM 0 HZ1 LYS A 16 1.364 -11.204 1.606 1.00 52.14 H new ATOM 0 HZ2 LYS A 16 0.321 -10.239 2.535 1.00 52.14 H new ATOM 0 HZ3 LYS A 16 -0.287 -11.121 1.218 1.00 52.14 H new ATOM 271 N GLU A 17 0.486 -6.124 -3.332 1.00 24.43 N ATOM 272 CA GLU A 17 0.632 -6.679 -4.687 1.00 22.25 C ATOM 273 C GLU A 17 1.490 -5.770 -5.563 1.00 65.54 C ATOM 274 O GLU A 17 2.393 -6.251 -6.229 1.00 52.20 O ATOM 275 CB GLU A 17 -0.747 -6.918 -5.354 1.00 0.41 C ATOM 276 CG GLU A 17 -1.530 -8.112 -4.782 1.00 63.13 C ATOM 277 CD GLU A 17 -0.807 -9.460 -4.961 1.00 34.40 C ATOM 278 OE1 GLU A 17 -0.933 -10.074 -6.043 1.00 3.53 O ATOM 279 OE2 GLU A 17 -0.122 -9.923 -4.026 1.00 24.21 O ATOM 0 H GLU A 17 -0.479 -5.920 -3.073 1.00 24.43 H new ATOM 0 HA GLU A 17 1.134 -7.642 -4.589 1.00 22.25 H new ATOM 0 HB2 GLU A 17 -1.351 -6.017 -5.245 1.00 0.41 H new ATOM 0 HB3 GLU A 17 -0.598 -7.075 -6.422 1.00 0.41 H new ATOM 0 HG2 GLU A 17 -1.711 -7.943 -3.720 1.00 63.13 H new ATOM 0 HG3 GLU A 17 -2.505 -8.164 -5.267 1.00 63.13 H new ATOM 286 N LYS A 18 1.213 -4.455 -5.522 1.00 25.22 N ATOM 287 CA LYS A 18 1.935 -3.459 -6.338 1.00 75.45 C ATOM 288 C LYS A 18 3.408 -3.334 -5.888 1.00 31.31 C ATOM 289 O LYS A 18 4.295 -3.055 -6.699 1.00 64.42 O ATOM 290 CB LYS A 18 1.224 -2.087 -6.275 1.00 35.20 C ATOM 291 CG LYS A 18 -0.275 -2.101 -6.644 1.00 24.35 C ATOM 292 CD LYS A 18 -0.595 -2.816 -7.981 1.00 23.33 C ATOM 293 CE LYS A 18 -2.097 -2.782 -8.315 1.00 45.22 C ATOM 294 NZ LYS A 18 -2.418 -3.568 -9.533 1.00 24.22 N ATOM 0 H LYS A 18 0.488 -4.053 -4.927 1.00 25.22 H new ATOM 0 HA LYS A 18 1.930 -3.802 -7.373 1.00 75.45 H new ATOM 0 HB2 LYS A 18 1.329 -1.688 -5.266 1.00 35.20 H new ATOM 0 HB3 LYS A 18 1.739 -1.399 -6.945 1.00 35.20 H new ATOM 0 HG2 LYS A 18 -0.830 -2.589 -5.843 1.00 24.35 H new ATOM 0 HG3 LYS A 18 -0.633 -1.073 -6.700 1.00 24.35 H new ATOM 0 HD2 LYS A 18 -0.035 -2.342 -8.787 1.00 23.33 H new ATOM 0 HD3 LYS A 18 -0.260 -3.852 -7.926 1.00 23.33 H new ATOM 0 HE2 LYS A 18 -2.664 -3.175 -7.471 1.00 45.22 H new ATOM 0 HE3 LYS A 18 -2.413 -1.748 -8.458 1.00 45.22 H new ATOM 0 HZ1 LYS A 18 -3.440 -3.517 -9.720 1.00 24.22 H new ATOM 0 HZ2 LYS A 18 -1.898 -3.178 -10.345 1.00 24.22 H new ATOM 0 HZ3 LYS A 18 -2.142 -4.560 -9.389 1.00 24.22 H new ATOM 308 N LEU A 19 3.644 -3.564 -4.585 1.00 23.34 N ATOM 309 CA LEU A 19 4.995 -3.610 -4.002 1.00 42.00 C ATOM 310 C LEU A 19 5.766 -4.865 -4.463 1.00 34.23 C ATOM 311 O LEU A 19 6.973 -4.805 -4.690 1.00 64.24 O ATOM 312 CB LEU A 19 4.896 -3.547 -2.452 1.00 41.44 C ATOM 313 CG LEU A 19 4.486 -2.166 -1.865 1.00 34.03 C ATOM 314 CD1 LEU A 19 4.484 -2.190 -0.330 1.00 0.34 C ATOM 315 CD2 LEU A 19 5.400 -1.054 -2.396 1.00 12.51 C ATOM 0 H LEU A 19 2.901 -3.724 -3.905 1.00 23.34 H new ATOM 0 HA LEU A 19 5.557 -2.745 -4.355 1.00 42.00 H new ATOM 0 HB2 LEU A 19 4.173 -4.293 -2.120 1.00 41.44 H new ATOM 0 HB3 LEU A 19 5.861 -3.829 -2.031 1.00 41.44 H new ATOM 0 HG LEU A 19 3.468 -1.954 -2.193 1.00 34.03 H new ATOM 0 HD11 LEU A 19 4.193 -1.210 0.049 1.00 0.34 H new ATOM 0 HD12 LEU A 19 3.775 -2.940 0.021 1.00 0.34 H new ATOM 0 HD13 LEU A 19 5.482 -2.437 0.031 1.00 0.34 H new ATOM 0 HD21 LEU A 19 5.094 -0.098 -1.972 1.00 12.51 H new ATOM 0 HD22 LEU A 19 6.431 -1.264 -2.112 1.00 12.51 H new ATOM 0 HD23 LEU A 19 5.325 -1.009 -3.483 1.00 12.51 H new ATOM 327 N LEU A 20 5.041 -5.982 -4.607 1.00 24.32 N ATOM 328 CA LEU A 20 5.587 -7.253 -5.115 1.00 13.14 C ATOM 329 C LEU A 20 5.773 -7.190 -6.653 1.00 31.41 C ATOM 330 O LEU A 20 6.584 -7.931 -7.210 1.00 0.21 O ATOM 331 CB LEU A 20 4.647 -8.419 -4.682 1.00 21.31 C ATOM 332 CG LEU A 20 4.580 -8.689 -3.136 1.00 52.44 C ATOM 333 CD1 LEU A 20 3.329 -9.512 -2.747 1.00 1.51 C ATOM 334 CD2 LEU A 20 5.873 -9.367 -2.634 1.00 55.21 C ATOM 0 H LEU A 20 4.050 -6.032 -4.373 1.00 24.32 H new ATOM 0 HA LEU A 20 6.574 -7.432 -4.688 1.00 13.14 H new ATOM 0 HB2 LEU A 20 3.640 -8.204 -5.041 1.00 21.31 H new ATOM 0 HB3 LEU A 20 4.975 -9.332 -5.180 1.00 21.31 H new ATOM 0 HG LEU A 20 4.493 -7.721 -2.642 1.00 52.44 H new ATOM 0 HD11 LEU A 20 3.322 -9.676 -1.669 1.00 1.51 H new ATOM 0 HD12 LEU A 20 2.431 -8.967 -3.037 1.00 1.51 H new ATOM 0 HD13 LEU A 20 3.352 -10.473 -3.260 1.00 1.51 H new ATOM 0 HD21 LEU A 20 5.799 -9.542 -1.561 1.00 55.21 H new ATOM 0 HD22 LEU A 20 6.008 -10.318 -3.148 1.00 55.21 H new ATOM 0 HD23 LEU A 20 6.726 -8.720 -2.838 1.00 55.21 H new ATOM 346 N GLU A 21 5.019 -6.286 -7.323 1.00 23.13 N ATOM 347 CA GLU A 21 5.201 -5.983 -8.763 1.00 64.14 C ATOM 348 C GLU A 21 6.532 -5.246 -8.985 1.00 31.23 C ATOM 349 O GLU A 21 7.203 -5.454 -9.994 1.00 65.53 O ATOM 350 CB GLU A 21 4.021 -5.119 -9.309 1.00 75.14 C ATOM 351 CG GLU A 21 2.639 -5.812 -9.307 1.00 10.35 C ATOM 352 CD GLU A 21 2.492 -6.950 -10.341 1.00 62.11 C ATOM 353 OE1 GLU A 21 3.037 -8.057 -10.122 1.00 55.22 O ATOM 354 OE2 GLU A 21 1.806 -6.754 -11.362 1.00 74.01 O ATOM 0 H GLU A 21 4.271 -5.749 -6.883 1.00 23.13 H new ATOM 0 HA GLU A 21 5.216 -6.928 -9.307 1.00 64.14 H new ATOM 0 HB2 GLU A 21 3.953 -4.208 -8.714 1.00 75.14 H new ATOM 0 HB3 GLU A 21 4.256 -4.816 -10.329 1.00 75.14 H new ATOM 0 HG2 GLU A 21 2.450 -6.215 -8.312 1.00 10.35 H new ATOM 0 HG3 GLU A 21 1.871 -5.063 -9.498 1.00 10.35 H new ATOM 361 N GLN A 22 6.885 -4.365 -8.027 1.00 61.14 N ATOM 362 CA GLN A 22 8.154 -3.624 -8.043 1.00 73.12 C ATOM 363 C GLN A 22 9.327 -4.531 -7.622 1.00 51.40 C ATOM 364 O GLN A 22 10.403 -4.481 -8.225 1.00 4.45 O ATOM 365 CB GLN A 22 8.082 -2.393 -7.105 1.00 64.54 C ATOM 366 CG GLN A 22 7.074 -1.307 -7.529 1.00 72.54 C ATOM 367 CD GLN A 22 7.077 -0.078 -6.609 1.00 15.01 C ATOM 368 OE1 GLN A 22 7.302 -0.277 -5.310 1.00 53.30 O flip ATOM 369 NE2 GLN A 22 6.847 1.047 -7.057 1.00 3.41 N flip ATOM 0 H GLN A 22 6.296 -4.150 -7.223 1.00 61.14 H new ATOM 0 HA GLN A 22 8.325 -3.282 -9.064 1.00 73.12 H new ATOM 0 HB2 GLN A 22 7.825 -2.734 -6.102 1.00 64.54 H new ATOM 0 HB3 GLN A 22 9.073 -1.943 -7.044 1.00 64.54 H new ATOM 0 HG2 GLN A 22 7.300 -0.990 -8.547 1.00 72.54 H new ATOM 0 HG3 GLN A 22 6.073 -1.737 -7.544 1.00 72.54 H new ATOM 0 HE21 GLN A 22 6.678 1.174 -8.055 1.00 3.41 H new ATOM 0 HE22 GLN A 22 6.826 1.851 -6.430 1.00 3.41 H new ATOM 378 N SER A 23 9.099 -5.354 -6.585 1.00 31.23 N ATOM 379 CA SER A 23 10.141 -6.197 -5.988 1.00 71.01 C ATOM 380 C SER A 23 9.523 -7.505 -5.430 1.00 4.33 C ATOM 381 O SER A 23 8.963 -7.511 -4.324 1.00 73.12 O ATOM 382 CB SER A 23 10.900 -5.414 -4.881 1.00 72.55 C ATOM 383 OG SER A 23 12.003 -6.160 -4.378 1.00 51.14 O ATOM 0 H SER A 23 8.187 -5.452 -6.139 1.00 31.23 H new ATOM 0 HA SER A 23 10.861 -6.469 -6.760 1.00 71.01 H new ATOM 0 HB2 SER A 23 11.254 -4.465 -5.283 1.00 72.55 H new ATOM 0 HB3 SER A 23 10.216 -5.179 -4.066 1.00 72.55 H new ATOM 0 HG SER A 23 11.771 -6.537 -3.504 1.00 51.14 H new ATOM 389 N PRO A 24 9.568 -8.629 -6.216 1.00 51.44 N ATOM 390 CA PRO A 24 9.153 -9.975 -5.738 1.00 50.33 C ATOM 391 C PRO A 24 10.274 -10.692 -4.943 1.00 31.30 C ATOM 392 O PRO A 24 10.093 -11.810 -4.452 1.00 52.22 O ATOM 393 CB PRO A 24 8.821 -10.705 -7.059 1.00 52.45 C ATOM 394 CG PRO A 24 9.779 -10.122 -8.061 1.00 71.40 C ATOM 395 CD PRO A 24 9.986 -8.671 -7.651 1.00 23.24 C ATOM 0 HA PRO A 24 8.320 -9.943 -5.036 1.00 50.33 H new ATOM 0 HB2 PRO A 24 8.955 -11.782 -6.962 1.00 52.45 H new ATOM 0 HB3 PRO A 24 7.786 -10.538 -7.356 1.00 52.45 H new ATOM 0 HG2 PRO A 24 10.724 -10.666 -8.060 1.00 71.40 H new ATOM 0 HG3 PRO A 24 9.375 -10.188 -9.071 1.00 71.40 H new ATOM 0 HD2 PRO A 24 11.026 -8.368 -7.771 1.00 23.24 H new ATOM 0 HD3 PRO A 24 9.385 -7.996 -8.260 1.00 23.24 H new ATOM 403 N ASN A 25 11.435 -10.028 -4.843 1.00 1.20 N ATOM 404 CA ASN A 25 12.620 -10.513 -4.105 1.00 22.43 C ATOM 405 C ASN A 25 12.525 -10.193 -2.607 1.00 44.25 C ATOM 406 O ASN A 25 13.404 -10.583 -1.825 1.00 53.23 O ATOM 407 CB ASN A 25 13.890 -9.835 -4.688 1.00 23.53 C ATOM 408 CG ASN A 25 14.155 -10.218 -6.138 1.00 22.15 C ATOM 409 OD1 ASN A 25 13.662 -9.573 -7.065 1.00 61.11 O ATOM 410 ND2 ASN A 25 14.940 -11.270 -6.345 1.00 31.11 N ATOM 0 H ASN A 25 11.584 -9.119 -5.281 1.00 1.20 H new ATOM 0 HA ASN A 25 12.671 -11.596 -4.218 1.00 22.43 H new ATOM 0 HB2 ASN A 25 13.782 -8.753 -4.617 1.00 23.53 H new ATOM 0 HB3 ASN A 25 14.753 -10.110 -4.082 1.00 23.53 H new ATOM 0 HD21 ASN A 25 15.153 -11.568 -7.297 1.00 31.11 H new ATOM 0 HD22 ASN A 25 15.330 -11.779 -5.552 1.00 31.11 H new ATOM 417 N SER A 26 11.464 -9.476 -2.215 1.00 35.31 N ATOM 418 CA SER A 26 11.338 -8.886 -0.878 1.00 25.01 C ATOM 419 C SER A 26 10.019 -9.280 -0.198 1.00 74.42 C ATOM 420 O SER A 26 8.974 -9.365 -0.856 1.00 41.44 O ATOM 421 CB SER A 26 11.417 -7.361 -1.018 1.00 61.01 C ATOM 422 OG SER A 26 10.482 -6.886 -1.972 1.00 21.13 O ATOM 0 H SER A 26 10.665 -9.288 -2.821 1.00 35.31 H new ATOM 0 HA SER A 26 12.146 -9.262 -0.251 1.00 25.01 H new ATOM 0 HB2 SER A 26 11.225 -6.894 -0.052 1.00 61.01 H new ATOM 0 HB3 SER A 26 12.425 -7.072 -1.317 1.00 61.01 H new ATOM 0 HG SER A 26 9.574 -6.985 -1.617 1.00 21.13 H new ATOM 428 N LYS A 27 10.090 -9.504 1.124 1.00 23.22 N ATOM 429 CA LYS A 27 8.907 -9.674 1.974 1.00 11.11 C ATOM 430 C LYS A 27 8.281 -8.299 2.268 1.00 30.41 C ATOM 431 O LYS A 27 8.998 -7.330 2.548 1.00 61.54 O ATOM 432 CB LYS A 27 9.297 -10.384 3.294 1.00 51.13 C ATOM 433 CG LYS A 27 8.124 -10.662 4.268 1.00 0.14 C ATOM 434 CD LYS A 27 7.110 -11.695 3.716 1.00 15.44 C ATOM 435 CE LYS A 27 7.740 -13.086 3.510 1.00 0.03 C ATOM 436 NZ LYS A 27 6.774 -14.077 2.969 1.00 73.25 N ATOM 0 H LYS A 27 10.972 -9.572 1.632 1.00 23.22 H new ATOM 0 HA LYS A 27 8.176 -10.292 1.454 1.00 11.11 H new ATOM 0 HB2 LYS A 27 9.777 -11.332 3.050 1.00 51.13 H new ATOM 0 HB3 LYS A 27 10.039 -9.775 3.810 1.00 51.13 H new ATOM 0 HG2 LYS A 27 8.524 -11.024 5.215 1.00 0.14 H new ATOM 0 HG3 LYS A 27 7.604 -9.727 4.478 1.00 0.14 H new ATOM 0 HD2 LYS A 27 6.269 -11.779 4.405 1.00 15.44 H new ATOM 0 HD3 LYS A 27 6.710 -11.336 2.767 1.00 15.44 H new ATOM 0 HE2 LYS A 27 8.586 -13.000 2.829 1.00 0.03 H new ATOM 0 HE3 LYS A 27 8.132 -13.448 4.461 1.00 0.03 H new ATOM 0 HZ1 LYS A 27 7.248 -14.995 2.849 1.00 73.25 H new ATOM 0 HZ2 LYS A 27 5.978 -14.182 3.630 1.00 73.25 H new ATOM 0 HZ3 LYS A 27 6.419 -13.749 2.048 1.00 73.25 H new ATOM 450 N VAL A 28 6.947 -8.232 2.181 1.00 53.42 N ATOM 451 CA VAL A 28 6.163 -7.025 2.485 1.00 12.22 C ATOM 452 C VAL A 28 5.321 -7.281 3.750 1.00 72.41 C ATOM 453 O VAL A 28 4.716 -8.348 3.877 1.00 54.10 O ATOM 454 CB VAL A 28 5.218 -6.659 1.277 1.00 45.33 C ATOM 455 CG1 VAL A 28 4.407 -5.379 1.565 1.00 74.03 C ATOM 456 CG2 VAL A 28 6.019 -6.528 -0.043 1.00 61.13 C ATOM 0 H VAL A 28 6.372 -9.024 1.894 1.00 53.42 H new ATOM 0 HA VAL A 28 6.842 -6.189 2.653 1.00 12.22 H new ATOM 0 HB VAL A 28 4.509 -7.478 1.156 1.00 45.33 H new ATOM 0 HG11 VAL A 28 3.766 -5.155 0.712 1.00 74.03 H new ATOM 0 HG12 VAL A 28 3.792 -5.530 2.452 1.00 74.03 H new ATOM 0 HG13 VAL A 28 5.090 -4.546 1.735 1.00 74.03 H new ATOM 0 HG21 VAL A 28 5.340 -6.275 -0.857 1.00 61.13 H new ATOM 0 HG22 VAL A 28 6.768 -5.743 0.062 1.00 61.13 H new ATOM 0 HG23 VAL A 28 6.514 -7.474 -0.264 1.00 61.13 H new ATOM 466 N GLN A 29 5.300 -6.311 4.682 1.00 25.33 N ATOM 467 CA GLN A 29 4.484 -6.373 5.922 1.00 54.32 C ATOM 468 C GLN A 29 3.666 -5.079 6.060 1.00 25.35 C ATOM 469 O GLN A 29 4.113 -4.036 5.621 1.00 0.42 O ATOM 470 CB GLN A 29 5.395 -6.546 7.175 1.00 61.44 C ATOM 471 CG GLN A 29 6.236 -7.844 7.215 1.00 21.02 C ATOM 472 CD GLN A 29 5.419 -9.145 7.199 1.00 24.52 C ATOM 473 OE1 GLN A 29 5.873 -10.161 6.675 1.00 30.04 O ATOM 474 NE2 GLN A 29 4.231 -9.149 7.791 1.00 70.11 N ATOM 0 H GLN A 29 5.849 -5.455 4.602 1.00 25.33 H new ATOM 0 HA GLN A 29 3.816 -7.232 5.856 1.00 54.32 H new ATOM 0 HB2 GLN A 29 6.072 -5.694 7.230 1.00 61.44 H new ATOM 0 HB3 GLN A 29 4.768 -6.513 8.066 1.00 61.44 H new ATOM 0 HG2 GLN A 29 6.914 -7.847 6.361 1.00 21.02 H new ATOM 0 HG3 GLN A 29 6.854 -7.831 8.113 1.00 21.02 H new ATOM 0 HE21 GLN A 29 3.872 -8.296 8.220 1.00 70.11 H new ATOM 0 HE22 GLN A 29 3.677 -10.005 7.817 1.00 70.11 H new ATOM 483 N VAL A 30 2.479 -5.147 6.680 1.00 73.54 N ATOM 484 CA VAL A 30 1.651 -3.951 6.939 1.00 11.42 C ATOM 485 C VAL A 30 2.224 -3.162 8.140 1.00 25.34 C ATOM 486 O VAL A 30 2.174 -3.634 9.282 1.00 44.13 O ATOM 487 CB VAL A 30 0.147 -4.336 7.204 1.00 35.01 C ATOM 488 CG1 VAL A 30 -0.715 -3.080 7.492 1.00 35.25 C ATOM 489 CG2 VAL A 30 -0.428 -5.156 6.019 1.00 34.22 C ATOM 0 H VAL A 30 2.066 -6.018 7.014 1.00 73.54 H new ATOM 0 HA VAL A 30 1.679 -3.322 6.049 1.00 11.42 H new ATOM 0 HB VAL A 30 0.113 -4.964 8.094 1.00 35.01 H new ATOM 0 HG11 VAL A 30 -1.747 -3.380 7.671 1.00 35.25 H new ATOM 0 HG12 VAL A 30 -0.329 -2.568 8.373 1.00 35.25 H new ATOM 0 HG13 VAL A 30 -0.676 -2.408 6.635 1.00 35.25 H new ATOM 0 HG21 VAL A 30 -1.468 -5.411 6.224 1.00 34.22 H new ATOM 0 HG22 VAL A 30 -0.373 -4.564 5.106 1.00 34.22 H new ATOM 0 HG23 VAL A 30 0.152 -6.070 5.894 1.00 34.22 H new ATOM 499 N ARG A 31 2.784 -1.977 7.853 1.00 61.32 N ATOM 500 CA ARG A 31 3.378 -1.085 8.869 1.00 25.13 C ATOM 501 C ARG A 31 2.273 -0.265 9.565 1.00 31.33 C ATOM 502 O ARG A 31 2.077 -0.350 10.785 1.00 51.02 O ATOM 503 CB ARG A 31 4.414 -0.148 8.181 1.00 34.12 C ATOM 504 CG ARG A 31 5.057 0.927 9.092 1.00 33.52 C ATOM 505 CD ARG A 31 5.963 0.328 10.179 1.00 12.12 C ATOM 506 NE ARG A 31 6.452 1.349 11.118 1.00 13.34 N ATOM 507 CZ ARG A 31 7.665 1.352 11.704 1.00 63.12 C ATOM 508 NH1 ARG A 31 8.553 0.391 11.454 1.00 30.11 N ATOM 509 NH2 ARG A 31 7.977 2.323 12.547 1.00 41.23 N ATOM 0 H ARG A 31 2.839 -1.606 6.905 1.00 61.32 H new ATOM 0 HA ARG A 31 3.886 -1.678 9.629 1.00 25.13 H new ATOM 0 HB2 ARG A 31 5.209 -0.763 7.760 1.00 34.12 H new ATOM 0 HB3 ARG A 31 3.924 0.355 7.347 1.00 34.12 H new ATOM 0 HG2 ARG A 31 5.640 1.614 8.479 1.00 33.52 H new ATOM 0 HG3 ARG A 31 4.269 1.513 9.565 1.00 33.52 H new ATOM 0 HD2 ARG A 31 5.412 -0.435 10.729 1.00 12.12 H new ATOM 0 HD3 ARG A 31 6.812 -0.168 9.709 1.00 12.12 H new ATOM 0 HE ARG A 31 5.821 2.118 11.344 1.00 13.34 H new ATOM 0 HH11 ARG A 31 8.319 -0.364 10.809 1.00 30.11 H new ATOM 0 HH12 ARG A 31 9.467 0.410 11.907 1.00 30.11 H new ATOM 0 HH21 ARG A 31 7.302 3.060 12.748 1.00 41.23 H new ATOM 0 HH22 ARG A 31 8.893 2.334 12.996 1.00 41.23 H new ATOM 523 N ARG A 32 1.550 0.508 8.757 1.00 43.10 N ATOM 524 CA ARG A 32 0.496 1.436 9.200 1.00 42.03 C ATOM 525 C ARG A 32 -0.572 1.536 8.106 1.00 5.44 C ATOM 526 O ARG A 32 -0.366 1.071 6.983 1.00 22.54 O ATOM 527 CB ARG A 32 1.095 2.849 9.493 1.00 11.02 C ATOM 528 CG ARG A 32 1.776 3.032 10.873 1.00 70.20 C ATOM 529 CD ARG A 32 0.748 3.192 12.009 1.00 42.44 C ATOM 530 NE ARG A 32 -0.108 4.385 11.799 1.00 41.34 N ATOM 531 CZ ARG A 32 -1.386 4.514 12.201 1.00 63.45 C ATOM 532 NH1 ARG A 32 -2.001 3.531 12.855 1.00 11.33 N ATOM 533 NH2 ARG A 32 -2.049 5.637 11.937 1.00 53.31 N ATOM 0 H ARG A 32 1.680 0.511 7.745 1.00 43.10 H new ATOM 0 HA ARG A 32 0.049 1.059 10.120 1.00 42.03 H new ATOM 0 HB2 ARG A 32 1.826 3.079 8.717 1.00 11.02 H new ATOM 0 HB3 ARG A 32 0.295 3.585 9.405 1.00 11.02 H new ATOM 0 HG2 ARG A 32 2.413 2.172 11.079 1.00 70.20 H new ATOM 0 HG3 ARG A 32 2.423 3.909 10.844 1.00 70.20 H new ATOM 0 HD2 ARG A 32 0.124 2.300 12.066 1.00 42.44 H new ATOM 0 HD3 ARG A 32 1.268 3.279 12.963 1.00 42.44 H new ATOM 0 HE ARG A 32 0.308 5.176 11.307 1.00 41.34 H new ATOM 0 HH11 ARG A 32 -1.503 2.664 13.058 1.00 11.33 H new ATOM 0 HH12 ARG A 32 -2.970 3.645 13.153 1.00 11.33 H new ATOM 0 HH21 ARG A 32 -1.589 6.394 11.432 1.00 53.31 H new ATOM 0 HH22 ARG A 32 -3.018 5.740 12.239 1.00 53.31 H new ATOM 547 N VAL A 33 -1.726 2.126 8.445 1.00 41.10 N ATOM 548 CA VAL A 33 -2.777 2.469 7.464 1.00 62.13 C ATOM 549 C VAL A 33 -3.285 3.889 7.762 1.00 51.45 C ATOM 550 O VAL A 33 -3.459 4.248 8.933 1.00 61.32 O ATOM 551 CB VAL A 33 -3.998 1.463 7.488 1.00 4.44 C ATOM 552 CG1 VAL A 33 -5.058 1.852 6.430 1.00 34.03 C ATOM 553 CG2 VAL A 33 -3.548 -0.004 7.288 1.00 13.11 C ATOM 0 H VAL A 33 -1.962 2.381 9.404 1.00 41.10 H new ATOM 0 HA VAL A 33 -2.332 2.405 6.471 1.00 62.13 H new ATOM 0 HB VAL A 33 -4.449 1.536 8.478 1.00 4.44 H new ATOM 0 HG11 VAL A 33 -5.886 1.144 6.468 1.00 34.03 H new ATOM 0 HG12 VAL A 33 -5.428 2.856 6.638 1.00 34.03 H new ATOM 0 HG13 VAL A 33 -4.607 1.830 5.438 1.00 34.03 H new ATOM 0 HG21 VAL A 33 -4.419 -0.658 7.312 1.00 13.11 H new ATOM 0 HG22 VAL A 33 -3.046 -0.103 6.325 1.00 13.11 H new ATOM 0 HG23 VAL A 33 -2.861 -0.286 8.086 1.00 13.11 H new ATOM 563 N GLN A 34 -3.532 4.679 6.708 1.00 63.43 N ATOM 564 CA GLN A 34 -4.050 6.050 6.831 1.00 33.32 C ATOM 565 C GLN A 34 -5.323 6.185 5.981 1.00 40.24 C ATOM 566 O GLN A 34 -5.232 6.194 4.765 1.00 75.04 O ATOM 567 CB GLN A 34 -2.967 7.052 6.333 1.00 61.25 C ATOM 568 CG GLN A 34 -3.279 8.542 6.596 1.00 52.41 C ATOM 569 CD GLN A 34 -3.276 8.930 8.081 1.00 1.22 C ATOM 570 OE1 GLN A 34 -4.013 9.818 8.500 1.00 71.54 O ATOM 571 NE2 GLN A 34 -2.416 8.308 8.885 1.00 5.54 N ATOM 0 H GLN A 34 -3.378 4.385 5.743 1.00 63.43 H new ATOM 0 HA GLN A 34 -4.289 6.269 7.872 1.00 33.32 H new ATOM 0 HB2 GLN A 34 -2.019 6.806 6.812 1.00 61.25 H new ATOM 0 HB3 GLN A 34 -2.829 6.910 5.261 1.00 61.25 H new ATOM 0 HG2 GLN A 34 -2.546 9.154 6.070 1.00 52.41 H new ATOM 0 HG3 GLN A 34 -4.255 8.778 6.172 1.00 52.41 H new ATOM 0 HE21 GLN A 34 -1.813 7.573 8.516 1.00 5.54 H new ATOM 0 HE22 GLN A 34 -2.360 8.567 9.870 1.00 5.54 H new ATOM 580 N LYS A 35 -6.502 6.281 6.613 1.00 43.23 N ATOM 581 CA LYS A 35 -7.775 6.482 5.893 1.00 74.04 C ATOM 582 C LYS A 35 -8.092 7.977 5.904 1.00 21.42 C ATOM 583 O LYS A 35 -8.339 8.545 6.968 1.00 2.21 O ATOM 584 CB LYS A 35 -8.923 5.637 6.553 1.00 44.00 C ATOM 585 CG LYS A 35 -10.289 5.610 5.793 1.00 72.32 C ATOM 586 CD LYS A 35 -11.178 6.849 6.058 1.00 25.01 C ATOM 587 CE LYS A 35 -12.417 6.902 5.154 1.00 11.21 C ATOM 588 NZ LYS A 35 -13.296 5.715 5.312 1.00 22.53 N ATOM 0 H LYS A 35 -6.604 6.223 7.626 1.00 43.23 H new ATOM 0 HA LYS A 35 -7.689 6.139 4.862 1.00 74.04 H new ATOM 0 HB2 LYS A 35 -8.572 4.611 6.663 1.00 44.00 H new ATOM 0 HB3 LYS A 35 -9.098 6.023 7.557 1.00 44.00 H new ATOM 0 HG2 LYS A 35 -10.097 5.535 4.723 1.00 72.32 H new ATOM 0 HG3 LYS A 35 -10.837 4.713 6.082 1.00 72.32 H new ATOM 0 HD2 LYS A 35 -11.496 6.845 7.101 1.00 25.01 H new ATOM 0 HD3 LYS A 35 -10.587 7.752 5.908 1.00 25.01 H new ATOM 0 HE2 LYS A 35 -12.987 7.803 5.379 1.00 11.21 H new ATOM 0 HE3 LYS A 35 -12.099 6.977 4.114 1.00 11.21 H new ATOM 0 HZ1 LYS A 35 -13.298 5.164 4.430 1.00 22.53 H new ATOM 0 HZ2 LYS A 35 -12.942 5.122 6.090 1.00 22.53 H new ATOM 0 HZ3 LYS A 35 -14.265 6.026 5.527 1.00 22.53 H new ATOM 602 N GLN A 36 -8.069 8.617 4.728 1.00 74.51 N ATOM 603 CA GLN A 36 -8.435 10.034 4.578 1.00 52.44 C ATOM 604 C GLN A 36 -9.406 10.173 3.403 1.00 52.54 C ATOM 605 O GLN A 36 -8.981 10.160 2.241 1.00 61.31 O ATOM 606 CB GLN A 36 -7.164 10.916 4.373 1.00 14.31 C ATOM 607 CG GLN A 36 -6.206 10.916 5.584 1.00 3.11 C ATOM 608 CD GLN A 36 -6.840 11.492 6.855 1.00 31.44 C ATOM 609 OE1 GLN A 36 -7.626 12.440 6.807 1.00 63.43 O ATOM 610 NE2 GLN A 36 -6.555 10.889 7.999 1.00 45.44 N ATOM 0 H GLN A 36 -7.797 8.169 3.853 1.00 74.51 H new ATOM 0 HA GLN A 36 -8.924 10.384 5.487 1.00 52.44 H new ATOM 0 HB2 GLN A 36 -6.625 10.562 3.494 1.00 14.31 H new ATOM 0 HB3 GLN A 36 -7.473 11.940 4.166 1.00 14.31 H new ATOM 0 HG2 GLN A 36 -5.878 9.895 5.780 1.00 3.11 H new ATOM 0 HG3 GLN A 36 -5.316 11.494 5.335 1.00 3.11 H new ATOM 0 HE21 GLN A 36 -5.901 10.106 8.014 1.00 45.44 H new ATOM 0 HE22 GLN A 36 -6.989 11.207 8.865 1.00 45.44 H new ATOM 619 N GLY A 37 -10.710 10.254 3.736 1.00 11.41 N ATOM 620 CA GLY A 37 -11.781 10.400 2.754 1.00 72.30 C ATOM 621 C GLY A 37 -11.884 9.211 1.808 1.00 11.32 C ATOM 622 O GLY A 37 -12.408 8.154 2.172 1.00 61.34 O ATOM 0 H GLY A 37 -11.042 10.219 4.700 1.00 11.41 H new ATOM 0 HA2 GLY A 37 -12.730 10.527 3.275 1.00 72.30 H new ATOM 0 HA3 GLY A 37 -11.613 11.307 2.173 1.00 72.30 H new ATOM 626 N ASN A 38 -11.379 9.387 0.589 1.00 22.11 N ATOM 627 CA ASN A 38 -11.282 8.316 -0.413 1.00 2.31 C ATOM 628 C ASN A 38 -9.876 7.713 -0.394 1.00 54.35 C ATOM 629 O ASN A 38 -9.711 6.494 -0.510 1.00 55.32 O ATOM 630 CB ASN A 38 -11.594 8.867 -1.828 1.00 63.22 C ATOM 631 CG ASN A 38 -13.011 9.429 -1.965 1.00 33.23 C ATOM 632 OD1 ASN A 38 -13.962 8.582 -2.330 1.00 4.01 O flip ATOM 633 ND2 ASN A 38 -13.254 10.611 -1.729 1.00 4.21 N flip ATOM 0 H ASN A 38 -11.021 10.284 0.261 1.00 22.11 H new ATOM 0 HA ASN A 38 -12.011 7.544 -0.168 1.00 2.31 H new ATOM 0 HB2 ASN A 38 -10.876 9.650 -2.071 1.00 63.22 H new ATOM 0 HB3 ASN A 38 -11.455 8.070 -2.558 1.00 63.22 H new ATOM 0 HD21 ASN A 38 -12.502 11.240 -1.450 1.00 4.21 H new ATOM 0 HD22 ASN A 38 -14.208 10.962 -1.812 1.00 4.21 H new ATOM 640 N THR A 39 -8.863 8.585 -0.238 1.00 3.02 N ATOM 641 CA THR A 39 -7.456 8.211 -0.364 1.00 34.14 C ATOM 642 C THR A 39 -6.947 7.551 0.932 1.00 31.24 C ATOM 643 O THR A 39 -6.615 8.237 1.912 1.00 60.31 O ATOM 644 CB THR A 39 -6.563 9.446 -0.723 1.00 42.24 C ATOM 645 OG1 THR A 39 -7.163 10.183 -1.798 1.00 0.30 O ATOM 646 CG2 THR A 39 -5.134 9.027 -1.146 1.00 54.02 C ATOM 0 H THR A 39 -9.006 9.571 -0.020 1.00 3.02 H new ATOM 0 HA THR A 39 -7.383 7.491 -1.179 1.00 34.14 H new ATOM 0 HB THR A 39 -6.489 10.062 0.173 1.00 42.24 H new ATOM 0 HG1 THR A 39 -6.602 10.956 -2.018 1.00 0.30 H new ATOM 0 HG21 THR A 39 -4.550 9.916 -1.386 1.00 54.02 H new ATOM 0 HG22 THR A 39 -4.656 8.488 -0.328 1.00 54.02 H new ATOM 0 HG23 THR A 39 -5.189 8.381 -2.023 1.00 54.02 H new ATOM 654 N ILE A 40 -6.956 6.218 0.946 1.00 25.40 N ATOM 655 CA ILE A 40 -6.298 5.436 1.986 1.00 44.32 C ATOM 656 C ILE A 40 -4.832 5.199 1.594 1.00 53.31 C ATOM 657 O ILE A 40 -4.539 4.417 0.682 1.00 32.22 O ATOM 658 CB ILE A 40 -7.024 4.069 2.227 1.00 4.12 C ATOM 659 CG1 ILE A 40 -8.521 4.320 2.560 1.00 64.02 C ATOM 660 CG2 ILE A 40 -6.333 3.255 3.350 1.00 40.45 C ATOM 661 CD1 ILE A 40 -9.296 3.084 2.947 1.00 23.23 C ATOM 0 H ILE A 40 -7.420 5.652 0.235 1.00 25.40 H new ATOM 0 HA ILE A 40 -6.344 5.998 2.919 1.00 44.32 H new ATOM 0 HB ILE A 40 -6.961 3.477 1.314 1.00 4.12 H new ATOM 0 HG12 ILE A 40 -8.582 5.041 3.375 1.00 64.02 H new ATOM 0 HG13 ILE A 40 -9.000 4.777 1.694 1.00 64.02 H new ATOM 0 HG21 ILE A 40 -6.861 2.312 3.493 1.00 40.45 H new ATOM 0 HG22 ILE A 40 -5.299 3.054 3.070 1.00 40.45 H new ATOM 0 HG23 ILE A 40 -6.353 3.826 4.278 1.00 40.45 H new ATOM 0 HD11 ILE A 40 -10.330 3.355 3.162 1.00 23.23 H new ATOM 0 HD12 ILE A 40 -9.272 2.367 2.126 1.00 23.23 H new ATOM 0 HD13 ILE A 40 -8.847 2.636 3.833 1.00 23.23 H new ATOM 673 N ARG A 41 -3.919 5.893 2.285 1.00 72.22 N ATOM 674 CA ARG A 41 -2.482 5.700 2.112 1.00 41.24 C ATOM 675 C ARG A 41 -2.037 4.578 3.058 1.00 63.34 C ATOM 676 O ARG A 41 -1.834 4.816 4.256 1.00 25.44 O ATOM 677 CB ARG A 41 -1.700 7.014 2.425 1.00 62.11 C ATOM 678 CG ARG A 41 -2.235 8.293 1.749 1.00 50.42 C ATOM 679 CD ARG A 41 -1.267 9.490 1.896 1.00 54.13 C ATOM 680 NE ARG A 41 -0.901 9.771 3.302 1.00 23.34 N ATOM 681 CZ ARG A 41 0.312 10.190 3.728 1.00 65.42 C ATOM 682 NH1 ARG A 41 1.317 10.384 2.877 1.00 15.11 N ATOM 683 NH2 ARG A 41 0.509 10.426 5.015 1.00 0.11 N ATOM 0 H ARG A 41 -4.160 6.602 2.978 1.00 72.22 H new ATOM 0 HA ARG A 41 -2.269 5.432 1.077 1.00 41.24 H new ATOM 0 HB2 ARG A 41 -1.704 7.168 3.504 1.00 62.11 H new ATOM 0 HB3 ARG A 41 -0.661 6.876 2.126 1.00 62.11 H new ATOM 0 HG2 ARG A 41 -2.406 8.096 0.691 1.00 50.42 H new ATOM 0 HG3 ARG A 41 -3.199 8.554 2.185 1.00 50.42 H new ATOM 0 HD2 ARG A 41 -0.361 9.289 1.324 1.00 54.13 H new ATOM 0 HD3 ARG A 41 -1.728 10.378 1.462 1.00 54.13 H new ATOM 0 HE ARG A 41 -1.624 9.637 4.009 1.00 23.34 H new ATOM 0 HH11 ARG A 41 1.181 10.216 1.880 1.00 15.11 H new ATOM 0 HH12 ARG A 41 2.223 10.700 3.222 1.00 15.11 H new ATOM 0 HH21 ARG A 41 -0.252 10.292 5.680 1.00 0.11 H new ATOM 0 HH22 ARG A 41 1.422 10.742 5.342 1.00 0.11 H new ATOM 697 N VAL A 42 -1.949 3.341 2.549 1.00 74.41 N ATOM 698 CA VAL A 42 -1.472 2.205 3.351 1.00 21.24 C ATOM 699 C VAL A 42 0.053 2.201 3.350 1.00 54.42 C ATOM 700 O VAL A 42 0.682 2.150 2.290 1.00 43.02 O ATOM 701 CB VAL A 42 -2.004 0.816 2.848 1.00 73.12 C ATOM 702 CG1 VAL A 42 -1.525 -0.336 3.768 1.00 23.34 C ATOM 703 CG2 VAL A 42 -3.534 0.819 2.745 1.00 21.40 C ATOM 0 H VAL A 42 -2.201 3.102 1.590 1.00 74.41 H new ATOM 0 HA VAL A 42 -1.864 2.338 4.359 1.00 21.24 H new ATOM 0 HB VAL A 42 -1.593 0.647 1.853 1.00 73.12 H new ATOM 0 HG11 VAL A 42 -1.910 -1.285 3.394 1.00 23.34 H new ATOM 0 HG12 VAL A 42 -0.435 -0.365 3.778 1.00 23.34 H new ATOM 0 HG13 VAL A 42 -1.893 -0.170 4.781 1.00 23.34 H new ATOM 0 HG21 VAL A 42 -3.877 -0.154 2.394 1.00 21.40 H new ATOM 0 HG22 VAL A 42 -3.964 1.024 3.725 1.00 21.40 H new ATOM 0 HG23 VAL A 42 -3.850 1.590 2.042 1.00 21.40 H new ATOM 713 N GLU A 43 0.623 2.285 4.544 1.00 62.41 N ATOM 714 CA GLU A 43 2.066 2.214 4.758 1.00 52.35 C ATOM 715 C GLU A 43 2.473 0.743 4.964 1.00 1.54 C ATOM 716 O GLU A 43 1.999 0.085 5.889 1.00 62.42 O ATOM 717 CB GLU A 43 2.447 3.075 5.987 1.00 74.15 C ATOM 718 CG GLU A 43 1.975 4.547 5.904 1.00 15.41 C ATOM 719 CD GLU A 43 2.275 5.358 7.177 1.00 43.41 C ATOM 720 OE1 GLU A 43 1.327 5.773 7.883 1.00 13.11 O ATOM 721 OE2 GLU A 43 3.466 5.573 7.488 1.00 13.34 O ATOM 0 H GLU A 43 0.090 2.406 5.405 1.00 62.41 H new ATOM 0 HA GLU A 43 2.597 2.604 3.890 1.00 52.35 H new ATOM 0 HB2 GLU A 43 2.022 2.619 6.881 1.00 74.15 H new ATOM 0 HB3 GLU A 43 3.530 3.059 6.105 1.00 74.15 H new ATOM 0 HG2 GLU A 43 2.458 5.028 5.053 1.00 15.41 H new ATOM 0 HG3 GLU A 43 0.902 4.566 5.714 1.00 15.41 H new ATOM 728 N LEU A 44 3.314 0.212 4.078 1.00 45.40 N ATOM 729 CA LEU A 44 3.838 -1.167 4.201 1.00 52.24 C ATOM 730 C LEU A 44 5.369 -1.114 4.222 1.00 74.12 C ATOM 731 O LEU A 44 5.955 -0.109 3.849 1.00 11.43 O ATOM 732 CB LEU A 44 3.318 -2.108 3.068 1.00 63.23 C ATOM 733 CG LEU A 44 1.781 -2.031 2.733 1.00 22.11 C ATOM 734 CD1 LEU A 44 1.488 -0.922 1.705 1.00 13.41 C ATOM 735 CD2 LEU A 44 1.216 -3.383 2.253 1.00 31.44 C ATOM 0 H LEU A 44 3.655 0.712 3.257 1.00 45.40 H new ATOM 0 HA LEU A 44 3.471 -1.594 5.134 1.00 52.24 H new ATOM 0 HB2 LEU A 44 3.876 -1.886 2.158 1.00 63.23 H new ATOM 0 HB3 LEU A 44 3.555 -3.136 3.344 1.00 63.23 H new ATOM 0 HG LEU A 44 1.272 -1.781 3.664 1.00 22.11 H new ATOM 0 HD11 LEU A 44 0.419 -0.894 1.495 1.00 13.41 H new ATOM 0 HD12 LEU A 44 1.804 0.040 2.108 1.00 13.41 H new ATOM 0 HD13 LEU A 44 2.034 -1.126 0.784 1.00 13.41 H new ATOM 0 HD21 LEU A 44 0.153 -3.277 2.035 1.00 31.44 H new ATOM 0 HD22 LEU A 44 1.742 -3.697 1.351 1.00 31.44 H new ATOM 0 HD23 LEU A 44 1.353 -4.132 3.033 1.00 31.44 H new ATOM 747 N GLU A 45 6.004 -2.202 4.650 1.00 2.33 N ATOM 748 CA GLU A 45 7.443 -2.244 4.935 1.00 62.21 C ATOM 749 C GLU A 45 8.080 -3.394 4.126 1.00 61.31 C ATOM 750 O GLU A 45 7.801 -4.577 4.363 1.00 43.31 O ATOM 751 CB GLU A 45 7.634 -2.402 6.471 1.00 13.31 C ATOM 752 CG GLU A 45 9.085 -2.254 6.979 1.00 70.52 C ATOM 753 CD GLU A 45 9.187 -2.252 8.519 1.00 4.33 C ATOM 754 OE1 GLU A 45 9.160 -3.341 9.127 1.00 42.42 O ATOM 755 OE2 GLU A 45 9.288 -1.167 9.132 1.00 53.55 O ATOM 0 H GLU A 45 5.532 -3.092 4.812 1.00 2.33 H new ATOM 0 HA GLU A 45 7.944 -1.324 4.633 1.00 62.21 H new ATOM 0 HB2 GLU A 45 7.014 -1.661 6.975 1.00 13.31 H new ATOM 0 HB3 GLU A 45 7.262 -3.383 6.767 1.00 13.31 H new ATOM 0 HG2 GLU A 45 9.688 -3.070 6.581 1.00 70.52 H new ATOM 0 HG3 GLU A 45 9.507 -1.327 6.591 1.00 70.52 H new ATOM 762 N LEU A 46 8.905 -3.009 3.150 1.00 21.20 N ATOM 763 CA LEU A 46 9.496 -3.902 2.135 1.00 52.45 C ATOM 764 C LEU A 46 11.028 -3.823 2.253 1.00 61.02 C ATOM 765 O LEU A 46 11.572 -2.727 2.393 1.00 52.55 O ATOM 766 CB LEU A 46 8.970 -3.425 0.740 1.00 24.44 C ATOM 767 CG LEU A 46 9.415 -4.194 -0.557 1.00 45.43 C ATOM 768 CD1 LEU A 46 8.415 -3.967 -1.703 1.00 44.21 C ATOM 769 CD2 LEU A 46 10.822 -3.774 -1.040 1.00 62.14 C ATOM 0 H LEU A 46 9.193 -2.037 3.035 1.00 21.20 H new ATOM 0 HA LEU A 46 9.215 -4.946 2.272 1.00 52.45 H new ATOM 0 HB2 LEU A 46 7.881 -3.447 0.776 1.00 24.44 H new ATOM 0 HB3 LEU A 46 9.263 -2.382 0.619 1.00 24.44 H new ATOM 0 HG LEU A 46 9.442 -5.250 -0.287 1.00 45.43 H new ATOM 0 HD11 LEU A 46 8.747 -4.510 -2.588 1.00 44.21 H new ATOM 0 HD12 LEU A 46 7.431 -4.327 -1.404 1.00 44.21 H new ATOM 0 HD13 LEU A 46 8.358 -2.903 -1.931 1.00 44.21 H new ATOM 0 HD21 LEU A 46 11.081 -4.335 -1.938 1.00 62.14 H new ATOM 0 HD22 LEU A 46 10.826 -2.707 -1.264 1.00 62.14 H new ATOM 0 HD23 LEU A 46 11.552 -3.983 -0.259 1.00 62.14 H new ATOM 781 N ARG A 47 11.725 -4.972 2.167 1.00 72.35 N ATOM 782 CA ARG A 47 13.199 -5.003 2.301 1.00 32.14 C ATOM 783 C ARG A 47 13.841 -5.108 0.901 1.00 33.31 C ATOM 784 O ARG A 47 13.959 -6.201 0.348 1.00 11.12 O ATOM 785 CB ARG A 47 13.641 -6.210 3.185 1.00 51.24 C ATOM 786 CG ARG A 47 12.886 -6.359 4.524 1.00 10.53 C ATOM 787 CD ARG A 47 13.297 -7.632 5.296 1.00 42.34 C ATOM 788 NE ARG A 47 13.211 -8.850 4.458 1.00 32.22 N ATOM 789 CZ ARG A 47 12.560 -9.984 4.779 1.00 41.23 C ATOM 790 NH1 ARG A 47 11.891 -10.104 5.926 1.00 74.22 N ATOM 791 NH2 ARG A 47 12.582 -11.006 3.940 1.00 34.23 N ATOM 0 H ARG A 47 11.298 -5.885 2.007 1.00 72.35 H new ATOM 0 HA ARG A 47 13.531 -4.084 2.783 1.00 32.14 H new ATOM 0 HB2 ARG A 47 13.512 -7.127 2.610 1.00 51.24 H new ATOM 0 HB3 ARG A 47 14.706 -6.114 3.396 1.00 51.24 H new ATOM 0 HG2 ARG A 47 13.078 -5.484 5.145 1.00 10.53 H new ATOM 0 HG3 ARG A 47 11.813 -6.385 4.332 1.00 10.53 H new ATOM 0 HD2 ARG A 47 14.317 -7.518 5.664 1.00 42.34 H new ATOM 0 HD3 ARG A 47 12.655 -7.748 6.169 1.00 42.34 H new ATOM 0 HE ARG A 47 13.688 -8.828 3.557 1.00 32.22 H new ATOM 0 HH11 ARG A 47 11.864 -9.326 6.585 1.00 74.22 H new ATOM 0 HH12 ARG A 47 11.406 -10.974 6.145 1.00 74.22 H new ATOM 0 HH21 ARG A 47 13.089 -10.931 3.058 1.00 34.23 H new ATOM 0 HH22 ARG A 47 12.092 -11.869 4.175 1.00 34.23 H new ATOM 862 N LYS A 52 15.689 -2.378 4.700 1.00 20.44 N ATOM 863 CA LYS A 52 14.283 -2.355 5.126 1.00 41.41 C ATOM 864 C LYS A 52 13.737 -0.928 4.970 1.00 54.41 C ATOM 865 O LYS A 52 13.979 -0.052 5.815 1.00 41.14 O ATOM 866 CB LYS A 52 14.156 -2.851 6.590 1.00 71.21 C ATOM 867 CG LYS A 52 12.709 -3.158 7.034 1.00 22.12 C ATOM 868 CD LYS A 52 12.593 -3.475 8.545 1.00 52.54 C ATOM 869 CE LYS A 52 12.931 -2.265 9.435 1.00 21.55 C ATOM 870 NZ LYS A 52 12.709 -2.552 10.880 1.00 22.54 N ATOM 0 HA LYS A 52 13.695 -3.027 4.501 1.00 41.41 H new ATOM 0 HB2 LYS A 52 14.759 -3.751 6.710 1.00 71.21 H new ATOM 0 HB3 LYS A 52 14.575 -2.096 7.255 1.00 71.21 H new ATOM 0 HG2 LYS A 52 12.074 -2.304 6.798 1.00 22.12 H new ATOM 0 HG3 LYS A 52 12.331 -4.005 6.461 1.00 22.12 H new ATOM 0 HD2 LYS A 52 11.579 -3.810 8.765 1.00 52.54 H new ATOM 0 HD3 LYS A 52 13.262 -4.300 8.791 1.00 52.54 H new ATOM 0 HE2 LYS A 52 13.971 -1.980 9.278 1.00 21.55 H new ATOM 0 HE3 LYS A 52 12.319 -1.414 9.137 1.00 21.55 H new ATOM 0 HZ1 LYS A 52 12.949 -1.710 11.442 1.00 22.54 H new ATOM 0 HZ2 LYS A 52 11.711 -2.799 11.036 1.00 22.54 H new ATOM 0 HZ3 LYS A 52 13.312 -3.347 11.173 1.00 22.54 H new ATOM 884 N GLU A 53 13.035 -0.700 3.860 1.00 64.32 N ATOM 885 CA GLU A 53 12.507 0.618 3.480 1.00 13.01 C ATOM 886 C GLU A 53 10.981 0.648 3.636 1.00 72.13 C ATOM 887 O GLU A 53 10.281 -0.285 3.232 1.00 45.54 O ATOM 888 CB GLU A 53 12.916 0.947 2.023 1.00 63.13 C ATOM 889 CG GLU A 53 14.444 0.936 1.796 1.00 64.32 C ATOM 890 CD GLU A 53 14.866 1.409 0.401 1.00 34.03 C ATOM 891 OE1 GLU A 53 15.486 2.490 0.276 1.00 33.15 O ATOM 892 OE2 GLU A 53 14.569 0.703 -0.585 1.00 62.42 O ATOM 0 H GLU A 53 12.812 -1.434 3.187 1.00 64.32 H new ATOM 0 HA GLU A 53 12.930 1.375 4.141 1.00 13.01 H new ATOM 0 HB2 GLU A 53 12.451 0.225 1.351 1.00 63.13 H new ATOM 0 HB3 GLU A 53 12.524 1.928 1.756 1.00 63.13 H new ATOM 0 HG2 GLU A 53 14.917 1.572 2.544 1.00 64.32 H new ATOM 0 HG3 GLU A 53 14.818 -0.075 1.955 1.00 64.32 H new ATOM 899 N ASN A 54 10.482 1.733 4.240 1.00 1.31 N ATOM 900 CA ASN A 54 9.049 1.940 4.473 1.00 2.11 C ATOM 901 C ASN A 54 8.402 2.640 3.266 1.00 20.53 C ATOM 902 O ASN A 54 8.794 3.736 2.895 1.00 31.35 O ATOM 903 CB ASN A 54 8.847 2.770 5.768 1.00 74.02 C ATOM 904 CG ASN A 54 9.272 2.003 7.018 1.00 71.04 C ATOM 905 OD1 ASN A 54 10.421 2.091 7.458 1.00 74.54 O ATOM 906 ND2 ASN A 54 8.350 1.239 7.594 1.00 44.31 N ATOM 0 H ASN A 54 11.065 2.496 4.583 1.00 1.31 H new ATOM 0 HA ASN A 54 8.563 0.972 4.597 1.00 2.11 H new ATOM 0 HB2 ASN A 54 9.421 3.694 5.698 1.00 74.02 H new ATOM 0 HB3 ASN A 54 7.798 3.052 5.856 1.00 74.02 H new ATOM 0 HD21 ASN A 54 8.583 0.701 8.428 1.00 44.31 H new ATOM 0 HD22 ASN A 54 7.410 1.191 7.202 1.00 44.31 H new ATOM 913 N TYR A 55 7.411 1.982 2.667 1.00 12.43 N ATOM 914 CA TYR A 55 6.637 2.513 1.532 1.00 24.43 C ATOM 915 C TYR A 55 5.249 2.961 2.013 1.00 25.35 C ATOM 916 O TYR A 55 4.769 2.521 3.055 1.00 3.04 O ATOM 917 CB TYR A 55 6.456 1.428 0.433 1.00 43.32 C ATOM 918 CG TYR A 55 7.747 0.969 -0.271 1.00 40.31 C ATOM 919 CD1 TYR A 55 7.998 1.280 -1.613 1.00 12.20 C ATOM 920 CD2 TYR A 55 8.702 0.212 0.401 1.00 43.01 C ATOM 921 CE1 TYR A 55 9.146 0.843 -2.247 1.00 34.42 C ATOM 922 CE2 TYR A 55 9.851 -0.219 -0.227 1.00 53.33 C ATOM 923 CZ TYR A 55 10.070 0.092 -1.550 1.00 53.33 C ATOM 924 OH TYR A 55 11.222 -0.334 -2.179 1.00 65.31 O ATOM 0 H TYR A 55 7.114 1.050 2.956 1.00 12.43 H new ATOM 0 HA TYR A 55 7.183 3.359 1.116 1.00 24.43 H new ATOM 0 HB2 TYR A 55 5.980 0.557 0.883 1.00 43.32 H new ATOM 0 HB3 TYR A 55 5.769 1.812 -0.321 1.00 43.32 H new ATOM 0 HD1 TYR A 55 7.281 1.872 -2.163 1.00 12.20 H new ATOM 0 HD2 TYR A 55 8.539 -0.044 1.438 1.00 43.01 H new ATOM 0 HE1 TYR A 55 9.319 1.089 -3.284 1.00 34.42 H new ATOM 0 HE2 TYR A 55 10.579 -0.801 0.319 1.00 53.33 H new ATOM 0 HH TYR A 55 11.869 -0.636 -1.508 1.00 65.31 H new ATOM 934 N THR A 56 4.630 3.855 1.240 1.00 32.13 N ATOM 935 CA THR A 56 3.260 4.302 1.449 1.00 44.04 C ATOM 936 C THR A 56 2.544 4.288 0.090 1.00 70.33 C ATOM 937 O THR A 56 2.750 5.172 -0.746 1.00 33.43 O ATOM 938 CB THR A 56 3.240 5.738 2.074 1.00 32.11 C ATOM 939 OG1 THR A 56 3.954 5.743 3.327 1.00 22.34 O ATOM 940 CG2 THR A 56 1.808 6.255 2.293 1.00 41.21 C ATOM 0 H THR A 56 5.079 4.295 0.437 1.00 32.13 H new ATOM 0 HA THR A 56 2.749 3.637 2.145 1.00 44.04 H new ATOM 0 HB THR A 56 3.730 6.406 1.366 1.00 32.11 H new ATOM 0 HG1 THR A 56 3.937 6.645 3.709 1.00 22.34 H new ATOM 0 HG21 THR A 56 1.844 7.254 2.728 1.00 41.21 H new ATOM 0 HG22 THR A 56 1.285 6.294 1.337 1.00 41.21 H new ATOM 0 HG23 THR A 56 1.278 5.584 2.969 1.00 41.21 H new ATOM 948 N VAL A 57 1.709 3.268 -0.132 1.00 10.31 N ATOM 949 CA VAL A 57 0.967 3.113 -1.380 1.00 22.40 C ATOM 950 C VAL A 57 -0.372 3.843 -1.216 1.00 74.32 C ATOM 951 O VAL A 57 -1.262 3.388 -0.480 1.00 61.14 O ATOM 952 CB VAL A 57 0.733 1.596 -1.730 1.00 0.44 C ATOM 953 CG1 VAL A 57 -0.003 1.432 -3.080 1.00 61.13 C ATOM 954 CG2 VAL A 57 2.064 0.813 -1.733 1.00 31.42 C ATOM 0 H VAL A 57 1.531 2.530 0.549 1.00 10.31 H new ATOM 0 HA VAL A 57 1.539 3.538 -2.204 1.00 22.40 H new ATOM 0 HB VAL A 57 0.095 1.178 -0.951 1.00 0.44 H new ATOM 0 HG11 VAL A 57 -0.147 0.372 -3.289 1.00 61.13 H new ATOM 0 HG12 VAL A 57 -0.973 1.927 -3.028 1.00 61.13 H new ATOM 0 HG13 VAL A 57 0.592 1.881 -3.875 1.00 61.13 H new ATOM 0 HG21 VAL A 57 1.871 -0.231 -1.978 1.00 31.42 H new ATOM 0 HG22 VAL A 57 2.737 1.242 -2.476 1.00 31.42 H new ATOM 0 HG23 VAL A 57 2.525 0.875 -0.747 1.00 31.42 H new ATOM 964 N GLU A 58 -0.460 5.011 -1.864 1.00 30.32 N ATOM 965 CA GLU A 58 -1.645 5.865 -1.836 1.00 32.35 C ATOM 966 C GLU A 58 -2.711 5.277 -2.771 1.00 32.12 C ATOM 967 O GLU A 58 -2.505 5.229 -3.982 1.00 2.41 O ATOM 968 CB GLU A 58 -1.274 7.311 -2.269 1.00 24.54 C ATOM 969 CG GLU A 58 -0.175 7.985 -1.409 1.00 24.32 C ATOM 970 CD GLU A 58 -0.028 9.503 -1.656 1.00 50.11 C ATOM 971 OE1 GLU A 58 1.105 9.994 -1.867 1.00 4.03 O ATOM 972 OE2 GLU A 58 -1.051 10.216 -1.615 1.00 62.31 O ATOM 0 H GLU A 58 0.301 5.391 -2.428 1.00 30.32 H new ATOM 0 HA GLU A 58 -2.042 5.907 -0.822 1.00 32.35 H new ATOM 0 HB2 GLU A 58 -0.942 7.290 -3.307 1.00 24.54 H new ATOM 0 HB3 GLU A 58 -2.172 7.928 -2.234 1.00 24.54 H new ATOM 0 HG2 GLU A 58 -0.399 7.819 -0.355 1.00 24.32 H new ATOM 0 HG3 GLU A 58 0.780 7.500 -1.612 1.00 24.32 H new ATOM 979 N VAL A 59 -3.809 4.774 -2.186 1.00 11.33 N ATOM 980 CA VAL A 59 -4.912 4.136 -2.930 1.00 32.22 C ATOM 981 C VAL A 59 -6.232 4.871 -2.619 1.00 31.04 C ATOM 982 O VAL A 59 -6.626 4.962 -1.465 1.00 22.10 O ATOM 983 CB VAL A 59 -5.057 2.615 -2.547 1.00 51.01 C ATOM 984 CG1 VAL A 59 -6.093 1.905 -3.444 1.00 2.22 C ATOM 985 CG2 VAL A 59 -3.696 1.877 -2.576 1.00 45.34 C ATOM 0 H VAL A 59 -3.960 4.797 -1.177 1.00 11.33 H new ATOM 0 HA VAL A 59 -4.687 4.200 -3.995 1.00 32.22 H new ATOM 0 HB VAL A 59 -5.422 2.580 -1.521 1.00 51.01 H new ATOM 0 HG11 VAL A 59 -6.169 0.857 -3.153 1.00 2.22 H new ATOM 0 HG12 VAL A 59 -7.065 2.385 -3.328 1.00 2.22 H new ATOM 0 HG13 VAL A 59 -5.778 1.971 -4.486 1.00 2.22 H new ATOM 0 HG21 VAL A 59 -3.843 0.831 -2.306 1.00 45.34 H new ATOM 0 HG22 VAL A 59 -3.271 1.936 -3.578 1.00 45.34 H new ATOM 0 HG23 VAL A 59 -3.014 2.343 -1.865 1.00 45.34 H new ATOM 995 N GLU A 60 -6.900 5.376 -3.659 1.00 13.53 N ATOM 996 CA GLU A 60 -8.137 6.178 -3.540 1.00 61.44 C ATOM 997 C GLU A 60 -9.369 5.353 -3.963 1.00 41.22 C ATOM 998 O GLU A 60 -9.271 4.508 -4.853 1.00 41.13 O ATOM 999 CB GLU A 60 -7.986 7.418 -4.447 1.00 63.20 C ATOM 1000 CG GLU A 60 -9.221 8.347 -4.542 1.00 62.13 C ATOM 1001 CD GLU A 60 -9.111 9.361 -5.689 1.00 72.30 C ATOM 1002 OE1 GLU A 60 -8.885 10.565 -5.433 1.00 24.50 O ATOM 1003 OE2 GLU A 60 -9.235 8.948 -6.861 1.00 70.25 O ATOM 0 H GLU A 60 -6.599 5.242 -4.624 1.00 13.53 H new ATOM 0 HA GLU A 60 -8.286 6.480 -2.503 1.00 61.44 H new ATOM 0 HB2 GLU A 60 -7.142 8.006 -4.087 1.00 63.20 H new ATOM 0 HB3 GLU A 60 -7.733 7.079 -5.452 1.00 63.20 H new ATOM 0 HG2 GLU A 60 -10.116 7.741 -4.682 1.00 62.13 H new ATOM 0 HG3 GLU A 60 -9.342 8.882 -3.600 1.00 62.13 H new ATOM 1010 N ARG A 61 -10.523 5.586 -3.304 1.00 35.44 N ATOM 1011 CA ARG A 61 -11.809 5.003 -3.728 1.00 22.25 C ATOM 1012 C ARG A 61 -12.333 5.745 -4.964 1.00 32.31 C ATOM 1013 O ARG A 61 -12.529 6.965 -4.922 1.00 1.31 O ATOM 1014 CB ARG A 61 -12.867 5.085 -2.591 1.00 52.31 C ATOM 1015 CG ARG A 61 -14.269 4.510 -2.954 1.00 45.34 C ATOM 1016 CD ARG A 61 -14.329 2.962 -2.968 1.00 73.03 C ATOM 1017 NE ARG A 61 -14.588 2.399 -1.631 1.00 75.10 N ATOM 1018 CZ ARG A 61 -14.898 1.113 -1.366 1.00 43.11 C ATOM 1019 NH1 ARG A 61 -14.982 0.209 -2.341 1.00 52.24 N ATOM 1020 NH2 ARG A 61 -15.128 0.739 -0.113 1.00 61.20 N ATOM 0 H ARG A 61 -10.588 6.176 -2.474 1.00 35.44 H new ATOM 0 HA ARG A 61 -11.640 3.953 -3.968 1.00 22.25 H new ATOM 0 HB2 ARG A 61 -12.486 4.550 -1.721 1.00 52.31 H new ATOM 0 HB3 ARG A 61 -12.984 6.128 -2.298 1.00 52.31 H new ATOM 0 HG2 ARG A 61 -15.001 4.886 -2.239 1.00 45.34 H new ATOM 0 HG3 ARG A 61 -14.561 4.884 -3.935 1.00 45.34 H new ATOM 0 HD2 ARG A 61 -15.111 2.637 -3.654 1.00 73.03 H new ATOM 0 HD3 ARG A 61 -13.387 2.568 -3.349 1.00 73.03 H new ATOM 0 HE ARG A 61 -14.528 3.037 -0.837 1.00 75.10 H new ATOM 0 HH11 ARG A 61 -14.811 0.484 -3.308 1.00 52.24 H new ATOM 0 HH12 ARG A 61 -15.218 -0.759 -2.120 1.00 52.24 H new ATOM 0 HH21 ARG A 61 -15.070 1.422 0.642 1.00 61.20 H new ATOM 0 HH22 ARG A 61 -15.363 -0.232 0.095 1.00 61.20 H new ATOM 1034 N GLN A 62 -12.535 5.001 -6.053 1.00 63.30 N ATOM 1035 CA GLN A 62 -13.266 5.486 -7.232 1.00 24.45 C ATOM 1036 C GLN A 62 -14.518 4.618 -7.420 1.00 44.43 C ATOM 1037 O GLN A 62 -14.428 3.481 -7.903 1.00 15.35 O ATOM 1038 CB GLN A 62 -12.367 5.474 -8.505 1.00 43.33 C ATOM 1039 CG GLN A 62 -11.287 6.582 -8.517 1.00 2.52 C ATOM 1040 CD GLN A 62 -10.528 6.696 -9.844 1.00 31.44 C ATOM 1041 OE1 GLN A 62 -10.356 5.718 -10.571 1.00 32.02 O ATOM 1042 NE2 GLN A 62 -10.045 7.890 -10.156 1.00 72.14 N ATOM 0 H GLN A 62 -12.197 4.043 -6.145 1.00 63.30 H new ATOM 0 HA GLN A 62 -13.563 6.523 -7.075 1.00 24.45 H new ATOM 0 HB2 GLN A 62 -11.879 4.503 -8.584 1.00 43.33 H new ATOM 0 HB3 GLN A 62 -12.999 5.586 -9.386 1.00 43.33 H new ATOM 0 HG2 GLN A 62 -11.760 7.539 -8.297 1.00 2.52 H new ATOM 0 HG3 GLN A 62 -10.573 6.388 -7.717 1.00 2.52 H new ATOM 0 HE21 GLN A 62 -10.203 8.683 -9.534 1.00 72.14 H new ATOM 0 HE22 GLN A 62 -9.515 8.016 -11.018 1.00 72.14 H new ATOM 1051 N GLY A 63 -15.680 5.160 -7.003 1.00 25.13 N ATOM 1052 CA GLY A 63 -16.951 4.444 -7.090 1.00 64.32 C ATOM 1053 C GLY A 63 -17.017 3.281 -6.113 1.00 63.12 C ATOM 1054 O GLY A 63 -17.134 3.493 -4.907 1.00 4.11 O ATOM 0 H GLY A 63 -15.755 6.095 -6.603 1.00 25.13 H new ATOM 0 HA2 GLY A 63 -17.770 5.134 -6.888 1.00 64.32 H new ATOM 0 HA3 GLY A 63 -17.089 4.073 -8.105 1.00 64.32 H new ATOM 1058 N ASN A 64 -16.904 2.054 -6.639 1.00 32.43 N ATOM 1059 CA ASN A 64 -16.897 0.820 -5.827 1.00 64.32 C ATOM 1060 C ASN A 64 -15.492 0.197 -5.816 1.00 43.21 C ATOM 1061 O ASN A 64 -15.166 -0.606 -4.939 1.00 25.31 O ATOM 1062 CB ASN A 64 -17.941 -0.186 -6.382 1.00 4.41 C ATOM 1063 CG ASN A 64 -18.131 -1.455 -5.527 1.00 34.32 C ATOM 1064 OD1 ASN A 64 -18.394 -2.535 -6.053 1.00 2.25 O ATOM 1065 ND2 ASN A 64 -18.047 -1.332 -4.203 1.00 61.25 N ATOM 0 H ASN A 64 -16.814 1.884 -7.641 1.00 32.43 H new ATOM 0 HA ASN A 64 -17.167 1.069 -4.801 1.00 64.32 H new ATOM 0 HB2 ASN A 64 -18.901 0.321 -6.473 1.00 4.41 H new ATOM 0 HB3 ASN A 64 -17.641 -0.483 -7.387 1.00 4.41 H new ATOM 0 HD21 ASN A 64 -18.202 -2.143 -3.605 1.00 61.25 H new ATOM 0 HD22 ASN A 64 -17.828 -0.427 -3.788 1.00 61.25 H new ATOM 1072 N THR A 65 -14.663 0.576 -6.801 1.00 44.44 N ATOM 1073 CA THR A 65 -13.304 0.044 -6.954 1.00 0.03 C ATOM 1074 C THR A 65 -12.266 0.944 -6.260 1.00 52.14 C ATOM 1075 O THR A 65 -12.587 2.023 -5.747 1.00 23.24 O ATOM 1076 CB THR A 65 -12.935 -0.121 -8.464 1.00 43.22 C ATOM 1077 OG1 THR A 65 -13.234 1.089 -9.178 1.00 70.24 O ATOM 1078 CG2 THR A 65 -13.683 -1.300 -9.111 1.00 1.51 C ATOM 0 H THR A 65 -14.918 1.260 -7.513 1.00 44.44 H new ATOM 0 HA THR A 65 -13.286 -0.935 -6.476 1.00 0.03 H new ATOM 0 HB THR A 65 -11.867 -0.330 -8.520 1.00 43.22 H new ATOM 0 HG1 THR A 65 -12.999 0.978 -10.123 1.00 70.24 H new ATOM 0 HG21 THR A 65 -13.398 -1.380 -10.160 1.00 1.51 H new ATOM 0 HG22 THR A 65 -13.424 -2.224 -8.593 1.00 1.51 H new ATOM 0 HG23 THR A 65 -14.758 -1.133 -9.038 1.00 1.51 H new ATOM 1086 N TRP A 66 -11.020 0.460 -6.245 1.00 20.12 N ATOM 1087 CA TRP A 66 -9.858 1.170 -5.691 1.00 55.10 C ATOM 1088 C TRP A 66 -8.857 1.466 -6.815 1.00 54.25 C ATOM 1089 O TRP A 66 -8.793 0.722 -7.795 1.00 11.51 O ATOM 1090 CB TRP A 66 -9.221 0.304 -4.571 1.00 53.41 C ATOM 1091 CG TRP A 66 -10.129 0.167 -3.368 1.00 64.20 C ATOM 1092 CD1 TRP A 66 -10.964 -0.876 -3.056 1.00 30.33 C ATOM 1093 CD2 TRP A 66 -10.322 1.148 -2.344 1.00 44.55 C ATOM 1094 NE1 TRP A 66 -11.648 -0.598 -1.899 1.00 11.44 N ATOM 1095 CE2 TRP A 66 -11.272 0.642 -1.448 1.00 23.10 C ATOM 1096 CE3 TRP A 66 -9.771 2.409 -2.101 1.00 72.55 C ATOM 1097 CZ2 TRP A 66 -11.684 1.353 -0.328 1.00 20.51 C ATOM 1098 CZ3 TRP A 66 -10.184 3.116 -0.991 1.00 32.41 C ATOM 1099 CH2 TRP A 66 -11.136 2.586 -0.117 1.00 73.15 C ATOM 0 H TRP A 66 -10.784 -0.456 -6.626 1.00 20.12 H new ATOM 0 HA TRP A 66 -10.164 2.121 -5.255 1.00 55.10 H new ATOM 0 HB2 TRP A 66 -8.992 -0.686 -4.966 1.00 53.41 H new ATOM 0 HB3 TRP A 66 -8.276 0.751 -4.262 1.00 53.41 H new ATOM 0 HD1 TRP A 66 -11.068 -1.782 -3.635 1.00 30.33 H new ATOM 0 HE1 TRP A 66 -12.325 -1.213 -1.448 1.00 11.44 H new ATOM 0 HE3 TRP A 66 -9.033 2.824 -2.772 1.00 72.55 H new ATOM 0 HZ2 TRP A 66 -12.414 0.944 0.354 1.00 20.51 H new ATOM 0 HZ3 TRP A 66 -9.766 4.092 -0.795 1.00 32.41 H new ATOM 0 HH2 TRP A 66 -11.445 3.163 0.742 1.00 73.15 H new ATOM 1110 N THR A 67 -8.094 2.558 -6.678 1.00 45.52 N ATOM 1111 CA THR A 67 -7.102 2.971 -7.680 1.00 15.40 C ATOM 1112 C THR A 67 -5.792 3.360 -6.974 1.00 51.34 C ATOM 1113 O THR A 67 -5.784 4.194 -6.068 1.00 4.34 O ATOM 1114 CB THR A 67 -7.646 4.152 -8.573 1.00 53.25 C ATOM 1115 OG1 THR A 67 -6.724 4.440 -9.634 1.00 72.34 O ATOM 1116 CG2 THR A 67 -7.919 5.444 -7.773 1.00 31.44 C ATOM 0 H THR A 67 -8.146 3.179 -5.871 1.00 45.52 H new ATOM 0 HA THR A 67 -6.906 2.133 -8.349 1.00 15.40 H new ATOM 0 HB THR A 67 -8.599 3.812 -8.978 1.00 53.25 H new ATOM 0 HG1 THR A 67 -7.074 5.173 -10.182 1.00 72.34 H new ATOM 0 HG21 THR A 67 -8.291 6.217 -8.446 1.00 31.44 H new ATOM 0 HG22 THR A 67 -8.664 5.244 -7.003 1.00 31.44 H new ATOM 0 HG23 THR A 67 -6.995 5.784 -7.305 1.00 31.44 H new ATOM 1124 N VAL A 68 -4.685 2.707 -7.345 1.00 62.03 N ATOM 1125 CA VAL A 68 -3.364 3.050 -6.810 1.00 62.25 C ATOM 1126 C VAL A 68 -2.887 4.350 -7.467 1.00 54.20 C ATOM 1127 O VAL A 68 -2.513 4.357 -8.644 1.00 43.14 O ATOM 1128 CB VAL A 68 -2.338 1.879 -7.014 1.00 45.04 C ATOM 1129 CG1 VAL A 68 -0.909 2.264 -6.544 1.00 72.24 C ATOM 1130 CG2 VAL A 68 -2.846 0.610 -6.291 1.00 62.41 C ATOM 0 H VAL A 68 -4.679 1.937 -8.014 1.00 62.03 H new ATOM 0 HA VAL A 68 -3.438 3.203 -5.733 1.00 62.25 H new ATOM 0 HB VAL A 68 -2.265 1.674 -8.082 1.00 45.04 H new ATOM 0 HG11 VAL A 68 -0.234 1.423 -6.705 1.00 72.24 H new ATOM 0 HG12 VAL A 68 -0.558 3.125 -7.113 1.00 72.24 H new ATOM 0 HG13 VAL A 68 -0.930 2.515 -5.483 1.00 72.24 H new ATOM 0 HG21 VAL A 68 -2.132 -0.201 -6.434 1.00 62.41 H new ATOM 0 HG22 VAL A 68 -2.952 0.816 -5.226 1.00 62.41 H new ATOM 0 HG23 VAL A 68 -3.813 0.319 -6.702 1.00 62.41 H new ATOM 1140 N LYS A 69 -2.976 5.445 -6.701 1.00 15.35 N ATOM 1141 CA LYS A 69 -2.576 6.786 -7.140 1.00 33.23 C ATOM 1142 C LYS A 69 -1.064 6.827 -7.409 1.00 24.15 C ATOM 1143 O LYS A 69 -0.626 7.204 -8.505 1.00 14.31 O ATOM 1144 CB LYS A 69 -2.957 7.829 -6.052 1.00 64.43 C ATOM 1145 CG LYS A 69 -4.469 7.916 -5.739 1.00 14.35 C ATOM 1146 CD LYS A 69 -5.346 8.366 -6.939 1.00 51.23 C ATOM 1147 CE LYS A 69 -5.245 9.873 -7.280 1.00 74.03 C ATOM 1148 NZ LYS A 69 -3.909 10.297 -7.796 1.00 42.22 N ATOM 0 H LYS A 69 -3.333 5.423 -5.746 1.00 15.35 H new ATOM 0 HA LYS A 69 -3.099 7.029 -8.065 1.00 33.23 H new ATOM 0 HB2 LYS A 69 -2.423 7.586 -5.133 1.00 64.43 H new ATOM 0 HB3 LYS A 69 -2.609 8.811 -6.372 1.00 64.43 H new ATOM 0 HG2 LYS A 69 -4.814 6.940 -5.398 1.00 14.35 H new ATOM 0 HG3 LYS A 69 -4.618 8.613 -4.914 1.00 14.35 H new ATOM 0 HD2 LYS A 69 -5.061 7.788 -7.818 1.00 51.23 H new ATOM 0 HD3 LYS A 69 -6.387 8.125 -6.723 1.00 51.23 H new ATOM 0 HE2 LYS A 69 -6.003 10.117 -8.024 1.00 74.03 H new ATOM 0 HE3 LYS A 69 -5.477 10.452 -6.386 1.00 74.03 H new ATOM 0 HZ1 LYS A 69 -4.034 11.030 -8.523 1.00 42.22 H new ATOM 0 HZ2 LYS A 69 -3.340 10.678 -7.014 1.00 42.22 H new ATOM 0 HZ3 LYS A 69 -3.421 9.478 -8.212 1.00 42.22 H new ATOM 1162 N ARG A 70 -0.289 6.390 -6.408 1.00 44.33 N ATOM 1163 CA ARG A 70 1.176 6.323 -6.491 1.00 53.54 C ATOM 1164 C ARG A 70 1.719 5.425 -5.381 1.00 63.15 C ATOM 1165 O ARG A 70 1.086 5.267 -4.327 1.00 25.52 O ATOM 1166 CB ARG A 70 1.818 7.743 -6.401 1.00 4.32 C ATOM 1167 CG ARG A 70 1.495 8.530 -5.112 1.00 44.31 C ATOM 1168 CD ARG A 70 2.080 9.956 -5.120 1.00 22.50 C ATOM 1169 NE ARG A 70 3.562 9.978 -5.106 1.00 64.30 N ATOM 1170 CZ ARG A 70 4.321 10.348 -4.051 1.00 24.22 C ATOM 1171 NH1 ARG A 70 3.761 10.735 -2.906 1.00 15.13 N ATOM 1172 NH2 ARG A 70 5.645 10.342 -4.149 1.00 32.45 N ATOM 0 H ARG A 70 -0.662 6.072 -5.514 1.00 44.33 H new ATOM 0 HA ARG A 70 1.442 5.900 -7.460 1.00 53.54 H new ATOM 0 HB2 ARG A 70 2.900 7.641 -6.484 1.00 4.32 H new ATOM 0 HB3 ARG A 70 1.487 8.329 -7.258 1.00 4.32 H new ATOM 0 HG2 ARG A 70 0.414 8.587 -4.988 1.00 44.31 H new ATOM 0 HG3 ARG A 70 1.887 7.986 -4.252 1.00 44.31 H new ATOM 0 HD2 ARG A 70 1.723 10.483 -6.005 1.00 22.50 H new ATOM 0 HD3 ARG A 70 1.707 10.500 -4.252 1.00 22.50 H new ATOM 0 HE ARG A 70 4.046 9.692 -5.957 1.00 64.30 H new ATOM 0 HH11 ARG A 70 2.745 10.755 -2.816 1.00 15.13 H new ATOM 0 HH12 ARG A 70 4.348 11.011 -2.119 1.00 15.13 H new ATOM 0 HH21 ARG A 70 6.091 10.058 -5.021 1.00 32.45 H new ATOM 0 HH22 ARG A 70 6.217 10.622 -3.352 1.00 32.45 H new ATOM 1186 N ILE A 71 2.881 4.820 -5.637 1.00 22.02 N ATOM 1187 CA ILE A 71 3.646 4.100 -4.622 1.00 4.34 C ATOM 1188 C ILE A 71 4.799 4.998 -4.173 1.00 2.41 C ATOM 1189 O ILE A 71 5.732 5.258 -4.945 1.00 72.04 O ATOM 1190 CB ILE A 71 4.209 2.747 -5.169 1.00 34.42 C ATOM 1191 CG1 ILE A 71 3.055 1.851 -5.711 1.00 53.44 C ATOM 1192 CG2 ILE A 71 5.032 2.012 -4.082 1.00 63.33 C ATOM 1193 CD1 ILE A 71 3.521 0.628 -6.476 1.00 4.25 C ATOM 0 H ILE A 71 3.318 4.817 -6.559 1.00 22.02 H new ATOM 0 HA ILE A 71 2.989 3.860 -3.786 1.00 4.34 H new ATOM 0 HB ILE A 71 4.881 2.965 -5.999 1.00 34.42 H new ATOM 0 HG12 ILE A 71 2.438 1.527 -4.873 1.00 53.44 H new ATOM 0 HG13 ILE A 71 2.419 2.452 -6.362 1.00 53.44 H new ATOM 0 HG21 ILE A 71 5.413 1.074 -4.486 1.00 63.33 H new ATOM 0 HG22 ILE A 71 5.868 2.639 -3.772 1.00 63.33 H new ATOM 0 HG23 ILE A 71 4.395 1.804 -3.222 1.00 63.33 H new ATOM 0 HD11 ILE A 71 2.655 0.061 -6.817 1.00 4.25 H new ATOM 0 HD12 ILE A 71 4.112 0.941 -7.337 1.00 4.25 H new ATOM 0 HD13 ILE A 71 4.131 0.002 -5.825 1.00 4.25 H new ATOM 1205 N THR A 72 4.711 5.482 -2.945 1.00 20.43 N ATOM 1206 CA THR A 72 5.733 6.323 -2.328 1.00 50.53 C ATOM 1207 C THR A 72 6.720 5.417 -1.569 1.00 34.05 C ATOM 1208 O THR A 72 6.325 4.390 -1.035 1.00 52.13 O ATOM 1209 CB THR A 72 5.045 7.328 -1.339 1.00 42.11 C ATOM 1210 OG1 THR A 72 3.939 7.960 -2.002 1.00 54.01 O ATOM 1211 CG2 THR A 72 6.004 8.410 -0.809 1.00 52.42 C ATOM 0 H THR A 72 3.914 5.300 -2.335 1.00 20.43 H new ATOM 0 HA THR A 72 6.272 6.890 -3.087 1.00 50.53 H new ATOM 0 HB THR A 72 4.710 6.750 -0.478 1.00 42.11 H new ATOM 0 HG1 THR A 72 3.505 8.588 -1.388 1.00 54.01 H new ATOM 0 HG21 THR A 72 5.466 9.072 -0.131 1.00 52.42 H new ATOM 0 HG22 THR A 72 6.828 7.936 -0.276 1.00 52.42 H new ATOM 0 HG23 THR A 72 6.397 8.989 -1.645 1.00 52.42 H new ATOM 1219 N ARG A 73 8.006 5.760 -1.593 1.00 23.31 N ATOM 1220 CA ARG A 73 9.030 5.137 -0.729 1.00 33.50 C ATOM 1221 C ARG A 73 9.613 6.235 0.159 1.00 23.31 C ATOM 1222 O ARG A 73 9.742 7.375 -0.295 1.00 22.53 O ATOM 1223 CB ARG A 73 10.153 4.467 -1.579 1.00 54.32 C ATOM 1224 CG ARG A 73 11.281 3.805 -0.749 1.00 51.31 C ATOM 1225 CD ARG A 73 12.317 3.059 -1.612 1.00 4.41 C ATOM 1226 NE ARG A 73 12.996 3.936 -2.584 1.00 11.41 N ATOM 1227 CZ ARG A 73 14.232 3.741 -3.086 1.00 3.44 C ATOM 1228 NH1 ARG A 73 14.975 2.702 -2.715 1.00 60.22 N ATOM 1229 NH2 ARG A 73 14.712 4.594 -3.977 1.00 63.21 N ATOM 0 H ARG A 73 8.378 6.480 -2.212 1.00 23.31 H new ATOM 0 HA ARG A 73 8.578 4.352 -0.123 1.00 33.50 H new ATOM 0 HB2 ARG A 73 9.702 3.712 -2.222 1.00 54.32 H new ATOM 0 HB3 ARG A 73 10.594 5.220 -2.232 1.00 54.32 H new ATOM 0 HG2 ARG A 73 11.790 4.572 -0.165 1.00 51.31 H new ATOM 0 HG3 ARG A 73 10.838 3.105 -0.040 1.00 51.31 H new ATOM 0 HD2 ARG A 73 13.062 2.602 -0.961 1.00 4.41 H new ATOM 0 HD3 ARG A 73 11.821 2.249 -2.147 1.00 4.41 H new ATOM 0 HE ARG A 73 12.487 4.760 -2.904 1.00 11.41 H new ATOM 0 HH11 ARG A 73 14.612 2.032 -2.037 1.00 60.22 H new ATOM 0 HH12 ARG A 73 15.907 2.575 -3.109 1.00 60.22 H new ATOM 0 HH21 ARG A 73 14.148 5.389 -4.277 1.00 63.21 H new ATOM 0 HH22 ARG A 73 15.646 4.456 -4.363 1.00 63.21 H new ATOM 1243 N THR A 74 9.949 5.895 1.413 1.00 62.22 N ATOM 1244 CA THR A 74 10.593 6.829 2.350 1.00 75.53 C ATOM 1245 C THR A 74 11.922 7.341 1.755 1.00 20.25 C ATOM 1246 O THR A 74 12.593 6.599 1.009 1.00 4.50 O ATOM 1247 CB THR A 74 10.832 6.160 3.756 1.00 71.44 C ATOM 1248 OG1 THR A 74 11.322 7.129 4.693 1.00 43.13 O ATOM 1249 CG2 THR A 74 11.812 4.960 3.693 1.00 40.45 C ATOM 0 H THR A 74 9.783 4.968 1.805 1.00 62.22 H new ATOM 0 HA THR A 74 9.924 7.676 2.501 1.00 75.53 H new ATOM 0 HB THR A 74 9.866 5.776 4.085 1.00 71.44 H new ATOM 0 HG1 THR A 74 11.464 6.700 5.563 1.00 43.13 H new ATOM 0 HG21 THR A 74 11.938 4.540 4.691 1.00 40.45 H new ATOM 0 HG22 THR A 74 11.411 4.197 3.026 1.00 40.45 H new ATOM 0 HG23 THR A 74 12.778 5.298 3.318 1.00 40.45 H new