USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 618 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 80 TYR OH : rot -170:sc= 0.0549 USER MOD Set 1.2: A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 32 SER OG : rot -131:sc= 0.195 USER MOD Set 2.2: A 34 THR OG1 : rot 180:sc= -0.0111 USER MOD Set 2.3: A 35 THR OG1 : rot -168:sc= -0.577 USER MOD Set 3.1: A 16 SER OG : rot -159:sc= 0.0121 USER MOD Set 3.2: A 20 CYS SG : rot 86:sc= -0.433 USER MOD Set 3.3: A 54 SER OG : rot -70:sc= 1.02 USER MOD Single : A 6 SER OG : rot 150:sc= -0.615 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 14 MET CE :methyl -175:sc= -2.05 (180deg=-2.11!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.329 X(o=-0.33,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.194 K(o=-0.19,f=-2.1) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.174 K(o=-0.17,f=-1.9!) USER MOD Single : A 36 ASN : amide:sc= -1.74 K(o=-1.7,f=-7.2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 155:sc= -0.119 (180deg=-0.572) USER MOD Single : A 60 SER OG : rot -43:sc= 1.09 USER MOD Single : A 64 SER OG : rot 82:sc= 0.191 USER MOD Single : A 69 GLN : amide:sc= -0.0204 X(o=-0.02,f=-0.37) USER MOD Single : A 70 LYS NZ :NH3+ -146:sc= -0.0752 (180deg=-1.25) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 78 CYS SG : rot -28:sc= -0.284 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 6 -0.179 -11.867 -2.535 1.00 10.42 N ATOM 67 CA SER A 6 -1.032 -12.655 -1.652 1.00 13.32 C ATOM 68 C SER A 6 -0.783 -12.292 -0.191 1.00 1.55 C ATOM 69 O SER A 6 0.210 -12.711 0.402 1.00 70.20 O ATOM 70 CB SER A 6 -0.784 -14.149 -1.868 1.00 31.11 C ATOM 71 OG SER A 6 -1.642 -14.930 -1.055 1.00 12.30 O ATOM 0 HA SER A 6 -2.071 -12.428 -1.893 1.00 13.32 H new ATOM 0 HB2 SER A 6 -0.944 -14.400 -2.917 1.00 31.11 H new ATOM 0 HB3 SER A 6 0.255 -14.386 -1.638 1.00 31.11 H new ATOM 0 HG SER A 6 -1.832 -15.781 -1.503 1.00 12.30 H new ATOM 77 N GLU A 7 -1.693 -11.511 0.382 1.00 25.12 N ATOM 78 CA GLU A 7 -1.572 -11.091 1.773 1.00 23.40 C ATOM 79 C GLU A 7 -1.384 -12.296 2.690 1.00 11.43 C ATOM 80 O GLU A 7 -0.685 -12.217 3.700 1.00 4.20 O ATOM 81 CB GLU A 7 -2.810 -10.300 2.199 1.00 61.41 C ATOM 82 CG GLU A 7 -2.548 -9.326 3.335 1.00 52.15 C ATOM 83 CD GLU A 7 -1.966 -8.011 2.852 1.00 32.24 C ATOM 84 OE1 GLU A 7 -2.330 -7.572 1.742 1.00 63.30 O ATOM 85 OE2 GLU A 7 -1.147 -7.420 3.588 1.00 13.40 O ATOM 0 H GLU A 7 -2.522 -11.156 -0.095 1.00 25.12 H new ATOM 0 HA GLU A 7 -0.694 -10.451 1.858 1.00 23.40 H new ATOM 0 HB2 GLU A 7 -3.192 -9.749 1.340 1.00 61.41 H new ATOM 0 HB3 GLU A 7 -3.590 -10.998 2.503 1.00 61.41 H new ATOM 0 HG2 GLU A 7 -3.480 -9.133 3.866 1.00 52.15 H new ATOM 0 HG3 GLU A 7 -1.863 -9.782 4.049 1.00 52.15 H new ATOM 92 N GLU A 8 -2.014 -13.411 2.330 1.00 62.33 N ATOM 93 CA GLU A 8 -1.917 -14.631 3.122 1.00 22.01 C ATOM 94 C GLU A 8 -0.473 -15.119 3.195 1.00 45.53 C ATOM 95 O GLU A 8 0.050 -15.382 4.278 1.00 0.33 O ATOM 96 CB GLU A 8 -2.806 -15.725 2.526 1.00 5.22 C ATOM 97 CG GLU A 8 -2.882 -16.979 3.378 1.00 4.01 C ATOM 98 CD GLU A 8 -3.636 -18.104 2.695 1.00 65.32 C ATOM 99 OE1 GLU A 8 -4.754 -17.853 2.199 1.00 10.50 O ATOM 100 OE2 GLU A 8 -3.108 -19.235 2.656 1.00 20.33 O ATOM 0 H GLU A 8 -2.596 -13.494 1.496 1.00 62.33 H new ATOM 0 HA GLU A 8 -2.258 -14.405 4.132 1.00 22.01 H new ATOM 0 HB2 GLU A 8 -3.812 -15.329 2.388 1.00 5.22 H new ATOM 0 HB3 GLU A 8 -2.429 -15.990 1.538 1.00 5.22 H new ATOM 0 HG2 GLU A 8 -1.872 -17.315 3.615 1.00 4.01 H new ATOM 0 HG3 GLU A 8 -3.369 -16.742 4.324 1.00 4.01 H new ATOM 107 N ILE A 9 0.165 -15.237 2.035 1.00 60.43 N ATOM 108 CA ILE A 9 1.548 -15.693 1.967 1.00 52.14 C ATOM 109 C ILE A 9 2.506 -14.617 2.466 1.00 13.42 C ATOM 110 O ILE A 9 3.550 -14.919 3.043 1.00 51.22 O ATOM 111 CB ILE A 9 1.940 -16.088 0.531 1.00 32.12 C ATOM 112 CG1 ILE A 9 0.843 -16.946 -0.103 1.00 51.12 C ATOM 113 CG2 ILE A 9 3.267 -16.832 0.531 1.00 50.42 C ATOM 114 CD1 ILE A 9 1.189 -17.441 -1.489 1.00 72.45 C ATOM 0 H ILE A 9 -0.254 -15.023 1.130 1.00 60.43 H new ATOM 0 HA ILE A 9 1.624 -16.570 2.610 1.00 52.14 H new ATOM 0 HB ILE A 9 2.053 -15.180 -0.062 1.00 32.12 H new ATOM 0 HG12 ILE A 9 0.645 -17.803 0.541 1.00 51.12 H new ATOM 0 HG13 ILE A 9 -0.078 -16.365 -0.153 1.00 51.12 H new ATOM 0 HG21 ILE A 9 3.531 -17.105 -0.491 1.00 50.42 H new ATOM 0 HG22 ILE A 9 4.044 -16.191 0.948 1.00 50.42 H new ATOM 0 HG23 ILE A 9 3.178 -17.734 1.136 1.00 50.42 H new ATOM 0 HD11 ILE A 9 0.366 -18.042 -1.877 1.00 72.45 H new ATOM 0 HD12 ILE A 9 1.358 -16.589 -2.148 1.00 72.45 H new ATOM 0 HD13 ILE A 9 2.092 -18.049 -1.443 1.00 72.45 H new ATOM 126 N LYS A 10 2.142 -13.359 2.242 1.00 24.45 N ATOM 127 CA LYS A 10 2.967 -12.236 2.671 1.00 53.51 C ATOM 128 C LYS A 10 3.324 -12.356 4.149 1.00 24.33 C ATOM 129 O LYS A 10 4.452 -12.070 4.550 1.00 33.51 O ATOM 130 CB LYS A 10 2.237 -10.915 2.417 1.00 74.03 C ATOM 131 CG LYS A 10 3.171 -9.731 2.227 1.00 54.41 C ATOM 132 CD LYS A 10 3.647 -9.176 3.559 1.00 65.13 C ATOM 133 CE LYS A 10 4.266 -7.797 3.400 1.00 45.24 C ATOM 134 NZ LYS A 10 3.237 -6.720 3.439 1.00 3.11 N ATOM 0 H LYS A 10 1.281 -13.091 1.766 1.00 24.45 H new ATOM 0 HA LYS A 10 3.889 -12.252 2.091 1.00 53.51 H new ATOM 0 HB2 LYS A 10 1.612 -11.020 1.530 1.00 74.03 H new ATOM 0 HB3 LYS A 10 1.571 -10.711 3.255 1.00 74.03 H new ATOM 0 HG2 LYS A 10 4.031 -10.037 1.631 1.00 54.41 H new ATOM 0 HG3 LYS A 10 2.658 -8.948 1.668 1.00 54.41 H new ATOM 0 HD2 LYS A 10 2.808 -9.121 4.252 1.00 65.13 H new ATOM 0 HD3 LYS A 10 4.378 -9.856 3.997 1.00 65.13 H new ATOM 0 HE2 LYS A 10 4.995 -7.632 4.194 1.00 45.24 H new ATOM 0 HE3 LYS A 10 4.807 -7.748 2.455 1.00 45.24 H new ATOM 0 HZ1 LYS A 10 3.699 -5.795 3.327 1.00 3.11 H new ATOM 0 HZ2 LYS A 10 2.556 -6.863 2.666 1.00 3.11 H new ATOM 0 HZ3 LYS A 10 2.738 -6.750 4.351 1.00 3.11 H new ATOM 148 N ALA A 11 2.355 -12.781 4.954 1.00 50.21 N ATOM 149 CA ALA A 11 2.570 -12.943 6.387 1.00 34.33 C ATOM 150 C ALA A 11 3.505 -14.113 6.674 1.00 4.45 C ATOM 151 O ALA A 11 4.252 -14.094 7.651 1.00 53.20 O ATOM 152 CB ALA A 11 1.239 -13.141 7.100 1.00 43.42 C ATOM 0 H ALA A 11 1.415 -13.019 4.638 1.00 50.21 H new ATOM 0 HA ALA A 11 3.041 -12.035 6.764 1.00 34.33 H new ATOM 0 HB1 ALA A 11 1.413 -13.261 8.169 1.00 43.42 H new ATOM 0 HB2 ALA A 11 0.603 -12.272 6.931 1.00 43.42 H new ATOM 0 HB3 ALA A 11 0.747 -14.032 6.711 1.00 43.42 H new ATOM 158 N GLN A 12 3.456 -15.127 5.817 1.00 24.33 N ATOM 159 CA GLN A 12 4.298 -16.307 5.981 1.00 2.14 C ATOM 160 C GLN A 12 5.739 -16.006 5.580 1.00 42.14 C ATOM 161 O GLN A 12 6.678 -16.353 6.296 1.00 75.20 O ATOM 162 CB GLN A 12 3.756 -17.467 5.146 1.00 54.01 C ATOM 163 CG GLN A 12 2.596 -18.198 5.803 1.00 32.44 C ATOM 164 CD GLN A 12 3.032 -19.459 6.522 1.00 15.14 C ATOM 165 OE1 GLN A 12 2.921 -20.563 5.988 1.00 41.43 O ATOM 166 NE2 GLN A 12 3.532 -19.302 7.742 1.00 62.23 N ATOM 0 H GLN A 12 2.843 -15.156 5.002 1.00 24.33 H new ATOM 0 HA GLN A 12 4.283 -16.589 7.034 1.00 2.14 H new ATOM 0 HB2 GLN A 12 3.433 -17.087 4.177 1.00 54.01 H new ATOM 0 HB3 GLN A 12 4.562 -18.176 4.958 1.00 54.01 H new ATOM 0 HG2 GLN A 12 2.106 -17.531 6.512 1.00 32.44 H new ATOM 0 HG3 GLN A 12 1.857 -18.454 5.044 1.00 32.44 H new ATOM 0 HE21 GLN A 12 3.606 -18.369 8.147 1.00 62.23 H new ATOM 0 HE22 GLN A 12 3.842 -20.115 8.275 1.00 62.23 H new ATOM 175 N VAL A 13 5.905 -15.357 4.432 1.00 55.30 N ATOM 176 CA VAL A 13 7.231 -15.010 3.936 1.00 61.15 C ATOM 177 C VAL A 13 7.925 -14.023 4.869 1.00 35.34 C ATOM 178 O VAL A 13 9.113 -14.161 5.160 1.00 43.12 O ATOM 179 CB VAL A 13 7.160 -14.399 2.523 1.00 14.51 C ATOM 180 CG1 VAL A 13 6.700 -15.441 1.514 1.00 15.43 C ATOM 181 CG2 VAL A 13 6.236 -13.191 2.512 1.00 71.30 C ATOM 0 H VAL A 13 5.138 -15.061 3.828 1.00 55.30 H new ATOM 0 HA VAL A 13 7.806 -15.935 3.896 1.00 61.15 H new ATOM 0 HB VAL A 13 8.158 -14.067 2.238 1.00 14.51 H new ATOM 0 HG11 VAL A 13 6.656 -14.992 0.522 1.00 15.43 H new ATOM 0 HG12 VAL A 13 7.403 -16.274 1.504 1.00 15.43 H new ATOM 0 HG13 VAL A 13 5.711 -15.805 1.792 1.00 15.43 H new ATOM 0 HG21 VAL A 13 6.197 -12.772 1.507 1.00 71.30 H new ATOM 0 HG22 VAL A 13 5.235 -13.496 2.817 1.00 71.30 H new ATOM 0 HG23 VAL A 13 6.613 -12.438 3.205 1.00 71.30 H new ATOM 191 N MET A 14 7.177 -13.030 5.334 1.00 13.51 N ATOM 192 CA MET A 14 7.720 -12.020 6.236 1.00 42.15 C ATOM 193 C MET A 14 8.004 -12.617 7.611 1.00 13.12 C ATOM 194 O MET A 14 8.992 -12.270 8.256 1.00 73.12 O ATOM 195 CB MET A 14 6.749 -10.846 6.366 1.00 42.43 C ATOM 196 CG MET A 14 5.458 -11.202 7.087 1.00 3.14 C ATOM 197 SD MET A 14 5.522 -10.829 8.851 1.00 42.00 S ATOM 198 CE MET A 14 3.984 -11.560 9.407 1.00 52.44 C ATOM 0 H MET A 14 6.192 -12.902 5.102 1.00 13.51 H new ATOM 0 HA MET A 14 8.659 -11.659 5.815 1.00 42.15 H new ATOM 0 HB2 MET A 14 7.242 -10.035 6.901 1.00 42.43 H new ATOM 0 HB3 MET A 14 6.509 -10.472 5.371 1.00 42.43 H new ATOM 0 HG2 MET A 14 4.631 -10.656 6.634 1.00 3.14 H new ATOM 0 HG3 MET A 14 5.251 -12.264 6.951 1.00 3.14 H new ATOM 0 HE1 MET A 14 3.835 -11.335 10.463 1.00 52.44 H new ATOM 0 HE2 MET A 14 3.156 -11.150 8.828 1.00 52.44 H new ATOM 0 HE3 MET A 14 4.024 -12.640 9.268 1.00 52.44 H new ATOM 208 N GLU A 15 7.130 -13.516 8.053 1.00 31.13 N ATOM 209 CA GLU A 15 7.286 -14.159 9.352 1.00 3.51 C ATOM 210 C GLU A 15 8.495 -15.090 9.356 1.00 40.41 C ATOM 211 O GLU A 15 9.185 -15.226 10.367 1.00 50.11 O ATOM 212 CB GLU A 15 6.024 -14.943 9.714 1.00 51.42 C ATOM 213 CG GLU A 15 6.131 -15.697 11.029 1.00 64.33 C ATOM 214 CD GLU A 15 4.779 -16.106 11.580 1.00 14.11 C ATOM 215 OE1 GLU A 15 4.076 -16.887 10.904 1.00 12.44 O ATOM 216 OE2 GLU A 15 4.424 -15.646 12.684 1.00 72.54 O ATOM 0 H GLU A 15 6.307 -13.815 7.530 1.00 31.13 H new ATOM 0 HA GLU A 15 7.446 -13.380 10.097 1.00 3.51 H new ATOM 0 HB2 GLU A 15 5.181 -14.254 9.768 1.00 51.42 H new ATOM 0 HB3 GLU A 15 5.805 -15.652 8.915 1.00 51.42 H new ATOM 0 HG2 GLU A 15 6.744 -16.587 10.884 1.00 64.33 H new ATOM 0 HG3 GLU A 15 6.643 -15.072 11.761 1.00 64.33 H new ATOM 223 N SER A 16 8.746 -15.730 8.218 1.00 34.34 N ATOM 224 CA SER A 16 9.867 -16.653 8.090 1.00 4.21 C ATOM 225 C SER A 16 11.186 -15.893 7.985 1.00 25.30 C ATOM 226 O SER A 16 12.187 -16.278 8.588 1.00 71.45 O ATOM 227 CB SER A 16 9.683 -17.546 6.863 1.00 21.44 C ATOM 228 OG SER A 16 10.706 -18.524 6.784 1.00 73.30 O ATOM 0 H SER A 16 8.187 -15.626 7.371 1.00 34.34 H new ATOM 0 HA SER A 16 9.895 -17.277 8.983 1.00 4.21 H new ATOM 0 HB2 SER A 16 8.710 -18.036 6.909 1.00 21.44 H new ATOM 0 HB3 SER A 16 9.690 -16.935 5.961 1.00 21.44 H new ATOM 0 HG SER A 16 10.776 -18.851 5.863 1.00 73.30 H new ATOM 234 N VAL A 17 11.178 -14.810 7.214 1.00 40.23 N ATOM 235 CA VAL A 17 12.372 -13.993 7.030 1.00 71.33 C ATOM 236 C VAL A 17 12.816 -13.364 8.346 1.00 73.43 C ATOM 237 O VAL A 17 13.979 -13.474 8.737 1.00 75.50 O ATOM 238 CB VAL A 17 12.136 -12.878 5.994 1.00 54.13 C ATOM 239 CG1 VAL A 17 13.333 -11.942 5.935 1.00 61.33 C ATOM 240 CG2 VAL A 17 11.848 -13.476 4.625 1.00 64.43 C ATOM 0 H VAL A 17 10.358 -14.478 6.707 1.00 40.23 H new ATOM 0 HA VAL A 17 13.156 -14.657 6.665 1.00 71.33 H new ATOM 0 HB VAL A 17 11.266 -12.297 6.302 1.00 54.13 H new ATOM 0 HG11 VAL A 17 13.148 -11.161 5.198 1.00 61.33 H new ATOM 0 HG12 VAL A 17 13.488 -11.488 6.914 1.00 61.33 H new ATOM 0 HG13 VAL A 17 14.222 -12.505 5.651 1.00 61.33 H new ATOM 0 HG21 VAL A 17 11.684 -12.674 3.905 1.00 64.43 H new ATOM 0 HG22 VAL A 17 12.697 -14.081 4.307 1.00 64.43 H new ATOM 0 HG23 VAL A 17 10.957 -14.101 4.681 1.00 64.43 H new ATOM 250 N ILE A 18 11.883 -12.705 9.024 1.00 20.20 N ATOM 251 CA ILE A 18 12.177 -12.059 10.297 1.00 4.21 C ATOM 252 C ILE A 18 12.910 -13.009 11.240 1.00 21.34 C ATOM 253 O ILE A 18 13.972 -12.681 11.766 1.00 62.42 O ATOM 254 CB ILE A 18 10.893 -11.560 10.986 1.00 54.43 C ATOM 255 CG1 ILE A 18 10.238 -10.458 10.152 1.00 21.40 C ATOM 256 CG2 ILE A 18 11.205 -11.057 12.387 1.00 35.43 C ATOM 257 CD1 ILE A 18 8.749 -10.328 10.388 1.00 14.31 C ATOM 0 H ILE A 18 10.917 -12.604 8.713 1.00 20.20 H new ATOM 0 HA ILE A 18 12.816 -11.204 10.076 1.00 4.21 H new ATOM 0 HB ILE A 18 10.194 -12.393 11.068 1.00 54.43 H new ATOM 0 HG12 ILE A 18 10.719 -9.507 10.380 1.00 21.40 H new ATOM 0 HG13 ILE A 18 10.414 -10.659 9.095 1.00 21.40 H new ATOM 0 HG21 ILE A 18 10.288 -10.708 12.861 1.00 35.43 H new ATOM 0 HG22 ILE A 18 11.633 -11.867 12.978 1.00 35.43 H new ATOM 0 HG23 ILE A 18 11.918 -10.235 12.328 1.00 35.43 H new ATOM 0 HD11 ILE A 18 8.350 -9.528 9.764 1.00 14.31 H new ATOM 0 HD12 ILE A 18 8.257 -11.267 10.133 1.00 14.31 H new ATOM 0 HD13 ILE A 18 8.566 -10.096 11.437 1.00 14.31 H new ATOM 269 N GLY A 19 12.333 -14.190 11.445 1.00 20.44 N ATOM 270 CA GLY A 19 12.946 -15.171 12.323 1.00 33.42 C ATOM 271 C GLY A 19 14.154 -15.836 11.694 1.00 43.03 C ATOM 272 O GLY A 19 15.024 -16.351 12.398 1.00 24.14 O ATOM 0 H GLY A 19 11.454 -14.484 11.020 1.00 20.44 H new ATOM 0 HA2 GLY A 19 13.245 -14.686 13.252 1.00 33.42 H new ATOM 0 HA3 GLY A 19 12.210 -15.932 12.583 1.00 33.42 H new ATOM 276 N CYS A 20 14.209 -15.828 10.367 1.00 11.52 N ATOM 277 CA CYS A 20 15.319 -16.437 9.644 1.00 1.22 C ATOM 278 C CYS A 20 16.631 -15.729 9.965 1.00 65.11 C ATOM 279 O CYS A 20 17.629 -16.369 10.300 1.00 25.20 O ATOM 280 CB CYS A 20 15.058 -16.396 8.137 1.00 12.21 C ATOM 281 SG CYS A 20 14.508 -17.971 7.439 1.00 23.42 S ATOM 0 H CYS A 20 13.498 -15.406 9.770 1.00 11.52 H new ATOM 0 HA CYS A 20 15.401 -17.476 9.963 1.00 1.22 H new ATOM 0 HB2 CYS A 20 14.304 -15.636 7.930 1.00 12.21 H new ATOM 0 HB3 CYS A 20 15.971 -16.085 7.629 1.00 12.21 H new ATOM 0 HG CYS A 20 13.219 -18.076 7.567 1.00 23.42 H new ATOM 287 N LEU A 21 16.625 -14.405 9.857 1.00 53.41 N ATOM 288 CA LEU A 21 17.815 -13.608 10.134 1.00 51.22 C ATOM 289 C LEU A 21 17.690 -12.890 11.473 1.00 15.30 C ATOM 290 O LEU A 21 18.556 -12.100 11.850 1.00 53.22 O ATOM 291 CB LEU A 21 18.043 -12.590 9.015 1.00 25.12 C ATOM 292 CG LEU A 21 16.807 -12.192 8.208 1.00 53.32 C ATOM 293 CD1 LEU A 21 16.974 -10.793 7.632 1.00 4.41 C ATOM 294 CD2 LEU A 21 16.545 -13.200 7.100 1.00 52.43 C ATOM 0 H LEU A 21 15.809 -13.860 9.579 1.00 53.41 H new ATOM 0 HA LEU A 21 18.670 -14.282 10.183 1.00 51.22 H new ATOM 0 HB2 LEU A 21 18.472 -11.689 9.453 1.00 25.12 H new ATOM 0 HB3 LEU A 21 18.786 -12.995 8.328 1.00 25.12 H new ATOM 0 HG LEU A 21 15.946 -12.187 8.877 1.00 53.32 H new ATOM 0 HD11 LEU A 21 16.085 -10.526 7.061 1.00 4.41 H new ATOM 0 HD12 LEU A 21 17.111 -10.079 8.444 1.00 4.41 H new ATOM 0 HD13 LEU A 21 17.846 -10.770 6.978 1.00 4.41 H new ATOM 0 HD21 LEU A 21 15.661 -12.900 6.537 1.00 52.43 H new ATOM 0 HD22 LEU A 21 17.406 -13.238 6.432 1.00 52.43 H new ATOM 0 HD23 LEU A 21 16.380 -14.185 7.536 1.00 52.43 H new ATOM 306 N LYS A 22 16.607 -13.170 12.190 1.00 1.40 N ATOM 307 CA LYS A 22 16.368 -12.553 13.490 1.00 75.54 C ATOM 308 C LYS A 22 16.504 -11.037 13.406 1.00 52.33 C ATOM 309 O LYS A 22 17.591 -10.489 13.596 1.00 32.45 O ATOM 310 CB LYS A 22 17.348 -13.107 14.527 1.00 53.14 C ATOM 311 CG LYS A 22 17.421 -14.624 14.547 1.00 11.31 C ATOM 312 CD LYS A 22 18.421 -15.121 15.577 1.00 24.50 C ATOM 313 CE LYS A 22 17.735 -15.506 16.879 1.00 14.00 C ATOM 314 NZ LYS A 22 18.682 -16.136 17.839 1.00 54.14 N ATOM 0 H LYS A 22 15.880 -13.821 11.893 1.00 1.40 H new ATOM 0 HA LYS A 22 15.350 -12.792 13.796 1.00 75.54 H new ATOM 0 HB2 LYS A 22 18.342 -12.707 14.325 1.00 53.14 H new ATOM 0 HB3 LYS A 22 17.056 -12.753 15.516 1.00 53.14 H new ATOM 0 HG2 LYS A 22 16.435 -15.034 14.768 1.00 11.31 H new ATOM 0 HG3 LYS A 22 17.703 -14.989 13.559 1.00 11.31 H new ATOM 0 HD2 LYS A 22 18.958 -15.982 15.179 1.00 24.50 H new ATOM 0 HD3 LYS A 22 19.162 -14.345 15.770 1.00 24.50 H new ATOM 0 HE2 LYS A 22 17.294 -14.619 17.333 1.00 14.00 H new ATOM 0 HE3 LYS A 22 16.918 -16.196 16.669 1.00 14.00 H new ATOM 0 HZ1 LYS A 22 18.176 -16.384 18.713 1.00 54.14 H new ATOM 0 HZ2 LYS A 22 19.084 -16.997 17.416 1.00 54.14 H new ATOM 0 HZ3 LYS A 22 19.448 -15.468 18.060 1.00 54.14 H new ATOM 328 N LEU A 23 15.395 -10.364 13.122 1.00 63.12 N ATOM 329 CA LEU A 23 15.389 -8.909 13.015 1.00 10.22 C ATOM 330 C LEU A 23 14.991 -8.267 14.340 1.00 71.20 C ATOM 331 O LEU A 23 14.497 -8.939 15.243 1.00 42.11 O ATOM 332 CB LEU A 23 14.430 -8.463 11.910 1.00 24.31 C ATOM 333 CG LEU A 23 14.946 -8.599 10.477 1.00 34.40 C ATOM 334 CD1 LEU A 23 16.249 -7.833 10.304 1.00 62.24 C ATOM 335 CD2 LEU A 23 15.136 -10.064 10.115 1.00 71.34 C ATOM 0 H LEU A 23 14.488 -10.802 12.962 1.00 63.12 H new ATOM 0 HA LEU A 23 16.399 -8.584 12.764 1.00 10.22 H new ATOM 0 HB2 LEU A 23 13.510 -9.041 12.000 1.00 24.31 H new ATOM 0 HB3 LEU A 23 14.169 -7.419 12.083 1.00 24.31 H new ATOM 0 HG LEU A 23 14.204 -8.172 9.802 1.00 34.40 H new ATOM 0 HD11 LEU A 23 16.601 -7.941 9.278 1.00 62.24 H new ATOM 0 HD12 LEU A 23 16.082 -6.778 10.521 1.00 62.24 H new ATOM 0 HD13 LEU A 23 16.998 -8.230 10.989 1.00 62.24 H new ATOM 0 HD21 LEU A 23 15.504 -10.141 9.092 1.00 71.34 H new ATOM 0 HD22 LEU A 23 15.858 -10.516 10.795 1.00 71.34 H new ATOM 0 HD23 LEU A 23 14.183 -10.586 10.198 1.00 71.34 H new ATOM 347 N ASN A 24 15.207 -6.959 14.446 1.00 45.20 N ATOM 348 CA ASN A 24 14.868 -6.225 15.661 1.00 65.04 C ATOM 349 C ASN A 24 13.710 -5.264 15.411 1.00 22.23 C ATOM 350 O ASN A 24 13.075 -5.303 14.357 1.00 61.52 O ATOM 351 CB ASN A 24 16.086 -5.451 16.170 1.00 25.14 C ATOM 352 CG ASN A 24 17.328 -6.319 16.252 1.00 24.34 C ATOM 353 OD1 ASN A 24 17.653 -6.858 17.310 1.00 75.32 O ATOM 354 ND2 ASN A 24 18.029 -6.456 15.133 1.00 12.31 N ATOM 0 H ASN A 24 15.614 -6.387 13.707 1.00 45.20 H new ATOM 0 HA ASN A 24 14.561 -6.947 16.418 1.00 65.04 H new ATOM 0 HB2 ASN A 24 16.279 -4.606 15.509 1.00 25.14 H new ATOM 0 HB3 ASN A 24 15.867 -5.041 17.156 1.00 25.14 H new ATOM 0 HD21 ASN A 24 18.874 -7.027 15.127 1.00 12.31 H new ATOM 0 HD22 ASN A 24 17.722 -5.991 14.279 1.00 12.31 H new ATOM 361 N ASP A 25 13.443 -4.403 16.385 1.00 44.23 N ATOM 362 CA ASP A 25 12.362 -3.430 16.271 1.00 34.40 C ATOM 363 C ASP A 25 12.665 -2.407 15.180 1.00 23.34 C ATOM 364 O ASP A 25 11.779 -2.009 14.426 1.00 45.40 O ATOM 365 CB ASP A 25 12.143 -2.719 17.608 1.00 1.51 C ATOM 366 CG ASP A 25 12.252 -3.663 18.789 1.00 64.32 C ATOM 367 OD1 ASP A 25 11.755 -4.804 18.686 1.00 24.33 O ATOM 368 OD2 ASP A 25 12.835 -3.261 19.817 1.00 20.14 O ATOM 0 H ASP A 25 13.960 -4.358 17.263 1.00 44.23 H new ATOM 0 HA ASP A 25 11.452 -3.965 16.000 1.00 34.40 H new ATOM 0 HB2 ASP A 25 12.877 -1.920 17.716 1.00 1.51 H new ATOM 0 HB3 ASP A 25 11.159 -2.251 17.610 1.00 1.51 H new ATOM 373 N GLU A 26 13.923 -1.984 15.106 1.00 23.44 N ATOM 374 CA GLU A 26 14.342 -1.005 14.109 1.00 51.55 C ATOM 375 C GLU A 26 14.271 -1.595 12.704 1.00 41.22 C ATOM 376 O GLU A 26 13.731 -0.976 11.787 1.00 64.53 O ATOM 377 CB GLU A 26 15.766 -0.525 14.401 1.00 23.33 C ATOM 378 CG GLU A 26 15.933 0.079 15.785 1.00 11.13 C ATOM 379 CD GLU A 26 15.117 1.343 15.973 1.00 33.12 C ATOM 380 OE1 GLU A 26 15.267 2.271 15.150 1.00 10.11 O ATOM 381 OE2 GLU A 26 14.332 1.405 16.941 1.00 53.41 O ATOM 0 H GLU A 26 14.669 -2.303 15.724 1.00 23.44 H new ATOM 0 HA GLU A 26 13.661 -0.155 14.162 1.00 51.55 H new ATOM 0 HB2 GLU A 26 16.452 -1.365 14.295 1.00 23.33 H new ATOM 0 HB3 GLU A 26 16.051 0.216 13.654 1.00 23.33 H new ATOM 0 HG2 GLU A 26 15.638 -0.654 16.535 1.00 11.13 H new ATOM 0 HG3 GLU A 26 16.986 0.302 15.955 1.00 11.13 H new ATOM 388 N GLN A 27 14.818 -2.795 12.543 1.00 43.14 N ATOM 389 CA GLN A 27 14.818 -3.468 11.250 1.00 70.43 C ATOM 390 C GLN A 27 13.393 -3.693 10.754 1.00 74.33 C ATOM 391 O GLN A 27 13.112 -3.566 9.562 1.00 70.11 O ATOM 392 CB GLN A 27 15.553 -4.807 11.347 1.00 60.33 C ATOM 393 CG GLN A 27 16.923 -4.702 11.996 1.00 35.01 C ATOM 394 CD GLN A 27 17.709 -3.501 11.508 1.00 64.11 C ATOM 395 OE1 GLN A 27 17.633 -2.417 12.088 1.00 33.13 O ATOM 396 NE2 GLN A 27 18.472 -3.687 10.436 1.00 31.11 N ATOM 0 H GLN A 27 15.267 -3.322 13.292 1.00 43.14 H new ATOM 0 HA GLN A 27 15.336 -2.828 10.536 1.00 70.43 H new ATOM 0 HB2 GLN A 27 14.942 -5.507 11.917 1.00 60.33 H new ATOM 0 HB3 GLN A 27 15.665 -5.224 10.346 1.00 60.33 H new ATOM 0 HG2 GLN A 27 16.805 -4.639 13.078 1.00 35.01 H new ATOM 0 HG3 GLN A 27 17.489 -5.610 11.790 1.00 35.01 H new ATOM 0 HE21 GLN A 27 18.505 -4.602 9.986 1.00 31.11 H new ATOM 0 HE22 GLN A 27 19.024 -2.915 10.063 1.00 31.11 H new ATOM 405 N LYS A 28 12.496 -4.026 11.676 1.00 33.40 N ATOM 406 CA LYS A 28 11.099 -4.267 11.334 1.00 0.31 C ATOM 407 C LYS A 28 10.386 -2.960 11.005 1.00 73.13 C ATOM 408 O LYS A 28 9.370 -2.955 10.311 1.00 33.23 O ATOM 409 CB LYS A 28 10.385 -4.975 12.488 1.00 10.45 C ATOM 410 CG LYS A 28 10.877 -6.391 12.731 1.00 2.22 C ATOM 411 CD LYS A 28 10.471 -6.894 14.107 1.00 53.25 C ATOM 412 CE LYS A 28 8.978 -7.172 14.180 1.00 14.30 C ATOM 413 NZ LYS A 28 8.564 -7.621 15.538 1.00 1.02 N ATOM 0 H LYS A 28 12.712 -4.135 12.667 1.00 33.40 H new ATOM 0 HA LYS A 28 11.072 -4.906 10.452 1.00 0.31 H new ATOM 0 HB2 LYS A 28 10.518 -4.392 13.399 1.00 10.45 H new ATOM 0 HB3 LYS A 28 9.315 -5.002 12.280 1.00 10.45 H new ATOM 0 HG2 LYS A 28 10.472 -7.054 11.966 1.00 2.22 H new ATOM 0 HG3 LYS A 28 11.963 -6.421 12.637 1.00 2.22 H new ATOM 0 HD2 LYS A 28 11.024 -7.804 14.341 1.00 53.25 H new ATOM 0 HD3 LYS A 28 10.742 -6.154 14.861 1.00 53.25 H new ATOM 0 HE2 LYS A 28 8.427 -6.271 13.912 1.00 14.30 H new ATOM 0 HE3 LYS A 28 8.715 -7.936 13.449 1.00 14.30 H new ATOM 0 HZ1 LYS A 28 7.540 -7.800 15.547 1.00 1.02 H new ATOM 0 HZ2 LYS A 28 9.071 -8.495 15.784 1.00 1.02 H new ATOM 0 HZ3 LYS A 28 8.792 -6.881 16.233 1.00 1.02 H new ATOM 427 N GLN A 29 10.926 -1.854 11.508 1.00 54.00 N ATOM 428 CA GLN A 29 10.340 -0.541 11.266 1.00 31.22 C ATOM 429 C GLN A 29 10.900 0.079 9.991 1.00 50.15 C ATOM 430 O GLN A 29 10.237 0.883 9.337 1.00 72.44 O ATOM 431 CB GLN A 29 10.604 0.385 12.455 1.00 30.00 C ATOM 432 CG GLN A 29 9.799 0.026 13.695 1.00 61.43 C ATOM 433 CD GLN A 29 8.446 0.708 13.731 1.00 52.42 C ATOM 434 OE1 GLN A 29 8.250 1.757 13.118 1.00 3.31 O ATOM 435 NE2 GLN A 29 7.502 0.112 14.450 1.00 52.22 N ATOM 0 H GLN A 29 11.767 -1.841 12.085 1.00 54.00 H new ATOM 0 HA GLN A 29 9.264 -0.668 11.144 1.00 31.22 H new ATOM 0 HB2 GLN A 29 11.666 0.355 12.700 1.00 30.00 H new ATOM 0 HB3 GLN A 29 10.372 1.410 12.165 1.00 30.00 H new ATOM 0 HG2 GLN A 29 9.658 -1.054 13.732 1.00 61.43 H new ATOM 0 HG3 GLN A 29 10.365 0.304 14.584 1.00 61.43 H new ATOM 0 HE21 GLN A 29 7.708 -0.757 14.942 1.00 52.22 H new ATOM 0 HE22 GLN A 29 6.571 0.523 14.510 1.00 52.22 H new ATOM 444 N ILE A 30 12.126 -0.300 9.643 1.00 2.02 N ATOM 445 CA ILE A 30 12.775 0.219 8.446 1.00 13.22 C ATOM 446 C ILE A 30 12.720 -0.796 7.309 1.00 11.13 C ATOM 447 O ILE A 30 13.524 -0.744 6.376 1.00 22.43 O ATOM 448 CB ILE A 30 14.245 0.589 8.718 1.00 43.52 C ATOM 449 CG1 ILE A 30 15.038 -0.652 9.134 1.00 24.21 C ATOM 450 CG2 ILE A 30 14.330 1.663 9.791 1.00 14.42 C ATOM 451 CD1 ILE A 30 15.861 -1.248 8.012 1.00 63.02 C ATOM 0 H ILE A 30 12.689 -0.965 10.174 1.00 2.02 H new ATOM 0 HA ILE A 30 12.231 1.118 8.156 1.00 13.22 H new ATOM 0 HB ILE A 30 14.681 0.984 7.800 1.00 43.52 H new ATOM 0 HG12 ILE A 30 15.700 -0.390 9.960 1.00 24.21 H new ATOM 0 HG13 ILE A 30 14.346 -1.407 9.507 1.00 24.21 H new ATOM 0 HG21 ILE A 30 15.375 1.914 9.972 1.00 14.42 H new ATOM 0 HG22 ILE A 30 13.795 2.553 9.458 1.00 14.42 H new ATOM 0 HG23 ILE A 30 13.881 1.293 10.713 1.00 14.42 H new ATOM 0 HD11 ILE A 30 16.396 -2.124 8.379 1.00 63.02 H new ATOM 0 HD12 ILE A 30 15.203 -1.541 7.194 1.00 63.02 H new ATOM 0 HD13 ILE A 30 16.577 -0.509 7.654 1.00 63.02 H new ATOM 463 N LEU A 31 11.765 -1.716 7.389 1.00 64.14 N ATOM 464 CA LEU A 31 11.604 -2.743 6.366 1.00 21.12 C ATOM 465 C LEU A 31 10.532 -2.342 5.357 1.00 14.43 C ATOM 466 O LEU A 31 9.616 -1.585 5.678 1.00 1.54 O ATOM 467 CB LEU A 31 11.238 -4.081 7.010 1.00 41.11 C ATOM 468 CG LEU A 31 12.004 -5.302 6.502 1.00 20.21 C ATOM 469 CD1 LEU A 31 12.263 -6.281 7.637 1.00 40.33 C ATOM 470 CD2 LEU A 31 11.240 -5.981 5.374 1.00 12.21 C ATOM 0 H LEU A 31 11.090 -1.772 8.152 1.00 64.14 H new ATOM 0 HA LEU A 31 12.553 -2.848 5.840 1.00 21.12 H new ATOM 0 HB2 LEU A 31 11.396 -3.999 8.085 1.00 41.11 H new ATOM 0 HB3 LEU A 31 10.173 -4.256 6.857 1.00 41.11 H new ATOM 0 HG LEU A 31 12.965 -4.966 6.112 1.00 20.21 H new ATOM 0 HD11 LEU A 31 12.809 -7.144 7.256 1.00 40.33 H new ATOM 0 HD12 LEU A 31 12.853 -5.792 8.412 1.00 40.33 H new ATOM 0 HD13 LEU A 31 11.313 -6.610 8.058 1.00 40.33 H new ATOM 0 HD21 LEU A 31 11.801 -6.848 5.025 1.00 12.21 H new ATOM 0 HD22 LEU A 31 10.264 -6.302 5.738 1.00 12.21 H new ATOM 0 HD23 LEU A 31 11.107 -5.279 4.550 1.00 12.21 H new ATOM 482 N SER A 32 10.653 -2.855 4.137 1.00 11.55 N ATOM 483 CA SER A 32 9.695 -2.548 3.080 1.00 52.24 C ATOM 484 C SER A 32 9.667 -3.657 2.035 1.00 35.45 C ATOM 485 O SER A 32 10.611 -4.437 1.915 1.00 30.51 O ATOM 486 CB SER A 32 10.045 -1.214 2.418 1.00 52.12 C ATOM 487 OG SER A 32 9.627 -1.193 1.063 1.00 54.11 O ATOM 0 H SER A 32 11.404 -3.485 3.856 1.00 11.55 H new ATOM 0 HA SER A 32 8.705 -2.473 3.530 1.00 52.24 H new ATOM 0 HB2 SER A 32 9.569 -0.398 2.962 1.00 52.12 H new ATOM 0 HB3 SER A 32 11.121 -1.048 2.473 1.00 52.12 H new ATOM 0 HG SER A 32 10.367 -0.888 0.497 1.00 54.11 H new ATOM 493 N GLY A 33 8.576 -3.722 1.278 1.00 1.31 N ATOM 494 CA GLY A 33 8.444 -4.739 0.251 1.00 55.30 C ATOM 495 C GLY A 33 9.421 -4.541 -0.890 1.00 2.44 C ATOM 496 O GLY A 33 9.808 -5.499 -1.561 1.00 22.34 O ATOM 0 H GLY A 33 7.781 -3.088 1.358 1.00 1.31 H new ATOM 0 HA2 GLY A 33 8.603 -5.722 0.695 1.00 55.30 H new ATOM 0 HA3 GLY A 33 7.427 -4.726 -0.140 1.00 55.30 H new ATOM 500 N THR A 34 9.823 -3.294 -1.114 1.00 51.35 N ATOM 501 CA THR A 34 10.759 -2.973 -2.184 1.00 3.10 C ATOM 502 C THR A 34 12.160 -2.730 -1.634 1.00 64.01 C ATOM 503 O THR A 34 12.875 -1.840 -2.097 1.00 73.14 O ATOM 504 CB THR A 34 10.306 -1.729 -2.973 1.00 42.35 C ATOM 505 OG1 THR A 34 10.445 -0.558 -2.161 1.00 2.24 O ATOM 506 CG2 THR A 34 8.860 -1.871 -3.424 1.00 32.33 C ATOM 0 H THR A 34 9.515 -2.489 -0.568 1.00 51.35 H new ATOM 0 HA THR A 34 10.779 -3.832 -2.855 1.00 3.10 H new ATOM 0 HB THR A 34 10.938 -1.636 -3.856 1.00 42.35 H new ATOM 0 HG1 THR A 34 10.157 0.229 -2.669 1.00 2.24 H new ATOM 0 HG21 THR A 34 8.563 -0.981 -3.979 1.00 32.33 H new ATOM 0 HG22 THR A 34 8.763 -2.747 -4.065 1.00 32.33 H new ATOM 0 HG23 THR A 34 8.217 -1.987 -2.552 1.00 32.33 H new ATOM 514 N THR A 35 12.548 -3.527 -0.644 1.00 44.01 N ATOM 515 CA THR A 35 13.864 -3.398 -0.030 1.00 42.43 C ATOM 516 C THR A 35 14.618 -4.722 -0.062 1.00 0.31 C ATOM 517 O THR A 35 14.287 -5.653 0.671 1.00 42.14 O ATOM 518 CB THR A 35 13.759 -2.915 1.429 1.00 23.32 C ATOM 519 OG1 THR A 35 13.125 -1.632 1.475 1.00 14.23 O ATOM 520 CG2 THR A 35 15.135 -2.831 2.071 1.00 52.31 C ATOM 0 H THR A 35 11.970 -4.269 -0.250 1.00 44.01 H new ATOM 0 HA THR A 35 14.412 -2.657 -0.611 1.00 42.43 H new ATOM 0 HB THR A 35 13.160 -3.636 1.986 1.00 23.32 H new ATOM 0 HG1 THR A 35 13.230 -1.247 2.370 1.00 14.23 H new ATOM 0 HG21 THR A 35 15.036 -2.488 3.101 1.00 52.31 H new ATOM 0 HG22 THR A 35 15.602 -3.816 2.060 1.00 52.31 H new ATOM 0 HG23 THR A 35 15.755 -2.129 1.513 1.00 52.31 H new ATOM 528 N ASN A 36 15.633 -4.800 -0.917 1.00 22.34 N ATOM 529 CA ASN A 36 16.434 -6.011 -1.043 1.00 3.42 C ATOM 530 C ASN A 36 16.986 -6.444 0.312 1.00 24.22 C ATOM 531 O ASN A 36 17.948 -5.864 0.817 1.00 54.35 O ATOM 532 CB ASN A 36 17.585 -5.786 -2.026 1.00 23.01 C ATOM 533 CG ASN A 36 18.109 -7.084 -2.610 1.00 71.14 C ATOM 534 OD1 ASN A 36 17.950 -8.153 -2.020 1.00 42.21 O ATOM 535 ND2 ASN A 36 18.740 -6.996 -3.776 1.00 21.54 N ATOM 0 H ASN A 36 15.920 -4.039 -1.532 1.00 22.34 H new ATOM 0 HA ASN A 36 15.789 -6.804 -1.422 1.00 3.42 H new ATOM 0 HB2 ASN A 36 17.247 -5.137 -2.834 1.00 23.01 H new ATOM 0 HB3 ASN A 36 18.397 -5.266 -1.518 1.00 23.01 H new ATOM 0 HD21 ASN A 36 19.115 -7.835 -4.217 1.00 21.54 H new ATOM 0 HD22 ASN A 36 18.849 -6.089 -4.230 1.00 21.54 H new ATOM 542 N LEU A 37 16.370 -7.466 0.896 1.00 42.04 N ATOM 543 CA LEU A 37 16.799 -7.978 2.192 1.00 41.12 C ATOM 544 C LEU A 37 18.186 -8.605 2.099 1.00 34.43 C ATOM 545 O LEU A 37 18.832 -8.860 3.115 1.00 41.43 O ATOM 546 CB LEU A 37 15.795 -9.009 2.713 1.00 32.32 C ATOM 547 CG LEU A 37 14.319 -8.623 2.606 1.00 23.33 C ATOM 548 CD1 LEU A 37 13.431 -9.799 2.979 1.00 44.55 C ATOM 549 CD2 LEU A 37 14.017 -7.421 3.489 1.00 73.30 C ATOM 0 H LEU A 37 15.572 -7.956 0.492 1.00 42.04 H new ATOM 0 HA LEU A 37 16.845 -7.140 2.888 1.00 41.12 H new ATOM 0 HB2 LEU A 37 15.946 -9.941 2.169 1.00 32.32 H new ATOM 0 HB3 LEU A 37 16.022 -9.211 3.760 1.00 32.32 H new ATOM 0 HG LEU A 37 14.108 -8.350 1.572 1.00 23.33 H new ATOM 0 HD11 LEU A 37 12.385 -9.505 2.897 1.00 44.55 H new ATOM 0 HD12 LEU A 37 13.628 -10.632 2.304 1.00 44.55 H new ATOM 0 HD13 LEU A 37 13.643 -10.104 4.004 1.00 44.55 H new ATOM 0 HD21 LEU A 37 12.962 -7.160 3.400 1.00 73.30 H new ATOM 0 HD22 LEU A 37 14.244 -7.665 4.527 1.00 73.30 H new ATOM 0 HD23 LEU A 37 14.628 -6.575 3.173 1.00 73.30 H new ATOM 561 N ALA A 38 18.639 -8.848 0.873 1.00 11.43 N ATOM 562 CA ALA A 38 19.951 -9.440 0.647 1.00 64.01 C ATOM 563 C ALA A 38 21.056 -8.398 0.790 1.00 74.52 C ATOM 564 O ALA A 38 22.048 -8.620 1.485 1.00 11.43 O ATOM 565 CB ALA A 38 20.008 -10.088 -0.729 1.00 72.25 C ATOM 0 H ALA A 38 18.116 -8.644 0.021 1.00 11.43 H new ATOM 0 HA ALA A 38 20.111 -10.207 1.404 1.00 64.01 H new ATOM 0 HB1 ALA A 38 20.994 -10.526 -0.884 1.00 72.25 H new ATOM 0 HB2 ALA A 38 19.250 -10.868 -0.796 1.00 72.25 H new ATOM 0 HB3 ALA A 38 19.821 -9.334 -1.494 1.00 72.25 H new ATOM 571 N LYS A 39 20.879 -7.261 0.125 1.00 24.43 N ATOM 572 CA LYS A 39 21.860 -6.183 0.177 1.00 74.40 C ATOM 573 C LYS A 39 21.634 -5.301 1.402 1.00 20.11 C ATOM 574 O LYS A 39 22.570 -5.001 2.143 1.00 33.41 O ATOM 575 CB LYS A 39 21.786 -5.337 -1.096 1.00 32.01 C ATOM 576 CG LYS A 39 23.119 -4.733 -1.503 1.00 13.31 C ATOM 577 CD LYS A 39 23.082 -4.211 -2.929 1.00 0.14 C ATOM 578 CE LYS A 39 23.285 -5.330 -3.938 1.00 0.24 C ATOM 579 NZ LYS A 39 23.523 -4.804 -5.311 1.00 32.20 N ATOM 0 H LYS A 39 20.065 -7.062 -0.457 1.00 24.43 H new ATOM 0 HA LYS A 39 22.851 -6.630 0.251 1.00 74.40 H new ATOM 0 HB2 LYS A 39 21.413 -5.956 -1.912 1.00 32.01 H new ATOM 0 HB3 LYS A 39 21.063 -4.535 -0.948 1.00 32.01 H new ATOM 0 HG2 LYS A 39 23.374 -3.920 -0.823 1.00 13.31 H new ATOM 0 HG3 LYS A 39 23.903 -5.484 -1.410 1.00 13.31 H new ATOM 0 HD2 LYS A 39 22.125 -3.722 -3.114 1.00 0.14 H new ATOM 0 HD3 LYS A 39 23.857 -3.456 -3.061 1.00 0.14 H new ATOM 0 HE2 LYS A 39 24.132 -5.945 -3.633 1.00 0.24 H new ATOM 0 HE3 LYS A 39 22.408 -5.977 -3.944 1.00 0.24 H new ATOM 0 HZ1 LYS A 39 23.657 -5.598 -5.969 1.00 32.20 H new ATOM 0 HZ2 LYS A 39 22.704 -4.238 -5.613 1.00 32.20 H new ATOM 0 HZ3 LYS A 39 24.375 -4.207 -5.311 1.00 32.20 H new ATOM 593 N ASP A 40 20.388 -4.889 1.606 1.00 63.34 N ATOM 594 CA ASP A 40 20.039 -4.043 2.742 1.00 12.34 C ATOM 595 C ASP A 40 20.563 -4.640 4.045 1.00 41.35 C ATOM 596 O ASP A 40 21.428 -4.060 4.702 1.00 11.14 O ATOM 597 CB ASP A 40 18.523 -3.861 2.824 1.00 60.32 C ATOM 598 CG ASP A 40 18.130 -2.603 3.573 1.00 10.42 C ATOM 599 OD1 ASP A 40 18.085 -1.527 2.941 1.00 43.03 O ATOM 600 OD2 ASP A 40 17.869 -2.695 4.790 1.00 22.23 O ATOM 0 H ASP A 40 19.603 -5.127 1.000 1.00 63.34 H new ATOM 0 HA ASP A 40 20.506 -3.069 2.595 1.00 12.34 H new ATOM 0 HB2 ASP A 40 18.109 -3.824 1.816 1.00 60.32 H new ATOM 0 HB3 ASP A 40 18.082 -4.727 3.318 1.00 60.32 H new ATOM 605 N PHE A 41 20.033 -5.802 4.413 1.00 51.23 N ATOM 606 CA PHE A 41 20.446 -6.475 5.638 1.00 55.34 C ATOM 607 C PHE A 41 21.772 -7.202 5.440 1.00 13.42 C ATOM 608 O PHE A 41 22.320 -7.783 6.375 1.00 4.32 O ATOM 609 CB PHE A 41 19.371 -7.468 6.086 1.00 32.53 C ATOM 610 CG PHE A 41 18.092 -6.811 6.524 1.00 72.32 C ATOM 611 CD1 PHE A 41 18.104 -5.826 7.500 1.00 12.33 C ATOM 612 CD2 PHE A 41 16.881 -7.177 5.961 1.00 73.13 C ATOM 613 CE1 PHE A 41 16.929 -5.220 7.905 1.00 51.15 C ATOM 614 CE2 PHE A 41 15.704 -6.575 6.362 1.00 63.51 C ATOM 615 CZ PHE A 41 15.728 -5.594 7.334 1.00 32.44 C ATOM 0 H PHE A 41 19.317 -6.296 3.880 1.00 51.23 H new ATOM 0 HA PHE A 41 20.579 -5.718 6.411 1.00 55.34 H new ATOM 0 HB2 PHE A 41 19.156 -8.153 5.266 1.00 32.53 H new ATOM 0 HB3 PHE A 41 19.762 -8.068 6.908 1.00 32.53 H new ATOM 0 HD1 PHE A 41 19.041 -5.529 7.948 1.00 12.33 H new ATOM 0 HD2 PHE A 41 16.856 -7.942 5.199 1.00 73.13 H new ATOM 0 HE1 PHE A 41 16.950 -4.455 8.667 1.00 51.15 H new ATOM 0 HE2 PHE A 41 14.766 -6.871 5.916 1.00 63.51 H new ATOM 0 HZ PHE A 41 14.809 -5.120 7.647 1.00 32.44 H new ATOM 625 N ASN A 42 22.283 -7.164 4.214 1.00 62.01 N ATOM 626 CA ASN A 42 23.545 -7.819 3.890 1.00 43.41 C ATOM 627 C ASN A 42 23.509 -9.293 4.281 1.00 32.20 C ATOM 628 O ASN A 42 24.501 -9.844 4.759 1.00 14.03 O ATOM 629 CB ASN A 42 24.704 -7.119 4.603 1.00 74.50 C ATOM 630 CG ASN A 42 25.284 -5.982 3.784 1.00 43.04 C ATOM 631 OD1 ASN A 42 25.108 -4.810 4.117 1.00 64.32 O ATOM 632 ND2 ASN A 42 25.981 -6.325 2.707 1.00 71.31 N ATOM 0 H ASN A 42 21.842 -6.686 3.428 1.00 62.01 H new ATOM 0 HA ASN A 42 23.695 -7.751 2.813 1.00 43.41 H new ATOM 0 HB2 ASN A 42 24.357 -6.733 5.561 1.00 74.50 H new ATOM 0 HB3 ASN A 42 25.488 -7.846 4.817 1.00 74.50 H new ATOM 0 HD21 ASN A 42 26.396 -5.604 2.117 1.00 71.31 H new ATOM 0 HD22 ASN A 42 26.101 -7.310 2.469 1.00 71.31 H new ATOM 639 N LEU A 43 22.359 -9.926 4.075 1.00 0.14 N ATOM 640 CA LEU A 43 22.193 -11.337 4.405 1.00 4.12 C ATOM 641 C LEU A 43 23.308 -12.176 3.789 1.00 55.50 C ATOM 642 O LEU A 43 23.811 -11.861 2.711 1.00 12.51 O ATOM 643 CB LEU A 43 20.833 -11.838 3.917 1.00 2.23 C ATOM 644 CG LEU A 43 19.621 -11.409 4.747 1.00 32.43 C ATOM 645 CD1 LEU A 43 18.332 -11.870 4.087 1.00 22.23 C ATOM 646 CD2 LEU A 43 19.724 -11.957 6.162 1.00 61.35 C ATOM 0 H LEU A 43 21.528 -9.484 3.681 1.00 0.14 H new ATOM 0 HA LEU A 43 22.244 -11.439 5.489 1.00 4.12 H new ATOM 0 HB2 LEU A 43 20.687 -11.493 2.893 1.00 2.23 H new ATOM 0 HB3 LEU A 43 20.859 -12.927 3.886 1.00 2.23 H new ATOM 0 HG LEU A 43 19.608 -10.320 4.800 1.00 32.43 H new ATOM 0 HD11 LEU A 43 17.481 -11.556 4.692 1.00 22.23 H new ATOM 0 HD12 LEU A 43 18.254 -11.429 3.093 1.00 22.23 H new ATOM 0 HD13 LEU A 43 18.335 -12.957 4.002 1.00 22.23 H new ATOM 0 HD21 LEU A 43 18.854 -11.642 6.738 1.00 61.35 H new ATOM 0 HD22 LEU A 43 19.763 -13.046 6.129 1.00 61.35 H new ATOM 0 HD23 LEU A 43 20.629 -11.576 6.635 1.00 61.35 H new ATOM 658 N ASP A 44 23.687 -13.245 4.480 1.00 13.11 N ATOM 659 CA ASP A 44 24.739 -14.132 3.999 1.00 72.53 C ATOM 660 C ASP A 44 24.176 -15.175 3.039 1.00 75.24 C ATOM 661 O ASP A 44 22.987 -15.492 3.080 1.00 40.44 O ATOM 662 CB ASP A 44 25.431 -14.823 5.175 1.00 51.15 C ATOM 663 CG ASP A 44 26.836 -15.279 4.835 1.00 21.20 C ATOM 664 OD1 ASP A 44 27.718 -14.411 4.667 1.00 30.42 O ATOM 665 OD2 ASP A 44 27.054 -16.504 4.737 1.00 63.34 O ATOM 0 H ASP A 44 23.281 -13.518 5.375 1.00 13.11 H new ATOM 0 HA ASP A 44 25.470 -13.528 3.461 1.00 72.53 H new ATOM 0 HB2 ASP A 44 25.470 -14.139 6.023 1.00 51.15 H new ATOM 0 HB3 ASP A 44 24.839 -15.683 5.486 1.00 51.15 H new ATOM 670 N SER A 45 25.037 -15.706 2.177 1.00 65.32 N ATOM 671 CA SER A 45 24.624 -16.710 1.204 1.00 60.12 C ATOM 672 C SER A 45 23.952 -17.893 1.896 1.00 31.24 C ATOM 673 O SER A 45 23.129 -18.589 1.300 1.00 40.22 O ATOM 674 CB SER A 45 25.829 -17.195 0.396 1.00 63.42 C ATOM 675 OG SER A 45 26.515 -18.231 1.075 1.00 12.42 O ATOM 0 H SER A 45 26.025 -15.457 2.133 1.00 65.32 H new ATOM 0 HA SER A 45 23.904 -16.250 0.528 1.00 60.12 H new ATOM 0 HB2 SER A 45 25.497 -17.553 -0.579 1.00 63.42 H new ATOM 0 HB3 SER A 45 26.509 -16.362 0.215 1.00 63.42 H new ATOM 0 HG SER A 45 27.280 -18.524 0.537 1.00 12.42 H new ATOM 681 N LEU A 46 24.309 -18.112 3.156 1.00 71.33 N ATOM 682 CA LEU A 46 23.742 -19.211 3.931 1.00 25.25 C ATOM 683 C LEU A 46 22.297 -18.915 4.320 1.00 62.14 C ATOM 684 O LEU A 46 21.410 -19.748 4.134 1.00 62.33 O ATOM 685 CB LEU A 46 24.579 -19.461 5.187 1.00 13.24 C ATOM 686 CG LEU A 46 25.776 -20.397 5.021 1.00 31.11 C ATOM 687 CD1 LEU A 46 25.307 -21.828 4.801 1.00 42.14 C ATOM 688 CD2 LEU A 46 26.656 -19.940 3.868 1.00 75.23 C ATOM 0 H LEU A 46 24.988 -17.544 3.663 1.00 71.33 H new ATOM 0 HA LEU A 46 23.755 -20.106 3.309 1.00 25.25 H new ATOM 0 HB2 LEU A 46 24.942 -18.501 5.554 1.00 13.24 H new ATOM 0 HB3 LEU A 46 23.927 -19.871 5.958 1.00 13.24 H new ATOM 0 HG LEU A 46 26.367 -20.365 5.936 1.00 31.11 H new ATOM 0 HD11 LEU A 46 26.172 -22.481 4.685 1.00 42.14 H new ATOM 0 HD12 LEU A 46 24.719 -22.154 5.659 1.00 42.14 H new ATOM 0 HD13 LEU A 46 24.693 -21.876 3.901 1.00 42.14 H new ATOM 0 HD21 LEU A 46 27.503 -20.619 3.765 1.00 75.23 H new ATOM 0 HD22 LEU A 46 26.076 -19.941 2.945 1.00 75.23 H new ATOM 0 HD23 LEU A 46 27.021 -18.932 4.066 1.00 75.23 H new ATOM 700 N ASP A 47 22.068 -17.722 4.857 1.00 2.12 N ATOM 701 CA ASP A 47 20.730 -17.313 5.269 1.00 55.22 C ATOM 702 C ASP A 47 19.753 -17.399 4.102 1.00 62.23 C ATOM 703 O ASP A 47 18.675 -17.984 4.222 1.00 64.30 O ATOM 704 CB ASP A 47 20.757 -15.887 5.824 1.00 35.55 C ATOM 705 CG ASP A 47 20.271 -15.815 7.258 1.00 1.24 C ATOM 706 OD1 ASP A 47 19.053 -15.981 7.480 1.00 22.24 O ATOM 707 OD2 ASP A 47 21.108 -15.594 8.157 1.00 73.34 O ATOM 0 H ASP A 47 22.791 -17.021 5.017 1.00 2.12 H new ATOM 0 HA ASP A 47 20.394 -17.993 6.052 1.00 55.22 H new ATOM 0 HB2 ASP A 47 21.774 -15.498 5.768 1.00 35.55 H new ATOM 0 HB3 ASP A 47 20.135 -15.245 5.200 1.00 35.55 H new ATOM 712 N PHE A 48 20.134 -16.812 2.972 1.00 64.30 N ATOM 713 CA PHE A 48 19.290 -16.821 1.783 1.00 64.44 C ATOM 714 C PHE A 48 18.846 -18.241 1.441 1.00 11.41 C ATOM 715 O PHE A 48 17.673 -18.487 1.163 1.00 74.22 O ATOM 716 CB PHE A 48 20.037 -16.208 0.597 1.00 22.22 C ATOM 717 CG PHE A 48 19.128 -15.702 -0.487 1.00 52.44 C ATOM 718 CD1 PHE A 48 18.524 -14.459 -0.378 1.00 63.45 C ATOM 719 CD2 PHE A 48 18.878 -16.468 -1.614 1.00 12.05 C ATOM 720 CE1 PHE A 48 17.688 -13.990 -1.374 1.00 14.24 C ATOM 721 CE2 PHE A 48 18.044 -16.004 -2.613 1.00 10.41 C ATOM 722 CZ PHE A 48 17.446 -14.764 -2.493 1.00 43.02 C ATOM 0 H PHE A 48 21.022 -16.324 2.855 1.00 64.30 H new ATOM 0 HA PHE A 48 18.403 -16.223 1.993 1.00 64.44 H new ATOM 0 HB2 PHE A 48 20.657 -15.385 0.954 1.00 22.22 H new ATOM 0 HB3 PHE A 48 20.710 -16.955 0.176 1.00 22.22 H new ATOM 0 HD1 PHE A 48 18.709 -13.850 0.495 1.00 63.45 H new ATOM 0 HD2 PHE A 48 19.340 -17.439 -1.713 1.00 12.05 H new ATOM 0 HE1 PHE A 48 17.224 -13.019 -1.278 1.00 14.24 H new ATOM 0 HE2 PHE A 48 17.859 -16.610 -3.488 1.00 10.41 H new ATOM 0 HZ PHE A 48 16.791 -14.401 -3.271 1.00 43.02 H new ATOM 732 N VAL A 49 19.795 -19.172 1.463 1.00 31.14 N ATOM 733 CA VAL A 49 19.505 -20.567 1.156 1.00 4.02 C ATOM 734 C VAL A 49 18.407 -21.111 2.062 1.00 75.11 C ATOM 735 O VAL A 49 17.396 -21.631 1.587 1.00 13.45 O ATOM 736 CB VAL A 49 20.760 -21.447 1.302 1.00 23.20 C ATOM 737 CG1 VAL A 49 20.415 -22.912 1.076 1.00 42.05 C ATOM 738 CG2 VAL A 49 21.845 -20.992 0.339 1.00 40.22 C ATOM 0 H VAL A 49 20.772 -18.985 1.690 1.00 31.14 H new ATOM 0 HA VAL A 49 19.167 -20.600 0.120 1.00 4.02 H new ATOM 0 HB VAL A 49 21.140 -21.341 2.318 1.00 23.20 H new ATOM 0 HG11 VAL A 49 21.314 -23.518 1.183 1.00 42.05 H new ATOM 0 HG12 VAL A 49 19.674 -23.229 1.810 1.00 42.05 H new ATOM 0 HG13 VAL A 49 20.009 -23.040 0.073 1.00 42.05 H new ATOM 0 HG21 VAL A 49 22.724 -21.625 0.456 1.00 40.22 H new ATOM 0 HG22 VAL A 49 21.478 -21.067 -0.685 1.00 40.22 H new ATOM 0 HG23 VAL A 49 22.112 -19.957 0.554 1.00 40.22 H new ATOM 748 N ASP A 50 18.611 -20.989 3.369 1.00 22.50 N ATOM 749 CA ASP A 50 17.637 -21.468 4.343 1.00 13.12 C ATOM 750 C ASP A 50 16.294 -20.767 4.160 1.00 71.13 C ATOM 751 O ASP A 50 15.242 -21.330 4.460 1.00 54.43 O ATOM 752 CB ASP A 50 18.154 -21.243 5.765 1.00 0.42 C ATOM 753 CG ASP A 50 17.426 -22.093 6.788 1.00 65.22 C ATOM 754 OD1 ASP A 50 17.482 -23.337 6.673 1.00 60.22 O ATOM 755 OD2 ASP A 50 16.800 -21.517 7.701 1.00 24.13 O ATOM 0 H ASP A 50 19.442 -20.562 3.779 1.00 22.50 H new ATOM 0 HA ASP A 50 17.493 -22.536 4.181 1.00 13.12 H new ATOM 0 HB2 ASP A 50 19.220 -21.470 5.801 1.00 0.42 H new ATOM 0 HB3 ASP A 50 18.043 -20.191 6.026 1.00 0.42 H new ATOM 760 N LEU A 51 16.340 -19.534 3.666 1.00 21.14 N ATOM 761 CA LEU A 51 15.126 -18.756 3.442 1.00 73.32 C ATOM 762 C LEU A 51 14.299 -19.349 2.307 1.00 12.04 C ATOM 763 O LEU A 51 13.137 -19.710 2.497 1.00 41.05 O ATOM 764 CB LEU A 51 15.482 -17.302 3.124 1.00 42.44 C ATOM 765 CG LEU A 51 15.442 -16.327 4.301 1.00 31.31 C ATOM 766 CD1 LEU A 51 16.407 -15.175 4.073 1.00 12.25 C ATOM 767 CD2 LEU A 51 14.028 -15.807 4.515 1.00 62.45 C ATOM 0 H LEU A 51 17.203 -19.052 3.413 1.00 21.14 H new ATOM 0 HA LEU A 51 14.530 -18.788 4.354 1.00 73.32 H new ATOM 0 HB2 LEU A 51 16.483 -17.280 2.694 1.00 42.44 H new ATOM 0 HB3 LEU A 51 14.798 -16.941 2.356 1.00 42.44 H new ATOM 0 HG LEU A 51 15.751 -16.860 5.200 1.00 31.31 H new ATOM 0 HD11 LEU A 51 16.365 -14.492 4.921 1.00 12.25 H new ATOM 0 HD12 LEU A 51 17.420 -15.564 3.971 1.00 12.25 H new ATOM 0 HD13 LEU A 51 16.129 -14.642 3.163 1.00 12.25 H new ATOM 0 HD21 LEU A 51 14.019 -15.114 5.357 1.00 62.45 H new ATOM 0 HD22 LEU A 51 13.690 -15.291 3.616 1.00 62.45 H new ATOM 0 HD23 LEU A 51 13.361 -16.643 4.725 1.00 62.45 H new ATOM 779 N ILE A 52 14.905 -19.449 1.130 1.00 42.41 N ATOM 780 CA ILE A 52 14.225 -20.003 -0.035 1.00 64.52 C ATOM 781 C ILE A 52 13.781 -21.439 0.219 1.00 62.04 C ATOM 782 O ILE A 52 12.718 -21.860 -0.236 1.00 73.21 O ATOM 783 CB ILE A 52 15.127 -19.968 -1.283 1.00 52.01 C ATOM 784 CG1 ILE A 52 16.453 -20.678 -0.999 1.00 60.25 C ATOM 785 CG2 ILE A 52 15.372 -18.533 -1.721 1.00 40.14 C ATOM 786 CD1 ILE A 52 17.426 -20.626 -2.157 1.00 45.42 C ATOM 0 H ILE A 52 15.866 -19.154 0.957 1.00 42.41 H new ATOM 0 HA ILE A 52 13.348 -19.381 -0.214 1.00 64.52 H new ATOM 0 HB ILE A 52 14.621 -20.492 -2.094 1.00 52.01 H new ATOM 0 HG12 ILE A 52 16.918 -20.225 -0.123 1.00 60.25 H new ATOM 0 HG13 ILE A 52 16.252 -21.720 -0.750 1.00 60.25 H new ATOM 0 HG21 ILE A 52 16.011 -18.526 -2.604 1.00 40.14 H new ATOM 0 HG22 ILE A 52 14.420 -18.057 -1.958 1.00 40.14 H new ATOM 0 HG23 ILE A 52 15.861 -17.985 -0.915 1.00 40.14 H new ATOM 0 HD11 ILE A 52 18.343 -21.149 -1.885 1.00 45.42 H new ATOM 0 HD12 ILE A 52 16.980 -21.105 -3.029 1.00 45.42 H new ATOM 0 HD13 ILE A 52 17.657 -19.587 -2.392 1.00 45.42 H new ATOM 798 N MET A 53 14.601 -22.185 0.950 1.00 51.11 N ATOM 799 CA MET A 53 14.292 -23.575 1.267 1.00 32.40 C ATOM 800 C MET A 53 13.112 -23.662 2.230 1.00 13.42 C ATOM 801 O MET A 53 12.236 -24.513 2.078 1.00 74.24 O ATOM 802 CB MET A 53 15.513 -24.267 1.876 1.00 44.13 C ATOM 803 CG MET A 53 16.607 -24.567 0.864 1.00 25.10 C ATOM 804 SD MET A 53 17.298 -26.221 1.058 1.00 72.30 S ATOM 805 CE MET A 53 15.877 -27.231 0.645 1.00 3.12 C ATOM 0 H MET A 53 15.485 -21.851 1.334 1.00 51.11 H new ATOM 0 HA MET A 53 14.022 -24.081 0.340 1.00 32.40 H new ATOM 0 HB2 MET A 53 15.922 -23.636 2.665 1.00 44.13 H new ATOM 0 HB3 MET A 53 15.197 -25.199 2.344 1.00 44.13 H new ATOM 0 HG2 MET A 53 16.204 -24.462 -0.143 1.00 25.10 H new ATOM 0 HG3 MET A 53 17.404 -23.830 0.967 1.00 25.10 H new ATOM 0 HE1 MET A 53 16.214 -28.204 0.287 1.00 3.12 H new ATOM 0 HE2 MET A 53 15.256 -27.365 1.531 1.00 3.12 H new ATOM 0 HE3 MET A 53 15.295 -26.739 -0.135 1.00 3.12 H new ATOM 815 N SER A 54 13.096 -22.777 3.222 1.00 2.33 N ATOM 816 CA SER A 54 12.026 -22.757 4.212 1.00 62.54 C ATOM 817 C SER A 54 10.682 -22.463 3.553 1.00 44.30 C ATOM 818 O SER A 54 9.703 -23.180 3.765 1.00 20.01 O ATOM 819 CB SER A 54 12.318 -21.711 5.290 1.00 71.54 C ATOM 820 OG SER A 54 12.157 -20.398 4.782 1.00 73.12 O ATOM 0 H SER A 54 13.812 -22.064 3.361 1.00 2.33 H new ATOM 0 HA SER A 54 11.976 -23.742 4.676 1.00 62.54 H new ATOM 0 HB2 SER A 54 11.649 -21.861 6.138 1.00 71.54 H new ATOM 0 HB3 SER A 54 13.335 -21.839 5.660 1.00 71.54 H new ATOM 0 HG SER A 54 12.874 -20.204 4.143 1.00 73.12 H new ATOM 826 N LEU A 55 10.642 -21.404 2.751 1.00 14.25 N ATOM 827 CA LEU A 55 9.418 -21.013 2.060 1.00 10.24 C ATOM 828 C LEU A 55 9.028 -22.054 1.015 1.00 75.25 C ATOM 829 O LEU A 55 7.845 -22.333 0.817 1.00 71.11 O ATOM 830 CB LEU A 55 9.599 -19.648 1.394 1.00 41.14 C ATOM 831 CG LEU A 55 9.202 -18.434 2.234 1.00 21.31 C ATOM 832 CD1 LEU A 55 9.653 -17.148 1.559 1.00 72.20 C ATOM 833 CD2 LEU A 55 7.697 -18.416 2.467 1.00 42.13 C ATOM 0 H LEU A 55 11.443 -20.801 2.563 1.00 14.25 H new ATOM 0 HA LEU A 55 8.618 -20.947 2.797 1.00 10.24 H new ATOM 0 HB2 LEU A 55 10.646 -19.541 1.109 1.00 41.14 H new ATOM 0 HB3 LEU A 55 9.015 -19.635 0.474 1.00 41.14 H new ATOM 0 HG LEU A 55 9.699 -18.507 3.201 1.00 21.31 H new ATOM 0 HD11 LEU A 55 9.362 -16.294 2.171 1.00 72.20 H new ATOM 0 HD12 LEU A 55 10.737 -17.159 1.443 1.00 72.20 H new ATOM 0 HD13 LEU A 55 9.184 -17.068 0.578 1.00 72.20 H new ATOM 0 HD21 LEU A 55 7.432 -17.545 3.067 1.00 42.13 H new ATOM 0 HD22 LEU A 55 7.181 -18.367 1.508 1.00 42.13 H new ATOM 0 HD23 LEU A 55 7.399 -19.323 2.993 1.00 42.13 H new ATOM 845 N GLU A 56 10.028 -22.626 0.353 1.00 54.04 N ATOM 846 CA GLU A 56 9.788 -23.636 -0.670 1.00 2.32 C ATOM 847 C GLU A 56 9.036 -24.831 -0.089 1.00 62.44 C ATOM 848 O GLU A 56 8.008 -25.248 -0.622 1.00 54.25 O ATOM 849 CB GLU A 56 11.112 -24.101 -1.280 1.00 1.43 C ATOM 850 CG GLU A 56 10.944 -25.127 -2.388 1.00 42.31 C ATOM 851 CD GLU A 56 12.222 -25.894 -2.671 1.00 5.51 C ATOM 852 OE1 GLU A 56 12.884 -26.320 -1.702 1.00 14.34 O ATOM 853 OE2 GLU A 56 12.559 -26.067 -3.860 1.00 62.11 O ATOM 0 H GLU A 56 11.012 -22.407 0.507 1.00 54.04 H new ATOM 0 HA GLU A 56 9.174 -23.187 -1.451 1.00 2.32 H new ATOM 0 HB2 GLU A 56 11.644 -23.236 -1.675 1.00 1.43 H new ATOM 0 HB3 GLU A 56 11.735 -24.527 -0.494 1.00 1.43 H new ATOM 0 HG2 GLU A 56 10.157 -25.829 -2.112 1.00 42.31 H new ATOM 0 HG3 GLU A 56 10.618 -24.624 -3.298 1.00 42.31 H new ATOM 860 N GLU A 57 9.557 -25.374 1.006 1.00 54.50 N ATOM 861 CA GLU A 57 8.936 -26.521 1.658 1.00 24.33 C ATOM 862 C GLU A 57 7.641 -26.114 2.358 1.00 63.24 C ATOM 863 O GLU A 57 6.706 -26.906 2.464 1.00 51.32 O ATOM 864 CB GLU A 57 9.900 -27.144 2.670 1.00 70.42 C ATOM 865 CG GLU A 57 10.147 -26.276 3.892 1.00 45.51 C ATOM 866 CD GLU A 57 11.028 -26.955 4.922 1.00 41.40 C ATOM 867 OE1 GLU A 57 11.966 -27.675 4.519 1.00 54.52 O ATOM 868 OE2 GLU A 57 10.780 -26.766 6.131 1.00 54.44 O ATOM 0 H GLU A 57 10.407 -25.039 1.460 1.00 54.50 H new ATOM 0 HA GLU A 57 8.699 -27.258 0.891 1.00 24.33 H new ATOM 0 HB2 GLU A 57 9.502 -28.106 2.993 1.00 70.42 H new ATOM 0 HB3 GLU A 57 10.852 -27.342 2.177 1.00 70.42 H new ATOM 0 HG2 GLU A 57 10.613 -25.341 3.581 1.00 45.51 H new ATOM 0 HG3 GLU A 57 9.192 -26.019 4.349 1.00 45.51 H new ATOM 875 N ARG A 58 7.598 -24.873 2.833 1.00 53.32 N ATOM 876 CA ARG A 58 6.420 -24.361 3.524 1.00 13.33 C ATOM 877 C ARG A 58 5.192 -24.420 2.620 1.00 74.53 C ATOM 878 O ARG A 58 4.178 -25.024 2.971 1.00 31.54 O ATOM 879 CB ARG A 58 6.659 -22.923 3.985 1.00 54.15 C ATOM 880 CG ARG A 58 5.486 -22.324 4.745 1.00 74.42 C ATOM 881 CD ARG A 58 5.647 -22.502 6.247 1.00 52.45 C ATOM 882 NE ARG A 58 5.224 -23.829 6.689 1.00 53.44 N ATOM 883 CZ ARG A 58 5.056 -24.159 7.965 1.00 23.30 C ATOM 884 NH1 ARG A 58 5.275 -23.265 8.919 1.00 42.21 N ATOM 885 NH2 ARG A 58 4.669 -25.387 8.288 1.00 23.43 N ATOM 0 H ARG A 58 8.364 -24.204 2.752 1.00 53.32 H new ATOM 0 HA ARG A 58 6.238 -24.989 4.396 1.00 13.33 H new ATOM 0 HB2 ARG A 58 7.544 -22.896 4.620 1.00 54.15 H new ATOM 0 HB3 ARG A 58 6.872 -22.302 3.115 1.00 54.15 H new ATOM 0 HG2 ARG A 58 5.402 -21.263 4.510 1.00 74.42 H new ATOM 0 HG3 ARG A 58 4.560 -22.797 4.419 1.00 74.42 H new ATOM 0 HD2 ARG A 58 6.690 -22.344 6.521 1.00 52.45 H new ATOM 0 HD3 ARG A 58 5.062 -21.743 6.767 1.00 52.45 H new ATOM 0 HE ARG A 58 5.048 -24.540 5.980 1.00 53.44 H new ATOM 0 HH11 ARG A 58 5.573 -22.321 8.674 1.00 42.21 H new ATOM 0 HH12 ARG A 58 5.145 -23.521 9.898 1.00 42.21 H new ATOM 0 HH21 ARG A 58 4.501 -26.078 7.557 1.00 23.43 H new ATOM 0 HH22 ARG A 58 4.540 -25.640 9.268 1.00 23.43 H new ATOM 899 N PHE A 59 5.290 -23.788 1.455 1.00 13.35 N ATOM 900 CA PHE A 59 4.187 -23.766 0.502 1.00 45.43 C ATOM 901 C PHE A 59 4.362 -24.850 -0.558 1.00 63.14 C ATOM 902 O PHE A 59 3.644 -24.879 -1.557 1.00 53.21 O ATOM 903 CB PHE A 59 4.090 -22.393 -0.168 1.00 45.14 C ATOM 904 CG PHE A 59 3.590 -21.313 0.749 1.00 12.43 C ATOM 905 CD1 PHE A 59 4.476 -20.578 1.521 1.00 75.51 C ATOM 906 CD2 PHE A 59 2.237 -21.033 0.837 1.00 71.35 C ATOM 907 CE1 PHE A 59 4.019 -19.584 2.365 1.00 32.52 C ATOM 908 CE2 PHE A 59 1.775 -20.039 1.679 1.00 62.10 C ATOM 909 CZ PHE A 59 2.667 -19.314 2.445 1.00 34.21 C ATOM 0 H PHE A 59 6.122 -23.284 1.148 1.00 13.35 H new ATOM 0 HA PHE A 59 3.264 -23.962 1.048 1.00 45.43 H new ATOM 0 HB2 PHE A 59 5.073 -22.112 -0.546 1.00 45.14 H new ATOM 0 HB3 PHE A 59 3.426 -22.464 -1.029 1.00 45.14 H new ATOM 0 HD1 PHE A 59 5.534 -20.784 1.462 1.00 75.51 H new ATOM 0 HD2 PHE A 59 1.535 -21.597 0.241 1.00 71.35 H new ATOM 0 HE1 PHE A 59 4.719 -19.018 2.962 1.00 32.52 H new ATOM 0 HE2 PHE A 59 0.717 -19.829 1.738 1.00 62.10 H new ATOM 0 HZ PHE A 59 2.308 -18.538 3.105 1.00 34.21 H new ATOM 919 N SER A 60 5.323 -25.741 -0.331 1.00 31.03 N ATOM 920 CA SER A 60 5.596 -26.824 -1.267 1.00 23.01 C ATOM 921 C SER A 60 5.781 -26.286 -2.683 1.00 74.45 C ATOM 922 O SER A 60 5.490 -26.971 -3.664 1.00 64.52 O ATOM 923 CB SER A 60 4.459 -27.847 -1.243 1.00 35.11 C ATOM 924 OG SER A 60 3.425 -27.481 -2.140 1.00 74.33 O ATOM 0 H SER A 60 5.925 -25.733 0.493 1.00 31.03 H new ATOM 0 HA SER A 60 6.521 -27.312 -0.959 1.00 23.01 H new ATOM 0 HB2 SER A 60 4.845 -28.831 -1.510 1.00 35.11 H new ATOM 0 HB3 SER A 60 4.057 -27.926 -0.233 1.00 35.11 H new ATOM 0 HG SER A 60 3.254 -26.519 -2.067 1.00 74.33 H new ATOM 930 N LEU A 61 6.269 -25.053 -2.782 1.00 21.40 N ATOM 931 CA LEU A 61 6.494 -24.421 -4.077 1.00 71.22 C ATOM 932 C LEU A 61 7.738 -24.989 -4.752 1.00 54.53 C ATOM 933 O LEU A 61 8.641 -25.494 -4.085 1.00 0.43 O ATOM 934 CB LEU A 61 6.638 -22.907 -3.908 1.00 74.25 C ATOM 935 CG LEU A 61 6.937 -22.116 -5.182 1.00 13.52 C ATOM 936 CD1 LEU A 61 5.813 -22.284 -6.191 1.00 25.20 C ATOM 937 CD2 LEU A 61 7.151 -20.645 -4.858 1.00 62.50 C ATOM 0 H LEU A 61 6.516 -24.472 -1.981 1.00 21.40 H new ATOM 0 HA LEU A 61 5.632 -24.630 -4.711 1.00 71.22 H new ATOM 0 HB2 LEU A 61 5.717 -22.521 -3.472 1.00 74.25 H new ATOM 0 HB3 LEU A 61 7.435 -22.716 -3.190 1.00 74.25 H new ATOM 0 HG LEU A 61 7.854 -22.507 -5.623 1.00 13.52 H new ATOM 0 HD11 LEU A 61 6.044 -21.714 -7.091 1.00 25.20 H new ATOM 0 HD12 LEU A 61 5.708 -23.338 -6.446 1.00 25.20 H new ATOM 0 HD13 LEU A 61 4.880 -21.920 -5.760 1.00 25.20 H new ATOM 0 HD21 LEU A 61 7.363 -20.097 -5.776 1.00 62.50 H new ATOM 0 HD22 LEU A 61 6.252 -20.240 -4.393 1.00 62.50 H new ATOM 0 HD23 LEU A 61 7.992 -20.542 -4.172 1.00 62.50 H new ATOM 949 N GLU A 62 7.778 -24.902 -6.077 1.00 64.11 N ATOM 950 CA GLU A 62 8.913 -25.407 -6.841 1.00 40.54 C ATOM 951 C GLU A 62 9.802 -24.261 -7.316 1.00 32.21 C ATOM 952 O GLU A 62 9.553 -23.660 -8.361 1.00 65.30 O ATOM 953 CB GLU A 62 8.425 -26.220 -8.043 1.00 3.23 C ATOM 954 CG GLU A 62 9.415 -27.277 -8.503 1.00 44.02 C ATOM 955 CD GLU A 62 9.012 -27.919 -9.817 1.00 2.22 C ATOM 956 OE1 GLU A 62 7.953 -27.541 -10.361 1.00 33.24 O ATOM 957 OE2 GLU A 62 9.755 -28.799 -10.300 1.00 32.41 O ATOM 0 H GLU A 62 7.039 -24.487 -6.644 1.00 64.11 H new ATOM 0 HA GLU A 62 9.500 -26.053 -6.188 1.00 40.54 H new ATOM 0 HB2 GLU A 62 7.483 -26.704 -7.786 1.00 3.23 H new ATOM 0 HB3 GLU A 62 8.219 -25.542 -8.871 1.00 3.23 H new ATOM 0 HG2 GLU A 62 10.401 -26.824 -8.611 1.00 44.02 H new ATOM 0 HG3 GLU A 62 9.500 -28.048 -7.737 1.00 44.02 H new ATOM 964 N ILE A 63 10.839 -23.964 -6.540 1.00 12.34 N ATOM 965 CA ILE A 63 11.765 -22.892 -6.880 1.00 13.42 C ATOM 966 C ILE A 63 13.025 -23.443 -7.540 1.00 50.35 C ATOM 967 O ILE A 63 13.561 -24.469 -7.121 1.00 1.03 O ATOM 968 CB ILE A 63 12.166 -22.078 -5.636 1.00 13.21 C ATOM 969 CG1 ILE A 63 10.919 -21.545 -4.926 1.00 12.13 C ATOM 970 CG2 ILE A 63 13.090 -20.934 -6.026 1.00 44.33 C ATOM 971 CD1 ILE A 63 11.202 -20.983 -3.549 1.00 31.30 C ATOM 0 H ILE A 63 11.059 -24.451 -5.671 1.00 12.34 H new ATOM 0 HA ILE A 63 11.246 -22.238 -7.581 1.00 13.42 H new ATOM 0 HB ILE A 63 12.702 -22.732 -4.948 1.00 13.21 H new ATOM 0 HG12 ILE A 63 10.465 -20.768 -5.541 1.00 12.13 H new ATOM 0 HG13 ILE A 63 10.189 -22.349 -4.838 1.00 12.13 H new ATOM 0 HG21 ILE A 63 13.364 -20.368 -5.136 1.00 44.33 H new ATOM 0 HG22 ILE A 63 13.990 -21.336 -6.492 1.00 44.33 H new ATOM 0 HG23 ILE A 63 12.579 -20.277 -6.730 1.00 44.33 H new ATOM 0 HD11 ILE A 63 10.274 -20.624 -3.105 1.00 31.30 H new ATOM 0 HD12 ILE A 63 11.628 -21.763 -2.918 1.00 31.30 H new ATOM 0 HD13 ILE A 63 11.908 -20.157 -3.631 1.00 31.30 H new ATOM 983 N SER A 64 13.494 -22.753 -8.575 1.00 62.12 N ATOM 984 CA SER A 64 14.689 -23.174 -9.296 1.00 24.42 C ATOM 985 C SER A 64 15.855 -22.231 -9.012 1.00 43.13 C ATOM 986 O SER A 64 15.765 -21.356 -8.149 1.00 51.43 O ATOM 987 CB SER A 64 14.414 -23.223 -10.799 1.00 11.30 C ATOM 988 OG SER A 64 13.200 -23.902 -11.074 1.00 62.42 O ATOM 0 H SER A 64 13.064 -21.900 -8.933 1.00 62.12 H new ATOM 0 HA SER A 64 14.958 -24.172 -8.951 1.00 24.42 H new ATOM 0 HB2 SER A 64 14.365 -22.209 -11.196 1.00 11.30 H new ATOM 0 HB3 SER A 64 15.238 -23.725 -11.306 1.00 11.30 H new ATOM 0 HG SER A 64 12.446 -23.287 -10.952 1.00 62.42 H new ATOM 994 N ASP A 65 16.948 -22.415 -9.743 1.00 62.34 N ATOM 995 CA ASP A 65 18.132 -21.581 -9.571 1.00 23.42 C ATOM 996 C ASP A 65 17.945 -20.226 -10.248 1.00 74.13 C ATOM 997 O ASP A 65 18.389 -19.199 -9.736 1.00 54.05 O ATOM 998 CB ASP A 65 19.365 -22.283 -10.142 1.00 52.11 C ATOM 999 CG ASP A 65 20.660 -21.707 -9.606 1.00 70.32 C ATOM 1000 OD1 ASP A 65 20.898 -20.497 -9.808 1.00 71.50 O ATOM 1001 OD2 ASP A 65 21.437 -22.464 -8.987 1.00 61.43 O ATOM 0 H ASP A 65 17.039 -23.134 -10.461 1.00 62.34 H new ATOM 0 HA ASP A 65 18.278 -21.418 -8.503 1.00 23.42 H new ATOM 0 HB2 ASP A 65 19.317 -23.346 -9.904 1.00 52.11 H new ATOM 0 HB3 ASP A 65 19.356 -22.200 -11.229 1.00 52.11 H new ATOM 1006 N GLU A 66 17.287 -20.233 -11.403 1.00 21.54 N ATOM 1007 CA GLU A 66 17.043 -19.005 -12.150 1.00 3.53 C ATOM 1008 C GLU A 66 15.943 -18.176 -11.492 1.00 44.45 C ATOM 1009 O GLU A 66 16.032 -16.950 -11.424 1.00 51.24 O ATOM 1010 CB GLU A 66 16.657 -19.329 -13.595 1.00 13.04 C ATOM 1011 CG GLU A 66 17.844 -19.396 -14.542 1.00 65.22 C ATOM 1012 CD GLU A 66 18.751 -20.577 -14.255 1.00 70.22 C ATOM 1013 OE1 GLU A 66 18.280 -21.728 -14.369 1.00 23.41 O ATOM 1014 OE2 GLU A 66 19.932 -20.350 -13.918 1.00 75.31 O ATOM 0 H GLU A 66 16.914 -21.075 -11.841 1.00 21.54 H new ATOM 0 HA GLU A 66 17.963 -18.421 -12.149 1.00 3.53 H new ATOM 0 HB2 GLU A 66 16.132 -20.284 -13.616 1.00 13.04 H new ATOM 0 HB3 GLU A 66 15.959 -18.573 -13.954 1.00 13.04 H new ATOM 0 HG2 GLU A 66 17.482 -19.461 -15.568 1.00 65.22 H new ATOM 0 HG3 GLU A 66 18.419 -18.473 -14.464 1.00 65.22 H new ATOM 1021 N ASP A 67 14.909 -18.855 -11.009 1.00 50.34 N ATOM 1022 CA ASP A 67 13.792 -18.183 -10.355 1.00 4.40 C ATOM 1023 C ASP A 67 14.286 -17.264 -9.242 1.00 63.04 C ATOM 1024 O ASP A 67 13.903 -16.097 -9.171 1.00 63.01 O ATOM 1025 CB ASP A 67 12.812 -19.210 -9.787 1.00 31.35 C ATOM 1026 CG ASP A 67 12.291 -20.162 -10.848 1.00 43.02 C ATOM 1027 OD1 ASP A 67 12.340 -19.801 -12.042 1.00 23.01 O ATOM 1028 OD2 ASP A 67 11.835 -21.265 -10.482 1.00 3.12 O ATOM 0 H ASP A 67 14.821 -19.870 -11.058 1.00 50.34 H new ATOM 0 HA ASP A 67 13.279 -17.577 -11.101 1.00 4.40 H new ATOM 0 HB2 ASP A 67 13.305 -19.782 -9.000 1.00 31.35 H new ATOM 0 HB3 ASP A 67 11.972 -18.690 -9.325 1.00 31.35 H new ATOM 1033 N ALA A 68 15.138 -17.800 -8.374 1.00 50.52 N ATOM 1034 CA ALA A 68 15.685 -17.029 -7.265 1.00 14.12 C ATOM 1035 C ALA A 68 16.669 -15.975 -7.763 1.00 75.14 C ATOM 1036 O ALA A 68 16.917 -14.976 -7.086 1.00 20.01 O ATOM 1037 CB ALA A 68 16.360 -17.952 -6.263 1.00 45.43 C ATOM 0 H ALA A 68 15.464 -18.765 -8.418 1.00 50.52 H new ATOM 0 HA ALA A 68 14.861 -16.515 -6.770 1.00 14.12 H new ATOM 0 HB1 ALA A 68 16.764 -17.362 -5.440 1.00 45.43 H new ATOM 0 HB2 ALA A 68 15.631 -18.664 -5.876 1.00 45.43 H new ATOM 0 HB3 ALA A 68 17.169 -18.492 -6.754 1.00 45.43 H new ATOM 1043 N GLN A 69 17.226 -16.204 -8.947 1.00 33.43 N ATOM 1044 CA GLN A 69 18.184 -15.274 -9.534 1.00 50.50 C ATOM 1045 C GLN A 69 17.558 -13.897 -9.726 1.00 42.43 C ATOM 1046 O GLN A 69 18.261 -12.893 -9.843 1.00 20.02 O ATOM 1047 CB GLN A 69 18.691 -15.808 -10.874 1.00 42.55 C ATOM 1048 CG GLN A 69 20.207 -15.855 -10.976 1.00 42.41 C ATOM 1049 CD GLN A 69 20.694 -15.870 -12.411 1.00 21.43 C ATOM 1050 OE1 GLN A 69 20.226 -15.097 -13.248 1.00 60.33 O ATOM 1051 NE2 GLN A 69 21.641 -16.754 -12.705 1.00 70.11 N ATOM 0 H GLN A 69 17.031 -17.025 -9.519 1.00 33.43 H new ATOM 0 HA GLN A 69 19.026 -15.178 -8.848 1.00 50.50 H new ATOM 0 HB2 GLN A 69 18.293 -16.811 -11.030 1.00 42.55 H new ATOM 0 HB3 GLN A 69 18.300 -15.182 -11.676 1.00 42.55 H new ATOM 0 HG2 GLN A 69 20.629 -14.991 -10.462 1.00 42.41 H new ATOM 0 HG3 GLN A 69 20.575 -16.743 -10.462 1.00 42.41 H new ATOM 0 HE21 GLN A 69 22.001 -17.376 -11.981 1.00 70.11 H new ATOM 0 HE22 GLN A 69 22.008 -16.811 -13.655 1.00 70.11 H new ATOM 1060 N LYS A 70 16.230 -13.855 -9.757 1.00 74.45 N ATOM 1061 CA LYS A 70 15.507 -12.601 -9.934 1.00 1.53 C ATOM 1062 C LYS A 70 14.810 -12.187 -8.641 1.00 1.43 C ATOM 1063 O LYS A 70 14.494 -11.014 -8.443 1.00 51.12 O ATOM 1064 CB LYS A 70 14.479 -12.736 -11.060 1.00 34.22 C ATOM 1065 CG LYS A 70 13.381 -13.743 -10.763 1.00 63.44 C ATOM 1066 CD LYS A 70 12.118 -13.437 -11.549 1.00 33.11 C ATOM 1067 CE LYS A 70 12.191 -13.993 -12.962 1.00 71.42 C ATOM 1068 NZ LYS A 70 13.036 -13.145 -13.849 1.00 44.31 N ATOM 0 H LYS A 70 15.632 -14.676 -9.662 1.00 74.45 H new ATOM 0 HA LYS A 70 16.229 -11.829 -10.200 1.00 1.53 H new ATOM 0 HB2 LYS A 70 14.027 -11.762 -11.246 1.00 34.22 H new ATOM 0 HB3 LYS A 70 14.992 -13.030 -11.976 1.00 34.22 H new ATOM 0 HG2 LYS A 70 13.730 -14.746 -11.009 1.00 63.44 H new ATOM 0 HG3 LYS A 70 13.158 -13.735 -9.696 1.00 63.44 H new ATOM 0 HD2 LYS A 70 11.256 -13.862 -11.034 1.00 33.11 H new ATOM 0 HD3 LYS A 70 11.966 -12.358 -11.589 1.00 33.11 H new ATOM 0 HE2 LYS A 70 12.596 -15.005 -12.934 1.00 71.42 H new ATOM 0 HE3 LYS A 70 11.186 -14.063 -13.377 1.00 71.42 H new ATOM 0 HZ1 LYS A 70 12.649 -13.159 -14.814 1.00 44.31 H new ATOM 0 HZ2 LYS A 70 13.042 -12.168 -13.492 1.00 44.31 H new ATOM 0 HZ3 LYS A 70 14.008 -13.515 -13.861 1.00 44.31 H new ATOM 1082 N LEU A 71 14.576 -13.158 -7.765 1.00 13.15 N ATOM 1083 CA LEU A 71 13.918 -12.893 -6.490 1.00 10.42 C ATOM 1084 C LEU A 71 14.908 -12.340 -5.471 1.00 61.30 C ATOM 1085 O LEU A 71 15.573 -13.096 -4.763 1.00 61.23 O ATOM 1086 CB LEU A 71 13.275 -14.173 -5.951 1.00 23.55 C ATOM 1087 CG LEU A 71 12.103 -14.728 -6.761 1.00 21.50 C ATOM 1088 CD1 LEU A 71 11.513 -15.951 -6.077 1.00 21.03 C ATOM 1089 CD2 LEU A 71 11.038 -13.660 -6.958 1.00 12.53 C ATOM 0 H LEU A 71 14.832 -14.134 -7.914 1.00 13.15 H new ATOM 0 HA LEU A 71 13.142 -12.146 -6.657 1.00 10.42 H new ATOM 0 HB2 LEU A 71 14.044 -14.943 -5.888 1.00 23.55 H new ATOM 0 HB3 LEU A 71 12.930 -13.982 -4.935 1.00 23.55 H new ATOM 0 HG LEU A 71 12.474 -15.029 -7.741 1.00 21.50 H new ATOM 0 HD11 LEU A 71 10.680 -16.332 -6.668 1.00 21.03 H new ATOM 0 HD12 LEU A 71 12.278 -16.723 -5.988 1.00 21.03 H new ATOM 0 HD13 LEU A 71 11.157 -15.676 -5.084 1.00 21.03 H new ATOM 0 HD21 LEU A 71 10.212 -14.073 -7.537 1.00 12.53 H new ATOM 0 HD22 LEU A 71 10.671 -13.329 -5.987 1.00 12.53 H new ATOM 0 HD23 LEU A 71 11.467 -12.812 -7.492 1.00 12.53 H new ATOM 1101 N GLU A 72 15.000 -11.015 -5.400 1.00 14.33 N ATOM 1102 CA GLU A 72 15.908 -10.361 -4.466 1.00 73.52 C ATOM 1103 C GLU A 72 15.138 -9.496 -3.474 1.00 43.43 C ATOM 1104 O GLU A 72 15.563 -9.309 -2.334 1.00 73.12 O ATOM 1105 CB GLU A 72 16.925 -9.505 -5.224 1.00 41.34 C ATOM 1106 CG GLU A 72 16.291 -8.435 -6.096 1.00 21.33 C ATOM 1107 CD GLU A 72 17.295 -7.406 -6.579 1.00 53.11 C ATOM 1108 OE1 GLU A 72 18.327 -7.810 -7.153 1.00 42.31 O ATOM 1109 OE2 GLU A 72 17.048 -6.198 -6.384 1.00 52.00 O ATOM 0 H GLU A 72 14.457 -10.374 -5.978 1.00 14.33 H new ATOM 0 HA GLU A 72 16.437 -11.136 -3.911 1.00 73.52 H new ATOM 0 HB2 GLU A 72 17.592 -9.028 -4.506 1.00 41.34 H new ATOM 0 HB3 GLU A 72 17.539 -10.154 -5.848 1.00 41.34 H new ATOM 0 HG2 GLU A 72 15.817 -8.907 -6.957 1.00 21.33 H new ATOM 0 HG3 GLU A 72 15.504 -7.933 -5.534 1.00 21.33 H new ATOM 1116 N THR A 73 14.000 -8.969 -3.917 1.00 72.44 N ATOM 1117 CA THR A 73 13.170 -8.121 -3.069 1.00 4.34 C ATOM 1118 C THR A 73 11.961 -8.886 -2.544 1.00 12.00 C ATOM 1119 O THR A 73 11.473 -9.815 -3.186 1.00 42.34 O ATOM 1120 CB THR A 73 12.682 -6.873 -3.829 1.00 65.13 C ATOM 1121 OG1 THR A 73 12.049 -7.261 -5.053 1.00 4.12 O ATOM 1122 CG2 THR A 73 13.842 -5.934 -4.127 1.00 4.33 C ATOM 0 H THR A 73 13.632 -9.114 -4.857 1.00 72.44 H new ATOM 0 HA THR A 73 13.791 -7.807 -2.230 1.00 4.34 H new ATOM 0 HB THR A 73 11.963 -6.349 -3.199 1.00 65.13 H new ATOM 0 HG1 THR A 73 11.740 -6.462 -5.529 1.00 4.12 H new ATOM 0 HG21 THR A 73 13.474 -5.060 -4.664 1.00 4.33 H new ATOM 0 HG22 THR A 73 14.303 -5.617 -3.192 1.00 4.33 H new ATOM 0 HG23 THR A 73 14.581 -6.451 -4.739 1.00 4.33 H new ATOM 1130 N VAL A 74 11.480 -8.489 -1.369 1.00 44.25 N ATOM 1131 CA VAL A 74 10.326 -9.136 -0.757 1.00 71.10 C ATOM 1132 C VAL A 74 9.143 -9.173 -1.718 1.00 60.12 C ATOM 1133 O VAL A 74 8.544 -10.225 -1.940 1.00 22.51 O ATOM 1134 CB VAL A 74 9.901 -8.417 0.537 1.00 25.12 C ATOM 1135 CG1 VAL A 74 8.790 -9.188 1.236 1.00 52.13 C ATOM 1136 CG2 VAL A 74 11.095 -8.232 1.461 1.00 34.04 C ATOM 0 H VAL A 74 11.872 -7.722 -0.823 1.00 44.25 H new ATOM 0 HA VAL A 74 10.625 -10.156 -0.515 1.00 71.10 H new ATOM 0 HB VAL A 74 9.518 -7.431 0.275 1.00 25.12 H new ATOM 0 HG11 VAL A 74 8.503 -8.665 2.148 1.00 52.13 H new ATOM 0 HG12 VAL A 74 7.927 -9.264 0.574 1.00 52.13 H new ATOM 0 HG13 VAL A 74 9.143 -10.188 1.487 1.00 52.13 H new ATOM 0 HG21 VAL A 74 10.776 -7.722 2.370 1.00 34.04 H new ATOM 0 HG22 VAL A 74 11.511 -9.206 1.718 1.00 34.04 H new ATOM 0 HG23 VAL A 74 11.855 -7.635 0.958 1.00 34.04 H new ATOM 1146 N ASP A 75 8.813 -8.018 -2.284 1.00 22.54 N ATOM 1147 CA ASP A 75 7.701 -7.918 -3.223 1.00 40.14 C ATOM 1148 C ASP A 75 7.840 -8.947 -4.341 1.00 70.00 C ATOM 1149 O ASP A 75 6.865 -9.588 -4.733 1.00 42.53 O ATOM 1150 CB ASP A 75 7.631 -6.509 -3.815 1.00 63.23 C ATOM 1151 CG ASP A 75 6.376 -6.288 -4.636 1.00 53.41 C ATOM 1152 OD1 ASP A 75 5.305 -6.787 -4.230 1.00 1.32 O ATOM 1153 OD2 ASP A 75 6.463 -5.615 -5.684 1.00 23.41 O ATOM 0 H ASP A 75 9.299 -7.138 -2.110 1.00 22.54 H new ATOM 0 HA ASP A 75 6.778 -8.121 -2.679 1.00 40.14 H new ATOM 0 HB2 ASP A 75 7.668 -5.777 -3.008 1.00 63.23 H new ATOM 0 HB3 ASP A 75 8.506 -6.337 -4.441 1.00 63.23 H new ATOM 1158 N ASP A 76 9.057 -9.097 -4.851 1.00 53.01 N ATOM 1159 CA ASP A 76 9.324 -10.048 -5.924 1.00 32.13 C ATOM 1160 C ASP A 76 9.118 -11.481 -5.445 1.00 4.15 C ATOM 1161 O ASP A 76 8.472 -12.285 -6.118 1.00 73.03 O ATOM 1162 CB ASP A 76 10.751 -9.872 -6.447 1.00 73.52 C ATOM 1163 CG ASP A 76 10.883 -8.686 -7.380 1.00 1.45 C ATOM 1164 OD1 ASP A 76 9.941 -7.868 -7.438 1.00 14.20 O ATOM 1165 OD2 ASP A 76 11.929 -8.574 -8.054 1.00 43.24 O ATOM 0 H ASP A 76 9.874 -8.573 -4.539 1.00 53.01 H new ATOM 0 HA ASP A 76 8.621 -9.851 -6.734 1.00 32.13 H new ATOM 0 HB2 ASP A 76 11.431 -9.745 -5.604 1.00 73.52 H new ATOM 0 HB3 ASP A 76 11.057 -10.778 -6.970 1.00 73.52 H new ATOM 1170 N ILE A 77 9.671 -11.795 -4.279 1.00 33.41 N ATOM 1171 CA ILE A 77 9.548 -13.132 -3.709 1.00 42.01 C ATOM 1172 C ILE A 77 8.087 -13.489 -3.459 1.00 14.23 C ATOM 1173 O ILE A 77 7.594 -14.505 -3.950 1.00 4.43 O ATOM 1174 CB ILE A 77 10.329 -13.255 -2.387 1.00 62.01 C ATOM 1175 CG1 ILE A 77 11.806 -12.924 -2.610 1.00 31.21 C ATOM 1176 CG2 ILE A 77 10.175 -14.653 -1.809 1.00 54.54 C ATOM 1177 CD1 ILE A 77 12.548 -12.585 -1.336 1.00 0.20 C ATOM 0 H ILE A 77 10.209 -11.142 -3.710 1.00 33.41 H new ATOM 0 HA ILE A 77 9.970 -13.826 -4.436 1.00 42.01 H new ATOM 0 HB ILE A 77 9.920 -12.541 -1.672 1.00 62.01 H new ATOM 0 HG12 ILE A 77 12.292 -13.774 -3.089 1.00 31.21 H new ATOM 0 HG13 ILE A 77 11.882 -12.083 -3.300 1.00 31.21 H new ATOM 0 HG21 ILE A 77 10.733 -14.724 -0.875 1.00 54.54 H new ATOM 0 HG22 ILE A 77 9.121 -14.854 -1.618 1.00 54.54 H new ATOM 0 HG23 ILE A 77 10.561 -15.385 -2.519 1.00 54.54 H new ATOM 0 HD11 ILE A 77 13.589 -12.361 -1.570 1.00 0.20 H new ATOM 0 HD12 ILE A 77 12.087 -11.716 -0.866 1.00 0.20 H new ATOM 0 HD13 ILE A 77 12.504 -13.433 -0.653 1.00 0.20 H new ATOM 1189 N CYS A 78 7.401 -12.647 -2.694 1.00 61.25 N ATOM 1190 CA CYS A 78 5.994 -12.874 -2.379 1.00 2.14 C ATOM 1191 C CYS A 78 5.159 -12.957 -3.652 1.00 72.24 C ATOM 1192 O CYS A 78 4.252 -13.783 -3.759 1.00 42.05 O ATOM 1193 CB CYS A 78 5.465 -11.757 -1.479 1.00 33.40 C ATOM 1194 SG CYS A 78 3.874 -12.124 -0.704 1.00 42.35 S ATOM 0 H CYS A 78 7.795 -11.802 -2.281 1.00 61.25 H new ATOM 0 HA CYS A 78 5.914 -13.824 -1.851 1.00 2.14 H new ATOM 0 HB2 CYS A 78 6.199 -11.555 -0.699 1.00 33.40 H new ATOM 0 HB3 CYS A 78 5.368 -10.845 -2.069 1.00 33.40 H new ATOM 0 HG CYS A 78 3.200 -12.937 -1.461 1.00 42.35 H new ATOM 1200 N ARG A 79 5.468 -12.094 -4.614 1.00 42.12 N ATOM 1201 CA ARG A 79 4.743 -12.067 -5.879 1.00 32.51 C ATOM 1202 C ARG A 79 4.925 -13.378 -6.637 1.00 62.11 C ATOM 1203 O ARG A 79 3.985 -13.893 -7.243 1.00 54.33 O ATOM 1204 CB ARG A 79 5.220 -10.896 -6.740 1.00 34.14 C ATOM 1205 CG ARG A 79 4.697 -10.936 -8.166 1.00 33.33 C ATOM 1206 CD ARG A 79 4.593 -9.539 -8.761 1.00 43.34 C ATOM 1207 NE ARG A 79 4.345 -9.574 -10.200 1.00 64.15 N ATOM 1208 CZ ARG A 79 4.488 -8.520 -10.995 1.00 42.12 C ATOM 1209 NH1 ARG A 79 4.875 -7.355 -10.495 1.00 41.13 N ATOM 1210 NH2 ARG A 79 4.244 -8.632 -12.295 1.00 72.00 N ATOM 0 H ARG A 79 6.216 -11.404 -4.542 1.00 42.12 H new ATOM 0 HA ARG A 79 3.683 -11.938 -5.659 1.00 32.51 H new ATOM 0 HB2 ARG A 79 4.907 -9.962 -6.273 1.00 34.14 H new ATOM 0 HB3 ARG A 79 6.310 -10.892 -6.762 1.00 34.14 H new ATOM 0 HG2 ARG A 79 5.359 -11.546 -8.781 1.00 33.33 H new ATOM 0 HG3 ARG A 79 3.717 -11.413 -8.182 1.00 33.33 H new ATOM 0 HD2 ARG A 79 3.788 -8.994 -8.268 1.00 43.34 H new ATOM 0 HD3 ARG A 79 5.515 -8.992 -8.565 1.00 43.34 H new ATOM 0 HE ARG A 79 4.046 -10.456 -10.617 1.00 64.15 H new ATOM 0 HH11 ARG A 79 5.064 -7.266 -9.497 1.00 41.13 H new ATOM 0 HH12 ARG A 79 4.984 -6.548 -11.109 1.00 41.13 H new ATOM 0 HH21 ARG A 79 3.947 -9.527 -12.683 1.00 72.00 H new ATOM 0 HH22 ARG A 79 4.354 -7.823 -12.906 1.00 72.00 H new ATOM 1224 N TYR A 80 6.141 -13.911 -6.601 1.00 65.34 N ATOM 1225 CA TYR A 80 6.448 -15.161 -7.287 1.00 50.23 C ATOM 1226 C TYR A 80 5.753 -16.339 -6.612 1.00 33.42 C ATOM 1227 O TYR A 80 5.274 -17.257 -7.280 1.00 3.40 O ATOM 1228 CB TYR A 80 7.959 -15.395 -7.315 1.00 55.12 C ATOM 1229 CG TYR A 80 8.352 -16.768 -7.810 1.00 74.13 C ATOM 1230 CD1 TYR A 80 8.431 -17.847 -6.937 1.00 52.21 C ATOM 1231 CD2 TYR A 80 8.642 -16.988 -9.151 1.00 64.12 C ATOM 1232 CE1 TYR A 80 8.790 -19.103 -7.385 1.00 73.04 C ATOM 1233 CE2 TYR A 80 9.000 -18.242 -9.608 1.00 4.04 C ATOM 1234 CZ TYR A 80 9.073 -19.296 -8.721 1.00 53.44 C ATOM 1235 OH TYR A 80 9.430 -20.546 -9.173 1.00 12.11 O ATOM 0 H TYR A 80 6.930 -13.497 -6.104 1.00 65.34 H new ATOM 0 HA TYR A 80 6.080 -15.083 -8.310 1.00 50.23 H new ATOM 0 HB2 TYR A 80 8.423 -14.642 -7.953 1.00 55.12 H new ATOM 0 HB3 TYR A 80 8.359 -15.252 -6.311 1.00 55.12 H new ATOM 0 HD1 TYR A 80 8.208 -17.700 -5.891 1.00 52.21 H new ATOM 0 HD2 TYR A 80 8.587 -16.165 -9.848 1.00 64.12 H new ATOM 0 HE1 TYR A 80 8.849 -19.930 -6.693 1.00 73.04 H new ATOM 0 HE2 TYR A 80 9.221 -18.396 -10.654 1.00 4.04 H new ATOM 0 HH TYR A 80 9.748 -20.481 -10.098 1.00 12.11 H new ATOM 1245 N ILE A 81 5.700 -16.305 -5.285 1.00 75.45 N ATOM 1246 CA ILE A 81 5.061 -17.368 -4.518 1.00 44.21 C ATOM 1247 C ILE A 81 3.543 -17.294 -4.636 1.00 45.44 C ATOM 1248 O ILE A 81 2.869 -18.317 -4.753 1.00 63.42 O ATOM 1249 CB ILE A 81 5.454 -17.302 -3.031 1.00 32.32 C ATOM 1250 CG1 ILE A 81 6.970 -17.442 -2.874 1.00 21.53 C ATOM 1251 CG2 ILE A 81 4.732 -18.387 -2.245 1.00 70.44 C ATOM 1252 CD1 ILE A 81 7.464 -17.126 -1.480 1.00 20.45 C ATOM 0 H ILE A 81 6.092 -15.553 -4.718 1.00 75.45 H new ATOM 0 HA ILE A 81 5.409 -18.313 -4.936 1.00 44.21 H new ATOM 0 HB ILE A 81 5.155 -16.332 -2.634 1.00 32.32 H new ATOM 0 HG12 ILE A 81 7.261 -18.460 -3.132 1.00 21.53 H new ATOM 0 HG13 ILE A 81 7.464 -16.779 -3.585 1.00 21.53 H new ATOM 0 HG21 ILE A 81 5.020 -18.328 -1.195 1.00 70.44 H new ATOM 0 HG22 ILE A 81 3.655 -18.246 -2.335 1.00 70.44 H new ATOM 0 HG23 ILE A 81 5.004 -19.365 -2.641 1.00 70.44 H new ATOM 0 HD11 ILE A 81 8.547 -17.246 -1.442 1.00 20.45 H new ATOM 0 HD12 ILE A 81 7.203 -16.099 -1.226 1.00 20.45 H new ATOM 0 HD13 ILE A 81 6.998 -17.806 -0.766 1.00 20.45 H new ATOM 1264 N ALA A 82 3.011 -16.077 -4.606 1.00 24.44 N ATOM 1265 CA ALA A 82 1.572 -15.869 -4.714 1.00 74.32 C ATOM 1266 C ALA A 82 1.062 -16.265 -6.095 1.00 1.20 C ATOM 1267 O ALA A 82 0.061 -16.971 -6.218 1.00 72.43 O ATOM 1268 CB ALA A 82 1.225 -14.418 -4.416 1.00 50.42 C ATOM 0 H ALA A 82 3.555 -15.220 -4.508 1.00 24.44 H new ATOM 0 HA ALA A 82 1.081 -16.507 -3.979 1.00 74.32 H new ATOM 0 HB1 ALA A 82 0.147 -14.277 -4.500 1.00 50.42 H new ATOM 0 HB2 ALA A 82 1.546 -14.167 -3.405 1.00 50.42 H new ATOM 0 HB3 ALA A 82 1.733 -13.769 -5.129 1.00 50.42 H new ATOM 1274 N SER A 83 1.755 -15.806 -7.131 1.00 34.12 N ATOM 1275 CA SER A 83 1.369 -16.108 -8.504 1.00 43.14 C ATOM 1276 C SER A 83 1.245 -17.615 -8.714 1.00 54.13 C ATOM 1277 O SER A 83 0.492 -18.073 -9.573 1.00 22.31 O ATOM 1278 CB SER A 83 2.392 -15.528 -9.483 1.00 1.43 C ATOM 1279 OG SER A 83 2.188 -16.034 -10.792 1.00 10.43 O ATOM 0 H SER A 83 2.588 -15.223 -7.046 1.00 34.12 H new ATOM 0 HA SER A 83 0.397 -15.651 -8.691 1.00 43.14 H new ATOM 0 HB2 SER A 83 2.314 -14.441 -9.494 1.00 1.43 H new ATOM 0 HB3 SER A 83 3.400 -15.772 -9.148 1.00 1.43 H new ATOM 0 HG SER A 83 2.853 -15.648 -11.399 1.00 10.43 H new ATOM 1285 N LYS A 84 1.989 -18.380 -7.923 1.00 42.25 N ATOM 1286 CA LYS A 84 1.963 -19.834 -8.018 1.00 0.24 C ATOM 1287 C LYS A 84 0.716 -20.401 -7.347 1.00 65.15 C ATOM 1288 O LYS A 84 0.096 -21.334 -7.856 1.00 0.04 O ATOM 1289 CB LYS A 84 3.217 -20.431 -7.376 1.00 70.24 C ATOM 1290 CG LYS A 84 4.508 -20.008 -8.055 1.00 52.41 C ATOM 1291 CD LYS A 84 4.883 -20.958 -9.181 1.00 32.14 C ATOM 1292 CE LYS A 84 6.364 -20.872 -9.513 1.00 24.30 C ATOM 1293 NZ LYS A 84 6.841 -22.079 -10.245 1.00 51.04 N ATOM 0 H LYS A 84 2.619 -18.016 -7.208 1.00 42.25 H new ATOM 0 HA LYS A 84 1.940 -20.103 -9.074 1.00 0.24 H new ATOM 0 HB2 LYS A 84 3.254 -20.135 -6.327 1.00 70.24 H new ATOM 0 HB3 LYS A 84 3.144 -21.518 -7.398 1.00 70.24 H new ATOM 0 HG2 LYS A 84 4.398 -18.998 -8.451 1.00 52.41 H new ATOM 0 HG3 LYS A 84 5.313 -19.977 -7.321 1.00 52.41 H new ATOM 0 HD2 LYS A 84 4.632 -21.979 -8.895 1.00 32.14 H new ATOM 0 HD3 LYS A 84 4.296 -20.722 -10.068 1.00 32.14 H new ATOM 0 HE2 LYS A 84 6.549 -19.984 -10.117 1.00 24.30 H new ATOM 0 HE3 LYS A 84 6.936 -20.756 -8.592 1.00 24.30 H new ATOM 0 HZ1 LYS A 84 7.855 -21.981 -10.453 1.00 51.04 H new ATOM 0 HZ2 LYS A 84 6.688 -22.924 -9.658 1.00 51.04 H new ATOM 0 HZ3 LYS A 84 6.313 -22.176 -11.136 1.00 51.04 H new