USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 755 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 95 SER OG : rot 140:sc= 0 USER MOD Set 1.2: A 99 THR OG1 : rot 93:sc= 0.0161 USER MOD Single : A 8 TYR OH : rot 150:sc= -1.1 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.441 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -168:sc= -0.959 (180deg=-2.23!) USER MOD Single : A 29 MET CE :methyl -173:sc= -0.113 (180deg=-0.269) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 31 THR OG1 : rot 53:sc= 1.15 USER MOD Single : A 32 HIS : no HD1:sc= -0.0483 X(o=-0.048,f=-0.25) USER MOD Single : A 39 TYR OH : rot -16:sc= -0.892 USER MOD Single : A 41 GLN :FLIP amide:sc= -0.0694 F(o=-1.2,f=-0.069) USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 47 SER OG : rot -130:sc= 0.183 USER MOD Single : A 56 SER OG : rot 53:sc= 0.148 USER MOD Single : A 65 ASN : amide:sc= -0.0402 X(o=-0.04,f=-0.18) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.602 X(o=-0.6,f=-0.17) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -150:sc= -1.91! (180deg=-2.86!) USER MOD Single : A 94 LYS NZ :NH3+ -148:sc= -0.0551 (180deg=-1.12) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS :FLIP no HE2:sc= -0.0737 F(o=-1.2,f=-0.074) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 8.432 3.785 -15.624 1.00 0.00 N ATOM 60 CA GLY A 7 7.794 3.377 -14.384 1.00 0.00 C ATOM 61 C GLY A 7 7.054 2.049 -14.559 1.00 0.00 C ATOM 62 O GLY A 7 6.628 1.713 -15.663 1.00 0.00 O ATOM 0 HA2 GLY A 7 8.545 3.278 -13.600 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.094 4.147 -14.060 1.00 0.00 H new ATOM 66 N TYR A 8 6.925 1.331 -13.453 1.00 0.00 N ATOM 67 CA TYR A 8 6.244 0.047 -13.471 1.00 0.00 C ATOM 68 C TYR A 8 5.213 -0.042 -12.343 1.00 0.00 C ATOM 69 O TYR A 8 5.278 0.717 -11.377 1.00 0.00 O ATOM 70 CB TYR A 8 7.327 -1.008 -13.240 1.00 0.00 C ATOM 71 CG TYR A 8 6.821 -2.280 -12.557 1.00 0.00 C ATOM 72 CD1 TYR A 8 6.199 -3.262 -13.301 1.00 0.00 C ATOM 73 CD2 TYR A 8 6.988 -2.446 -11.197 1.00 0.00 C ATOM 74 CE1 TYR A 8 5.722 -4.459 -12.658 1.00 0.00 C ATOM 75 CE2 TYR A 8 6.511 -3.644 -10.554 1.00 0.00 C ATOM 76 CZ TYR A 8 5.902 -4.591 -11.317 1.00 0.00 C ATOM 77 OH TYR A 8 5.452 -5.722 -10.710 1.00 0.00 O ATOM 0 H TYR A 8 7.280 1.613 -12.539 1.00 0.00 H new ATOM 0 HA TYR A 8 5.717 -0.095 -14.414 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.770 -1.275 -14.199 1.00 0.00 H new ATOM 0 HB3 TYR A 8 8.120 -0.573 -12.632 1.00 0.00 H new ATOM 0 HD1 TYR A 8 6.070 -3.133 -14.365 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.476 -1.678 -10.615 1.00 0.00 H new ATOM 0 HE1 TYR A 8 5.232 -5.234 -13.228 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.634 -3.787 -9.491 1.00 0.00 H new ATOM 0 HH TYR A 8 6.017 -5.924 -9.935 1.00 0.00 H new ATOM 87 N VAL A 9 4.287 -0.975 -12.504 1.00 0.00 N ATOM 88 CA VAL A 9 3.244 -1.173 -11.512 1.00 0.00 C ATOM 89 C VAL A 9 3.155 -2.660 -11.162 1.00 0.00 C ATOM 90 O VAL A 9 3.462 -3.516 -11.990 1.00 0.00 O ATOM 91 CB VAL A 9 1.921 -0.599 -12.022 1.00 0.00 C ATOM 92 CG1 VAL A 9 0.839 -0.672 -10.942 1.00 0.00 C ATOM 93 CG2 VAL A 9 2.102 0.836 -12.521 1.00 0.00 C ATOM 0 H VAL A 9 4.237 -1.602 -13.307 1.00 0.00 H new ATOM 0 HA VAL A 9 3.483 -0.636 -10.594 1.00 0.00 H new ATOM 0 HB VAL A 9 1.594 -1.208 -12.865 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.091 -0.258 -11.330 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.681 -1.712 -10.655 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.156 -0.099 -10.071 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.147 1.220 -12.878 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.463 1.462 -11.705 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.826 0.849 -13.336 1.00 0.00 H new ATOM 103 N PHE A 10 2.734 -2.922 -9.933 1.00 0.00 N ATOM 104 CA PHE A 10 2.601 -4.290 -9.463 1.00 0.00 C ATOM 105 C PHE A 10 1.358 -4.450 -8.586 1.00 0.00 C ATOM 106 O PHE A 10 1.068 -3.594 -7.751 1.00 0.00 O ATOM 107 CB PHE A 10 3.844 -4.599 -8.627 1.00 0.00 C ATOM 108 CG PHE A 10 3.870 -3.898 -7.267 1.00 0.00 C ATOM 109 CD1 PHE A 10 4.425 -2.662 -7.150 1.00 0.00 C ATOM 110 CD2 PHE A 10 3.337 -4.510 -6.176 1.00 0.00 C ATOM 111 CE1 PHE A 10 4.448 -2.011 -5.888 1.00 0.00 C ATOM 112 CE2 PHE A 10 3.360 -3.859 -4.914 1.00 0.00 C ATOM 113 CZ PHE A 10 3.915 -2.623 -4.797 1.00 0.00 C ATOM 0 H PHE A 10 2.481 -2.209 -9.249 1.00 0.00 H new ATOM 0 HA PHE A 10 2.503 -4.967 -10.312 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.905 -5.676 -8.470 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.730 -4.308 -9.191 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.848 -2.176 -8.016 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.896 -5.491 -6.269 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.889 -1.030 -5.795 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.937 -4.345 -4.048 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.932 -2.128 -3.838 1.00 0.00 H new ATOM 123 N THR A 11 0.656 -5.553 -8.804 1.00 0.00 N ATOM 124 CA THR A 11 -0.549 -5.836 -8.044 1.00 0.00 C ATOM 125 C THR A 11 -0.197 -6.531 -6.727 1.00 0.00 C ATOM 126 O THR A 11 0.873 -7.123 -6.600 1.00 0.00 O ATOM 127 CB THR A 11 -1.487 -6.655 -8.932 1.00 0.00 C ATOM 128 OG1 THR A 11 -2.032 -5.699 -9.837 1.00 0.00 O ATOM 129 CG2 THR A 11 -2.704 -7.183 -8.169 1.00 0.00 C ATOM 0 H THR A 11 0.899 -6.261 -9.497 1.00 0.00 H new ATOM 0 HA THR A 11 -1.065 -4.918 -7.763 1.00 0.00 H new ATOM 0 HB THR A 11 -0.938 -7.492 -9.364 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.651 -6.146 -10.451 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.337 -7.757 -8.846 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.371 -7.823 -7.352 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.272 -6.345 -7.765 1.00 0.00 H new ATOM 137 N VAL A 12 -1.119 -6.436 -5.780 1.00 0.00 N ATOM 138 CA VAL A 12 -0.920 -7.048 -4.477 1.00 0.00 C ATOM 139 C VAL A 12 -2.236 -7.669 -4.004 1.00 0.00 C ATOM 140 O VAL A 12 -3.239 -6.972 -3.859 1.00 0.00 O ATOM 141 CB VAL A 12 -0.359 -6.018 -3.495 1.00 0.00 C ATOM 142 CG1 VAL A 12 0.607 -6.673 -2.506 1.00 0.00 C ATOM 143 CG2 VAL A 12 0.317 -4.863 -4.238 1.00 0.00 C ATOM 0 H VAL A 12 -2.006 -5.944 -5.889 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.185 -7.851 -4.541 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.194 -5.608 -2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.991 -5.919 -1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.083 -7.444 -1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.436 -7.123 -3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.707 -4.145 -3.517 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.136 -5.250 -4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.410 -4.370 -4.883 1.00 0.00 H new ATOM 153 N GLU A 13 -2.190 -8.974 -3.777 1.00 0.00 N ATOM 154 CA GLU A 13 -3.365 -9.697 -3.324 1.00 0.00 C ATOM 155 C GLU A 13 -3.187 -10.142 -1.871 1.00 0.00 C ATOM 156 O GLU A 13 -2.483 -11.112 -1.597 1.00 0.00 O ATOM 157 CB GLU A 13 -3.657 -10.893 -4.232 1.00 0.00 C ATOM 158 CG GLU A 13 -4.364 -10.449 -5.514 1.00 0.00 C ATOM 159 CD GLU A 13 -5.088 -11.623 -6.176 1.00 0.00 C ATOM 160 OE1 GLU A 13 -4.560 -12.751 -6.065 1.00 0.00 O ATOM 161 OE2 GLU A 13 -6.153 -11.367 -6.778 1.00 0.00 O ATOM 0 H GLU A 13 -1.356 -9.549 -3.899 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.223 -9.026 -3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.725 -11.399 -4.483 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.278 -11.614 -3.701 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.079 -9.659 -5.284 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.636 -10.028 -6.208 1.00 0.00 H new ATOM 168 N LEU A 14 -3.838 -9.411 -0.977 1.00 0.00 N ATOM 169 CA LEU A 14 -3.760 -9.718 0.441 1.00 0.00 C ATOM 170 C LEU A 14 -5.079 -10.346 0.895 1.00 0.00 C ATOM 171 O LEU A 14 -6.111 -10.166 0.250 1.00 0.00 O ATOM 172 CB LEU A 14 -3.365 -8.473 1.238 1.00 0.00 C ATOM 173 CG LEU A 14 -1.921 -7.996 1.066 1.00 0.00 C ATOM 174 CD1 LEU A 14 -0.939 -9.160 1.212 1.00 0.00 C ATOM 175 CD2 LEU A 14 -1.742 -7.258 -0.262 1.00 0.00 C ATOM 0 H LEU A 14 -4.422 -8.607 -1.208 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.976 -10.451 0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.032 -7.658 0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.537 -8.673 2.296 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.699 -7.285 1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.080 -8.794 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.045 -9.604 2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.151 -9.913 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.707 -6.930 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.989 -7.927 -1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.402 -6.391 -0.288 1.00 0.00 H new ATOM 187 N GLU A 15 -5.002 -11.070 2.002 1.00 0.00 N ATOM 188 CA GLU A 15 -6.177 -11.726 2.550 1.00 0.00 C ATOM 189 C GLU A 15 -6.717 -10.936 3.744 1.00 0.00 C ATOM 190 O GLU A 15 -6.135 -10.967 4.828 1.00 0.00 O ATOM 191 CB GLU A 15 -5.865 -13.171 2.944 1.00 0.00 C ATOM 192 CG GLU A 15 -6.943 -13.731 3.874 1.00 0.00 C ATOM 193 CD GLU A 15 -6.831 -15.253 3.989 1.00 0.00 C ATOM 194 OE1 GLU A 15 -7.180 -15.924 2.995 1.00 0.00 O ATOM 195 OE2 GLU A 15 -6.399 -15.709 5.070 1.00 0.00 O ATOM 0 H GLU A 15 -4.144 -11.217 2.534 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.947 -11.753 1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.795 -13.789 2.049 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.894 -13.215 3.438 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.847 -13.280 4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.930 -13.463 3.496 1.00 0.00 H new ATOM 202 N ARG A 16 -7.824 -10.247 3.506 1.00 0.00 N ATOM 203 CA ARG A 16 -8.449 -9.451 4.548 1.00 0.00 C ATOM 204 C ARG A 16 -8.396 -10.192 5.886 1.00 0.00 C ATOM 205 O ARG A 16 -8.824 -11.342 5.980 1.00 0.00 O ATOM 206 CB ARG A 16 -9.906 -9.139 4.203 1.00 0.00 C ATOM 207 CG ARG A 16 -10.364 -7.845 4.880 1.00 0.00 C ATOM 208 CD ARG A 16 -11.872 -7.866 5.138 1.00 0.00 C ATOM 209 NE ARG A 16 -12.147 -7.560 6.560 1.00 0.00 N ATOM 210 CZ ARG A 16 -13.357 -7.650 7.127 1.00 0.00 C ATOM 211 NH1 ARG A 16 -14.413 -8.036 6.397 1.00 0.00 N ATOM 212 NH2 ARG A 16 -13.513 -7.352 8.425 1.00 0.00 N ATOM 0 H ARG A 16 -8.304 -10.224 2.606 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.897 -8.514 4.626 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.016 -9.047 3.122 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.543 -9.965 4.519 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.832 -7.715 5.822 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.111 -6.992 4.251 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.369 -7.137 4.498 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.279 -8.844 4.883 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.366 -7.262 7.145 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -14.295 -8.261 5.409 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -15.334 -8.104 6.829 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.710 -7.057 8.981 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.435 -7.421 8.857 1.00 0.00 H new ATOM 226 N GLY A 17 -7.868 -9.504 6.887 1.00 0.00 N ATOM 227 CA GLY A 17 -7.754 -10.082 8.215 1.00 0.00 C ATOM 228 C GLY A 17 -8.889 -9.602 9.121 1.00 0.00 C ATOM 229 O GLY A 17 -9.793 -8.900 8.671 1.00 0.00 O ATOM 0 H GLY A 17 -7.514 -8.551 6.805 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.775 -11.170 8.145 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.794 -9.809 8.653 1.00 0.00 H new ATOM 233 N PRO A 18 -8.803 -10.011 10.416 1.00 0.00 N ATOM 234 CA PRO A 18 -9.812 -9.630 11.389 1.00 0.00 C ATOM 235 C PRO A 18 -9.649 -8.167 11.804 1.00 0.00 C ATOM 236 O PRO A 18 -10.533 -7.596 12.442 1.00 0.00 O ATOM 237 CB PRO A 18 -9.628 -10.599 12.546 1.00 0.00 C ATOM 238 CG PRO A 18 -8.233 -11.182 12.384 1.00 0.00 C ATOM 239 CD PRO A 18 -7.746 -10.843 10.984 1.00 0.00 C ATOM 0 HA PRO A 18 -10.825 -9.693 10.991 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.729 -10.088 13.503 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -10.384 -11.384 12.522 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.557 -10.770 13.133 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.251 -12.262 12.531 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.795 -10.310 11.013 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.589 -11.744 10.390 1.00 0.00 H new ATOM 247 N SER A 19 -8.513 -7.600 11.425 1.00 0.00 N ATOM 248 CA SER A 19 -8.223 -6.214 11.750 1.00 0.00 C ATOM 249 C SER A 19 -8.207 -5.370 10.474 1.00 0.00 C ATOM 250 O SER A 19 -8.420 -4.160 10.523 1.00 0.00 O ATOM 251 CB SER A 19 -6.888 -6.088 12.486 1.00 0.00 C ATOM 252 OG SER A 19 -7.009 -6.405 13.870 1.00 0.00 O ATOM 0 H SER A 19 -7.782 -8.076 10.896 1.00 0.00 H new ATOM 0 HA SER A 19 -9.008 -5.847 12.412 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.156 -6.751 12.025 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.509 -5.071 12.379 1.00 0.00 H new ATOM 0 HG SER A 19 -6.135 -6.314 14.304 1.00 0.00 H new ATOM 258 N GLY A 20 -7.951 -6.042 9.361 1.00 0.00 N ATOM 259 CA GLY A 20 -7.904 -5.369 8.074 1.00 0.00 C ATOM 260 C GLY A 20 -6.857 -6.008 7.159 1.00 0.00 C ATOM 261 O GLY A 20 -6.984 -7.172 6.783 1.00 0.00 O ATOM 0 H GLY A 20 -7.774 -7.046 9.324 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.884 -5.416 7.599 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.670 -4.314 8.219 1.00 0.00 H new ATOM 265 N LEU A 21 -5.847 -5.218 6.827 1.00 0.00 N ATOM 266 CA LEU A 21 -4.779 -5.691 5.963 1.00 0.00 C ATOM 267 C LEU A 21 -3.443 -5.135 6.460 1.00 0.00 C ATOM 268 O LEU A 21 -2.444 -5.178 5.743 1.00 0.00 O ATOM 269 CB LEU A 21 -5.081 -5.353 4.502 1.00 0.00 C ATOM 270 CG LEU A 21 -6.468 -5.753 3.994 1.00 0.00 C ATOM 271 CD1 LEU A 21 -7.254 -4.528 3.523 1.00 0.00 C ATOM 272 CD2 LEU A 21 -6.365 -6.822 2.905 1.00 0.00 C ATOM 0 H LEU A 21 -5.746 -4.253 7.141 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.708 -6.778 6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.962 -4.278 4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.333 -5.838 3.875 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.023 -6.191 4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.236 -4.840 3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.374 -3.831 4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.713 -4.038 2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.364 -7.089 2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.785 -6.434 2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.872 -7.706 3.309 1.00 0.00 H new ATOM 284 N GLY A 22 -3.468 -4.625 7.682 1.00 0.00 N ATOM 285 CA GLY A 22 -2.271 -4.061 8.283 1.00 0.00 C ATOM 286 C GLY A 22 -1.564 -3.114 7.311 1.00 0.00 C ATOM 287 O GLY A 22 -0.402 -3.326 6.967 1.00 0.00 O ATOM 0 H GLY A 22 -4.299 -4.590 8.273 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.536 -3.523 9.193 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.593 -4.863 8.573 1.00 0.00 H new ATOM 291 N MET A 23 -2.295 -2.090 6.896 1.00 0.00 N ATOM 292 CA MET A 23 -1.753 -1.110 5.970 1.00 0.00 C ATOM 293 C MET A 23 -2.125 0.311 6.396 1.00 0.00 C ATOM 294 O MET A 23 -3.246 0.761 6.160 1.00 0.00 O ATOM 295 CB MET A 23 -2.294 -1.380 4.565 1.00 0.00 C ATOM 296 CG MET A 23 -1.155 -1.660 3.583 1.00 0.00 C ATOM 297 SD MET A 23 -1.809 -1.889 1.938 1.00 0.00 S ATOM 298 CE MET A 23 -3.313 -2.772 2.322 1.00 0.00 C ATOM 0 H MET A 23 -3.258 -1.918 7.184 1.00 0.00 H new ATOM 0 HA MET A 23 -0.667 -1.198 5.973 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.974 -2.231 4.591 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.871 -0.521 4.223 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.447 -0.832 3.589 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.607 -2.550 3.893 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.739 -3.181 1.406 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.091 -3.585 3.013 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.028 -2.090 2.782 1.00 0.00 H new ATOM 308 N GLY A 24 -1.164 0.980 7.017 1.00 0.00 N ATOM 309 CA GLY A 24 -1.377 2.341 7.478 1.00 0.00 C ATOM 310 C GLY A 24 -1.491 3.308 6.298 1.00 0.00 C ATOM 311 O GLY A 24 -0.597 4.121 6.068 1.00 0.00 O ATOM 0 H GLY A 24 -0.236 0.604 7.211 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.285 2.387 8.080 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.552 2.644 8.123 1.00 0.00 H new ATOM 315 N LEU A 25 -2.599 3.189 5.582 1.00 0.00 N ATOM 316 CA LEU A 25 -2.842 4.042 4.431 1.00 0.00 C ATOM 317 C LEU A 25 -3.283 5.426 4.912 1.00 0.00 C ATOM 318 O LEU A 25 -4.116 5.539 5.810 1.00 0.00 O ATOM 319 CB LEU A 25 -3.834 3.380 3.472 1.00 0.00 C ATOM 320 CG LEU A 25 -3.595 1.898 3.179 1.00 0.00 C ATOM 321 CD1 LEU A 25 -4.598 1.374 2.149 1.00 0.00 C ATOM 322 CD2 LEU A 25 -2.148 1.650 2.747 1.00 0.00 C ATOM 0 H LEU A 25 -3.339 2.514 5.777 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.925 4.179 3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.837 3.491 3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.815 3.924 2.528 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.756 1.338 4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.406 0.318 1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.611 1.495 2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.493 1.935 1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.005 0.588 2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.934 2.223 1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.472 1.962 3.543 1.00 0.00 H new ATOM 334 N ILE A 26 -2.703 6.445 4.294 1.00 0.00 N ATOM 335 CA ILE A 26 -3.025 7.817 4.648 1.00 0.00 C ATOM 336 C ILE A 26 -3.364 8.600 3.378 1.00 0.00 C ATOM 337 O ILE A 26 -2.930 8.237 2.286 1.00 0.00 O ATOM 338 CB ILE A 26 -1.895 8.437 5.471 1.00 0.00 C ATOM 339 CG1 ILE A 26 -2.291 9.821 5.991 1.00 0.00 C ATOM 340 CG2 ILE A 26 -0.592 8.477 4.670 1.00 0.00 C ATOM 341 CD1 ILE A 26 -1.673 10.087 7.365 1.00 0.00 C ATOM 0 H ILE A 26 -2.012 6.348 3.550 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.907 7.849 5.287 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.719 7.804 6.341 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.963 10.586 5.287 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.377 9.892 6.057 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.195 8.922 5.278 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.305 7.463 4.391 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.737 9.074 3.770 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.970 11.077 7.712 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.022 9.335 8.073 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.587 10.039 7.291 1.00 0.00 H new ATOM 353 N ASP A 27 -4.135 9.661 3.564 1.00 0.00 N ATOM 354 CA ASP A 27 -4.536 10.500 2.447 1.00 0.00 C ATOM 355 C ASP A 27 -3.333 11.314 1.968 1.00 0.00 C ATOM 356 O ASP A 27 -2.799 12.135 2.713 1.00 0.00 O ATOM 357 CB ASP A 27 -5.636 11.479 2.861 1.00 0.00 C ATOM 358 CG ASP A 27 -6.045 12.486 1.783 1.00 0.00 C ATOM 359 OD1 ASP A 27 -5.442 12.423 0.690 1.00 0.00 O ATOM 360 OD2 ASP A 27 -6.951 13.295 2.077 1.00 0.00 O ATOM 0 H ASP A 27 -4.493 9.959 4.471 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.910 9.851 1.655 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.516 10.909 3.157 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.301 12.028 3.741 1.00 0.00 H new ATOM 365 N GLY A 28 -2.942 11.060 0.728 1.00 0.00 N ATOM 366 CA GLY A 28 -1.812 11.759 0.141 1.00 0.00 C ATOM 367 C GLY A 28 -1.798 13.230 0.564 1.00 0.00 C ATOM 368 O GLY A 28 -0.732 13.814 0.754 1.00 0.00 O ATOM 0 H GLY A 28 -3.388 10.379 0.113 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.883 11.279 0.449 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.861 11.690 -0.946 1.00 0.00 H new ATOM 372 N MET A 29 -2.993 13.785 0.699 1.00 0.00 N ATOM 373 CA MET A 29 -3.131 15.176 1.096 1.00 0.00 C ATOM 374 C MET A 29 -2.584 15.400 2.507 1.00 0.00 C ATOM 375 O MET A 29 -1.825 16.339 2.741 1.00 0.00 O ATOM 376 CB MET A 29 -4.608 15.575 1.051 1.00 0.00 C ATOM 377 CG MET A 29 -5.095 15.709 -0.393 1.00 0.00 C ATOM 378 SD MET A 29 -5.131 17.430 -0.868 1.00 0.00 S ATOM 379 CE MET A 29 -4.507 17.304 -2.535 1.00 0.00 C ATOM 0 H MET A 29 -3.875 13.297 0.541 1.00 0.00 H new ATOM 0 HA MET A 29 -2.558 15.791 0.403 1.00 0.00 H new ATOM 0 HB2 MET A 29 -5.206 14.828 1.573 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.749 16.520 1.576 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.437 15.153 -1.061 1.00 0.00 H new ATOM 0 HG3 MET A 29 -6.090 15.275 -0.492 1.00 0.00 H new ATOM 0 HE1 MET A 29 -4.346 18.303 -2.940 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.563 16.759 -2.530 1.00 0.00 H new ATOM 0 HE3 MET A 29 -5.230 16.773 -3.155 1.00 0.00 H new ATOM 389 N HIS A 30 -2.992 14.523 3.412 1.00 0.00 N ATOM 390 CA HIS A 30 -2.553 14.613 4.794 1.00 0.00 C ATOM 391 C HIS A 30 -1.024 14.636 4.846 1.00 0.00 C ATOM 392 O HIS A 30 -0.436 15.379 5.630 1.00 0.00 O ATOM 393 CB HIS A 30 -3.158 13.485 5.632 1.00 0.00 C ATOM 394 CG HIS A 30 -4.240 13.938 6.583 1.00 0.00 C ATOM 395 ND1 HIS A 30 -4.040 14.051 7.947 1.00 0.00 N ATOM 396 CD2 HIS A 30 -5.533 14.306 6.351 1.00 0.00 C ATOM 397 CE1 HIS A 30 -5.168 14.468 8.502 1.00 0.00 C ATOM 398 NE2 HIS A 30 -6.092 14.625 7.512 1.00 0.00 N ATOM 0 H HIS A 30 -3.623 13.746 3.215 1.00 0.00 H new ATOM 0 HA HIS A 30 -2.911 15.544 5.233 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -3.570 12.730 4.963 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.364 13.005 6.204 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.019 14.333 5.387 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.328 14.651 9.554 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.055 14.936 7.642 1.00 0.00 H new ATOM 406 N THR A 31 -0.423 13.812 4.000 1.00 0.00 N ATOM 407 CA THR A 31 1.026 13.728 3.939 1.00 0.00 C ATOM 408 C THR A 31 1.594 14.888 3.119 1.00 0.00 C ATOM 409 O THR A 31 0.942 15.380 2.198 1.00 0.00 O ATOM 410 CB THR A 31 1.397 12.352 3.383 1.00 0.00 C ATOM 411 OG1 THR A 31 0.349 12.054 2.466 1.00 0.00 O ATOM 412 CG2 THR A 31 1.295 11.247 4.437 1.00 0.00 C ATOM 0 H THR A 31 -0.914 13.197 3.351 1.00 0.00 H new ATOM 0 HA THR A 31 1.469 13.824 4.930 1.00 0.00 H new ATOM 0 HB THR A 31 2.412 12.383 2.987 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.245 12.797 1.836 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.569 10.291 3.990 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.971 11.468 5.263 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.272 11.193 4.810 1.00 0.00 H new ATOM 420 N HIS A 32 2.803 15.292 3.481 1.00 0.00 N ATOM 421 CA HIS A 32 3.465 16.384 2.790 1.00 0.00 C ATOM 422 C HIS A 32 3.186 16.287 1.289 1.00 0.00 C ATOM 423 O HIS A 32 3.096 17.304 0.603 1.00 0.00 O ATOM 424 CB HIS A 32 4.961 16.406 3.115 1.00 0.00 C ATOM 425 CG HIS A 32 5.520 17.789 3.341 1.00 0.00 C ATOM 426 ND1 HIS A 32 5.011 18.658 4.291 1.00 0.00 N ATOM 427 CD2 HIS A 32 6.550 18.445 2.733 1.00 0.00 C ATOM 428 CE1 HIS A 32 5.710 19.783 4.247 1.00 0.00 C ATOM 429 NE2 HIS A 32 6.663 19.649 3.280 1.00 0.00 N ATOM 0 H HIS A 32 3.341 14.882 4.244 1.00 0.00 H new ATOM 0 HA HIS A 32 3.063 17.335 3.138 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.138 15.804 4.006 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.507 15.934 2.298 1.00 0.00 H new ATOM 0 HD2 HIS A 32 7.169 18.051 1.940 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.553 20.653 4.867 1.00 0.00 H new ATOM 0 HE2 HIS A 32 7.349 20.357 3.020 1.00 0.00 H new ATOM 437 N LEU A 33 3.056 15.054 0.823 1.00 0.00 N ATOM 438 CA LEU A 33 2.788 14.810 -0.584 1.00 0.00 C ATOM 439 C LEU A 33 1.765 15.830 -1.089 1.00 0.00 C ATOM 440 O LEU A 33 1.773 16.193 -2.264 1.00 0.00 O ATOM 441 CB LEU A 33 2.368 13.356 -0.806 1.00 0.00 C ATOM 442 CG LEU A 33 2.776 12.736 -2.144 1.00 0.00 C ATOM 443 CD1 LEU A 33 4.180 12.135 -2.065 1.00 0.00 C ATOM 444 CD2 LEU A 33 1.740 11.712 -2.612 1.00 0.00 C ATOM 0 H LEU A 33 3.131 14.213 1.395 1.00 0.00 H new ATOM 0 HA LEU A 33 3.694 14.949 -1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.790 12.750 -0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.284 13.294 -0.715 1.00 0.00 H new ATOM 0 HG LEU A 33 2.807 13.528 -2.892 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.445 11.701 -3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.896 12.916 -1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.201 11.359 -1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.054 11.286 -3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.653 10.918 -1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.774 12.202 -2.734 1.00 0.00 H new ATOM 456 N GLY A 34 0.909 16.262 -0.175 1.00 0.00 N ATOM 457 CA GLY A 34 -0.119 17.233 -0.512 1.00 0.00 C ATOM 458 C GLY A 34 -0.771 16.897 -1.855 1.00 0.00 C ATOM 459 O GLY A 34 -1.281 17.782 -2.540 1.00 0.00 O ATOM 0 H GLY A 34 0.906 15.958 0.799 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.878 17.251 0.270 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.318 18.231 -0.555 1.00 0.00 H new ATOM 463 N ALA A 35 -0.732 15.616 -2.191 1.00 0.00 N ATOM 464 CA ALA A 35 -1.313 15.152 -3.440 1.00 0.00 C ATOM 465 C ALA A 35 -2.511 14.251 -3.136 1.00 0.00 C ATOM 466 O ALA A 35 -2.559 13.607 -2.089 1.00 0.00 O ATOM 467 CB ALA A 35 -0.242 14.438 -4.267 1.00 0.00 C ATOM 0 H ALA A 35 -0.307 14.885 -1.620 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.675 15.993 -4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.678 14.090 -5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.573 15.129 -4.481 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.142 13.586 -3.707 1.00 0.00 H new ATOM 473 N PRO A 36 -3.475 14.234 -4.095 1.00 0.00 N ATOM 474 CA PRO A 36 -4.671 13.423 -3.941 1.00 0.00 C ATOM 475 C PRO A 36 -4.363 11.942 -4.175 1.00 0.00 C ATOM 476 O PRO A 36 -3.595 11.599 -5.073 1.00 0.00 O ATOM 477 CB PRO A 36 -5.663 13.989 -4.944 1.00 0.00 C ATOM 478 CG PRO A 36 -4.838 14.787 -5.941 1.00 0.00 C ATOM 479 CD PRO A 36 -3.453 14.984 -5.348 1.00 0.00 C ATOM 0 HA PRO A 36 -5.079 13.464 -2.931 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.213 13.191 -5.442 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -6.399 14.623 -4.450 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.774 14.259 -6.893 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.308 15.750 -6.141 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.679 14.612 -6.019 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.243 16.039 -5.174 1.00 0.00 H new ATOM 487 N GLY A 37 -4.978 11.105 -3.353 1.00 0.00 N ATOM 488 CA GLY A 37 -4.779 9.670 -3.459 1.00 0.00 C ATOM 489 C GLY A 37 -4.326 9.079 -2.123 1.00 0.00 C ATOM 490 O GLY A 37 -3.914 9.810 -1.224 1.00 0.00 O ATOM 0 H GLY A 37 -5.615 11.393 -2.610 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.707 9.193 -3.776 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.034 9.458 -4.226 1.00 0.00 H new ATOM 494 N LEU A 38 -4.417 7.760 -2.034 1.00 0.00 N ATOM 495 CA LEU A 38 -4.022 7.062 -0.823 1.00 0.00 C ATOM 496 C LEU A 38 -2.622 6.473 -1.013 1.00 0.00 C ATOM 497 O LEU A 38 -2.230 6.143 -2.131 1.00 0.00 O ATOM 498 CB LEU A 38 -5.077 6.025 -0.433 1.00 0.00 C ATOM 499 CG LEU A 38 -6.402 6.582 0.094 1.00 0.00 C ATOM 500 CD1 LEU A 38 -6.285 6.971 1.569 1.00 0.00 C ATOM 501 CD2 LEU A 38 -6.888 7.748 -0.770 1.00 0.00 C ATOM 0 H LEU A 38 -4.759 7.156 -2.782 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.966 7.756 0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.287 5.404 -1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.652 5.372 0.329 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.154 5.796 0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.240 7.364 1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.017 6.093 2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.515 7.734 1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.831 8.126 -0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.144 8.545 -0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.036 7.405 -1.794 1.00 0.00 H new ATOM 513 N TYR A 39 -1.908 6.358 0.097 1.00 0.00 N ATOM 514 CA TYR A 39 -0.561 5.815 0.067 1.00 0.00 C ATOM 515 C TYR A 39 -0.218 5.125 1.389 1.00 0.00 C ATOM 516 O TYR A 39 -0.664 5.554 2.451 1.00 0.00 O ATOM 517 CB TYR A 39 0.373 7.012 -0.126 1.00 0.00 C ATOM 518 CG TYR A 39 0.048 7.861 -1.357 1.00 0.00 C ATOM 519 CD1 TYR A 39 -1.015 8.740 -1.327 1.00 0.00 C ATOM 520 CD2 TYR A 39 0.819 7.749 -2.496 1.00 0.00 C ATOM 521 CE1 TYR A 39 -1.321 9.540 -2.485 1.00 0.00 C ATOM 522 CE2 TYR A 39 0.514 8.549 -3.654 1.00 0.00 C ATOM 523 CZ TYR A 39 -0.541 9.405 -3.591 1.00 0.00 C ATOM 524 OH TYR A 39 -0.830 10.160 -4.685 1.00 0.00 O ATOM 0 H TYR A 39 -2.237 6.632 1.023 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.464 5.076 -0.728 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.326 7.643 0.761 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.398 6.651 -0.206 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.618 8.828 -0.435 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.651 7.061 -2.519 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.151 10.231 -2.475 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.109 8.471 -4.552 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.736 10.525 -4.601 1.00 0.00 H new ATOM 534 N ILE A 40 0.571 4.066 1.280 1.00 0.00 N ATOM 535 CA ILE A 40 0.978 3.312 2.453 1.00 0.00 C ATOM 536 C ILE A 40 1.810 4.212 3.369 1.00 0.00 C ATOM 537 O ILE A 40 2.600 5.026 2.894 1.00 0.00 O ATOM 538 CB ILE A 40 1.695 2.025 2.041 1.00 0.00 C ATOM 539 CG1 ILE A 40 0.851 1.221 1.049 1.00 0.00 C ATOM 540 CG2 ILE A 40 2.083 1.196 3.267 1.00 0.00 C ATOM 541 CD1 ILE A 40 1.538 -0.098 0.689 1.00 0.00 C ATOM 0 H ILE A 40 0.939 3.712 0.397 1.00 0.00 H new ATOM 0 HA ILE A 40 0.105 2.995 3.023 1.00 0.00 H new ATOM 0 HB ILE A 40 2.619 2.297 1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.129 1.019 1.480 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.687 1.808 0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.591 0.287 2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.749 1.778 3.904 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.186 0.932 3.826 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.918 -0.650 -0.017 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.508 0.109 0.236 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.678 -0.693 1.591 1.00 0.00 H new ATOM 553 N GLN A 41 1.603 4.036 4.666 1.00 0.00 N ATOM 554 CA GLN A 41 2.323 4.822 5.652 1.00 0.00 C ATOM 555 C GLN A 41 3.051 3.903 6.635 1.00 0.00 C ATOM 556 O GLN A 41 4.190 4.170 7.014 1.00 0.00 O ATOM 557 CB GLN A 41 1.380 5.775 6.389 1.00 0.00 C ATOM 558 CG GLN A 41 2.141 6.984 6.938 1.00 0.00 C ATOM 559 CD GLN A 41 1.624 7.373 8.325 1.00 0.00 C ATOM 560 OE1 GLN A 41 0.470 8.035 8.306 1.00 0.00 O flip ATOM 561 NE2 GLN A 41 2.232 7.092 9.344 1.00 0.00 N flip ATOM 0 H GLN A 41 0.946 3.360 5.056 1.00 0.00 H new ATOM 0 HA GLN A 41 3.066 5.428 5.133 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.595 6.112 5.712 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.890 5.247 7.207 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.205 6.754 6.994 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.033 7.827 6.256 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.113 6.582 9.288 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.859 7.367 10.253 1.00 0.00 H new ATOM 570 N THR A 42 2.363 2.838 7.020 1.00 0.00 N ATOM 571 CA THR A 42 2.930 1.877 7.952 1.00 0.00 C ATOM 572 C THR A 42 2.439 0.465 7.626 1.00 0.00 C ATOM 573 O THR A 42 1.404 0.296 6.983 1.00 0.00 O ATOM 574 CB THR A 42 2.578 2.330 9.370 1.00 0.00 C ATOM 575 OG1 THR A 42 1.341 3.021 9.218 1.00 0.00 O ATOM 576 CG2 THR A 42 3.538 3.398 9.899 1.00 0.00 C ATOM 0 H THR A 42 1.418 2.619 6.704 1.00 0.00 H new ATOM 0 HA THR A 42 4.016 1.837 7.868 1.00 0.00 H new ATOM 0 HB THR A 42 2.588 1.469 10.038 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.039 3.347 10.091 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.243 3.684 10.909 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.552 2.999 9.916 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.503 4.272 9.249 1.00 0.00 H new ATOM 584 N LEU A 43 3.206 -0.513 8.084 1.00 0.00 N ATOM 585 CA LEU A 43 2.862 -1.906 7.850 1.00 0.00 C ATOM 586 C LEU A 43 2.658 -2.610 9.193 1.00 0.00 C ATOM 587 O LEU A 43 3.611 -2.803 9.947 1.00 0.00 O ATOM 588 CB LEU A 43 3.912 -2.573 6.959 1.00 0.00 C ATOM 589 CG LEU A 43 3.539 -2.725 5.482 1.00 0.00 C ATOM 590 CD1 LEU A 43 2.252 -3.537 5.322 1.00 0.00 C ATOM 591 CD2 LEU A 43 3.444 -1.360 4.797 1.00 0.00 C ATOM 0 H LEU A 43 4.064 -0.369 8.616 1.00 0.00 H new ATOM 0 HA LEU A 43 1.921 -1.980 7.306 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.834 -1.995 7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.127 -3.562 7.363 1.00 0.00 H new ATOM 0 HG LEU A 43 4.334 -3.280 4.985 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.010 -3.630 4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.392 -4.529 5.751 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.436 -3.031 5.838 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.178 -1.497 3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.681 -0.758 5.290 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.406 -0.852 4.864 1.00 0.00 H new ATOM 603 N LEU A 44 1.411 -2.974 9.450 1.00 0.00 N ATOM 604 CA LEU A 44 1.070 -3.652 10.689 1.00 0.00 C ATOM 605 C LEU A 44 1.816 -4.986 10.757 1.00 0.00 C ATOM 606 O LEU A 44 1.962 -5.672 9.747 1.00 0.00 O ATOM 607 CB LEU A 44 -0.448 -3.788 10.825 1.00 0.00 C ATOM 608 CG LEU A 44 -0.996 -3.789 12.253 1.00 0.00 C ATOM 609 CD1 LEU A 44 -2.335 -3.052 12.327 1.00 0.00 C ATOM 610 CD2 LEU A 44 -1.095 -5.213 12.803 1.00 0.00 C ATOM 0 H LEU A 44 0.624 -2.812 8.822 1.00 0.00 H new ATOM 0 HA LEU A 44 1.392 -3.062 11.547 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.917 -2.970 10.278 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.755 -4.714 10.339 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.294 -3.248 12.887 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.703 -3.067 13.353 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.200 -2.019 12.005 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.057 -3.544 11.675 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.487 -5.184 13.820 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.763 -5.801 12.173 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.106 -5.670 12.809 1.00 0.00 H new ATOM 622 N PRO A 45 2.280 -5.322 11.991 1.00 0.00 N ATOM 623 CA PRO A 45 3.007 -6.562 12.204 1.00 0.00 C ATOM 624 C PRO A 45 2.059 -7.763 12.195 1.00 0.00 C ATOM 625 O PRO A 45 0.925 -7.666 12.661 1.00 0.00 O ATOM 626 CB PRO A 45 3.719 -6.377 13.534 1.00 0.00 C ATOM 627 CG PRO A 45 3.000 -5.237 14.236 1.00 0.00 C ATOM 628 CD PRO A 45 2.125 -4.535 13.210 1.00 0.00 C ATOM 0 HA PRO A 45 3.723 -6.771 11.409 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.679 -7.289 14.129 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.772 -6.141 13.384 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.394 -5.617 15.058 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.719 -4.539 14.666 1.00 0.00 H new ATOM 0 HD2 PRO A 45 1.084 -4.504 13.532 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.442 -3.503 13.058 1.00 0.00 H new ATOM 636 N GLY A 46 2.558 -8.867 11.660 1.00 0.00 N ATOM 637 CA GLY A 46 1.770 -10.085 11.584 1.00 0.00 C ATOM 638 C GLY A 46 0.578 -9.909 10.641 1.00 0.00 C ATOM 639 O GLY A 46 -0.338 -10.730 10.632 1.00 0.00 O ATOM 0 H GLY A 46 3.499 -8.944 11.275 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.396 -10.906 11.235 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.415 -10.355 12.578 1.00 0.00 H new ATOM 643 N SER A 47 0.629 -8.833 9.869 1.00 0.00 N ATOM 644 CA SER A 47 -0.435 -8.539 8.925 1.00 0.00 C ATOM 645 C SER A 47 -0.088 -9.115 7.550 1.00 0.00 C ATOM 646 O SER A 47 1.023 -9.596 7.337 1.00 0.00 O ATOM 647 CB SER A 47 -0.680 -7.032 8.823 1.00 0.00 C ATOM 648 OG SER A 47 -0.031 -6.461 7.689 1.00 0.00 O ATOM 0 H SER A 47 1.391 -8.155 9.878 1.00 0.00 H new ATOM 0 HA SER A 47 -1.352 -9.005 9.286 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.752 -6.842 8.761 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.322 -6.544 9.730 1.00 0.00 H new ATOM 0 HG SER A 47 0.482 -5.674 7.968 1.00 0.00 H new ATOM 654 N PRO A 48 -1.086 -9.044 6.629 1.00 0.00 N ATOM 655 CA PRO A 48 -0.898 -9.552 5.281 1.00 0.00 C ATOM 656 C PRO A 48 -0.022 -8.607 4.456 1.00 0.00 C ATOM 657 O PRO A 48 1.058 -8.988 4.008 1.00 0.00 O ATOM 658 CB PRO A 48 -2.301 -9.704 4.718 1.00 0.00 C ATOM 659 CG PRO A 48 -3.197 -8.843 5.593 1.00 0.00 C ATOM 660 CD PRO A 48 -2.415 -8.480 6.845 1.00 0.00 C ATOM 0 HA PRO A 48 -0.370 -10.505 5.261 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.342 -9.379 3.678 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.619 -10.746 4.739 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.502 -7.943 5.059 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.108 -9.382 5.854 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.369 -7.400 6.984 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -2.881 -8.896 7.738 1.00 0.00 H new ATOM 668 N ALA A 49 -0.520 -7.392 4.280 1.00 0.00 N ATOM 669 CA ALA A 49 0.203 -6.389 3.517 1.00 0.00 C ATOM 670 C ALA A 49 1.675 -6.401 3.934 1.00 0.00 C ATOM 671 O ALA A 49 2.565 -6.381 3.085 1.00 0.00 O ATOM 672 CB ALA A 49 -0.450 -5.021 3.723 1.00 0.00 C ATOM 0 H ALA A 49 -1.416 -7.079 4.653 1.00 0.00 H new ATOM 0 HA ALA A 49 0.160 -6.613 2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.093 -4.269 3.150 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.485 -5.057 3.384 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.423 -4.761 4.781 1.00 0.00 H new ATOM 678 N ALA A 50 1.886 -6.434 5.242 1.00 0.00 N ATOM 679 CA ALA A 50 3.235 -6.448 5.782 1.00 0.00 C ATOM 680 C ALA A 50 3.964 -7.700 5.289 1.00 0.00 C ATOM 681 O ALA A 50 4.942 -7.602 4.549 1.00 0.00 O ATOM 682 CB ALA A 50 3.175 -6.372 7.309 1.00 0.00 C ATOM 0 H ALA A 50 1.146 -6.451 5.943 1.00 0.00 H new ATOM 0 HA ALA A 50 3.796 -5.581 5.434 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.187 -6.383 7.714 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.674 -5.451 7.608 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.621 -7.228 7.694 1.00 0.00 H new ATOM 688 N ALA A 51 3.460 -8.847 5.719 1.00 0.00 N ATOM 689 CA ALA A 51 4.050 -10.117 5.330 1.00 0.00 C ATOM 690 C ALA A 51 4.351 -10.096 3.830 1.00 0.00 C ATOM 691 O ALA A 51 5.332 -10.688 3.382 1.00 0.00 O ATOM 692 CB ALA A 51 3.110 -11.258 5.721 1.00 0.00 C ATOM 0 H ALA A 51 2.649 -8.924 6.333 1.00 0.00 H new ATOM 0 HA ALA A 51 4.993 -10.279 5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.553 -12.210 5.429 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.953 -11.246 6.800 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.154 -11.132 5.213 1.00 0.00 H new ATOM 698 N ASP A 52 3.489 -9.409 3.095 1.00 0.00 N ATOM 699 CA ASP A 52 3.650 -9.304 1.655 1.00 0.00 C ATOM 700 C ASP A 52 5.102 -8.944 1.334 1.00 0.00 C ATOM 701 O ASP A 52 5.757 -9.632 0.553 1.00 0.00 O ATOM 702 CB ASP A 52 2.752 -8.207 1.079 1.00 0.00 C ATOM 703 CG ASP A 52 2.202 -8.490 -0.320 1.00 0.00 C ATOM 704 OD1 ASP A 52 1.341 -9.390 -0.420 1.00 0.00 O ATOM 705 OD2 ASP A 52 2.657 -7.800 -1.259 1.00 0.00 O ATOM 0 H ASP A 52 2.677 -8.919 3.470 1.00 0.00 H new ATOM 0 HA ASP A 52 3.376 -10.262 1.214 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.914 -8.051 1.758 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.316 -7.275 1.050 1.00 0.00 H new ATOM 710 N GLY A 53 5.562 -7.866 1.952 1.00 0.00 N ATOM 711 CA GLY A 53 6.924 -7.407 1.742 1.00 0.00 C ATOM 712 C GLY A 53 6.977 -6.326 0.660 1.00 0.00 C ATOM 713 O GLY A 53 7.364 -5.190 0.930 1.00 0.00 O ATOM 0 H GLY A 53 5.015 -7.297 2.598 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.327 -7.013 2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.554 -8.248 1.453 1.00 0.00 H new ATOM 717 N ARG A 54 6.583 -6.719 -0.543 1.00 0.00 N ATOM 718 CA ARG A 54 6.581 -5.798 -1.667 1.00 0.00 C ATOM 719 C ARG A 54 5.987 -4.451 -1.249 1.00 0.00 C ATOM 720 O ARG A 54 6.492 -3.399 -1.636 1.00 0.00 O ATOM 721 CB ARG A 54 5.774 -6.361 -2.839 1.00 0.00 C ATOM 722 CG ARG A 54 6.432 -6.013 -4.175 1.00 0.00 C ATOM 723 CD ARG A 54 6.643 -4.503 -4.305 1.00 0.00 C ATOM 724 NE ARG A 54 7.154 -4.178 -5.656 1.00 0.00 N ATOM 725 CZ ARG A 54 8.442 -4.266 -6.013 1.00 0.00 C ATOM 726 NH1 ARG A 54 9.358 -4.670 -5.123 1.00 0.00 N ATOM 727 NH2 ARG A 54 8.814 -3.951 -7.262 1.00 0.00 N ATOM 0 H ARG A 54 6.263 -7.662 -0.763 1.00 0.00 H new ATOM 0 HA ARG A 54 7.615 -5.661 -1.984 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.691 -7.443 -2.741 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.761 -5.960 -2.813 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.390 -6.526 -4.257 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.808 -6.369 -4.995 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.704 -3.979 -4.127 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.348 -4.159 -3.548 1.00 0.00 H new ATOM 0 HE ARG A 54 6.483 -3.868 -6.359 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.075 -4.911 -4.173 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.339 -4.737 -5.395 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.116 -3.644 -7.940 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.795 -4.018 -7.534 1.00 0.00 H new ATOM 741 N LEU A 55 4.923 -4.528 -0.463 1.00 0.00 N ATOM 742 CA LEU A 55 4.255 -3.328 0.012 1.00 0.00 C ATOM 743 C LEU A 55 5.249 -2.476 0.803 1.00 0.00 C ATOM 744 O LEU A 55 5.637 -2.837 1.913 1.00 0.00 O ATOM 745 CB LEU A 55 2.995 -3.692 0.799 1.00 0.00 C ATOM 746 CG LEU A 55 1.806 -4.184 -0.029 1.00 0.00 C ATOM 747 CD1 LEU A 55 0.813 -4.957 0.842 1.00 0.00 C ATOM 748 CD2 LEU A 55 1.137 -3.025 -0.771 1.00 0.00 C ATOM 0 H LEU A 55 4.507 -5.403 -0.143 1.00 0.00 H new ATOM 0 HA LEU A 55 3.914 -2.724 -0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.253 -4.465 1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.680 -2.817 1.367 1.00 0.00 H new ATOM 0 HG LEU A 55 2.179 -4.877 -0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.022 -5.295 0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.311 -5.820 1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.442 -4.307 1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.295 -3.402 -1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.780 -2.289 -0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.859 -2.557 -1.440 1.00 0.00 H new ATOM 760 N SER A 56 5.634 -1.360 0.201 1.00 0.00 N ATOM 761 CA SER A 56 6.575 -0.453 0.835 1.00 0.00 C ATOM 762 C SER A 56 5.838 0.775 1.373 1.00 0.00 C ATOM 763 O SER A 56 4.698 1.036 0.990 1.00 0.00 O ATOM 764 CB SER A 56 7.673 -0.027 -0.141 1.00 0.00 C ATOM 765 OG SER A 56 8.449 -1.136 -0.588 1.00 0.00 O ATOM 0 H SER A 56 5.311 -1.063 -0.720 1.00 0.00 H new ATOM 0 HA SER A 56 7.048 -0.978 1.665 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.222 0.470 -1.000 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.325 0.701 0.342 1.00 0.00 H new ATOM 0 HG SER A 56 7.854 -1.830 -0.942 1.00 0.00 H new ATOM 771 N LEU A 57 6.518 1.496 2.252 1.00 0.00 N ATOM 772 CA LEU A 57 5.941 2.691 2.846 1.00 0.00 C ATOM 773 C LEU A 57 6.018 3.842 1.841 1.00 0.00 C ATOM 774 O LEU A 57 7.089 4.146 1.320 1.00 0.00 O ATOM 775 CB LEU A 57 6.611 2.999 4.187 1.00 0.00 C ATOM 776 CG LEU A 57 6.564 1.883 5.232 1.00 0.00 C ATOM 777 CD1 LEU A 57 6.797 2.439 6.638 1.00 0.00 C ATOM 778 CD2 LEU A 57 5.255 1.097 5.136 1.00 0.00 C ATOM 0 H LEU A 57 7.463 1.276 2.567 1.00 0.00 H new ATOM 0 HA LEU A 57 4.886 2.534 3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.655 3.251 4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.140 3.886 4.610 1.00 0.00 H new ATOM 0 HG LEU A 57 7.375 1.185 5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.759 1.625 7.362 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.775 2.918 6.682 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.024 3.170 6.873 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.247 0.310 5.890 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.414 1.769 5.305 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.170 0.651 4.145 1.00 0.00 H new ATOM 790 N GLY A 58 4.866 4.452 1.600 1.00 0.00 N ATOM 791 CA GLY A 58 4.789 5.563 0.667 1.00 0.00 C ATOM 792 C GLY A 58 4.091 5.144 -0.628 1.00 0.00 C ATOM 793 O GLY A 58 3.691 5.992 -1.425 1.00 0.00 O ATOM 0 H GLY A 58 3.979 4.198 2.035 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.247 6.390 1.125 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.793 5.925 0.443 1.00 0.00 H new ATOM 797 N ASP A 59 3.966 3.836 -0.799 1.00 0.00 N ATOM 798 CA ASP A 59 3.323 3.294 -1.985 1.00 0.00 C ATOM 799 C ASP A 59 2.027 4.062 -2.253 1.00 0.00 C ATOM 800 O ASP A 59 1.561 4.816 -1.401 1.00 0.00 O ATOM 801 CB ASP A 59 2.968 1.819 -1.792 1.00 0.00 C ATOM 802 CG ASP A 59 4.139 0.846 -1.942 1.00 0.00 C ATOM 803 OD1 ASP A 59 5.192 1.298 -2.443 1.00 0.00 O ATOM 804 OD2 ASP A 59 3.956 -0.327 -1.553 1.00 0.00 O ATOM 0 H ASP A 59 4.299 3.136 -0.136 1.00 0.00 H new ATOM 0 HA ASP A 59 4.017 3.392 -2.820 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.535 1.692 -0.800 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.197 1.549 -2.513 1.00 0.00 H new ATOM 809 N ARG A 60 1.482 3.843 -3.440 1.00 0.00 N ATOM 810 CA ARG A 60 0.249 4.505 -3.831 1.00 0.00 C ATOM 811 C ARG A 60 -0.703 3.506 -4.493 1.00 0.00 C ATOM 812 O ARG A 60 -0.288 2.713 -5.337 1.00 0.00 O ATOM 813 CB ARG A 60 0.525 5.655 -4.802 1.00 0.00 C ATOM 814 CG ARG A 60 -0.771 6.371 -5.186 1.00 0.00 C ATOM 815 CD ARG A 60 -0.575 7.223 -6.442 1.00 0.00 C ATOM 816 NE ARG A 60 -1.640 8.247 -6.530 1.00 0.00 N ATOM 817 CZ ARG A 60 -1.567 9.343 -7.296 1.00 0.00 C ATOM 818 NH1 ARG A 60 -0.478 9.565 -8.046 1.00 0.00 N ATOM 819 NH2 ARG A 60 -2.581 10.219 -7.313 1.00 0.00 N ATOM 0 H ARG A 60 1.871 3.216 -4.144 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.211 4.908 -2.929 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.215 6.364 -4.345 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.011 5.270 -5.698 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.558 5.637 -5.359 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.100 7.003 -4.361 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.403 7.704 -6.416 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.595 6.589 -7.328 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.483 8.109 -5.972 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.295 8.899 -8.033 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.422 10.400 -8.630 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.409 10.051 -6.742 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.524 11.053 -7.897 1.00 0.00 H new ATOM 833 N ILE A 61 -1.961 3.577 -4.084 1.00 0.00 N ATOM 834 CA ILE A 61 -2.975 2.689 -4.626 1.00 0.00 C ATOM 835 C ILE A 61 -3.565 3.309 -5.894 1.00 0.00 C ATOM 836 O ILE A 61 -3.781 4.518 -5.956 1.00 0.00 O ATOM 837 CB ILE A 61 -4.021 2.356 -3.560 1.00 0.00 C ATOM 838 CG1 ILE A 61 -3.358 2.065 -2.212 1.00 0.00 C ATOM 839 CG2 ILE A 61 -4.922 1.207 -4.016 1.00 0.00 C ATOM 840 CD1 ILE A 61 -2.398 0.879 -2.319 1.00 0.00 C ATOM 0 H ILE A 61 -2.301 4.236 -3.384 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.532 1.736 -4.913 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.658 3.230 -3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.816 2.947 -1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.123 1.853 -1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.656 0.990 -3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.437 1.491 -4.934 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.316 0.320 -4.199 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.940 0.693 -1.348 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.948 -0.007 -2.637 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.621 1.105 -3.049 1.00 0.00 H new ATOM 852 N LEU A 62 -3.808 2.452 -6.876 1.00 0.00 N ATOM 853 CA LEU A 62 -4.368 2.901 -8.139 1.00 0.00 C ATOM 854 C LEU A 62 -5.709 2.203 -8.373 1.00 0.00 C ATOM 855 O LEU A 62 -6.663 2.824 -8.838 1.00 0.00 O ATOM 856 CB LEU A 62 -3.362 2.697 -9.274 1.00 0.00 C ATOM 857 CG LEU A 62 -1.928 3.147 -8.988 1.00 0.00 C ATOM 858 CD1 LEU A 62 -1.030 2.922 -10.206 1.00 0.00 C ATOM 859 CD2 LEU A 62 -1.895 4.601 -8.512 1.00 0.00 C ATOM 0 H LEU A 62 -3.627 1.450 -6.822 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.566 3.972 -8.109 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.345 1.638 -9.532 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.722 3.233 -10.152 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.532 2.534 -8.178 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.016 3.250 -9.976 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.020 1.862 -10.460 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.413 3.493 -11.051 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.864 4.896 -8.316 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.317 5.246 -9.283 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.481 4.698 -7.598 1.00 0.00 H new ATOM 871 N GLU A 63 -5.739 0.921 -8.041 1.00 0.00 N ATOM 872 CA GLU A 63 -6.948 0.132 -8.209 1.00 0.00 C ATOM 873 C GLU A 63 -7.156 -0.785 -7.002 1.00 0.00 C ATOM 874 O GLU A 63 -6.221 -1.042 -6.245 1.00 0.00 O ATOM 875 CB GLU A 63 -6.900 -0.675 -9.508 1.00 0.00 C ATOM 876 CG GLU A 63 -6.985 0.245 -10.728 1.00 0.00 C ATOM 877 CD GLU A 63 -6.536 -0.484 -11.997 1.00 0.00 C ATOM 878 OE1 GLU A 63 -6.346 -1.716 -11.906 1.00 0.00 O ATOM 879 OE2 GLU A 63 -6.395 0.208 -13.028 1.00 0.00 O ATOM 0 H GLU A 63 -4.945 0.409 -7.656 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.796 0.813 -8.274 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.977 -1.253 -9.547 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.724 -1.388 -9.528 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.009 0.599 -10.850 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.361 1.124 -10.569 1.00 0.00 H new ATOM 886 N VAL A 64 -8.387 -1.252 -6.860 1.00 0.00 N ATOM 887 CA VAL A 64 -8.730 -2.135 -5.757 1.00 0.00 C ATOM 888 C VAL A 64 -9.862 -3.068 -6.190 1.00 0.00 C ATOM 889 O VAL A 64 -10.982 -2.620 -6.435 1.00 0.00 O ATOM 890 CB VAL A 64 -9.076 -1.311 -4.515 1.00 0.00 C ATOM 891 CG1 VAL A 64 -10.090 -2.045 -3.636 1.00 0.00 C ATOM 892 CG2 VAL A 64 -7.816 -0.959 -3.723 1.00 0.00 C ATOM 0 H VAL A 64 -9.160 -1.036 -7.490 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.878 -2.760 -5.489 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.534 -0.379 -4.847 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.319 -1.438 -2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.003 -2.221 -4.204 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -9.671 -2.999 -3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.090 -0.373 -2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.317 -1.875 -3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.142 -0.377 -4.352 1.00 0.00 H new ATOM 902 N ASN A 65 -9.532 -4.349 -6.272 1.00 0.00 N ATOM 903 CA ASN A 65 -10.508 -5.349 -6.671 1.00 0.00 C ATOM 904 C ASN A 65 -10.926 -5.098 -8.121 1.00 0.00 C ATOM 905 O ASN A 65 -11.932 -5.633 -8.582 1.00 0.00 O ATOM 906 CB ASN A 65 -11.762 -5.275 -5.797 1.00 0.00 C ATOM 907 CG ASN A 65 -11.765 -6.387 -4.746 1.00 0.00 C ATOM 908 OD1 ASN A 65 -11.581 -7.556 -5.042 1.00 0.00 O ATOM 909 ND2 ASN A 65 -11.983 -5.958 -3.506 1.00 0.00 N ATOM 0 H ASN A 65 -8.603 -4.717 -6.069 1.00 0.00 H new ATOM 0 HA ASN A 65 -10.049 -6.331 -6.560 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.809 -4.304 -5.304 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.651 -5.359 -6.422 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.004 -6.623 -2.733 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.130 -4.964 -3.328 1.00 0.00 H new ATOM 916 N GLY A 66 -10.132 -4.283 -8.799 1.00 0.00 N ATOM 917 CA GLY A 66 -10.407 -3.954 -10.187 1.00 0.00 C ATOM 918 C GLY A 66 -11.323 -2.733 -10.290 1.00 0.00 C ATOM 919 O GLY A 66 -11.957 -2.513 -11.321 1.00 0.00 O ATOM 0 H GLY A 66 -9.298 -3.841 -8.413 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.471 -3.756 -10.710 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.874 -4.806 -10.681 1.00 0.00 H new ATOM 923 N SER A 67 -11.363 -1.970 -9.208 1.00 0.00 N ATOM 924 CA SER A 67 -12.191 -0.777 -9.163 1.00 0.00 C ATOM 925 C SER A 67 -11.308 0.473 -9.143 1.00 0.00 C ATOM 926 O SER A 67 -10.740 0.819 -8.108 1.00 0.00 O ATOM 927 CB SER A 67 -13.116 -0.793 -7.945 1.00 0.00 C ATOM 928 OG SER A 67 -14.446 -0.407 -8.279 1.00 0.00 O ATOM 0 H SER A 67 -10.835 -2.155 -8.355 1.00 0.00 H new ATOM 0 HA SER A 67 -12.814 -0.760 -10.057 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.127 -1.793 -7.511 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.724 -0.119 -7.183 1.00 0.00 H new ATOM 0 HG SER A 67 -15.006 -0.432 -7.475 1.00 0.00 H new ATOM 934 N SER A 68 -11.220 1.115 -10.298 1.00 0.00 N ATOM 935 CA SER A 68 -10.416 2.319 -10.425 1.00 0.00 C ATOM 936 C SER A 68 -10.567 3.185 -9.173 1.00 0.00 C ATOM 937 O SER A 68 -11.636 3.739 -8.924 1.00 0.00 O ATOM 938 CB SER A 68 -10.809 3.115 -11.672 1.00 0.00 C ATOM 939 OG SER A 68 -10.151 2.635 -12.841 1.00 0.00 O ATOM 0 H SER A 68 -11.692 0.825 -11.154 1.00 0.00 H new ATOM 0 HA SER A 68 -9.372 2.023 -10.530 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.888 3.057 -11.814 1.00 0.00 H new ATOM 0 HB3 SER A 68 -10.563 4.166 -11.523 1.00 0.00 H new ATOM 0 HG SER A 68 -10.429 3.168 -13.615 1.00 0.00 H new ATOM 945 N LEU A 69 -9.482 3.273 -8.419 1.00 0.00 N ATOM 946 CA LEU A 69 -9.480 4.062 -7.199 1.00 0.00 C ATOM 947 C LEU A 69 -8.550 5.264 -7.374 1.00 0.00 C ATOM 948 O LEU A 69 -7.543 5.381 -6.677 1.00 0.00 O ATOM 949 CB LEU A 69 -9.132 3.185 -5.994 1.00 0.00 C ATOM 950 CG LEU A 69 -10.113 3.238 -4.821 1.00 0.00 C ATOM 951 CD1 LEU A 69 -9.758 2.191 -3.762 1.00 0.00 C ATOM 952 CD2 LEU A 69 -10.186 4.648 -4.230 1.00 0.00 C ATOM 0 H LEU A 69 -8.597 2.811 -8.629 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.476 4.457 -7.000 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.056 2.151 -6.332 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.146 3.475 -5.631 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.107 2.994 -5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.470 2.250 -2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.798 1.196 -4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.753 2.380 -3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.890 4.658 -3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.199 4.945 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.520 5.347 -4.997 1.00 0.00 H new ATOM 964 N LEU A 70 -8.919 6.126 -8.310 1.00 0.00 N ATOM 965 CA LEU A 70 -8.130 7.315 -8.586 1.00 0.00 C ATOM 966 C LEU A 70 -8.525 8.422 -7.607 1.00 0.00 C ATOM 967 O LEU A 70 -9.528 9.105 -7.808 1.00 0.00 O ATOM 968 CB LEU A 70 -8.263 7.717 -10.056 1.00 0.00 C ATOM 969 CG LEU A 70 -7.506 6.846 -11.061 1.00 0.00 C ATOM 970 CD1 LEU A 70 -8.039 7.056 -12.479 1.00 0.00 C ATOM 971 CD2 LEU A 70 -5.999 7.091 -10.972 1.00 0.00 C ATOM 0 H LEU A 70 -9.754 6.025 -8.887 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.070 7.114 -8.430 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.320 7.707 -10.321 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.917 8.745 -10.164 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.678 5.800 -10.805 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.484 6.425 -13.173 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.096 6.791 -12.513 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.918 8.102 -12.762 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.484 6.460 -11.696 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.787 8.138 -11.188 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.650 6.850 -9.968 1.00 0.00 H new ATOM 983 N GLY A 71 -7.715 8.566 -6.568 1.00 0.00 N ATOM 984 CA GLY A 71 -7.967 9.580 -5.557 1.00 0.00 C ATOM 985 C GLY A 71 -9.469 9.789 -5.353 1.00 0.00 C ATOM 986 O GLY A 71 -9.967 10.906 -5.480 1.00 0.00 O ATOM 0 H GLY A 71 -6.884 7.998 -6.404 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.506 9.282 -4.615 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.503 10.520 -5.856 1.00 0.00 H new ATOM 990 N LEU A 72 -10.149 8.695 -5.041 1.00 0.00 N ATOM 991 CA LEU A 72 -11.584 8.745 -4.818 1.00 0.00 C ATOM 992 C LEU A 72 -11.857 9.164 -3.372 1.00 0.00 C ATOM 993 O LEU A 72 -11.026 8.949 -2.492 1.00 0.00 O ATOM 994 CB LEU A 72 -12.233 7.414 -5.205 1.00 0.00 C ATOM 995 CG LEU A 72 -13.376 6.938 -4.307 1.00 0.00 C ATOM 996 CD1 LEU A 72 -14.657 7.728 -4.585 1.00 0.00 C ATOM 997 CD2 LEU A 72 -13.591 5.430 -4.445 1.00 0.00 C ATOM 0 H LEU A 72 -9.733 7.769 -4.937 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.043 9.496 -5.460 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.610 7.499 -6.224 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.460 6.645 -5.214 1.00 0.00 H new ATOM 0 HG LEU A 72 -13.098 7.129 -3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -15.454 7.370 -3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.480 8.787 -4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.950 7.591 -5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -14.409 5.118 -3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -13.837 5.191 -5.480 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.680 4.905 -4.158 1.00 0.00 H new ATOM 1009 N GLY A 73 -13.026 9.755 -3.172 1.00 0.00 N ATOM 1010 CA GLY A 73 -13.419 10.206 -1.848 1.00 0.00 C ATOM 1011 C GLY A 73 -12.834 9.299 -0.763 1.00 0.00 C ATOM 1012 O GLY A 73 -13.036 8.086 -0.788 1.00 0.00 O ATOM 0 H GLY A 73 -13.713 9.932 -3.905 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -13.079 11.230 -1.693 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.506 10.216 -1.771 1.00 0.00 H new ATOM 1016 N TYR A 74 -12.121 9.923 0.163 1.00 0.00 N ATOM 1017 CA TYR A 74 -11.506 9.187 1.255 1.00 0.00 C ATOM 1018 C TYR A 74 -12.502 8.215 1.891 1.00 0.00 C ATOM 1019 O TYR A 74 -12.167 7.061 2.153 1.00 0.00 O ATOM 1020 CB TYR A 74 -11.099 10.234 2.293 1.00 0.00 C ATOM 1021 CG TYR A 74 -10.597 9.641 3.611 1.00 0.00 C ATOM 1022 CD1 TYR A 74 -9.268 9.296 3.750 1.00 0.00 C ATOM 1023 CD2 TYR A 74 -11.472 9.452 4.661 1.00 0.00 C ATOM 1024 CE1 TYR A 74 -8.795 8.738 4.990 1.00 0.00 C ATOM 1025 CE2 TYR A 74 -10.999 8.894 5.901 1.00 0.00 C ATOM 1026 CZ TYR A 74 -9.684 8.565 6.005 1.00 0.00 C ATOM 1027 OH TYR A 74 -9.237 8.038 7.176 1.00 0.00 O ATOM 0 H TYR A 74 -11.955 10.929 0.180 1.00 0.00 H new ATOM 0 HA TYR A 74 -10.658 8.604 0.895 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.318 10.866 1.870 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -11.954 10.878 2.499 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.583 9.445 2.929 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -12.512 9.723 4.553 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.758 8.463 5.112 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -11.674 8.740 6.730 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.981 7.973 7.811 1.00 0.00 H new ATOM 1037 N LEU A 75 -13.706 8.717 2.120 1.00 0.00 N ATOM 1038 CA LEU A 75 -14.753 7.908 2.721 1.00 0.00 C ATOM 1039 C LEU A 75 -15.178 6.818 1.735 1.00 0.00 C ATOM 1040 O LEU A 75 -15.708 5.784 2.137 1.00 0.00 O ATOM 1041 CB LEU A 75 -15.908 8.792 3.196 1.00 0.00 C ATOM 1042 CG LEU A 75 -15.953 9.087 4.696 1.00 0.00 C ATOM 1043 CD1 LEU A 75 -17.212 9.876 5.062 1.00 0.00 C ATOM 1044 CD2 LEU A 75 -15.827 7.799 5.512 1.00 0.00 C ATOM 0 H LEU A 75 -13.980 9.674 1.900 1.00 0.00 H new ATOM 0 HA LEU A 75 -14.380 7.404 3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -15.858 9.740 2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -16.846 8.315 2.911 1.00 0.00 H new ATOM 0 HG LEU A 75 -15.096 9.713 4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -17.219 10.073 6.134 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -17.219 10.821 4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -18.095 9.297 4.793 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.862 8.037 6.575 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.650 7.129 5.263 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.880 7.313 5.280 1.00 0.00 H new ATOM 1056 N ARG A 76 -14.928 7.087 0.461 1.00 0.00 N ATOM 1057 CA ARG A 76 -15.278 6.142 -0.585 1.00 0.00 C ATOM 1058 C ARG A 76 -14.160 5.113 -0.768 1.00 0.00 C ATOM 1059 O ARG A 76 -14.398 3.910 -0.674 1.00 0.00 O ATOM 1060 CB ARG A 76 -15.524 6.859 -1.915 1.00 0.00 C ATOM 1061 CG ARG A 76 -17.022 6.977 -2.205 1.00 0.00 C ATOM 1062 CD ARG A 76 -17.545 5.722 -2.907 1.00 0.00 C ATOM 1063 NE ARG A 76 -18.205 6.092 -4.179 1.00 0.00 N ATOM 1064 CZ ARG A 76 -18.874 5.229 -4.956 1.00 0.00 C ATOM 1065 NH1 ARG A 76 -18.976 3.943 -4.596 1.00 0.00 N ATOM 1066 NH2 ARG A 76 -19.441 5.654 -6.094 1.00 0.00 N ATOM 0 H ARG A 76 -14.487 7.946 0.131 1.00 0.00 H new ATOM 0 HA ARG A 76 -16.195 5.637 -0.282 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -15.076 7.852 -1.885 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -15.035 6.313 -2.722 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -17.566 7.130 -1.273 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -17.208 7.851 -2.829 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -16.722 5.034 -3.101 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -18.250 5.200 -2.260 1.00 0.00 H new ATOM 0 HE ARG A 76 -18.147 7.064 -4.483 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -18.544 3.620 -3.730 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -19.485 3.287 -5.188 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -19.363 6.633 -6.368 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -19.950 4.998 -6.686 1.00 0.00 H new ATOM 1080 N ALA A 77 -12.965 5.625 -1.024 1.00 0.00 N ATOM 1081 CA ALA A 77 -11.810 4.765 -1.220 1.00 0.00 C ATOM 1082 C ALA A 77 -11.647 3.852 -0.004 1.00 0.00 C ATOM 1083 O ALA A 77 -11.361 2.665 -0.148 1.00 0.00 O ATOM 1084 CB ALA A 77 -10.571 5.626 -1.474 1.00 0.00 C ATOM 0 H ALA A 77 -12.772 6.624 -1.100 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.949 4.128 -2.093 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.704 4.982 -1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.727 6.234 -2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.398 6.277 -0.617 1.00 0.00 H new ATOM 1090 N VAL A 78 -11.835 4.441 1.168 1.00 0.00 N ATOM 1091 CA VAL A 78 -11.712 3.696 2.409 1.00 0.00 C ATOM 1092 C VAL A 78 -12.777 2.598 2.447 1.00 0.00 C ATOM 1093 O VAL A 78 -12.479 1.450 2.772 1.00 0.00 O ATOM 1094 CB VAL A 78 -11.794 4.650 3.603 1.00 0.00 C ATOM 1095 CG1 VAL A 78 -13.220 5.169 3.793 1.00 0.00 C ATOM 1096 CG2 VAL A 78 -11.280 3.977 4.878 1.00 0.00 C ATOM 0 H VAL A 78 -12.072 5.426 1.284 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.739 3.208 2.467 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.152 5.506 3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -13.250 5.845 4.648 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.535 5.703 2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -13.892 4.329 3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.349 4.676 5.712 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.884 3.095 5.093 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.241 3.680 4.739 1.00 0.00 H new ATOM 1106 N ASP A 79 -13.998 2.990 2.111 1.00 0.00 N ATOM 1107 CA ASP A 79 -15.109 2.053 2.102 1.00 0.00 C ATOM 1108 C ASP A 79 -14.752 0.853 1.223 1.00 0.00 C ATOM 1109 O ASP A 79 -14.821 -0.291 1.669 1.00 0.00 O ATOM 1110 CB ASP A 79 -16.371 2.701 1.529 1.00 0.00 C ATOM 1111 CG ASP A 79 -17.684 2.034 1.942 1.00 0.00 C ATOM 1112 OD1 ASP A 79 -17.957 2.024 3.162 1.00 0.00 O ATOM 1113 OD2 ASP A 79 -18.386 1.550 1.029 1.00 0.00 O ATOM 0 H ASP A 79 -14.242 3.943 1.843 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.298 1.744 3.130 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -16.398 3.746 1.839 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.303 2.693 0.441 1.00 0.00 H new ATOM 1118 N LEU A 80 -14.378 1.156 -0.012 1.00 0.00 N ATOM 1119 CA LEU A 80 -14.010 0.116 -0.958 1.00 0.00 C ATOM 1120 C LEU A 80 -13.172 -0.945 -0.243 1.00 0.00 C ATOM 1121 O LEU A 80 -13.573 -2.104 -0.157 1.00 0.00 O ATOM 1122 CB LEU A 80 -13.321 0.724 -2.181 1.00 0.00 C ATOM 1123 CG LEU A 80 -14.244 1.207 -3.302 1.00 0.00 C ATOM 1124 CD1 LEU A 80 -13.436 1.711 -4.499 1.00 0.00 C ATOM 1125 CD2 LEU A 80 -15.239 0.115 -3.700 1.00 0.00 C ATOM 0 H LEU A 80 -14.322 2.106 -0.379 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.900 -0.385 -1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.714 1.566 -1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.638 -0.018 -2.594 1.00 0.00 H new ATOM 0 HG LEU A 80 -14.824 2.051 -2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -14.116 2.048 -5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -12.802 2.541 -4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.813 0.903 -4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -15.883 0.483 -4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.695 -0.763 -4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.848 -0.154 -2.837 1.00 0.00 H new ATOM 1137 N ILE A 81 -12.022 -0.510 0.251 1.00 0.00 N ATOM 1138 CA ILE A 81 -11.123 -1.408 0.956 1.00 0.00 C ATOM 1139 C ILE A 81 -11.829 -1.960 2.196 1.00 0.00 C ATOM 1140 O ILE A 81 -11.903 -3.173 2.385 1.00 0.00 O ATOM 1141 CB ILE A 81 -9.798 -0.708 1.262 1.00 0.00 C ATOM 1142 CG1 ILE A 81 -8.905 -0.655 0.021 1.00 0.00 C ATOM 1143 CG2 ILE A 81 -9.091 -1.367 2.449 1.00 0.00 C ATOM 1144 CD1 ILE A 81 -9.034 0.694 -0.690 1.00 0.00 C ATOM 0 H ILE A 81 -11.692 0.452 0.177 1.00 0.00 H new ATOM 0 HA ILE A 81 -10.868 -2.262 0.328 1.00 0.00 H new ATOM 0 HB ILE A 81 -10.014 0.322 1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.867 -0.821 0.308 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.179 -1.458 -0.663 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.152 -0.850 2.646 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.729 -1.308 3.331 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.888 -2.413 2.217 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.389 0.705 -1.569 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.069 0.846 -0.997 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -8.736 1.493 -0.011 1.00 0.00 H new ATOM 1156 N ARG A 82 -12.329 -1.041 3.010 1.00 0.00 N ATOM 1157 CA ARG A 82 -13.026 -1.420 4.227 1.00 0.00 C ATOM 1158 C ARG A 82 -13.982 -2.582 3.951 1.00 0.00 C ATOM 1159 O ARG A 82 -13.932 -3.607 4.630 1.00 0.00 O ATOM 1160 CB ARG A 82 -13.817 -0.242 4.798 1.00 0.00 C ATOM 1161 CG ARG A 82 -15.090 -0.724 5.498 1.00 0.00 C ATOM 1162 CD ARG A 82 -15.544 0.278 6.561 1.00 0.00 C ATOM 1163 NE ARG A 82 -15.720 -0.408 7.861 1.00 0.00 N ATOM 1164 CZ ARG A 82 -15.945 0.225 9.020 1.00 0.00 C ATOM 1165 NH1 ARG A 82 -16.021 1.563 9.049 1.00 0.00 N ATOM 1166 NH2 ARG A 82 -16.092 -0.479 10.151 1.00 0.00 N ATOM 0 H ARG A 82 -12.265 -0.036 2.850 1.00 0.00 H new ATOM 0 HA ARG A 82 -12.277 -1.727 4.957 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -13.196 0.310 5.504 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.078 0.448 3.996 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.883 -0.864 4.763 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.910 -1.694 5.961 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.808 1.076 6.658 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -16.481 0.744 6.257 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.667 -1.427 7.875 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -15.908 2.099 8.189 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -16.192 2.045 9.931 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -16.033 -1.497 10.129 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -16.263 0.003 11.033 1.00 0.00 H new ATOM 1180 N HIS A 83 -14.832 -2.384 2.954 1.00 0.00 N ATOM 1181 CA HIS A 83 -15.798 -3.402 2.580 1.00 0.00 C ATOM 1182 C HIS A 83 -15.201 -4.303 1.498 1.00 0.00 C ATOM 1183 O HIS A 83 -15.909 -4.748 0.595 1.00 0.00 O ATOM 1184 CB HIS A 83 -17.123 -2.765 2.157 1.00 0.00 C ATOM 1185 CG HIS A 83 -17.883 -2.117 3.290 1.00 0.00 C ATOM 1186 ND1 HIS A 83 -18.655 -0.980 3.122 1.00 0.00 N ATOM 1187 CD2 HIS A 83 -17.981 -2.458 4.607 1.00 0.00 C ATOM 1188 CE1 HIS A 83 -19.188 -0.661 4.292 1.00 0.00 C ATOM 1189 NE2 HIS A 83 -18.769 -1.577 5.211 1.00 0.00 N ATOM 0 H HIS A 83 -14.871 -1.533 2.394 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.023 -4.029 3.443 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -16.926 -2.016 1.390 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -17.753 -3.529 1.701 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -17.499 -3.302 5.078 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -19.840 0.178 4.484 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -19.020 -1.584 6.200 1.00 0.00 H new ATOM 1197 N GLY A 84 -13.905 -4.545 1.623 1.00 0.00 N ATOM 1198 CA GLY A 84 -13.204 -5.385 0.666 1.00 0.00 C ATOM 1199 C GLY A 84 -13.798 -6.795 0.636 1.00 0.00 C ATOM 1200 O GLY A 84 -15.010 -6.959 0.503 1.00 0.00 O ATOM 0 H GLY A 84 -13.321 -4.174 2.373 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.265 -4.940 -0.327 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.147 -5.437 0.928 1.00 0.00 H new ATOM 1204 N GLY A 85 -12.917 -7.776 0.762 1.00 0.00 N ATOM 1205 CA GLY A 85 -13.339 -9.167 0.752 1.00 0.00 C ATOM 1206 C GLY A 85 -12.176 -10.095 1.108 1.00 0.00 C ATOM 1207 O GLY A 85 -11.026 -9.661 1.168 1.00 0.00 O ATOM 0 H GLY A 85 -11.913 -7.636 0.872 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.153 -9.309 1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.727 -9.426 -0.233 1.00 0.00 H new ATOM 1211 N LYS A 86 -12.516 -11.355 1.337 1.00 0.00 N ATOM 1212 CA LYS A 86 -11.514 -12.348 1.686 1.00 0.00 C ATOM 1213 C LYS A 86 -10.260 -12.122 0.839 1.00 0.00 C ATOM 1214 O LYS A 86 -9.142 -12.312 1.316 1.00 0.00 O ATOM 1215 CB LYS A 86 -12.093 -13.759 1.563 1.00 0.00 C ATOM 1216 CG LYS A 86 -13.034 -14.070 2.729 1.00 0.00 C ATOM 1217 CD LYS A 86 -13.341 -15.567 2.802 1.00 0.00 C ATOM 1218 CE LYS A 86 -14.667 -15.820 3.522 1.00 0.00 C ATOM 1219 NZ LYS A 86 -14.935 -17.272 3.619 1.00 0.00 N ATOM 0 H LYS A 86 -13.471 -11.711 1.288 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.218 -12.239 2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.633 -13.854 0.621 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.283 -14.488 1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.580 -13.742 3.664 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.962 -13.510 2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.385 -15.982 1.795 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.535 -16.082 3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.635 -15.383 4.520 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.479 -15.329 2.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.839 -17.426 4.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.986 -17.680 2.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.169 -17.732 4.151 1.00 0.00 H new ATOM 1233 N LYS A 87 -10.488 -11.720 -0.402 1.00 0.00 N ATOM 1234 CA LYS A 87 -9.391 -11.465 -1.320 1.00 0.00 C ATOM 1235 C LYS A 87 -9.364 -9.978 -1.676 1.00 0.00 C ATOM 1236 O LYS A 87 -10.281 -9.474 -2.323 1.00 0.00 O ATOM 1237 CB LYS A 87 -9.486 -12.388 -2.537 1.00 0.00 C ATOM 1238 CG LYS A 87 -8.319 -13.377 -2.568 1.00 0.00 C ATOM 1239 CD LYS A 87 -8.291 -14.151 -3.887 1.00 0.00 C ATOM 1240 CE LYS A 87 -8.241 -15.659 -3.637 1.00 0.00 C ATOM 1241 NZ LYS A 87 -6.902 -16.196 -3.965 1.00 0.00 N ATOM 0 H LYS A 87 -11.417 -11.564 -0.794 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.437 -11.696 -0.847 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.429 -12.934 -2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.487 -11.793 -3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.379 -12.840 -2.437 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.406 -14.074 -1.735 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.175 -13.906 -4.476 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.424 -13.847 -4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.477 -15.868 -2.594 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.998 -16.159 -4.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.886 -17.221 -3.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.690 -16.013 -4.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.186 -15.732 -3.370 1.00 0.00 H new ATOM 1255 N MET A 88 -8.303 -9.316 -1.239 1.00 0.00 N ATOM 1256 CA MET A 88 -8.144 -7.896 -1.504 1.00 0.00 C ATOM 1257 C MET A 88 -6.990 -7.646 -2.476 1.00 0.00 C ATOM 1258 O MET A 88 -5.883 -8.143 -2.274 1.00 0.00 O ATOM 1259 CB MET A 88 -7.875 -7.159 -0.191 1.00 0.00 C ATOM 1260 CG MET A 88 -9.142 -7.081 0.664 1.00 0.00 C ATOM 1261 SD MET A 88 -9.533 -5.377 1.022 1.00 0.00 S ATOM 1262 CE MET A 88 -9.679 -4.737 -0.638 1.00 0.00 C ATOM 0 H MET A 88 -7.544 -9.737 -0.703 1.00 0.00 H new ATOM 0 HA MET A 88 -9.063 -7.525 -1.958 1.00 0.00 H new ATOM 0 HB2 MET A 88 -7.089 -7.672 0.363 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.512 -6.153 -0.402 1.00 0.00 H new ATOM 0 HG2 MET A 88 -9.974 -7.551 0.140 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.998 -7.633 1.593 1.00 0.00 H new ATOM 0 HE1 MET A 88 -9.393 -3.685 -0.649 1.00 0.00 H new ATOM 0 HE2 MET A 88 -9.023 -5.298 -1.303 1.00 0.00 H new ATOM 0 HE3 MET A 88 -10.710 -4.836 -0.977 1.00 0.00 H new ATOM 1272 N ARG A 89 -7.288 -6.874 -3.511 1.00 0.00 N ATOM 1273 CA ARG A 89 -6.289 -6.551 -4.516 1.00 0.00 C ATOM 1274 C ARG A 89 -6.008 -5.047 -4.521 1.00 0.00 C ATOM 1275 O ARG A 89 -6.913 -4.242 -4.301 1.00 0.00 O ATOM 1276 CB ARG A 89 -6.750 -6.982 -5.910 1.00 0.00 C ATOM 1277 CG ARG A 89 -5.741 -6.553 -6.978 1.00 0.00 C ATOM 1278 CD ARG A 89 -6.308 -5.429 -7.847 1.00 0.00 C ATOM 1279 NE ARG A 89 -5.334 -5.063 -8.899 1.00 0.00 N ATOM 1280 CZ ARG A 89 -5.664 -4.476 -10.058 1.00 0.00 C ATOM 1281 NH1 ARG A 89 -6.946 -4.187 -10.321 1.00 0.00 N ATOM 1282 NH2 ARG A 89 -4.713 -4.180 -10.954 1.00 0.00 N ATOM 0 H ARG A 89 -8.207 -6.463 -3.675 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.378 -7.093 -4.264 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -6.875 -8.064 -5.937 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.724 -6.543 -6.127 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.820 -6.219 -6.500 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -5.483 -7.407 -7.604 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -7.245 -5.748 -8.303 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -6.533 -4.559 -7.230 1.00 0.00 H new ATOM 0 HE ARG A 89 -4.349 -5.270 -8.732 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -7.670 -4.414 -9.639 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -7.198 -3.740 -11.203 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.738 -4.401 -10.754 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.964 -3.733 -11.836 1.00 0.00 H new ATOM 1296 N PHE A 90 -4.752 -4.712 -4.775 1.00 0.00 N ATOM 1297 CA PHE A 90 -4.341 -3.319 -4.812 1.00 0.00 C ATOM 1298 C PHE A 90 -3.267 -3.092 -5.878 1.00 0.00 C ATOM 1299 O PHE A 90 -2.231 -3.755 -5.872 1.00 0.00 O ATOM 1300 CB PHE A 90 -3.756 -2.989 -3.437 1.00 0.00 C ATOM 1301 CG PHE A 90 -4.636 -3.425 -2.265 1.00 0.00 C ATOM 1302 CD1 PHE A 90 -5.748 -2.710 -1.946 1.00 0.00 C ATOM 1303 CD2 PHE A 90 -4.307 -4.529 -1.541 1.00 0.00 C ATOM 1304 CE1 PHE A 90 -6.565 -3.115 -0.858 1.00 0.00 C ATOM 1305 CE2 PHE A 90 -5.124 -4.934 -0.453 1.00 0.00 C ATOM 1306 CZ PHE A 90 -6.236 -4.219 -0.134 1.00 0.00 C ATOM 0 H PHE A 90 -4.005 -5.382 -4.957 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.194 -2.686 -5.054 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.781 -3.468 -3.344 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.590 -1.914 -3.373 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.010 -1.834 -2.521 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.424 -5.097 -1.794 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -7.448 -2.547 -0.605 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.862 -5.810 0.122 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.858 -4.527 0.694 1.00 0.00 H new ATOM 1316 N LEU A 91 -3.552 -2.153 -6.768 1.00 0.00 N ATOM 1317 CA LEU A 91 -2.624 -1.830 -7.838 1.00 0.00 C ATOM 1318 C LEU A 91 -1.646 -0.758 -7.353 1.00 0.00 C ATOM 1319 O LEU A 91 -1.923 0.436 -7.463 1.00 0.00 O ATOM 1320 CB LEU A 91 -3.384 -1.439 -9.107 1.00 0.00 C ATOM 1321 CG LEU A 91 -2.567 -1.423 -10.401 1.00 0.00 C ATOM 1322 CD1 LEU A 91 -1.831 -2.749 -10.601 1.00 0.00 C ATOM 1323 CD2 LEU A 91 -3.447 -1.068 -11.601 1.00 0.00 C ATOM 0 H LEU A 91 -4.413 -1.605 -6.770 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.032 -2.705 -8.105 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.217 -2.130 -9.235 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.812 -0.448 -8.959 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.809 -0.644 -10.317 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.258 -2.711 -11.528 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.155 -2.920 -9.763 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.555 -3.562 -10.655 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.842 -1.064 -12.507 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.243 -1.806 -11.700 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.884 -0.081 -11.452 1.00 0.00 H new ATOM 1335 N VAL A 92 -0.522 -1.222 -6.828 1.00 0.00 N ATOM 1336 CA VAL A 92 0.499 -0.318 -6.325 1.00 0.00 C ATOM 1337 C VAL A 92 1.448 0.056 -7.465 1.00 0.00 C ATOM 1338 O VAL A 92 1.613 -0.707 -8.416 1.00 0.00 O ATOM 1339 CB VAL A 92 1.218 -0.952 -5.132 1.00 0.00 C ATOM 1340 CG1 VAL A 92 2.081 0.079 -4.402 1.00 0.00 C ATOM 1341 CG2 VAL A 92 0.220 -1.608 -4.176 1.00 0.00 C ATOM 0 H VAL A 92 -0.295 -2.213 -6.740 1.00 0.00 H new ATOM 0 HA VAL A 92 0.047 0.605 -5.962 1.00 0.00 H new ATOM 0 HB VAL A 92 1.878 -1.731 -5.513 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.581 -0.397 -3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.828 0.479 -5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.450 0.890 -4.039 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.757 -2.051 -3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.476 -0.856 -3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.333 -2.385 -4.704 1.00 0.00 H new ATOM 1351 N ALA A 93 2.047 1.231 -7.333 1.00 0.00 N ATOM 1352 CA ALA A 93 2.975 1.715 -8.340 1.00 0.00 C ATOM 1353 C ALA A 93 4.327 2.005 -7.684 1.00 0.00 C ATOM 1354 O ALA A 93 4.386 2.625 -6.624 1.00 0.00 O ATOM 1355 CB ALA A 93 2.385 2.948 -9.027 1.00 0.00 C ATOM 0 H ALA A 93 1.907 1.862 -6.544 1.00 0.00 H new ATOM 0 HA ALA A 93 3.136 0.959 -9.108 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.081 3.311 -9.783 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.440 2.683 -9.502 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.213 3.729 -8.287 1.00 0.00 H new ATOM 1361 N LYS A 94 5.379 1.542 -8.343 1.00 0.00 N ATOM 1362 CA LYS A 94 6.726 1.743 -7.838 1.00 0.00 C ATOM 1363 C LYS A 94 7.068 3.233 -7.888 1.00 0.00 C ATOM 1364 O LYS A 94 7.493 3.742 -8.924 1.00 0.00 O ATOM 1365 CB LYS A 94 7.720 0.859 -8.594 1.00 0.00 C ATOM 1366 CG LYS A 94 7.866 -0.505 -7.916 1.00 0.00 C ATOM 1367 CD LYS A 94 9.050 -0.513 -6.948 1.00 0.00 C ATOM 1368 CE LYS A 94 10.379 -0.518 -7.706 1.00 0.00 C ATOM 1369 NZ LYS A 94 11.152 -1.740 -7.388 1.00 0.00 N ATOM 0 H LYS A 94 5.325 1.028 -9.223 1.00 0.00 H new ATOM 0 HA LYS A 94 6.791 1.435 -6.794 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.384 0.724 -9.622 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.691 1.353 -8.639 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.950 -0.747 -7.377 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.005 -1.278 -8.672 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.000 0.362 -6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.992 -1.390 -6.304 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.193 -0.467 -8.779 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.959 0.366 -7.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.169 -1.526 -7.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.901 -2.072 -6.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.930 -2.482 -8.082 1.00 0.00 H new ATOM 1383 N SER A 95 6.869 3.892 -6.755 1.00 0.00 N ATOM 1384 CA SER A 95 7.150 5.314 -6.657 1.00 0.00 C ATOM 1385 C SER A 95 8.616 5.532 -6.277 1.00 0.00 C ATOM 1386 O SER A 95 9.380 4.575 -6.159 1.00 0.00 O ATOM 1387 CB SER A 95 6.232 5.988 -5.636 1.00 0.00 C ATOM 1388 OG SER A 95 5.448 7.023 -6.224 1.00 0.00 O ATOM 0 H SER A 95 6.517 3.467 -5.897 1.00 0.00 H new ATOM 0 HA SER A 95 6.961 5.768 -7.630 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.573 5.241 -5.193 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.833 6.403 -4.827 1.00 0.00 H new ATOM 0 HG SER A 95 4.540 6.994 -5.857 1.00 0.00 H new ATOM 1394 N ASP A 96 8.966 6.797 -6.097 1.00 0.00 N ATOM 1395 CA ASP A 96 10.327 7.153 -5.733 1.00 0.00 C ATOM 1396 C ASP A 96 10.391 7.436 -4.231 1.00 0.00 C ATOM 1397 O ASP A 96 9.384 7.787 -3.618 1.00 0.00 O ATOM 1398 CB ASP A 96 10.783 8.413 -6.472 1.00 0.00 C ATOM 1399 CG ASP A 96 9.733 9.522 -6.567 1.00 0.00 C ATOM 1400 OD1 ASP A 96 8.947 9.644 -5.603 1.00 0.00 O ATOM 1401 OD2 ASP A 96 9.740 10.223 -7.602 1.00 0.00 O ATOM 0 H ASP A 96 8.330 7.589 -6.196 1.00 0.00 H new ATOM 0 HA ASP A 96 10.977 6.321 -6.004 1.00 0.00 H new ATOM 0 HB2 ASP A 96 11.665 8.811 -5.971 1.00 0.00 H new ATOM 0 HB3 ASP A 96 11.088 8.134 -7.481 1.00 0.00 H new ATOM 1406 N VAL A 97 11.586 7.273 -3.681 1.00 0.00 N ATOM 1407 CA VAL A 97 11.795 7.507 -2.263 1.00 0.00 C ATOM 1408 C VAL A 97 11.091 8.802 -1.854 1.00 0.00 C ATOM 1409 O VAL A 97 10.374 8.835 -0.856 1.00 0.00 O ATOM 1410 CB VAL A 97 13.292 7.515 -1.949 1.00 0.00 C ATOM 1411 CG1 VAL A 97 13.900 6.124 -2.137 1.00 0.00 C ATOM 1412 CG2 VAL A 97 14.025 8.554 -2.800 1.00 0.00 C ATOM 0 H VAL A 97 12.419 6.982 -4.193 1.00 0.00 H new ATOM 0 HA VAL A 97 11.358 6.700 -1.675 1.00 0.00 H new ATOM 0 HB VAL A 97 13.413 7.794 -0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 97 14.965 6.158 -1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 97 13.407 5.418 -1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 97 13.762 5.803 -3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 97 15.087 8.539 -2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 97 13.891 8.320 -3.856 1.00 0.00 H new ATOM 0 HG23 VAL A 97 13.620 9.545 -2.594 1.00 0.00 H new ATOM 1422 N GLU A 98 11.321 9.838 -2.647 1.00 0.00 N ATOM 1423 CA GLU A 98 10.718 11.133 -2.381 1.00 0.00 C ATOM 1424 C GLU A 98 9.270 10.959 -1.917 1.00 0.00 C ATOM 1425 O GLU A 98 8.923 11.336 -0.799 1.00 0.00 O ATOM 1426 CB GLU A 98 10.793 12.037 -3.613 1.00 0.00 C ATOM 1427 CG GLU A 98 12.246 12.370 -3.960 1.00 0.00 C ATOM 1428 CD GLU A 98 12.370 12.837 -5.412 1.00 0.00 C ATOM 1429 OE1 GLU A 98 11.546 13.690 -5.806 1.00 0.00 O ATOM 1430 OE2 GLU A 98 13.285 12.329 -6.095 1.00 0.00 O ATOM 0 H GLU A 98 11.917 9.807 -3.474 1.00 0.00 H new ATOM 0 HA GLU A 98 11.280 11.616 -1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.317 11.544 -4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.239 12.957 -3.428 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.614 13.148 -3.291 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.872 11.492 -3.802 1.00 0.00 H new ATOM 1437 N THR A 99 8.464 10.387 -2.799 1.00 0.00 N ATOM 1438 CA THR A 99 7.062 10.158 -2.494 1.00 0.00 C ATOM 1439 C THR A 99 6.901 9.685 -1.048 1.00 0.00 C ATOM 1440 O THR A 99 6.056 10.195 -0.315 1.00 0.00 O ATOM 1441 CB THR A 99 6.510 9.169 -3.522 1.00 0.00 C ATOM 1442 OG1 THR A 99 6.002 9.998 -4.564 1.00 0.00 O ATOM 1443 CG2 THR A 99 5.279 8.418 -3.010 1.00 0.00 C ATOM 0 H THR A 99 8.755 10.075 -3.725 1.00 0.00 H new ATOM 0 HA THR A 99 6.486 11.080 -2.567 1.00 0.00 H new ATOM 0 HB THR A 99 7.287 8.453 -3.790 1.00 0.00 H new ATOM 0 HG1 THR A 99 6.695 10.131 -5.244 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.927 7.729 -3.778 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.542 7.857 -2.113 1.00 0.00 H new ATOM 0 HG23 THR A 99 4.490 9.132 -2.774 1.00 0.00 H new ATOM 1451 N ALA A 100 7.725 8.714 -0.682 1.00 0.00 N ATOM 1452 CA ALA A 100 7.685 8.166 0.663 1.00 0.00 C ATOM 1453 C ALA A 100 8.156 9.230 1.657 1.00 0.00 C ATOM 1454 O ALA A 100 7.543 9.418 2.707 1.00 0.00 O ATOM 1455 CB ALA A 100 8.536 6.896 0.723 1.00 0.00 C ATOM 0 H ALA A 100 8.424 8.293 -1.294 1.00 0.00 H new ATOM 0 HA ALA A 100 6.666 7.889 0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.506 6.485 1.732 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.143 6.161 0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.566 7.136 0.459 1.00 0.00 H new ATOM 1461 N LYS A 101 9.239 9.899 1.290 1.00 0.00 N ATOM 1462 CA LYS A 101 9.798 10.939 2.136 1.00 0.00 C ATOM 1463 C LYS A 101 8.675 11.863 2.612 1.00 0.00 C ATOM 1464 O LYS A 101 8.478 12.039 3.814 1.00 0.00 O ATOM 1465 CB LYS A 101 10.929 11.671 1.410 1.00 0.00 C ATOM 1466 CG LYS A 101 12.110 10.733 1.150 1.00 0.00 C ATOM 1467 CD LYS A 101 13.411 11.522 0.987 1.00 0.00 C ATOM 1468 CE LYS A 101 13.595 11.983 -0.460 1.00 0.00 C ATOM 1469 NZ LYS A 101 14.965 12.501 -0.669 1.00 0.00 N ATOM 0 H LYS A 101 9.744 9.741 0.418 1.00 0.00 H new ATOM 0 HA LYS A 101 10.251 10.502 3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.561 12.069 0.464 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.259 12.521 2.007 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.209 10.029 1.976 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.922 10.146 0.251 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.401 12.387 1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 101 14.256 10.902 1.285 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.407 11.152 -1.139 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.867 12.759 -0.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.073 12.810 -1.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.132 13.308 -0.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.655 11.750 -0.464 1.00 0.00 H new ATOM 1483 N LYS A 102 7.968 12.428 1.645 1.00 0.00 N ATOM 1484 CA LYS A 102 6.869 13.329 1.950 1.00 0.00 C ATOM 1485 C LYS A 102 5.843 12.599 2.819 1.00 0.00 C ATOM 1486 O LYS A 102 5.228 13.201 3.698 1.00 0.00 O ATOM 1487 CB LYS A 102 6.282 13.913 0.664 1.00 0.00 C ATOM 1488 CG LYS A 102 7.303 14.798 -0.053 1.00 0.00 C ATOM 1489 CD LYS A 102 7.226 14.607 -1.569 1.00 0.00 C ATOM 1490 CE LYS A 102 8.401 15.294 -2.269 1.00 0.00 C ATOM 1491 NZ LYS A 102 7.994 15.781 -3.606 1.00 0.00 N ATOM 0 H LYS A 102 8.134 12.280 0.650 1.00 0.00 H new ATOM 0 HA LYS A 102 7.225 14.183 2.526 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.969 13.105 0.003 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.391 14.496 0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.121 15.844 0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.307 14.558 0.297 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.229 13.543 -1.806 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.287 15.014 -1.943 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.755 16.128 -1.664 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.232 14.596 -2.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 8.803 16.245 -4.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 7.678 14.978 -4.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 7.215 16.463 -3.505 1.00 0.00 H new ATOM 1505 N ILE A 103 5.690 11.312 2.543 1.00 0.00 N ATOM 1506 CA ILE A 103 4.749 10.494 3.288 1.00 0.00 C ATOM 1507 C ILE A 103 5.229 10.360 4.735 1.00 0.00 C ATOM 1508 O ILE A 103 4.425 10.388 5.665 1.00 0.00 O ATOM 1509 CB ILE A 103 4.532 9.152 2.586 1.00 0.00 C ATOM 1510 CG1 ILE A 103 3.674 9.322 1.331 1.00 0.00 C ATOM 1511 CG2 ILE A 103 3.942 8.118 3.548 1.00 0.00 C ATOM 1512 CD1 ILE A 103 2.197 9.069 1.638 1.00 0.00 C ATOM 0 H ILE A 103 6.202 10.816 1.814 1.00 0.00 H new ATOM 0 HA ILE A 103 3.771 10.973 3.319 1.00 0.00 H new ATOM 0 HB ILE A 103 5.503 8.775 2.264 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.799 10.330 0.934 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.012 8.631 0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.798 7.174 3.023 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.625 7.968 4.384 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.983 8.475 3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.609 9.196 0.729 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.072 8.053 2.011 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.856 9.777 2.393 1.00 0.00 H new ATOM 1524 N HIS A 104 6.539 10.219 4.879 1.00 0.00 N ATOM 1525 CA HIS A 104 7.136 10.081 6.196 1.00 0.00 C ATOM 1526 C HIS A 104 6.384 9.013 6.992 1.00 0.00 C ATOM 1527 O HIS A 104 5.482 8.362 6.466 1.00 0.00 O ATOM 1528 CB HIS A 104 7.184 11.431 6.915 1.00 0.00 C ATOM 1529 CG HIS A 104 6.195 11.559 8.048 1.00 0.00 C ATOM 1530 ND1 HIS A 104 4.854 11.808 8.036 1.00 0.00 N flip ATOM 1531 CD2 HIS A 104 6.556 11.429 9.377 1.00 0.00 C flip ATOM 1532 CE1 HIS A 104 4.419 11.828 9.290 1.00 0.00 C flip ATOM 1533 NE2 HIS A 104 5.473 11.594 10.123 1.00 0.00 N flip ATOM 0 H HIS A 104 7.203 10.197 4.105 1.00 0.00 H new ATOM 0 HA HIS A 104 8.170 9.750 6.097 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.190 11.588 7.305 1.00 0.00 H new ATOM 0 HB3 HIS A 104 6.996 12.224 6.191 1.00 0.00 H new ATOM 0 HD1 HIS A 104 4.282 11.954 7.204 1.00 0.00 H new ATOM 0 HD2 HIS A 104 7.551 11.227 9.744 1.00 0.00 H new ATOM 0 HE1 HIS A 104 3.399 12.001 9.599 1.00 0.00 H new