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 65 ASN :FLIP amide:sc= -1.88 F(o=-9.3!,f=-5.6) USER MOD Set 1.2: A 88 MET CE :methyl -126:sc= -3.74! (180deg=-5.15!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.418 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -160:sc= -0.434 (180deg=-1.47!) USER MOD Single : A 29 MET CE :methyl -162:sc= -0.119 (180deg=-0.976) USER MOD Single : A 30 HIS : no HD1:sc= -0.467 X(o=-0.47,f=-0.22) USER MOD Single : A 31 THR OG1 : rot 44:sc= -0.598 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 39 TYR OH : rot -22:sc= 0.0157 USER MOD Single : A 41 GLN : amide:sc= -1.37 X(o=-1.4,f=-1.3) USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 47 SER OG : rot 161:sc= -3.99! USER MOD Single : A 56 SER OG : rot 57:sc= 1.16 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= -0.288 X(o=-0.29,f=-0.032) 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 94 LYS NZ :NH3+ 135:sc= 0.236 (180deg=0) USER MOD Single : A 95 SER OG : rot -172:sc= 0.404 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0419) USER MOD Single : A 104 HIS : no HD1:sc= -0.648 X(o=-0.65,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 8.681 4.172 -14.659 1.00 0.00 N ATOM 60 CA GLY A 7 8.384 3.224 -13.599 1.00 0.00 C ATOM 61 C GLY A 7 7.284 2.250 -14.027 1.00 0.00 C ATOM 62 O GLY A 7 6.548 2.517 -14.975 1.00 0.00 O ATOM 0 HA2 GLY A 7 9.285 2.669 -13.340 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.071 3.761 -12.703 1.00 0.00 H new ATOM 66 N TYR A 8 7.208 1.140 -13.307 1.00 0.00 N ATOM 67 CA TYR A 8 6.211 0.124 -13.601 1.00 0.00 C ATOM 68 C TYR A 8 5.296 -0.109 -12.397 1.00 0.00 C ATOM 69 O TYR A 8 5.668 0.188 -11.263 1.00 0.00 O ATOM 70 CB TYR A 8 6.990 -1.160 -13.890 1.00 0.00 C ATOM 71 CG TYR A 8 8.053 -1.494 -12.841 1.00 0.00 C ATOM 72 CD1 TYR A 8 7.675 -1.801 -11.550 1.00 0.00 C ATOM 73 CD2 TYR A 8 9.389 -1.488 -13.187 1.00 0.00 C ATOM 74 CE1 TYR A 8 8.675 -2.114 -10.563 1.00 0.00 C ATOM 75 CE2 TYR A 8 10.389 -1.802 -12.199 1.00 0.00 C ATOM 76 CZ TYR A 8 9.983 -2.100 -10.936 1.00 0.00 C ATOM 77 OH TYR A 8 10.927 -2.396 -10.004 1.00 0.00 O ATOM 0 H TYR A 8 7.820 0.922 -12.521 1.00 0.00 H new ATOM 0 HA TYR A 8 5.585 0.431 -14.439 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.288 -1.991 -13.958 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.471 -1.069 -14.864 1.00 0.00 H new ATOM 0 HD1 TYR A 8 6.629 -1.806 -11.280 1.00 0.00 H new ATOM 0 HD2 TYR A 8 9.684 -1.248 -14.198 1.00 0.00 H new ATOM 0 HE1 TYR A 8 8.393 -2.355 -9.549 1.00 0.00 H new ATOM 0 HE2 TYR A 8 11.438 -1.801 -12.456 1.00 0.00 H new ATOM 0 HH TYR A 8 11.816 -2.348 -10.413 1.00 0.00 H new ATOM 87 N VAL A 9 4.116 -0.638 -12.686 1.00 0.00 N ATOM 88 CA VAL A 9 3.144 -0.915 -11.641 1.00 0.00 C ATOM 89 C VAL A 9 3.158 -2.411 -11.321 1.00 0.00 C ATOM 90 O VAL A 9 3.636 -3.216 -12.119 1.00 0.00 O ATOM 91 CB VAL A 9 1.764 -0.406 -12.063 1.00 0.00 C ATOM 92 CG1 VAL A 9 0.773 -0.483 -10.899 1.00 0.00 C ATOM 93 CG2 VAL A 9 1.850 1.017 -12.617 1.00 0.00 C ATOM 0 H VAL A 9 3.811 -0.882 -13.628 1.00 0.00 H new ATOM 0 HA VAL A 9 3.405 -0.385 -10.725 1.00 0.00 H new ATOM 0 HB VAL A 9 1.397 -1.053 -12.860 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.200 -0.116 -11.225 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.678 -1.518 -10.569 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.134 0.129 -10.073 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.856 1.354 -12.909 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.248 1.682 -11.851 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.508 1.030 -13.486 1.00 0.00 H new ATOM 103 N PHE A 10 2.628 -2.738 -10.151 1.00 0.00 N ATOM 104 CA PHE A 10 2.573 -4.123 -9.716 1.00 0.00 C ATOM 105 C PHE A 10 1.347 -4.373 -8.836 1.00 0.00 C ATOM 106 O PHE A 10 1.029 -3.567 -7.963 1.00 0.00 O ATOM 107 CB PHE A 10 3.837 -4.384 -8.894 1.00 0.00 C ATOM 108 CG PHE A 10 3.885 -3.622 -7.568 1.00 0.00 C ATOM 109 CD1 PHE A 10 3.352 -4.175 -6.446 1.00 0.00 C ATOM 110 CD2 PHE A 10 4.462 -2.391 -7.511 1.00 0.00 C ATOM 111 CE1 PHE A 10 3.396 -3.468 -5.215 1.00 0.00 C ATOM 112 CE2 PHE A 10 4.506 -1.684 -6.280 1.00 0.00 C ATOM 113 CZ PHE A 10 3.973 -2.238 -5.159 1.00 0.00 C ATOM 0 H PHE A 10 2.233 -2.068 -9.491 1.00 0.00 H new ATOM 0 HA PHE A 10 2.507 -4.782 -10.581 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.912 -5.452 -8.690 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.708 -4.112 -9.490 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.895 -5.152 -6.491 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.886 -1.952 -8.402 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.972 -3.907 -4.324 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.963 -0.706 -6.235 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.008 -1.701 -4.223 1.00 0.00 H new ATOM 123 N THR A 11 0.690 -5.494 -9.097 1.00 0.00 N ATOM 124 CA THR A 11 -0.495 -5.861 -8.340 1.00 0.00 C ATOM 125 C THR A 11 -0.099 -6.512 -7.013 1.00 0.00 C ATOM 126 O THR A 11 0.973 -7.105 -6.904 1.00 0.00 O ATOM 127 CB THR A 11 -1.361 -6.760 -9.224 1.00 0.00 C ATOM 128 OG1 THR A 11 -1.723 -5.924 -10.320 1.00 0.00 O ATOM 129 CG2 THR A 11 -2.697 -7.113 -8.568 1.00 0.00 C ATOM 0 H THR A 11 0.956 -6.160 -9.822 1.00 0.00 H new ATOM 0 HA THR A 11 -1.082 -4.982 -8.072 1.00 0.00 H new ATOM 0 HB THR A 11 -0.816 -7.676 -9.455 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.285 -6.428 -10.945 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.273 -7.752 -9.237 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.514 -7.639 -7.631 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.257 -6.199 -8.368 1.00 0.00 H new ATOM 137 N VAL A 12 -0.987 -6.380 -6.038 1.00 0.00 N ATOM 138 CA VAL A 12 -0.744 -6.948 -4.723 1.00 0.00 C ATOM 139 C VAL A 12 -1.975 -7.740 -4.279 1.00 0.00 C ATOM 140 O VAL A 12 -3.024 -7.161 -4.000 1.00 0.00 O ATOM 141 CB VAL A 12 -0.358 -5.842 -3.738 1.00 0.00 C ATOM 142 CG1 VAL A 12 0.671 -6.346 -2.724 1.00 0.00 C ATOM 143 CG2 VAL A 12 0.159 -4.606 -4.477 1.00 0.00 C ATOM 0 H VAL A 12 -1.875 -5.888 -6.133 1.00 0.00 H new ATOM 0 HA VAL A 12 0.095 -7.643 -4.757 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.255 -5.553 -3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.928 -5.541 -2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.251 -7.182 -2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.568 -6.675 -3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.426 -3.835 -3.754 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.038 -4.874 -5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.618 -4.227 -5.141 1.00 0.00 H new ATOM 153 N GLU A 13 -1.807 -9.054 -4.228 1.00 0.00 N ATOM 154 CA GLU A 13 -2.892 -9.932 -3.824 1.00 0.00 C ATOM 155 C GLU A 13 -2.692 -10.391 -2.378 1.00 0.00 C ATOM 156 O GLU A 13 -1.788 -11.175 -2.092 1.00 0.00 O ATOM 157 CB GLU A 13 -3.010 -11.129 -4.769 1.00 0.00 C ATOM 158 CG GLU A 13 -3.778 -10.753 -6.037 1.00 0.00 C ATOM 159 CD GLU A 13 -3.614 -11.826 -7.116 1.00 0.00 C ATOM 160 OE1 GLU A 13 -4.266 -12.882 -6.969 1.00 0.00 O ATOM 161 OE2 GLU A 13 -2.840 -11.566 -8.062 1.00 0.00 O ATOM 0 H GLU A 13 -0.936 -9.531 -4.460 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.826 -9.374 -3.881 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.015 -11.486 -5.035 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.518 -11.949 -4.261 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.835 -10.627 -5.802 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.419 -9.795 -6.414 1.00 0.00 H new ATOM 168 N LEU A 14 -3.549 -9.884 -1.505 1.00 0.00 N ATOM 169 CA LEU A 14 -3.478 -10.232 -0.096 1.00 0.00 C ATOM 170 C LEU A 14 -4.811 -10.840 0.342 1.00 0.00 C ATOM 171 O LEU A 14 -5.790 -10.801 -0.401 1.00 0.00 O ATOM 172 CB LEU A 14 -3.051 -9.020 0.734 1.00 0.00 C ATOM 173 CG LEU A 14 -1.778 -8.307 0.276 1.00 0.00 C ATOM 174 CD1 LEU A 14 -1.951 -6.788 0.328 1.00 0.00 C ATOM 175 CD2 LEU A 14 -0.566 -8.774 1.084 1.00 0.00 C ATOM 0 H LEU A 14 -4.297 -9.234 -1.746 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.712 -10.989 0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.868 -8.298 0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.912 -9.342 1.766 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.593 -8.574 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.031 -6.306 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.771 -6.493 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.174 -6.482 1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.326 -8.251 0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.727 -8.557 2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.432 -9.847 0.951 1.00 0.00 H new ATOM 187 N GLU A 15 -4.807 -11.388 1.549 1.00 0.00 N ATOM 188 CA GLU A 15 -6.004 -12.004 2.095 1.00 0.00 C ATOM 189 C GLU A 15 -6.424 -11.295 3.385 1.00 0.00 C ATOM 190 O GLU A 15 -5.581 -10.953 4.212 1.00 0.00 O ATOM 191 CB GLU A 15 -5.791 -13.499 2.336 1.00 0.00 C ATOM 192 CG GLU A 15 -6.857 -14.061 3.279 1.00 0.00 C ATOM 193 CD GLU A 15 -7.011 -15.572 3.095 1.00 0.00 C ATOM 194 OE1 GLU A 15 -6.001 -16.275 3.313 1.00 0.00 O ATOM 195 OE2 GLU A 15 -8.134 -15.990 2.741 1.00 0.00 O ATOM 0 H GLU A 15 -3.994 -11.418 2.164 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.808 -11.898 1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.824 -14.032 1.386 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.801 -13.665 2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.585 -13.843 4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.811 -13.569 3.090 1.00 0.00 H new ATOM 202 N ARG A 16 -7.727 -11.096 3.515 1.00 0.00 N ATOM 203 CA ARG A 16 -8.269 -10.434 4.690 1.00 0.00 C ATOM 204 C ARG A 16 -7.922 -11.225 5.952 1.00 0.00 C ATOM 205 O ARG A 16 -8.465 -12.305 6.182 1.00 0.00 O ATOM 206 CB ARG A 16 -9.789 -10.290 4.589 1.00 0.00 C ATOM 207 CG ARG A 16 -10.239 -8.897 5.035 1.00 0.00 C ATOM 208 CD ARG A 16 -11.691 -8.635 4.633 1.00 0.00 C ATOM 209 NE ARG A 16 -12.432 -8.042 5.770 1.00 0.00 N ATOM 210 CZ ARG A 16 -13.765 -7.917 5.814 1.00 0.00 C ATOM 211 NH1 ARG A 16 -14.513 -8.342 4.786 1.00 0.00 N ATOM 212 NH2 ARG A 16 -14.351 -7.366 6.886 1.00 0.00 N ATOM 0 H ARG A 16 -8.423 -11.381 2.827 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.824 -9.441 4.746 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.107 -10.467 3.562 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.271 -11.047 5.207 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.135 -8.806 6.116 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.592 -8.142 4.588 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.724 -7.962 3.776 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.166 -9.567 4.325 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.894 -7.708 6.569 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -14.067 -8.761 3.970 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -15.528 -8.247 4.820 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.782 -7.042 7.668 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.366 -7.271 6.920 1.00 0.00 H new ATOM 226 N GLY A 17 -7.019 -10.657 6.739 1.00 0.00 N ATOM 227 CA GLY A 17 -6.593 -11.296 7.972 1.00 0.00 C ATOM 228 C GLY A 17 -7.691 -11.223 9.035 1.00 0.00 C ATOM 229 O GLY A 17 -8.818 -10.825 8.743 1.00 0.00 O ATOM 0 H GLY A 17 -6.571 -9.761 6.546 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.339 -12.338 7.777 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.690 -10.812 8.343 1.00 0.00 H new ATOM 233 N PRO A 18 -7.315 -11.625 10.279 1.00 0.00 N ATOM 234 CA PRO A 18 -8.255 -11.609 11.386 1.00 0.00 C ATOM 235 C PRO A 18 -8.495 -10.182 11.882 1.00 0.00 C ATOM 236 O PRO A 18 -9.436 -9.932 12.634 1.00 0.00 O ATOM 237 CB PRO A 18 -7.633 -12.508 12.443 1.00 0.00 C ATOM 238 CG PRO A 18 -6.161 -12.621 12.080 1.00 0.00 C ATOM 239 CD PRO A 18 -5.990 -12.103 10.662 1.00 0.00 C ATOM 0 HA PRO A 18 -9.243 -11.972 11.103 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.758 -12.084 13.439 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.110 -13.488 12.452 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.551 -12.042 12.774 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.829 -13.657 12.151 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.253 -11.301 10.620 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.644 -12.890 9.992 1.00 0.00 H new ATOM 247 N SER A 19 -7.627 -9.283 11.441 1.00 0.00 N ATOM 248 CA SER A 19 -7.732 -7.887 11.831 1.00 0.00 C ATOM 249 C SER A 19 -8.257 -7.055 10.659 1.00 0.00 C ATOM 250 O SER A 19 -8.692 -5.919 10.844 1.00 0.00 O ATOM 251 CB SER A 19 -6.383 -7.344 12.305 1.00 0.00 C ATOM 252 OG SER A 19 -5.902 -8.038 13.452 1.00 0.00 O ATOM 0 H SER A 19 -6.848 -9.494 10.817 1.00 0.00 H new ATOM 0 HA SER A 19 -8.433 -7.816 12.662 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.655 -7.428 11.498 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.480 -6.283 12.537 1.00 0.00 H new ATOM 0 HG SER A 19 -5.038 -7.663 13.723 1.00 0.00 H new ATOM 258 N GLY A 20 -8.200 -7.653 9.478 1.00 0.00 N ATOM 259 CA GLY A 20 -8.664 -6.981 8.276 1.00 0.00 C ATOM 260 C GLY A 20 -7.499 -6.336 7.523 1.00 0.00 C ATOM 261 O GLY A 20 -7.538 -5.147 7.212 1.00 0.00 O ATOM 0 H GLY A 20 -7.840 -8.595 9.328 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.169 -7.697 7.627 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.397 -6.219 8.541 1.00 0.00 H new ATOM 265 N LEU A 21 -6.488 -7.149 7.253 1.00 0.00 N ATOM 266 CA LEU A 21 -5.314 -6.673 6.542 1.00 0.00 C ATOM 267 C LEU A 21 -4.386 -5.955 7.524 1.00 0.00 C ATOM 268 O LEU A 21 -4.203 -6.406 8.654 1.00 0.00 O ATOM 269 CB LEU A 21 -5.724 -5.815 5.344 1.00 0.00 C ATOM 270 CG LEU A 21 -6.944 -6.299 4.558 1.00 0.00 C ATOM 271 CD1 LEU A 21 -7.844 -5.126 4.166 1.00 0.00 C ATOM 272 CD2 LEU A 21 -6.520 -7.127 3.343 1.00 0.00 C ATOM 0 H LEU A 21 -6.458 -8.135 7.514 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.754 -7.511 6.127 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.923 -4.803 5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.877 -5.753 4.660 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.530 -6.952 5.205 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.704 -5.498 3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.188 -4.615 5.065 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.282 -4.428 3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.406 -7.459 2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.900 -6.517 2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.951 -7.996 3.675 1.00 0.00 H new ATOM 284 N GLY A 22 -3.824 -4.849 7.058 1.00 0.00 N ATOM 285 CA GLY A 22 -2.920 -4.064 7.881 1.00 0.00 C ATOM 286 C GLY A 22 -2.192 -3.010 7.044 1.00 0.00 C ATOM 287 O GLY A 22 -1.002 -3.147 6.765 1.00 0.00 O ATOM 0 H GLY A 22 -3.978 -4.478 6.120 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.480 -3.577 8.679 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.193 -4.721 8.357 1.00 0.00 H new ATOM 291 N MET A 23 -2.938 -1.982 6.666 1.00 0.00 N ATOM 292 CA MET A 23 -2.379 -0.905 5.867 1.00 0.00 C ATOM 293 C MET A 23 -2.957 0.447 6.288 1.00 0.00 C ATOM 294 O MET A 23 -4.171 0.640 6.273 1.00 0.00 O ATOM 295 CB MET A 23 -2.686 -1.154 4.389 1.00 0.00 C ATOM 296 CG MET A 23 -1.410 -1.477 3.610 1.00 0.00 C ATOM 297 SD MET A 23 -1.718 -1.357 1.856 1.00 0.00 S ATOM 298 CE MET A 23 -3.364 -2.043 1.783 1.00 0.00 C ATOM 0 H MET A 23 -3.925 -1.872 6.898 1.00 0.00 H new ATOM 0 HA MET A 23 -1.301 -0.883 6.025 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.392 -1.979 4.295 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.165 -0.274 3.960 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.615 -0.788 3.896 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.066 -2.481 3.859 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.576 -2.373 0.766 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.434 -2.893 2.462 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.088 -1.283 2.077 1.00 0.00 H new ATOM 308 N GLY A 24 -2.058 1.350 6.654 1.00 0.00 N ATOM 309 CA GLY A 24 -2.464 2.679 7.079 1.00 0.00 C ATOM 310 C GLY A 24 -2.323 3.687 5.936 1.00 0.00 C ATOM 311 O GLY A 24 -1.324 4.399 5.851 1.00 0.00 O ATOM 0 H GLY A 24 -1.051 1.187 6.665 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.498 2.655 7.422 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.855 2.996 7.925 1.00 0.00 H new ATOM 315 N LEU A 25 -3.339 3.714 5.086 1.00 0.00 N ATOM 316 CA LEU A 25 -3.341 4.622 3.952 1.00 0.00 C ATOM 317 C LEU A 25 -3.642 6.041 4.441 1.00 0.00 C ATOM 318 O LEU A 25 -4.268 6.222 5.484 1.00 0.00 O ATOM 319 CB LEU A 25 -4.304 4.127 2.871 1.00 0.00 C ATOM 320 CG LEU A 25 -4.138 2.668 2.442 1.00 0.00 C ATOM 321 CD1 LEU A 25 -2.659 2.296 2.323 1.00 0.00 C ATOM 322 CD2 LEU A 25 -4.891 1.730 3.388 1.00 0.00 C ATOM 0 H LEU A 25 -4.166 3.122 5.160 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.358 4.648 3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.324 4.266 3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.187 4.759 1.991 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.580 2.550 1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.569 1.254 2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.182 2.935 1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.170 2.434 3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.757 0.699 3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.501 1.843 4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.952 1.979 3.378 1.00 0.00 H new ATOM 334 N ILE A 26 -3.181 7.010 3.664 1.00 0.00 N ATOM 335 CA ILE A 26 -3.393 8.406 4.004 1.00 0.00 C ATOM 336 C ILE A 26 -3.478 9.233 2.720 1.00 0.00 C ATOM 337 O ILE A 26 -2.854 8.893 1.716 1.00 0.00 O ATOM 338 CB ILE A 26 -2.314 8.890 4.976 1.00 0.00 C ATOM 339 CG1 ILE A 26 -2.582 10.330 5.419 1.00 0.00 C ATOM 340 CG2 ILE A 26 -0.918 8.727 4.372 1.00 0.00 C ATOM 341 CD1 ILE A 26 -2.183 10.537 6.882 1.00 0.00 C ATOM 0 H ILE A 26 -2.661 6.856 2.800 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.341 8.530 4.527 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.353 8.265 5.868 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.024 11.019 4.785 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.639 10.563 5.290 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.171 9.078 5.083 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.739 7.675 4.147 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.848 9.311 3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.384 11.569 7.171 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.760 9.864 7.515 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.120 10.327 7.003 1.00 0.00 H new ATOM 353 N ASP A 27 -4.257 10.303 2.793 1.00 0.00 N ATOM 354 CA ASP A 27 -4.432 11.180 1.648 1.00 0.00 C ATOM 355 C ASP A 27 -3.148 11.980 1.422 1.00 0.00 C ATOM 356 O ASP A 27 -2.681 12.678 2.321 1.00 0.00 O ATOM 357 CB ASP A 27 -5.572 12.174 1.885 1.00 0.00 C ATOM 358 CG ASP A 27 -5.655 12.734 3.306 1.00 0.00 C ATOM 359 OD1 ASP A 27 -5.742 11.907 4.239 1.00 0.00 O ATOM 360 OD2 ASP A 27 -5.631 13.978 3.428 1.00 0.00 O ATOM 0 H ASP A 27 -4.774 10.582 3.627 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.666 10.561 0.782 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.460 13.005 1.189 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.516 11.684 1.648 1.00 0.00 H new ATOM 365 N GLY A 28 -2.612 11.851 0.217 1.00 0.00 N ATOM 366 CA GLY A 28 -1.391 12.552 -0.138 1.00 0.00 C ATOM 367 C GLY A 28 -1.464 14.024 0.275 1.00 0.00 C ATOM 368 O GLY A 28 -0.435 14.670 0.465 1.00 0.00 O ATOM 0 H GLY A 28 -3.002 11.271 -0.526 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.540 12.076 0.348 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.225 12.480 -1.213 1.00 0.00 H new ATOM 372 N MET A 29 -2.690 14.510 0.401 1.00 0.00 N ATOM 373 CA MET A 29 -2.910 15.893 0.788 1.00 0.00 C ATOM 374 C MET A 29 -2.552 16.114 2.259 1.00 0.00 C ATOM 375 O MET A 29 -2.116 17.200 2.638 1.00 0.00 O ATOM 376 CB MET A 29 -4.378 16.259 0.559 1.00 0.00 C ATOM 377 CG MET A 29 -4.794 15.977 -0.887 1.00 0.00 C ATOM 378 SD MET A 29 -5.202 17.506 -1.713 1.00 0.00 S ATOM 379 CE MET A 29 -3.918 17.541 -2.953 1.00 0.00 C ATOM 0 H MET A 29 -3.541 13.971 0.242 1.00 0.00 H new ATOM 0 HA MET A 29 -2.268 16.529 0.178 1.00 0.00 H new ATOM 0 HB2 MET A 29 -5.009 15.689 1.241 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.534 17.313 0.787 1.00 0.00 H new ATOM 0 HG2 MET A 29 -3.985 15.473 -1.415 1.00 0.00 H new ATOM 0 HG3 MET A 29 -5.652 15.305 -0.903 1.00 0.00 H new ATOM 0 HE1 MET A 29 -3.818 18.553 -3.345 1.00 0.00 H new ATOM 0 HE2 MET A 29 -2.973 17.230 -2.507 1.00 0.00 H new ATOM 0 HE3 MET A 29 -4.178 16.862 -3.765 1.00 0.00 H new ATOM 389 N HIS A 30 -2.751 15.068 3.047 1.00 0.00 N ATOM 390 CA HIS A 30 -2.455 15.135 4.468 1.00 0.00 C ATOM 391 C HIS A 30 -0.943 15.031 4.683 1.00 0.00 C ATOM 392 O HIS A 30 -0.397 15.653 5.592 1.00 0.00 O ATOM 393 CB HIS A 30 -3.237 14.069 5.237 1.00 0.00 C ATOM 394 CG HIS A 30 -4.319 14.626 6.131 1.00 0.00 C ATOM 395 ND1 HIS A 30 -4.934 13.878 7.120 1.00 0.00 N ATOM 396 CD2 HIS A 30 -4.888 15.865 6.176 1.00 0.00 C ATOM 397 CE1 HIS A 30 -5.832 14.642 7.725 1.00 0.00 C ATOM 398 NE2 HIS A 30 -5.801 15.873 7.139 1.00 0.00 N ATOM 0 H HIS A 30 -3.114 14.169 2.729 1.00 0.00 H new ATOM 0 HA HIS A 30 -2.779 16.097 4.865 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -3.689 13.379 4.524 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.541 13.490 5.844 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -4.638 16.698 5.536 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.475 14.342 8.539 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.384 16.669 7.398 1.00 0.00 H new ATOM 406 N THR A 31 -0.310 14.239 3.830 1.00 0.00 N ATOM 407 CA THR A 31 1.127 14.045 3.915 1.00 0.00 C ATOM 408 C THR A 31 1.862 15.199 3.229 1.00 0.00 C ATOM 409 O THR A 31 1.333 15.816 2.306 1.00 0.00 O ATOM 410 CB THR A 31 1.456 12.676 3.317 1.00 0.00 C ATOM 411 OG1 THR A 31 0.590 12.572 2.190 1.00 0.00 O ATOM 412 CG2 THR A 31 1.026 11.522 4.225 1.00 0.00 C ATOM 0 H THR A 31 -0.766 13.724 3.077 1.00 0.00 H new ATOM 0 HA THR A 31 1.466 14.054 4.951 1.00 0.00 H new ATOM 0 HB THR A 31 2.528 12.610 3.129 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.592 13.419 1.696 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.282 10.573 3.754 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.540 11.602 5.183 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.051 11.568 4.386 1.00 0.00 H new ATOM 420 N HIS A 32 3.071 15.457 3.709 1.00 0.00 N ATOM 421 CA HIS A 32 3.883 16.526 3.154 1.00 0.00 C ATOM 422 C HIS A 32 3.772 16.517 1.628 1.00 0.00 C ATOM 423 O HIS A 32 3.882 17.561 0.988 1.00 0.00 O ATOM 424 CB HIS A 32 5.329 16.418 3.643 1.00 0.00 C ATOM 425 CG HIS A 32 6.044 17.745 3.741 1.00 0.00 C ATOM 426 ND1 HIS A 32 6.255 18.396 4.944 1.00 0.00 N ATOM 427 CD2 HIS A 32 6.596 18.534 2.774 1.00 0.00 C ATOM 428 CE1 HIS A 32 6.904 19.525 4.700 1.00 0.00 C ATOM 429 NE2 HIS A 32 7.113 19.609 3.355 1.00 0.00 N ATOM 0 H HIS A 32 3.507 14.944 4.475 1.00 0.00 H new ATOM 0 HA HIS A 32 3.512 17.489 3.505 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.336 15.940 4.622 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.883 15.767 2.967 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.610 18.320 1.716 1.00 0.00 H new ATOM 0 HE1 HIS A 32 7.213 20.251 5.437 1.00 0.00 H new ATOM 0 HE2 HIS A 32 7.589 20.373 2.875 1.00 0.00 H new ATOM 437 N LEU A 33 3.554 15.326 1.090 1.00 0.00 N ATOM 438 CA LEU A 33 3.426 15.167 -0.349 1.00 0.00 C ATOM 439 C LEU A 33 2.601 16.325 -0.914 1.00 0.00 C ATOM 440 O LEU A 33 2.948 16.892 -1.949 1.00 0.00 O ATOM 441 CB LEU A 33 2.860 13.786 -0.687 1.00 0.00 C ATOM 442 CG LEU A 33 3.265 13.210 -2.046 1.00 0.00 C ATOM 443 CD1 LEU A 33 4.558 12.399 -1.934 1.00 0.00 C ATOM 444 CD2 LEU A 33 2.126 12.391 -2.655 1.00 0.00 C ATOM 0 H LEU A 33 3.463 14.462 1.624 1.00 0.00 H new ATOM 0 HA LEU A 33 4.405 15.210 -0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.172 13.087 0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.772 13.841 -0.648 1.00 0.00 H new ATOM 0 HG LEU A 33 3.463 14.040 -2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.824 12.001 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.361 13.042 -1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.412 11.576 -1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.440 11.993 -3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.873 11.567 -1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.252 13.028 -2.792 1.00 0.00 H new ATOM 456 N GLY A 34 1.524 16.641 -0.210 1.00 0.00 N ATOM 457 CA GLY A 34 0.646 17.721 -0.628 1.00 0.00 C ATOM 458 C GLY A 34 0.089 17.462 -2.029 1.00 0.00 C ATOM 459 O GLY A 34 -0.251 18.400 -2.749 1.00 0.00 O ATOM 0 H GLY A 34 1.239 16.168 0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.176 17.822 0.081 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.193 18.664 -0.619 1.00 0.00 H new ATOM 463 N ALA A 35 0.012 16.185 -2.375 1.00 0.00 N ATOM 464 CA ALA A 35 -0.499 15.792 -3.677 1.00 0.00 C ATOM 465 C ALA A 35 -1.724 14.895 -3.489 1.00 0.00 C ATOM 466 O ALA A 35 -1.861 14.232 -2.462 1.00 0.00 O ATOM 467 CB ALA A 35 0.611 15.104 -4.474 1.00 0.00 C ATOM 0 H ALA A 35 0.295 15.409 -1.776 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.815 16.666 -4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.228 14.809 -5.451 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.446 15.793 -4.604 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.951 14.220 -3.935 1.00 0.00 H new ATOM 473 N PRO A 36 -2.606 14.903 -4.524 1.00 0.00 N ATOM 474 CA PRO A 36 -3.815 14.098 -4.484 1.00 0.00 C ATOM 475 C PRO A 36 -3.498 12.620 -4.720 1.00 0.00 C ATOM 476 O PRO A 36 -2.694 12.285 -5.588 1.00 0.00 O ATOM 477 CB PRO A 36 -4.718 14.690 -5.554 1.00 0.00 C ATOM 478 CG PRO A 36 -3.809 15.499 -6.465 1.00 0.00 C ATOM 479 CD PRO A 36 -2.476 15.675 -5.757 1.00 0.00 C ATOM 0 HA PRO A 36 -4.304 14.123 -3.510 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.231 13.905 -6.110 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.488 15.321 -5.110 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -3.671 14.988 -7.418 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.255 16.469 -6.686 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.651 15.309 -6.369 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.275 16.726 -5.547 1.00 0.00 H new ATOM 487 N GLY A 37 -4.147 11.775 -3.932 1.00 0.00 N ATOM 488 CA GLY A 37 -3.944 10.341 -4.044 1.00 0.00 C ATOM 489 C GLY A 37 -3.623 9.724 -2.681 1.00 0.00 C ATOM 490 O GLY A 37 -3.133 10.410 -1.785 1.00 0.00 O ATOM 0 H GLY A 37 -4.814 12.056 -3.213 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.839 9.875 -4.457 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.130 10.139 -4.740 1.00 0.00 H new ATOM 494 N LEU A 38 -3.911 8.436 -2.568 1.00 0.00 N ATOM 495 CA LEU A 38 -3.659 7.719 -1.329 1.00 0.00 C ATOM 496 C LEU A 38 -2.288 7.044 -1.406 1.00 0.00 C ATOM 497 O LEU A 38 -1.894 6.550 -2.461 1.00 0.00 O ATOM 498 CB LEU A 38 -4.805 6.751 -1.028 1.00 0.00 C ATOM 499 CG LEU A 38 -6.026 7.354 -0.331 1.00 0.00 C ATOM 500 CD1 LEU A 38 -7.263 6.476 -0.535 1.00 0.00 C ATOM 501 CD2 LEU A 38 -5.742 7.608 1.151 1.00 0.00 C ATOM 0 H LEU A 38 -4.316 7.870 -3.314 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.628 8.411 -0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.132 6.303 -1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.418 5.943 -0.406 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.238 8.320 -0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.117 6.927 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.476 6.390 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.078 5.485 -0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.626 8.037 1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.490 6.667 1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.907 8.302 1.248 1.00 0.00 H new ATOM 513 N TYR A 39 -1.599 7.046 -0.274 1.00 0.00 N ATOM 514 CA TYR A 39 -0.280 6.440 -0.200 1.00 0.00 C ATOM 515 C TYR A 39 -0.082 5.721 1.136 1.00 0.00 C ATOM 516 O TYR A 39 -0.480 6.228 2.184 1.00 0.00 O ATOM 517 CB TYR A 39 0.720 7.594 -0.298 1.00 0.00 C ATOM 518 CG TYR A 39 0.564 8.447 -1.558 1.00 0.00 C ATOM 519 CD1 TYR A 39 -0.391 9.441 -1.605 1.00 0.00 C ATOM 520 CD2 TYR A 39 1.380 8.222 -2.649 1.00 0.00 C ATOM 521 CE1 TYR A 39 -0.538 10.244 -2.791 1.00 0.00 C ATOM 522 CE2 TYR A 39 1.234 9.025 -3.835 1.00 0.00 C ATOM 523 CZ TYR A 39 0.282 9.996 -3.848 1.00 0.00 C ATOM 524 OH TYR A 39 0.144 10.755 -4.968 1.00 0.00 O ATOM 0 H TYR A 39 -1.929 7.457 0.599 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.149 5.705 -0.994 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.608 8.234 0.577 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.731 7.188 -0.269 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.029 9.617 -0.752 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.128 7.444 -2.613 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.282 11.025 -2.840 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.866 8.860 -4.695 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.754 11.148 -4.989 1.00 0.00 H new ATOM 534 N ILE A 40 0.533 4.550 1.056 1.00 0.00 N ATOM 535 CA ILE A 40 0.789 3.756 2.245 1.00 0.00 C ATOM 536 C ILE A 40 1.540 4.608 3.270 1.00 0.00 C ATOM 537 O ILE A 40 2.485 5.315 2.922 1.00 0.00 O ATOM 538 CB ILE A 40 1.511 2.458 1.878 1.00 0.00 C ATOM 539 CG1 ILE A 40 0.717 1.664 0.838 1.00 0.00 C ATOM 540 CG2 ILE A 40 1.812 1.626 3.126 1.00 0.00 C ATOM 541 CD1 ILE A 40 1.157 0.200 0.813 1.00 0.00 C ATOM 0 H ILE A 40 0.862 4.132 0.185 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.149 3.452 2.708 1.00 0.00 H new ATOM 0 HB ILE A 40 2.468 2.716 1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.347 1.724 1.065 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.858 2.107 -0.148 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.325 0.709 2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.447 2.200 3.801 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.879 1.376 3.630 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.577 -0.341 0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.216 0.143 0.562 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.992 -0.246 1.794 1.00 0.00 H new ATOM 553 N GLN A 41 1.092 4.513 4.513 1.00 0.00 N ATOM 554 CA GLN A 41 1.710 5.266 5.591 1.00 0.00 C ATOM 555 C GLN A 41 2.322 4.315 6.621 1.00 0.00 C ATOM 556 O GLN A 41 3.408 4.571 7.140 1.00 0.00 O ATOM 557 CB GLN A 41 0.701 6.210 6.249 1.00 0.00 C ATOM 558 CG GLN A 41 1.412 7.363 6.960 1.00 0.00 C ATOM 559 CD GLN A 41 0.537 7.944 8.073 1.00 0.00 C ATOM 560 OE1 GLN A 41 -0.154 7.236 8.788 1.00 0.00 O ATOM 561 NE2 GLN A 41 0.605 9.268 8.179 1.00 0.00 N ATOM 0 H GLN A 41 0.308 3.926 4.798 1.00 0.00 H new ATOM 0 HA GLN A 41 2.509 5.876 5.169 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.023 6.607 5.494 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.093 5.657 6.964 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.354 7.010 7.380 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.656 8.144 6.240 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.204 9.800 7.548 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.058 9.751 8.892 1.00 0.00 H new ATOM 570 N THR A 42 1.600 3.236 6.886 1.00 0.00 N ATOM 571 CA THR A 42 2.059 2.245 7.844 1.00 0.00 C ATOM 572 C THR A 42 1.743 0.834 7.344 1.00 0.00 C ATOM 573 O THR A 42 0.981 0.664 6.394 1.00 0.00 O ATOM 574 CB THR A 42 1.422 2.566 9.198 1.00 0.00 C ATOM 575 OG1 THR A 42 0.143 3.096 8.863 1.00 0.00 O ATOM 576 CG2 THR A 42 2.126 3.718 9.917 1.00 0.00 C ATOM 0 H THR A 42 0.700 3.026 6.454 1.00 0.00 H new ATOM 0 HA THR A 42 3.142 2.280 7.961 1.00 0.00 H new ATOM 0 HB THR A 42 1.443 1.677 9.829 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.339 3.330 9.683 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.635 3.905 10.872 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.169 3.455 10.091 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.076 4.616 9.301 1.00 0.00 H new ATOM 584 N LEU A 43 2.346 -0.143 8.006 1.00 0.00 N ATOM 585 CA LEU A 43 2.139 -1.534 7.641 1.00 0.00 C ATOM 586 C LEU A 43 2.153 -2.396 8.905 1.00 0.00 C ATOM 587 O LEU A 43 3.216 -2.684 9.452 1.00 0.00 O ATOM 588 CB LEU A 43 3.161 -1.969 6.588 1.00 0.00 C ATOM 589 CG LEU A 43 2.707 -1.869 5.131 1.00 0.00 C ATOM 590 CD1 LEU A 43 3.782 -2.405 4.184 1.00 0.00 C ATOM 591 CD2 LEU A 43 1.362 -2.570 4.927 1.00 0.00 C ATOM 0 H LEU A 43 2.978 0.002 8.793 1.00 0.00 H new ATOM 0 HA LEU A 43 1.162 -1.665 7.177 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.059 -1.363 6.710 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.443 -3.002 6.790 1.00 0.00 H new ATOM 0 HG LEU A 43 2.561 -0.816 4.890 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.434 -2.322 3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.696 -1.824 4.306 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.983 -3.451 4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.062 -2.484 3.883 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.457 -3.623 5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.608 -2.103 5.561 1.00 0.00 H new ATOM 603 N LEU A 44 0.960 -2.784 9.331 1.00 0.00 N ATOM 604 CA LEU A 44 0.821 -3.607 10.520 1.00 0.00 C ATOM 605 C LEU A 44 1.833 -4.753 10.462 1.00 0.00 C ATOM 606 O LEU A 44 2.236 -5.176 9.380 1.00 0.00 O ATOM 607 CB LEU A 44 -0.627 -4.073 10.683 1.00 0.00 C ATOM 608 CG LEU A 44 -1.324 -3.655 11.980 1.00 0.00 C ATOM 609 CD1 LEU A 44 -2.561 -2.803 11.687 1.00 0.00 C ATOM 610 CD2 LEU A 44 -1.658 -4.874 12.841 1.00 0.00 C ATOM 0 H LEU A 44 0.081 -2.543 8.874 1.00 0.00 H new ATOM 0 HA LEU A 44 1.047 -3.026 11.414 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.207 -3.692 9.843 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.647 -5.161 10.617 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.635 -3.036 12.554 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.038 -2.519 12.625 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.264 -1.905 11.145 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.263 -3.377 11.082 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.152 -4.549 13.756 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.320 -5.540 12.288 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.739 -5.404 13.094 1.00 0.00 H new ATOM 622 N PRO A 45 2.224 -5.236 11.672 1.00 0.00 N ATOM 623 CA PRO A 45 3.181 -6.325 11.769 1.00 0.00 C ATOM 624 C PRO A 45 2.530 -7.661 11.408 1.00 0.00 C ATOM 625 O PRO A 45 2.888 -8.281 10.407 1.00 0.00 O ATOM 626 CB PRO A 45 3.686 -6.278 13.202 1.00 0.00 C ATOM 627 CG PRO A 45 2.660 -5.469 13.979 1.00 0.00 C ATOM 628 CD PRO A 45 1.768 -4.759 12.974 1.00 0.00 C ATOM 0 HA PRO A 45 4.008 -6.223 11.066 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.785 -7.282 13.614 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.671 -5.813 13.254 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.068 -6.120 14.622 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.155 -4.746 14.627 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.717 -4.999 13.138 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.864 -3.676 13.055 1.00 0.00 H new ATOM 636 N GLY A 46 1.584 -8.067 12.243 1.00 0.00 N ATOM 637 CA GLY A 46 0.879 -9.318 12.025 1.00 0.00 C ATOM 638 C GLY A 46 -0.240 -9.145 10.996 1.00 0.00 C ATOM 639 O GLY A 46 -1.378 -9.546 11.238 1.00 0.00 O ATOM 0 H GLY A 46 1.290 -7.551 13.072 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.579 -10.079 11.681 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.460 -9.672 12.967 1.00 0.00 H new ATOM 643 N SER A 47 0.121 -8.547 9.870 1.00 0.00 N ATOM 644 CA SER A 47 -0.838 -8.315 8.804 1.00 0.00 C ATOM 645 C SER A 47 -0.342 -8.955 7.506 1.00 0.00 C ATOM 646 O SER A 47 0.845 -9.248 7.368 1.00 0.00 O ATOM 647 CB SER A 47 -1.084 -6.819 8.599 1.00 0.00 C ATOM 648 OG SER A 47 0.108 -6.055 8.765 1.00 0.00 O ATOM 0 H SER A 47 1.065 -8.216 9.673 1.00 0.00 H new ATOM 0 HA SER A 47 -1.784 -8.774 9.090 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.486 -6.651 7.600 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.837 -6.475 9.308 1.00 0.00 H new ATOM 0 HG SER A 47 -0.004 -5.178 8.342 1.00 0.00 H new ATOM 654 N PRO A 48 -1.300 -9.157 6.562 1.00 0.00 N ATOM 655 CA PRO A 48 -0.972 -9.756 5.279 1.00 0.00 C ATOM 656 C PRO A 48 -0.245 -8.756 4.377 1.00 0.00 C ATOM 657 O PRO A 48 0.664 -9.129 3.637 1.00 0.00 O ATOM 658 CB PRO A 48 -2.304 -10.213 4.707 1.00 0.00 C ATOM 659 CG PRO A 48 -3.371 -9.443 5.468 1.00 0.00 C ATOM 660 CD PRO A 48 -2.715 -8.822 6.690 1.00 0.00 C ATOM 0 HA PRO A 48 -0.283 -10.596 5.370 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.361 -10.007 3.638 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.434 -11.288 4.832 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.808 -8.670 4.836 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.182 -10.108 5.766 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.866 -7.743 6.715 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -3.135 -9.224 7.612 1.00 0.00 H new ATOM 668 N ALA A 49 -0.674 -7.506 4.468 1.00 0.00 N ATOM 669 CA ALA A 49 -0.075 -6.450 3.669 1.00 0.00 C ATOM 670 C ALA A 49 1.428 -6.394 3.949 1.00 0.00 C ATOM 671 O ALA A 49 2.216 -6.069 3.062 1.00 0.00 O ATOM 672 CB ALA A 49 -0.774 -5.122 3.971 1.00 0.00 C ATOM 0 H ALA A 49 -1.429 -7.201 5.082 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.205 -6.653 2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.325 -4.330 3.372 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.833 -5.205 3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.662 -4.884 5.029 1.00 0.00 H new ATOM 678 N ALA A 50 1.780 -6.718 5.184 1.00 0.00 N ATOM 679 CA ALA A 50 3.175 -6.709 5.592 1.00 0.00 C ATOM 680 C ALA A 50 3.819 -8.044 5.217 1.00 0.00 C ATOM 681 O ALA A 50 4.943 -8.077 4.718 1.00 0.00 O ATOM 682 CB ALA A 50 3.267 -6.417 7.091 1.00 0.00 C ATOM 0 H ALA A 50 1.123 -6.989 5.916 1.00 0.00 H new ATOM 0 HA ALA A 50 3.722 -5.922 5.073 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.313 -6.410 7.397 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.822 -5.444 7.300 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.732 -7.188 7.645 1.00 0.00 H new ATOM 688 N ALA A 51 3.081 -9.114 5.472 1.00 0.00 N ATOM 689 CA ALA A 51 3.566 -10.449 5.167 1.00 0.00 C ATOM 690 C ALA A 51 4.063 -10.489 3.721 1.00 0.00 C ATOM 691 O ALA A 51 5.059 -11.145 3.420 1.00 0.00 O ATOM 692 CB ALA A 51 2.457 -11.469 5.431 1.00 0.00 C ATOM 0 H ALA A 51 2.150 -9.083 5.887 1.00 0.00 H new ATOM 0 HA ALA A 51 4.406 -10.708 5.811 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.822 -12.470 5.202 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.161 -11.422 6.479 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.597 -11.243 4.800 1.00 0.00 H new ATOM 698 N ASP A 52 3.345 -9.779 2.863 1.00 0.00 N ATOM 699 CA ASP A 52 3.700 -9.725 1.455 1.00 0.00 C ATOM 700 C ASP A 52 5.151 -9.259 1.317 1.00 0.00 C ATOM 701 O ASP A 52 5.989 -9.980 0.779 1.00 0.00 O ATOM 702 CB ASP A 52 2.812 -8.733 0.701 1.00 0.00 C ATOM 703 CG ASP A 52 3.198 -8.502 -0.762 1.00 0.00 C ATOM 704 OD1 ASP A 52 4.268 -7.894 -0.977 1.00 0.00 O ATOM 705 OD2 ASP A 52 2.413 -8.939 -1.632 1.00 0.00 O ATOM 0 H ASP A 52 2.519 -9.236 3.116 1.00 0.00 H new ATOM 0 HA ASP A 52 3.566 -10.722 1.035 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.783 -9.089 0.738 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.837 -7.776 1.223 1.00 0.00 H new ATOM 710 N GLY A 53 5.403 -8.056 1.812 1.00 0.00 N ATOM 711 CA GLY A 53 6.738 -7.486 1.751 1.00 0.00 C ATOM 712 C GLY A 53 6.787 -6.308 0.775 1.00 0.00 C ATOM 713 O GLY A 53 7.214 -5.214 1.139 1.00 0.00 O ATOM 0 H GLY A 53 4.705 -7.460 2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.041 -7.153 2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.450 -8.251 1.440 1.00 0.00 H new ATOM 717 N ARG A 54 6.343 -6.573 -0.445 1.00 0.00 N ATOM 718 CA ARG A 54 6.330 -5.549 -1.475 1.00 0.00 C ATOM 719 C ARG A 54 5.750 -4.246 -0.922 1.00 0.00 C ATOM 720 O ARG A 54 6.439 -3.229 -0.867 1.00 0.00 O ATOM 721 CB ARG A 54 5.505 -5.994 -2.684 1.00 0.00 C ATOM 722 CG ARG A 54 6.157 -5.537 -3.991 1.00 0.00 C ATOM 723 CD ARG A 54 6.331 -4.017 -4.015 1.00 0.00 C ATOM 724 NE ARG A 54 6.830 -3.586 -5.340 1.00 0.00 N ATOM 725 CZ ARG A 54 8.120 -3.607 -5.700 1.00 0.00 C ATOM 726 NH1 ARG A 54 9.050 -4.037 -4.836 1.00 0.00 N ATOM 727 NH2 ARG A 54 8.482 -3.196 -6.923 1.00 0.00 N ATOM 0 H ARG A 54 5.990 -7.482 -0.743 1.00 0.00 H new ATOM 0 HA ARG A 54 7.360 -5.386 -1.792 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.407 -7.080 -2.682 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.498 -5.583 -2.613 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.128 -6.020 -4.105 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.544 -5.850 -4.836 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.380 -3.530 -3.799 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.030 -3.710 -3.237 1.00 0.00 H new ATOM 0 HE ARG A 54 6.149 -3.252 -6.022 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.775 -4.348 -3.904 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.032 -4.053 -5.110 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.775 -2.867 -7.580 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.465 -3.212 -7.196 1.00 0.00 H new ATOM 741 N LEU A 55 4.488 -4.319 -0.525 1.00 0.00 N ATOM 742 CA LEU A 55 3.807 -3.158 0.022 1.00 0.00 C ATOM 743 C LEU A 55 4.764 -2.397 0.941 1.00 0.00 C ATOM 744 O LEU A 55 5.145 -2.896 1.999 1.00 0.00 O ATOM 745 CB LEU A 55 2.502 -3.574 0.704 1.00 0.00 C ATOM 746 CG LEU A 55 1.220 -3.328 -0.094 1.00 0.00 C ATOM 747 CD1 LEU A 55 1.383 -3.780 -1.547 1.00 0.00 C ATOM 748 CD2 LEU A 55 0.017 -3.990 0.581 1.00 0.00 C ATOM 0 H LEU A 55 3.919 -5.164 -0.571 1.00 0.00 H new ATOM 0 HA LEU A 55 3.519 -2.474 -0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.561 -4.637 0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.424 -3.041 1.652 1.00 0.00 H new ATOM 0 HG LEU A 55 1.029 -2.255 -0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.457 -3.594 -2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.196 -3.223 -2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.612 -4.845 -1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.881 -3.799 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.184 -5.065 0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.111 -3.578 1.582 1.00 0.00 H new ATOM 760 N SER A 56 5.127 -1.199 0.504 1.00 0.00 N ATOM 761 CA SER A 56 6.033 -0.364 1.273 1.00 0.00 C ATOM 762 C SER A 56 5.332 0.936 1.675 1.00 0.00 C ATOM 763 O SER A 56 4.262 1.253 1.159 1.00 0.00 O ATOM 764 CB SER A 56 7.306 -0.059 0.482 1.00 0.00 C ATOM 765 OG SER A 56 7.895 -1.238 -0.059 1.00 0.00 O ATOM 0 H SER A 56 4.809 -0.787 -0.374 1.00 0.00 H new ATOM 0 HA SER A 56 6.319 -0.908 2.173 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.073 0.633 -0.327 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.025 0.440 1.131 1.00 0.00 H new ATOM 0 HG SER A 56 7.242 -1.700 -0.625 1.00 0.00 H new ATOM 771 N LEU A 57 5.966 1.653 2.591 1.00 0.00 N ATOM 772 CA LEU A 57 5.417 2.911 3.067 1.00 0.00 C ATOM 773 C LEU A 57 5.656 3.997 2.016 1.00 0.00 C ATOM 774 O LEU A 57 6.789 4.216 1.591 1.00 0.00 O ATOM 775 CB LEU A 57 5.983 3.255 4.446 1.00 0.00 C ATOM 776 CG LEU A 57 5.749 2.216 5.545 1.00 0.00 C ATOM 777 CD1 LEU A 57 5.927 2.836 6.933 1.00 0.00 C ATOM 778 CD2 LEU A 57 4.381 1.549 5.387 1.00 0.00 C ATOM 0 H LEU A 57 6.854 1.387 3.016 1.00 0.00 H new ATOM 0 HA LEU A 57 4.338 2.829 3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.057 3.414 4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.549 4.201 4.769 1.00 0.00 H new ATOM 0 HG LEU A 57 6.502 1.435 5.442 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.755 2.076 7.696 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.940 3.225 7.030 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.212 3.649 7.063 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.240 0.815 6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.598 2.305 5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.329 1.051 4.419 1.00 0.00 H new ATOM 790 N GLY A 58 4.570 4.649 1.628 1.00 0.00 N ATOM 791 CA GLY A 58 4.647 5.707 0.635 1.00 0.00 C ATOM 792 C GLY A 58 4.097 5.236 -0.713 1.00 0.00 C ATOM 793 O GLY A 58 3.858 6.046 -1.607 1.00 0.00 O ATOM 0 H GLY A 58 3.632 4.465 1.983 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.083 6.575 0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.683 6.026 0.518 1.00 0.00 H new ATOM 797 N ASP A 59 3.911 3.928 -0.815 1.00 0.00 N ATOM 798 CA ASP A 59 3.393 3.339 -2.038 1.00 0.00 C ATOM 799 C ASP A 59 2.011 3.926 -2.336 1.00 0.00 C ATOM 800 O ASP A 59 1.192 4.085 -1.432 1.00 0.00 O ATOM 801 CB ASP A 59 3.242 1.823 -1.899 1.00 0.00 C ATOM 802 CG ASP A 59 4.557 1.053 -1.757 1.00 0.00 C ATOM 803 OD1 ASP A 59 5.599 1.730 -1.621 1.00 0.00 O ATOM 804 OD2 ASP A 59 4.490 -0.194 -1.789 1.00 0.00 O ATOM 0 H ASP A 59 4.110 3.260 -0.071 1.00 0.00 H new ATOM 0 HA ASP A 59 4.096 3.559 -2.842 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.620 1.613 -1.029 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.709 1.444 -2.771 1.00 0.00 H new ATOM 809 N ARG A 60 1.795 4.232 -3.607 1.00 0.00 N ATOM 810 CA ARG A 60 0.527 4.797 -4.035 1.00 0.00 C ATOM 811 C ARG A 60 -0.358 3.711 -4.650 1.00 0.00 C ATOM 812 O ARG A 60 0.118 2.881 -5.423 1.00 0.00 O ATOM 813 CB ARG A 60 0.740 5.912 -5.061 1.00 0.00 C ATOM 814 CG ARG A 60 -0.588 6.573 -5.435 1.00 0.00 C ATOM 815 CD ARG A 60 -0.472 7.324 -6.764 1.00 0.00 C ATOM 816 NE ARG A 60 -1.414 8.466 -6.784 1.00 0.00 N ATOM 817 CZ ARG A 60 -1.315 9.505 -7.623 1.00 0.00 C ATOM 818 NH1 ARG A 60 -0.317 9.554 -8.516 1.00 0.00 N ATOM 819 NH2 ARG A 60 -2.216 10.497 -7.570 1.00 0.00 N ATOM 0 H ARG A 60 2.477 4.099 -4.354 1.00 0.00 H new ATOM 0 HA ARG A 60 0.037 5.215 -3.156 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.421 6.660 -4.655 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.212 5.504 -5.955 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.368 5.815 -5.509 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.889 7.264 -4.648 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.549 7.681 -6.901 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.688 6.649 -7.592 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.186 8.461 -6.118 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.368 8.799 -8.557 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.243 10.346 -9.155 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.976 10.460 -6.891 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.141 11.289 -8.209 1.00 0.00 H new ATOM 833 N ILE A 61 -1.631 3.751 -4.283 1.00 0.00 N ATOM 834 CA ILE A 61 -2.587 2.781 -4.788 1.00 0.00 C ATOM 835 C ILE A 61 -3.244 3.331 -6.055 1.00 0.00 C ATOM 836 O ILE A 61 -3.318 4.544 -6.244 1.00 0.00 O ATOM 837 CB ILE A 61 -3.585 2.393 -3.696 1.00 0.00 C ATOM 838 CG1 ILE A 61 -2.880 2.200 -2.351 1.00 0.00 C ATOM 839 CG2 ILE A 61 -4.391 1.158 -4.103 1.00 0.00 C ATOM 840 CD1 ILE A 61 -2.027 0.930 -2.357 1.00 0.00 C ATOM 0 H ILE A 61 -2.022 4.441 -3.641 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.081 1.857 -5.067 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.292 3.213 -3.574 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.251 3.064 -2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.620 2.141 -1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.093 0.904 -3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.941 1.369 -5.020 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.714 0.321 -4.271 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.537 0.816 -1.390 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.663 0.065 -2.545 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.272 1.002 -3.140 1.00 0.00 H new ATOM 852 N LEU A 62 -3.705 2.412 -6.891 1.00 0.00 N ATOM 853 CA LEU A 62 -4.354 2.790 -8.135 1.00 0.00 C ATOM 854 C LEU A 62 -5.742 2.149 -8.197 1.00 0.00 C ATOM 855 O LEU A 62 -6.716 2.803 -8.567 1.00 0.00 O ATOM 856 CB LEU A 62 -3.463 2.445 -9.330 1.00 0.00 C ATOM 857 CG LEU A 62 -2.033 2.986 -9.280 1.00 0.00 C ATOM 858 CD1 LEU A 62 -1.228 2.523 -10.495 1.00 0.00 C ATOM 859 CD2 LEU A 62 -2.028 4.509 -9.135 1.00 0.00 C ATOM 0 H LEU A 62 -3.642 1.407 -6.731 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.499 3.869 -8.176 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.417 1.360 -9.422 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.941 2.821 -10.235 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.544 2.577 -8.396 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.215 2.922 -10.434 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.189 1.434 -10.512 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.705 2.883 -11.406 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.999 4.868 -9.102 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.542 4.957 -9.986 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.540 4.788 -8.214 1.00 0.00 H new ATOM 871 N GLU A 63 -5.788 0.878 -7.828 1.00 0.00 N ATOM 872 CA GLU A 63 -7.040 0.141 -7.837 1.00 0.00 C ATOM 873 C GLU A 63 -7.166 -0.707 -6.570 1.00 0.00 C ATOM 874 O GLU A 63 -6.161 -1.118 -5.991 1.00 0.00 O ATOM 875 CB GLU A 63 -7.157 -0.727 -9.091 1.00 0.00 C ATOM 876 CG GLU A 63 -7.290 0.138 -10.346 1.00 0.00 C ATOM 877 CD GLU A 63 -7.229 -0.719 -11.612 1.00 0.00 C ATOM 878 OE1 GLU A 63 -7.508 -1.931 -11.491 1.00 0.00 O ATOM 879 OE2 GLU A 63 -6.906 -0.142 -12.673 1.00 0.00 O ATOM 0 H GLU A 63 -4.978 0.339 -7.521 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.861 0.858 -7.854 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.279 -1.367 -9.178 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.023 -1.383 -9.004 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.233 0.684 -10.317 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.492 0.880 -10.366 1.00 0.00 H new ATOM 886 N VAL A 64 -8.409 -0.945 -6.176 1.00 0.00 N ATOM 887 CA VAL A 64 -8.679 -1.737 -4.988 1.00 0.00 C ATOM 888 C VAL A 64 -9.745 -2.785 -5.311 1.00 0.00 C ATOM 889 O VAL A 64 -10.924 -2.457 -5.442 1.00 0.00 O ATOM 890 CB VAL A 64 -9.073 -0.821 -3.827 1.00 0.00 C ATOM 891 CG1 VAL A 64 -10.035 -1.530 -2.872 1.00 0.00 C ATOM 892 CG2 VAL A 64 -7.835 -0.316 -3.083 1.00 0.00 C ATOM 0 H VAL A 64 -9.240 -0.603 -6.659 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.783 -2.271 -4.673 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.590 0.044 -4.243 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.299 -0.857 -2.056 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.937 -1.818 -3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -9.555 -2.421 -2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.143 0.333 -2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.278 -1.164 -2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.201 0.244 -3.770 1.00 0.00 H new ATOM 902 N ASN A 65 -9.294 -4.025 -5.430 1.00 0.00 N ATOM 903 CA ASN A 65 -10.194 -5.124 -5.735 1.00 0.00 C ATOM 904 C ASN A 65 -10.810 -4.904 -7.119 1.00 0.00 C ATOM 905 O ASN A 65 -11.841 -5.490 -7.444 1.00 0.00 O ATOM 906 CB ASN A 65 -11.335 -5.200 -4.718 1.00 0.00 C ATOM 907 CG ASN A 65 -11.026 -6.224 -3.624 1.00 0.00 C ATOM 908 OD1 ASN A 65 -11.276 -5.792 -2.392 1.00 0.00 O flip ATOM 909 ND2 ASN A 65 -10.589 -7.334 -3.882 1.00 0.00 N flip ATOM 0 H ASN A 65 -8.316 -4.293 -5.321 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.619 -6.049 -5.703 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.493 -4.219 -4.269 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.261 -5.472 -5.225 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.419 -7.603 -4.851 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.394 -7.993 -3.128 1.00 0.00 H new ATOM 916 N GLY A 66 -10.151 -4.058 -7.897 1.00 0.00 N ATOM 917 CA GLY A 66 -10.620 -3.753 -9.238 1.00 0.00 C ATOM 918 C GLY A 66 -11.513 -2.511 -9.237 1.00 0.00 C ATOM 919 O GLY A 66 -12.559 -2.495 -9.884 1.00 0.00 O ATOM 0 H GLY A 66 -9.296 -3.574 -7.624 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.767 -3.592 -9.897 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.174 -4.603 -9.636 1.00 0.00 H new ATOM 923 N SER A 67 -11.069 -1.502 -8.504 1.00 0.00 N ATOM 924 CA SER A 67 -11.815 -0.259 -8.410 1.00 0.00 C ATOM 925 C SER A 67 -10.874 0.932 -8.601 1.00 0.00 C ATOM 926 O SER A 67 -10.012 1.188 -7.761 1.00 0.00 O ATOM 927 CB SER A 67 -12.541 -0.152 -7.068 1.00 0.00 C ATOM 928 OG SER A 67 -13.936 -0.418 -7.193 1.00 0.00 O ATOM 0 H SER A 67 -10.201 -1.520 -7.969 1.00 0.00 H new ATOM 0 HA SER A 67 -12.566 -0.251 -9.200 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.100 -0.854 -6.360 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.398 0.847 -6.657 1.00 0.00 H new ATOM 0 HG SER A 67 -14.364 -0.341 -6.315 1.00 0.00 H new ATOM 934 N SER A 68 -11.071 1.630 -9.710 1.00 0.00 N ATOM 935 CA SER A 68 -10.250 2.788 -10.022 1.00 0.00 C ATOM 936 C SER A 68 -10.324 3.804 -8.880 1.00 0.00 C ATOM 937 O SER A 68 -11.375 4.396 -8.639 1.00 0.00 O ATOM 938 CB SER A 68 -10.688 3.435 -11.337 1.00 0.00 C ATOM 939 OG SER A 68 -10.107 2.791 -12.468 1.00 0.00 O ATOM 0 H SER A 68 -11.787 1.416 -10.404 1.00 0.00 H new ATOM 0 HA SER A 68 -9.219 2.455 -10.138 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.774 3.396 -11.416 1.00 0.00 H new ATOM 0 HB3 SER A 68 -10.406 4.488 -11.335 1.00 0.00 H new ATOM 0 HG SER A 68 -10.412 3.232 -13.288 1.00 0.00 H new ATOM 945 N LEU A 69 -9.195 3.975 -8.209 1.00 0.00 N ATOM 946 CA LEU A 69 -9.119 4.909 -7.099 1.00 0.00 C ATOM 947 C LEU A 69 -8.651 6.271 -7.615 1.00 0.00 C ATOM 948 O LEU A 69 -7.673 6.825 -7.118 1.00 0.00 O ATOM 949 CB LEU A 69 -8.242 4.342 -5.980 1.00 0.00 C ATOM 950 CG LEU A 69 -8.791 4.485 -4.559 1.00 0.00 C ATOM 951 CD1 LEU A 69 -7.870 3.805 -3.545 1.00 0.00 C ATOM 952 CD2 LEU A 69 -9.040 5.954 -4.213 1.00 0.00 C ATOM 0 H LEU A 69 -8.325 3.483 -8.413 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.105 5.056 -6.657 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.074 3.283 -6.178 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.270 4.833 -6.024 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.754 3.976 -4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.283 3.921 -2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.787 2.744 -3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.882 4.264 -3.586 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.430 6.028 -3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.104 6.508 -4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.764 6.375 -4.911 1.00 0.00 H new ATOM 964 N LEU A 70 -9.373 6.772 -8.607 1.00 0.00 N ATOM 965 CA LEU A 70 -9.045 8.058 -9.196 1.00 0.00 C ATOM 966 C LEU A 70 -9.919 9.143 -8.563 1.00 0.00 C ATOM 967 O LEU A 70 -11.145 9.087 -8.651 1.00 0.00 O ATOM 968 CB LEU A 70 -9.155 7.993 -10.721 1.00 0.00 C ATOM 969 CG LEU A 70 -8.078 7.177 -11.437 1.00 0.00 C ATOM 970 CD1 LEU A 70 -8.306 7.174 -12.950 1.00 0.00 C ATOM 971 CD2 LEU A 70 -6.678 7.674 -11.069 1.00 0.00 C ATOM 0 H LEU A 70 -10.184 6.310 -9.017 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.008 8.319 -8.985 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.129 7.576 -10.978 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.131 9.011 -11.111 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.152 6.143 -11.099 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.526 6.587 -13.434 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.280 6.736 -13.170 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.275 8.197 -13.325 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.931 7.077 -11.592 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.575 8.719 -11.360 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.530 7.580 -9.993 1.00 0.00 H new ATOM 983 N GLY A 71 -9.254 10.103 -7.938 1.00 0.00 N ATOM 984 CA GLY A 71 -9.955 11.199 -7.289 1.00 0.00 C ATOM 985 C GLY A 71 -11.078 10.676 -6.391 1.00 0.00 C ATOM 986 O GLY A 71 -12.058 11.377 -6.145 1.00 0.00 O ATOM 0 H GLY A 71 -8.237 10.145 -7.867 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.252 11.784 -6.695 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.369 11.868 -8.043 1.00 0.00 H new ATOM 990 N LEU A 72 -10.896 9.449 -5.925 1.00 0.00 N ATOM 991 CA LEU A 72 -11.882 8.824 -5.059 1.00 0.00 C ATOM 992 C LEU A 72 -11.707 9.349 -3.633 1.00 0.00 C ATOM 993 O LEU A 72 -10.598 9.353 -3.100 1.00 0.00 O ATOM 994 CB LEU A 72 -11.801 7.300 -5.167 1.00 0.00 C ATOM 995 CG LEU A 72 -12.870 6.631 -6.033 1.00 0.00 C ATOM 996 CD1 LEU A 72 -12.832 5.110 -5.874 1.00 0.00 C ATOM 997 CD2 LEU A 72 -14.257 7.205 -5.733 1.00 0.00 C ATOM 0 H LEU A 72 -10.081 8.871 -6.131 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.890 9.090 -5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.821 7.035 -5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.861 6.881 -4.163 1.00 0.00 H new ATOM 0 HG LEU A 72 -12.650 6.851 -7.078 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -13.602 4.659 -6.500 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -11.854 4.737 -6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.013 4.849 -4.831 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -14.998 6.712 -6.362 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -14.501 7.037 -4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -14.260 8.275 -5.939 1.00 0.00 H new ATOM 1009 N GLY A 73 -12.819 9.780 -3.055 1.00 0.00 N ATOM 1010 CA GLY A 73 -12.802 10.306 -1.700 1.00 0.00 C ATOM 1011 C GLY A 73 -12.219 9.285 -0.722 1.00 0.00 C ATOM 1012 O GLY A 73 -12.464 8.086 -0.851 1.00 0.00 O ATOM 0 H GLY A 73 -13.737 9.776 -3.500 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.212 11.222 -1.669 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.815 10.569 -1.396 1.00 0.00 H new ATOM 1016 N TYR A 74 -11.458 9.797 0.234 1.00 0.00 N ATOM 1017 CA TYR A 74 -10.838 8.944 1.234 1.00 0.00 C ATOM 1018 C TYR A 74 -11.864 7.998 1.861 1.00 0.00 C ATOM 1019 O TYR A 74 -11.516 6.906 2.306 1.00 0.00 O ATOM 1020 CB TYR A 74 -10.300 9.883 2.315 1.00 0.00 C ATOM 1021 CG TYR A 74 -9.665 9.163 3.506 1.00 0.00 C ATOM 1022 CD1 TYR A 74 -8.323 8.841 3.483 1.00 0.00 C ATOM 1023 CD2 TYR A 74 -10.435 8.835 4.604 1.00 0.00 C ATOM 1024 CE1 TYR A 74 -7.726 8.163 4.604 1.00 0.00 C ATOM 1025 CE2 TYR A 74 -9.837 8.157 5.725 1.00 0.00 C ATOM 1026 CZ TYR A 74 -8.512 7.855 5.670 1.00 0.00 C ATOM 1027 OH TYR A 74 -7.948 7.214 6.729 1.00 0.00 O ATOM 0 H TYR A 74 -11.257 10.792 0.337 1.00 0.00 H new ATOM 0 HA TYR A 74 -10.056 8.333 0.784 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.560 10.548 1.869 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -11.115 10.510 2.676 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.721 9.098 2.624 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -11.485 9.087 4.622 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.677 7.905 4.598 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -10.428 7.894 6.590 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.628 7.059 7.418 1.00 0.00 H new ATOM 1037 N LEU A 75 -13.108 8.454 1.877 1.00 0.00 N ATOM 1038 CA LEU A 75 -14.188 7.662 2.442 1.00 0.00 C ATOM 1039 C LEU A 75 -14.620 6.600 1.430 1.00 0.00 C ATOM 1040 O LEU A 75 -15.055 5.514 1.811 1.00 0.00 O ATOM 1041 CB LEU A 75 -15.329 8.568 2.908 1.00 0.00 C ATOM 1042 CG LEU A 75 -15.122 9.272 4.251 1.00 0.00 C ATOM 1043 CD1 LEU A 75 -16.392 10.004 4.688 1.00 0.00 C ATOM 1044 CD2 LEU A 75 -14.631 8.289 5.315 1.00 0.00 C ATOM 0 H LEU A 75 -13.392 9.361 1.508 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.847 7.134 3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -15.498 9.327 2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -16.238 7.970 2.970 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.344 10.025 4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.218 10.496 5.645 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.657 10.751 3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.207 9.288 4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.492 8.815 6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.368 7.497 5.446 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.683 7.854 4.999 1.00 0.00 H new ATOM 1056 N ARG A 76 -14.486 6.950 0.159 1.00 0.00 N ATOM 1057 CA ARG A 76 -14.857 6.040 -0.911 1.00 0.00 C ATOM 1058 C ARG A 76 -13.833 4.908 -1.025 1.00 0.00 C ATOM 1059 O ARG A 76 -14.203 3.745 -1.181 1.00 0.00 O ATOM 1060 CB ARG A 76 -14.947 6.773 -2.251 1.00 0.00 C ATOM 1061 CG ARG A 76 -16.404 7.051 -2.627 1.00 0.00 C ATOM 1062 CD ARG A 76 -16.994 5.889 -3.430 1.00 0.00 C ATOM 1063 NE ARG A 76 -18.242 6.319 -4.099 1.00 0.00 N ATOM 1064 CZ ARG A 76 -19.444 6.339 -3.507 1.00 0.00 C ATOM 1065 NH1 ARG A 76 -19.568 5.954 -2.230 1.00 0.00 N ATOM 1066 NH2 ARG A 76 -20.522 6.745 -4.192 1.00 0.00 N ATOM 0 H ARG A 76 -14.126 7.852 -0.154 1.00 0.00 H new ATOM 0 HA ARG A 76 -15.836 5.626 -0.669 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.397 7.712 -2.193 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -14.475 6.174 -3.030 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -16.993 7.209 -1.723 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -16.464 7.969 -3.211 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -16.273 5.546 -4.172 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -17.197 5.046 -2.770 1.00 0.00 H new ATOM 0 HE ARG A 76 -18.184 6.619 -5.072 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -18.748 5.646 -1.708 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -20.483 5.969 -1.779 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -20.428 7.039 -5.164 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -21.437 6.760 -3.741 1.00 0.00 H new ATOM 1080 N ALA A 77 -12.567 5.288 -0.941 1.00 0.00 N ATOM 1081 CA ALA A 77 -11.487 4.320 -1.033 1.00 0.00 C ATOM 1082 C ALA A 77 -11.481 3.449 0.225 1.00 0.00 C ATOM 1083 O ALA A 77 -11.521 2.223 0.136 1.00 0.00 O ATOM 1084 CB ALA A 77 -10.160 5.053 -1.241 1.00 0.00 C ATOM 0 H ALA A 77 -12.264 6.253 -0.810 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.633 3.662 -1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.350 4.327 -1.310 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.206 5.634 -2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.978 5.721 -0.399 1.00 0.00 H new ATOM 1090 N VAL A 78 -11.432 4.117 1.368 1.00 0.00 N ATOM 1091 CA VAL A 78 -11.420 3.419 2.643 1.00 0.00 C ATOM 1092 C VAL A 78 -12.607 2.455 2.702 1.00 0.00 C ATOM 1093 O VAL A 78 -12.479 1.338 3.200 1.00 0.00 O ATOM 1094 CB VAL A 78 -11.411 4.429 3.792 1.00 0.00 C ATOM 1095 CG1 VAL A 78 -12.787 5.076 3.963 1.00 0.00 C ATOM 1096 CG2 VAL A 78 -10.948 3.773 5.095 1.00 0.00 C ATOM 0 H VAL A 78 -11.400 5.134 1.438 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.513 2.824 2.745 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.699 5.216 3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.754 5.790 4.786 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.062 5.594 3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -13.527 4.306 4.181 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.951 4.513 5.896 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.624 2.957 5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.939 3.381 4.967 1.00 0.00 H new ATOM 1106 N ASP A 79 -13.735 2.923 2.189 1.00 0.00 N ATOM 1107 CA ASP A 79 -14.943 2.117 2.177 1.00 0.00 C ATOM 1108 C ASP A 79 -14.699 0.851 1.354 1.00 0.00 C ATOM 1109 O ASP A 79 -15.159 -0.230 1.719 1.00 0.00 O ATOM 1110 CB ASP A 79 -16.107 2.878 1.539 1.00 0.00 C ATOM 1111 CG ASP A 79 -17.391 2.065 1.359 1.00 0.00 C ATOM 1112 OD1 ASP A 79 -17.424 1.262 0.401 1.00 0.00 O ATOM 1113 OD2 ASP A 79 -18.309 2.264 2.183 1.00 0.00 O ATOM 0 H ASP A 79 -13.838 3.851 1.778 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.194 1.872 3.209 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -16.331 3.751 2.153 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -15.789 3.247 0.564 1.00 0.00 H new ATOM 1118 N LEU A 80 -13.974 1.026 0.259 1.00 0.00 N ATOM 1119 CA LEU A 80 -13.663 -0.089 -0.619 1.00 0.00 C ATOM 1120 C LEU A 80 -12.827 -1.117 0.146 1.00 0.00 C ATOM 1121 O LEU A 80 -13.205 -2.284 0.239 1.00 0.00 O ATOM 1122 CB LEU A 80 -12.999 0.410 -1.904 1.00 0.00 C ATOM 1123 CG LEU A 80 -13.930 1.052 -2.935 1.00 0.00 C ATOM 1124 CD1 LEU A 80 -13.144 1.927 -3.914 1.00 0.00 C ATOM 1125 CD2 LEU A 80 -14.764 -0.009 -3.657 1.00 0.00 C ATOM 0 H LEU A 80 -13.593 1.924 -0.040 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.577 -0.592 -0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.232 1.136 -1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.491 -0.430 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 80 -14.626 1.704 -2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -13.829 2.371 -4.636 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -12.632 2.718 -3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.410 1.316 -4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -15.417 0.474 -4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.101 -0.705 -4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.369 -0.552 -2.931 1.00 0.00 H new ATOM 1137 N ILE A 81 -11.707 -0.646 0.674 1.00 0.00 N ATOM 1138 CA ILE A 81 -10.814 -1.510 1.427 1.00 0.00 C ATOM 1139 C ILE A 81 -11.505 -1.945 2.722 1.00 0.00 C ATOM 1140 O ILE A 81 -11.143 -2.962 3.311 1.00 0.00 O ATOM 1141 CB ILE A 81 -9.466 -0.823 1.651 1.00 0.00 C ATOM 1142 CG1 ILE A 81 -8.678 -0.722 0.343 1.00 0.00 C ATOM 1143 CG2 ILE A 81 -8.666 -1.528 2.748 1.00 0.00 C ATOM 1144 CD1 ILE A 81 -8.697 0.709 -0.199 1.00 0.00 C ATOM 0 H ILE A 81 -11.398 0.323 0.595 1.00 0.00 H new ATOM 0 HA ILE A 81 -10.594 -2.416 0.862 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.655 0.194 1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.648 -1.038 0.509 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.104 -1.400 -0.396 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.712 -1.019 2.887 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.229 -1.504 3.681 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.486 -2.563 2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.130 0.753 -1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.727 1.013 -0.387 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -8.248 1.381 0.532 1.00 0.00 H new ATOM 1156 N ARG A 82 -12.487 -1.152 3.126 1.00 0.00 N ATOM 1157 CA ARG A 82 -13.232 -1.443 4.339 1.00 0.00 C ATOM 1158 C ARG A 82 -14.242 -2.563 4.086 1.00 0.00 C ATOM 1159 O ARG A 82 -14.274 -3.552 4.818 1.00 0.00 O ATOM 1160 CB ARG A 82 -13.972 -0.201 4.841 1.00 0.00 C ATOM 1161 CG ARG A 82 -15.179 -0.591 5.697 1.00 0.00 C ATOM 1162 CD ARG A 82 -15.871 0.649 6.266 1.00 0.00 C ATOM 1163 NE ARG A 82 -16.447 0.341 7.594 1.00 0.00 N ATOM 1164 CZ ARG A 82 -17.393 1.079 8.191 1.00 0.00 C ATOM 1165 NH1 ARG A 82 -17.875 2.171 7.583 1.00 0.00 N ATOM 1166 NH2 ARG A 82 -17.858 0.724 9.397 1.00 0.00 N ATOM 0 H ARG A 82 -12.784 -0.309 2.635 1.00 0.00 H new ATOM 0 HA ARG A 82 -12.518 -1.759 5.099 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -13.293 0.420 5.425 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.302 0.398 3.992 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.886 -1.163 5.096 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.857 -1.239 6.512 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -15.156 1.468 6.351 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -16.657 0.981 5.587 1.00 0.00 H new ATOM 0 HE ARG A 82 -16.103 -0.484 8.085 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.522 2.441 6.665 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -18.595 2.732 8.038 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -17.492 -0.108 9.860 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -18.578 1.286 9.852 1.00 0.00 H new ATOM 1180 N HIS A 83 -15.043 -2.371 3.048 1.00 0.00 N ATOM 1181 CA HIS A 83 -16.052 -3.353 2.690 1.00 0.00 C ATOM 1182 C HIS A 83 -15.461 -4.360 1.701 1.00 0.00 C ATOM 1183 O HIS A 83 -16.152 -4.828 0.798 1.00 0.00 O ATOM 1184 CB HIS A 83 -17.312 -2.668 2.157 1.00 0.00 C ATOM 1185 CG HIS A 83 -18.231 -2.146 3.235 1.00 0.00 C ATOM 1186 ND1 HIS A 83 -19.228 -1.219 2.987 1.00 0.00 N ATOM 1187 CD2 HIS A 83 -18.293 -2.430 4.568 1.00 0.00 C ATOM 1188 CE1 HIS A 83 -19.855 -0.963 4.125 1.00 0.00 C ATOM 1189 NE2 HIS A 83 -19.274 -1.714 5.104 1.00 0.00 N ATOM 0 H HIS A 83 -15.014 -1.550 2.444 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.357 -3.906 3.578 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -17.018 -1.840 1.513 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -17.862 -3.375 1.536 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -17.653 -3.120 5.097 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -20.681 -0.280 4.255 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -19.548 -1.724 6.086 1.00 0.00 H new ATOM 1197 N GLY A 84 -14.187 -4.663 1.906 1.00 0.00 N ATOM 1198 CA GLY A 84 -13.495 -5.605 1.043 1.00 0.00 C ATOM 1199 C GLY A 84 -14.166 -6.979 1.082 1.00 0.00 C ATOM 1200 O GLY A 84 -15.392 -7.074 1.132 1.00 0.00 O ATOM 0 H GLY A 84 -13.617 -4.273 2.656 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.488 -5.229 0.020 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.455 -5.695 1.357 1.00 0.00 H new ATOM 1204 N GLY A 85 -13.334 -8.010 1.057 1.00 0.00 N ATOM 1205 CA GLY A 85 -13.832 -9.375 1.088 1.00 0.00 C ATOM 1206 C GLY A 85 -12.751 -10.342 1.575 1.00 0.00 C ATOM 1207 O GLY A 85 -11.725 -9.916 2.103 1.00 0.00 O ATOM 0 H GLY A 85 -12.318 -7.928 1.016 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.700 -9.434 1.744 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.165 -9.667 0.092 1.00 0.00 H new ATOM 1211 N LYS A 86 -13.018 -11.625 1.380 1.00 0.00 N ATOM 1212 CA LYS A 86 -12.081 -12.656 1.793 1.00 0.00 C ATOM 1213 C LYS A 86 -10.656 -12.204 1.466 1.00 0.00 C ATOM 1214 O LYS A 86 -9.778 -12.237 2.326 1.00 0.00 O ATOM 1215 CB LYS A 86 -12.458 -14.002 1.171 1.00 0.00 C ATOM 1216 CG LYS A 86 -12.034 -15.161 2.075 1.00 0.00 C ATOM 1217 CD LYS A 86 -13.091 -15.434 3.148 1.00 0.00 C ATOM 1218 CE LYS A 86 -13.932 -16.661 2.789 1.00 0.00 C ATOM 1219 NZ LYS A 86 -15.372 -16.373 2.971 1.00 0.00 N ATOM 0 H LYS A 86 -13.870 -11.974 0.941 1.00 0.00 H new ATOM 0 HA LYS A 86 -12.129 -12.805 2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.534 -14.041 1.004 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.981 -14.103 0.196 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.880 -16.058 1.475 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.081 -14.927 2.549 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.605 -15.591 4.111 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.738 -14.564 3.256 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.741 -16.951 1.756 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.642 -17.504 3.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.929 -17.216 2.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.552 -16.118 3.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.648 -15.582 2.355 1.00 0.00 H new ATOM 1233 N LYS A 87 -10.471 -11.793 0.220 1.00 0.00 N ATOM 1234 CA LYS A 87 -9.168 -11.335 -0.231 1.00 0.00 C ATOM 1235 C LYS A 87 -9.258 -9.859 -0.622 1.00 0.00 C ATOM 1236 O LYS A 87 -10.353 -9.322 -0.785 1.00 0.00 O ATOM 1237 CB LYS A 87 -8.642 -12.237 -1.350 1.00 0.00 C ATOM 1238 CG LYS A 87 -8.747 -11.542 -2.709 1.00 0.00 C ATOM 1239 CD LYS A 87 -8.847 -12.566 -3.842 1.00 0.00 C ATOM 1240 CE LYS A 87 -7.483 -12.790 -4.499 1.00 0.00 C ATOM 1241 NZ LYS A 87 -7.538 -13.942 -5.427 1.00 0.00 N ATOM 0 H LYS A 87 -11.202 -11.768 -0.491 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.438 -11.407 0.575 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.603 -12.501 -1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.209 -13.168 -1.369 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.622 -10.892 -2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.876 -10.906 -2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.226 -13.510 -3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.562 -12.220 -4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.182 -11.893 -5.040 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.728 -12.968 -3.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.605 -14.080 -5.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.804 -14.799 -4.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.244 -13.757 -6.168 1.00 0.00 H new ATOM 1255 N MET A 88 -8.093 -9.244 -0.761 1.00 0.00 N ATOM 1256 CA MET A 88 -8.026 -7.841 -1.130 1.00 0.00 C ATOM 1257 C MET A 88 -6.909 -7.593 -2.146 1.00 0.00 C ATOM 1258 O MET A 88 -5.744 -7.881 -1.876 1.00 0.00 O ATOM 1259 CB MET A 88 -7.776 -6.995 0.121 1.00 0.00 C ATOM 1260 CG MET A 88 -8.975 -7.050 1.069 1.00 0.00 C ATOM 1261 SD MET A 88 -9.548 -5.398 1.425 1.00 0.00 S ATOM 1262 CE MET A 88 -9.759 -4.778 -0.236 1.00 0.00 C ATOM 0 H MET A 88 -7.187 -9.692 -0.624 1.00 0.00 H new ATOM 0 HA MET A 88 -8.975 -7.559 -1.586 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.885 -7.354 0.635 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.583 -5.962 -0.167 1.00 0.00 H new ATOM 0 HG2 MET A 88 -9.778 -7.633 0.619 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.695 -7.554 1.994 1.00 0.00 H new ATOM 0 HE1 MET A 88 -9.201 -3.849 -0.351 1.00 0.00 H new ATOM 0 HE2 MET A 88 -9.389 -5.515 -0.949 1.00 0.00 H new ATOM 0 HE3 MET A 88 -10.816 -4.591 -0.423 1.00 0.00 H new ATOM 1272 N ARG A 89 -7.304 -7.061 -3.294 1.00 0.00 N ATOM 1273 CA ARG A 89 -6.351 -6.771 -4.351 1.00 0.00 C ATOM 1274 C ARG A 89 -6.131 -5.262 -4.469 1.00 0.00 C ATOM 1275 O ARG A 89 -7.081 -4.484 -4.388 1.00 0.00 O ATOM 1276 CB ARG A 89 -6.838 -7.315 -5.696 1.00 0.00 C ATOM 1277 CG ARG A 89 -6.230 -8.689 -5.984 1.00 0.00 C ATOM 1278 CD ARG A 89 -6.540 -9.136 -7.415 1.00 0.00 C ATOM 1279 NE ARG A 89 -7.552 -10.216 -7.399 1.00 0.00 N ATOM 1280 CZ ARG A 89 -7.892 -10.941 -8.473 1.00 0.00 C ATOM 1281 NH1 ARG A 89 -7.304 -10.707 -9.654 1.00 0.00 N ATOM 1282 NH2 ARG A 89 -8.821 -11.901 -8.366 1.00 0.00 N ATOM 0 H ARG A 89 -8.271 -6.824 -3.515 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.411 -7.259 -4.093 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.926 -7.389 -5.690 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -6.570 -6.620 -6.492 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -5.151 -8.651 -5.837 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -6.623 -9.420 -5.277 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -6.907 -8.291 -7.997 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.629 -9.487 -7.901 1.00 0.00 H new ATOM 0 HE ARG A 89 -8.019 -10.421 -6.516 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.597 -9.976 -9.736 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -7.563 -11.259 -10.471 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -9.269 -12.079 -7.467 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -9.080 -12.453 -9.183 1.00 0.00 H new ATOM 1296 N PHE A 90 -4.873 -4.892 -4.658 1.00 0.00 N ATOM 1297 CA PHE A 90 -4.516 -3.489 -4.787 1.00 0.00 C ATOM 1298 C PHE A 90 -3.509 -3.282 -5.920 1.00 0.00 C ATOM 1299 O PHE A 90 -2.599 -4.089 -6.103 1.00 0.00 O ATOM 1300 CB PHE A 90 -3.872 -3.068 -3.465 1.00 0.00 C ATOM 1301 CG PHE A 90 -4.692 -3.438 -2.227 1.00 0.00 C ATOM 1302 CD1 PHE A 90 -5.880 -2.821 -1.990 1.00 0.00 C ATOM 1303 CD2 PHE A 90 -4.232 -4.383 -1.364 1.00 0.00 C ATOM 1304 CE1 PHE A 90 -6.641 -3.164 -0.841 1.00 0.00 C ATOM 1305 CE2 PHE A 90 -4.993 -4.726 -0.216 1.00 0.00 C ATOM 1306 CZ PHE A 90 -6.182 -4.109 0.022 1.00 0.00 C ATOM 0 H PHE A 90 -4.088 -5.540 -4.725 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.404 -2.898 -5.013 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.888 -3.531 -3.388 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.716 -1.989 -3.476 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.245 -2.070 -2.675 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.288 -4.872 -1.552 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -7.585 -2.674 -0.653 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.628 -5.477 0.469 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.761 -4.370 0.896 1.00 0.00 H new ATOM 1316 N LEU A 91 -3.707 -2.195 -6.652 1.00 0.00 N ATOM 1317 CA LEU A 91 -2.827 -1.872 -7.763 1.00 0.00 C ATOM 1318 C LEU A 91 -1.950 -0.678 -7.382 1.00 0.00 C ATOM 1319 O LEU A 91 -2.328 0.471 -7.603 1.00 0.00 O ATOM 1320 CB LEU A 91 -3.638 -1.655 -9.042 1.00 0.00 C ATOM 1321 CG LEU A 91 -2.834 -1.586 -10.342 1.00 0.00 C ATOM 1322 CD1 LEU A 91 -1.910 -2.798 -10.480 1.00 0.00 C ATOM 1323 CD2 LEU A 91 -3.758 -1.430 -11.551 1.00 0.00 C ATOM 0 H LEU A 91 -4.463 -1.528 -6.498 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.158 -2.706 -7.974 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.364 -2.463 -9.130 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.203 -0.729 -8.938 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.200 -0.700 -10.305 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.350 -2.724 -11.412 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.215 -2.823 -9.640 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.506 -3.711 -10.486 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.161 -1.383 -12.462 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.435 -2.283 -11.604 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.338 -0.512 -11.450 1.00 0.00 H new ATOM 1335 N VAL A 92 -0.794 -0.991 -6.815 1.00 0.00 N ATOM 1336 CA VAL A 92 0.141 0.041 -6.400 1.00 0.00 C ATOM 1337 C VAL A 92 1.255 0.162 -7.442 1.00 0.00 C ATOM 1338 O VAL A 92 1.547 -0.795 -8.157 1.00 0.00 O ATOM 1339 CB VAL A 92 0.666 -0.261 -4.995 1.00 0.00 C ATOM 1340 CG1 VAL A 92 0.459 -1.734 -4.638 1.00 0.00 C ATOM 1341 CG2 VAL A 92 2.138 0.134 -4.863 1.00 0.00 C ATOM 0 H VAL A 92 -0.483 -1.945 -6.633 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.358 1.008 -6.344 1.00 0.00 H new ATOM 0 HB VAL A 92 0.094 0.339 -4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.841 -1.922 -3.635 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.604 -1.971 -4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.993 -2.360 -5.353 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.486 -0.091 -3.855 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.731 -0.426 -5.585 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.247 1.202 -5.054 1.00 0.00 H new ATOM 1351 N ALA A 93 1.848 1.346 -7.493 1.00 0.00 N ATOM 1352 CA ALA A 93 2.924 1.604 -8.435 1.00 0.00 C ATOM 1353 C ALA A 93 4.261 1.592 -7.691 1.00 0.00 C ATOM 1354 O ALA A 93 4.293 1.466 -6.468 1.00 0.00 O ATOM 1355 CB ALA A 93 2.667 2.931 -9.152 1.00 0.00 C ATOM 0 H ALA A 93 1.604 2.137 -6.897 1.00 0.00 H new ATOM 0 HA ALA A 93 2.964 0.825 -9.196 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.474 3.125 -9.859 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.720 2.877 -9.689 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.624 3.738 -8.420 1.00 0.00 H new ATOM 1361 N LYS A 94 5.331 1.723 -8.461 1.00 0.00 N ATOM 1362 CA LYS A 94 6.667 1.729 -7.890 1.00 0.00 C ATOM 1363 C LYS A 94 6.997 3.136 -7.388 1.00 0.00 C ATOM 1364 O LYS A 94 7.360 4.010 -8.174 1.00 0.00 O ATOM 1365 CB LYS A 94 7.682 1.182 -8.897 1.00 0.00 C ATOM 1366 CG LYS A 94 8.416 -0.034 -8.328 1.00 0.00 C ATOM 1367 CD LYS A 94 8.911 0.239 -6.906 1.00 0.00 C ATOM 1368 CE LYS A 94 10.434 0.117 -6.823 1.00 0.00 C ATOM 1369 NZ LYS A 94 11.043 1.433 -6.527 1.00 0.00 N ATOM 0 H LYS A 94 5.300 1.826 -9.475 1.00 0.00 H new ATOM 0 HA LYS A 94 6.716 1.063 -7.028 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.172 0.905 -9.819 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.402 1.960 -9.152 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.750 -0.897 -8.325 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.261 -0.286 -8.969 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.605 1.238 -6.596 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.448 -0.465 -6.214 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.706 -0.599 -6.047 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.826 -0.268 -7.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.768 1.322 -5.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.481 1.815 -7.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.308 2.089 -6.193 1.00 0.00 H new ATOM 1383 N SER A 95 6.858 3.311 -6.082 1.00 0.00 N ATOM 1384 CA SER A 95 7.136 4.597 -5.466 1.00 0.00 C ATOM 1385 C SER A 95 8.644 4.767 -5.267 1.00 0.00 C ATOM 1386 O SER A 95 9.419 3.860 -5.568 1.00 0.00 O ATOM 1387 CB SER A 95 6.406 4.737 -4.129 1.00 0.00 C ATOM 1388 OG SER A 95 5.164 5.421 -4.268 1.00 0.00 O ATOM 0 H SER A 95 6.557 2.584 -5.434 1.00 0.00 H new ATOM 0 HA SER A 95 6.773 5.380 -6.131 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.230 3.748 -3.707 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.040 5.276 -3.425 1.00 0.00 H new ATOM 0 HG SER A 95 4.786 5.596 -3.381 1.00 0.00 H new ATOM 1394 N ASP A 96 9.014 5.934 -4.761 1.00 0.00 N ATOM 1395 CA ASP A 96 10.415 6.234 -4.519 1.00 0.00 C ATOM 1396 C ASP A 96 10.616 6.548 -3.035 1.00 0.00 C ATOM 1397 O ASP A 96 9.663 6.521 -2.257 1.00 0.00 O ATOM 1398 CB ASP A 96 10.865 7.454 -5.325 1.00 0.00 C ATOM 1399 CG ASP A 96 10.754 7.302 -6.843 1.00 0.00 C ATOM 1400 OD1 ASP A 96 11.181 6.237 -7.340 1.00 0.00 O ATOM 1401 OD2 ASP A 96 10.244 8.254 -7.473 1.00 0.00 O ATOM 0 H ASP A 96 8.368 6.683 -4.512 1.00 0.00 H new ATOM 0 HA ASP A 96 11.002 5.366 -4.820 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.271 8.314 -5.017 1.00 0.00 H new ATOM 0 HB3 ASP A 96 11.902 7.676 -5.072 1.00 0.00 H new ATOM 1406 N VAL A 97 11.861 6.838 -2.687 1.00 0.00 N ATOM 1407 CA VAL A 97 12.198 7.157 -1.310 1.00 0.00 C ATOM 1408 C VAL A 97 11.650 8.542 -0.963 1.00 0.00 C ATOM 1409 O VAL A 97 10.914 8.697 0.010 1.00 0.00 O ATOM 1410 CB VAL A 97 13.710 7.042 -1.102 1.00 0.00 C ATOM 1411 CG1 VAL A 97 14.106 7.499 0.304 1.00 0.00 C ATOM 1412 CG2 VAL A 97 14.194 5.617 -1.372 1.00 0.00 C ATOM 0 H VAL A 97 12.649 6.859 -3.335 1.00 0.00 H new ATOM 0 HA VAL A 97 11.734 6.444 -0.628 1.00 0.00 H new ATOM 0 HB VAL A 97 14.198 7.702 -1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 97 15.185 7.407 0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 97 13.812 8.539 0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 97 13.603 6.876 1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 97 15.272 5.563 -1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 97 13.695 4.928 -0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 97 13.961 5.343 -2.401 1.00 0.00 H new ATOM 1422 N GLU A 98 12.030 9.515 -1.779 1.00 0.00 N ATOM 1423 CA GLU A 98 11.586 10.883 -1.570 1.00 0.00 C ATOM 1424 C GLU A 98 10.092 10.911 -1.239 1.00 0.00 C ATOM 1425 O GLU A 98 9.679 11.544 -0.269 1.00 0.00 O ATOM 1426 CB GLU A 98 11.893 11.752 -2.791 1.00 0.00 C ATOM 1427 CG GLU A 98 13.307 12.331 -2.709 1.00 0.00 C ATOM 1428 CD GLU A 98 13.888 12.559 -4.107 1.00 0.00 C ATOM 1429 OE1 GLU A 98 14.463 11.590 -4.647 1.00 0.00 O ATOM 1430 OE2 GLU A 98 13.743 13.697 -4.603 1.00 0.00 O ATOM 0 H GLU A 98 12.640 9.383 -2.586 1.00 0.00 H new ATOM 0 HA GLU A 98 12.134 11.297 -0.724 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.791 11.158 -3.699 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.167 12.563 -2.857 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.287 13.273 -2.161 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.950 11.651 -2.150 1.00 0.00 H new ATOM 1437 N THR A 99 9.322 10.217 -2.065 1.00 0.00 N ATOM 1438 CA THR A 99 7.884 10.154 -1.872 1.00 0.00 C ATOM 1439 C THR A 99 7.554 9.824 -0.415 1.00 0.00 C ATOM 1440 O THR A 99 6.762 10.519 0.219 1.00 0.00 O ATOM 1441 CB THR A 99 7.317 9.141 -2.868 1.00 0.00 C ATOM 1442 OG1 THR A 99 7.233 9.866 -4.092 1.00 0.00 O ATOM 1443 CG2 THR A 99 5.867 8.763 -2.558 1.00 0.00 C ATOM 0 H THR A 99 9.668 9.694 -2.869 1.00 0.00 H new ATOM 0 HA THR A 99 7.417 11.119 -2.067 1.00 0.00 H new ATOM 0 HB THR A 99 7.935 8.243 -2.863 1.00 0.00 H new ATOM 0 HG1 THR A 99 6.876 9.283 -4.794 1.00 0.00 H new ATOM 0 HG21 THR A 99 5.514 8.042 -3.295 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.811 8.322 -1.563 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.242 9.656 -2.595 1.00 0.00 H new ATOM 1451 N ALA A 100 8.179 8.763 0.073 1.00 0.00 N ATOM 1452 CA ALA A 100 7.963 8.332 1.444 1.00 0.00 C ATOM 1453 C ALA A 100 8.434 9.430 2.400 1.00 0.00 C ATOM 1454 O ALA A 100 7.737 9.766 3.356 1.00 0.00 O ATOM 1455 CB ALA A 100 8.683 7.003 1.681 1.00 0.00 C ATOM 0 H ALA A 100 8.835 8.189 -0.456 1.00 0.00 H new ATOM 0 HA ALA A 100 6.902 8.166 1.631 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.521 6.680 2.709 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.291 6.250 0.998 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.751 7.131 1.505 1.00 0.00 H new ATOM 1461 N LYS A 101 9.613 9.958 2.108 1.00 0.00 N ATOM 1462 CA LYS A 101 10.186 11.011 2.929 1.00 0.00 C ATOM 1463 C LYS A 101 9.107 12.050 3.243 1.00 0.00 C ATOM 1464 O LYS A 101 9.075 12.604 4.341 1.00 0.00 O ATOM 1465 CB LYS A 101 11.429 11.598 2.258 1.00 0.00 C ATOM 1466 CG LYS A 101 12.696 10.877 2.724 1.00 0.00 C ATOM 1467 CD LYS A 101 13.828 11.047 1.709 1.00 0.00 C ATOM 1468 CE LYS A 101 15.102 11.553 2.389 1.00 0.00 C ATOM 1469 NZ LYS A 101 15.933 10.416 2.845 1.00 0.00 N ATOM 0 H LYS A 101 10.188 9.676 1.314 1.00 0.00 H new ATOM 0 HA LYS A 101 10.528 10.608 3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.336 11.514 1.175 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.505 12.660 2.490 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.008 11.271 3.691 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.485 9.817 2.864 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.027 10.094 1.218 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.523 11.748 0.932 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.671 12.171 1.695 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.842 12.184 3.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.793 10.777 3.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.393 9.842 3.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.197 9.829 2.028 1.00 0.00 H new ATOM 1483 N LYS A 102 8.252 12.284 2.259 1.00 0.00 N ATOM 1484 CA LYS A 102 7.175 13.247 2.416 1.00 0.00 C ATOM 1485 C LYS A 102 6.059 12.625 3.259 1.00 0.00 C ATOM 1486 O LYS A 102 5.451 13.302 4.086 1.00 0.00 O ATOM 1487 CB LYS A 102 6.705 13.753 1.051 1.00 0.00 C ATOM 1488 CG LYS A 102 7.814 14.535 0.345 1.00 0.00 C ATOM 1489 CD LYS A 102 7.651 14.468 -1.175 1.00 0.00 C ATOM 1490 CE LYS A 102 9.013 14.408 -1.870 1.00 0.00 C ATOM 1491 NZ LYS A 102 8.862 13.931 -3.263 1.00 0.00 N ATOM 0 H LYS A 102 8.283 11.823 1.349 1.00 0.00 H new ATOM 0 HA LYS A 102 7.527 14.128 2.953 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.399 12.910 0.432 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.829 14.390 1.177 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.794 15.575 0.671 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.786 14.131 0.628 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.063 13.590 -1.443 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.099 15.340 -1.524 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.474 15.396 -1.865 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.679 13.742 -1.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.781 13.976 -3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.521 12.948 -3.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.177 14.533 -3.764 1.00 0.00 H new ATOM 1505 N ILE A 103 5.825 11.343 3.019 1.00 0.00 N ATOM 1506 CA ILE A 103 4.793 10.623 3.745 1.00 0.00 C ATOM 1507 C ILE A 103 5.166 10.563 5.228 1.00 0.00 C ATOM 1508 O ILE A 103 4.291 10.535 6.091 1.00 0.00 O ATOM 1509 CB ILE A 103 4.554 9.249 3.116 1.00 0.00 C ATOM 1510 CG1 ILE A 103 4.131 9.383 1.651 1.00 0.00 C ATOM 1511 CG2 ILE A 103 3.546 8.439 3.932 1.00 0.00 C ATOM 1512 CD1 ILE A 103 2.609 9.481 1.528 1.00 0.00 C ATOM 0 H ILE A 103 6.332 10.785 2.332 1.00 0.00 H new ATOM 0 HA ILE A 103 3.841 11.150 3.676 1.00 0.00 H new ATOM 0 HB ILE A 103 5.495 8.699 3.131 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.593 10.269 1.215 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.491 8.524 1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.395 7.467 3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.926 8.298 4.944 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.597 8.974 3.972 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.334 9.575 0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.152 8.583 1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.255 10.355 2.075 1.00 0.00 H new ATOM 1524 N HIS A 104 6.467 10.546 5.477 1.00 0.00 N ATOM 1525 CA HIS A 104 6.967 10.490 6.841 1.00 0.00 C ATOM 1526 C HIS A 104 6.666 11.811 7.552 1.00 0.00 C ATOM 1527 O HIS A 104 6.762 12.880 6.951 1.00 0.00 O ATOM 1528 CB HIS A 104 8.455 10.133 6.860 1.00 0.00 C ATOM 1529 CG HIS A 104 8.763 8.759 6.315 1.00 0.00 C ATOM 1530 ND1 HIS A 104 9.988 8.140 6.491 1.00 0.00 N ATOM 1531 CD2 HIS A 104 7.993 7.891 5.598 1.00 0.00 C ATOM 1532 CE1 HIS A 104 9.946 6.954 5.902 1.00 0.00 C ATOM 1533 NE2 HIS A 104 8.709 6.802 5.348 1.00 0.00 N ATOM 0 H HIS A 104 7.190 10.570 4.758 1.00 0.00 H new ATOM 0 HA HIS A 104 6.455 9.698 7.387 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.004 10.875 6.279 1.00 0.00 H new ATOM 0 HB3 HIS A 104 8.821 10.197 7.885 1.00 0.00 H new ATOM 0 HD2 HIS A 104 6.973 8.061 5.286 1.00 0.00 H new ATOM 0 HE1 HIS A 104 10.750 6.234 5.867 1.00 0.00 H new ATOM 0 HE2 HIS A 104 8.387 5.986 4.827 1.00 0.00 H new