USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 493 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 Single : A 62 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 65 GLN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 66 MET CE :methyl -112:sc= -0.619 (180deg=-1.75!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 156:sc= -0.771 (180deg=-1.5) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot -142:sc= 0.399 USER MOD Single : A 95 SER OG : rot -30:sc= 0.863 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= -0.0104 USER MOD Single : A 105 THR OG1 : rot 97:sc= 0.626 USER MOD Single : A 107 ASN : amide:sc= -0.525 X(o=-0.52,f=-0.7) USER MOD Single : A 108 THR OG1 : rot -66:sc= 1.08 USER MOD Single : A 109 SER OG : rot 150:sc= -0.228! USER MOD Single : A 110 CYS SG : rot -46:sc= -0.221 USER MOD Single : A 118 CYS SG : rot 180:sc= -0.164 USER MOD Single : A 123 HIS :FLIP no HD1:sc= -0.755 F(o=-2.2!,f=-0.75) USER MOD Single : A 127 LYS NZ :NH3+ -164:sc=-1.28e-05 (180deg=-0.102) USER MOD Single : A 129 TYR OH : rot -15:sc= -0.396 USER MOD Single : A 130 HIS : no HE2:sc= -1.5 K(o=-1.5,f=-2.9!) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N THR A 62 -12.172 -2.061 -5.336 1.00 0.00 N ATOM 79 CA THR A 62 -12.468 -2.981 -4.239 1.00 0.00 C ATOM 80 C THR A 62 -11.237 -3.165 -3.352 1.00 0.00 C ATOM 81 O THR A 62 -10.108 -3.122 -3.835 1.00 0.00 O ATOM 82 CB THR A 62 -12.901 -4.337 -4.803 1.00 0.00 C ATOM 83 OG1 THR A 62 -11.751 -5.140 -5.031 1.00 0.00 O ATOM 84 CG2 THR A 62 -13.650 -4.131 -6.120 1.00 0.00 C ATOM 0 HA THR A 62 -13.276 -2.561 -3.639 1.00 0.00 H new ATOM 0 HB THR A 62 -13.558 -4.834 -4.090 1.00 0.00 H new ATOM 0 HG1 THR A 62 -12.025 -6.009 -5.391 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.957 -5.098 -6.519 1.00 0.00 H new ATOM 0 HG22 THR A 62 -14.532 -3.514 -5.945 1.00 0.00 H new ATOM 0 HG23 THR A 62 -12.996 -3.634 -6.836 1.00 0.00 H new ATOM 92 N PRO A 63 -11.433 -3.369 -2.070 1.00 0.00 N ATOM 93 CA PRO A 63 -10.306 -3.560 -1.108 1.00 0.00 C ATOM 94 C PRO A 63 -9.486 -4.806 -1.433 1.00 0.00 C ATOM 95 O PRO A 63 -8.264 -4.815 -1.281 1.00 0.00 O ATOM 96 CB PRO A 63 -10.996 -3.686 0.260 1.00 0.00 C ATOM 97 CG PRO A 63 -12.414 -4.051 -0.037 1.00 0.00 C ATOM 98 CD PRO A 63 -12.741 -3.447 -1.400 1.00 0.00 C ATOM 0 HA PRO A 63 -9.593 -2.736 -1.143 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -10.515 -4.449 0.873 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.940 -2.749 0.815 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -12.541 -5.133 -0.052 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -13.083 -3.662 0.730 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.440 -4.071 -1.957 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -13.200 -2.463 -1.302 1.00 0.00 H new ATOM 106 N GLU A 64 -10.165 -5.853 -1.888 1.00 0.00 N ATOM 107 CA GLU A 64 -9.487 -7.093 -2.240 1.00 0.00 C ATOM 108 C GLU A 64 -8.645 -6.891 -3.494 1.00 0.00 C ATOM 109 O GLU A 64 -7.526 -7.393 -3.594 1.00 0.00 O ATOM 110 CB GLU A 64 -10.516 -8.201 -2.483 1.00 0.00 C ATOM 111 CG GLU A 64 -9.798 -9.536 -2.691 1.00 0.00 C ATOM 112 CD GLU A 64 -9.106 -9.966 -1.403 1.00 0.00 C ATOM 113 OE1 GLU A 64 -9.805 -10.336 -0.473 1.00 0.00 O ATOM 114 OE2 GLU A 64 -7.888 -9.917 -1.362 1.00 0.00 O ATOM 0 H GLU A 64 -11.176 -5.868 -2.021 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.835 -7.383 -1.416 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.196 -8.271 -1.634 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.121 -7.963 -3.358 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.513 -10.298 -3.000 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.065 -9.443 -3.493 1.00 0.00 H new ATOM 121 N GLN A 65 -9.193 -6.145 -4.449 1.00 0.00 N ATOM 122 CA GLN A 65 -8.488 -5.873 -5.695 1.00 0.00 C ATOM 123 C GLN A 65 -7.188 -5.127 -5.421 1.00 0.00 C ATOM 124 O GLN A 65 -6.114 -5.558 -5.843 1.00 0.00 O ATOM 125 CB GLN A 65 -9.375 -5.039 -6.623 1.00 0.00 C ATOM 126 CG GLN A 65 -8.590 -4.671 -7.883 1.00 0.00 C ATOM 127 CD GLN A 65 -9.541 -4.133 -8.948 1.00 0.00 C ATOM 128 OE1 GLN A 65 -10.740 -3.748 -8.605 1.00 0.00 O flip ATOM 129 NE2 GLN A 65 -9.182 -4.062 -10.123 1.00 0.00 N flip ATOM 0 H GLN A 65 -10.118 -5.721 -4.384 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.253 -6.823 -6.175 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.270 -5.601 -6.890 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.707 -4.136 -6.111 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.835 -3.922 -7.646 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.063 -5.546 -8.262 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.245 -4.363 -10.389 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.822 -3.702 -10.831 1.00 0.00 H new ATOM 138 N MET A 66 -7.286 -4.006 -4.711 1.00 0.00 N ATOM 139 CA MET A 66 -6.103 -3.216 -4.390 1.00 0.00 C ATOM 140 C MET A 66 -5.119 -4.043 -3.570 1.00 0.00 C ATOM 141 O MET A 66 -3.905 -3.930 -3.743 1.00 0.00 O ATOM 142 CB MET A 66 -6.501 -1.960 -3.609 1.00 0.00 C ATOM 143 CG MET A 66 -7.269 -2.358 -2.352 1.00 0.00 C ATOM 144 SD MET A 66 -7.771 -0.866 -1.453 1.00 0.00 S ATOM 145 CE MET A 66 -8.919 -0.217 -2.694 1.00 0.00 C ATOM 0 H MET A 66 -8.162 -3.628 -4.351 1.00 0.00 H new ATOM 0 HA MET A 66 -5.623 -2.918 -5.322 1.00 0.00 H new ATOM 0 HB2 MET A 66 -5.611 -1.391 -3.339 1.00 0.00 H new ATOM 0 HB3 MET A 66 -7.116 -1.312 -4.233 1.00 0.00 H new ATOM 0 HG2 MET A 66 -8.146 -2.947 -2.620 1.00 0.00 H new ATOM 0 HG3 MET A 66 -6.646 -2.986 -1.716 1.00 0.00 H new ATOM 0 HE1 MET A 66 -8.512 0.699 -3.122 1.00 0.00 H new ATOM 0 HE2 MET A 66 -9.058 -0.956 -3.483 1.00 0.00 H new ATOM 0 HE3 MET A 66 -9.879 -0.003 -2.225 1.00 0.00 H new ATOM 155 N ALA A 67 -5.649 -4.881 -2.683 1.00 0.00 N ATOM 156 CA ALA A 67 -4.804 -5.727 -1.849 1.00 0.00 C ATOM 157 C ALA A 67 -3.992 -6.680 -2.719 1.00 0.00 C ATOM 158 O ALA A 67 -2.835 -6.979 -2.422 1.00 0.00 O ATOM 159 CB ALA A 67 -5.665 -6.531 -0.873 1.00 0.00 C ATOM 0 H ALA A 67 -6.651 -4.991 -2.525 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.123 -5.090 -1.285 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.024 -7.160 -0.255 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.227 -5.848 -0.236 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.359 -7.159 -1.432 1.00 0.00 H new ATOM 165 N LYS A 68 -4.609 -7.148 -3.797 1.00 0.00 N ATOM 166 CA LYS A 68 -3.941 -8.063 -4.714 1.00 0.00 C ATOM 167 C LYS A 68 -2.896 -7.322 -5.542 1.00 0.00 C ATOM 168 O LYS A 68 -1.765 -7.783 -5.692 1.00 0.00 O ATOM 169 CB LYS A 68 -4.971 -8.708 -5.645 1.00 0.00 C ATOM 170 CG LYS A 68 -5.739 -9.794 -4.887 1.00 0.00 C ATOM 171 CD LYS A 68 -6.776 -10.428 -5.817 1.00 0.00 C ATOM 172 CE LYS A 68 -7.493 -11.566 -5.086 1.00 0.00 C ATOM 173 NZ LYS A 68 -8.758 -11.895 -5.800 1.00 0.00 N ATOM 0 H LYS A 68 -5.566 -6.910 -4.057 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.442 -8.837 -4.131 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.662 -7.952 -6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.472 -9.140 -6.513 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.049 -10.555 -4.522 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.231 -9.365 -4.014 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.498 -9.677 -6.139 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.290 -10.809 -6.715 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.850 -12.445 -5.039 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.708 -11.274 -4.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.246 -12.668 -5.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.372 -11.056 -5.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.541 -12.191 -6.773 1.00 0.00 H new ATOM 187 N GLU A 69 -3.286 -6.168 -6.080 1.00 0.00 N ATOM 188 CA GLU A 69 -2.378 -5.368 -6.895 1.00 0.00 C ATOM 189 C GLU A 69 -1.190 -4.889 -6.067 1.00 0.00 C ATOM 190 O GLU A 69 -0.068 -4.795 -6.567 1.00 0.00 O ATOM 191 CB GLU A 69 -3.121 -4.159 -7.468 1.00 0.00 C ATOM 192 CG GLU A 69 -4.190 -4.638 -8.453 1.00 0.00 C ATOM 193 CD GLU A 69 -3.534 -5.120 -9.743 1.00 0.00 C ATOM 194 OE1 GLU A 69 -2.825 -4.336 -10.352 1.00 0.00 O ATOM 195 OE2 GLU A 69 -3.749 -6.265 -10.102 1.00 0.00 O ATOM 0 H GLU A 69 -4.218 -5.769 -5.967 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.009 -5.991 -7.710 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.583 -3.587 -6.663 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.420 -3.493 -7.971 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.771 -5.445 -8.007 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.885 -3.827 -8.670 1.00 0.00 H new ATOM 202 N MET A 70 -1.442 -4.587 -4.800 1.00 0.00 N ATOM 203 CA MET A 70 -0.382 -4.120 -3.913 1.00 0.00 C ATOM 204 C MET A 70 0.580 -5.260 -3.589 1.00 0.00 C ATOM 205 O MET A 70 1.783 -5.162 -3.835 1.00 0.00 O ATOM 206 CB MET A 70 -0.988 -3.571 -2.617 1.00 0.00 C ATOM 207 CG MET A 70 -1.492 -2.140 -2.841 1.00 0.00 C ATOM 208 SD MET A 70 -1.866 -1.375 -1.242 1.00 0.00 S ATOM 209 CE MET A 70 -3.568 -1.970 -1.084 1.00 0.00 C ATOM 0 H MET A 70 -2.362 -4.656 -4.365 1.00 0.00 H new ATOM 0 HA MET A 70 0.169 -3.326 -4.417 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.810 -4.208 -2.291 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.241 -3.583 -1.823 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.738 -1.556 -3.368 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.383 -2.151 -3.468 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.850 -1.991 -0.031 1.00 0.00 H new ATOM 0 HE2 MET A 70 -4.238 -1.303 -1.626 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.642 -2.975 -1.499 1.00 0.00 H new ATOM 219 N SER A 71 0.041 -6.338 -3.031 1.00 0.00 N ATOM 220 CA SER A 71 0.859 -7.489 -2.669 1.00 0.00 C ATOM 221 C SER A 71 1.776 -7.892 -3.819 1.00 0.00 C ATOM 222 O SER A 71 2.992 -7.991 -3.646 1.00 0.00 O ATOM 223 CB SER A 71 -0.040 -8.668 -2.293 1.00 0.00 C ATOM 224 OG SER A 71 0.714 -9.872 -2.359 1.00 0.00 O ATOM 0 H SER A 71 -0.952 -6.439 -2.821 1.00 0.00 H new ATOM 0 HA SER A 71 1.477 -7.212 -1.815 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.440 -8.530 -1.288 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.892 -8.721 -2.970 1.00 0.00 H new ATOM 0 HG SER A 71 0.142 -10.630 -2.117 1.00 0.00 H new ATOM 230 N GLU A 72 1.196 -8.129 -4.992 1.00 0.00 N ATOM 231 CA GLU A 72 1.989 -8.528 -6.150 1.00 0.00 C ATOM 232 C GLU A 72 2.997 -7.440 -6.512 1.00 0.00 C ATOM 233 O GLU A 72 4.146 -7.738 -6.839 1.00 0.00 O ATOM 234 CB GLU A 72 1.079 -8.821 -7.347 1.00 0.00 C ATOM 235 CG GLU A 72 0.435 -7.525 -7.838 1.00 0.00 C ATOM 236 CD GLU A 72 -0.633 -7.838 -8.882 1.00 0.00 C ATOM 237 OE1 GLU A 72 -1.121 -8.956 -8.884 1.00 0.00 O ATOM 238 OE2 GLU A 72 -0.947 -6.956 -9.663 1.00 0.00 O ATOM 0 H GLU A 72 0.194 -8.053 -5.165 1.00 0.00 H new ATOM 0 HA GLU A 72 2.534 -9.436 -5.893 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.656 -9.278 -8.151 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.307 -9.536 -7.062 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.010 -6.989 -6.999 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.194 -6.871 -8.267 1.00 0.00 H new ATOM 245 N PHE A 73 2.571 -6.180 -6.449 1.00 0.00 N ATOM 246 CA PHE A 73 3.470 -5.076 -6.770 1.00 0.00 C ATOM 247 C PHE A 73 4.793 -5.253 -6.031 1.00 0.00 C ATOM 248 O PHE A 73 5.866 -5.177 -6.631 1.00 0.00 O ATOM 249 CB PHE A 73 2.828 -3.733 -6.382 1.00 0.00 C ATOM 250 CG PHE A 73 2.449 -2.964 -7.629 1.00 0.00 C ATOM 251 CD1 PHE A 73 1.645 -3.564 -8.605 1.00 0.00 C ATOM 252 CD2 PHE A 73 2.902 -1.650 -7.810 1.00 0.00 C ATOM 253 CE1 PHE A 73 1.293 -2.855 -9.759 1.00 0.00 C ATOM 254 CE2 PHE A 73 2.551 -0.939 -8.964 1.00 0.00 C ATOM 255 CZ PHE A 73 1.746 -1.541 -9.939 1.00 0.00 C ATOM 0 H PHE A 73 1.626 -5.902 -6.184 1.00 0.00 H new ATOM 0 HA PHE A 73 3.657 -5.077 -7.844 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.944 -3.906 -5.768 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.524 -3.148 -5.781 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.295 -4.577 -8.467 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.523 -1.185 -7.058 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.672 -3.320 -10.511 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.901 0.073 -9.102 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.474 -0.993 -10.829 1.00 0.00 H new ATOM 265 N LEU A 74 4.709 -5.496 -4.726 1.00 0.00 N ATOM 266 CA LEU A 74 5.909 -5.690 -3.918 1.00 0.00 C ATOM 267 C LEU A 74 6.664 -6.932 -4.382 1.00 0.00 C ATOM 268 O LEU A 74 7.870 -6.885 -4.621 1.00 0.00 O ATOM 269 CB LEU A 74 5.537 -5.844 -2.441 1.00 0.00 C ATOM 270 CG LEU A 74 4.589 -4.717 -2.023 1.00 0.00 C ATOM 271 CD1 LEU A 74 4.360 -4.782 -0.513 1.00 0.00 C ATOM 272 CD2 LEU A 74 5.205 -3.363 -2.389 1.00 0.00 C ATOM 0 H LEU A 74 3.832 -5.563 -4.210 1.00 0.00 H new ATOM 0 HA LEU A 74 6.548 -4.815 -4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.062 -6.811 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.437 -5.821 -1.826 1.00 0.00 H new ATOM 0 HG LEU A 74 3.638 -4.832 -2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.685 -3.980 -0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.919 -5.744 -0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.312 -4.668 0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.528 -2.563 -2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.157 -3.245 -1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.369 -3.317 -3.466 1.00 0.00 H new ATOM 284 N SER A 75 5.944 -8.043 -4.505 1.00 0.00 N ATOM 285 CA SER A 75 6.554 -9.292 -4.938 1.00 0.00 C ATOM 286 C SER A 75 7.332 -9.088 -6.234 1.00 0.00 C ATOM 287 O SER A 75 8.378 -9.700 -6.446 1.00 0.00 O ATOM 288 CB SER A 75 5.475 -10.355 -5.152 1.00 0.00 C ATOM 289 OG SER A 75 6.086 -11.637 -5.218 1.00 0.00 O ATOM 0 H SER A 75 4.944 -8.103 -4.312 1.00 0.00 H new ATOM 0 HA SER A 75 7.243 -9.625 -4.162 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.752 -10.325 -4.337 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.926 -10.153 -6.072 1.00 0.00 H new ATOM 0 HG SER A 75 5.397 -12.321 -5.354 1.00 0.00 H new ATOM 295 N ARG A 76 6.814 -8.221 -7.098 1.00 0.00 N ATOM 296 CA ARG A 76 7.467 -7.942 -8.371 1.00 0.00 C ATOM 297 C ARG A 76 8.740 -7.131 -8.152 1.00 0.00 C ATOM 298 O ARG A 76 9.778 -7.414 -8.749 1.00 0.00 O ATOM 299 CB ARG A 76 6.516 -7.167 -9.288 1.00 0.00 C ATOM 300 CG ARG A 76 5.312 -8.047 -9.651 1.00 0.00 C ATOM 301 CD ARG A 76 5.637 -8.888 -10.889 1.00 0.00 C ATOM 302 NE ARG A 76 4.494 -9.720 -11.248 1.00 0.00 N ATOM 303 CZ ARG A 76 3.383 -9.185 -11.741 1.00 0.00 C ATOM 304 NH1 ARG A 76 3.300 -7.894 -11.913 1.00 0.00 N ATOM 305 NH2 ARG A 76 2.374 -9.951 -12.056 1.00 0.00 N ATOM 0 H ARG A 76 5.950 -7.703 -6.941 1.00 0.00 H new ATOM 0 HA ARG A 76 7.729 -8.890 -8.840 1.00 0.00 H new ATOM 0 HB2 ARG A 76 6.177 -6.258 -8.791 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.039 -6.859 -10.193 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.061 -8.698 -8.814 1.00 0.00 H new ATOM 0 HG3 ARG A 76 4.439 -7.423 -9.843 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.897 -8.236 -11.723 1.00 0.00 H new ATOM 0 HD3 ARG A 76 6.506 -9.516 -10.693 1.00 0.00 H new ATOM 0 HE ARG A 76 4.549 -10.730 -11.118 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.089 -7.295 -11.669 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.446 -7.484 -12.292 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.439 -10.960 -11.923 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.521 -9.540 -12.435 1.00 0.00 H new ATOM 526 N TYR A 92 9.579 9.124 5.564 1.00 0.00 N ATOM 527 CA TYR A 92 8.558 9.555 4.614 1.00 0.00 C ATOM 528 C TYR A 92 7.171 9.150 5.107 1.00 0.00 C ATOM 529 O TYR A 92 6.833 7.968 5.137 1.00 0.00 O ATOM 530 CB TYR A 92 8.820 8.922 3.241 1.00 0.00 C ATOM 531 CG TYR A 92 9.699 9.833 2.417 1.00 0.00 C ATOM 532 CD1 TYR A 92 9.140 10.930 1.754 1.00 0.00 C ATOM 533 CD2 TYR A 92 11.073 9.580 2.317 1.00 0.00 C ATOM 534 CE1 TYR A 92 9.952 11.777 0.990 1.00 0.00 C ATOM 535 CE2 TYR A 92 11.886 10.426 1.553 1.00 0.00 C ATOM 536 CZ TYR A 92 11.325 11.524 0.889 1.00 0.00 C ATOM 537 OH TYR A 92 12.127 12.358 0.137 1.00 0.00 O ATOM 0 HA TYR A 92 8.601 10.641 4.526 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.300 7.951 3.364 1.00 0.00 H new ATOM 0 HB3 TYR A 92 7.876 8.748 2.725 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.080 11.124 1.831 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.505 8.733 2.829 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.519 12.625 0.479 1.00 0.00 H new ATOM 0 HE2 TYR A 92 12.946 10.232 1.476 1.00 0.00 H new ATOM 0 HH TYR A 92 12.805 11.826 -0.330 1.00 0.00 H new ATOM 547 N ASP A 93 6.372 10.143 5.487 1.00 0.00 N ATOM 548 CA ASP A 93 5.020 9.879 5.971 1.00 0.00 C ATOM 549 C ASP A 93 4.009 10.086 4.849 1.00 0.00 C ATOM 550 O ASP A 93 3.565 11.207 4.600 1.00 0.00 O ATOM 551 CB ASP A 93 4.691 10.814 7.137 1.00 0.00 C ATOM 552 CG ASP A 93 5.458 10.383 8.382 1.00 0.00 C ATOM 553 OD1 ASP A 93 4.970 9.512 9.083 1.00 0.00 O ATOM 554 OD2 ASP A 93 6.522 10.930 8.618 1.00 0.00 O ATOM 0 H ASP A 93 6.633 11.129 5.470 1.00 0.00 H new ATOM 0 HA ASP A 93 4.967 8.845 6.312 1.00 0.00 H new ATOM 0 HB2 ASP A 93 4.951 11.840 6.876 1.00 0.00 H new ATOM 0 HB3 ASP A 93 3.619 10.798 7.336 1.00 0.00 H new ATOM 559 N LEU A 94 3.650 8.998 4.174 1.00 0.00 N ATOM 560 CA LEU A 94 2.690 9.072 3.078 1.00 0.00 C ATOM 561 C LEU A 94 1.308 8.626 3.547 1.00 0.00 C ATOM 562 O LEU A 94 0.436 8.317 2.735 1.00 0.00 O ATOM 563 CB LEU A 94 3.145 8.183 1.916 1.00 0.00 C ATOM 564 CG LEU A 94 4.669 8.243 1.777 1.00 0.00 C ATOM 565 CD1 LEU A 94 5.109 7.337 0.626 1.00 0.00 C ATOM 566 CD2 LEU A 94 5.098 9.681 1.479 1.00 0.00 C ATOM 0 H LEU A 94 4.006 8.061 4.365 1.00 0.00 H new ATOM 0 HA LEU A 94 2.635 10.107 2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.827 7.155 2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.674 8.511 0.990 1.00 0.00 H new ATOM 0 HG LEU A 94 5.132 7.909 2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.194 7.378 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.802 6.312 0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.645 7.675 -0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.183 9.724 1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.635 10.014 0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.782 10.331 2.295 1.00 0.00 H new ATOM 578 N SER A 95 1.118 8.592 4.863 1.00 0.00 N ATOM 579 CA SER A 95 -0.161 8.178 5.430 1.00 0.00 C ATOM 580 C SER A 95 -1.274 9.136 5.018 1.00 0.00 C ATOM 581 O SER A 95 -2.428 8.966 5.412 1.00 0.00 O ATOM 582 CB SER A 95 -0.062 8.132 6.955 1.00 0.00 C ATOM 583 OG SER A 95 -1.314 7.725 7.494 1.00 0.00 O ATOM 0 H SER A 95 1.827 8.844 5.552 1.00 0.00 H new ATOM 0 HA SER A 95 -0.399 7.185 5.049 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.721 7.438 7.260 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.213 9.113 7.343 1.00 0.00 H new ATOM 0 HG SER A 95 -2.037 8.019 6.901 1.00 0.00 H new ATOM 589 N LYS A 96 -0.920 10.145 4.224 1.00 0.00 N ATOM 590 CA LYS A 96 -1.898 11.128 3.764 1.00 0.00 C ATOM 591 C LYS A 96 -2.149 10.973 2.268 1.00 0.00 C ATOM 592 O LYS A 96 -2.980 11.677 1.691 1.00 0.00 O ATOM 593 CB LYS A 96 -1.391 12.541 4.052 1.00 0.00 C ATOM 594 CG LYS A 96 -0.962 12.641 5.518 1.00 0.00 C ATOM 595 CD LYS A 96 -0.489 14.064 5.816 1.00 0.00 C ATOM 596 CE LYS A 96 0.018 14.143 7.258 1.00 0.00 C ATOM 597 NZ LYS A 96 0.762 15.419 7.452 1.00 0.00 N ATOM 0 H LYS A 96 0.030 10.303 3.888 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.833 10.960 4.298 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.551 12.777 3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.174 13.270 3.841 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.795 12.379 6.170 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -0.162 11.930 5.723 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.305 14.347 5.124 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.307 14.769 5.668 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.820 14.088 7.953 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.667 13.294 7.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.107 15.474 8.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.570 15.453 6.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.129 16.222 7.262 1.00 0.00 H new ATOM 611 N TRP A 97 -1.426 10.049 1.643 1.00 0.00 N ATOM 612 CA TRP A 97 -1.578 9.810 0.212 1.00 0.00 C ATOM 613 C TRP A 97 -2.704 8.817 -0.053 1.00 0.00 C ATOM 614 O TRP A 97 -3.236 8.206 0.873 1.00 0.00 O ATOM 615 CB TRP A 97 -0.273 9.254 -0.365 1.00 0.00 C ATOM 616 CG TRP A 97 0.773 10.321 -0.363 1.00 0.00 C ATOM 617 CD1 TRP A 97 1.158 11.034 0.720 1.00 0.00 C ATOM 618 CD2 TRP A 97 1.574 10.807 -1.477 1.00 0.00 C ATOM 619 NE1 TRP A 97 2.148 11.921 0.343 1.00 0.00 N ATOM 620 CE2 TRP A 97 2.439 11.821 -1.003 1.00 0.00 C ATOM 621 CE3 TRP A 97 1.636 10.466 -2.841 1.00 0.00 C ATOM 622 CZ2 TRP A 97 3.332 12.476 -1.851 1.00 0.00 C ATOM 623 CZ3 TRP A 97 2.534 11.124 -3.697 1.00 0.00 C ATOM 624 CH2 TRP A 97 3.381 12.126 -3.202 1.00 0.00 C ATOM 0 H TRP A 97 -0.733 9.457 2.101 1.00 0.00 H new ATOM 0 HA TRP A 97 -1.821 10.758 -0.268 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.063 8.401 0.225 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.437 8.894 -1.381 1.00 0.00 H new ATOM 0 HD1 TRP A 97 0.757 10.927 1.717 1.00 0.00 H new ATOM 0 HE1 TRP A 97 2.608 12.570 0.981 1.00 0.00 H new ATOM 0 HE3 TRP A 97 0.989 9.694 -3.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 3.981 13.248 -1.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 2.573 10.857 -4.743 1.00 0.00 H new ATOM 0 HH2 TRP A 97 4.071 12.627 -3.865 1.00 0.00 H new ATOM 635 N LYS A 98 -3.057 8.661 -1.327 1.00 0.00 N ATOM 636 CA LYS A 98 -4.116 7.734 -1.714 1.00 0.00 C ATOM 637 C LYS A 98 -3.528 6.544 -2.462 1.00 0.00 C ATOM 638 O LYS A 98 -2.501 6.663 -3.130 1.00 0.00 O ATOM 639 CB LYS A 98 -5.139 8.447 -2.602 1.00 0.00 C ATOM 640 CG LYS A 98 -5.462 9.823 -2.015 1.00 0.00 C ATOM 641 CD LYS A 98 -6.036 9.657 -0.605 1.00 0.00 C ATOM 642 CE LYS A 98 -6.719 10.957 -0.174 1.00 0.00 C ATOM 643 NZ LYS A 98 -7.287 10.790 1.193 1.00 0.00 N ATOM 0 H LYS A 98 -2.627 9.162 -2.105 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.612 7.376 -0.812 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.745 8.556 -3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.048 7.850 -2.677 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.561 10.436 -1.982 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.178 10.342 -2.652 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.751 8.835 -0.587 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.240 9.403 0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.002 11.778 -0.184 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.509 11.216 -0.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.751 11.673 1.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.984 10.018 1.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.523 10.562 1.861 1.00 0.00 H new ATOM 657 N TYR A 99 -4.181 5.394 -2.340 1.00 0.00 N ATOM 658 CA TYR A 99 -3.713 4.182 -3.001 1.00 0.00 C ATOM 659 C TYR A 99 -3.325 4.465 -4.452 1.00 0.00 C ATOM 660 O TYR A 99 -2.287 4.000 -4.927 1.00 0.00 O ATOM 661 CB TYR A 99 -4.809 3.112 -2.954 1.00 0.00 C ATOM 662 CG TYR A 99 -4.493 2.005 -3.936 1.00 0.00 C ATOM 663 CD1 TYR A 99 -3.265 1.337 -3.870 1.00 0.00 C ATOM 664 CD2 TYR A 99 -5.431 1.648 -4.914 1.00 0.00 C ATOM 665 CE1 TYR A 99 -2.973 0.313 -4.778 1.00 0.00 C ATOM 666 CE2 TYR A 99 -5.139 0.623 -5.823 1.00 0.00 C ATOM 667 CZ TYR A 99 -3.910 -0.044 -5.755 1.00 0.00 C ATOM 668 OH TYR A 99 -3.622 -1.052 -6.651 1.00 0.00 O ATOM 0 H TYR A 99 -5.033 5.276 -1.792 1.00 0.00 H new ATOM 0 HA TYR A 99 -2.829 3.822 -2.475 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.888 2.704 -1.946 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -5.774 3.558 -3.194 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.541 1.612 -3.117 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.379 2.163 -4.967 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.025 -0.202 -4.725 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -5.862 0.347 -6.576 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.379 -1.174 -7.261 1.00 0.00 H new ATOM 678 N ALA A 100 -4.168 5.216 -5.156 1.00 0.00 N ATOM 679 CA ALA A 100 -3.898 5.533 -6.552 1.00 0.00 C ATOM 680 C ALA A 100 -2.731 6.508 -6.680 1.00 0.00 C ATOM 681 O ALA A 100 -1.967 6.452 -7.645 1.00 0.00 O ATOM 682 CB ALA A 100 -5.149 6.106 -7.215 1.00 0.00 C ATOM 0 H ALA A 100 -5.033 5.611 -4.787 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.620 4.611 -7.062 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.934 6.339 -8.258 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.955 5.374 -7.165 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.452 7.015 -6.695 1.00 0.00 H new ATOM 688 N GLU A 101 -2.587 7.390 -5.698 1.00 0.00 N ATOM 689 CA GLU A 101 -1.495 8.353 -5.721 1.00 0.00 C ATOM 690 C GLU A 101 -0.166 7.635 -5.529 1.00 0.00 C ATOM 691 O GLU A 101 0.832 7.972 -6.165 1.00 0.00 O ATOM 692 CB GLU A 101 -1.686 9.390 -4.612 1.00 0.00 C ATOM 693 CG GLU A 101 -2.946 10.217 -4.893 1.00 0.00 C ATOM 694 CD GLU A 101 -2.609 11.401 -5.796 1.00 0.00 C ATOM 695 OE1 GLU A 101 -1.948 11.186 -6.798 1.00 0.00 O ATOM 696 OE2 GLU A 101 -3.017 12.503 -5.469 1.00 0.00 O ATOM 0 H GLU A 101 -3.203 7.458 -4.888 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.493 8.860 -6.686 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.773 8.892 -3.646 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.815 10.043 -4.557 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.702 9.592 -5.368 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.372 10.575 -3.955 1.00 0.00 H new ATOM 703 N LEU A 102 -0.165 6.638 -4.653 1.00 0.00 N ATOM 704 CA LEU A 102 1.042 5.866 -4.384 1.00 0.00 C ATOM 705 C LEU A 102 1.439 5.047 -5.609 1.00 0.00 C ATOM 706 O LEU A 102 2.495 5.273 -6.199 1.00 0.00 O ATOM 707 CB LEU A 102 0.807 4.932 -3.193 1.00 0.00 C ATOM 708 CG LEU A 102 0.468 5.758 -1.948 1.00 0.00 C ATOM 709 CD1 LEU A 102 0.072 4.817 -0.809 1.00 0.00 C ATOM 710 CD2 LEU A 102 1.688 6.589 -1.523 1.00 0.00 C ATOM 0 H LEU A 102 -0.983 6.346 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 102 1.851 6.558 -4.149 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.006 4.241 -3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.697 4.329 -3.010 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.360 6.429 -2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.170 5.402 0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.798 4.232 -1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.902 4.146 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.439 7.174 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.521 5.923 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.971 7.261 -2.333 1.00 0.00 H new ATOM 722 N ARG A 103 0.588 4.097 -5.987 1.00 0.00 N ATOM 723 CA ARG A 103 0.870 3.256 -7.145 1.00 0.00 C ATOM 724 C ARG A 103 1.327 4.108 -8.329 1.00 0.00 C ATOM 725 O ARG A 103 2.266 3.749 -9.042 1.00 0.00 O ATOM 726 CB ARG A 103 -0.378 2.455 -7.536 1.00 0.00 C ATOM 727 CG ARG A 103 -1.446 3.408 -8.067 1.00 0.00 C ATOM 728 CD ARG A 103 -2.776 2.666 -8.236 1.00 0.00 C ATOM 729 NE ARG A 103 -2.566 1.351 -8.820 1.00 0.00 N ATOM 730 CZ ARG A 103 -2.052 1.205 -10.037 1.00 0.00 C ATOM 731 NH1 ARG A 103 -1.751 2.254 -10.753 1.00 0.00 N ATOM 732 NH2 ARG A 103 -1.865 0.009 -10.525 1.00 0.00 N ATOM 0 H ARG A 103 -0.292 3.892 -5.514 1.00 0.00 H new ATOM 0 HA ARG A 103 1.670 2.565 -6.879 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.125 1.715 -8.295 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -0.759 1.909 -6.673 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.572 4.245 -7.380 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.129 3.825 -9.023 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -3.266 2.564 -7.268 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.444 3.248 -8.871 1.00 0.00 H new ATOM 0 HE ARG A 103 -2.819 0.521 -8.283 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -1.910 3.190 -10.379 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -1.357 2.138 -11.687 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -2.113 -0.812 -9.973 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -1.471 -0.105 -11.459 1.00 0.00 H new ATOM 746 N ASP A 104 0.654 5.235 -8.534 1.00 0.00 N ATOM 747 CA ASP A 104 0.993 6.128 -9.635 1.00 0.00 C ATOM 748 C ASP A 104 2.392 6.711 -9.461 1.00 0.00 C ATOM 749 O ASP A 104 3.230 6.617 -10.358 1.00 0.00 O ATOM 750 CB ASP A 104 -0.024 7.263 -9.713 1.00 0.00 C ATOM 751 CG ASP A 104 0.383 8.260 -10.793 1.00 0.00 C ATOM 752 OD1 ASP A 104 1.128 7.874 -11.678 1.00 0.00 O ATOM 753 OD2 ASP A 104 -0.055 9.396 -10.718 1.00 0.00 O ATOM 0 H ASP A 104 -0.125 5.550 -7.956 1.00 0.00 H new ATOM 0 HA ASP A 104 0.973 5.549 -10.558 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -1.013 6.861 -9.933 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -0.092 7.767 -8.749 1.00 0.00 H new ATOM 758 N THR A 105 2.637 7.319 -8.308 1.00 0.00 N ATOM 759 CA THR A 105 3.936 7.920 -8.038 1.00 0.00 C ATOM 760 C THR A 105 5.060 6.939 -8.347 1.00 0.00 C ATOM 761 O THR A 105 5.944 7.227 -9.152 1.00 0.00 O ATOM 762 CB THR A 105 4.021 8.355 -6.573 1.00 0.00 C ATOM 763 OG1 THR A 105 2.856 9.092 -6.233 1.00 0.00 O ATOM 764 CG2 THR A 105 5.257 9.231 -6.371 1.00 0.00 C ATOM 0 H THR A 105 1.960 7.409 -7.551 1.00 0.00 H new ATOM 0 HA THR A 105 4.047 8.793 -8.681 1.00 0.00 H new ATOM 0 HB THR A 105 4.094 7.474 -5.935 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.208 8.498 -5.800 1.00 0.00 H new ATOM 0 HG21 THR A 105 5.317 9.541 -5.328 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.151 8.665 -6.634 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.186 10.113 -7.008 1.00 0.00 H new ATOM 772 N ILE A 106 5.025 5.781 -7.699 1.00 0.00 N ATOM 773 CA ILE A 106 6.054 4.771 -7.913 1.00 0.00 C ATOM 774 C ILE A 106 6.093 4.333 -9.372 1.00 0.00 C ATOM 775 O ILE A 106 7.147 3.961 -9.887 1.00 0.00 O ATOM 776 CB ILE A 106 5.801 3.562 -7.011 1.00 0.00 C ATOM 777 CG1 ILE A 106 4.496 2.868 -7.410 1.00 0.00 C ATOM 778 CG2 ILE A 106 5.697 4.032 -5.559 1.00 0.00 C ATOM 779 CD1 ILE A 106 4.342 1.576 -6.602 1.00 0.00 C ATOM 0 H ILE A 106 4.303 5.519 -7.028 1.00 0.00 H new ATOM 0 HA ILE A 106 7.019 5.210 -7.661 1.00 0.00 H new ATOM 0 HB ILE A 106 6.626 2.858 -7.119 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.649 3.528 -7.226 1.00 0.00 H new ATOM 0 HG13 ILE A 106 4.501 2.645 -8.477 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.517 3.174 -4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.628 4.518 -5.266 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.873 4.739 -5.463 1.00 0.00 H new ATOM 0 HD11 ILE A 106 3.414 1.079 -6.884 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.184 0.915 -6.808 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.319 1.813 -5.538 1.00 0.00 H new ATOM 791 N ASN A 107 4.941 4.369 -10.035 1.00 0.00 N ATOM 792 CA ASN A 107 4.873 3.963 -11.435 1.00 0.00 C ATOM 793 C ASN A 107 5.609 4.961 -12.324 1.00 0.00 C ATOM 794 O ASN A 107 6.129 4.595 -13.380 1.00 0.00 O ATOM 795 CB ASN A 107 3.409 3.864 -11.870 1.00 0.00 C ATOM 796 CG ASN A 107 2.914 2.426 -11.744 1.00 0.00 C ATOM 797 OD1 ASN A 107 3.511 1.510 -12.309 1.00 0.00 O ATOM 798 ND2 ASN A 107 1.850 2.172 -11.030 1.00 0.00 N ATOM 0 H ASN A 107 4.054 4.671 -9.633 1.00 0.00 H new ATOM 0 HA ASN A 107 5.353 2.990 -11.539 1.00 0.00 H new ATOM 0 HB2 ASN A 107 2.795 4.522 -11.255 1.00 0.00 H new ATOM 0 HB3 ASN A 107 3.305 4.202 -12.901 1.00 0.00 H new ATOM 0 HD21 ASN A 107 1.513 1.213 -10.940 1.00 0.00 H new ATOM 0 HD22 ASN A 107 1.356 2.932 -10.562 1.00 0.00 H new ATOM 805 N THR A 108 5.646 6.223 -11.902 1.00 0.00 N ATOM 806 CA THR A 108 6.320 7.261 -12.682 1.00 0.00 C ATOM 807 C THR A 108 7.223 8.113 -11.796 1.00 0.00 C ATOM 808 O THR A 108 7.222 9.339 -11.893 1.00 0.00 O ATOM 809 CB THR A 108 5.283 8.158 -13.367 1.00 0.00 C ATOM 810 OG1 THR A 108 5.931 9.311 -13.886 1.00 0.00 O ATOM 811 CG2 THR A 108 4.215 8.583 -12.356 1.00 0.00 C ATOM 0 H THR A 108 5.222 6.550 -11.034 1.00 0.00 H new ATOM 0 HA THR A 108 6.936 6.770 -13.436 1.00 0.00 H new ATOM 0 HB THR A 108 4.807 7.607 -14.178 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.272 9.856 -13.146 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.481 9.220 -12.849 1.00 0.00 H new ATOM 0 HG22 THR A 108 3.718 7.698 -11.958 1.00 0.00 H new ATOM 0 HG23 THR A 108 4.684 9.133 -11.541 1.00 0.00 H new ATOM 819 N SER A 109 7.997 7.454 -10.939 1.00 0.00 N ATOM 820 CA SER A 109 8.912 8.163 -10.041 1.00 0.00 C ATOM 821 C SER A 109 10.337 7.644 -10.201 1.00 0.00 C ATOM 822 O SER A 109 10.595 6.743 -10.998 1.00 0.00 O ATOM 823 CB SER A 109 8.468 7.986 -8.590 1.00 0.00 C ATOM 824 OG SER A 109 9.544 8.318 -7.725 1.00 0.00 O ATOM 0 H SER A 109 8.012 6.438 -10.845 1.00 0.00 H new ATOM 0 HA SER A 109 8.890 9.221 -10.302 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.608 8.623 -8.381 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.152 6.957 -8.417 1.00 0.00 H new ATOM 0 HG SER A 109 9.189 8.671 -6.882 1.00 0.00 H new ATOM 830 N CYS A 110 11.258 8.223 -9.436 1.00 0.00 N ATOM 831 CA CYS A 110 12.658 7.817 -9.493 1.00 0.00 C ATOM 832 C CYS A 110 13.348 8.098 -8.162 1.00 0.00 C ATOM 833 O CYS A 110 14.572 8.218 -8.097 1.00 0.00 O ATOM 834 CB CYS A 110 13.376 8.574 -10.613 1.00 0.00 C ATOM 835 SG CYS A 110 14.952 7.761 -10.976 1.00 0.00 S ATOM 0 H CYS A 110 11.061 8.972 -8.772 1.00 0.00 H new ATOM 0 HA CYS A 110 12.701 6.747 -9.694 1.00 0.00 H new ATOM 0 HB2 CYS A 110 12.753 8.599 -11.507 1.00 0.00 H new ATOM 0 HB3 CYS A 110 13.548 9.608 -10.315 1.00 0.00 H new ATOM 0 HG CYS A 110 15.567 7.491 -9.863 1.00 0.00 H new ATOM 841 N ASP A 111 12.551 8.198 -7.102 1.00 0.00 N ATOM 842 CA ASP A 111 13.085 8.461 -5.769 1.00 0.00 C ATOM 843 C ASP A 111 13.212 7.158 -4.988 1.00 0.00 C ATOM 844 O ASP A 111 12.217 6.573 -4.570 1.00 0.00 O ATOM 845 CB ASP A 111 12.162 9.430 -5.020 1.00 0.00 C ATOM 846 CG ASP A 111 12.506 10.870 -5.387 1.00 0.00 C ATOM 847 OD1 ASP A 111 13.157 11.065 -6.400 1.00 0.00 O ATOM 848 OD2 ASP A 111 12.110 11.759 -4.650 1.00 0.00 O ATOM 0 H ASP A 111 11.536 8.101 -7.140 1.00 0.00 H new ATOM 0 HA ASP A 111 14.073 8.911 -5.867 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.122 9.221 -5.271 1.00 0.00 H new ATOM 0 HB3 ASP A 111 12.266 9.286 -3.945 1.00 0.00 H new ATOM 853 N ILE A 112 14.444 6.706 -4.809 1.00 0.00 N ATOM 854 CA ILE A 112 14.704 5.463 -4.093 1.00 0.00 C ATOM 855 C ILE A 112 14.037 5.455 -2.728 1.00 0.00 C ATOM 856 O ILE A 112 13.158 4.639 -2.452 1.00 0.00 O ATOM 857 CB ILE A 112 16.207 5.280 -3.899 1.00 0.00 C ATOM 858 CG1 ILE A 112 16.944 5.743 -5.160 1.00 0.00 C ATOM 859 CG2 ILE A 112 16.505 3.804 -3.629 1.00 0.00 C ATOM 860 CD1 ILE A 112 17.174 7.258 -5.114 1.00 0.00 C ATOM 0 H ILE A 112 15.281 7.180 -5.149 1.00 0.00 H new ATOM 0 HA ILE A 112 14.293 4.649 -4.691 1.00 0.00 H new ATOM 0 HB ILE A 112 16.546 5.875 -3.051 1.00 0.00 H new ATOM 0 HG12 ILE A 112 17.900 5.225 -5.242 1.00 0.00 H new ATOM 0 HG13 ILE A 112 16.364 5.483 -6.045 1.00 0.00 H new ATOM 0 HG21 ILE A 112 17.578 3.669 -3.490 1.00 0.00 H new ATOM 0 HG22 ILE A 112 15.979 3.485 -2.729 1.00 0.00 H new ATOM 0 HG23 ILE A 112 16.171 3.205 -4.476 1.00 0.00 H new ATOM 0 HD11 ILE A 112 17.699 7.574 -6.016 1.00 0.00 H new ATOM 0 HD12 ILE A 112 16.214 7.770 -5.055 1.00 0.00 H new ATOM 0 HD13 ILE A 112 17.774 7.509 -4.239 1.00 0.00 H new ATOM 872 N GLU A 113 14.481 6.364 -1.873 1.00 0.00 N ATOM 873 CA GLU A 113 13.947 6.456 -0.523 1.00 0.00 C ATOM 874 C GLU A 113 12.430 6.353 -0.552 1.00 0.00 C ATOM 875 O GLU A 113 11.828 5.593 0.210 1.00 0.00 O ATOM 876 CB GLU A 113 14.375 7.779 0.121 1.00 0.00 C ATOM 877 CG GLU A 113 14.520 8.854 -0.960 1.00 0.00 C ATOM 878 CD GLU A 113 14.822 10.204 -0.317 1.00 0.00 C ATOM 879 OE1 GLU A 113 15.234 10.212 0.832 1.00 0.00 O ATOM 880 OE2 GLU A 113 14.640 11.209 -0.983 1.00 0.00 O ATOM 0 H GLU A 113 15.208 7.046 -2.089 1.00 0.00 H new ATOM 0 HA GLU A 113 14.342 5.631 0.070 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.637 8.090 0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 113 15.320 7.649 0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.320 8.583 -1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 113 13.603 8.918 -1.546 1.00 0.00 H new ATOM 887 N LEU A 114 11.819 7.116 -1.442 1.00 0.00 N ATOM 888 CA LEU A 114 10.376 7.100 -1.572 1.00 0.00 C ATOM 889 C LEU A 114 9.893 5.715 -1.959 1.00 0.00 C ATOM 890 O LEU A 114 9.148 5.079 -1.222 1.00 0.00 O ATOM 891 CB LEU A 114 9.942 8.078 -2.650 1.00 0.00 C ATOM 892 CG LEU A 114 8.434 7.923 -2.897 1.00 0.00 C ATOM 893 CD1 LEU A 114 7.659 8.888 -2.010 1.00 0.00 C ATOM 894 CD2 LEU A 114 8.126 8.207 -4.362 1.00 0.00 C ATOM 0 H LEU A 114 12.298 7.750 -2.081 1.00 0.00 H new ATOM 0 HA LEU A 114 9.946 7.383 -0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 114 10.169 9.099 -2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 114 10.494 7.891 -3.571 1.00 0.00 H new ATOM 0 HG LEU A 114 8.134 6.903 -2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 114 6.591 8.771 -2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 114 7.875 8.673 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 114 7.956 9.911 -2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 114 7.056 8.097 -4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 114 8.431 9.224 -4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 114 8.671 7.503 -4.991 1.00 0.00 H new ATOM 906 N LEU A 115 10.305 5.269 -3.140 1.00 0.00 N ATOM 907 CA LEU A 115 9.893 3.965 -3.631 1.00 0.00 C ATOM 908 C LEU A 115 9.865 2.979 -2.471 1.00 0.00 C ATOM 909 O LEU A 115 8.990 2.116 -2.391 1.00 0.00 O ATOM 910 CB LEU A 115 10.869 3.479 -4.718 1.00 0.00 C ATOM 911 CG LEU A 115 10.360 3.839 -6.127 1.00 0.00 C ATOM 912 CD1 LEU A 115 9.318 2.812 -6.577 1.00 0.00 C ATOM 913 CD2 LEU A 115 9.741 5.246 -6.143 1.00 0.00 C ATOM 0 H LEU A 115 10.918 5.788 -3.768 1.00 0.00 H new ATOM 0 HA LEU A 115 8.897 4.038 -4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.849 3.928 -4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.996 2.399 -4.640 1.00 0.00 H new ATOM 0 HG LEU A 115 11.207 3.827 -6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.960 3.070 -7.574 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.770 1.820 -6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.481 2.814 -5.879 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.389 5.477 -7.148 1.00 0.00 H new ATOM 0 HD22 LEU A 115 8.902 5.283 -5.448 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.492 5.977 -5.844 1.00 0.00 H new ATOM 925 N ALA A 116 10.821 3.138 -1.563 1.00 0.00 N ATOM 926 CA ALA A 116 10.897 2.283 -0.391 1.00 0.00 C ATOM 927 C ALA A 116 9.785 2.650 0.583 1.00 0.00 C ATOM 928 O ALA A 116 9.218 1.786 1.254 1.00 0.00 O ATOM 929 CB ALA A 116 12.253 2.453 0.290 1.00 0.00 C ATOM 0 H ALA A 116 11.550 3.849 -1.618 1.00 0.00 H new ATOM 0 HA ALA A 116 10.780 1.244 -0.699 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.303 1.809 1.168 1.00 0.00 H new ATOM 0 HB2 ALA A 116 13.046 2.180 -0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 116 12.379 3.492 0.595 1.00 0.00 H new ATOM 935 N ALA A 117 9.467 3.941 0.644 1.00 0.00 N ATOM 936 CA ALA A 117 8.412 4.416 1.529 1.00 0.00 C ATOM 937 C ALA A 117 7.055 3.944 1.023 1.00 0.00 C ATOM 938 O ALA A 117 6.280 3.338 1.762 1.00 0.00 O ATOM 939 CB ALA A 117 8.435 5.943 1.599 1.00 0.00 C ATOM 0 H ALA A 117 9.922 4.670 0.095 1.00 0.00 H new ATOM 0 HA ALA A 117 8.581 4.011 2.527 1.00 0.00 H new ATOM 0 HB1 ALA A 117 7.643 6.289 2.263 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.400 6.275 1.982 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.279 6.355 0.602 1.00 0.00 H new ATOM 945 N CYS A 118 6.777 4.221 -0.249 1.00 0.00 N ATOM 946 CA CYS A 118 5.513 3.812 -0.848 1.00 0.00 C ATOM 947 C CYS A 118 5.314 2.307 -0.689 1.00 0.00 C ATOM 948 O CYS A 118 4.315 1.857 -0.120 1.00 0.00 O ATOM 949 CB CYS A 118 5.498 4.177 -2.333 1.00 0.00 C ATOM 950 SG CYS A 118 5.292 5.966 -2.513 1.00 0.00 S ATOM 0 H CYS A 118 7.404 4.722 -0.878 1.00 0.00 H new ATOM 0 HA CYS A 118 4.702 4.333 -0.339 1.00 0.00 H new ATOM 0 HB2 CYS A 118 6.427 3.858 -2.806 1.00 0.00 H new ATOM 0 HB3 CYS A 118 4.686 3.654 -2.839 1.00 0.00 H new ATOM 0 HG CYS A 118 5.282 6.277 -3.775 1.00 0.00 H new ATOM 956 N ARG A 119 6.274 1.532 -1.186 1.00 0.00 N ATOM 957 CA ARG A 119 6.195 0.082 -1.084 1.00 0.00 C ATOM 958 C ARG A 119 5.892 -0.325 0.353 1.00 0.00 C ATOM 959 O ARG A 119 5.021 -1.158 0.603 1.00 0.00 O ATOM 960 CB ARG A 119 7.519 -0.549 -1.526 1.00 0.00 C ATOM 961 CG ARG A 119 7.577 -0.605 -3.055 1.00 0.00 C ATOM 962 CD ARG A 119 8.902 -1.232 -3.494 1.00 0.00 C ATOM 963 NE ARG A 119 8.942 -2.640 -3.120 1.00 0.00 N ATOM 964 CZ ARG A 119 10.095 -3.296 -3.035 1.00 0.00 C ATOM 965 NH1 ARG A 119 11.217 -2.679 -3.286 1.00 0.00 N ATOM 966 NH2 ARG A 119 10.106 -4.558 -2.701 1.00 0.00 N ATOM 0 H ARG A 119 7.107 1.882 -1.659 1.00 0.00 H new ATOM 0 HA ARG A 119 5.394 -0.271 -1.734 1.00 0.00 H new ATOM 0 HB2 ARG A 119 8.357 0.033 -1.141 1.00 0.00 H new ATOM 0 HB3 ARG A 119 7.611 -1.553 -1.112 1.00 0.00 H new ATOM 0 HG2 ARG A 119 6.741 -1.189 -3.440 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.482 0.398 -3.470 1.00 0.00 H new ATOM 0 HD2 ARG A 119 9.020 -1.132 -4.573 1.00 0.00 H new ATOM 0 HD3 ARG A 119 9.734 -0.702 -3.031 1.00 0.00 H new ATOM 0 HE ARG A 119 8.070 -3.130 -2.920 1.00 0.00 H new ATOM 0 HH11 ARG A 119 11.209 -1.693 -3.547 1.00 0.00 H new ATOM 0 HH12 ARG A 119 12.102 -3.183 -3.221 1.00 0.00 H new ATOM 0 HH21 ARG A 119 9.229 -5.041 -2.505 1.00 0.00 H new ATOM 0 HH22 ARG A 119 10.991 -5.061 -2.636 1.00 0.00 H new ATOM 980 N GLU A 120 6.615 0.274 1.293 1.00 0.00 N ATOM 981 CA GLU A 120 6.414 -0.029 2.703 1.00 0.00 C ATOM 982 C GLU A 120 4.968 0.248 3.100 1.00 0.00 C ATOM 983 O GLU A 120 4.327 -0.571 3.759 1.00 0.00 O ATOM 984 CB GLU A 120 7.359 0.816 3.563 1.00 0.00 C ATOM 985 CG GLU A 120 8.756 0.190 3.563 1.00 0.00 C ATOM 986 CD GLU A 120 8.792 -1.005 4.512 1.00 0.00 C ATOM 987 OE1 GLU A 120 8.995 -0.789 5.696 1.00 0.00 O ATOM 988 OE2 GLU A 120 8.617 -2.115 4.042 1.00 0.00 O ATOM 0 H GLU A 120 7.340 0.967 1.105 1.00 0.00 H new ATOM 0 HA GLU A 120 6.631 -1.085 2.867 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.406 1.834 3.176 1.00 0.00 H new ATOM 0 HB3 GLU A 120 6.979 0.880 4.583 1.00 0.00 H new ATOM 0 HG2 GLU A 120 9.021 -0.128 2.555 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.495 0.930 3.869 1.00 0.00 H new ATOM 995 N GLU A 121 4.455 1.405 2.689 1.00 0.00 N ATOM 996 CA GLU A 121 3.080 1.767 3.006 1.00 0.00 C ATOM 997 C GLU A 121 2.146 0.621 2.637 1.00 0.00 C ATOM 998 O GLU A 121 1.297 0.218 3.432 1.00 0.00 O ATOM 999 CB GLU A 121 2.674 3.037 2.238 1.00 0.00 C ATOM 1000 CG GLU A 121 2.509 4.208 3.210 1.00 0.00 C ATOM 1001 CD GLU A 121 3.860 4.586 3.808 1.00 0.00 C ATOM 1002 OE1 GLU A 121 4.797 4.752 3.043 1.00 0.00 O ATOM 1003 OE2 GLU A 121 3.939 4.702 5.019 1.00 0.00 O ATOM 0 H GLU A 121 4.965 2.099 2.142 1.00 0.00 H new ATOM 0 HA GLU A 121 3.005 1.962 4.076 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.431 3.278 1.491 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.741 2.865 1.702 1.00 0.00 H new ATOM 0 HG2 GLU A 121 2.080 5.065 2.690 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.814 3.936 4.004 1.00 0.00 H new ATOM 1010 N PHE A 122 2.315 0.096 1.428 1.00 0.00 N ATOM 1011 CA PHE A 122 1.484 -1.009 0.970 1.00 0.00 C ATOM 1012 C PHE A 122 1.609 -2.193 1.923 1.00 0.00 C ATOM 1013 O PHE A 122 0.626 -2.634 2.512 1.00 0.00 O ATOM 1014 CB PHE A 122 1.913 -1.453 -0.434 1.00 0.00 C ATOM 1015 CG PHE A 122 1.676 -0.358 -1.459 1.00 0.00 C ATOM 1016 CD1 PHE A 122 0.596 0.532 -1.337 1.00 0.00 C ATOM 1017 CD2 PHE A 122 2.541 -0.251 -2.554 1.00 0.00 C ATOM 1018 CE1 PHE A 122 0.391 1.523 -2.307 1.00 0.00 C ATOM 1019 CE2 PHE A 122 2.332 0.735 -3.523 1.00 0.00 C ATOM 1020 CZ PHE A 122 1.258 1.623 -3.400 1.00 0.00 C ATOM 0 H PHE A 122 3.012 0.414 0.755 1.00 0.00 H new ATOM 0 HA PHE A 122 0.449 -0.668 0.943 1.00 0.00 H new ATOM 0 HB2 PHE A 122 2.969 -1.722 -0.425 1.00 0.00 H new ATOM 0 HB3 PHE A 122 1.358 -2.347 -0.720 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -0.077 0.453 -0.496 1.00 0.00 H new ATOM 0 HD2 PHE A 122 3.373 -0.933 -2.651 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -0.437 2.210 -2.210 1.00 0.00 H new ATOM 0 HE2 PHE A 122 3.001 0.811 -4.368 1.00 0.00 H new ATOM 0 HZ PHE A 122 1.098 2.385 -4.148 1.00 0.00 H new ATOM 1030 N HIS A 123 2.823 -2.705 2.068 1.00 0.00 N ATOM 1031 CA HIS A 123 3.069 -3.843 2.946 1.00 0.00 C ATOM 1032 C HIS A 123 2.373 -3.662 4.295 1.00 0.00 C ATOM 1033 O HIS A 123 1.709 -4.573 4.788 1.00 0.00 O ATOM 1034 CB HIS A 123 4.577 -4.003 3.163 1.00 0.00 C ATOM 1035 CG HIS A 123 4.839 -4.770 4.431 1.00 0.00 C ATOM 1036 ND1 HIS A 123 4.730 -4.419 5.754 1.00 0.00 N flip ATOM 1037 CD2 HIS A 123 5.274 -6.086 4.424 1.00 0.00 C flip ATOM 1038 CE1 HIS A 123 5.092 -5.496 6.557 1.00 0.00 C flip ATOM 1039 NE2 HIS A 123 5.411 -6.476 5.705 1.00 0.00 N flip ATOM 0 H HIS A 123 3.652 -2.352 1.590 1.00 0.00 H new ATOM 0 HA HIS A 123 2.664 -4.737 2.471 1.00 0.00 H new ATOM 0 HB2 HIS A 123 5.021 -4.525 2.315 1.00 0.00 H new ATOM 0 HB3 HIS A 123 5.050 -3.023 3.217 1.00 0.00 H new ATOM 0 HD2 HIS A 123 5.468 -6.689 3.549 1.00 0.00 H new ATOM 0 HE1 HIS A 123 5.111 -5.533 7.636 1.00 0.00 H new ATOM 0 HE2 HIS A 123 5.720 -7.405 5.991 1.00 0.00 H new ATOM 1047 N ARG A 124 2.549 -2.490 4.894 1.00 0.00 N ATOM 1048 CA ARG A 124 1.962 -2.206 6.192 1.00 0.00 C ATOM 1049 C ARG A 124 0.436 -2.263 6.147 1.00 0.00 C ATOM 1050 O ARG A 124 -0.185 -3.044 6.872 1.00 0.00 O ATOM 1051 CB ARG A 124 2.426 -0.824 6.654 1.00 0.00 C ATOM 1052 CG ARG A 124 1.955 -0.566 8.090 1.00 0.00 C ATOM 1053 CD ARG A 124 0.612 0.172 8.084 1.00 0.00 C ATOM 1054 NE ARG A 124 0.816 1.592 8.348 1.00 0.00 N ATOM 1055 CZ ARG A 124 -0.178 2.361 8.782 1.00 0.00 C ATOM 1056 NH1 ARG A 124 -1.362 1.849 8.976 1.00 0.00 N ATOM 1057 NH2 ARG A 124 0.031 3.628 9.011 1.00 0.00 N ATOM 0 H ARG A 124 3.094 -1.723 4.499 1.00 0.00 H new ATOM 0 HA ARG A 124 2.293 -2.968 6.897 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.513 -0.760 6.602 1.00 0.00 H new ATOM 0 HB3 ARG A 124 2.029 -0.057 5.989 1.00 0.00 H new ATOM 0 HG2 ARG A 124 1.856 -1.512 8.623 1.00 0.00 H new ATOM 0 HG3 ARG A 124 2.700 0.024 8.624 1.00 0.00 H new ATOM 0 HD2 ARG A 124 0.121 0.041 7.120 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -0.049 -0.254 8.839 1.00 0.00 H new ATOM 0 HE ARG A 124 1.738 2.002 8.197 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -1.525 0.859 8.795 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -2.124 2.439 9.309 1.00 0.00 H new ATOM 0 HH21 ARG A 124 0.957 4.028 8.857 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -0.731 4.219 9.344 1.00 0.00 H new ATOM 1071 N ARG A 125 -0.171 -1.426 5.308 1.00 0.00 N ATOM 1072 CA ARG A 125 -1.628 -1.398 5.213 1.00 0.00 C ATOM 1073 C ARG A 125 -2.168 -2.740 4.723 1.00 0.00 C ATOM 1074 O ARG A 125 -3.351 -3.040 4.886 1.00 0.00 O ATOM 1075 CB ARG A 125 -2.082 -0.262 4.287 1.00 0.00 C ATOM 1076 CG ARG A 125 -1.947 -0.681 2.823 1.00 0.00 C ATOM 1077 CD ARG A 125 -2.044 0.558 1.929 1.00 0.00 C ATOM 1078 NE ARG A 125 -1.053 1.549 2.333 1.00 0.00 N ATOM 1079 CZ ARG A 125 -1.251 2.847 2.127 1.00 0.00 C ATOM 1080 NH1 ARG A 125 -2.346 3.258 1.545 1.00 0.00 N ATOM 1081 NH2 ARG A 125 -0.352 3.711 2.506 1.00 0.00 N ATOM 0 H ARG A 125 0.313 -0.770 4.695 1.00 0.00 H new ATOM 0 HA ARG A 125 -2.032 -1.216 6.209 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -3.118 -0.000 4.503 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -1.483 0.629 4.473 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -0.993 -1.184 2.664 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.730 -1.393 2.563 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -1.885 0.278 0.888 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -3.044 0.986 1.995 1.00 0.00 H new ATOM 0 HE ARG A 125 -0.191 1.240 2.782 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -3.050 2.582 1.248 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -2.497 4.254 1.388 1.00 0.00 H new ATOM 0 HH21 ARG A 125 0.503 3.391 2.961 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -0.504 4.707 2.348 1.00 0.00 H new ATOM 1095 N LEU A 126 -1.293 -3.555 4.138 1.00 0.00 N ATOM 1096 CA LEU A 126 -1.702 -4.869 3.651 1.00 0.00 C ATOM 1097 C LEU A 126 -1.837 -5.828 4.828 1.00 0.00 C ATOM 1098 O LEU A 126 -2.869 -6.479 5.000 1.00 0.00 O ATOM 1099 CB LEU A 126 -0.662 -5.419 2.655 1.00 0.00 C ATOM 1100 CG LEU A 126 -1.171 -5.308 1.207 1.00 0.00 C ATOM 1101 CD1 LEU A 126 -2.505 -6.056 1.052 1.00 0.00 C ATOM 1102 CD2 LEU A 126 -1.353 -3.831 0.830 1.00 0.00 C ATOM 0 H LEU A 126 -0.309 -3.332 3.991 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.661 -4.774 3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.273 -4.868 2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -0.445 -6.461 2.889 1.00 0.00 H new ATOM 0 HG LEU A 126 -0.436 -5.760 0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.853 -5.969 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -2.363 -7.108 1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.246 -5.622 1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.713 -3.759 -0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.077 -3.371 1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -0.398 -3.313 0.916 1.00 0.00 H new ATOM 1114 N LYS A 127 -0.786 -5.904 5.637 1.00 0.00 N ATOM 1115 CA LYS A 127 -0.789 -6.781 6.800 1.00 0.00 C ATOM 1116 C LYS A 127 -1.977 -6.466 7.700 1.00 0.00 C ATOM 1117 O LYS A 127 -2.736 -7.360 8.078 1.00 0.00 O ATOM 1118 CB LYS A 127 0.511 -6.600 7.589 1.00 0.00 C ATOM 1119 CG LYS A 127 1.660 -7.316 6.868 1.00 0.00 C ATOM 1120 CD LYS A 127 1.728 -8.781 7.322 1.00 0.00 C ATOM 1121 CE LYS A 127 2.553 -8.884 8.608 1.00 0.00 C ATOM 1122 NZ LYS A 127 4.003 -8.799 8.277 1.00 0.00 N ATOM 0 H LYS A 127 0.074 -5.371 5.509 1.00 0.00 H new ATOM 0 HA LYS A 127 -0.868 -7.813 6.458 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.739 -5.539 7.693 1.00 0.00 H new ATOM 0 HB3 LYS A 127 0.395 -7.001 8.596 1.00 0.00 H new ATOM 0 HG2 LYS A 127 1.511 -7.267 5.789 1.00 0.00 H new ATOM 0 HG3 LYS A 127 2.604 -6.815 7.083 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.723 -9.167 7.491 1.00 0.00 H new ATOM 0 HD3 LYS A 127 2.177 -9.394 6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 127 2.278 -8.083 9.294 1.00 0.00 H new ATOM 0 HE3 LYS A 127 2.340 -9.825 9.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 4.564 -9.134 9.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 4.205 -9.392 7.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 4.254 -7.812 8.067 1.00 0.00 H new ATOM 1136 N VAL A 128 -2.135 -5.191 8.040 1.00 0.00 N ATOM 1137 CA VAL A 128 -3.239 -4.776 8.898 1.00 0.00 C ATOM 1138 C VAL A 128 -4.576 -5.029 8.206 1.00 0.00 C ATOM 1139 O VAL A 128 -5.536 -5.470 8.835 1.00 0.00 O ATOM 1140 CB VAL A 128 -3.103 -3.293 9.252 1.00 0.00 C ATOM 1141 CG1 VAL A 128 -3.604 -2.430 8.090 1.00 0.00 C ATOM 1142 CG2 VAL A 128 -3.929 -2.987 10.504 1.00 0.00 C ATOM 0 H VAL A 128 -1.520 -4.435 7.739 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.205 -5.363 9.816 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.054 -3.067 9.441 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -3.504 -1.376 8.350 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -3.013 -2.642 7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -4.652 -2.657 7.893 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -3.831 -1.931 10.755 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -4.977 -3.220 10.314 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -3.568 -3.592 11.335 1.00 0.00 H new ATOM 1152 N TYR A 129 -4.626 -4.757 6.906 1.00 0.00 N ATOM 1153 CA TYR A 129 -5.848 -4.970 6.143 1.00 0.00 C ATOM 1154 C TYR A 129 -6.231 -6.445 6.180 1.00 0.00 C ATOM 1155 O TYR A 129 -7.413 -6.794 6.195 1.00 0.00 O ATOM 1156 CB TYR A 129 -5.637 -4.521 4.691 1.00 0.00 C ATOM 1157 CG TYR A 129 -6.733 -5.077 3.809 1.00 0.00 C ATOM 1158 CD1 TYR A 129 -8.046 -4.610 3.945 1.00 0.00 C ATOM 1159 CD2 TYR A 129 -6.435 -6.058 2.854 1.00 0.00 C ATOM 1160 CE1 TYR A 129 -9.060 -5.125 3.127 1.00 0.00 C ATOM 1161 CE2 TYR A 129 -7.448 -6.573 2.037 1.00 0.00 C ATOM 1162 CZ TYR A 129 -8.761 -6.106 2.173 1.00 0.00 C ATOM 1163 OH TYR A 129 -9.760 -6.613 1.369 1.00 0.00 O ATOM 0 H TYR A 129 -3.842 -4.392 6.364 1.00 0.00 H new ATOM 0 HA TYR A 129 -6.653 -4.383 6.585 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -5.633 -3.432 4.636 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -4.665 -4.862 4.335 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -8.277 -3.853 4.680 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -5.422 -6.417 2.748 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -10.073 -4.765 3.232 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -7.217 -7.330 1.302 1.00 0.00 H new ATOM 0 HH TYR A 129 -10.634 -6.373 1.742 1.00 0.00 H new ATOM 1173 N HIS A 130 -5.221 -7.307 6.204 1.00 0.00 N ATOM 1174 CA HIS A 130 -5.455 -8.746 6.244 1.00 0.00 C ATOM 1175 C HIS A 130 -5.794 -9.193 7.663 1.00 0.00 C ATOM 1176 O HIS A 130 -6.476 -10.198 7.860 1.00 0.00 O ATOM 1177 CB HIS A 130 -4.210 -9.491 5.755 1.00 0.00 C ATOM 1178 CG HIS A 130 -4.100 -9.362 4.262 1.00 0.00 C ATOM 1179 ND1 HIS A 130 -5.157 -9.656 3.414 1.00 0.00 N ATOM 1180 CD2 HIS A 130 -3.065 -8.973 3.447 1.00 0.00 C ATOM 1181 CE1 HIS A 130 -4.738 -9.441 2.153 1.00 0.00 C ATOM 1182 NE2 HIS A 130 -3.470 -9.024 2.117 1.00 0.00 N ATOM 0 H HIS A 130 -4.237 -7.037 6.197 1.00 0.00 H new ATOM 0 HA HIS A 130 -6.296 -8.978 5.591 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -3.319 -9.083 6.232 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -4.269 -10.542 6.036 1.00 0.00 H new ATOM 0 HD1 HIS A 130 -6.084 -9.977 3.695 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -2.085 -8.673 3.787 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -5.353 -9.588 1.277 1.00 0.00 H new ATOM 1190 N ALA A 131 -5.315 -8.437 8.644 1.00 0.00 N ATOM 1191 CA ALA A 131 -5.577 -8.766 10.041 1.00 0.00 C ATOM 1192 C ALA A 131 -6.997 -8.365 10.418 1.00 0.00 C ATOM 1193 O ALA A 131 -7.728 -9.138 11.038 1.00 0.00 O ATOM 1194 CB ALA A 131 -4.581 -8.036 10.945 1.00 0.00 C ATOM 0 H ALA A 131 -4.749 -7.601 8.501 1.00 0.00 H new ATOM 0 HA ALA A 131 -5.463 -9.842 10.174 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -4.783 -8.287 11.986 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -3.566 -8.341 10.689 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.683 -6.960 10.805 1.00 0.00 H new ATOM 1200 N TRP A 132 -7.381 -7.155 10.032 1.00 0.00 N ATOM 1201 CA TRP A 132 -8.718 -6.659 10.327 1.00 0.00 C ATOM 1202 C TRP A 132 -9.754 -7.416 9.499 1.00 0.00 C ATOM 1203 O TRP A 132 -10.829 -7.752 9.993 1.00 0.00 O ATOM 1204 CB TRP A 132 -8.787 -5.156 10.026 1.00 0.00 C ATOM 1205 CG TRP A 132 -10.205 -4.744 9.802 1.00 0.00 C ATOM 1206 CD1 TRP A 132 -11.060 -4.332 10.765 1.00 0.00 C ATOM 1207 CD2 TRP A 132 -10.944 -4.695 8.550 1.00 0.00 C ATOM 1208 NE1 TRP A 132 -12.279 -4.034 10.182 1.00 0.00 N ATOM 1209 CE2 TRP A 132 -12.256 -4.241 8.817 1.00 0.00 C ATOM 1210 CE3 TRP A 132 -10.604 -4.999 7.220 1.00 0.00 C ATOM 1211 CZ2 TRP A 132 -13.200 -4.093 7.800 1.00 0.00 C ATOM 1212 CZ3 TRP A 132 -11.550 -4.850 6.193 1.00 0.00 C ATOM 1213 CH2 TRP A 132 -12.846 -4.398 6.483 1.00 0.00 C ATOM 0 H TRP A 132 -6.789 -6.503 9.517 1.00 0.00 H new ATOM 0 HA TRP A 132 -8.936 -6.820 11.383 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -8.362 -4.591 10.856 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -8.189 -4.926 9.144 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -10.829 -4.249 11.817 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -13.094 -3.702 10.697 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -9.609 -5.349 6.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -14.197 -3.745 8.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -11.278 -5.085 5.174 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -13.570 -4.286 5.689 1.00 0.00 H new ATOM 1224 N LYS A 133 -9.420 -7.689 8.240 1.00 0.00 N ATOM 1225 CA LYS A 133 -10.328 -8.414 7.361 1.00 0.00 C ATOM 1226 C LYS A 133 -10.501 -9.849 7.851 1.00 0.00 C ATOM 1227 O LYS A 133 -11.611 -10.378 7.873 1.00 0.00 O ATOM 1228 CB LYS A 133 -9.775 -8.418 5.932 1.00 0.00 C ATOM 1229 CG LYS A 133 -10.786 -9.067 4.975 1.00 0.00 C ATOM 1230 CD LYS A 133 -11.807 -8.022 4.508 1.00 0.00 C ATOM 1231 CE LYS A 133 -13.140 -8.710 4.209 1.00 0.00 C ATOM 1232 NZ LYS A 133 -14.024 -7.775 3.453 1.00 0.00 N ATOM 0 H LYS A 133 -8.535 -7.421 7.810 1.00 0.00 H new ATOM 0 HA LYS A 133 -11.298 -7.918 7.370 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -9.564 -7.397 5.613 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -8.832 -8.963 5.901 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -10.266 -9.490 4.115 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -11.297 -9.890 5.475 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -11.943 -7.261 5.277 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -11.440 -7.513 3.617 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -12.971 -9.617 3.629 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -13.622 -9.012 5.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -14.930 -8.242 3.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -14.195 -6.922 4.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -13.564 -7.508 2.559 1.00 0.00 H new ATOM 1246 N SER A 134 -9.394 -10.469 8.243 1.00 0.00 N ATOM 1247 CA SER A 134 -9.436 -11.842 8.734 1.00 0.00 C ATOM 1248 C SER A 134 -10.232 -11.917 10.032 1.00 0.00 C ATOM 1249 O SER A 134 -10.945 -12.887 10.281 1.00 0.00 O ATOM 1250 CB SER A 134 -8.016 -12.351 8.978 1.00 0.00 C ATOM 1251 OG SER A 134 -8.073 -13.694 9.440 1.00 0.00 O ATOM 0 H SER A 134 -8.465 -10.048 8.231 1.00 0.00 H new ATOM 0 HA SER A 134 -9.922 -12.465 7.983 1.00 0.00 H new ATOM 0 HB2 SER A 134 -7.434 -12.295 8.058 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.513 -11.722 9.713 1.00 0.00 H new ATOM 0 HG SER A 134 -7.164 -14.025 9.596 1.00 0.00 H new ATOM 1257 N LYS A 135 -10.101 -10.882 10.854 1.00 0.00 N ATOM 1258 CA LYS A 135 -10.810 -10.834 12.125 1.00 0.00 C ATOM 1259 C LYS A 135 -12.268 -10.438 11.910 1.00 0.00 C ATOM 1260 O LYS A 135 -13.148 -10.834 12.675 1.00 0.00 O ATOM 1261 CB LYS A 135 -10.135 -9.822 13.055 1.00 0.00 C ATOM 1262 CG LYS A 135 -8.876 -10.444 13.667 1.00 0.00 C ATOM 1263 CD LYS A 135 -8.249 -9.466 14.666 1.00 0.00 C ATOM 1264 CE LYS A 135 -7.443 -8.400 13.918 1.00 0.00 C ATOM 1265 NZ LYS A 135 -6.635 -7.615 14.893 1.00 0.00 N ATOM 0 H LYS A 135 -9.514 -10.070 10.664 1.00 0.00 H new ATOM 0 HA LYS A 135 -10.779 -11.825 12.579 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -9.874 -8.921 12.500 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -10.825 -9.522 13.844 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -9.127 -11.379 14.168 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -8.160 -10.686 12.882 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -9.029 -8.992 15.262 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -7.601 -10.005 15.358 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -6.790 -8.871 13.184 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -8.114 -7.739 13.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -6.087 -6.891 14.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -7.268 -7.154 15.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -5.985 -8.251 15.397 1.00 0.00 H new