USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 945 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 112 ASN : amide:sc= -0.57 X(o=-1.2,f=-0.81) USER MOD Set 1.2: A 115 ASN : amide:sc= -0.621 K(o=-1.2,f=-5.9!) USER MOD Set 2.1: A 14 SER OG : rot -107:sc= 1.27 USER MOD Set 2.2: A 90 THR OG1 : rot -163:sc= -1.72! USER MOD Set 2.3: A 110 ASN : amide:sc= 1.81 K(o=1.4,f=-0.41) USER MOD Set 3.1: A 80 SER OG : rot 44:sc= 2.02 USER MOD Set 3.2: A 82 ASN : amide:sc= 0.0881 X(o=-0.52,f=-0.47) USER MOD Set 3.3: A 118 GLN : amide:sc= -2.63! C(o=-0.52!,f=-4!) USER MOD Set 4.1: A 16 HIS : no HE2:sc= -1.13 K(o=-1,f=-12!) USER MOD Set 4.2: A 92 SER OG : rot -71:sc= 0.0751 USER MOD Set 4.3: A 108 CYS SG : rot 127:sc= 0.0283 USER MOD Set 5.1: A 5 ASN : amide:sc= -2.95! C(o=-4.7!,f=-5.6!) USER MOD Set 5.2: A 36 GLN :FLIP amide:sc= -1.72 F(o=-5.6,f=-4.7) USER MOD Single : A 1 GLY N :NH3+ 169:sc= 1.19 (180deg=1.08) USER MOD Single : A 3 MET CE :methyl -160:sc= -0.134 (180deg=-0.57) USER MOD Single : A 7 CYS SG : rot 180:sc= -0.0133 USER MOD Single : A 8 GLN : amide:sc= -1.04 K(o=-1,f=-5.9!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0392 USER MOD Single : A 17 ASN : amide:sc= 0.278 K(o=0.28,f=-3.9!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00121 USER MOD Single : A 27 HIS : no HD1:sc= 0.407 K(o=0.41,f=-4.9!) USER MOD Single : A 29 CYS SG : rot 80:sc= 0.444 USER MOD Single : A 32 THR OG1 : rot 82:sc= -0.347 USER MOD Single : A 35 TYR OH : rot -110:sc= 0.782 USER MOD Single : A 38 GLN : amide:sc= -0.436 K(o=-0.44,f=-1.5) USER MOD Single : A 43 LYS NZ :NH3+ -111:sc= 0.259 (180deg=-0.426) USER MOD Single : A 44 ASN : amide:sc= 0.925 K(o=0.92,f=-0.048) USER MOD Single : A 49 CYS SG : rot -50:sc= -2.97! USER MOD Single : A 50 HIS : no HE2:sc= 0.806 K(o=0.81,f=-6.1!) USER MOD Single : A 54 GLN : amide:sc= -1.58! X(o=-1.6!,f=-1.2) USER MOD Single : A 55 GLN : amide:sc= -0.845 K(o=-0.84,f=-1.7) USER MOD Single : A 60 SER OG : rot 92:sc= 0.883 USER MOD Single : A 62 GLN : amide:sc= -0.936 K(o=-0.94,f=-5.3!) USER MOD Single : A 63 GLN : amide:sc=-0.00774 K(o=-0.0077,f=-0.7) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 175:sc= 0.525 (180deg=0.481) USER MOD Single : A 70 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 73 SER OG : rot 160:sc= 0 USER MOD Single : A 75 MET CE :methyl -169:sc= -1.16 (180deg=-1.54) USER MOD Single : A 81 LYS NZ :NH3+ 165:sc= -0.0329 (180deg=-0.236) USER MOD Single : A 83 GLN : amide:sc= -0.584 X(o=-0.58,f=-0.59) USER MOD Single : A 88 MET CE :methyl 164:sc= -0.0812 (180deg=-0.739) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 13:sc= 0.49! USER MOD Single : A 96 GLN : amide:sc= -1.95! X(o=-2!,f=-1.6) USER MOD Single : A 97 ASN : amide:sc= 1.19 K(o=1.2,f=-0.11) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -158:sc= 1.28 USER MOD Single : A 105 TYR OH : rot 180:sc= 1 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -91:sc= 1.28 USER MOD Single : A 114 LYS NZ :NH3+ 163:sc= -0.0778 (180deg=-0.532) USER MOD Single : A 116 SER OG : rot -52:sc= 1.33 USER MOD Single : A 117 SER OG : rot -111:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.915 20.059 0.175 1.00 0.00 N ATOM 2 CA GLY A 1 2.721 20.174 1.641 1.00 0.00 C ATOM 3 C GLY A 1 1.811 19.095 2.181 1.00 0.00 C ATOM 4 O GLY A 1 1.813 17.966 1.690 1.00 0.00 O ATOM 0 H1 GLY A 1 3.387 20.915 -0.181 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.504 19.227 -0.033 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.991 19.954 -0.290 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.688 20.115 2.140 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.301 21.152 1.875 1.00 0.00 H new ATOM 10 N ALA A 2 1.029 19.440 3.190 1.00 0.00 N ATOM 11 CA ALA A 2 0.069 18.516 3.766 1.00 0.00 C ATOM 12 C ALA A 2 -1.345 18.931 3.390 1.00 0.00 C ATOM 13 O ALA A 2 -1.621 20.120 3.246 1.00 0.00 O ATOM 14 CB ALA A 2 0.226 18.459 5.278 1.00 0.00 C ATOM 0 H ALA A 2 1.041 20.360 3.629 1.00 0.00 H new ATOM 0 HA ALA A 2 0.258 17.520 3.366 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -0.501 17.762 5.693 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.233 18.124 5.527 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.059 19.451 5.699 1.00 0.00 H new ATOM 20 N MET A 3 -2.222 17.938 3.195 1.00 0.00 N ATOM 21 CA MET A 3 -3.633 18.170 2.846 1.00 0.00 C ATOM 22 C MET A 3 -3.790 18.661 1.403 1.00 0.00 C ATOM 23 O MET A 3 -4.878 18.575 0.830 1.00 0.00 O ATOM 24 CB MET A 3 -4.300 19.153 3.824 1.00 0.00 C ATOM 25 CG MET A 3 -5.787 19.347 3.584 1.00 0.00 C ATOM 26 SD MET A 3 -6.557 20.473 4.767 1.00 0.00 S ATOM 27 CE MET A 3 -6.334 19.566 6.295 1.00 0.00 C ATOM 0 H MET A 3 -1.976 16.951 3.274 1.00 0.00 H new ATOM 0 HA MET A 3 -4.140 17.209 2.929 1.00 0.00 H new ATOM 0 HB2 MET A 3 -4.150 18.795 4.842 1.00 0.00 H new ATOM 0 HB3 MET A 3 -3.801 20.119 3.749 1.00 0.00 H new ATOM 0 HG2 MET A 3 -5.939 19.731 2.575 1.00 0.00 H new ATOM 0 HG3 MET A 3 -6.286 18.379 3.635 1.00 0.00 H new ATOM 0 HE1 MET A 3 -7.041 19.930 7.041 1.00 0.00 H new ATOM 0 HE2 MET A 3 -6.509 18.505 6.117 1.00 0.00 H new ATOM 0 HE3 MET A 3 -5.317 19.710 6.658 1.00 0.00 H new ATOM 37 N ASP A 4 -2.712 19.164 0.813 1.00 0.00 N ATOM 38 CA ASP A 4 -2.754 19.622 -0.570 1.00 0.00 C ATOM 39 C ASP A 4 -2.784 18.426 -1.511 1.00 0.00 C ATOM 40 O ASP A 4 -2.134 17.408 -1.255 1.00 0.00 O ATOM 41 CB ASP A 4 -1.555 20.528 -0.902 1.00 0.00 C ATOM 42 CG ASP A 4 -0.353 19.773 -1.449 1.00 0.00 C ATOM 43 OD1 ASP A 4 -0.266 19.606 -2.687 1.00 0.00 O ATOM 44 OD2 ASP A 4 0.512 19.357 -0.651 1.00 0.00 O ATOM 0 H ASP A 4 -1.804 19.265 1.267 1.00 0.00 H new ATOM 0 HA ASP A 4 -3.662 20.211 -0.702 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -1.866 21.276 -1.632 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -1.257 21.066 -0.002 1.00 0.00 H new ATOM 49 N ASN A 5 -3.579 18.548 -2.566 1.00 0.00 N ATOM 50 CA ASN A 5 -3.697 17.523 -3.603 1.00 0.00 C ATOM 51 C ASN A 5 -4.775 17.916 -4.600 1.00 0.00 C ATOM 52 O ASN A 5 -5.753 18.573 -4.239 1.00 0.00 O ATOM 53 CB ASN A 5 -4.022 16.137 -3.022 1.00 0.00 C ATOM 54 CG ASN A 5 -5.241 16.128 -2.115 1.00 0.00 C ATOM 55 OD1 ASN A 5 -6.377 16.020 -2.573 1.00 0.00 O ATOM 56 ND2 ASN A 5 -5.008 16.197 -0.812 1.00 0.00 N ATOM 0 H ASN A 5 -4.166 19.366 -2.730 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.729 17.456 -4.100 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.185 15.438 -3.842 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.160 15.776 -2.461 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.785 16.161 -0.152 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.052 16.286 -0.469 1.00 0.00 H new ATOM 63 N VAL A 6 -4.569 17.543 -5.857 1.00 0.00 N ATOM 64 CA VAL A 6 -5.541 17.782 -6.915 1.00 0.00 C ATOM 65 C VAL A 6 -5.023 17.222 -8.239 1.00 0.00 C ATOM 66 O VAL A 6 -3.856 17.420 -8.587 1.00 0.00 O ATOM 67 CB VAL A 6 -5.871 19.292 -7.071 1.00 0.00 C ATOM 68 CG1 VAL A 6 -4.621 20.106 -7.374 1.00 0.00 C ATOM 69 CG2 VAL A 6 -6.929 19.508 -8.144 1.00 0.00 C ATOM 0 H VAL A 6 -3.724 17.067 -6.171 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.462 17.270 -6.636 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.272 19.642 -6.120 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.888 21.158 -7.477 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.906 19.991 -6.560 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.173 19.753 -8.303 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.143 20.573 -8.235 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.562 19.129 -9.098 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.840 18.977 -7.869 1.00 0.00 H new ATOM 79 N CYS A 7 -5.886 16.487 -8.943 1.00 0.00 N ATOM 80 CA CYS A 7 -5.566 15.932 -10.258 1.00 0.00 C ATOM 81 C CYS A 7 -4.291 15.090 -10.206 1.00 0.00 C ATOM 82 O CYS A 7 -3.250 15.479 -10.739 1.00 0.00 O ATOM 83 CB CYS A 7 -5.424 17.060 -11.288 1.00 0.00 C ATOM 84 SG CYS A 7 -5.198 16.496 -12.992 1.00 0.00 S ATOM 0 H CYS A 7 -6.826 16.260 -8.617 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.385 15.279 -10.561 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.312 17.691 -11.242 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.575 17.684 -11.010 1.00 0.00 H new ATOM 0 HG CYS A 7 -5.091 17.525 -13.779 1.00 0.00 H new ATOM 90 N GLN A 8 -4.371 13.943 -9.553 1.00 0.00 N ATOM 91 CA GLN A 8 -3.222 13.059 -9.421 1.00 0.00 C ATOM 92 C GLN A 8 -3.494 11.710 -10.085 1.00 0.00 C ATOM 93 O GLN A 8 -4.640 11.271 -10.169 1.00 0.00 O ATOM 94 CB GLN A 8 -2.884 12.863 -7.940 1.00 0.00 C ATOM 95 CG GLN A 8 -2.392 14.128 -7.244 1.00 0.00 C ATOM 96 CD GLN A 8 -1.008 14.568 -7.703 1.00 0.00 C ATOM 97 OE1 GLN A 8 -0.602 14.320 -8.838 1.00 0.00 O ATOM 98 NE2 GLN A 8 -0.276 15.231 -6.821 1.00 0.00 N ATOM 0 H GLN A 8 -5.221 13.600 -9.105 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.371 13.519 -9.924 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.770 12.496 -7.421 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.120 12.091 -7.851 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.102 14.935 -7.427 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.373 13.958 -6.167 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.646 15.418 -5.889 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.658 15.555 -7.074 1.00 0.00 H new ATOM 107 N PRO A 9 -2.436 11.058 -10.603 1.00 0.00 N ATOM 108 CA PRO A 9 -2.523 9.702 -11.171 1.00 0.00 C ATOM 109 C PRO A 9 -2.995 8.664 -10.147 1.00 0.00 C ATOM 110 O PRO A 9 -2.877 8.873 -8.940 1.00 0.00 O ATOM 111 CB PRO A 9 -1.085 9.398 -11.599 1.00 0.00 C ATOM 112 CG PRO A 9 -0.435 10.729 -11.744 1.00 0.00 C ATOM 113 CD PRO A 9 -1.079 11.611 -10.715 1.00 0.00 C ATOM 0 HA PRO A 9 -3.248 9.655 -11.984 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.573 8.788 -10.855 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.062 8.843 -12.537 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.641 10.659 -11.581 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.580 11.128 -12.748 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.549 11.573 -9.763 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.094 12.654 -11.031 1.00 0.00 H new ATOM 121 N THR A 10 -3.490 7.531 -10.639 1.00 0.00 N ATOM 122 CA THR A 10 -4.102 6.520 -9.785 1.00 0.00 C ATOM 123 C THR A 10 -3.082 5.544 -9.195 1.00 0.00 C ATOM 124 O THR A 10 -3.443 4.466 -8.722 1.00 0.00 O ATOM 125 CB THR A 10 -5.178 5.738 -10.554 1.00 0.00 C ATOM 126 OG1 THR A 10 -4.754 5.530 -11.910 1.00 0.00 O ATOM 127 CG2 THR A 10 -6.506 6.481 -10.530 1.00 0.00 C ATOM 0 H THR A 10 -3.478 7.291 -11.630 1.00 0.00 H new ATOM 0 HA THR A 10 -4.560 7.058 -8.955 1.00 0.00 H new ATOM 0 HB THR A 10 -5.317 4.772 -10.069 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.443 5.030 -12.395 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.253 5.909 -11.080 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.834 6.607 -9.498 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.384 7.460 -10.994 1.00 0.00 H new ATOM 135 N GLU A 11 -1.816 5.920 -9.214 1.00 0.00 N ATOM 136 CA GLU A 11 -0.788 5.137 -8.546 1.00 0.00 C ATOM 137 C GLU A 11 -0.032 6.015 -7.569 1.00 0.00 C ATOM 138 O GLU A 11 0.389 7.117 -7.918 1.00 0.00 O ATOM 139 CB GLU A 11 0.193 4.544 -9.557 1.00 0.00 C ATOM 140 CG GLU A 11 -0.410 3.477 -10.450 1.00 0.00 C ATOM 141 CD GLU A 11 0.604 2.890 -11.405 1.00 0.00 C ATOM 142 OE1 GLU A 11 1.425 2.058 -10.973 1.00 0.00 O ATOM 143 OE2 GLU A 11 0.580 3.255 -12.597 1.00 0.00 O ATOM 0 H GLU A 11 -1.474 6.759 -9.682 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.274 4.320 -8.013 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.585 5.347 -10.182 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.039 4.117 -9.019 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.827 2.682 -9.832 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.236 3.905 -11.018 1.00 0.00 H new ATOM 150 N PHE A 12 0.171 5.519 -6.360 1.00 0.00 N ATOM 151 CA PHE A 12 0.877 6.285 -5.348 1.00 0.00 C ATOM 152 C PHE A 12 1.948 5.437 -4.691 1.00 0.00 C ATOM 153 O PHE A 12 1.871 4.208 -4.693 1.00 0.00 O ATOM 154 CB PHE A 12 -0.090 6.861 -4.294 1.00 0.00 C ATOM 155 CG PHE A 12 -0.735 5.859 -3.366 1.00 0.00 C ATOM 156 CD1 PHE A 12 -1.876 5.168 -3.743 1.00 0.00 C ATOM 157 CD2 PHE A 12 -0.213 5.635 -2.100 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.483 4.275 -2.878 1.00 0.00 C ATOM 159 CE2 PHE A 12 -0.813 4.738 -1.232 1.00 0.00 C ATOM 160 CZ PHE A 12 -1.950 4.058 -1.620 1.00 0.00 C ATOM 0 H PHE A 12 -0.141 4.596 -6.057 1.00 0.00 H new ATOM 0 HA PHE A 12 1.358 7.128 -5.845 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.454 7.587 -3.690 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.879 7.405 -4.813 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.297 5.329 -4.725 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.673 6.167 -1.787 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.374 3.747 -3.185 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.391 4.571 -0.252 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.421 3.360 -0.944 1.00 0.00 H new ATOM 170 N ILE A 13 2.960 6.102 -4.162 1.00 0.00 N ATOM 171 CA ILE A 13 4.042 5.420 -3.483 1.00 0.00 C ATOM 172 C ILE A 13 3.826 5.484 -1.980 1.00 0.00 C ATOM 173 O ILE A 13 3.743 6.569 -1.398 1.00 0.00 O ATOM 174 CB ILE A 13 5.411 6.042 -3.835 1.00 0.00 C ATOM 175 CG1 ILE A 13 5.622 6.026 -5.350 1.00 0.00 C ATOM 176 CG2 ILE A 13 6.534 5.288 -3.131 1.00 0.00 C ATOM 177 CD1 ILE A 13 6.903 6.696 -5.799 1.00 0.00 C ATOM 0 H ILE A 13 3.053 7.117 -4.191 1.00 0.00 H new ATOM 0 HA ILE A 13 4.045 4.382 -3.814 1.00 0.00 H new ATOM 0 HB ILE A 13 5.425 7.077 -3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.624 4.992 -5.696 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.777 6.521 -5.830 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.492 5.738 -3.389 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.387 5.341 -2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.526 4.245 -3.448 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.980 6.643 -6.885 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.897 7.740 -5.486 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.756 6.188 -5.350 1.00 0.00 H new ATOM 189 N SER A 14 3.717 4.322 -1.362 1.00 0.00 N ATOM 190 CA SER A 14 3.516 4.241 0.065 1.00 0.00 C ATOM 191 C SER A 14 4.796 3.788 0.754 1.00 0.00 C ATOM 192 O SER A 14 5.260 2.657 0.574 1.00 0.00 O ATOM 193 CB SER A 14 2.357 3.291 0.387 1.00 0.00 C ATOM 194 OG SER A 14 2.542 2.016 -0.209 1.00 0.00 O ATOM 0 H SER A 14 3.765 3.419 -1.833 1.00 0.00 H new ATOM 0 HA SER A 14 3.259 5.232 0.440 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.268 3.178 1.468 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.422 3.725 0.034 1.00 0.00 H new ATOM 0 HG SER A 14 1.924 1.914 -0.963 1.00 0.00 H new ATOM 200 N ARG A 15 5.373 4.676 1.539 1.00 0.00 N ATOM 201 CA ARG A 15 6.570 4.364 2.286 1.00 0.00 C ATOM 202 C ARG A 15 6.134 3.980 3.687 1.00 0.00 C ATOM 203 O ARG A 15 5.742 4.838 4.479 1.00 0.00 O ATOM 204 CB ARG A 15 7.493 5.584 2.308 1.00 0.00 C ATOM 205 CG ARG A 15 8.965 5.264 2.503 1.00 0.00 C ATOM 206 CD ARG A 15 9.806 6.523 2.370 1.00 0.00 C ATOM 207 NE ARG A 15 11.237 6.237 2.275 1.00 0.00 N ATOM 208 CZ ARG A 15 12.146 7.128 1.866 1.00 0.00 C ATOM 209 NH1 ARG A 15 11.767 8.352 1.511 1.00 0.00 N ATOM 210 NH2 ARG A 15 13.432 6.799 1.810 1.00 0.00 N ATOM 0 H ARG A 15 5.027 5.626 1.675 1.00 0.00 H new ATOM 0 HA ARG A 15 7.124 3.543 1.831 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.375 6.129 1.371 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.171 6.251 3.108 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.119 4.819 3.486 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.284 4.527 1.766 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.490 7.074 1.484 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.625 7.169 3.229 1.00 0.00 H new ATOM 0 HE ARG A 15 11.560 5.305 2.535 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.782 8.612 1.551 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.462 9.031 1.199 1.00 0.00 H new ATOM 0 HH21 ARG A 15 13.731 5.862 2.080 1.00 0.00 H new ATOM 0 HH22 ARG A 15 14.120 7.484 1.497 1.00 0.00 H new ATOM 224 N HIS A 16 6.152 2.693 3.983 1.00 0.00 N ATOM 225 CA HIS A 16 5.530 2.210 5.202 1.00 0.00 C ATOM 226 C HIS A 16 6.396 1.196 5.931 1.00 0.00 C ATOM 227 O HIS A 16 7.244 0.537 5.338 1.00 0.00 O ATOM 228 CB HIS A 16 4.131 1.630 4.911 1.00 0.00 C ATOM 229 CG HIS A 16 4.081 0.475 3.952 1.00 0.00 C ATOM 230 ND1 HIS A 16 2.923 -0.236 3.712 1.00 0.00 N ATOM 231 CD2 HIS A 16 5.030 -0.085 3.163 1.00 0.00 C ATOM 232 CE1 HIS A 16 3.165 -1.181 2.822 1.00 0.00 C ATOM 233 NE2 HIS A 16 4.433 -1.111 2.471 1.00 0.00 N ATOM 0 H HIS A 16 6.584 1.972 3.405 1.00 0.00 H new ATOM 0 HA HIS A 16 5.420 3.068 5.865 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.688 1.312 5.855 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.503 2.430 4.518 1.00 0.00 H new ATOM 0 HD1 HIS A 16 2.021 -0.059 4.153 1.00 0.00 H new ATOM 0 HD2 HIS A 16 6.064 0.219 3.091 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.445 -1.892 2.445 1.00 0.00 H new ATOM 242 N ASN A 17 6.155 1.076 7.225 1.00 0.00 N ATOM 243 CA ASN A 17 6.898 0.160 8.067 1.00 0.00 C ATOM 244 C ASN A 17 6.261 -1.222 7.991 1.00 0.00 C ATOM 245 O ASN A 17 5.088 -1.340 7.628 1.00 0.00 O ATOM 246 CB ASN A 17 6.922 0.666 9.514 1.00 0.00 C ATOM 247 CG ASN A 17 7.799 -0.192 10.402 1.00 0.00 C ATOM 248 OD1 ASN A 17 8.773 -0.783 9.939 1.00 0.00 O ATOM 249 ND2 ASN A 17 7.465 -0.270 11.679 1.00 0.00 N ATOM 0 H ASN A 17 5.440 1.610 7.719 1.00 0.00 H new ATOM 0 HA ASN A 17 7.928 0.098 7.715 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.284 1.694 9.532 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.907 0.678 9.910 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.023 -0.836 12.318 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.649 0.236 12.025 1.00 0.00 H new ATOM 256 N ILE A 18 7.038 -2.243 8.360 1.00 0.00 N ATOM 257 CA ILE A 18 6.711 -3.654 8.108 1.00 0.00 C ATOM 258 C ILE A 18 5.373 -4.092 8.704 1.00 0.00 C ATOM 259 O ILE A 18 4.848 -5.145 8.342 1.00 0.00 O ATOM 260 CB ILE A 18 7.815 -4.592 8.643 1.00 0.00 C ATOM 261 CG1 ILE A 18 7.958 -4.450 10.163 1.00 0.00 C ATOM 262 CG2 ILE A 18 9.141 -4.300 7.948 1.00 0.00 C ATOM 263 CD1 ILE A 18 8.912 -5.451 10.779 1.00 0.00 C ATOM 0 H ILE A 18 7.924 -2.114 8.849 1.00 0.00 H new ATOM 0 HA ILE A 18 6.637 -3.733 7.023 1.00 0.00 H new ATOM 0 HB ILE A 18 7.529 -5.621 8.425 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.303 -3.442 10.394 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.977 -4.565 10.624 1.00 0.00 H new ATOM 0 HG21 ILE A 18 9.910 -4.969 8.335 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.031 -4.456 6.875 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.431 -3.266 8.137 1.00 0.00 H new ATOM 0 HD11 ILE A 18 8.963 -5.290 11.856 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.557 -6.462 10.579 1.00 0.00 H new ATOM 0 HD13 ILE A 18 9.904 -5.322 10.346 1.00 0.00 H new ATOM 275 N GLU A 19 4.831 -3.300 9.617 1.00 0.00 N ATOM 276 CA GLU A 19 3.531 -3.594 10.210 1.00 0.00 C ATOM 277 C GLU A 19 2.411 -3.087 9.305 1.00 0.00 C ATOM 278 O GLU A 19 1.228 -3.249 9.604 1.00 0.00 O ATOM 279 CB GLU A 19 3.424 -2.940 11.586 1.00 0.00 C ATOM 280 CG GLU A 19 4.582 -3.275 12.509 1.00 0.00 C ATOM 281 CD GLU A 19 4.470 -2.582 13.847 1.00 0.00 C ATOM 282 OE1 GLU A 19 4.552 -1.338 13.882 1.00 0.00 O ATOM 283 OE2 GLU A 19 4.289 -3.277 14.870 1.00 0.00 O ATOM 0 H GLU A 19 5.270 -2.448 9.965 1.00 0.00 H new ATOM 0 HA GLU A 19 3.433 -4.674 10.320 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.370 -1.858 11.462 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.492 -3.254 12.057 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.620 -4.353 12.663 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.519 -2.988 12.031 1.00 0.00 H new ATOM 290 N GLY A 20 2.797 -2.452 8.207 1.00 0.00 N ATOM 291 CA GLY A 20 1.830 -1.904 7.289 1.00 0.00 C ATOM 292 C GLY A 20 1.537 -0.456 7.603 1.00 0.00 C ATOM 293 O GLY A 20 0.621 0.133 7.034 1.00 0.00 O ATOM 0 H GLY A 20 3.770 -2.308 7.938 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.205 -1.989 6.269 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.908 -2.483 7.339 1.00 0.00 H new ATOM 297 N ILE A 21 2.340 0.120 8.492 1.00 0.00 N ATOM 298 CA ILE A 21 2.111 1.479 8.981 1.00 0.00 C ATOM 299 C ILE A 21 2.672 2.501 8.008 1.00 0.00 C ATOM 300 O ILE A 21 3.876 2.531 7.767 1.00 0.00 O ATOM 301 CB ILE A 21 2.764 1.702 10.369 1.00 0.00 C ATOM 302 CG1 ILE A 21 2.115 0.809 11.429 1.00 0.00 C ATOM 303 CG2 ILE A 21 2.671 3.167 10.780 1.00 0.00 C ATOM 304 CD1 ILE A 21 0.669 1.157 11.714 1.00 0.00 C ATOM 0 H ILE A 21 3.161 -0.335 8.892 1.00 0.00 H new ATOM 0 HA ILE A 21 1.032 1.607 9.072 1.00 0.00 H new ATOM 0 HB ILE A 21 3.817 1.431 10.291 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.172 -0.229 11.102 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.687 0.883 12.354 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.135 3.301 11.757 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.187 3.785 10.045 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.624 3.464 10.832 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.276 0.483 12.475 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.606 2.185 12.072 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.083 1.055 10.800 1.00 0.00 H new ATOM 316 N PHE A 22 1.806 3.333 7.455 1.00 0.00 N ATOM 317 CA PHE A 22 2.231 4.351 6.505 1.00 0.00 C ATOM 318 C PHE A 22 2.915 5.504 7.230 1.00 0.00 C ATOM 319 O PHE A 22 2.283 6.220 8.006 1.00 0.00 O ATOM 320 CB PHE A 22 1.034 4.867 5.709 1.00 0.00 C ATOM 321 CG PHE A 22 0.345 3.807 4.899 1.00 0.00 C ATOM 322 CD1 PHE A 22 0.837 3.435 3.660 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.795 3.184 5.377 1.00 0.00 C ATOM 324 CE1 PHE A 22 0.203 2.462 2.912 1.00 0.00 C ATOM 325 CE2 PHE A 22 -1.433 2.212 4.634 1.00 0.00 C ATOM 326 CZ PHE A 22 -0.934 1.851 3.399 1.00 0.00 C ATOM 0 H PHE A 22 0.804 3.325 7.646 1.00 0.00 H new ATOM 0 HA PHE A 22 2.944 3.901 5.814 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.315 5.310 6.398 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.368 5.662 5.042 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.726 3.911 3.274 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.190 3.462 6.343 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.597 2.180 1.947 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.322 1.734 5.019 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.433 1.092 2.815 1.00 0.00 H new ATOM 336 N THR A 23 4.209 5.664 6.988 1.00 0.00 N ATOM 337 CA THR A 23 4.968 6.747 7.589 1.00 0.00 C ATOM 338 C THR A 23 5.097 7.918 6.618 1.00 0.00 C ATOM 339 O THR A 23 5.133 9.078 7.030 1.00 0.00 O ATOM 340 CB THR A 23 6.367 6.277 8.033 1.00 0.00 C ATOM 341 OG1 THR A 23 7.006 5.553 6.974 1.00 0.00 O ATOM 342 CG2 THR A 23 6.279 5.396 9.270 1.00 0.00 C ATOM 0 H THR A 23 4.754 5.055 6.378 1.00 0.00 H new ATOM 0 HA THR A 23 4.423 7.076 8.473 1.00 0.00 H new ATOM 0 HB THR A 23 6.957 7.161 8.276 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.894 5.261 7.267 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.280 5.078 9.562 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.824 5.958 10.086 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.670 4.519 9.050 1.00 0.00 H new ATOM 350 N PHE A 24 5.163 7.609 5.328 1.00 0.00 N ATOM 351 CA PHE A 24 5.197 8.634 4.297 1.00 0.00 C ATOM 352 C PHE A 24 4.335 8.220 3.109 1.00 0.00 C ATOM 353 O PHE A 24 4.519 7.144 2.540 1.00 0.00 O ATOM 354 CB PHE A 24 6.637 8.897 3.842 1.00 0.00 C ATOM 355 CG PHE A 24 6.749 9.973 2.800 1.00 0.00 C ATOM 356 CD1 PHE A 24 6.702 11.312 3.160 1.00 0.00 C ATOM 357 CD2 PHE A 24 6.894 9.648 1.460 1.00 0.00 C ATOM 358 CE1 PHE A 24 6.801 12.304 2.204 1.00 0.00 C ATOM 359 CE2 PHE A 24 6.992 10.635 0.500 1.00 0.00 C ATOM 360 CZ PHE A 24 6.945 11.965 0.873 1.00 0.00 C ATOM 0 H PHE A 24 5.194 6.653 4.973 1.00 0.00 H new ATOM 0 HA PHE A 24 4.795 9.556 4.717 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.238 9.176 4.707 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.059 7.973 3.446 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.587 11.582 4.199 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.931 8.610 1.164 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.766 13.343 2.497 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.105 10.369 -0.540 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.021 12.739 0.124 1.00 0.00 H new ATOM 370 N VAL A 25 3.387 9.068 2.748 1.00 0.00 N ATOM 371 CA VAL A 25 2.473 8.770 1.653 1.00 0.00 C ATOM 372 C VAL A 25 2.495 9.875 0.606 1.00 0.00 C ATOM 373 O VAL A 25 2.444 11.061 0.942 1.00 0.00 O ATOM 374 CB VAL A 25 1.028 8.593 2.165 1.00 0.00 C ATOM 375 CG1 VAL A 25 0.063 8.384 1.006 1.00 0.00 C ATOM 376 CG2 VAL A 25 0.944 7.433 3.142 1.00 0.00 C ATOM 0 H VAL A 25 3.228 9.970 3.197 1.00 0.00 H new ATOM 0 HA VAL A 25 2.810 7.837 1.201 1.00 0.00 H new ATOM 0 HB VAL A 25 0.741 9.506 2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.949 8.262 1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.096 9.249 0.344 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.350 7.491 0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.083 7.325 3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.257 6.515 2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.598 7.625 3.992 1.00 0.00 H new ATOM 386 N ASP A 26 2.584 9.481 -0.658 1.00 0.00 N ATOM 387 CA ASP A 26 2.517 10.421 -1.769 1.00 0.00 C ATOM 388 C ASP A 26 1.084 10.918 -1.960 1.00 0.00 C ATOM 389 O ASP A 26 0.126 10.187 -1.723 1.00 0.00 O ATOM 390 CB ASP A 26 3.010 9.735 -3.049 1.00 0.00 C ATOM 391 CG ASP A 26 2.991 10.650 -4.259 1.00 0.00 C ATOM 392 OD1 ASP A 26 1.901 10.905 -4.802 1.00 0.00 O ATOM 393 OD2 ASP A 26 4.069 11.104 -4.688 1.00 0.00 O ATOM 0 H ASP A 26 2.704 8.508 -0.940 1.00 0.00 H new ATOM 0 HA ASP A 26 3.154 11.278 -1.549 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.026 9.372 -2.891 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.387 8.863 -3.250 1.00 0.00 H new ATOM 398 N HIS A 27 0.963 12.166 -2.408 1.00 0.00 N ATOM 399 CA HIS A 27 -0.326 12.859 -2.531 1.00 0.00 C ATOM 400 C HIS A 27 -1.292 12.157 -3.478 1.00 0.00 C ATOM 401 O HIS A 27 -2.491 12.430 -3.449 1.00 0.00 O ATOM 402 CB HIS A 27 -0.103 14.284 -3.030 1.00 0.00 C ATOM 403 CG HIS A 27 0.681 15.145 -2.095 1.00 0.00 C ATOM 404 ND1 HIS A 27 1.993 15.491 -2.317 1.00 0.00 N ATOM 405 CD2 HIS A 27 0.329 15.746 -0.938 1.00 0.00 C ATOM 406 CE1 HIS A 27 2.412 16.259 -1.335 1.00 0.00 C ATOM 407 NE2 HIS A 27 1.422 16.433 -0.484 1.00 0.00 N ATOM 0 H HIS A 27 1.760 12.732 -2.699 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.774 12.858 -1.537 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.414 14.244 -3.989 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -1.072 14.750 -3.209 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -0.638 15.694 -0.459 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.403 16.677 -1.242 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.463 16.988 0.371 1.00 0.00 H new ATOM 416 N ARG A 28 -0.774 11.270 -4.320 1.00 0.00 N ATOM 417 CA ARG A 28 -1.605 10.529 -5.267 1.00 0.00 C ATOM 418 C ARG A 28 -2.526 9.542 -4.551 1.00 0.00 C ATOM 419 O ARG A 28 -3.404 8.943 -5.169 1.00 0.00 O ATOM 420 CB ARG A 28 -0.719 9.811 -6.289 1.00 0.00 C ATOM 421 CG ARG A 28 -0.152 10.746 -7.347 1.00 0.00 C ATOM 422 CD ARG A 28 1.002 10.116 -8.106 1.00 0.00 C ATOM 423 NE ARG A 28 2.244 10.159 -7.339 1.00 0.00 N ATOM 424 CZ ARG A 28 3.439 9.832 -7.832 1.00 0.00 C ATOM 425 NH1 ARG A 28 3.549 9.383 -9.077 1.00 0.00 N ATOM 426 NH2 ARG A 28 4.527 9.958 -7.079 1.00 0.00 N ATOM 0 H ARG A 28 0.220 11.045 -4.368 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.242 11.240 -5.793 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.103 9.321 -5.768 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.299 9.028 -6.778 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.940 11.020 -8.048 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.186 11.667 -6.872 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.758 9.081 -8.345 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.142 10.637 -9.053 1.00 0.00 H new ATOM 0 HE ARG A 28 2.194 10.458 -6.365 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.717 9.287 -9.660 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.465 9.134 -9.450 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.448 10.305 -6.123 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.441 9.708 -7.457 1.00 0.00 H new ATOM 440 N CYS A 29 -2.333 9.398 -3.241 1.00 0.00 N ATOM 441 CA CYS A 29 -3.188 8.548 -2.415 1.00 0.00 C ATOM 442 C CYS A 29 -4.648 8.974 -2.508 1.00 0.00 C ATOM 443 O CYS A 29 -5.560 8.141 -2.483 1.00 0.00 O ATOM 444 CB CYS A 29 -2.720 8.600 -0.965 1.00 0.00 C ATOM 445 SG CYS A 29 -2.630 10.273 -0.293 1.00 0.00 S ATOM 0 H CYS A 29 -1.586 9.863 -2.726 1.00 0.00 H new ATOM 0 HA CYS A 29 -3.112 7.526 -2.786 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.399 8.007 -0.352 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.737 8.135 -0.893 1.00 0.00 H new ATOM 0 HG CYS A 29 -3.819 10.665 0.056 1.00 0.00 H new ATOM 451 N VAL A 30 -4.860 10.273 -2.636 1.00 0.00 N ATOM 452 CA VAL A 30 -6.200 10.821 -2.701 1.00 0.00 C ATOM 453 C VAL A 30 -6.892 10.371 -3.980 1.00 0.00 C ATOM 454 O VAL A 30 -8.089 10.095 -3.989 1.00 0.00 O ATOM 455 CB VAL A 30 -6.171 12.365 -2.621 1.00 0.00 C ATOM 456 CG1 VAL A 30 -5.295 12.811 -1.463 1.00 0.00 C ATOM 457 CG2 VAL A 30 -5.687 12.995 -3.921 1.00 0.00 C ATOM 0 H VAL A 30 -4.116 10.969 -2.697 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.762 10.447 -1.845 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.193 12.705 -2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.281 13.900 -1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.694 12.412 -0.530 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.280 12.442 -1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.683 14.080 -3.820 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.678 12.647 -4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.354 12.709 -4.734 1.00 0.00 H new ATOM 467 N ALA A 31 -6.116 10.249 -5.047 1.00 0.00 N ATOM 468 CA ALA A 31 -6.659 9.899 -6.346 1.00 0.00 C ATOM 469 C ALA A 31 -6.928 8.408 -6.442 1.00 0.00 C ATOM 470 O ALA A 31 -8.023 7.993 -6.825 1.00 0.00 O ATOM 471 CB ALA A 31 -5.712 10.335 -7.446 1.00 0.00 C ATOM 0 H ALA A 31 -5.106 10.388 -5.036 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.607 10.422 -6.469 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.132 10.066 -8.415 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.571 11.415 -7.398 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.751 9.838 -7.317 1.00 0.00 H new ATOM 477 N THR A 32 -5.920 7.610 -6.107 1.00 0.00 N ATOM 478 CA THR A 32 -6.049 6.161 -6.114 1.00 0.00 C ATOM 479 C THR A 32 -7.233 5.674 -5.282 1.00 0.00 C ATOM 480 O THR A 32 -8.017 4.844 -5.739 1.00 0.00 O ATOM 481 CB THR A 32 -4.760 5.509 -5.586 1.00 0.00 C ATOM 482 OG1 THR A 32 -3.630 6.043 -6.281 1.00 0.00 O ATOM 483 CG2 THR A 32 -4.795 4.000 -5.768 1.00 0.00 C ATOM 0 H THR A 32 -4.999 7.947 -5.826 1.00 0.00 H new ATOM 0 HA THR A 32 -6.224 5.868 -7.149 1.00 0.00 H new ATOM 0 HB THR A 32 -4.680 5.728 -4.521 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.379 6.904 -5.885 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.871 3.566 -5.386 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.643 3.587 -5.222 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.896 3.764 -6.827 1.00 0.00 H new ATOM 491 N VAL A 33 -7.376 6.189 -4.064 1.00 0.00 N ATOM 492 CA VAL A 33 -8.391 5.666 -3.163 1.00 0.00 C ATOM 493 C VAL A 33 -9.247 6.756 -2.521 1.00 0.00 C ATOM 494 O VAL A 33 -10.437 6.542 -2.296 1.00 0.00 O ATOM 495 CB VAL A 33 -7.781 4.766 -2.067 1.00 0.00 C ATOM 496 CG1 VAL A 33 -7.265 3.477 -2.680 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.667 5.483 -1.312 1.00 0.00 C ATOM 0 H VAL A 33 -6.814 6.952 -3.686 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.046 5.063 -3.791 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.566 4.529 -1.348 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.837 2.849 -1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.088 2.948 -3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.500 3.707 -3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.260 4.820 -0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.876 5.762 -2.009 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.067 6.380 -0.839 1.00 0.00 H new ATOM 507 N GLY A 34 -8.677 7.918 -2.237 1.00 0.00 N ATOM 508 CA GLY A 34 -9.458 8.945 -1.576 1.00 0.00 C ATOM 509 C GLY A 34 -8.882 9.392 -0.250 1.00 0.00 C ATOM 510 O GLY A 34 -9.345 10.376 0.324 1.00 0.00 O ATOM 0 H GLY A 34 -7.710 8.166 -2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.538 9.809 -2.236 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.469 8.572 -1.415 1.00 0.00 H new ATOM 514 N TYR A 35 -7.902 8.664 0.267 1.00 0.00 N ATOM 515 CA TYR A 35 -7.275 9.059 1.519 1.00 0.00 C ATOM 516 C TYR A 35 -6.223 10.109 1.261 1.00 0.00 C ATOM 517 O TYR A 35 -5.444 10.001 0.321 1.00 0.00 O ATOM 518 CB TYR A 35 -6.631 7.880 2.248 1.00 0.00 C ATOM 519 CG TYR A 35 -7.597 6.777 2.613 1.00 0.00 C ATOM 520 CD1 TYR A 35 -8.839 7.076 3.155 1.00 0.00 C ATOM 521 CD2 TYR A 35 -7.263 5.441 2.433 1.00 0.00 C ATOM 522 CE1 TYR A 35 -9.722 6.079 3.508 1.00 0.00 C ATOM 523 CE2 TYR A 35 -8.141 4.435 2.783 1.00 0.00 C ATOM 524 CZ TYR A 35 -9.372 4.761 3.323 1.00 0.00 C ATOM 525 OH TYR A 35 -10.254 3.770 3.675 1.00 0.00 O ATOM 0 H TYR A 35 -7.530 7.812 -0.152 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.065 9.457 2.156 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.843 7.465 1.619 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.154 8.246 3.157 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.118 8.109 3.303 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.302 5.185 2.013 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -10.685 6.331 3.928 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.869 3.400 2.636 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.917 3.298 4.465 1.00 0.00 H new ATOM 535 N GLN A 36 -6.195 11.115 2.106 1.00 0.00 N ATOM 536 CA GLN A 36 -5.191 12.150 1.993 1.00 0.00 C ATOM 537 C GLN A 36 -3.932 11.661 2.696 1.00 0.00 C ATOM 538 O GLN A 36 -4.027 10.818 3.590 1.00 0.00 O ATOM 539 CB GLN A 36 -5.684 13.465 2.623 1.00 0.00 C ATOM 540 CG GLN A 36 -7.162 13.770 2.385 1.00 0.00 C ATOM 541 CD GLN A 36 -7.532 13.870 0.917 1.00 0.00 C ATOM 542 OE1 GLN A 36 -7.515 15.078 0.378 1.00 0.00 O flip ATOM 543 NE2 GLN A 36 -7.861 12.876 0.281 1.00 0.00 N flip ATOM 0 H GLN A 36 -6.853 11.239 2.876 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.983 12.352 0.942 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.503 13.428 3.697 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.089 14.288 2.227 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.765 12.991 2.851 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.415 14.708 2.880 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.862 11.960 0.730 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.134 12.964 -0.698 1.00 0.00 H new ATOM 552 N PRO A 37 -2.746 12.171 2.310 1.00 0.00 N ATOM 553 CA PRO A 37 -1.463 11.683 2.836 1.00 0.00 C ATOM 554 C PRO A 37 -1.478 11.547 4.351 1.00 0.00 C ATOM 555 O PRO A 37 -1.202 10.480 4.900 1.00 0.00 O ATOM 556 CB PRO A 37 -0.478 12.772 2.405 1.00 0.00 C ATOM 557 CG PRO A 37 -1.070 13.347 1.168 1.00 0.00 C ATOM 558 CD PRO A 37 -2.563 13.266 1.337 1.00 0.00 C ATOM 0 HA PRO A 37 -1.214 10.689 2.465 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.363 13.531 3.179 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.512 12.358 2.215 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.750 14.379 1.027 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.748 12.791 0.288 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.976 14.204 1.708 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.062 13.050 0.392 1.00 0.00 H new ATOM 566 N GLN A 38 -1.888 12.618 5.006 1.00 0.00 N ATOM 567 CA GLN A 38 -1.895 12.677 6.456 1.00 0.00 C ATOM 568 C GLN A 38 -2.872 11.674 7.056 1.00 0.00 C ATOM 569 O GLN A 38 -2.567 11.041 8.066 1.00 0.00 O ATOM 570 CB GLN A 38 -2.231 14.091 6.913 1.00 0.00 C ATOM 571 CG GLN A 38 -1.115 15.079 6.631 1.00 0.00 C ATOM 572 CD GLN A 38 0.152 14.739 7.388 1.00 0.00 C ATOM 573 OE1 GLN A 38 0.102 14.211 8.500 1.00 0.00 O ATOM 574 NE2 GLN A 38 1.294 15.004 6.779 1.00 0.00 N ATOM 0 H GLN A 38 -2.224 13.467 4.551 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.899 12.411 6.811 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.140 14.424 6.412 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.441 14.082 7.983 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.905 15.093 5.561 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.442 16.082 6.904 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.291 15.442 5.858 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.179 14.770 7.230 1.00 0.00 H new ATOM 583 N GLU A 39 -4.014 11.490 6.402 1.00 0.00 N ATOM 584 CA GLU A 39 -5.067 10.641 6.939 1.00 0.00 C ATOM 585 C GLU A 39 -4.632 9.187 6.944 1.00 0.00 C ATOM 586 O GLU A 39 -5.100 8.388 7.758 1.00 0.00 O ATOM 587 CB GLU A 39 -6.354 10.803 6.129 1.00 0.00 C ATOM 588 CG GLU A 39 -6.967 12.188 6.238 1.00 0.00 C ATOM 589 CD GLU A 39 -7.308 12.554 7.666 1.00 0.00 C ATOM 590 OE1 GLU A 39 -8.255 11.959 8.228 1.00 0.00 O ATOM 591 OE2 GLU A 39 -6.621 13.422 8.245 1.00 0.00 O ATOM 0 H GLU A 39 -4.232 11.917 5.502 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.260 10.949 7.966 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.144 10.589 5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.082 10.065 6.466 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.272 12.923 5.833 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.869 12.233 5.628 1.00 0.00 H new ATOM 598 N LEU A 40 -3.724 8.851 6.039 1.00 0.00 N ATOM 599 CA LEU A 40 -3.250 7.489 5.914 1.00 0.00 C ATOM 600 C LEU A 40 -2.093 7.238 6.881 1.00 0.00 C ATOM 601 O LEU A 40 -1.870 6.110 7.325 1.00 0.00 O ATOM 602 CB LEU A 40 -2.821 7.235 4.466 1.00 0.00 C ATOM 603 CG LEU A 40 -2.643 5.769 4.078 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.935 4.996 4.304 1.00 0.00 C ATOM 605 CD2 LEU A 40 -2.207 5.653 2.626 1.00 0.00 C ATOM 0 H LEU A 40 -3.303 9.507 5.382 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.053 6.798 6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.563 7.680 3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.880 7.756 4.288 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.866 5.339 4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.789 3.953 4.022 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.213 5.052 5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.729 5.429 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.085 4.602 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.964 6.101 1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.259 6.174 2.488 1.00 0.00 H new ATOM 617 N LEU A 41 -1.367 8.306 7.214 1.00 0.00 N ATOM 618 CA LEU A 41 -0.227 8.203 8.119 1.00 0.00 C ATOM 619 C LEU A 41 -0.671 7.725 9.495 1.00 0.00 C ATOM 620 O LEU A 41 -1.443 8.395 10.181 1.00 0.00 O ATOM 621 CB LEU A 41 0.494 9.546 8.242 1.00 0.00 C ATOM 622 CG LEU A 41 0.986 10.146 6.926 1.00 0.00 C ATOM 623 CD1 LEU A 41 1.753 11.431 7.180 1.00 0.00 C ATOM 624 CD2 LEU A 41 1.851 9.152 6.174 1.00 0.00 C ATOM 0 H LEU A 41 -1.549 9.249 6.870 1.00 0.00 H new ATOM 0 HA LEU A 41 0.465 7.472 7.700 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.179 10.259 8.718 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.348 9.421 8.907 1.00 0.00 H new ATOM 0 HG LEU A 41 0.117 10.378 6.311 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.096 11.844 6.231 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.102 12.151 7.675 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.613 11.222 7.816 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.191 9.599 5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.714 8.886 6.784 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.270 8.256 5.957 1.00 0.00 H new ATOM 636 N GLY A 42 -0.190 6.554 9.885 1.00 0.00 N ATOM 637 CA GLY A 42 -0.523 6.012 11.185 1.00 0.00 C ATOM 638 C GLY A 42 -1.485 4.845 11.100 1.00 0.00 C ATOM 639 O GLY A 42 -1.786 4.208 12.108 1.00 0.00 O ATOM 0 H GLY A 42 0.427 5.968 9.322 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.390 5.690 11.685 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.963 6.797 11.800 1.00 0.00 H new ATOM 643 N LYS A 43 -1.987 4.574 9.903 1.00 0.00 N ATOM 644 CA LYS A 43 -2.884 3.450 9.687 1.00 0.00 C ATOM 645 C LYS A 43 -2.146 2.296 9.023 1.00 0.00 C ATOM 646 O LYS A 43 -1.116 2.495 8.377 1.00 0.00 O ATOM 647 CB LYS A 43 -4.056 3.883 8.807 1.00 0.00 C ATOM 648 CG LYS A 43 -4.945 4.949 9.432 1.00 0.00 C ATOM 649 CD LYS A 43 -5.977 4.357 10.386 1.00 0.00 C ATOM 650 CE LYS A 43 -5.361 3.887 11.697 1.00 0.00 C ATOM 651 NZ LYS A 43 -4.735 5.007 12.448 1.00 0.00 N ATOM 0 H LYS A 43 -1.787 5.120 9.065 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.259 3.116 10.654 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.666 4.260 7.861 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.664 3.009 8.575 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.325 5.666 9.971 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.457 5.500 8.643 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.743 5.104 10.596 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.475 3.517 9.901 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.130 3.422 12.313 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.611 3.123 11.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.702 4.889 12.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.980 5.910 11.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.085 5.006 13.427 1.00 0.00 H new ATOM 665 N ASN A 44 -2.661 1.088 9.207 1.00 0.00 N ATOM 666 CA ASN A 44 -2.137 -0.078 8.540 1.00 0.00 C ATOM 667 C ASN A 44 -2.846 -0.270 7.212 1.00 0.00 C ATOM 668 O ASN A 44 -4.043 -0.007 7.094 1.00 0.00 O ATOM 669 CB ASN A 44 -2.380 -1.315 9.400 1.00 0.00 C ATOM 670 CG ASN A 44 -1.841 -1.181 10.811 1.00 0.00 C ATOM 671 OD1 ASN A 44 -2.497 -0.613 11.682 1.00 0.00 O ATOM 672 ND2 ASN A 44 -0.661 -1.730 11.057 1.00 0.00 N ATOM 0 H ASN A 44 -3.452 0.897 9.823 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.068 0.061 8.377 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.451 -1.513 9.445 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.916 -2.178 8.922 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.266 -1.690 11.997 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.147 -2.193 10.307 1.00 0.00 H new ATOM 679 N ILE A 45 -2.103 -0.739 6.224 1.00 0.00 N ATOM 680 CA ILE A 45 -2.674 -1.096 4.930 1.00 0.00 C ATOM 681 C ILE A 45 -3.675 -2.242 5.086 1.00 0.00 C ATOM 682 O ILE A 45 -4.546 -2.440 4.247 1.00 0.00 O ATOM 683 CB ILE A 45 -1.562 -1.493 3.926 1.00 0.00 C ATOM 684 CG1 ILE A 45 -2.146 -1.764 2.538 1.00 0.00 C ATOM 685 CG2 ILE A 45 -0.790 -2.708 4.427 1.00 0.00 C ATOM 686 CD1 ILE A 45 -1.096 -2.050 1.486 1.00 0.00 C ATOM 0 H ILE A 45 -1.096 -0.883 6.291 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.196 -0.223 4.538 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.870 -0.655 3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.828 -2.612 2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.736 -0.902 2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.015 -2.969 3.707 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.330 -2.476 5.387 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.473 -3.549 4.546 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.582 -2.233 0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.428 -1.194 1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.521 -2.930 1.775 1.00 0.00 H new ATOM 698 N VAL A 46 -3.556 -2.979 6.190 1.00 0.00 N ATOM 699 CA VAL A 46 -4.446 -4.089 6.476 1.00 0.00 C ATOM 700 C VAL A 46 -5.800 -3.581 6.972 1.00 0.00 C ATOM 701 O VAL A 46 -6.830 -4.213 6.749 1.00 0.00 O ATOM 702 CB VAL A 46 -3.823 -5.033 7.519 1.00 0.00 C ATOM 703 CG1 VAL A 46 -4.733 -6.223 7.799 1.00 0.00 C ATOM 704 CG2 VAL A 46 -2.454 -5.506 7.056 1.00 0.00 C ATOM 0 H VAL A 46 -2.844 -2.820 6.903 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.598 -4.645 5.551 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.705 -4.476 8.449 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.266 -6.872 8.540 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.690 -5.867 8.180 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.895 -6.782 6.877 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.027 -6.173 7.805 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.554 -6.039 6.110 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.799 -4.646 6.920 1.00 0.00 H new ATOM 714 N GLU A 47 -5.797 -2.417 7.623 1.00 0.00 N ATOM 715 CA GLU A 47 -7.036 -1.797 8.087 1.00 0.00 C ATOM 716 C GLU A 47 -7.925 -1.456 6.902 1.00 0.00 C ATOM 717 O GLU A 47 -9.155 -1.474 6.991 1.00 0.00 O ATOM 718 CB GLU A 47 -6.738 -0.525 8.885 1.00 0.00 C ATOM 719 CG GLU A 47 -5.982 -0.783 10.173 1.00 0.00 C ATOM 720 CD GLU A 47 -6.788 -1.571 11.178 1.00 0.00 C ATOM 721 OE1 GLU A 47 -7.538 -0.953 11.961 1.00 0.00 O ATOM 722 OE2 GLU A 47 -6.671 -2.811 11.199 1.00 0.00 O ATOM 0 H GLU A 47 -4.953 -1.887 7.840 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.551 -2.507 8.735 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.158 0.157 8.263 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.677 -0.024 9.118 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.063 -1.324 9.947 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.691 0.170 10.615 1.00 0.00 H new ATOM 729 N PHE A 48 -7.288 -1.149 5.785 1.00 0.00 N ATOM 730 CA PHE A 48 -8.004 -0.824 4.567 1.00 0.00 C ATOM 731 C PHE A 48 -7.840 -1.948 3.559 1.00 0.00 C ATOM 732 O PHE A 48 -8.007 -1.753 2.355 1.00 0.00 O ATOM 733 CB PHE A 48 -7.506 0.499 3.993 1.00 0.00 C ATOM 734 CG PHE A 48 -7.518 1.617 4.995 1.00 0.00 C ATOM 735 CD1 PHE A 48 -8.699 2.000 5.613 1.00 0.00 C ATOM 736 CD2 PHE A 48 -6.350 2.279 5.319 1.00 0.00 C ATOM 737 CE1 PHE A 48 -8.711 3.027 6.536 1.00 0.00 C ATOM 738 CE2 PHE A 48 -6.356 3.307 6.241 1.00 0.00 C ATOM 739 CZ PHE A 48 -7.538 3.681 6.850 1.00 0.00 C ATOM 0 H PHE A 48 -6.272 -1.118 5.698 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.064 -0.713 4.795 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.491 0.366 3.618 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.127 0.776 3.141 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.619 1.490 5.370 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.423 1.990 4.847 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.637 3.317 7.011 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.437 3.818 6.486 1.00 0.00 H new ATOM 0 HZ PHE A 48 -7.544 4.485 7.571 1.00 0.00 H new ATOM 749 N CYS A 49 -7.506 -3.124 4.070 1.00 0.00 N ATOM 750 CA CYS A 49 -7.395 -4.315 3.249 1.00 0.00 C ATOM 751 C CYS A 49 -8.659 -5.149 3.371 1.00 0.00 C ATOM 752 O CYS A 49 -9.166 -5.367 4.477 1.00 0.00 O ATOM 753 CB CYS A 49 -6.186 -5.151 3.669 1.00 0.00 C ATOM 754 SG CYS A 49 -6.063 -6.745 2.827 1.00 0.00 S ATOM 0 H CYS A 49 -7.306 -3.277 5.059 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.263 -4.006 2.212 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.278 -4.579 3.476 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.232 -5.323 4.744 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.203 -7.365 2.902 1.00 0.00 H new ATOM 760 N HIS A 50 -9.181 -5.556 2.219 1.00 0.00 N ATOM 761 CA HIS A 50 -10.331 -6.449 2.143 1.00 0.00 C ATOM 762 C HIS A 50 -10.159 -7.601 3.133 1.00 0.00 C ATOM 763 O HIS A 50 -9.167 -8.318 3.082 1.00 0.00 O ATOM 764 CB HIS A 50 -10.457 -6.974 0.709 1.00 0.00 C ATOM 765 CG HIS A 50 -11.743 -7.677 0.406 1.00 0.00 C ATOM 766 ND1 HIS A 50 -11.805 -8.995 0.012 1.00 0.00 N ATOM 767 CD2 HIS A 50 -13.018 -7.228 0.405 1.00 0.00 C ATOM 768 CE1 HIS A 50 -13.059 -9.326 -0.218 1.00 0.00 C ATOM 769 NE2 HIS A 50 -13.814 -8.272 0.011 1.00 0.00 N ATOM 0 H HIS A 50 -8.817 -5.275 1.309 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.242 -5.911 2.406 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -10.347 -6.137 0.020 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.631 -7.658 0.514 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -11.004 -9.619 -0.087 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.348 -6.233 0.666 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.408 -10.296 -0.539 1.00 0.00 H new ATOM 778 N PRO A 51 -11.124 -7.766 4.059 1.00 0.00 N ATOM 779 CA PRO A 51 -11.027 -8.721 5.181 1.00 0.00 C ATOM 780 C PRO A 51 -10.671 -10.146 4.763 1.00 0.00 C ATOM 781 O PRO A 51 -10.116 -10.911 5.554 1.00 0.00 O ATOM 782 CB PRO A 51 -12.426 -8.683 5.795 1.00 0.00 C ATOM 783 CG PRO A 51 -12.945 -7.331 5.455 1.00 0.00 C ATOM 784 CD PRO A 51 -12.389 -7.009 4.097 1.00 0.00 C ATOM 0 HA PRO A 51 -10.223 -8.440 5.861 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.062 -9.467 5.384 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -12.390 -8.835 6.874 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -14.035 -7.322 5.444 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.628 -6.594 6.192 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.067 -7.318 3.301 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.221 -5.939 3.975 1.00 0.00 H new ATOM 792 N GLU A 52 -10.970 -10.494 3.523 1.00 0.00 N ATOM 793 CA GLU A 52 -10.704 -11.832 3.018 1.00 0.00 C ATOM 794 C GLU A 52 -9.351 -11.890 2.316 1.00 0.00 C ATOM 795 O GLU A 52 -8.898 -12.957 1.903 1.00 0.00 O ATOM 796 CB GLU A 52 -11.812 -12.255 2.061 1.00 0.00 C ATOM 797 CG GLU A 52 -13.195 -12.215 2.685 1.00 0.00 C ATOM 798 CD GLU A 52 -14.289 -12.528 1.693 1.00 0.00 C ATOM 799 OE1 GLU A 52 -14.781 -11.592 1.037 1.00 0.00 O ATOM 800 OE2 GLU A 52 -14.659 -13.710 1.557 1.00 0.00 O ATOM 0 H GLU A 52 -11.399 -9.866 2.844 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.678 -12.521 3.863 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.796 -11.603 1.188 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.610 -13.266 1.707 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.240 -12.930 3.507 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.368 -11.227 3.112 1.00 0.00 H new ATOM 807 N ASP A 53 -8.707 -10.736 2.187 1.00 0.00 N ATOM 808 CA ASP A 53 -7.468 -10.618 1.425 1.00 0.00 C ATOM 809 C ASP A 53 -6.323 -10.315 2.375 1.00 0.00 C ATOM 810 O ASP A 53 -5.184 -10.105 1.955 1.00 0.00 O ATOM 811 CB ASP A 53 -7.562 -9.481 0.388 1.00 0.00 C ATOM 812 CG ASP A 53 -8.707 -9.620 -0.605 1.00 0.00 C ATOM 813 OD1 ASP A 53 -9.646 -10.409 -0.358 1.00 0.00 O ATOM 814 OD2 ASP A 53 -8.689 -8.910 -1.631 1.00 0.00 O ATOM 0 H ASP A 53 -9.025 -9.861 2.604 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.297 -11.559 0.903 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.670 -8.534 0.916 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.624 -9.433 -0.164 1.00 0.00 H new ATOM 819 N GLN A 54 -6.633 -10.296 3.663 1.00 0.00 N ATOM 820 CA GLN A 54 -5.674 -9.888 4.679 1.00 0.00 C ATOM 821 C GLN A 54 -4.523 -10.873 4.796 1.00 0.00 C ATOM 822 O GLN A 54 -3.368 -10.468 4.889 1.00 0.00 O ATOM 823 CB GLN A 54 -6.370 -9.703 6.025 1.00 0.00 C ATOM 824 CG GLN A 54 -7.118 -8.384 6.135 1.00 0.00 C ATOM 825 CD GLN A 54 -7.859 -8.239 7.450 1.00 0.00 C ATOM 826 OE1 GLN A 54 -7.480 -8.829 8.462 1.00 0.00 O ATOM 827 NE2 GLN A 54 -8.902 -7.423 7.452 1.00 0.00 N ATOM 0 H GLN A 54 -7.547 -10.560 4.031 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.251 -8.932 4.370 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.069 -10.524 6.181 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.628 -9.760 6.822 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.412 -7.561 6.028 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.828 -8.304 5.312 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.184 -6.953 6.592 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.424 -7.264 8.314 1.00 0.00 H new ATOM 836 N GLN A 55 -4.827 -12.164 4.778 1.00 0.00 N ATOM 837 CA GLN A 55 -3.784 -13.182 4.817 1.00 0.00 C ATOM 838 C GLN A 55 -3.051 -13.219 3.480 1.00 0.00 C ATOM 839 O GLN A 55 -1.864 -13.527 3.418 1.00 0.00 O ATOM 840 CB GLN A 55 -4.375 -14.552 5.147 1.00 0.00 C ATOM 841 CG GLN A 55 -3.339 -15.661 5.279 1.00 0.00 C ATOM 842 CD GLN A 55 -2.261 -15.356 6.303 1.00 0.00 C ATOM 843 OE1 GLN A 55 -1.205 -14.818 5.974 1.00 0.00 O ATOM 844 NE2 GLN A 55 -2.529 -15.680 7.554 1.00 0.00 N ATOM 0 H GLN A 55 -5.778 -12.530 4.737 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.073 -12.927 5.603 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.934 -14.479 6.080 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.087 -14.826 4.369 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.842 -16.588 5.556 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.872 -15.830 4.309 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.417 -16.125 7.787 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.848 -15.485 8.288 1.00 0.00 H new ATOM 853 N LEU A 56 -3.766 -12.880 2.414 1.00 0.00 N ATOM 854 CA LEU A 56 -3.161 -12.772 1.095 1.00 0.00 C ATOM 855 C LEU A 56 -2.045 -11.733 1.123 1.00 0.00 C ATOM 856 O LEU A 56 -0.928 -11.989 0.657 1.00 0.00 O ATOM 857 CB LEU A 56 -4.224 -12.402 0.054 1.00 0.00 C ATOM 858 CG LEU A 56 -3.729 -12.281 -1.388 1.00 0.00 C ATOM 859 CD1 LEU A 56 -3.084 -13.578 -1.847 1.00 0.00 C ATOM 860 CD2 LEU A 56 -4.880 -11.910 -2.310 1.00 0.00 C ATOM 0 H LEU A 56 -4.765 -12.676 2.439 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.733 -13.735 0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.013 -13.153 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.675 -11.453 0.344 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.978 -11.492 -1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.739 -13.469 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.236 -13.811 -1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.813 -14.386 -1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.514 -11.827 -3.333 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.649 -12.681 -2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.303 -10.955 -1.998 1.00 0.00 H new ATOM 872 N LEU A 57 -2.346 -10.574 1.693 1.00 0.00 N ATOM 873 CA LEU A 57 -1.342 -9.533 1.896 1.00 0.00 C ATOM 874 C LEU A 57 -0.293 -9.982 2.898 1.00 0.00 C ATOM 875 O LEU A 57 0.897 -9.858 2.643 1.00 0.00 O ATOM 876 CB LEU A 57 -1.975 -8.229 2.386 1.00 0.00 C ATOM 877 CG LEU A 57 -2.543 -7.321 1.297 1.00 0.00 C ATOM 878 CD1 LEU A 57 -2.965 -5.991 1.896 1.00 0.00 C ATOM 879 CD2 LEU A 57 -1.516 -7.097 0.202 1.00 0.00 C ATOM 0 H LEU A 57 -3.279 -10.329 2.024 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.871 -9.354 0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.776 -8.474 3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.225 -7.670 2.946 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.415 -7.807 0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.369 -5.350 1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.728 -6.160 2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.101 -5.507 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.938 -6.448 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.628 -6.628 0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.243 -8.054 -0.242 1.00 0.00 H new ATOM 891 N ARG A 58 -0.748 -10.515 4.025 1.00 0.00 N ATOM 892 CA ARG A 58 0.137 -10.927 5.111 1.00 0.00 C ATOM 893 C ARG A 58 1.220 -11.872 4.603 1.00 0.00 C ATOM 894 O ARG A 58 2.411 -11.610 4.764 1.00 0.00 O ATOM 895 CB ARG A 58 -0.684 -11.604 6.208 1.00 0.00 C ATOM 896 CG ARG A 58 0.117 -11.977 7.441 1.00 0.00 C ATOM 897 CD ARG A 58 -0.783 -12.570 8.509 1.00 0.00 C ATOM 898 NE ARG A 58 -0.045 -12.954 9.707 1.00 0.00 N ATOM 899 CZ ARG A 58 -0.615 -13.173 10.888 1.00 0.00 C ATOM 900 NH1 ARG A 58 -1.929 -13.029 11.032 1.00 0.00 N ATOM 901 NH2 ARG A 58 0.128 -13.520 11.930 1.00 0.00 N ATOM 0 H ARG A 58 -1.738 -10.674 4.213 1.00 0.00 H new ATOM 0 HA ARG A 58 0.627 -10.043 5.518 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.495 -10.938 6.503 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.143 -12.505 5.800 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.893 -12.695 7.173 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.622 -11.094 7.833 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.552 -11.845 8.776 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.295 -13.444 8.105 1.00 0.00 H new ATOM 0 HE ARG A 58 0.967 -13.061 9.635 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.502 -12.750 10.235 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.364 -13.198 11.939 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.138 -13.619 11.826 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.310 -13.688 12.836 1.00 0.00 H new ATOM 915 N ASP A 59 0.788 -12.954 3.972 1.00 0.00 N ATOM 916 CA ASP A 59 1.697 -13.942 3.400 1.00 0.00 C ATOM 917 C ASP A 59 2.659 -13.302 2.414 1.00 0.00 C ATOM 918 O ASP A 59 3.861 -13.533 2.473 1.00 0.00 O ATOM 919 CB ASP A 59 0.901 -15.028 2.685 1.00 0.00 C ATOM 920 CG ASP A 59 1.783 -16.002 1.928 1.00 0.00 C ATOM 921 OD1 ASP A 59 2.386 -16.892 2.565 1.00 0.00 O ATOM 922 OD2 ASP A 59 1.865 -15.886 0.688 1.00 0.00 O ATOM 0 H ASP A 59 -0.199 -13.173 3.841 1.00 0.00 H new ATOM 0 HA ASP A 59 2.273 -14.376 4.217 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.306 -15.576 3.415 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.203 -14.562 1.990 1.00 0.00 H new ATOM 927 N SER A 60 2.120 -12.477 1.533 1.00 0.00 N ATOM 928 CA SER A 60 2.900 -11.882 0.460 1.00 0.00 C ATOM 929 C SER A 60 3.902 -10.867 1.003 1.00 0.00 C ATOM 930 O SER A 60 4.992 -10.696 0.455 1.00 0.00 O ATOM 931 CB SER A 60 1.957 -11.238 -0.551 1.00 0.00 C ATOM 932 OG SER A 60 1.160 -12.218 -1.193 1.00 0.00 O ATOM 0 H SER A 60 1.138 -12.202 1.540 1.00 0.00 H new ATOM 0 HA SER A 60 3.474 -12.664 -0.037 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.316 -10.515 -0.047 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.534 -10.689 -1.295 1.00 0.00 H new ATOM 0 HG SER A 60 0.319 -12.329 -0.702 1.00 0.00 H new ATOM 938 N PHE A 61 3.537 -10.209 2.092 1.00 0.00 N ATOM 939 CA PHE A 61 4.434 -9.283 2.755 1.00 0.00 C ATOM 940 C PHE A 61 5.555 -10.051 3.437 1.00 0.00 C ATOM 941 O PHE A 61 6.689 -9.584 3.502 1.00 0.00 O ATOM 942 CB PHE A 61 3.674 -8.419 3.767 1.00 0.00 C ATOM 943 CG PHE A 61 2.788 -7.373 3.139 1.00 0.00 C ATOM 944 CD1 PHE A 61 2.993 -6.961 1.829 1.00 0.00 C ATOM 945 CD2 PHE A 61 1.763 -6.787 3.865 1.00 0.00 C ATOM 946 CE1 PHE A 61 2.194 -5.988 1.259 1.00 0.00 C ATOM 947 CE2 PHE A 61 0.958 -5.814 3.299 1.00 0.00 C ATOM 948 CZ PHE A 61 1.175 -5.414 1.994 1.00 0.00 C ATOM 0 H PHE A 61 2.623 -10.301 2.535 1.00 0.00 H new ATOM 0 HA PHE A 61 4.867 -8.618 2.008 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.064 -9.067 4.396 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.393 -7.926 4.421 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.787 -7.407 1.248 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.590 -7.094 4.886 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.366 -5.677 0.239 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.162 -5.368 3.876 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.549 -4.654 1.550 1.00 0.00 H new ATOM 958 N GLN A 62 5.236 -11.243 3.920 1.00 0.00 N ATOM 959 CA GLN A 62 6.241 -12.125 4.492 1.00 0.00 C ATOM 960 C GLN A 62 7.154 -12.622 3.383 1.00 0.00 C ATOM 961 O GLN A 62 8.370 -12.720 3.553 1.00 0.00 O ATOM 962 CB GLN A 62 5.581 -13.314 5.194 1.00 0.00 C ATOM 963 CG GLN A 62 4.682 -12.934 6.363 1.00 0.00 C ATOM 964 CD GLN A 62 5.453 -12.418 7.570 1.00 0.00 C ATOM 965 OE1 GLN A 62 6.522 -11.821 7.440 1.00 0.00 O ATOM 966 NE2 GLN A 62 4.919 -12.655 8.758 1.00 0.00 N ATOM 0 H GLN A 62 4.289 -11.621 3.927 1.00 0.00 H new ATOM 0 HA GLN A 62 6.821 -11.572 5.231 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.992 -13.870 4.464 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.360 -13.986 5.554 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.977 -12.170 6.037 1.00 0.00 H new ATOM 0 HG3 GLN A 62 4.095 -13.804 6.659 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.031 -13.153 8.828 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.395 -12.340 9.603 1.00 0.00 H new ATOM 975 N GLN A 63 6.550 -12.920 2.236 1.00 0.00 N ATOM 976 CA GLN A 63 7.294 -13.366 1.072 1.00 0.00 C ATOM 977 C GLN A 63 8.318 -12.323 0.661 1.00 0.00 C ATOM 978 O GLN A 63 9.475 -12.650 0.443 1.00 0.00 O ATOM 979 CB GLN A 63 6.373 -13.666 -0.107 1.00 0.00 C ATOM 980 CG GLN A 63 5.359 -14.755 0.188 1.00 0.00 C ATOM 981 CD GLN A 63 5.989 -16.081 0.572 1.00 0.00 C ATOM 982 OE1 GLN A 63 7.092 -16.411 0.138 1.00 0.00 O ATOM 983 NE2 GLN A 63 5.287 -16.853 1.392 1.00 0.00 N ATOM 0 H GLN A 63 5.542 -12.859 2.092 1.00 0.00 H new ATOM 0 HA GLN A 63 7.804 -14.288 1.351 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.846 -12.755 -0.389 1.00 0.00 H new ATOM 0 HB3 GLN A 63 6.977 -13.963 -0.965 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.707 -14.424 0.996 1.00 0.00 H new ATOM 0 HG3 GLN A 63 4.729 -14.902 -0.690 1.00 0.00 H new ATOM 0 HE21 GLN A 63 4.376 -16.543 1.730 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.659 -17.757 1.685 1.00 0.00 H new ATOM 992 N VAL A 64 7.897 -11.065 0.572 1.00 0.00 N ATOM 993 CA VAL A 64 8.798 -10.008 0.136 1.00 0.00 C ATOM 994 C VAL A 64 9.848 -9.691 1.199 1.00 0.00 C ATOM 995 O VAL A 64 10.887 -9.138 0.883 1.00 0.00 O ATOM 996 CB VAL A 64 8.051 -8.717 -0.275 1.00 0.00 C ATOM 997 CG1 VAL A 64 7.458 -8.002 0.928 1.00 0.00 C ATOM 998 CG2 VAL A 64 8.981 -7.792 -1.046 1.00 0.00 C ATOM 0 H VAL A 64 6.950 -10.757 0.793 1.00 0.00 H new ATOM 0 HA VAL A 64 9.302 -10.392 -0.751 1.00 0.00 H new ATOM 0 HB VAL A 64 7.223 -9.004 -0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.942 -7.101 0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.751 -8.661 1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.256 -7.731 1.620 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.442 -6.888 -1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.832 -7.526 -0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.336 -8.299 -1.943 1.00 0.00 H new ATOM 1008 N VAL A 65 9.591 -10.047 2.454 1.00 0.00 N ATOM 1009 CA VAL A 65 10.620 -9.936 3.486 1.00 0.00 C ATOM 1010 C VAL A 65 11.685 -11.006 3.259 1.00 0.00 C ATOM 1011 O VAL A 65 12.850 -10.850 3.624 1.00 0.00 O ATOM 1012 CB VAL A 65 10.024 -10.059 4.912 1.00 0.00 C ATOM 1013 CG1 VAL A 65 11.115 -10.189 5.966 1.00 0.00 C ATOM 1014 CG2 VAL A 65 9.151 -8.857 5.216 1.00 0.00 C ATOM 0 H VAL A 65 8.695 -10.409 2.779 1.00 0.00 H new ATOM 0 HA VAL A 65 11.072 -8.947 3.411 1.00 0.00 H new ATOM 0 HB VAL A 65 9.419 -10.965 4.943 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.660 -10.273 6.953 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.711 -11.079 5.765 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.756 -9.308 5.936 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.737 -8.953 6.220 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.749 -7.948 5.155 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.338 -8.805 4.492 1.00 0.00 H new ATOM 1024 N LYS A 66 11.272 -12.089 2.621 1.00 0.00 N ATOM 1025 CA LYS A 66 12.180 -13.172 2.281 1.00 0.00 C ATOM 1026 C LYS A 66 12.851 -12.926 0.927 1.00 0.00 C ATOM 1027 O LYS A 66 14.078 -12.867 0.842 1.00 0.00 O ATOM 1028 CB LYS A 66 11.410 -14.492 2.258 1.00 0.00 C ATOM 1029 CG LYS A 66 10.775 -14.837 3.593 1.00 0.00 C ATOM 1030 CD LYS A 66 9.753 -15.952 3.459 1.00 0.00 C ATOM 1031 CE LYS A 66 9.180 -16.339 4.812 1.00 0.00 C ATOM 1032 NZ LYS A 66 8.152 -17.404 4.696 1.00 0.00 N ATOM 0 H LYS A 66 10.307 -12.242 2.327 1.00 0.00 H new ATOM 0 HA LYS A 66 12.964 -13.220 3.037 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.632 -14.438 1.496 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.087 -15.295 1.967 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.550 -15.137 4.298 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.294 -13.951 4.007 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.947 -15.633 2.798 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.219 -16.822 2.996 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.985 -16.681 5.462 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.740 -15.461 5.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.787 -17.638 5.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.371 -17.069 4.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.577 -18.252 4.269 1.00 0.00 H new ATOM 1046 N LEU A 67 12.046 -12.731 -0.115 1.00 0.00 N ATOM 1047 CA LEU A 67 12.561 -12.647 -1.480 1.00 0.00 C ATOM 1048 C LEU A 67 12.912 -11.211 -1.882 1.00 0.00 C ATOM 1049 O LEU A 67 13.175 -10.935 -3.053 1.00 0.00 O ATOM 1050 CB LEU A 67 11.573 -13.272 -2.481 1.00 0.00 C ATOM 1051 CG LEU A 67 10.130 -12.756 -2.432 1.00 0.00 C ATOM 1052 CD1 LEU A 67 9.995 -11.409 -3.126 1.00 0.00 C ATOM 1053 CD2 LEU A 67 9.187 -13.772 -3.052 1.00 0.00 C ATOM 0 H LEU A 67 11.034 -12.628 -0.040 1.00 0.00 H new ATOM 0 HA LEU A 67 13.487 -13.221 -1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.959 -13.110 -3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.556 -14.349 -2.316 1.00 0.00 H new ATOM 0 HG LEU A 67 9.860 -12.616 -1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.959 -11.074 -3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.638 -10.680 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.291 -11.507 -4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.166 -13.393 -3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.469 -13.943 -4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.249 -14.710 -2.500 1.00 0.00 H new ATOM 1065 N LYS A 68 12.883 -10.310 -0.903 1.00 0.00 N ATOM 1066 CA LYS A 68 13.318 -8.920 -1.097 1.00 0.00 C ATOM 1067 C LYS A 68 14.599 -8.836 -1.918 1.00 0.00 C ATOM 1068 O LYS A 68 15.520 -9.639 -1.751 1.00 0.00 O ATOM 1069 CB LYS A 68 13.491 -8.205 0.229 1.00 0.00 C ATOM 1070 CG LYS A 68 13.955 -9.124 1.309 1.00 0.00 C ATOM 1071 CD LYS A 68 15.366 -8.836 1.774 1.00 0.00 C ATOM 1072 CE LYS A 68 15.782 -9.822 2.854 1.00 0.00 C ATOM 1073 NZ LYS A 68 15.957 -11.200 2.318 1.00 0.00 N ATOM 0 H LYS A 68 12.561 -10.516 0.043 1.00 0.00 H new ATOM 0 HA LYS A 68 12.529 -8.418 -1.657 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.209 -7.394 0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 68 12.544 -7.752 0.522 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.277 -9.047 2.159 1.00 0.00 H new ATOM 0 HG3 LYS A 68 13.901 -10.152 0.950 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.053 -8.900 0.931 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.428 -7.818 2.159 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.715 -9.489 3.308 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.030 -9.833 3.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.322 -11.821 3.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.041 -11.562 1.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.631 -11.181 1.526 1.00 0.00 H new ATOM 1087 N GLY A 69 14.644 -7.849 -2.790 1.00 0.00 N ATOM 1088 CA GLY A 69 15.653 -7.804 -3.828 1.00 0.00 C ATOM 1089 C GLY A 69 14.988 -8.077 -5.154 1.00 0.00 C ATOM 1090 O GLY A 69 15.389 -7.565 -6.197 1.00 0.00 O ATOM 0 H GLY A 69 13.991 -7.065 -2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 69 16.139 -6.828 -3.842 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.429 -8.544 -3.634 1.00 0.00 H new ATOM 1094 N GLN A 70 13.951 -8.898 -5.080 1.00 0.00 N ATOM 1095 CA GLN A 70 13.037 -9.117 -6.177 1.00 0.00 C ATOM 1096 C GLN A 70 11.737 -8.386 -5.861 1.00 0.00 C ATOM 1097 O GLN A 70 11.295 -8.370 -4.710 1.00 0.00 O ATOM 1098 CB GLN A 70 12.799 -10.625 -6.362 1.00 0.00 C ATOM 1099 CG GLN A 70 11.417 -10.986 -6.872 1.00 0.00 C ATOM 1100 CD GLN A 70 11.291 -12.452 -7.234 1.00 0.00 C ATOM 1101 OE1 GLN A 70 10.960 -13.281 -6.257 1.00 0.00 O flip ATOM 1102 NE2 GLN A 70 11.503 -12.840 -8.384 1.00 0.00 N flip ATOM 0 H GLN A 70 13.723 -9.435 -4.243 1.00 0.00 H new ATOM 0 HA GLN A 70 13.450 -8.732 -7.109 1.00 0.00 H new ATOM 0 HB2 GLN A 70 13.542 -11.015 -7.058 1.00 0.00 H new ATOM 0 HB3 GLN A 70 12.962 -11.125 -5.408 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.677 -10.739 -6.110 1.00 0.00 H new ATOM 0 HG3 GLN A 70 11.187 -10.379 -7.748 1.00 0.00 H new ATOM 0 HE21 GLN A 70 11.756 -12.170 -9.110 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.425 -13.832 -8.610 1.00 0.00 H new ATOM 1111 N VAL A 71 11.145 -7.762 -6.865 1.00 0.00 N ATOM 1112 CA VAL A 71 9.921 -7.006 -6.664 1.00 0.00 C ATOM 1113 C VAL A 71 8.736 -7.955 -6.537 1.00 0.00 C ATOM 1114 O VAL A 71 8.482 -8.772 -7.421 1.00 0.00 O ATOM 1115 CB VAL A 71 9.667 -6.017 -7.821 1.00 0.00 C ATOM 1116 CG1 VAL A 71 8.399 -5.210 -7.579 1.00 0.00 C ATOM 1117 CG2 VAL A 71 10.863 -5.095 -8.005 1.00 0.00 C ATOM 0 H VAL A 71 11.491 -7.764 -7.825 1.00 0.00 H new ATOM 0 HA VAL A 71 10.035 -6.432 -5.744 1.00 0.00 H new ATOM 0 HB VAL A 71 9.530 -6.593 -8.736 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.243 -4.521 -8.409 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.547 -5.885 -7.503 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.498 -4.645 -6.652 1.00 0.00 H new ATOM 0 HG21 VAL A 71 10.667 -4.404 -8.825 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.032 -4.531 -7.088 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.748 -5.688 -8.234 1.00 0.00 H new ATOM 1127 N LEU A 72 8.015 -7.839 -5.433 1.00 0.00 N ATOM 1128 CA LEU A 72 6.900 -8.728 -5.153 1.00 0.00 C ATOM 1129 C LEU A 72 5.597 -7.988 -5.416 1.00 0.00 C ATOM 1130 O LEU A 72 5.305 -6.985 -4.762 1.00 0.00 O ATOM 1131 CB LEU A 72 6.969 -9.212 -3.694 1.00 0.00 C ATOM 1132 CG LEU A 72 6.207 -10.506 -3.359 1.00 0.00 C ATOM 1133 CD1 LEU A 72 4.702 -10.296 -3.394 1.00 0.00 C ATOM 1134 CD2 LEU A 72 6.609 -11.620 -4.314 1.00 0.00 C ATOM 0 H LEU A 72 8.183 -7.135 -4.714 1.00 0.00 H new ATOM 0 HA LEU A 72 6.949 -9.602 -5.803 1.00 0.00 H new ATOM 0 HB2 LEU A 72 8.017 -9.357 -3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.588 -8.417 -3.053 1.00 0.00 H new ATOM 0 HG LEU A 72 6.477 -10.795 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.198 -11.232 -3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.424 -9.535 -2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.403 -9.970 -4.390 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.061 -12.529 -4.064 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.375 -11.325 -5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.679 -11.806 -4.226 1.00 0.00 H new ATOM 1146 N SER A 73 4.830 -8.465 -6.380 1.00 0.00 N ATOM 1147 CA SER A 73 3.556 -7.851 -6.710 1.00 0.00 C ATOM 1148 C SER A 73 2.417 -8.644 -6.094 1.00 0.00 C ATOM 1149 O SER A 73 2.249 -9.833 -6.377 1.00 0.00 O ATOM 1150 CB SER A 73 3.390 -7.785 -8.226 1.00 0.00 C ATOM 1151 OG SER A 73 4.476 -7.104 -8.828 1.00 0.00 O ATOM 0 H SER A 73 5.068 -9.277 -6.949 1.00 0.00 H new ATOM 0 HA SER A 73 3.535 -6.839 -6.306 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.320 -8.794 -8.632 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.457 -7.277 -8.471 1.00 0.00 H new ATOM 0 HG SER A 73 4.526 -7.342 -9.777 1.00 0.00 H new ATOM 1157 N VAL A 74 1.638 -7.986 -5.255 1.00 0.00 N ATOM 1158 CA VAL A 74 0.496 -8.617 -4.621 1.00 0.00 C ATOM 1159 C VAL A 74 -0.772 -7.861 -4.955 1.00 0.00 C ATOM 1160 O VAL A 74 -0.803 -6.628 -4.971 1.00 0.00 O ATOM 1161 CB VAL A 74 0.679 -8.726 -3.086 1.00 0.00 C ATOM 1162 CG1 VAL A 74 0.934 -7.361 -2.465 1.00 0.00 C ATOM 1163 CG2 VAL A 74 -0.526 -9.398 -2.441 1.00 0.00 C ATOM 0 H VAL A 74 1.777 -7.009 -4.996 1.00 0.00 H new ATOM 0 HA VAL A 74 0.417 -9.631 -5.012 1.00 0.00 H new ATOM 0 HB VAL A 74 1.555 -9.348 -2.899 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.058 -7.469 -1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.839 -6.930 -2.893 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.088 -6.705 -2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.373 -9.463 -1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.422 -8.812 -2.646 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.646 -10.401 -2.851 1.00 0.00 H new ATOM 1173 N MET A 75 -1.804 -8.613 -5.251 1.00 0.00 N ATOM 1174 CA MET A 75 -3.056 -8.048 -5.684 1.00 0.00 C ATOM 1175 C MET A 75 -4.106 -8.218 -4.596 1.00 0.00 C ATOM 1176 O MET A 75 -4.244 -9.301 -4.033 1.00 0.00 O ATOM 1177 CB MET A 75 -3.515 -8.731 -6.968 1.00 0.00 C ATOM 1178 CG MET A 75 -4.237 -7.795 -7.906 1.00 0.00 C ATOM 1179 SD MET A 75 -5.247 -8.660 -9.125 1.00 0.00 S ATOM 1180 CE MET A 75 -5.935 -7.281 -10.033 1.00 0.00 C ATOM 0 H MET A 75 -1.799 -9.632 -5.198 1.00 0.00 H new ATOM 0 HA MET A 75 -2.920 -6.984 -5.878 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.649 -9.152 -7.479 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.173 -9.563 -6.716 1.00 0.00 H new ATOM 0 HG2 MET A 75 -4.872 -7.126 -7.325 1.00 0.00 H new ATOM 0 HG3 MET A 75 -3.507 -7.173 -8.423 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.728 -7.638 -10.690 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.344 -6.552 -9.333 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.153 -6.812 -10.630 1.00 0.00 H new ATOM 1190 N PHE A 76 -4.825 -7.149 -4.303 1.00 0.00 N ATOM 1191 CA PHE A 76 -5.855 -7.179 -3.272 1.00 0.00 C ATOM 1192 C PHE A 76 -6.825 -6.023 -3.474 1.00 0.00 C ATOM 1193 O PHE A 76 -6.648 -5.208 -4.386 1.00 0.00 O ATOM 1194 CB PHE A 76 -5.227 -7.102 -1.877 1.00 0.00 C ATOM 1195 CG PHE A 76 -4.672 -5.746 -1.522 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -3.507 -5.279 -2.109 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -5.318 -4.942 -0.596 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -2.999 -4.040 -1.779 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -4.812 -3.700 -0.262 1.00 0.00 C ATOM 1200 CZ PHE A 76 -3.650 -3.251 -0.855 1.00 0.00 C ATOM 0 H PHE A 76 -4.716 -6.246 -4.764 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.399 -8.120 -3.352 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -5.978 -7.380 -1.137 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.426 -7.839 -1.810 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.991 -5.892 -2.833 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.228 -5.290 -0.130 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.091 -3.688 -2.245 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.325 -3.083 0.461 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.251 -2.282 -0.595 1.00 0.00 H new ATOM 1210 N ARG A 77 -7.841 -5.948 -2.624 1.00 0.00 N ATOM 1211 CA ARG A 77 -8.840 -4.901 -2.733 1.00 0.00 C ATOM 1212 C ARG A 77 -8.679 -3.887 -1.603 1.00 0.00 C ATOM 1213 O ARG A 77 -8.805 -4.227 -0.424 1.00 0.00 O ATOM 1214 CB ARG A 77 -10.246 -5.507 -2.736 1.00 0.00 C ATOM 1215 CG ARG A 77 -10.465 -6.482 -3.883 1.00 0.00 C ATOM 1216 CD ARG A 77 -11.852 -7.104 -3.854 1.00 0.00 C ATOM 1217 NE ARG A 77 -12.912 -6.122 -4.086 1.00 0.00 N ATOM 1218 CZ ARG A 77 -14.150 -6.443 -4.462 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -14.459 -7.710 -4.711 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -15.069 -5.495 -4.613 1.00 0.00 N ATOM 0 H ARG A 77 -7.992 -6.600 -1.854 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.696 -4.375 -3.677 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.417 -6.021 -1.790 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.982 -4.706 -2.801 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.322 -5.963 -4.831 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.714 -7.271 -3.835 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -11.912 -7.885 -4.612 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -12.011 -7.584 -2.889 1.00 0.00 H new ATOM 0 HE ARG A 77 -12.691 -5.135 -3.952 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.749 -8.436 -4.614 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -15.406 -7.957 -4.999 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -14.828 -4.519 -4.441 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -16.015 -5.743 -4.901 1.00 0.00 H new ATOM 1234 N PHE A 78 -8.394 -2.647 -1.986 1.00 0.00 N ATOM 1235 CA PHE A 78 -8.111 -1.570 -1.040 1.00 0.00 C ATOM 1236 C PHE A 78 -9.381 -0.783 -0.759 1.00 0.00 C ATOM 1237 O PHE A 78 -10.242 -0.655 -1.636 1.00 0.00 O ATOM 1238 CB PHE A 78 -7.062 -0.637 -1.650 1.00 0.00 C ATOM 1239 CG PHE A 78 -6.281 0.201 -0.670 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -6.763 1.421 -0.224 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -5.036 -0.217 -0.234 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -6.014 2.207 0.634 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -4.288 0.557 0.628 1.00 0.00 C ATOM 1244 CZ PHE A 78 -4.775 1.772 1.059 1.00 0.00 C ATOM 0 H PHE A 78 -8.352 -2.358 -2.963 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.739 -1.993 -0.107 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.359 -1.239 -2.226 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.561 0.030 -2.353 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -7.734 1.762 -0.550 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.644 -1.164 -0.574 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.398 3.159 0.970 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.322 0.211 0.965 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.188 2.383 1.729 1.00 0.00 H new ATOM 1254 N ARG A 79 -9.506 -0.263 0.453 1.00 0.00 N ATOM 1255 CA ARG A 79 -10.669 0.529 0.808 1.00 0.00 C ATOM 1256 C ARG A 79 -10.514 1.977 0.353 1.00 0.00 C ATOM 1257 O ARG A 79 -9.737 2.739 0.915 1.00 0.00 O ATOM 1258 CB ARG A 79 -10.926 0.505 2.312 1.00 0.00 C ATOM 1259 CG ARG A 79 -12.372 0.819 2.658 1.00 0.00 C ATOM 1260 CD ARG A 79 -12.518 1.411 4.047 1.00 0.00 C ATOM 1261 NE ARG A 79 -11.951 0.569 5.102 1.00 0.00 N ATOM 1262 CZ ARG A 79 -12.161 0.787 6.401 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -12.967 1.769 6.787 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -11.578 0.022 7.315 1.00 0.00 N ATOM 0 H ARG A 79 -8.821 -0.375 1.200 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.520 0.080 0.295 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.666 -0.477 2.707 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.273 1.228 2.801 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.775 1.517 1.924 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.965 -0.093 2.590 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.032 2.386 4.071 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.575 1.577 4.254 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.367 -0.222 4.831 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.425 2.356 6.090 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.128 1.936 7.780 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.964 -0.740 7.026 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.744 0.195 8.306 1.00 0.00 H new ATOM 1278 N SER A 80 -11.232 2.321 -0.699 1.00 0.00 N ATOM 1279 CA SER A 80 -11.401 3.700 -1.129 1.00 0.00 C ATOM 1280 C SER A 80 -12.025 4.541 -0.007 1.00 0.00 C ATOM 1281 O SER A 80 -12.646 4.010 0.917 1.00 0.00 O ATOM 1282 CB SER A 80 -12.303 3.718 -2.370 1.00 0.00 C ATOM 1283 OG SER A 80 -12.601 5.038 -2.792 1.00 0.00 O ATOM 0 H SER A 80 -11.720 1.645 -1.287 1.00 0.00 H new ATOM 0 HA SER A 80 -10.429 4.130 -1.370 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.813 3.180 -3.182 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.231 3.189 -2.151 1.00 0.00 H new ATOM 0 HG SER A 80 -11.788 5.584 -2.758 1.00 0.00 H new ATOM 1289 N LYS A 81 -11.879 5.865 -0.114 1.00 0.00 N ATOM 1290 CA LYS A 81 -12.445 6.803 0.855 1.00 0.00 C ATOM 1291 C LYS A 81 -13.970 6.754 0.825 1.00 0.00 C ATOM 1292 O LYS A 81 -14.643 7.292 1.702 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.967 8.225 0.539 1.00 0.00 C ATOM 1294 CG LYS A 81 -12.413 9.276 1.549 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.777 9.056 2.911 1.00 0.00 C ATOM 1296 CE LYS A 81 -12.320 10.032 3.943 1.00 0.00 C ATOM 1297 NZ LYS A 81 -13.765 9.811 4.212 1.00 0.00 N ATOM 0 H LYS A 81 -11.366 6.314 -0.873 1.00 0.00 H new ATOM 0 HA LYS A 81 -12.108 6.518 1.852 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.878 8.227 0.487 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.333 8.508 -0.448 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.150 10.268 1.181 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.498 9.249 1.646 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.965 8.034 3.241 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.696 9.172 2.832 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.758 9.928 4.871 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.169 11.053 3.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.036 10.309 5.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.326 10.176 3.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.945 8.793 4.324 1.00 0.00 H new ATOM 1311 N ASN A 82 -14.510 6.083 -0.179 1.00 0.00 N ATOM 1312 CA ASN A 82 -15.950 5.956 -0.326 1.00 0.00 C ATOM 1313 C ASN A 82 -16.389 4.616 0.246 1.00 0.00 C ATOM 1314 O ASN A 82 -17.543 4.212 0.106 1.00 0.00 O ATOM 1315 CB ASN A 82 -16.347 6.055 -1.801 1.00 0.00 C ATOM 1316 CG ASN A 82 -15.727 7.254 -2.497 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -16.294 8.347 -2.509 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -14.558 7.055 -3.093 1.00 0.00 N ATOM 0 H ASN A 82 -13.970 5.616 -0.907 1.00 0.00 H new ATOM 0 HA ASN A 82 -16.442 6.765 0.214 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -16.043 5.144 -2.316 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -17.433 6.117 -1.877 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.098 7.822 -3.583 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.119 6.135 -3.061 1.00 0.00 H new ATOM 1325 N GLN A 83 -15.434 3.938 0.888 1.00 0.00 N ATOM 1326 CA GLN A 83 -15.648 2.632 1.510 1.00 0.00 C ATOM 1327 C GLN A 83 -15.949 1.572 0.459 1.00 0.00 C ATOM 1328 O GLN A 83 -16.702 0.629 0.694 1.00 0.00 O ATOM 1329 CB GLN A 83 -16.746 2.694 2.578 1.00 0.00 C ATOM 1330 CG GLN A 83 -16.297 3.352 3.878 1.00 0.00 C ATOM 1331 CD GLN A 83 -15.877 4.802 3.703 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -16.705 5.709 3.766 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -14.585 5.034 3.496 1.00 0.00 N ATOM 0 H GLN A 83 -14.481 4.286 0.991 1.00 0.00 H new ATOM 0 HA GLN A 83 -14.725 2.346 2.014 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -17.599 3.243 2.179 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -17.090 1.682 2.793 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -17.110 3.301 4.603 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -15.463 2.787 4.294 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -13.928 4.255 3.450 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -14.250 5.991 3.383 1.00 0.00 H new ATOM 1342 N GLU A 84 -15.346 1.750 -0.707 1.00 0.00 N ATOM 1343 CA GLU A 84 -15.409 0.776 -1.776 1.00 0.00 C ATOM 1344 C GLU A 84 -14.137 -0.049 -1.764 1.00 0.00 C ATOM 1345 O GLU A 84 -13.114 0.413 -1.269 1.00 0.00 O ATOM 1346 CB GLU A 84 -15.552 1.496 -3.108 1.00 0.00 C ATOM 1347 CG GLU A 84 -16.837 2.284 -3.217 1.00 0.00 C ATOM 1348 CD GLU A 84 -16.841 3.225 -4.395 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -16.261 4.320 -4.283 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -17.446 2.879 -5.431 1.00 0.00 O ATOM 0 H GLU A 84 -14.798 2.579 -0.935 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.268 0.120 -1.635 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.706 2.170 -3.243 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.510 0.766 -3.916 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.676 1.594 -3.305 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -16.988 2.854 -2.300 1.00 0.00 H new ATOM 1357 N TRP A 85 -14.183 -1.251 -2.305 1.00 0.00 N ATOM 1358 CA TRP A 85 -13.031 -2.118 -2.276 1.00 0.00 C ATOM 1359 C TRP A 85 -12.594 -2.457 -3.694 1.00 0.00 C ATOM 1360 O TRP A 85 -13.112 -3.383 -4.315 1.00 0.00 O ATOM 1361 CB TRP A 85 -13.366 -3.373 -1.473 1.00 0.00 C ATOM 1362 CG TRP A 85 -13.730 -3.061 -0.049 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -14.972 -2.763 0.435 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -12.840 -2.994 1.070 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -14.904 -2.513 1.785 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -13.610 -2.655 2.198 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -11.472 -3.189 1.228 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -13.051 -2.510 3.465 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -10.920 -3.043 2.485 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -11.709 -2.709 3.589 1.00 0.00 C ATOM 0 H TRP A 85 -15.003 -1.644 -2.767 1.00 0.00 H new ATOM 0 HA TRP A 85 -12.197 -1.612 -1.790 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -14.194 -3.896 -1.951 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -12.511 -4.049 -1.487 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -15.875 -2.729 -0.156 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -15.692 -2.262 2.382 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -10.853 -3.450 0.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -13.659 -2.249 4.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -9.858 -3.190 2.618 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -11.246 -2.607 4.559 1.00 0.00 H new ATOM 1381 N LEU A 86 -11.643 -1.683 -4.196 1.00 0.00 N ATOM 1382 CA LEU A 86 -11.181 -1.798 -5.576 1.00 0.00 C ATOM 1383 C LEU A 86 -9.877 -2.576 -5.661 1.00 0.00 C ATOM 1384 O LEU A 86 -9.223 -2.806 -4.652 1.00 0.00 O ATOM 1385 CB LEU A 86 -11.014 -0.403 -6.180 1.00 0.00 C ATOM 1386 CG LEU A 86 -10.359 0.653 -5.274 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -8.853 0.448 -5.182 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.674 2.054 -5.775 1.00 0.00 C ATOM 0 H LEU A 86 -11.168 -0.957 -3.660 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.929 -2.350 -6.145 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.419 -0.492 -7.089 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -11.997 -0.038 -6.477 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.774 0.536 -4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.421 1.211 -4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.645 -0.539 -4.769 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.414 0.525 -6.177 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.203 2.788 -5.122 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.292 2.172 -6.789 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.753 2.207 -5.773 1.00 0.00 H new ATOM 1400 N TRP A 87 -9.483 -2.945 -6.872 1.00 0.00 N ATOM 1401 CA TRP A 87 -8.297 -3.762 -7.059 1.00 0.00 C ATOM 1402 C TRP A 87 -7.071 -2.892 -7.216 1.00 0.00 C ATOM 1403 O TRP A 87 -7.070 -1.945 -8.008 1.00 0.00 O ATOM 1404 CB TRP A 87 -8.420 -4.658 -8.296 1.00 0.00 C ATOM 1405 CG TRP A 87 -9.236 -5.893 -8.094 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -10.466 -6.155 -8.616 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -8.865 -7.045 -7.333 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -10.894 -7.396 -8.206 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -9.927 -7.963 -7.422 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -7.739 -7.391 -6.579 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -9.894 -9.202 -6.790 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -7.708 -8.621 -5.954 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -8.781 -9.514 -6.060 1.00 0.00 C ATOM 0 H TRP A 87 -9.966 -2.692 -7.734 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.200 -4.389 -6.173 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -8.860 -4.077 -9.106 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -7.420 -4.948 -8.618 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -11.023 -5.487 -9.257 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -11.788 -7.824 -8.447 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -6.908 -6.707 -6.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -10.719 -9.894 -6.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -6.841 -8.899 -5.373 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -8.728 -10.467 -5.555 1.00 0.00 H new ATOM 1424 N MET A 88 -6.029 -3.201 -6.466 1.00 0.00 N ATOM 1425 CA MET A 88 -4.744 -2.577 -6.695 1.00 0.00 C ATOM 1426 C MET A 88 -3.615 -3.583 -6.526 1.00 0.00 C ATOM 1427 O MET A 88 -3.655 -4.439 -5.642 1.00 0.00 O ATOM 1428 CB MET A 88 -4.527 -1.368 -5.781 1.00 0.00 C ATOM 1429 CG MET A 88 -4.419 -1.695 -4.305 1.00 0.00 C ATOM 1430 SD MET A 88 -3.707 -0.329 -3.372 1.00 0.00 S ATOM 1431 CE MET A 88 -4.735 1.026 -3.934 1.00 0.00 C ATOM 0 H MET A 88 -6.049 -3.874 -5.700 1.00 0.00 H new ATOM 0 HA MET A 88 -4.739 -2.217 -7.724 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.617 -0.854 -6.092 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.352 -0.670 -5.924 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.408 -1.929 -3.911 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.804 -2.585 -4.173 1.00 0.00 H new ATOM 0 HE1 MET A 88 -4.622 1.873 -3.258 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.432 1.320 -4.939 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.778 0.710 -3.948 1.00 0.00 H new ATOM 1441 N ARG A 89 -2.634 -3.493 -7.409 1.00 0.00 N ATOM 1442 CA ARG A 89 -1.444 -4.318 -7.326 1.00 0.00 C ATOM 1443 C ARG A 89 -0.351 -3.546 -6.609 1.00 0.00 C ATOM 1444 O ARG A 89 0.105 -2.508 -7.087 1.00 0.00 O ATOM 1445 CB ARG A 89 -0.958 -4.722 -8.720 1.00 0.00 C ATOM 1446 CG ARG A 89 0.300 -5.578 -8.694 1.00 0.00 C ATOM 1447 CD ARG A 89 0.930 -5.704 -10.072 1.00 0.00 C ATOM 1448 NE ARG A 89 1.449 -4.425 -10.561 1.00 0.00 N ATOM 1449 CZ ARG A 89 2.638 -4.277 -11.155 1.00 0.00 C ATOM 1450 NH1 ARG A 89 3.462 -5.313 -11.276 1.00 0.00 N ATOM 1451 NH2 ARG A 89 3.014 -3.092 -11.619 1.00 0.00 N ATOM 0 H ARG A 89 -2.641 -2.848 -8.200 1.00 0.00 H new ATOM 0 HA ARG A 89 -1.686 -5.226 -6.773 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.751 -5.269 -9.229 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.765 -3.823 -9.305 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.022 -5.141 -8.004 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.056 -6.570 -8.315 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.740 -6.432 -10.034 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.190 -6.087 -10.775 1.00 0.00 H new ATOM 0 HE ARG A 89 0.868 -3.596 -10.441 1.00 0.00 H new ATOM 0 HH11 ARG A 89 3.189 -6.227 -10.915 1.00 0.00 H new ATOM 0 HH12 ARG A 89 4.368 -5.194 -11.730 1.00 0.00 H new ATOM 0 HH21 ARG A 89 2.395 -2.287 -11.524 1.00 0.00 H new ATOM 0 HH22 ARG A 89 3.922 -2.986 -12.071 1.00 0.00 H new ATOM 1465 N THR A 90 0.034 -4.035 -5.455 1.00 0.00 N ATOM 1466 CA THR A 90 1.083 -3.412 -4.676 1.00 0.00 C ATOM 1467 C THR A 90 2.426 -4.089 -4.931 1.00 0.00 C ATOM 1468 O THR A 90 2.555 -5.309 -4.800 1.00 0.00 O ATOM 1469 CB THR A 90 0.747 -3.464 -3.176 1.00 0.00 C ATOM 1470 OG1 THR A 90 -0.528 -2.854 -2.952 1.00 0.00 O ATOM 1471 CG2 THR A 90 1.802 -2.751 -2.346 1.00 0.00 C ATOM 0 H THR A 90 -0.367 -4.871 -5.029 1.00 0.00 H new ATOM 0 HA THR A 90 1.155 -2.369 -4.986 1.00 0.00 H new ATOM 0 HB THR A 90 0.723 -4.510 -2.869 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.626 -2.641 -2.000 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.534 -2.807 -1.291 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.770 -3.228 -2.500 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.860 -1.706 -2.651 1.00 0.00 H new ATOM 1479 N SER A 91 3.407 -3.292 -5.320 1.00 0.00 N ATOM 1480 CA SER A 91 4.759 -3.779 -5.530 1.00 0.00 C ATOM 1481 C SER A 91 5.589 -3.502 -4.283 1.00 0.00 C ATOM 1482 O SER A 91 5.699 -2.356 -3.856 1.00 0.00 O ATOM 1483 CB SER A 91 5.377 -3.091 -6.750 1.00 0.00 C ATOM 1484 OG SER A 91 4.540 -3.229 -7.887 1.00 0.00 O ATOM 0 H SER A 91 3.289 -2.295 -5.498 1.00 0.00 H new ATOM 0 HA SER A 91 4.739 -4.853 -5.715 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.534 -2.034 -6.535 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.356 -3.523 -6.959 1.00 0.00 H new ATOM 0 HG SER A 91 4.954 -2.781 -8.654 1.00 0.00 H new ATOM 1490 N SER A 92 6.154 -4.544 -3.691 1.00 0.00 N ATOM 1491 CA SER A 92 6.831 -4.398 -2.413 1.00 0.00 C ATOM 1492 C SER A 92 8.334 -4.598 -2.535 1.00 0.00 C ATOM 1493 O SER A 92 8.810 -5.411 -3.331 1.00 0.00 O ATOM 1494 CB SER A 92 6.276 -5.400 -1.403 1.00 0.00 C ATOM 1495 OG SER A 92 4.864 -5.496 -1.509 1.00 0.00 O ATOM 0 H SER A 92 6.157 -5.490 -4.071 1.00 0.00 H new ATOM 0 HA SER A 92 6.649 -3.379 -2.071 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.725 -6.379 -1.572 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.549 -5.094 -0.393 1.00 0.00 H new ATOM 0 HG SER A 92 4.454 -4.675 -1.166 1.00 0.00 H new ATOM 1501 N PHE A 93 9.062 -3.831 -1.741 1.00 0.00 N ATOM 1502 CA PHE A 93 10.482 -4.029 -1.533 1.00 0.00 C ATOM 1503 C PHE A 93 10.817 -3.658 -0.098 1.00 0.00 C ATOM 1504 O PHE A 93 10.352 -2.636 0.403 1.00 0.00 O ATOM 1505 CB PHE A 93 11.298 -3.179 -2.517 1.00 0.00 C ATOM 1506 CG PHE A 93 12.753 -3.020 -2.141 1.00 0.00 C ATOM 1507 CD1 PHE A 93 13.161 -1.984 -1.307 1.00 0.00 C ATOM 1508 CD2 PHE A 93 13.704 -3.912 -2.608 1.00 0.00 C ATOM 1509 CE1 PHE A 93 14.489 -1.842 -0.950 1.00 0.00 C ATOM 1510 CE2 PHE A 93 15.034 -3.773 -2.254 1.00 0.00 C ATOM 1511 CZ PHE A 93 15.426 -2.737 -1.424 1.00 0.00 C ATOM 0 H PHE A 93 8.677 -3.045 -1.218 1.00 0.00 H new ATOM 0 HA PHE A 93 10.737 -5.074 -1.712 1.00 0.00 H new ATOM 0 HB2 PHE A 93 11.238 -3.631 -3.507 1.00 0.00 H new ATOM 0 HB3 PHE A 93 10.843 -2.191 -2.590 1.00 0.00 H new ATOM 0 HD1 PHE A 93 12.431 -1.281 -0.934 1.00 0.00 H new ATOM 0 HD2 PHE A 93 13.404 -4.724 -3.255 1.00 0.00 H new ATOM 0 HE1 PHE A 93 14.792 -1.033 -0.302 1.00 0.00 H new ATOM 0 HE2 PHE A 93 15.767 -4.474 -2.626 1.00 0.00 H new ATOM 0 HZ PHE A 93 16.464 -2.629 -1.148 1.00 0.00 H new ATOM 1521 N THR A 94 11.597 -4.487 0.568 1.00 0.00 N ATOM 1522 CA THR A 94 12.007 -4.188 1.926 1.00 0.00 C ATOM 1523 C THR A 94 13.408 -3.595 1.907 1.00 0.00 C ATOM 1524 O THR A 94 14.345 -4.225 1.409 1.00 0.00 O ATOM 1525 CB THR A 94 11.988 -5.452 2.810 1.00 0.00 C ATOM 1526 OG1 THR A 94 13.080 -6.307 2.461 1.00 0.00 O ATOM 1527 CG2 THR A 94 10.683 -6.212 2.634 1.00 0.00 C ATOM 0 H THR A 94 11.957 -5.365 0.195 1.00 0.00 H new ATOM 0 HA THR A 94 11.303 -3.472 2.349 1.00 0.00 H new ATOM 0 HB THR A 94 12.080 -5.142 3.851 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.708 -5.819 1.889 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.691 -7.100 3.266 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.848 -5.572 2.918 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.573 -6.510 1.591 1.00 0.00 H new ATOM 1535 N PHE A 95 13.554 -2.388 2.426 1.00 0.00 N ATOM 1536 CA PHE A 95 14.828 -1.698 2.355 1.00 0.00 C ATOM 1537 C PHE A 95 15.792 -2.267 3.385 1.00 0.00 C ATOM 1538 O PHE A 95 15.663 -2.018 4.586 1.00 0.00 O ATOM 1539 CB PHE A 95 14.649 -0.191 2.563 1.00 0.00 C ATOM 1540 CG PHE A 95 15.766 0.631 1.976 1.00 0.00 C ATOM 1541 CD1 PHE A 95 17.026 0.628 2.550 1.00 0.00 C ATOM 1542 CD2 PHE A 95 15.557 1.399 0.841 1.00 0.00 C ATOM 1543 CE1 PHE A 95 18.053 1.377 2.010 1.00 0.00 C ATOM 1544 CE2 PHE A 95 16.581 2.150 0.296 1.00 0.00 C ATOM 1545 CZ PHE A 95 17.831 2.139 0.881 1.00 0.00 C ATOM 0 H PHE A 95 12.812 -1.870 2.897 1.00 0.00 H new ATOM 0 HA PHE A 95 15.245 -1.853 1.360 1.00 0.00 H new ATOM 0 HB2 PHE A 95 13.705 0.120 2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 95 14.579 0.015 3.631 1.00 0.00 H new ATOM 0 HD1 PHE A 95 17.208 0.032 3.432 1.00 0.00 H new ATOM 0 HD2 PHE A 95 14.582 1.411 0.377 1.00 0.00 H new ATOM 0 HE1 PHE A 95 19.030 1.366 2.471 1.00 0.00 H new ATOM 0 HE2 PHE A 95 16.403 2.745 -0.587 1.00 0.00 H new ATOM 0 HZ PHE A 95 18.633 2.725 0.457 1.00 0.00 H new ATOM 1555 N GLN A 96 16.731 -3.063 2.907 1.00 0.00 N ATOM 1556 CA GLN A 96 17.775 -3.600 3.754 1.00 0.00 C ATOM 1557 C GLN A 96 18.956 -2.650 3.804 1.00 0.00 C ATOM 1558 O GLN A 96 19.443 -2.194 2.769 1.00 0.00 O ATOM 1559 CB GLN A 96 18.251 -4.959 3.247 1.00 0.00 C ATOM 1560 CG GLN A 96 17.594 -6.144 3.932 1.00 0.00 C ATOM 1561 CD GLN A 96 18.269 -7.452 3.573 1.00 0.00 C ATOM 1562 OE1 GLN A 96 18.781 -7.618 2.464 1.00 0.00 O ATOM 1563 NE2 GLN A 96 18.300 -8.380 4.513 1.00 0.00 N ATOM 0 H GLN A 96 16.790 -3.352 1.931 1.00 0.00 H new ATOM 0 HA GLN A 96 17.357 -3.721 4.754 1.00 0.00 H new ATOM 0 HB2 GLN A 96 18.060 -5.022 2.176 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.330 -5.027 3.383 1.00 0.00 H new ATOM 0 HG2 GLN A 96 17.628 -6.003 5.012 1.00 0.00 H new ATOM 0 HG3 GLN A 96 16.542 -6.189 3.649 1.00 0.00 H new ATOM 0 HE21 GLN A 96 17.864 -8.204 5.418 1.00 0.00 H new ATOM 0 HE22 GLN A 96 18.760 -9.273 4.333 1.00 0.00 H new ATOM 1572 N ASN A 97 19.408 -2.350 5.007 1.00 0.00 N ATOM 1573 CA ASN A 97 20.616 -1.567 5.183 1.00 0.00 C ATOM 1574 C ASN A 97 21.816 -2.452 4.859 1.00 0.00 C ATOM 1575 O ASN A 97 22.044 -3.455 5.533 1.00 0.00 O ATOM 1576 CB ASN A 97 20.712 -1.045 6.616 1.00 0.00 C ATOM 1577 CG ASN A 97 21.730 0.066 6.750 1.00 0.00 C ATOM 1578 OD1 ASN A 97 22.914 -0.182 6.990 1.00 0.00 O ATOM 1579 ND2 ASN A 97 21.275 1.301 6.601 1.00 0.00 N ATOM 0 H ASN A 97 18.957 -2.636 5.876 1.00 0.00 H new ATOM 0 HA ASN A 97 20.598 -0.706 4.515 1.00 0.00 H new ATOM 0 HB2 ASN A 97 19.735 -0.681 6.935 1.00 0.00 H new ATOM 0 HB3 ASN A 97 20.981 -1.864 7.283 1.00 0.00 H new ATOM 0 HD21 ASN A 97 21.913 2.093 6.684 1.00 0.00 H new ATOM 0 HD22 ASN A 97 20.287 1.460 6.403 1.00 0.00 H new ATOM 1586 N PRO A 98 22.603 -2.096 3.833 1.00 0.00 N ATOM 1587 CA PRO A 98 23.621 -2.995 3.268 1.00 0.00 C ATOM 1588 C PRO A 98 24.780 -3.304 4.216 1.00 0.00 C ATOM 1589 O PRO A 98 25.627 -4.142 3.910 1.00 0.00 O ATOM 1590 CB PRO A 98 24.133 -2.234 2.045 1.00 0.00 C ATOM 1591 CG PRO A 98 23.817 -0.802 2.308 1.00 0.00 C ATOM 1592 CD PRO A 98 22.571 -0.791 3.147 1.00 0.00 C ATOM 0 HA PRO A 98 23.189 -3.971 3.048 1.00 0.00 H new ATOM 0 HB2 PRO A 98 25.205 -2.381 1.911 1.00 0.00 H new ATOM 0 HB3 PRO A 98 23.647 -2.582 1.134 1.00 0.00 H new ATOM 0 HG2 PRO A 98 24.640 -0.312 2.828 1.00 0.00 H new ATOM 0 HG3 PRO A 98 23.662 -0.261 1.375 1.00 0.00 H new ATOM 0 HD2 PRO A 98 22.573 0.036 3.858 1.00 0.00 H new ATOM 0 HD3 PRO A 98 21.676 -0.682 2.534 1.00 0.00 H new ATOM 1600 N TYR A 99 24.813 -2.641 5.362 1.00 0.00 N ATOM 1601 CA TYR A 99 25.897 -2.835 6.313 1.00 0.00 C ATOM 1602 C TYR A 99 25.376 -3.385 7.633 1.00 0.00 C ATOM 1603 O TYR A 99 25.949 -3.137 8.693 1.00 0.00 O ATOM 1604 CB TYR A 99 26.654 -1.523 6.525 1.00 0.00 C ATOM 1605 CG TYR A 99 27.404 -1.079 5.291 1.00 0.00 C ATOM 1606 CD1 TYR A 99 26.752 -0.412 4.264 1.00 0.00 C ATOM 1607 CD2 TYR A 99 28.756 -1.353 5.141 1.00 0.00 C ATOM 1608 CE1 TYR A 99 27.424 -0.026 3.121 1.00 0.00 C ATOM 1609 CE2 TYR A 99 29.437 -0.976 4.000 1.00 0.00 C ATOM 1610 CZ TYR A 99 28.767 -0.312 2.995 1.00 0.00 C ATOM 1611 OH TYR A 99 29.445 0.052 1.855 1.00 0.00 O ATOM 0 H TYR A 99 24.106 -1.967 5.655 1.00 0.00 H new ATOM 0 HA TYR A 99 26.589 -3.570 5.902 1.00 0.00 H new ATOM 0 HB2 TYR A 99 25.949 -0.744 6.817 1.00 0.00 H new ATOM 0 HB3 TYR A 99 27.357 -1.643 7.349 1.00 0.00 H new ATOM 0 HD1 TYR A 99 25.699 -0.191 4.360 1.00 0.00 H new ATOM 0 HD2 TYR A 99 29.284 -1.869 5.929 1.00 0.00 H new ATOM 0 HE1 TYR A 99 26.902 0.496 2.332 1.00 0.00 H new ATOM 0 HE2 TYR A 99 30.488 -1.200 3.896 1.00 0.00 H new ATOM 0 HH TYR A 99 30.383 -0.223 1.930 1.00 0.00 H new ATOM 1621 N SER A 100 24.290 -4.141 7.552 1.00 0.00 N ATOM 1622 CA SER A 100 23.722 -4.801 8.720 1.00 0.00 C ATOM 1623 C SER A 100 22.659 -5.818 8.296 1.00 0.00 C ATOM 1624 O SER A 100 22.324 -6.730 9.051 1.00 0.00 O ATOM 1625 CB SER A 100 23.125 -3.766 9.687 1.00 0.00 C ATOM 1626 OG SER A 100 22.784 -4.356 10.931 1.00 0.00 O ATOM 0 H SER A 100 23.782 -4.313 6.684 1.00 0.00 H new ATOM 0 HA SER A 100 24.520 -5.333 9.238 1.00 0.00 H new ATOM 0 HB2 SER A 100 23.842 -2.961 9.849 1.00 0.00 H new ATOM 0 HB3 SER A 100 22.238 -3.318 9.240 1.00 0.00 H new ATOM 0 HG SER A 100 22.109 -3.805 11.380 1.00 0.00 H new ATOM 1632 N ASP A 101 22.141 -5.645 7.072 1.00 0.00 N ATOM 1633 CA ASP A 101 21.138 -6.541 6.484 1.00 0.00 C ATOM 1634 C ASP A 101 19.831 -6.524 7.262 1.00 0.00 C ATOM 1635 O ASP A 101 19.017 -7.439 7.147 1.00 0.00 O ATOM 1636 CB ASP A 101 21.660 -7.975 6.349 1.00 0.00 C ATOM 1637 CG ASP A 101 22.670 -8.120 5.229 1.00 0.00 C ATOM 1638 OD1 ASP A 101 22.282 -7.975 4.047 1.00 0.00 O ATOM 1639 OD2 ASP A 101 23.858 -8.380 5.521 1.00 0.00 O ATOM 0 H ASP A 101 22.408 -4.875 6.459 1.00 0.00 H new ATOM 0 HA ASP A 101 20.938 -6.159 5.483 1.00 0.00 H new ATOM 0 HB2 ASP A 101 22.118 -8.282 7.289 1.00 0.00 H new ATOM 0 HB3 ASP A 101 20.822 -8.648 6.168 1.00 0.00 H new ATOM 1644 N GLU A 102 19.621 -5.476 8.039 1.00 0.00 N ATOM 1645 CA GLU A 102 18.361 -5.285 8.734 1.00 0.00 C ATOM 1646 C GLU A 102 17.430 -4.450 7.866 1.00 0.00 C ATOM 1647 O GLU A 102 17.890 -3.711 6.990 1.00 0.00 O ATOM 1648 CB GLU A 102 18.596 -4.612 10.090 1.00 0.00 C ATOM 1649 CG GLU A 102 19.346 -3.293 10.000 1.00 0.00 C ATOM 1650 CD GLU A 102 19.695 -2.730 11.362 1.00 0.00 C ATOM 1651 OE1 GLU A 102 20.667 -3.213 11.976 1.00 0.00 O ATOM 1652 OE2 GLU A 102 19.009 -1.792 11.818 1.00 0.00 O ATOM 0 H GLU A 102 20.310 -4.742 8.205 1.00 0.00 H new ATOM 0 HA GLU A 102 17.897 -6.254 8.919 1.00 0.00 H new ATOM 0 HB2 GLU A 102 17.633 -4.439 10.571 1.00 0.00 H new ATOM 0 HB3 GLU A 102 19.155 -5.294 10.731 1.00 0.00 H new ATOM 0 HG2 GLU A 102 20.261 -3.437 9.425 1.00 0.00 H new ATOM 0 HG3 GLU A 102 18.738 -2.570 9.456 1.00 0.00 H new ATOM 1659 N ILE A 103 16.136 -4.569 8.095 1.00 0.00 N ATOM 1660 CA ILE A 103 15.165 -3.865 7.282 1.00 0.00 C ATOM 1661 C ILE A 103 14.678 -2.620 7.978 1.00 0.00 C ATOM 1662 O ILE A 103 14.130 -2.667 9.083 1.00 0.00 O ATOM 1663 CB ILE A 103 13.970 -4.756 6.911 1.00 0.00 C ATOM 1664 CG1 ILE A 103 14.433 -5.814 5.926 1.00 0.00 C ATOM 1665 CG2 ILE A 103 12.830 -3.931 6.318 1.00 0.00 C ATOM 1666 CD1 ILE A 103 13.383 -6.845 5.617 1.00 0.00 C ATOM 0 H ILE A 103 15.735 -5.145 8.835 1.00 0.00 H new ATOM 0 HA ILE A 103 15.673 -3.582 6.360 1.00 0.00 H new ATOM 0 HB ILE A 103 13.589 -5.236 7.813 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.738 -5.328 4.999 1.00 0.00 H new ATOM 0 HG13 ILE A 103 15.314 -6.313 6.329 1.00 0.00 H new ATOM 0 HG21 ILE A 103 11.998 -4.589 6.065 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.499 -3.191 7.047 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.178 -3.424 5.418 1.00 0.00 H new ATOM 0 HD11 ILE A 103 13.782 -7.569 4.907 1.00 0.00 H new ATOM 0 HD12 ILE A 103 13.095 -7.357 6.535 1.00 0.00 H new ATOM 0 HD13 ILE A 103 12.510 -6.357 5.185 1.00 0.00 H new ATOM 1678 N GLU A 104 14.895 -1.511 7.306 1.00 0.00 N ATOM 1679 CA GLU A 104 14.505 -0.214 7.801 1.00 0.00 C ATOM 1680 C GLU A 104 12.998 -0.064 7.702 1.00 0.00 C ATOM 1681 O GLU A 104 12.315 0.256 8.674 1.00 0.00 O ATOM 1682 CB GLU A 104 15.188 0.859 6.966 1.00 0.00 C ATOM 1683 CG GLU A 104 16.555 0.428 6.468 1.00 0.00 C ATOM 1684 CD GLU A 104 17.328 1.560 5.820 1.00 0.00 C ATOM 1685 OE1 GLU A 104 16.711 2.378 5.107 1.00 0.00 O ATOM 1686 OE2 GLU A 104 18.562 1.639 6.020 1.00 0.00 O ATOM 0 H GLU A 104 15.351 -1.486 6.394 1.00 0.00 H new ATOM 0 HA GLU A 104 14.803 -0.110 8.844 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.556 1.107 6.113 1.00 0.00 H new ATOM 0 HB3 GLU A 104 15.292 1.766 7.561 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.132 0.031 7.303 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.436 -0.383 5.749 1.00 0.00 H new ATOM 1693 N TYR A 105 12.504 -0.308 6.500 1.00 0.00 N ATOM 1694 CA TYR A 105 11.085 -0.190 6.195 1.00 0.00 C ATOM 1695 C TYR A 105 10.784 -0.819 4.839 1.00 0.00 C ATOM 1696 O TYR A 105 11.670 -1.381 4.194 1.00 0.00 O ATOM 1697 CB TYR A 105 10.660 1.286 6.195 1.00 0.00 C ATOM 1698 CG TYR A 105 11.575 2.182 5.389 1.00 0.00 C ATOM 1699 CD1 TYR A 105 11.507 2.225 4.003 1.00 0.00 C ATOM 1700 CD2 TYR A 105 12.520 2.977 6.022 1.00 0.00 C ATOM 1701 CE1 TYR A 105 12.356 3.030 3.273 1.00 0.00 C ATOM 1702 CE2 TYR A 105 13.368 3.787 5.299 1.00 0.00 C ATOM 1703 CZ TYR A 105 13.283 3.809 3.925 1.00 0.00 C ATOM 1704 OH TYR A 105 14.132 4.610 3.202 1.00 0.00 O ATOM 0 H TYR A 105 13.076 -0.594 5.705 1.00 0.00 H new ATOM 0 HA TYR A 105 10.520 -0.718 6.963 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.648 1.364 5.798 1.00 0.00 H new ATOM 0 HB3 TYR A 105 10.627 1.646 7.223 1.00 0.00 H new ATOM 0 HD1 TYR A 105 10.777 1.618 3.488 1.00 0.00 H new ATOM 0 HD2 TYR A 105 12.592 2.960 7.099 1.00 0.00 H new ATOM 0 HE1 TYR A 105 12.293 3.049 2.195 1.00 0.00 H new ATOM 0 HE2 TYR A 105 14.096 4.402 5.808 1.00 0.00 H new ATOM 0 HH TYR A 105 14.724 5.096 3.814 1.00 0.00 H new ATOM 1714 N ILE A 106 9.536 -0.711 4.411 1.00 0.00 N ATOM 1715 CA ILE A 106 9.102 -1.259 3.137 1.00 0.00 C ATOM 1716 C ILE A 106 8.713 -0.124 2.195 1.00 0.00 C ATOM 1717 O ILE A 106 8.125 0.872 2.623 1.00 0.00 O ATOM 1718 CB ILE A 106 7.888 -2.201 3.322 1.00 0.00 C ATOM 1719 CG1 ILE A 106 8.174 -3.242 4.404 1.00 0.00 C ATOM 1720 CG2 ILE A 106 7.533 -2.894 2.013 1.00 0.00 C ATOM 1721 CD1 ILE A 106 6.997 -4.148 4.696 1.00 0.00 C ATOM 0 H ILE A 106 8.798 -0.242 4.936 1.00 0.00 H new ATOM 0 HA ILE A 106 9.928 -1.831 2.715 1.00 0.00 H new ATOM 0 HB ILE A 106 7.038 -1.594 3.634 1.00 0.00 H new ATOM 0 HG12 ILE A 106 9.024 -3.851 4.095 1.00 0.00 H new ATOM 0 HG13 ILE A 106 8.465 -2.730 5.321 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.677 -3.550 2.169 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.284 -2.145 1.261 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.384 -3.483 1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.271 -4.861 5.473 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.152 -3.549 5.035 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.719 -4.687 3.790 1.00 0.00 H new ATOM 1733 N ILE A 107 9.009 -0.285 0.919 1.00 0.00 N ATOM 1734 CA ILE A 107 8.705 0.728 -0.076 1.00 0.00 C ATOM 1735 C ILE A 107 7.782 0.119 -1.112 1.00 0.00 C ATOM 1736 O ILE A 107 8.207 -0.714 -1.917 1.00 0.00 O ATOM 1737 CB ILE A 107 9.977 1.254 -0.778 1.00 0.00 C ATOM 1738 CG1 ILE A 107 10.964 1.808 0.250 1.00 0.00 C ATOM 1739 CG2 ILE A 107 9.612 2.322 -1.803 1.00 0.00 C ATOM 1740 CD1 ILE A 107 12.269 2.281 -0.354 1.00 0.00 C ATOM 0 H ILE A 107 9.465 -1.117 0.544 1.00 0.00 H new ATOM 0 HA ILE A 107 8.234 1.572 0.428 1.00 0.00 H new ATOM 0 HB ILE A 107 10.456 0.425 -1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.496 2.638 0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.175 1.037 0.991 1.00 0.00 H new ATOM 0 HG21 ILE A 107 10.518 2.684 -2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.944 1.895 -2.551 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.113 3.152 -1.302 1.00 0.00 H new ATOM 0 HD11 ILE A 107 12.919 2.660 0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 107 12.759 1.448 -0.859 1.00 0.00 H new ATOM 0 HD13 ILE A 107 12.070 3.075 -1.074 1.00 0.00 H new ATOM 1752 N CYS A 108 6.520 0.504 -1.079 1.00 0.00 N ATOM 1753 CA CYS A 108 5.532 -0.115 -1.945 1.00 0.00 C ATOM 1754 C CYS A 108 4.900 0.880 -2.903 1.00 0.00 C ATOM 1755 O CYS A 108 4.566 1.996 -2.527 1.00 0.00 O ATOM 1756 CB CYS A 108 4.442 -0.786 -1.114 1.00 0.00 C ATOM 1757 SG CYS A 108 4.995 -2.253 -0.213 1.00 0.00 S ATOM 0 H CYS A 108 6.156 1.235 -0.468 1.00 0.00 H new ATOM 0 HA CYS A 108 6.057 -0.863 -2.540 1.00 0.00 H new ATOM 0 HB2 CYS A 108 4.047 -0.062 -0.401 1.00 0.00 H new ATOM 0 HB3 CYS A 108 3.619 -1.066 -1.772 1.00 0.00 H new ATOM 0 HG CYS A 108 4.692 -2.129 1.045 1.00 0.00 H new ATOM 1763 N THR A 109 4.751 0.464 -4.148 1.00 0.00 N ATOM 1764 CA THR A 109 3.982 1.222 -5.115 1.00 0.00 C ATOM 1765 C THR A 109 2.585 0.619 -5.215 1.00 0.00 C ATOM 1766 O THR A 109 2.438 -0.603 -5.250 1.00 0.00 O ATOM 1767 CB THR A 109 4.644 1.220 -6.510 1.00 0.00 C ATOM 1768 OG1 THR A 109 6.007 1.656 -6.411 1.00 0.00 O ATOM 1769 CG2 THR A 109 3.890 2.132 -7.468 1.00 0.00 C ATOM 0 H THR A 109 5.155 -0.399 -4.513 1.00 0.00 H new ATOM 0 HA THR A 109 3.933 2.257 -4.775 1.00 0.00 H new ATOM 0 HB THR A 109 4.614 0.201 -6.897 1.00 0.00 H new ATOM 0 HG1 THR A 109 6.418 1.649 -7.301 1.00 0.00 H new ATOM 0 HG21 THR A 109 4.375 2.115 -8.444 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.861 1.785 -7.567 1.00 0.00 H new ATOM 0 HG23 THR A 109 3.893 3.150 -7.079 1.00 0.00 H new ATOM 1777 N ASN A 110 1.573 1.468 -5.267 1.00 0.00 N ATOM 1778 CA ASN A 110 0.198 0.998 -5.294 1.00 0.00 C ATOM 1779 C ASN A 110 -0.429 1.332 -6.638 1.00 0.00 C ATOM 1780 O ASN A 110 -0.670 2.498 -6.949 1.00 0.00 O ATOM 1781 CB ASN A 110 -0.612 1.626 -4.156 1.00 0.00 C ATOM 1782 CG ASN A 110 -0.113 1.207 -2.783 1.00 0.00 C ATOM 1783 OD1 ASN A 110 0.784 1.831 -2.218 1.00 0.00 O ATOM 1784 ND2 ASN A 110 -0.703 0.158 -2.229 1.00 0.00 N ATOM 0 H ASN A 110 1.676 2.482 -5.291 1.00 0.00 H new ATOM 0 HA ASN A 110 0.193 -0.083 -5.155 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -0.567 2.712 -4.239 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.659 1.342 -4.260 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -0.417 -0.158 -1.302 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -1.444 -0.334 -2.729 1.00 0.00 H new ATOM 1791 N THR A 111 -0.683 0.300 -7.426 1.00 0.00 N ATOM 1792 CA THR A 111 -1.213 0.465 -8.764 1.00 0.00 C ATOM 1793 C THR A 111 -2.694 0.120 -8.808 1.00 0.00 C ATOM 1794 O THR A 111 -3.075 -1.025 -8.573 1.00 0.00 O ATOM 1795 CB THR A 111 -0.462 -0.447 -9.755 1.00 0.00 C ATOM 1796 OG1 THR A 111 0.942 -0.160 -9.718 1.00 0.00 O ATOM 1797 CG2 THR A 111 -0.990 -0.271 -11.172 1.00 0.00 C ATOM 0 H THR A 111 -0.527 -0.671 -7.155 1.00 0.00 H new ATOM 0 HA THR A 111 -1.078 1.509 -9.046 1.00 0.00 H new ATOM 0 HB THR A 111 -0.628 -1.482 -9.456 1.00 0.00 H new ATOM 0 HG1 THR A 111 1.152 0.530 -10.382 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.442 -0.926 -11.849 1.00 0.00 H new ATOM 0 HG22 THR A 111 -2.050 -0.525 -11.200 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.857 0.765 -11.484 1.00 0.00 H new ATOM 1805 N ASN A 112 -3.524 1.102 -9.117 1.00 0.00 N ATOM 1806 CA ASN A 112 -4.953 0.863 -9.251 1.00 0.00 C ATOM 1807 C ASN A 112 -5.198 0.143 -10.570 1.00 0.00 C ATOM 1808 O ASN A 112 -5.032 0.723 -11.640 1.00 0.00 O ATOM 1809 CB ASN A 112 -5.712 2.191 -9.204 1.00 0.00 C ATOM 1810 CG ASN A 112 -7.229 2.038 -9.257 1.00 0.00 C ATOM 1811 OD1 ASN A 112 -7.924 2.891 -9.807 1.00 0.00 O ATOM 1812 ND2 ASN A 112 -7.759 0.972 -8.670 1.00 0.00 N ATOM 0 H ASN A 112 -3.236 2.067 -9.279 1.00 0.00 H new ATOM 0 HA ASN A 112 -5.313 0.245 -8.429 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.442 2.721 -8.290 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.390 2.812 -10.040 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -8.771 0.842 -8.666 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -7.155 0.283 -8.223 1.00 0.00 H new ATOM 1819 N VAL A 113 -5.567 -1.127 -10.487 1.00 0.00 N ATOM 1820 CA VAL A 113 -5.673 -1.966 -11.667 1.00 0.00 C ATOM 1821 C VAL A 113 -7.094 -1.975 -12.234 1.00 0.00 C ATOM 1822 O VAL A 113 -7.664 -0.916 -12.484 1.00 0.00 O ATOM 1823 CB VAL A 113 -5.203 -3.411 -11.378 1.00 0.00 C ATOM 1824 CG1 VAL A 113 -3.743 -3.587 -11.759 1.00 0.00 C ATOM 1825 CG2 VAL A 113 -5.383 -3.767 -9.918 1.00 0.00 C ATOM 0 H VAL A 113 -5.798 -1.598 -9.612 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.013 -1.533 -12.419 1.00 0.00 H new ATOM 0 HB VAL A 113 -5.819 -4.078 -11.981 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -3.433 -4.610 -11.548 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.617 -3.382 -12.822 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -3.130 -2.895 -11.181 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.043 -4.789 -9.748 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.799 -3.083 -9.302 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.437 -3.686 -9.651 1.00 0.00 H new ATOM 1835 N LYS A 114 -7.650 -3.170 -12.439 1.00 0.00 N ATOM 1836 CA LYS A 114 -8.962 -3.331 -13.064 1.00 0.00 C ATOM 1837 C LYS A 114 -10.036 -2.551 -12.325 1.00 0.00 C ATOM 1838 O LYS A 114 -11.000 -2.097 -12.945 1.00 0.00 O ATOM 1839 CB LYS A 114 -9.334 -4.806 -13.117 1.00 0.00 C ATOM 1840 CG LYS A 114 -8.247 -5.668 -13.744 1.00 0.00 C ATOM 1841 CD LYS A 114 -8.764 -7.038 -14.144 1.00 0.00 C ATOM 1842 CE LYS A 114 -9.738 -6.951 -15.310 1.00 0.00 C ATOM 1843 NZ LYS A 114 -9.152 -6.232 -16.476 1.00 0.00 N ATOM 0 H LYS A 114 -7.205 -4.050 -12.177 1.00 0.00 H new ATOM 0 HA LYS A 114 -8.900 -2.933 -14.077 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -9.535 -5.162 -12.106 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -10.257 -4.923 -13.685 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.845 -5.162 -14.622 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.424 -5.783 -13.038 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.925 -7.679 -14.417 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -9.257 -7.505 -13.291 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -10.030 -7.956 -15.614 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -10.645 -6.439 -14.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.712 -6.438 -17.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -9.163 -5.208 -16.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.172 -6.547 -16.621 1.00 0.00 H new ATOM 1857 N ASN A 115 -9.878 -2.412 -11.008 1.00 0.00 N ATOM 1858 CA ASN A 115 -10.697 -1.485 -10.232 1.00 0.00 C ATOM 1859 C ASN A 115 -12.138 -1.991 -10.101 1.00 0.00 C ATOM 1860 O ASN A 115 -12.966 -1.782 -10.988 1.00 0.00 O ATOM 1861 CB ASN A 115 -10.669 -0.123 -10.923 1.00 0.00 C ATOM 1862 CG ASN A 115 -11.119 1.017 -10.042 1.00 0.00 C ATOM 1863 OD1 ASN A 115 -10.916 0.994 -8.833 1.00 0.00 O ATOM 1864 ND2 ASN A 115 -11.724 2.027 -10.648 1.00 0.00 N ATOM 0 H ASN A 115 -9.191 -2.929 -10.459 1.00 0.00 H new ATOM 0 HA ASN A 115 -10.292 -1.403 -9.223 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -9.655 0.077 -11.270 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -11.307 -0.161 -11.806 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -12.043 2.830 -10.106 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -11.871 2.002 -11.657 1.00 0.00 H new ATOM 1871 N SER A 116 -12.420 -2.650 -8.983 1.00 0.00 N ATOM 1872 CA SER A 116 -13.714 -3.280 -8.752 1.00 0.00 C ATOM 1873 C SER A 116 -14.848 -2.258 -8.722 1.00 0.00 C ATOM 1874 O SER A 116 -15.962 -2.540 -9.162 1.00 0.00 O ATOM 1875 CB SER A 116 -13.674 -4.028 -7.424 1.00 0.00 C ATOM 1876 OG SER A 116 -12.372 -4.525 -7.168 1.00 0.00 O ATOM 0 H SER A 116 -11.760 -2.762 -8.213 1.00 0.00 H new ATOM 0 HA SER A 116 -13.907 -3.967 -9.576 1.00 0.00 H new ATOM 0 HB2 SER A 116 -13.980 -3.362 -6.617 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.386 -4.853 -7.444 1.00 0.00 H new ATOM 0 HG SER A 116 -12.060 -5.039 -7.942 1.00 0.00 H new ATOM 1882 N SER A 117 -14.568 -1.080 -8.190 1.00 0.00 N ATOM 1883 CA SER A 117 -15.590 -0.063 -8.043 1.00 0.00 C ATOM 1884 C SER A 117 -15.050 1.280 -8.518 1.00 0.00 C ATOM 1885 O SER A 117 -13.874 1.382 -8.855 1.00 0.00 O ATOM 1886 CB SER A 117 -16.048 0.013 -6.585 1.00 0.00 C ATOM 1887 OG SER A 117 -17.364 0.527 -6.495 1.00 0.00 O ATOM 0 H SER A 117 -13.644 -0.807 -7.854 1.00 0.00 H new ATOM 0 HA SER A 117 -16.453 -0.324 -8.656 1.00 0.00 H new ATOM 0 HB2 SER A 117 -16.009 -0.979 -6.135 1.00 0.00 H new ATOM 0 HB3 SER A 117 -15.366 0.647 -6.018 1.00 0.00 H new ATOM 0 HG SER A 117 -17.340 1.417 -6.085 1.00 0.00 H new ATOM 1893 N GLN A 118 -15.910 2.298 -8.536 1.00 0.00 N ATOM 1894 CA GLN A 118 -15.565 3.610 -9.083 1.00 0.00 C ATOM 1895 C GLN A 118 -15.301 3.512 -10.579 1.00 0.00 C ATOM 1896 O GLN A 118 -14.490 4.252 -11.136 1.00 0.00 O ATOM 1897 CB GLN A 118 -14.361 4.228 -8.358 1.00 0.00 C ATOM 1898 CG GLN A 118 -14.687 4.756 -6.969 1.00 0.00 C ATOM 1899 CD GLN A 118 -15.632 5.948 -6.995 1.00 0.00 C ATOM 1900 OE1 GLN A 118 -16.470 6.083 -7.885 1.00 0.00 O ATOM 1901 NE2 GLN A 118 -15.499 6.827 -6.017 1.00 0.00 N ATOM 0 H GLN A 118 -16.861 2.237 -8.174 1.00 0.00 H new ATOM 0 HA GLN A 118 -16.417 4.270 -8.922 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -13.574 3.479 -8.276 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -13.964 5.043 -8.963 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -15.135 3.957 -6.378 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -13.762 5.043 -6.469 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -14.793 6.684 -5.295 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -16.102 7.649 -5.984 1.00 0.00 H new ATOM 1910 N GLU A 119 -16.006 2.593 -11.218 1.00 0.00 N ATOM 1911 CA GLU A 119 -15.925 2.414 -12.651 1.00 0.00 C ATOM 1912 C GLU A 119 -17.226 1.808 -13.147 1.00 0.00 C ATOM 1913 O GLU A 119 -18.032 2.549 -13.748 1.00 0.00 O ATOM 1914 CB GLU A 119 -14.729 1.532 -13.028 1.00 0.00 C ATOM 1915 CG GLU A 119 -14.570 1.323 -14.530 1.00 0.00 C ATOM 1916 CD GLU A 119 -14.550 2.626 -15.306 1.00 0.00 C ATOM 1917 OE1 GLU A 119 -13.592 3.410 -15.138 1.00 0.00 O ATOM 1918 OE2 GLU A 119 -15.504 2.880 -16.072 1.00 0.00 O ATOM 1919 OXT GLU A 119 -17.459 0.606 -12.893 1.00 0.00 O ATOM 0 H GLU A 119 -16.650 1.952 -10.754 1.00 0.00 H new ATOM 0 HA GLU A 119 -15.774 3.383 -13.127 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -13.818 1.983 -12.635 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -14.838 0.561 -12.545 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -13.646 0.778 -14.720 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -15.388 0.701 -14.894 1.00 0.00 H new TER 1926 GLU A 119