USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 480 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -169:sc=-0.00155 (180deg=-0.091) USER MOD Single : A 56 THR OG1 : rot 83:sc= 1.26 USER MOD Single : A 58 SER OG : rot 91:sc= 1.6 USER MOD Single : A 63 ASN : amide:sc= 0.671 K(o=0.67,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.26) USER MOD Single : A 74 ASN : amide:sc= -0.278 K(o=-0.28,f=-1.2) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= 0.398 K(o=0.4,f=-7.9!) USER MOD Single : A 80 LYS NZ :NH3+ 169:sc=-0.00673 (180deg=-0.135) USER MOD Single : A 82 ASN : amide:sc= -0.526 K(o=-0.53,f=-5.4!) USER MOD Single : A 85 ASN : amide:sc= -0.395 X(o=-0.4,f=0) USER MOD Single : A 87 ASN : amide:sc= -0.382 X(o=-0.38,f=-0.17) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.988 K(o=-0.99,f=-2.3) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 151:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -0.757 X(o=-0.76,f=-0.28) USER MOD Single : A 97 LYS NZ :NH3+ 147:sc= 0.815 (180deg=-0.339) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 172:sc= 2.33 (180deg=2.26) USER MOD Single : A 107 GLN : amide:sc= 0.0134 X(o=0.013,f=0) USER MOD ----------------------------------------------------------------- ATOM 8 N GLU A 48 -0.111 11.777 -5.386 1.00 0.00 N ATOM 9 CA GLU A 48 0.560 10.559 -5.797 1.00 0.00 C ATOM 10 C GLU A 48 0.706 9.576 -4.660 1.00 0.00 C ATOM 11 O GLU A 48 0.306 8.428 -4.804 1.00 0.00 O ATOM 12 CB GLU A 48 1.914 10.933 -6.390 1.00 0.00 C ATOM 13 CG GLU A 48 2.768 9.697 -6.750 1.00 0.00 C ATOM 14 CD GLU A 48 3.507 9.771 -8.095 1.00 0.00 C ATOM 15 OE1 GLU A 48 3.912 10.877 -8.535 1.00 0.00 O ATOM 16 OE2 GLU A 48 3.721 8.706 -8.717 1.00 0.00 O ATOM 0 HA GLU A 48 -0.046 10.054 -6.549 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.760 11.537 -7.285 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.460 11.552 -5.678 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.503 9.542 -5.960 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.121 8.820 -6.759 1.00 0.00 H new ATOM 23 N VAL A 49 1.252 10.026 -3.537 1.00 0.00 N ATOM 24 CA VAL A 49 1.467 9.192 -2.368 1.00 0.00 C ATOM 25 C VAL A 49 0.173 8.491 -1.952 1.00 0.00 C ATOM 26 O VAL A 49 0.163 7.275 -1.801 1.00 0.00 O ATOM 27 CB VAL A 49 2.124 10.052 -1.280 1.00 0.00 C ATOM 28 CG1 VAL A 49 1.215 11.189 -0.797 1.00 0.00 C ATOM 29 CG2 VAL A 49 2.603 9.176 -0.126 1.00 0.00 C ATOM 0 H VAL A 49 1.560 10.991 -3.414 1.00 0.00 H new ATOM 0 HA VAL A 49 2.153 8.372 -2.581 1.00 0.00 H new ATOM 0 HB VAL A 49 2.993 10.536 -1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.730 11.765 -0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.971 11.841 -1.636 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.297 10.771 -0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.067 9.801 0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.754 8.646 0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.331 8.454 -0.495 1.00 0.00 H new ATOM 39 N ARG A 50 -0.942 9.210 -1.811 1.00 0.00 N ATOM 40 CA ARG A 50 -2.190 8.561 -1.425 1.00 0.00 C ATOM 41 C ARG A 50 -2.659 7.612 -2.511 1.00 0.00 C ATOM 42 O ARG A 50 -3.233 6.584 -2.171 1.00 0.00 O ATOM 43 CB ARG A 50 -3.283 9.578 -1.130 1.00 0.00 C ATOM 44 CG ARG A 50 -3.136 10.298 0.212 1.00 0.00 C ATOM 45 CD ARG A 50 -4.481 10.933 0.568 1.00 0.00 C ATOM 46 NE ARG A 50 -4.369 11.808 1.742 1.00 0.00 N ATOM 47 CZ ARG A 50 -4.045 13.103 1.737 1.00 0.00 C ATOM 48 NH1 ARG A 50 -3.965 13.805 0.612 1.00 0.00 N ATOM 49 NH2 ARG A 50 -3.776 13.687 2.895 1.00 0.00 N ATOM 0 H ARG A 50 -1.005 10.218 -1.955 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.991 7.997 -0.514 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.294 10.321 -1.927 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.248 9.072 -1.152 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.831 9.596 0.988 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.361 11.061 0.150 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.849 11.508 -0.282 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.213 10.150 0.765 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.557 11.385 2.651 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.154 13.356 -0.284 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.715 14.793 0.644 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.819 13.148 3.760 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.525 14.675 2.922 1.00 0.00 H new ATOM 63 N ASN A 51 -2.432 7.930 -3.789 1.00 0.00 N ATOM 64 CA ASN A 51 -2.888 7.047 -4.860 1.00 0.00 C ATOM 65 C ASN A 51 -2.078 5.764 -4.886 1.00 0.00 C ATOM 66 O ASN A 51 -2.669 4.694 -4.990 1.00 0.00 O ATOM 67 CB ASN A 51 -2.911 7.743 -6.224 1.00 0.00 C ATOM 68 CG ASN A 51 -4.264 8.410 -6.413 1.00 0.00 C ATOM 69 OD1 ASN A 51 -5.193 7.813 -6.947 1.00 0.00 O ATOM 70 ND2 ASN A 51 -4.425 9.630 -5.932 1.00 0.00 N ATOM 0 H ASN A 51 -1.947 8.772 -4.100 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.922 6.781 -4.642 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.114 8.484 -6.283 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.733 7.020 -7.020 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.333 10.090 -6.002 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.642 10.112 -5.491 1.00 0.00 H new ATOM 77 N ILE A 52 -0.747 5.835 -4.785 1.00 0.00 N ATOM 78 CA ILE A 52 0.063 4.628 -4.784 1.00 0.00 C ATOM 79 C ILE A 52 -0.261 3.814 -3.532 1.00 0.00 C ATOM 80 O ILE A 52 -0.292 2.592 -3.630 1.00 0.00 O ATOM 81 CB ILE A 52 1.567 4.934 -4.929 1.00 0.00 C ATOM 82 CG1 ILE A 52 2.341 3.632 -5.166 1.00 0.00 C ATOM 83 CG2 ILE A 52 2.159 5.604 -3.689 1.00 0.00 C ATOM 84 CD1 ILE A 52 3.659 3.840 -5.911 1.00 0.00 C ATOM 0 H ILE A 52 -0.220 6.705 -4.704 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.186 4.028 -5.660 1.00 0.00 H new ATOM 0 HB ILE A 52 1.661 5.619 -5.772 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.545 3.159 -4.206 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.715 2.944 -5.734 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.220 5.795 -3.850 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.645 6.547 -3.504 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.035 4.948 -2.827 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.156 2.879 -6.046 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.460 4.285 -6.886 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.302 4.504 -5.334 1.00 0.00 H new ATOM 96 N VAL A 53 -0.515 4.462 -2.387 1.00 0.00 N ATOM 97 CA VAL A 53 -0.850 3.802 -1.136 1.00 0.00 C ATOM 98 C VAL A 53 -2.140 3.025 -1.358 1.00 0.00 C ATOM 99 O VAL A 53 -2.137 1.811 -1.218 1.00 0.00 O ATOM 100 CB VAL A 53 -0.968 4.849 -0.002 1.00 0.00 C ATOM 101 CG1 VAL A 53 -1.830 4.387 1.181 1.00 0.00 C ATOM 102 CG2 VAL A 53 0.418 5.263 0.505 1.00 0.00 C ATOM 0 H VAL A 53 -0.491 5.479 -2.312 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.071 3.105 -0.828 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.475 5.705 -0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.865 5.174 1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.840 4.172 0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.397 3.486 1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.309 5.999 1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.941 4.387 0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.991 5.697 -0.315 1.00 0.00 H new ATOM 112 N ASP A 54 -3.209 3.722 -1.727 1.00 0.00 N ATOM 113 CA ASP A 54 -4.543 3.200 -1.990 1.00 0.00 C ATOM 114 C ASP A 54 -4.491 2.021 -2.973 1.00 0.00 C ATOM 115 O ASP A 54 -4.984 0.936 -2.669 1.00 0.00 O ATOM 116 CB ASP A 54 -5.367 4.378 -2.523 1.00 0.00 C ATOM 117 CG ASP A 54 -6.806 4.050 -2.878 1.00 0.00 C ATOM 118 OD1 ASP A 54 -7.613 3.826 -1.956 1.00 0.00 O ATOM 119 OD2 ASP A 54 -7.175 4.213 -4.056 1.00 0.00 O ATOM 0 H ASP A 54 -3.163 4.732 -1.859 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.004 2.798 -1.088 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.365 5.170 -1.774 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.872 4.776 -3.409 1.00 0.00 H new ATOM 124 N LYS A 55 -3.826 2.186 -4.120 1.00 0.00 N ATOM 125 CA LYS A 55 -3.703 1.156 -5.149 1.00 0.00 C ATOM 126 C LYS A 55 -2.860 -0.024 -4.690 1.00 0.00 C ATOM 127 O LYS A 55 -3.266 -1.165 -4.923 1.00 0.00 O ATOM 128 CB LYS A 55 -3.143 1.786 -6.425 1.00 0.00 C ATOM 129 CG LYS A 55 -4.244 2.597 -7.116 1.00 0.00 C ATOM 130 CD LYS A 55 -3.685 3.383 -8.313 1.00 0.00 C ATOM 131 CE LYS A 55 -4.784 3.949 -9.225 1.00 0.00 C ATOM 132 NZ LYS A 55 -5.538 2.892 -9.938 1.00 0.00 N ATOM 0 H LYS A 55 -3.350 3.056 -4.361 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.694 0.752 -5.352 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.297 2.430 -6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.772 1.010 -7.095 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.035 1.928 -7.454 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.694 3.287 -6.402 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.067 4.203 -7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.035 2.731 -8.897 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.476 4.542 -8.627 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.334 4.623 -9.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.134 3.326 -10.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.871 2.228 -10.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.140 2.379 -9.262 1.00 0.00 H new ATOM 146 N THR A 56 -1.705 0.223 -4.068 1.00 0.00 N ATOM 147 CA THR A 56 -0.866 -0.864 -3.577 1.00 0.00 C ATOM 148 C THR A 56 -1.654 -1.635 -2.513 1.00 0.00 C ATOM 149 O THR A 56 -1.653 -2.865 -2.517 1.00 0.00 O ATOM 150 CB THR A 56 0.462 -0.305 -3.037 1.00 0.00 C ATOM 151 OG1 THR A 56 1.111 0.394 -4.075 1.00 0.00 O ATOM 152 CG2 THR A 56 1.401 -1.398 -2.511 1.00 0.00 C ATOM 0 H THR A 56 -1.335 1.158 -3.895 1.00 0.00 H new ATOM 0 HA THR A 56 -0.609 -1.552 -4.382 1.00 0.00 H new ATOM 0 HB THR A 56 0.226 0.349 -2.198 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.751 1.304 -4.132 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.320 -0.942 -2.144 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.913 -1.937 -1.698 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.637 -2.093 -3.317 1.00 0.00 H new ATOM 160 N ALA A 57 -2.347 -0.917 -1.620 1.00 0.00 N ATOM 161 CA ALA A 57 -3.139 -1.507 -0.560 1.00 0.00 C ATOM 162 C ALA A 57 -4.200 -2.403 -1.176 1.00 0.00 C ATOM 163 O ALA A 57 -4.347 -3.513 -0.694 1.00 0.00 O ATOM 164 CB ALA A 57 -3.749 -0.440 0.350 1.00 0.00 C ATOM 0 H ALA A 57 -2.366 0.103 -1.623 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.493 -2.112 0.076 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.336 -0.921 1.132 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.953 0.149 0.804 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.394 0.213 -0.237 1.00 0.00 H new ATOM 170 N SER A 58 -4.870 -1.969 -2.246 1.00 0.00 N ATOM 171 CA SER A 58 -5.890 -2.736 -2.947 1.00 0.00 C ATOM 172 C SER A 58 -5.315 -4.088 -3.387 1.00 0.00 C ATOM 173 O SER A 58 -5.829 -5.139 -3.019 1.00 0.00 O ATOM 174 CB SER A 58 -6.367 -1.909 -4.149 1.00 0.00 C ATOM 175 OG SER A 58 -7.482 -2.472 -4.797 1.00 0.00 O ATOM 0 H SER A 58 -4.710 -1.049 -2.656 1.00 0.00 H new ATOM 0 HA SER A 58 -6.739 -2.940 -2.294 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.619 -0.903 -3.814 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.549 -1.812 -4.863 1.00 0.00 H new ATOM 0 HG SER A 58 -8.305 -2.117 -4.400 1.00 0.00 H new ATOM 181 N PHE A 59 -4.193 -4.096 -4.108 1.00 0.00 N ATOM 182 CA PHE A 59 -3.589 -5.337 -4.587 1.00 0.00 C ATOM 183 C PHE A 59 -3.200 -6.274 -3.457 1.00 0.00 C ATOM 184 O PHE A 59 -3.417 -7.484 -3.549 1.00 0.00 O ATOM 185 CB PHE A 59 -2.383 -4.991 -5.444 1.00 0.00 C ATOM 186 CG PHE A 59 -1.927 -6.110 -6.350 1.00 0.00 C ATOM 187 CD1 PHE A 59 -2.525 -6.256 -7.614 1.00 0.00 C ATOM 188 CD2 PHE A 59 -0.926 -7.010 -5.939 1.00 0.00 C ATOM 189 CE1 PHE A 59 -2.131 -7.298 -8.464 1.00 0.00 C ATOM 190 CE2 PHE A 59 -0.528 -8.046 -6.802 1.00 0.00 C ATOM 191 CZ PHE A 59 -1.127 -8.192 -8.063 1.00 0.00 C ATOM 0 H PHE A 59 -3.684 -3.253 -4.373 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.331 -5.873 -5.179 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.622 -4.120 -6.053 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.557 -4.707 -4.792 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.290 -5.563 -7.931 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.467 -6.905 -4.967 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.601 -7.413 -9.430 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.244 -8.735 -6.492 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.816 -8.989 -8.722 1.00 0.00 H new ATOM 201 N VAL A 60 -2.607 -5.724 -2.402 1.00 0.00 N ATOM 202 CA VAL A 60 -2.187 -6.473 -1.230 1.00 0.00 C ATOM 203 C VAL A 60 -3.431 -6.918 -0.449 1.00 0.00 C ATOM 204 O VAL A 60 -3.402 -7.925 0.253 1.00 0.00 O ATOM 205 CB VAL A 60 -1.224 -5.579 -0.433 1.00 0.00 C ATOM 206 CG1 VAL A 60 -0.795 -6.198 0.893 1.00 0.00 C ATOM 207 CG2 VAL A 60 0.065 -5.353 -1.242 1.00 0.00 C ATOM 0 H VAL A 60 -2.403 -4.727 -2.340 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.651 -7.388 -1.480 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.766 -4.653 -0.240 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.116 -5.519 1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.674 -6.373 1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.288 -7.145 0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.745 -4.719 -0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.543 -6.312 -1.440 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.179 -4.868 -2.187 1.00 0.00 H new ATOM 217 N ALA A 61 -4.544 -6.201 -0.552 1.00 0.00 N ATOM 218 CA ALA A 61 -5.782 -6.539 0.112 1.00 0.00 C ATOM 219 C ALA A 61 -6.382 -7.743 -0.609 1.00 0.00 C ATOM 220 O ALA A 61 -6.877 -8.653 0.057 1.00 0.00 O ATOM 221 CB ALA A 61 -6.722 -5.323 0.118 1.00 0.00 C ATOM 0 H ALA A 61 -4.605 -5.351 -1.113 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.616 -6.805 1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.653 -5.585 0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.245 -4.497 0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.935 -5.023 -0.908 1.00 0.00 H new ATOM 227 N ARG A 62 -6.305 -7.785 -1.947 1.00 0.00 N ATOM 228 CA ARG A 62 -6.865 -8.908 -2.691 1.00 0.00 C ATOM 229 C ARG A 62 -5.973 -10.143 -2.594 1.00 0.00 C ATOM 230 O ARG A 62 -6.404 -11.199 -2.134 1.00 0.00 O ATOM 231 CB ARG A 62 -7.105 -8.517 -4.156 1.00 0.00 C ATOM 232 CG ARG A 62 -8.061 -7.334 -4.306 1.00 0.00 C ATOM 233 CD ARG A 62 -8.534 -7.176 -5.748 1.00 0.00 C ATOM 234 NE ARG A 62 -9.500 -6.075 -5.839 1.00 0.00 N ATOM 235 CZ ARG A 62 -10.062 -5.604 -6.952 1.00 0.00 C ATOM 236 NH1 ARG A 62 -9.828 -6.169 -8.130 1.00 0.00 N ATOM 237 NH2 ARG A 62 -10.877 -4.563 -6.878 1.00 0.00 N ATOM 0 H ARG A 62 -5.867 -7.065 -2.522 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.825 -9.163 -2.241 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.151 -8.268 -4.622 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.509 -9.375 -4.694 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.922 -7.476 -3.653 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.563 -6.420 -3.983 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.683 -6.979 -6.400 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.992 -8.103 -6.093 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.768 -5.626 -4.963 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.209 -6.977 -8.194 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.267 -5.795 -8.971 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.070 -4.129 -5.975 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.312 -4.195 -7.724 1.00 0.00 H new ATOM 251 N ASN A 63 -4.707 -10.002 -2.986 1.00 0.00 N ATOM 252 CA ASN A 63 -3.734 -11.094 -2.999 1.00 0.00 C ATOM 253 C ASN A 63 -3.193 -11.473 -1.622 1.00 0.00 C ATOM 254 O ASN A 63 -2.526 -12.498 -1.507 1.00 0.00 O ATOM 255 CB ASN A 63 -2.554 -10.784 -3.929 1.00 0.00 C ATOM 256 CG ASN A 63 -2.930 -10.602 -5.389 1.00 0.00 C ATOM 257 OD1 ASN A 63 -2.860 -11.540 -6.182 1.00 0.00 O ATOM 258 ND2 ASN A 63 -3.307 -9.399 -5.781 1.00 0.00 N ATOM 0 H ASN A 63 -4.323 -9.114 -3.308 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.295 -11.951 -3.371 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.061 -9.877 -3.579 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.826 -11.592 -3.853 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.547 -9.233 -6.758 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -3.358 -8.636 -5.107 1.00 0.00 H new ATOM 265 N GLY A 64 -3.473 -10.697 -0.578 1.00 0.00 N ATOM 266 CA GLY A 64 -3.025 -10.959 0.783 1.00 0.00 C ATOM 267 C GLY A 64 -1.757 -10.187 1.144 1.00 0.00 C ATOM 268 O GLY A 64 -1.048 -9.674 0.271 1.00 0.00 O ATOM 0 H GLY A 64 -4.032 -9.848 -0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.819 -10.692 1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.842 -12.027 0.902 1.00 0.00 H new ATOM 272 N PRO A 65 -1.413 -10.112 2.443 1.00 0.00 N ATOM 273 CA PRO A 65 -0.233 -9.393 2.913 1.00 0.00 C ATOM 274 C PRO A 65 1.076 -10.020 2.443 1.00 0.00 C ATOM 275 O PRO A 65 2.143 -9.447 2.667 1.00 0.00 O ATOM 276 CB PRO A 65 -0.335 -9.349 4.429 1.00 0.00 C ATOM 277 CG PRO A 65 -1.214 -10.542 4.770 1.00 0.00 C ATOM 278 CD PRO A 65 -2.142 -10.683 3.567 1.00 0.00 C ATOM 0 HA PRO A 65 -0.213 -8.388 2.491 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.646 -9.428 4.898 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.778 -8.415 4.773 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.620 -11.443 4.922 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.776 -10.372 5.688 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.390 -11.728 3.383 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.082 -10.157 3.733 1.00 0.00 H new ATOM 286 N GLU A 66 1.031 -11.195 1.821 1.00 0.00 N ATOM 287 CA GLU A 66 2.215 -11.852 1.290 1.00 0.00 C ATOM 288 C GLU A 66 2.828 -10.935 0.211 1.00 0.00 C ATOM 289 O GLU A 66 4.041 -10.936 -0.017 1.00 0.00 O ATOM 290 CB GLU A 66 1.824 -13.241 0.749 1.00 0.00 C ATOM 291 CG GLU A 66 0.972 -13.164 -0.534 1.00 0.00 C ATOM 292 CD GLU A 66 0.278 -14.475 -0.909 1.00 0.00 C ATOM 293 OE1 GLU A 66 -0.321 -15.107 -0.009 1.00 0.00 O ATOM 294 OE2 GLU A 66 0.231 -14.816 -2.109 1.00 0.00 O ATOM 0 H GLU A 66 0.168 -11.718 1.672 1.00 0.00 H new ATOM 0 HA GLU A 66 2.969 -12.015 2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.728 -13.814 0.545 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.270 -13.782 1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.216 -12.389 -0.408 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.610 -12.855 -1.362 1.00 0.00 H new ATOM 301 N PHE A 67 1.983 -10.123 -0.439 1.00 0.00 N ATOM 302 CA PHE A 67 2.403 -9.185 -1.459 1.00 0.00 C ATOM 303 C PHE A 67 3.029 -7.955 -0.861 1.00 0.00 C ATOM 304 O PHE A 67 3.840 -7.320 -1.523 1.00 0.00 O ATOM 305 CB PHE A 67 1.242 -8.786 -2.360 1.00 0.00 C ATOM 306 CG PHE A 67 1.202 -9.746 -3.497 1.00 0.00 C ATOM 307 CD1 PHE A 67 1.949 -9.464 -4.649 1.00 0.00 C ATOM 308 CD2 PHE A 67 0.595 -10.993 -3.318 1.00 0.00 C ATOM 309 CE1 PHE A 67 2.037 -10.428 -5.663 1.00 0.00 C ATOM 310 CE2 PHE A 67 0.713 -11.963 -4.316 1.00 0.00 C ATOM 311 CZ PHE A 67 1.425 -11.684 -5.491 1.00 0.00 C ATOM 0 H PHE A 67 0.979 -10.108 -0.260 1.00 0.00 H new ATOM 0 HA PHE A 67 3.154 -9.695 -2.062 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.303 -8.809 -1.807 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.373 -7.767 -2.724 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.452 -8.514 -4.754 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.040 -11.204 -2.416 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.573 -10.208 -6.574 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.254 -12.931 -4.182 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.504 -12.433 -6.265 1.00 0.00 H new ATOM 321 N GLU A 68 2.653 -7.599 0.362 1.00 0.00 N ATOM 322 CA GLU A 68 3.222 -6.433 0.996 1.00 0.00 C ATOM 323 C GLU A 68 4.715 -6.647 1.157 1.00 0.00 C ATOM 324 O GLU A 68 5.500 -5.740 0.913 1.00 0.00 O ATOM 325 CB GLU A 68 2.575 -6.233 2.365 1.00 0.00 C ATOM 326 CG GLU A 68 2.831 -4.825 2.890 1.00 0.00 C ATOM 327 CD GLU A 68 2.016 -4.510 4.141 1.00 0.00 C ATOM 328 OE1 GLU A 68 0.980 -5.173 4.399 1.00 0.00 O ATOM 329 OE2 GLU A 68 2.384 -3.549 4.857 1.00 0.00 O ATOM 0 H GLU A 68 1.964 -8.100 0.923 1.00 0.00 H new ATOM 0 HA GLU A 68 3.042 -5.548 0.386 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.502 -6.408 2.293 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.971 -6.965 3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.892 -4.711 3.113 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.590 -4.101 2.112 1.00 0.00 H new ATOM 336 N ALA A 69 5.082 -7.866 1.552 1.00 0.00 N ATOM 337 CA ALA A 69 6.450 -8.261 1.767 1.00 0.00 C ATOM 338 C ALA A 69 7.195 -8.250 0.442 1.00 0.00 C ATOM 339 O ALA A 69 8.265 -7.655 0.360 1.00 0.00 O ATOM 340 CB ALA A 69 6.467 -9.642 2.425 1.00 0.00 C ATOM 0 H ALA A 69 4.412 -8.614 1.732 1.00 0.00 H new ATOM 0 HA ALA A 69 6.956 -7.561 2.433 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.498 -9.952 2.593 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.942 -9.597 3.379 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.973 -10.362 1.772 1.00 0.00 H new ATOM 346 N ARG A 70 6.621 -8.880 -0.591 1.00 0.00 N ATOM 347 CA ARG A 70 7.211 -8.942 -1.920 1.00 0.00 C ATOM 348 C ARG A 70 7.491 -7.541 -2.425 1.00 0.00 C ATOM 349 O ARG A 70 8.638 -7.205 -2.678 1.00 0.00 O ATOM 350 CB ARG A 70 6.260 -9.657 -2.879 1.00 0.00 C ATOM 351 CG ARG A 70 6.357 -11.173 -2.725 1.00 0.00 C ATOM 352 CD ARG A 70 5.076 -11.788 -3.284 1.00 0.00 C ATOM 353 NE ARG A 70 5.119 -13.257 -3.280 1.00 0.00 N ATOM 354 CZ ARG A 70 5.036 -14.032 -2.193 1.00 0.00 C ATOM 355 NH1 ARG A 70 4.880 -13.503 -0.986 1.00 0.00 N ATOM 356 NH2 ARG A 70 5.123 -15.347 -2.328 1.00 0.00 N ATOM 0 H ARG A 70 5.726 -9.363 -0.519 1.00 0.00 H new ATOM 0 HA ARG A 70 8.148 -9.497 -1.867 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.236 -9.334 -2.688 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.496 -9.377 -3.906 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.227 -11.555 -3.259 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.483 -11.442 -1.676 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.225 -11.449 -2.694 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.919 -11.433 -4.303 1.00 0.00 H new ATOM 0 HE ARG A 70 5.221 -13.724 -4.181 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.822 -12.491 -0.877 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.819 -14.109 -0.168 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.252 -15.757 -3.253 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.061 -15.949 -1.507 1.00 0.00 H new ATOM 370 N ILE A 71 6.447 -6.729 -2.568 1.00 0.00 N ATOM 371 CA ILE A 71 6.517 -5.362 -3.056 1.00 0.00 C ATOM 372 C ILE A 71 7.532 -4.567 -2.225 1.00 0.00 C ATOM 373 O ILE A 71 8.388 -3.898 -2.805 1.00 0.00 O ATOM 374 CB ILE A 71 5.088 -4.770 -3.075 1.00 0.00 C ATOM 375 CG1 ILE A 71 4.175 -5.550 -4.059 1.00 0.00 C ATOM 376 CG2 ILE A 71 5.081 -3.295 -3.491 1.00 0.00 C ATOM 377 CD1 ILE A 71 2.687 -5.253 -3.855 1.00 0.00 C ATOM 0 H ILE A 71 5.497 -7.019 -2.338 1.00 0.00 H new ATOM 0 HA ILE A 71 6.885 -5.315 -4.081 1.00 0.00 H new ATOM 0 HB ILE A 71 4.710 -4.858 -2.056 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.454 -5.298 -5.082 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.347 -6.619 -3.936 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.057 -2.922 -3.490 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.679 -2.716 -2.787 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.502 -3.197 -4.492 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.100 -5.827 -4.572 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.396 -5.531 -2.842 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.504 -4.189 -4.006 1.00 0.00 H new ATOM 389 N ARG A 72 7.480 -4.651 -0.890 1.00 0.00 N ATOM 390 CA ARG A 72 8.406 -3.928 -0.023 1.00 0.00 C ATOM 391 C ARG A 72 9.844 -4.326 -0.312 1.00 0.00 C ATOM 392 O ARG A 72 10.672 -3.440 -0.472 1.00 0.00 O ATOM 393 CB ARG A 72 8.030 -4.146 1.450 1.00 0.00 C ATOM 394 CG ARG A 72 8.904 -3.354 2.431 1.00 0.00 C ATOM 395 CD ARG A 72 8.250 -3.339 3.822 1.00 0.00 C ATOM 396 NE ARG A 72 9.129 -3.877 4.868 1.00 0.00 N ATOM 397 CZ ARG A 72 8.759 -4.148 6.123 1.00 0.00 C ATOM 398 NH1 ARG A 72 7.509 -3.928 6.525 1.00 0.00 N ATOM 399 NH2 ARG A 72 9.653 -4.631 6.977 1.00 0.00 N ATOM 0 H ARG A 72 6.798 -5.219 -0.387 1.00 0.00 H new ATOM 0 HA ARG A 72 8.326 -2.861 -0.231 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.987 -3.863 1.596 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.108 -5.208 1.683 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.896 -3.802 2.491 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.036 -2.334 2.071 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.972 -2.316 4.077 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.329 -3.921 3.792 1.00 0.00 H new ATOM 0 HE ARG A 72 10.101 -4.059 4.616 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.823 -3.549 5.873 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.238 -4.139 7.485 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.613 -4.792 6.673 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.380 -4.841 7.937 1.00 0.00 H new ATOM 413 N GLN A 73 10.156 -5.617 -0.393 1.00 0.00 N ATOM 414 CA GLN A 73 11.510 -6.089 -0.654 1.00 0.00 C ATOM 415 C GLN A 73 11.928 -5.931 -2.123 1.00 0.00 C ATOM 416 O GLN A 73 13.124 -5.907 -2.417 1.00 0.00 O ATOM 417 CB GLN A 73 11.630 -7.551 -0.187 1.00 0.00 C ATOM 418 CG GLN A 73 12.838 -7.784 0.728 1.00 0.00 C ATOM 419 CD GLN A 73 12.775 -6.968 2.021 1.00 0.00 C ATOM 420 OE1 GLN A 73 11.717 -6.804 2.631 1.00 0.00 O ATOM 421 NE2 GLN A 73 13.900 -6.441 2.463 1.00 0.00 N ATOM 0 H GLN A 73 9.473 -6.366 -0.279 1.00 0.00 H new ATOM 0 HA GLN A 73 12.201 -5.465 -0.088 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.720 -7.835 0.341 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.709 -8.201 -1.058 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.900 -8.844 0.976 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.750 -7.529 0.188 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.768 -6.585 1.947 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.902 -5.889 3.321 1.00 0.00 H new ATOM 430 N ASN A 74 10.977 -5.838 -3.053 1.00 0.00 N ATOM 431 CA ASN A 74 11.213 -5.677 -4.489 1.00 0.00 C ATOM 432 C ASN A 74 11.553 -4.236 -4.829 1.00 0.00 C ATOM 433 O ASN A 74 12.205 -3.990 -5.838 1.00 0.00 O ATOM 434 CB ASN A 74 9.960 -6.010 -5.326 1.00 0.00 C ATOM 435 CG ASN A 74 9.626 -7.488 -5.435 1.00 0.00 C ATOM 436 OD1 ASN A 74 10.482 -8.349 -5.228 1.00 0.00 O ATOM 437 ND2 ASN A 74 8.395 -7.822 -5.790 1.00 0.00 N ATOM 0 H ASN A 74 9.985 -5.874 -2.819 1.00 0.00 H new ATOM 0 HA ASN A 74 12.032 -6.357 -4.723 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.105 -5.492 -4.891 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.098 -5.610 -6.331 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.144 -8.805 -5.896 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.698 -7.096 -5.958 1.00 0.00 H new ATOM 444 N GLU A 75 11.153 -3.282 -3.997 1.00 0.00 N ATOM 445 CA GLU A 75 11.377 -1.862 -4.222 1.00 0.00 C ATOM 446 C GLU A 75 11.945 -1.193 -2.963 1.00 0.00 C ATOM 447 O GLU A 75 11.823 0.018 -2.808 1.00 0.00 O ATOM 448 CB GLU A 75 10.021 -1.252 -4.627 1.00 0.00 C ATOM 449 CG GLU A 75 9.289 -1.922 -5.807 1.00 0.00 C ATOM 450 CD GLU A 75 9.991 -1.766 -7.158 1.00 0.00 C ATOM 451 OE1 GLU A 75 10.480 -0.658 -7.489 1.00 0.00 O ATOM 452 OE2 GLU A 75 9.990 -2.730 -7.962 1.00 0.00 O ATOM 0 H GLU A 75 10.654 -3.480 -3.130 1.00 0.00 H new ATOM 0 HA GLU A 75 12.112 -1.702 -5.011 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.363 -1.278 -3.759 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.180 -0.203 -4.876 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.174 -2.984 -5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.286 -1.502 -5.882 1.00 0.00 H new ATOM 459 N ILE A 76 12.586 -1.955 -2.070 1.00 0.00 N ATOM 460 CA ILE A 76 13.142 -1.457 -0.813 1.00 0.00 C ATOM 461 C ILE A 76 14.029 -0.220 -0.982 1.00 0.00 C ATOM 462 O ILE A 76 13.947 0.706 -0.175 1.00 0.00 O ATOM 463 CB ILE A 76 13.818 -2.612 -0.030 1.00 0.00 C ATOM 464 CG1 ILE A 76 14.192 -2.241 1.420 1.00 0.00 C ATOM 465 CG2 ILE A 76 15.050 -3.198 -0.744 1.00 0.00 C ATOM 466 CD1 ILE A 76 12.995 -1.791 2.264 1.00 0.00 C ATOM 0 H ILE A 76 12.734 -2.955 -2.206 1.00 0.00 H new ATOM 0 HA ILE A 76 12.313 -1.094 -0.205 1.00 0.00 H new ATOM 0 HB ILE A 76 13.047 -3.381 0.007 1.00 0.00 H new ATOM 0 HG12 ILE A 76 14.660 -3.102 1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 76 14.935 -1.443 1.403 1.00 0.00 H new ATOM 0 HG21 ILE A 76 15.473 -4.001 -0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 76 14.754 -3.592 -1.716 1.00 0.00 H new ATOM 0 HG23 ILE A 76 15.797 -2.416 -0.882 1.00 0.00 H new ATOM 0 HD11 ILE A 76 13.332 -1.546 3.271 1.00 0.00 H new ATOM 0 HD12 ILE A 76 12.540 -0.911 1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.261 -2.595 2.312 1.00 0.00 H new ATOM 478 N ASN A 77 14.860 -0.167 -2.026 1.00 0.00 N ATOM 479 CA ASN A 77 15.742 0.976 -2.257 1.00 0.00 C ATOM 480 C ASN A 77 15.028 2.127 -2.955 1.00 0.00 C ATOM 481 O ASN A 77 15.524 3.253 -2.923 1.00 0.00 O ATOM 482 CB ASN A 77 16.928 0.605 -3.166 1.00 0.00 C ATOM 483 CG ASN A 77 17.699 -0.641 -2.769 1.00 0.00 C ATOM 484 OD1 ASN A 77 17.935 -1.492 -3.622 1.00 0.00 O ATOM 485 ND2 ASN A 77 18.091 -0.788 -1.517 1.00 0.00 N ATOM 0 H ASN A 77 14.939 -0.905 -2.725 1.00 0.00 H new ATOM 0 HA ASN A 77 16.078 1.274 -1.264 1.00 0.00 H new ATOM 0 HB2 ASN A 77 16.555 0.471 -4.181 1.00 0.00 H new ATOM 0 HB3 ASN A 77 17.621 1.446 -3.189 1.00 0.00 H new ATOM 0 HD21 ASN A 77 18.604 -1.625 -1.238 1.00 0.00 H new ATOM 0 HD22 ASN A 77 17.881 -0.065 -0.829 1.00 0.00 H new ATOM 492 N ASN A 78 13.942 1.825 -3.668 1.00 0.00 N ATOM 493 CA ASN A 78 13.146 2.776 -4.424 1.00 0.00 C ATOM 494 C ASN A 78 12.244 3.580 -3.483 1.00 0.00 C ATOM 495 O ASN A 78 11.416 3.013 -2.759 1.00 0.00 O ATOM 496 CB ASN A 78 12.284 2.013 -5.422 1.00 0.00 C ATOM 497 CG ASN A 78 11.549 2.862 -6.446 1.00 0.00 C ATOM 498 OD1 ASN A 78 11.626 4.085 -6.463 1.00 0.00 O ATOM 499 ND2 ASN A 78 10.814 2.229 -7.337 1.00 0.00 N ATOM 0 H ASN A 78 13.584 0.872 -3.733 1.00 0.00 H new ATOM 0 HA ASN A 78 13.809 3.465 -4.948 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.918 1.304 -5.954 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.549 1.429 -4.867 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.305 2.757 -8.046 1.00 0.00 H new ATOM 0 HD22 ASN A 78 10.754 1.211 -7.318 1.00 0.00 H new ATOM 506 N PRO A 79 12.343 4.909 -3.507 1.00 0.00 N ATOM 507 CA PRO A 79 11.545 5.767 -2.661 1.00 0.00 C ATOM 508 C PRO A 79 10.072 5.718 -3.059 1.00 0.00 C ATOM 509 O PRO A 79 9.235 6.056 -2.232 1.00 0.00 O ATOM 510 CB PRO A 79 12.188 7.145 -2.743 1.00 0.00 C ATOM 511 CG PRO A 79 12.970 7.127 -4.048 1.00 0.00 C ATOM 512 CD PRO A 79 13.269 5.661 -4.313 1.00 0.00 C ATOM 0 HA PRO A 79 11.534 5.444 -1.620 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.436 7.934 -2.742 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.843 7.328 -1.891 1.00 0.00 H new ATOM 0 HG2 PRO A 79 12.390 7.564 -4.861 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.889 7.707 -3.965 1.00 0.00 H new ATOM 0 HD2 PRO A 79 13.147 5.424 -5.370 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.299 5.420 -4.049 1.00 0.00 H new ATOM 520 N LYS A 80 9.707 5.261 -4.264 1.00 0.00 N ATOM 521 CA LYS A 80 8.298 5.167 -4.652 1.00 0.00 C ATOM 522 C LYS A 80 7.533 4.215 -3.737 1.00 0.00 C ATOM 523 O LYS A 80 6.317 4.334 -3.667 1.00 0.00 O ATOM 524 CB LYS A 80 8.168 4.665 -6.097 1.00 0.00 C ATOM 525 CG LYS A 80 8.193 5.809 -7.118 1.00 0.00 C ATOM 526 CD LYS A 80 6.810 5.972 -7.766 1.00 0.00 C ATOM 527 CE LYS A 80 6.801 7.076 -8.823 1.00 0.00 C ATOM 528 NZ LYS A 80 7.709 6.779 -9.950 1.00 0.00 N ATOM 0 H LYS A 80 10.364 4.953 -4.981 1.00 0.00 H new ATOM 0 HA LYS A 80 7.874 6.167 -4.565 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.981 3.972 -6.312 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.237 4.108 -6.203 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.485 6.738 -6.627 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.940 5.605 -7.885 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.510 5.029 -8.224 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.073 6.201 -6.996 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.787 7.206 -9.201 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.093 8.020 -8.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.535 7.453 -10.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.696 6.864 -9.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.537 5.811 -10.289 1.00 0.00 H new ATOM 542 N PHE A 81 8.218 3.306 -3.038 1.00 0.00 N ATOM 543 CA PHE A 81 7.623 2.323 -2.144 1.00 0.00 C ATOM 544 C PHE A 81 8.083 2.480 -0.699 1.00 0.00 C ATOM 545 O PHE A 81 7.832 1.600 0.128 1.00 0.00 O ATOM 546 CB PHE A 81 7.917 0.935 -2.698 1.00 0.00 C ATOM 547 CG PHE A 81 7.144 0.646 -3.973 1.00 0.00 C ATOM 548 CD1 PHE A 81 7.614 1.101 -5.220 1.00 0.00 C ATOM 549 CD2 PHE A 81 5.923 -0.049 -3.905 1.00 0.00 C ATOM 550 CE1 PHE A 81 6.876 0.845 -6.388 1.00 0.00 C ATOM 551 CE2 PHE A 81 5.206 -0.340 -5.078 1.00 0.00 C ATOM 552 CZ PHE A 81 5.682 0.107 -6.323 1.00 0.00 C ATOM 0 H PHE A 81 9.235 3.236 -3.084 1.00 0.00 H new ATOM 0 HA PHE A 81 6.545 2.482 -2.108 1.00 0.00 H new ATOM 0 HB2 PHE A 81 8.985 0.844 -2.895 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.667 0.186 -1.947 1.00 0.00 H new ATOM 0 HD1 PHE A 81 8.544 1.648 -5.279 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.535 -0.361 -2.947 1.00 0.00 H new ATOM 0 HE1 PHE A 81 7.228 1.217 -7.339 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.289 -0.907 -5.023 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.132 -0.116 -7.226 1.00 0.00 H new ATOM 562 N ASN A 82 8.759 3.585 -0.371 1.00 0.00 N ATOM 563 CA ASN A 82 9.227 3.837 0.990 1.00 0.00 C ATOM 564 C ASN A 82 8.069 3.787 1.986 1.00 0.00 C ATOM 565 O ASN A 82 8.264 3.323 3.108 1.00 0.00 O ATOM 566 CB ASN A 82 10.005 5.157 1.095 1.00 0.00 C ATOM 567 CG ASN A 82 9.250 6.418 0.674 1.00 0.00 C ATOM 568 OD1 ASN A 82 8.064 6.408 0.346 1.00 0.00 O ATOM 569 ND2 ASN A 82 9.955 7.532 0.587 1.00 0.00 N ATOM 0 H ASN A 82 8.994 4.322 -1.036 1.00 0.00 H new ATOM 0 HA ASN A 82 9.924 3.039 1.248 1.00 0.00 H new ATOM 0 HB2 ASN A 82 10.332 5.281 2.127 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.904 5.075 0.484 1.00 0.00 H new ATOM 0 HD21 ASN A 82 9.516 8.388 0.247 1.00 0.00 H new ATOM 0 HD22 ASN A 82 10.938 7.536 0.860 1.00 0.00 H new ATOM 576 N PHE A 83 6.864 4.139 1.530 1.00 0.00 N ATOM 577 CA PHE A 83 5.621 4.164 2.275 1.00 0.00 C ATOM 578 C PHE A 83 5.339 2.814 2.948 1.00 0.00 C ATOM 579 O PHE A 83 4.783 2.767 4.048 1.00 0.00 O ATOM 580 CB PHE A 83 4.506 4.664 1.336 1.00 0.00 C ATOM 581 CG PHE A 83 4.015 3.692 0.276 1.00 0.00 C ATOM 582 CD1 PHE A 83 3.112 2.662 0.609 1.00 0.00 C ATOM 583 CD2 PHE A 83 4.445 3.823 -1.058 1.00 0.00 C ATOM 584 CE1 PHE A 83 2.674 1.756 -0.370 1.00 0.00 C ATOM 585 CE2 PHE A 83 4.028 2.899 -2.025 1.00 0.00 C ATOM 586 CZ PHE A 83 3.149 1.865 -1.684 1.00 0.00 C ATOM 0 H PHE A 83 6.732 4.433 0.562 1.00 0.00 H new ATOM 0 HA PHE A 83 5.682 4.862 3.110 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.653 4.958 1.948 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.863 5.563 0.833 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.755 2.569 1.624 1.00 0.00 H new ATOM 0 HD2 PHE A 83 5.098 4.637 -1.337 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.973 0.977 -0.111 1.00 0.00 H new ATOM 0 HE2 PHE A 83 4.387 2.985 -3.040 1.00 0.00 H new ATOM 0 HZ PHE A 83 2.837 1.152 -2.433 1.00 0.00 H new ATOM 596 N LEU A 84 5.735 1.688 2.332 1.00 0.00 N ATOM 597 CA LEU A 84 5.516 0.349 2.881 1.00 0.00 C ATOM 598 C LEU A 84 6.286 0.099 4.173 1.00 0.00 C ATOM 599 O LEU A 84 5.949 -0.832 4.907 1.00 0.00 O ATOM 600 CB LEU A 84 5.888 -0.731 1.855 1.00 0.00 C ATOM 601 CG LEU A 84 4.875 -0.836 0.708 1.00 0.00 C ATOM 602 CD1 LEU A 84 5.378 -1.850 -0.312 1.00 0.00 C ATOM 603 CD2 LEU A 84 3.493 -1.285 1.201 1.00 0.00 C ATOM 0 H LEU A 84 6.219 1.686 1.434 1.00 0.00 H new ATOM 0 HA LEU A 84 4.453 0.293 3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.873 -0.511 1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.960 -1.695 2.359 1.00 0.00 H new ATOM 0 HG LEU A 84 4.775 0.154 0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.662 -1.929 -1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.342 -1.525 -0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.491 -2.823 0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.807 -1.346 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.575 -2.264 1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.113 -0.564 1.925 1.00 0.00 H new ATOM 615 N ASN A 85 7.337 0.867 4.440 1.00 0.00 N ATOM 616 CA ASN A 85 8.144 0.747 5.650 1.00 0.00 C ATOM 617 C ASN A 85 7.574 1.707 6.696 1.00 0.00 C ATOM 618 O ASN A 85 7.024 2.744 6.333 1.00 0.00 O ATOM 619 CB ASN A 85 9.613 1.085 5.368 1.00 0.00 C ATOM 620 CG ASN A 85 10.288 -0.005 4.552 1.00 0.00 C ATOM 621 OD1 ASN A 85 10.705 -1.022 5.105 1.00 0.00 O ATOM 622 ND2 ASN A 85 10.366 0.153 3.242 1.00 0.00 N ATOM 0 H ASN A 85 7.658 1.603 3.811 1.00 0.00 H new ATOM 0 HA ASN A 85 8.108 -0.280 6.014 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.673 2.032 4.832 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.144 1.218 6.310 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.780 -0.578 2.664 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.012 1.006 2.809 1.00 0.00 H new ATOM 629 N PRO A 86 7.726 1.419 7.998 1.00 0.00 N ATOM 630 CA PRO A 86 7.213 2.269 9.076 1.00 0.00 C ATOM 631 C PRO A 86 7.919 3.626 9.160 1.00 0.00 C ATOM 632 O PRO A 86 7.489 4.512 9.895 1.00 0.00 O ATOM 633 CB PRO A 86 7.413 1.463 10.359 1.00 0.00 C ATOM 634 CG PRO A 86 8.551 0.503 10.019 1.00 0.00 C ATOM 635 CD PRO A 86 8.366 0.232 8.533 1.00 0.00 C ATOM 0 HA PRO A 86 6.166 2.515 8.900 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.672 2.108 11.199 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.507 0.925 10.638 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.525 0.947 10.226 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.488 -0.415 10.604 1.00 0.00 H new ATOM 0 HD2 PRO A 86 9.324 0.049 8.045 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.751 -0.653 8.369 1.00 0.00 H new ATOM 643 N ASN A 87 9.006 3.782 8.411 1.00 0.00 N ATOM 644 CA ASN A 87 9.827 4.977 8.348 1.00 0.00 C ATOM 645 C ASN A 87 9.097 6.139 7.664 1.00 0.00 C ATOM 646 O ASN A 87 9.540 7.284 7.788 1.00 0.00 O ATOM 647 CB ASN A 87 11.135 4.698 7.569 1.00 0.00 C ATOM 648 CG ASN A 87 11.783 3.326 7.754 1.00 0.00 C ATOM 649 OD1 ASN A 87 12.362 2.782 6.818 1.00 0.00 O ATOM 650 ND2 ASN A 87 11.687 2.707 8.920 1.00 0.00 N ATOM 0 H ASN A 87 9.352 3.039 7.803 1.00 0.00 H new ATOM 0 HA ASN A 87 10.051 5.256 9.378 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.930 4.834 6.507 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.865 5.456 7.853 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.094 1.779 9.040 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.206 3.158 9.699 1.00 0.00 H new ATOM 657 N ASP A 88 8.021 5.871 6.919 1.00 0.00 N ATOM 658 CA ASP A 88 7.260 6.898 6.210 1.00 0.00 C ATOM 659 C ASP A 88 6.061 7.368 7.041 1.00 0.00 C ATOM 660 O ASP A 88 5.483 6.589 7.798 1.00 0.00 O ATOM 661 CB ASP A 88 6.841 6.389 4.825 1.00 0.00 C ATOM 662 CG ASP A 88 7.615 7.137 3.736 1.00 0.00 C ATOM 663 OD1 ASP A 88 8.849 6.976 3.649 1.00 0.00 O ATOM 664 OD2 ASP A 88 7.004 7.976 3.025 1.00 0.00 O ATOM 0 H ASP A 88 7.653 4.928 6.791 1.00 0.00 H new ATOM 0 HA ASP A 88 7.899 7.768 6.061 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.032 5.319 4.749 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.770 6.532 4.685 1.00 0.00 H new ATOM 669 N PRO A 89 5.631 8.629 6.870 1.00 0.00 N ATOM 670 CA PRO A 89 4.530 9.224 7.614 1.00 0.00 C ATOM 671 C PRO A 89 3.162 8.652 7.259 1.00 0.00 C ATOM 672 O PRO A 89 2.275 8.584 8.117 1.00 0.00 O ATOM 673 CB PRO A 89 4.617 10.723 7.316 1.00 0.00 C ATOM 674 CG PRO A 89 5.398 10.843 6.014 1.00 0.00 C ATOM 675 CD PRO A 89 6.247 9.591 5.980 1.00 0.00 C ATOM 0 HA PRO A 89 4.625 9.003 8.677 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.623 11.160 7.218 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.120 11.254 8.124 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.732 10.897 5.153 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.013 11.743 5.999 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.306 9.194 4.967 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.267 9.809 6.297 1.00 0.00 H new ATOM 683 N TYR A 90 2.956 8.257 6.003 1.00 0.00 N ATOM 684 CA TYR A 90 1.688 7.699 5.551 1.00 0.00 C ATOM 685 C TYR A 90 1.618 6.199 5.789 1.00 0.00 C ATOM 686 O TYR A 90 0.620 5.577 5.422 1.00 0.00 O ATOM 687 CB TYR A 90 1.456 7.989 4.076 1.00 0.00 C ATOM 688 CG TYR A 90 1.288 9.453 3.735 1.00 0.00 C ATOM 689 CD1 TYR A 90 2.425 10.244 3.514 1.00 0.00 C ATOM 690 CD2 TYR A 90 0.004 10.004 3.554 1.00 0.00 C ATOM 691 CE1 TYR A 90 2.294 11.557 3.050 1.00 0.00 C ATOM 692 CE2 TYR A 90 -0.137 11.295 3.016 1.00 0.00 C ATOM 693 CZ TYR A 90 1.013 12.078 2.762 1.00 0.00 C ATOM 694 OH TYR A 90 0.896 13.310 2.199 1.00 0.00 O ATOM 0 H TYR A 90 3.665 8.316 5.272 1.00 0.00 H new ATOM 0 HA TYR A 90 0.905 8.180 6.137 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.296 7.592 3.506 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.566 7.450 3.750 1.00 0.00 H new ATOM 0 HD1 TYR A 90 3.407 9.837 3.703 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -0.872 9.435 3.829 1.00 0.00 H new ATOM 0 HE1 TYR A 90 3.171 12.172 2.912 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -1.119 11.687 2.798 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.052 13.519 2.064 1.00 0.00 H new ATOM 704 N HIS A 91 2.645 5.596 6.388 1.00 0.00 N ATOM 705 CA HIS A 91 2.643 4.168 6.660 1.00 0.00 C ATOM 706 C HIS A 91 1.345 3.779 7.376 1.00 0.00 C ATOM 707 O HIS A 91 0.647 2.869 6.933 1.00 0.00 O ATOM 708 CB HIS A 91 3.897 3.780 7.437 1.00 0.00 C ATOM 709 CG HIS A 91 3.945 2.297 7.690 1.00 0.00 C ATOM 710 ND1 HIS A 91 4.406 1.365 6.794 1.00 0.00 N ATOM 711 CD2 HIS A 91 3.519 1.632 8.807 1.00 0.00 C ATOM 712 CE1 HIS A 91 4.241 0.152 7.345 1.00 0.00 C ATOM 713 NE2 HIS A 91 3.714 0.261 8.579 1.00 0.00 N ATOM 0 H HIS A 91 3.489 6.081 6.693 1.00 0.00 H new ATOM 0 HA HIS A 91 2.671 3.607 5.726 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.782 4.085 6.879 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.919 4.314 8.387 1.00 0.00 H new ATOM 0 HD1 HIS A 91 4.803 1.559 5.875 1.00 0.00 H new ATOM 0 HD2 HIS A 91 3.108 2.080 9.700 1.00 0.00 H new ATOM 0 HE1 HIS A 91 4.496 -0.781 6.865 1.00 0.00 H new ATOM 721 N ALA A 92 0.964 4.527 8.415 1.00 0.00 N ATOM 722 CA ALA A 92 -0.259 4.269 9.163 1.00 0.00 C ATOM 723 C ALA A 92 -1.518 4.376 8.289 1.00 0.00 C ATOM 724 O ALA A 92 -2.491 3.665 8.526 1.00 0.00 O ATOM 725 CB ALA A 92 -0.354 5.260 10.324 1.00 0.00 C ATOM 0 H ALA A 92 1.497 5.326 8.757 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.211 3.245 9.533 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.267 5.073 10.888 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.509 5.137 10.979 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.371 6.277 9.933 1.00 0.00 H new ATOM 731 N TYR A 93 -1.541 5.279 7.306 1.00 0.00 N ATOM 732 CA TYR A 93 -2.684 5.458 6.416 1.00 0.00 C ATOM 733 C TYR A 93 -2.905 4.201 5.574 1.00 0.00 C ATOM 734 O TYR A 93 -4.033 3.710 5.468 1.00 0.00 O ATOM 735 CB TYR A 93 -2.469 6.700 5.539 1.00 0.00 C ATOM 736 CG TYR A 93 -3.472 6.848 4.418 1.00 0.00 C ATOM 737 CD1 TYR A 93 -4.844 6.867 4.707 1.00 0.00 C ATOM 738 CD2 TYR A 93 -3.040 6.925 3.085 1.00 0.00 C ATOM 739 CE1 TYR A 93 -5.779 7.018 3.676 1.00 0.00 C ATOM 740 CE2 TYR A 93 -3.969 7.077 2.040 1.00 0.00 C ATOM 741 CZ TYR A 93 -5.346 7.144 2.337 1.00 0.00 C ATOM 742 OH TYR A 93 -6.250 7.303 1.337 1.00 0.00 O ATOM 0 H TYR A 93 -0.763 5.908 7.106 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.585 5.615 7.009 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.512 7.588 6.170 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.467 6.660 5.112 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.180 6.765 5.728 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.985 6.867 2.860 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.834 7.038 3.905 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -3.630 7.142 1.017 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.780 7.375 0.480 1.00 0.00 H new ATOM 752 N TYR A 94 -1.826 3.675 4.998 1.00 0.00 N ATOM 753 CA TYR A 94 -1.863 2.485 4.158 1.00 0.00 C ATOM 754 C TYR A 94 -2.398 1.280 4.927 1.00 0.00 C ATOM 755 O TYR A 94 -3.176 0.501 4.378 1.00 0.00 O ATOM 756 CB TYR A 94 -0.444 2.192 3.668 1.00 0.00 C ATOM 757 CG TYR A 94 -0.246 0.883 2.921 1.00 0.00 C ATOM 758 CD1 TYR A 94 0.040 -0.290 3.642 1.00 0.00 C ATOM 759 CD2 TYR A 94 -0.305 0.832 1.518 1.00 0.00 C ATOM 760 CE1 TYR A 94 0.205 -1.515 2.977 1.00 0.00 C ATOM 761 CE2 TYR A 94 -0.141 -0.388 0.848 1.00 0.00 C ATOM 762 CZ TYR A 94 0.094 -1.569 1.576 1.00 0.00 C ATOM 763 OH TYR A 94 0.233 -2.752 0.926 1.00 0.00 O ATOM 0 H TYR A 94 -0.891 4.070 5.104 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.531 2.667 3.316 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -0.132 3.008 3.017 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.224 2.199 4.530 1.00 0.00 H new ATOM 0 HD1 TYR A 94 0.134 -0.248 4.717 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.477 1.737 0.954 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.416 -2.413 3.539 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.195 -0.422 -0.230 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.297 -2.736 0.102 1.00 0.00 H new ATOM 773 N ARG A 95 -2.004 1.137 6.199 1.00 0.00 N ATOM 774 CA ARG A 95 -2.427 0.017 7.049 1.00 0.00 C ATOM 775 C ARG A 95 -3.943 -0.104 7.031 1.00 0.00 C ATOM 776 O ARG A 95 -4.478 -1.206 6.901 1.00 0.00 O ATOM 777 CB ARG A 95 -1.913 0.196 8.495 1.00 0.00 C ATOM 778 CG ARG A 95 -0.381 0.159 8.631 1.00 0.00 C ATOM 779 CD ARG A 95 0.158 -1.265 8.576 1.00 0.00 C ATOM 780 NE ARG A 95 0.040 -1.959 9.866 1.00 0.00 N ATOM 781 CZ ARG A 95 0.130 -3.284 10.030 1.00 0.00 C ATOM 782 NH1 ARG A 95 0.135 -4.108 8.988 1.00 0.00 N ATOM 783 NH2 ARG A 95 0.227 -3.782 11.254 1.00 0.00 N ATOM 0 H ARG A 95 -1.382 1.796 6.668 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.995 -0.902 6.652 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.278 1.147 8.883 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.341 -0.588 9.120 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.069 0.749 7.833 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.089 0.622 9.573 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.383 -1.826 7.814 1.00 0.00 H new ATOM 0 HD3 ARG A 95 1.205 -1.243 8.273 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.122 -1.389 10.696 1.00 0.00 H new ATOM 0 HH11 ARG A 95 0.069 -3.734 8.041 1.00 0.00 H new ATOM 0 HH12 ARG A 95 0.204 -5.115 9.134 1.00 0.00 H new ATOM 0 HH21 ARG A 95 0.233 -3.157 12.060 1.00 0.00 H new ATOM 0 HH22 ARG A 95 0.296 -4.790 11.390 1.00 0.00 H new ATOM 797 N HIS A 96 -4.627 1.027 7.176 1.00 0.00 N ATOM 798 CA HIS A 96 -6.074 1.097 7.158 1.00 0.00 C ATOM 799 C HIS A 96 -6.584 0.700 5.774 1.00 0.00 C ATOM 800 O HIS A 96 -7.456 -0.155 5.686 1.00 0.00 O ATOM 801 CB HIS A 96 -6.494 2.517 7.560 1.00 0.00 C ATOM 802 CG HIS A 96 -7.791 3.003 6.968 1.00 0.00 C ATOM 803 ND1 HIS A 96 -9.047 2.783 7.476 1.00 0.00 N ATOM 804 CD2 HIS A 96 -7.924 3.812 5.871 1.00 0.00 C ATOM 805 CE1 HIS A 96 -9.919 3.476 6.731 1.00 0.00 C ATOM 806 NE2 HIS A 96 -9.278 4.127 5.743 1.00 0.00 N ATOM 0 H HIS A 96 -4.178 1.933 7.311 1.00 0.00 H new ATOM 0 HA HIS A 96 -6.515 0.400 7.871 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -6.572 2.560 8.646 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -5.702 3.207 7.270 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -7.127 4.145 5.223 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -10.985 3.508 6.900 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -9.699 4.732 5.038 1.00 0.00 H new ATOM 814 N LYS A 97 -6.036 1.283 4.696 1.00 0.00 N ATOM 815 CA LYS A 97 -6.476 0.990 3.331 1.00 0.00 C ATOM 816 C LYS A 97 -6.543 -0.502 3.052 1.00 0.00 C ATOM 817 O LYS A 97 -7.542 -0.939 2.499 1.00 0.00 O ATOM 818 CB LYS A 97 -5.618 1.687 2.265 1.00 0.00 C ATOM 819 CG LYS A 97 -5.694 3.218 2.261 1.00 0.00 C ATOM 820 CD LYS A 97 -7.112 3.809 2.193 1.00 0.00 C ATOM 821 CE LYS A 97 -7.776 3.421 0.874 1.00 0.00 C ATOM 822 NZ LYS A 97 -8.811 4.370 0.418 1.00 0.00 N ATOM 0 H LYS A 97 -5.280 1.966 4.750 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.485 1.396 3.263 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.579 1.392 2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.920 1.322 1.283 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.206 3.591 3.162 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.122 3.591 1.411 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.707 3.445 3.030 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.067 4.894 2.282 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.009 3.339 0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.226 2.434 0.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -8.818 4.404 -0.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.742 4.059 0.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.603 5.317 0.794 1.00 0.00 H new ATOM 836 N VAL A 98 -5.530 -1.275 3.437 1.00 0.00 N ATOM 837 CA VAL A 98 -5.509 -2.718 3.207 1.00 0.00 C ATOM 838 C VAL A 98 -6.785 -3.359 3.769 1.00 0.00 C ATOM 839 O VAL A 98 -7.537 -3.996 3.034 1.00 0.00 O ATOM 840 CB VAL A 98 -4.232 -3.313 3.823 1.00 0.00 C ATOM 841 CG1 VAL A 98 -4.204 -4.839 3.681 1.00 0.00 C ATOM 842 CG2 VAL A 98 -2.971 -2.768 3.146 1.00 0.00 C ATOM 0 H VAL A 98 -4.702 -0.920 3.916 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.491 -2.929 2.138 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.245 -3.029 4.875 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.289 -5.229 4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.067 -5.268 4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.236 -5.107 2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.089 -3.211 3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.990 -3.019 2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.935 -1.685 3.262 1.00 0.00 H new ATOM 852 N SER A 99 -7.021 -3.184 5.069 1.00 0.00 N ATOM 853 CA SER A 99 -8.182 -3.715 5.763 1.00 0.00 C ATOM 854 C SER A 99 -9.486 -3.219 5.134 1.00 0.00 C ATOM 855 O SER A 99 -10.432 -3.984 4.976 1.00 0.00 O ATOM 856 CB SER A 99 -8.081 -3.279 7.224 1.00 0.00 C ATOM 857 OG SER A 99 -7.090 -4.049 7.887 1.00 0.00 O ATOM 0 H SER A 99 -6.394 -2.657 5.677 1.00 0.00 H new ATOM 0 HA SER A 99 -8.197 -4.802 5.688 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.830 -2.220 7.281 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.044 -3.405 7.718 1.00 0.00 H new ATOM 0 HG SER A 99 -7.027 -3.765 8.823 1.00 0.00 H new ATOM 863 N GLU A 100 -9.538 -1.960 4.725 1.00 0.00 N ATOM 864 CA GLU A 100 -10.702 -1.342 4.121 1.00 0.00 C ATOM 865 C GLU A 100 -11.040 -1.958 2.770 1.00 0.00 C ATOM 866 O GLU A 100 -12.211 -2.255 2.523 1.00 0.00 O ATOM 867 CB GLU A 100 -10.436 0.154 4.001 1.00 0.00 C ATOM 868 CG GLU A 100 -11.351 0.964 4.927 1.00 0.00 C ATOM 869 CD GLU A 100 -11.387 0.517 6.410 1.00 0.00 C ATOM 870 OE1 GLU A 100 -10.364 0.151 7.028 1.00 0.00 O ATOM 871 OE2 GLU A 100 -12.492 0.515 6.989 1.00 0.00 O ATOM 0 H GLU A 100 -8.745 -1.323 4.808 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.572 -1.516 4.754 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.394 0.360 4.246 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.589 0.470 2.969 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.039 2.008 4.891 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -12.365 0.921 4.531 1.00 0.00 H new ATOM 878 N PHE A 101 -10.045 -2.141 1.892 1.00 0.00 N ATOM 879 CA PHE A 101 -10.294 -2.754 0.600 1.00 0.00 C ATOM 880 C PHE A 101 -10.749 -4.199 0.803 1.00 0.00 C ATOM 881 O PHE A 101 -11.587 -4.687 0.053 1.00 0.00 O ATOM 882 CB PHE A 101 -9.052 -2.717 -0.300 1.00 0.00 C ATOM 883 CG PHE A 101 -8.936 -1.500 -1.195 1.00 0.00 C ATOM 884 CD1 PHE A 101 -8.245 -0.367 -0.742 1.00 0.00 C ATOM 885 CD2 PHE A 101 -9.434 -1.523 -2.512 1.00 0.00 C ATOM 886 CE1 PHE A 101 -8.031 0.720 -1.597 1.00 0.00 C ATOM 887 CE2 PHE A 101 -9.219 -0.424 -3.369 1.00 0.00 C ATOM 888 CZ PHE A 101 -8.519 0.706 -2.914 1.00 0.00 C ATOM 0 H PHE A 101 -9.075 -1.874 2.058 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.076 -2.183 0.100 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.165 -2.769 0.331 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -9.051 -3.609 -0.926 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -7.876 -0.333 0.272 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -9.982 -2.384 -2.866 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -7.484 1.580 -1.240 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -9.595 -0.451 -4.381 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.359 1.551 -3.567 1.00 0.00 H new ATOM 898 N LYS A 102 -10.211 -4.885 1.818 1.00 0.00 N ATOM 899 CA LYS A 102 -10.585 -6.270 2.117 1.00 0.00 C ATOM 900 C LYS A 102 -12.051 -6.326 2.529 1.00 0.00 C ATOM 901 O LYS A 102 -12.785 -7.225 2.104 1.00 0.00 O ATOM 902 CB LYS A 102 -9.696 -6.817 3.231 1.00 0.00 C ATOM 903 CG LYS A 102 -8.419 -7.500 2.733 1.00 0.00 C ATOM 904 CD LYS A 102 -7.204 -7.236 3.628 1.00 0.00 C ATOM 905 CE LYS A 102 -6.568 -8.549 4.080 1.00 0.00 C ATOM 906 NZ LYS A 102 -5.379 -8.293 4.905 1.00 0.00 N ATOM 0 H LYS A 102 -9.510 -4.499 2.450 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.446 -6.885 1.228 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.422 -5.999 3.897 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.270 -7.531 3.822 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.590 -8.575 2.672 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -8.200 -7.154 1.723 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.470 -6.639 3.086 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.507 -6.655 4.499 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -7.292 -9.133 4.648 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.292 -9.144 3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -4.961 -9.198 5.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.682 -7.755 4.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.651 -7.745 5.746 1.00 0.00 H new ATOM 920 N GLU A 103 -12.489 -5.362 3.342 1.00 0.00 N ATOM 921 CA GLU A 103 -13.873 -5.273 3.793 1.00 0.00 C ATOM 922 C GLU A 103 -14.777 -4.899 2.617 1.00 0.00 C ATOM 923 O GLU A 103 -15.985 -5.126 2.680 1.00 0.00 O ATOM 924 CB GLU A 103 -14.022 -4.179 4.851 1.00 0.00 C ATOM 925 CG GLU A 103 -13.241 -4.450 6.138 1.00 0.00 C ATOM 926 CD GLU A 103 -14.144 -4.561 7.361 1.00 0.00 C ATOM 927 OE1 GLU A 103 -15.032 -5.437 7.409 1.00 0.00 O ATOM 928 OE2 GLU A 103 -13.983 -3.732 8.284 1.00 0.00 O ATOM 0 H GLU A 103 -11.890 -4.621 3.705 1.00 0.00 H new ATOM 0 HA GLU A 103 -14.154 -6.241 4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -13.689 -3.231 4.428 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -15.078 -4.065 5.096 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -12.673 -5.373 6.026 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.519 -3.649 6.296 1.00 0.00 H new ATOM 935 N GLY A 104 -14.203 -4.335 1.553 1.00 0.00 N ATOM 936 CA GLY A 104 -14.884 -3.916 0.342 1.00 0.00 C ATOM 937 C GLY A 104 -15.779 -2.710 0.599 1.00 0.00 C ATOM 938 O GLY A 104 -16.917 -2.698 0.129 1.00 0.00 O ATOM 0 H GLY A 104 -13.200 -4.152 1.518 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.149 -3.669 -0.424 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.483 -4.740 -0.045 1.00 0.00 H new ATOM 942 N LYS A 105 -15.285 -1.717 1.351 1.00 0.00 N ATOM 943 CA LYS A 105 -16.051 -0.510 1.686 1.00 0.00 C ATOM 944 C LYS A 105 -15.412 0.789 1.202 1.00 0.00 C ATOM 945 O LYS A 105 -16.123 1.784 1.016 1.00 0.00 O ATOM 946 CB LYS A 105 -16.281 -0.464 3.208 1.00 0.00 C ATOM 947 CG LYS A 105 -15.049 0.044 3.979 1.00 0.00 C ATOM 948 CD LYS A 105 -15.249 0.066 5.491 1.00 0.00 C ATOM 949 CE LYS A 105 -14.764 -1.260 6.087 1.00 0.00 C ATOM 950 NZ LYS A 105 -14.561 -1.167 7.541 1.00 0.00 N ATOM 0 H LYS A 105 -14.344 -1.728 1.744 1.00 0.00 H new ATOM 0 HA LYS A 105 -17.000 -0.581 1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -17.132 0.183 3.424 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -16.541 -1.461 3.563 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.194 -0.590 3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.805 1.050 3.637 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -14.698 0.898 5.930 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -16.302 0.221 5.728 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.492 -2.042 5.871 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.830 -1.553 5.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.365 -2.113 7.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -13.756 -0.539 7.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.418 -0.783 7.987 1.00 0.00 H new ATOM 964 N ALA A 106 -14.084 0.818 1.061 1.00 0.00 N ATOM 965 CA ALA A 106 -13.378 2.011 0.630 1.00 0.00 C ATOM 966 C ALA A 106 -13.785 2.454 -0.773 1.00 0.00 C ATOM 967 O ALA A 106 -14.425 1.732 -1.537 1.00 0.00 O ATOM 968 CB ALA A 106 -11.864 1.808 0.761 1.00 0.00 C ATOM 0 H ALA A 106 -13.478 0.018 1.243 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.667 2.828 1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.346 2.710 0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -11.613 1.602 1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.555 0.967 0.140 1.00 0.00 H new ATOM 974 N GLN A 107 -13.425 3.695 -1.081 1.00 0.00 N ATOM 975 CA GLN A 107 -13.684 4.336 -2.353 1.00 0.00 C ATOM 976 C GLN A 107 -12.464 4.114 -3.240 1.00 0.00 C ATOM 977 O GLN A 107 -11.358 4.556 -2.907 1.00 0.00 O ATOM 978 CB GLN A 107 -13.994 5.833 -2.158 1.00 0.00 C ATOM 979 CG GLN A 107 -12.937 6.625 -1.354 1.00 0.00 C ATOM 980 CD GLN A 107 -12.251 7.764 -2.115 1.00 0.00 C ATOM 981 OE1 GLN A 107 -12.119 8.863 -1.585 1.00 0.00 O ATOM 982 NE2 GLN A 107 -11.752 7.551 -3.321 1.00 0.00 N ATOM 0 H GLN A 107 -12.928 4.298 -0.425 1.00 0.00 H new ATOM 0 HA GLN A 107 -14.563 3.903 -2.831 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -14.103 6.296 -3.139 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -14.956 5.926 -1.653 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.416 7.040 -0.467 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.172 5.930 -1.008 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -11.860 6.639 -3.764 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -11.259 8.299 -3.808 1.00 0.00 H new