USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=12 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 K(o=0,f=-0.71) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 83:sc= 1.21 USER MOD Single : A 58 SER OG : rot 93:sc= 0.509 USER MOD Single : A 63 ASN : amide:sc= 0.317 X(o=0.32,f=-0.05) USER MOD Single : A 73 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.34) USER MOD Single : A 74 ASN : amide:sc= -0.0996 K(o=-0.1,f=-1.1) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 80 LYS NZ :NH3+ -143:sc= 1.3 (180deg=-0.188) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 85 ASN : amide:sc= -0.365 K(o=-0.37,f=-2.6!) USER MOD Single : A 87 ASN : amide:sc=-0.00954 X(o=-0.0095,f=-0.0095) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.804 K(o=-0.8,f=-4.1!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc=-0.00235 USER MOD Single : A 96 HIS :FLIP no HD1:sc= -0.122 F(o=-0.65,f=-0.12) USER MOD Single : A 97 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.16) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 152:sc= 0.544 (180deg=-0.255) USER MOD Single : A 105 LYS NZ :NH3+ -168:sc= 1.3 (180deg=0.891) USER MOD Single : A 107 GLN : amide:sc=-0.00119 X(o=-0.0012,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 8 N GLU A 48 0.772 12.356 -4.848 1.00 0.00 N ATOM 9 CA GLU A 48 1.101 11.074 -5.479 1.00 0.00 C ATOM 10 C GLU A 48 1.156 9.988 -4.431 1.00 0.00 C ATOM 11 O GLU A 48 0.565 8.936 -4.612 1.00 0.00 O ATOM 12 CB GLU A 48 2.487 11.145 -6.135 1.00 0.00 C ATOM 13 CG GLU A 48 3.110 9.757 -6.376 1.00 0.00 C ATOM 14 CD GLU A 48 4.157 9.756 -7.476 1.00 0.00 C ATOM 15 OE1 GLU A 48 5.239 10.356 -7.289 1.00 0.00 O ATOM 16 OE2 GLU A 48 3.909 9.112 -8.525 1.00 0.00 O ATOM 0 HA GLU A 48 0.336 10.858 -6.225 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.406 11.671 -7.086 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.153 11.731 -5.502 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.564 9.404 -5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.321 9.051 -6.634 1.00 0.00 H new ATOM 23 N VAL A 49 1.849 10.252 -3.330 1.00 0.00 N ATOM 24 CA VAL A 49 2.009 9.308 -2.243 1.00 0.00 C ATOM 25 C VAL A 49 0.672 8.661 -1.869 1.00 0.00 C ATOM 26 O VAL A 49 0.616 7.445 -1.767 1.00 0.00 O ATOM 27 CB VAL A 49 2.766 10.013 -1.110 1.00 0.00 C ATOM 28 CG1 VAL A 49 2.045 11.267 -0.592 1.00 0.00 C ATOM 29 CG2 VAL A 49 3.082 9.040 0.024 1.00 0.00 C ATOM 0 H VAL A 49 2.320 11.142 -3.170 1.00 0.00 H new ATOM 0 HA VAL A 49 2.618 8.452 -2.532 1.00 0.00 H new ATOM 0 HB VAL A 49 3.707 10.362 -1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.631 11.719 0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.929 11.982 -1.406 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.063 10.990 -0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.619 9.565 0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.153 8.634 0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.700 8.227 -0.356 1.00 0.00 H new ATOM 39 N ARG A 50 -0.426 9.410 -1.716 1.00 0.00 N ATOM 40 CA ARG A 50 -1.708 8.769 -1.384 1.00 0.00 C ATOM 41 C ARG A 50 -2.226 7.910 -2.538 1.00 0.00 C ATOM 42 O ARG A 50 -2.878 6.913 -2.260 1.00 0.00 O ATOM 43 CB ARG A 50 -2.784 9.768 -0.973 1.00 0.00 C ATOM 44 CG ARG A 50 -2.684 10.296 0.464 1.00 0.00 C ATOM 45 CD ARG A 50 -4.046 10.869 0.851 1.00 0.00 C ATOM 46 NE ARG A 50 -3.990 11.695 2.065 1.00 0.00 N ATOM 47 CZ ARG A 50 -4.864 12.673 2.331 1.00 0.00 C ATOM 48 NH1 ARG A 50 -5.930 12.843 1.561 1.00 0.00 N ATOM 49 NH2 ARG A 50 -4.652 13.480 3.364 1.00 0.00 N ATOM 0 H ARG A 50 -0.458 10.425 -1.812 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.499 8.130 -0.526 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.747 10.616 -1.656 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.759 9.298 -1.101 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.400 9.494 1.146 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.913 11.063 0.535 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.431 11.469 0.026 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.749 10.051 1.006 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.247 11.514 2.740 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.086 12.227 0.763 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.594 13.589 1.767 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.827 13.353 3.950 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.314 14.227 3.572 1.00 0.00 H new ATOM 63 N ASN A 51 -1.974 8.296 -3.793 1.00 0.00 N ATOM 64 CA ASN A 51 -2.406 7.568 -4.990 1.00 0.00 C ATOM 65 C ASN A 51 -1.766 6.184 -4.970 1.00 0.00 C ATOM 66 O ASN A 51 -2.467 5.173 -4.979 1.00 0.00 O ATOM 67 CB ASN A 51 -2.013 8.273 -6.316 1.00 0.00 C ATOM 68 CG ASN A 51 -2.734 9.576 -6.617 1.00 0.00 C ATOM 69 OD1 ASN A 51 -2.864 10.453 -5.765 1.00 0.00 O ATOM 70 ND2 ASN A 51 -3.139 9.788 -7.859 1.00 0.00 N ATOM 0 H ASN A 51 -1.451 9.144 -4.010 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.495 7.519 -4.962 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.941 8.470 -6.296 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.194 7.582 -7.139 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.561 10.681 -8.112 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.029 9.058 -8.563 1.00 0.00 H new ATOM 77 N ILE A 52 -0.430 6.137 -4.922 1.00 0.00 N ATOM 78 CA ILE A 52 0.300 4.877 -4.911 1.00 0.00 C ATOM 79 C ILE A 52 -0.026 4.062 -3.663 1.00 0.00 C ATOM 80 O ILE A 52 -0.119 2.844 -3.766 1.00 0.00 O ATOM 81 CB ILE A 52 1.816 5.105 -5.068 1.00 0.00 C ATOM 82 CG1 ILE A 52 2.533 3.756 -5.233 1.00 0.00 C ATOM 83 CG2 ILE A 52 2.418 5.802 -3.849 1.00 0.00 C ATOM 84 CD1 ILE A 52 3.913 3.885 -5.866 1.00 0.00 C ATOM 0 H ILE A 52 0.165 6.965 -4.890 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.027 4.295 -5.772 1.00 0.00 H new ATOM 0 HB ILE A 52 1.952 5.736 -5.946 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.631 3.282 -4.256 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.918 3.098 -5.847 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.488 5.943 -4.002 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.940 6.772 -3.712 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.256 5.189 -2.962 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.366 2.898 -5.955 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.819 4.331 -6.856 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.542 4.518 -5.241 1.00 0.00 H new ATOM 96 N VAL A 53 -0.193 4.705 -2.504 1.00 0.00 N ATOM 97 CA VAL A 53 -0.508 4.059 -1.243 1.00 0.00 C ATOM 98 C VAL A 53 -1.826 3.324 -1.432 1.00 0.00 C ATOM 99 O VAL A 53 -1.851 2.097 -1.323 1.00 0.00 O ATOM 100 CB VAL A 53 -0.491 5.135 -0.129 1.00 0.00 C ATOM 101 CG1 VAL A 53 -1.272 4.866 1.147 1.00 0.00 C ATOM 102 CG2 VAL A 53 0.949 5.405 0.325 1.00 0.00 C ATOM 0 H VAL A 53 -0.109 5.718 -2.423 1.00 0.00 H new ATOM 0 HA VAL A 53 0.220 3.310 -0.931 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.987 5.968 -0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.161 5.711 1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.326 4.730 0.906 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.889 3.964 1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.947 6.163 1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.387 4.485 0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.537 5.759 -0.522 1.00 0.00 H new ATOM 112 N ASP A 54 -2.899 4.050 -1.737 1.00 0.00 N ATOM 113 CA ASP A 54 -4.253 3.550 -1.959 1.00 0.00 C ATOM 114 C ASP A 54 -4.262 2.356 -2.921 1.00 0.00 C ATOM 115 O ASP A 54 -4.743 1.274 -2.579 1.00 0.00 O ATOM 116 CB ASP A 54 -5.088 4.729 -2.476 1.00 0.00 C ATOM 117 CG ASP A 54 -6.505 4.352 -2.879 1.00 0.00 C ATOM 118 OD1 ASP A 54 -7.346 4.187 -1.971 1.00 0.00 O ATOM 119 OD2 ASP A 54 -6.776 4.345 -4.098 1.00 0.00 O ATOM 0 H ASP A 54 -2.843 5.063 -1.842 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.683 3.171 -1.032 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.133 5.496 -1.703 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.582 5.171 -3.335 1.00 0.00 H new ATOM 124 N LYS A 55 -3.646 2.510 -4.094 1.00 0.00 N ATOM 125 CA LYS A 55 -3.579 1.470 -5.115 1.00 0.00 C ATOM 126 C LYS A 55 -2.753 0.284 -4.649 1.00 0.00 C ATOM 127 O LYS A 55 -3.146 -0.868 -4.859 1.00 0.00 O ATOM 128 CB LYS A 55 -3.022 2.077 -6.399 1.00 0.00 C ATOM 129 CG LYS A 55 -4.129 2.877 -7.097 1.00 0.00 C ATOM 130 CD LYS A 55 -3.611 3.637 -8.327 1.00 0.00 C ATOM 131 CE LYS A 55 -3.049 2.671 -9.382 1.00 0.00 C ATOM 132 NZ LYS A 55 -2.828 3.317 -10.691 1.00 0.00 N ATOM 0 H LYS A 55 -3.174 3.373 -4.363 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.581 1.087 -5.307 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.176 2.725 -6.172 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.654 1.291 -7.058 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.927 2.200 -7.401 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.563 3.585 -6.391 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.420 4.224 -8.762 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.835 4.339 -8.023 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.107 2.257 -9.023 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.738 1.835 -9.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.449 2.619 -11.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.730 3.690 -11.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.149 4.098 -10.583 1.00 0.00 H new ATOM 146 N THR A 56 -1.600 0.525 -4.032 1.00 0.00 N ATOM 147 CA THR A 56 -0.797 -0.582 -3.542 1.00 0.00 C ATOM 148 C THR A 56 -1.600 -1.359 -2.491 1.00 0.00 C ATOM 149 O THR A 56 -1.582 -2.592 -2.517 1.00 0.00 O ATOM 150 CB THR A 56 0.562 -0.077 -3.046 1.00 0.00 C ATOM 151 OG1 THR A 56 1.208 0.523 -4.146 1.00 0.00 O ATOM 152 CG2 THR A 56 1.425 -1.244 -2.552 1.00 0.00 C ATOM 0 H THR A 56 -1.211 1.453 -3.864 1.00 0.00 H new ATOM 0 HA THR A 56 -0.570 -1.282 -4.346 1.00 0.00 H new ATOM 0 HB THR A 56 0.421 0.623 -2.223 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.889 1.444 -4.250 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.386 -0.864 -2.204 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.917 -1.751 -1.732 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.587 -1.948 -3.368 1.00 0.00 H new ATOM 160 N ALA A 57 -2.336 -0.667 -1.610 1.00 0.00 N ATOM 161 CA ALA A 57 -3.120 -1.339 -0.583 1.00 0.00 C ATOM 162 C ALA A 57 -4.194 -2.201 -1.216 1.00 0.00 C ATOM 163 O ALA A 57 -4.366 -3.324 -0.771 1.00 0.00 O ATOM 164 CB ALA A 57 -3.769 -0.362 0.388 1.00 0.00 C ATOM 0 H ALA A 57 -2.400 0.351 -1.593 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.426 -1.961 -0.018 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.341 -0.915 1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.996 0.224 0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.435 0.306 -0.159 1.00 0.00 H new ATOM 170 N SER A 58 -4.877 -1.707 -2.246 1.00 0.00 N ATOM 171 CA SER A 58 -5.923 -2.419 -2.960 1.00 0.00 C ATOM 172 C SER A 58 -5.413 -3.797 -3.401 1.00 0.00 C ATOM 173 O SER A 58 -5.978 -4.828 -3.047 1.00 0.00 O ATOM 174 CB SER A 58 -6.320 -1.549 -4.161 1.00 0.00 C ATOM 175 OG SER A 58 -7.357 -2.108 -4.937 1.00 0.00 O ATOM 0 H SER A 58 -4.709 -0.771 -2.615 1.00 0.00 H new ATOM 0 HA SER A 58 -6.793 -2.593 -2.326 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.632 -0.568 -3.803 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.446 -1.394 -4.793 1.00 0.00 H new ATOM 0 HG SER A 58 -8.221 -1.770 -4.621 1.00 0.00 H new ATOM 181 N PHE A 59 -4.297 -3.844 -4.128 1.00 0.00 N ATOM 182 CA PHE A 59 -3.742 -5.102 -4.610 1.00 0.00 C ATOM 183 C PHE A 59 -3.323 -6.032 -3.475 1.00 0.00 C ATOM 184 O PHE A 59 -3.590 -7.235 -3.539 1.00 0.00 O ATOM 185 CB PHE A 59 -2.569 -4.785 -5.522 1.00 0.00 C ATOM 186 CG PHE A 59 -2.173 -5.916 -6.445 1.00 0.00 C ATOM 187 CD1 PHE A 59 -2.832 -6.066 -7.681 1.00 0.00 C ATOM 188 CD2 PHE A 59 -1.159 -6.820 -6.077 1.00 0.00 C ATOM 189 CE1 PHE A 59 -2.467 -7.105 -8.553 1.00 0.00 C ATOM 190 CE2 PHE A 59 -0.804 -7.864 -6.949 1.00 0.00 C ATOM 191 CZ PHE A 59 -1.452 -8.004 -8.187 1.00 0.00 C ATOM 0 H PHE A 59 -3.760 -3.019 -4.395 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.515 -5.639 -5.160 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.818 -3.911 -6.124 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.710 -4.515 -4.908 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.619 -5.381 -7.959 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.655 -6.712 -5.128 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.967 -7.212 -9.504 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.030 -8.561 -6.666 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.170 -8.803 -8.857 1.00 0.00 H new ATOM 201 N VAL A 60 -2.653 -5.497 -2.454 1.00 0.00 N ATOM 202 CA VAL A 60 -2.204 -6.265 -1.297 1.00 0.00 C ATOM 203 C VAL A 60 -3.429 -6.789 -0.537 1.00 0.00 C ATOM 204 O VAL A 60 -3.399 -7.892 -0.004 1.00 0.00 O ATOM 205 CB VAL A 60 -1.296 -5.365 -0.436 1.00 0.00 C ATOM 206 CG1 VAL A 60 -0.917 -5.999 0.904 1.00 0.00 C ATOM 207 CG2 VAL A 60 0.017 -5.071 -1.180 1.00 0.00 C ATOM 0 H VAL A 60 -2.405 -4.509 -2.408 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.618 -7.135 -1.593 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.872 -4.459 -0.249 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.277 -5.315 1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.820 -6.202 1.479 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.383 -6.932 0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.651 -4.434 -0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.535 -6.007 -1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.203 -4.563 -2.119 1.00 0.00 H new ATOM 217 N ALA A 61 -4.515 -6.023 -0.487 1.00 0.00 N ATOM 218 CA ALA A 61 -5.743 -6.392 0.171 1.00 0.00 C ATOM 219 C ALA A 61 -6.342 -7.566 -0.584 1.00 0.00 C ATOM 220 O ALA A 61 -6.736 -8.543 0.053 1.00 0.00 O ATOM 221 CB ALA A 61 -6.700 -5.189 0.177 1.00 0.00 C ATOM 0 H ALA A 61 -4.555 -5.101 -0.920 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.563 -6.682 1.206 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.630 -5.466 0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.237 -4.358 0.710 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.913 -4.888 -0.849 1.00 0.00 H new ATOM 227 N ARG A 62 -6.364 -7.495 -1.921 1.00 0.00 N ATOM 228 CA ARG A 62 -6.937 -8.562 -2.723 1.00 0.00 C ATOM 229 C ARG A 62 -6.139 -9.857 -2.677 1.00 0.00 C ATOM 230 O ARG A 62 -6.704 -10.922 -2.419 1.00 0.00 O ATOM 231 CB ARG A 62 -7.116 -8.093 -4.175 1.00 0.00 C ATOM 232 CG ARG A 62 -8.224 -7.043 -4.289 1.00 0.00 C ATOM 233 CD ARG A 62 -8.883 -7.032 -5.670 1.00 0.00 C ATOM 234 NE ARG A 62 -10.048 -6.132 -5.667 1.00 0.00 N ATOM 235 CZ ARG A 62 -10.093 -4.850 -6.054 1.00 0.00 C ATOM 236 NH1 ARG A 62 -9.081 -4.304 -6.721 1.00 0.00 N ATOM 237 NH2 ARG A 62 -11.167 -4.133 -5.759 1.00 0.00 N ATOM 0 H ARG A 62 -5.992 -6.712 -2.459 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.908 -8.791 -2.284 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.178 -7.676 -4.543 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.355 -8.947 -4.808 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.982 -7.236 -3.530 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.808 -6.057 -4.081 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.164 -6.707 -6.422 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.194 -8.041 -5.941 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.924 -6.531 -5.331 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.257 -4.862 -6.944 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.128 -3.327 -7.010 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.939 -4.559 -5.247 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.222 -3.155 -6.044 1.00 0.00 H new ATOM 251 N ASN A 63 -4.844 -9.778 -2.972 1.00 0.00 N ATOM 252 CA ASN A 63 -3.961 -10.945 -3.005 1.00 0.00 C ATOM 253 C ASN A 63 -3.678 -11.498 -1.615 1.00 0.00 C ATOM 254 O ASN A 63 -3.724 -12.710 -1.427 1.00 0.00 O ATOM 255 CB ASN A 63 -2.615 -10.631 -3.672 1.00 0.00 C ATOM 256 CG ASN A 63 -2.694 -10.381 -5.170 1.00 0.00 C ATOM 257 OD1 ASN A 63 -2.222 -11.175 -5.977 1.00 0.00 O ATOM 258 ND2 ASN A 63 -3.261 -9.254 -5.569 1.00 0.00 N ATOM 0 H ASN A 63 -4.374 -8.901 -3.196 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.498 -11.691 -3.590 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.183 -9.753 -3.193 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.932 -11.461 -3.491 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.311 -9.033 -6.563 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -3.648 -8.607 -4.882 1.00 0.00 H new ATOM 265 N GLY A 64 -3.389 -10.633 -0.645 1.00 0.00 N ATOM 266 CA GLY A 64 -3.081 -10.993 0.726 1.00 0.00 C ATOM 267 C GLY A 64 -1.828 -10.263 1.219 1.00 0.00 C ATOM 268 O GLY A 64 -1.077 -9.693 0.417 1.00 0.00 O ATOM 0 H GLY A 64 -3.364 -9.626 -0.805 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.926 -10.746 1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.930 -12.070 0.797 1.00 0.00 H new ATOM 272 N PRO A 65 -1.557 -10.302 2.536 1.00 0.00 N ATOM 273 CA PRO A 65 -0.407 -9.639 3.143 1.00 0.00 C ATOM 274 C PRO A 65 0.933 -10.142 2.608 1.00 0.00 C ATOM 275 O PRO A 65 1.926 -9.435 2.762 1.00 0.00 O ATOM 276 CB PRO A 65 -0.549 -9.829 4.656 1.00 0.00 C ATOM 277 CG PRO A 65 -1.456 -11.051 4.782 1.00 0.00 C ATOM 278 CD PRO A 65 -2.361 -10.953 3.558 1.00 0.00 C ATOM 0 HA PRO A 65 -0.403 -8.580 2.884 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.417 -9.997 5.131 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.990 -8.952 5.130 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.882 -11.978 4.783 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.030 -11.030 5.708 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.688 -11.940 3.231 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.259 -10.376 3.778 1.00 0.00 H new ATOM 286 N GLU A 66 0.984 -11.304 1.944 1.00 0.00 N ATOM 287 CA GLU A 66 2.227 -11.823 1.383 1.00 0.00 C ATOM 288 C GLU A 66 2.848 -10.798 0.418 1.00 0.00 C ATOM 289 O GLU A 66 4.076 -10.690 0.319 1.00 0.00 O ATOM 290 CB GLU A 66 2.002 -13.176 0.675 1.00 0.00 C ATOM 291 CG GLU A 66 0.871 -13.189 -0.373 1.00 0.00 C ATOM 292 CD GLU A 66 1.048 -14.278 -1.438 1.00 0.00 C ATOM 293 OE1 GLU A 66 1.612 -15.356 -1.146 1.00 0.00 O ATOM 294 OE2 GLU A 66 0.684 -14.034 -2.610 1.00 0.00 O ATOM 0 H GLU A 66 0.172 -11.901 1.785 1.00 0.00 H new ATOM 0 HA GLU A 66 2.923 -11.993 2.205 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.931 -13.471 0.187 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.784 -13.931 1.430 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.083 -13.336 0.133 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.826 -12.216 -0.862 1.00 0.00 H new ATOM 301 N PHE A 67 2.001 -10.030 -0.278 1.00 0.00 N ATOM 302 CA PHE A 67 2.423 -9.012 -1.221 1.00 0.00 C ATOM 303 C PHE A 67 2.983 -7.794 -0.512 1.00 0.00 C ATOM 304 O PHE A 67 3.830 -7.109 -1.080 1.00 0.00 O ATOM 305 CB PHE A 67 1.269 -8.617 -2.144 1.00 0.00 C ATOM 306 CG PHE A 67 1.280 -9.426 -3.412 1.00 0.00 C ATOM 307 CD1 PHE A 67 2.019 -8.957 -4.511 1.00 0.00 C ATOM 308 CD2 PHE A 67 0.634 -10.669 -3.467 1.00 0.00 C ATOM 309 CE1 PHE A 67 2.086 -9.716 -5.688 1.00 0.00 C ATOM 310 CE2 PHE A 67 0.714 -11.437 -4.643 1.00 0.00 C ATOM 311 CZ PHE A 67 1.424 -10.951 -5.756 1.00 0.00 C ATOM 0 H PHE A 67 0.987 -10.108 -0.193 1.00 0.00 H new ATOM 0 HA PHE A 67 3.222 -9.437 -1.829 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.321 -8.762 -1.626 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.341 -7.557 -2.386 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.536 -8.011 -4.449 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.080 -11.034 -2.615 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.644 -9.352 -6.538 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.230 -12.401 -4.691 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.460 -11.531 -6.666 1.00 0.00 H new ATOM 321 N GLU A 68 2.529 -7.503 0.708 1.00 0.00 N ATOM 322 CA GLU A 68 3.021 -6.357 1.453 1.00 0.00 C ATOM 323 C GLU A 68 4.504 -6.544 1.755 1.00 0.00 C ATOM 324 O GLU A 68 5.212 -5.566 1.977 1.00 0.00 O ATOM 325 CB GLU A 68 2.232 -6.195 2.766 1.00 0.00 C ATOM 326 CG GLU A 68 2.459 -4.819 3.404 1.00 0.00 C ATOM 327 CD GLU A 68 1.572 -4.517 4.619 1.00 0.00 C ATOM 328 OE1 GLU A 68 0.438 -5.034 4.734 1.00 0.00 O ATOM 329 OE2 GLU A 68 2.012 -3.714 5.475 1.00 0.00 O ATOM 0 H GLU A 68 1.820 -8.050 1.197 1.00 0.00 H new ATOM 0 HA GLU A 68 2.885 -5.457 0.853 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.169 -6.333 2.570 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.531 -6.974 3.467 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.503 -4.743 3.707 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.289 -4.052 2.649 1.00 0.00 H new ATOM 336 N ALA A 69 4.979 -7.789 1.828 1.00 0.00 N ATOM 337 CA ALA A 69 6.375 -8.080 2.086 1.00 0.00 C ATOM 338 C ALA A 69 7.140 -8.144 0.768 1.00 0.00 C ATOM 339 O ALA A 69 8.217 -7.564 0.670 1.00 0.00 O ATOM 340 CB ALA A 69 6.492 -9.402 2.841 1.00 0.00 C ATOM 0 H ALA A 69 4.399 -8.619 1.708 1.00 0.00 H new ATOM 0 HA ALA A 69 6.806 -7.289 2.699 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.543 -9.619 3.034 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.957 -9.329 3.788 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.060 -10.203 2.241 1.00 0.00 H new ATOM 346 N ARG A 70 6.602 -8.851 -0.235 1.00 0.00 N ATOM 347 CA ARG A 70 7.243 -8.989 -1.542 1.00 0.00 C ATOM 348 C ARG A 70 7.489 -7.633 -2.180 1.00 0.00 C ATOM 349 O ARG A 70 8.639 -7.286 -2.415 1.00 0.00 O ATOM 350 CB ARG A 70 6.413 -9.880 -2.464 1.00 0.00 C ATOM 351 CG ARG A 70 6.599 -11.367 -2.139 1.00 0.00 C ATOM 352 CD ARG A 70 5.426 -12.118 -2.750 1.00 0.00 C ATOM 353 NE ARG A 70 5.611 -13.578 -2.755 1.00 0.00 N ATOM 354 CZ ARG A 70 4.656 -14.455 -3.092 1.00 0.00 C ATOM 355 NH1 ARG A 70 3.467 -14.029 -3.504 1.00 0.00 N ATOM 356 NH2 ARG A 70 4.878 -15.759 -2.994 1.00 0.00 N ATOM 0 H ARG A 70 5.711 -9.341 -0.159 1.00 0.00 H new ATOM 0 HA ARG A 70 8.211 -9.466 -1.389 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.359 -9.617 -2.372 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.698 -9.696 -3.500 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.542 -11.733 -2.545 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.634 -11.522 -1.061 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.519 -11.875 -2.196 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.276 -11.774 -3.773 1.00 0.00 H new ATOM 0 HE ARG A 70 6.524 -13.945 -2.485 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.277 -13.029 -3.565 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.744 -14.702 -3.759 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.780 -16.099 -2.660 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.147 -16.422 -3.252 1.00 0.00 H new ATOM 370 N ILE A 71 6.429 -6.861 -2.434 1.00 0.00 N ATOM 371 CA ILE A 71 6.534 -5.543 -3.060 1.00 0.00 C ATOM 372 C ILE A 71 7.555 -4.702 -2.299 1.00 0.00 C ATOM 373 O ILE A 71 8.451 -4.121 -2.907 1.00 0.00 O ATOM 374 CB ILE A 71 5.162 -4.831 -3.093 1.00 0.00 C ATOM 375 CG1 ILE A 71 4.092 -5.607 -3.887 1.00 0.00 C ATOM 376 CG2 ILE A 71 5.285 -3.419 -3.698 1.00 0.00 C ATOM 377 CD1 ILE A 71 2.671 -5.175 -3.509 1.00 0.00 C ATOM 0 H ILE A 71 5.472 -7.134 -2.210 1.00 0.00 H new ATOM 0 HA ILE A 71 6.864 -5.669 -4.091 1.00 0.00 H new ATOM 0 HB ILE A 71 4.841 -4.775 -2.053 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.247 -5.449 -4.954 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.207 -6.675 -3.703 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.305 -2.941 -3.709 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.972 -2.824 -3.096 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.665 -3.492 -4.717 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.950 -5.747 -4.092 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.506 -5.358 -2.447 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.546 -4.113 -3.718 1.00 0.00 H new ATOM 389 N ARG A 72 7.416 -4.660 -0.971 1.00 0.00 N ATOM 390 CA ARG A 72 8.290 -3.893 -0.108 1.00 0.00 C ATOM 391 C ARG A 72 9.748 -4.252 -0.320 1.00 0.00 C ATOM 392 O ARG A 72 10.554 -3.343 -0.479 1.00 0.00 O ATOM 393 CB ARG A 72 7.857 -4.071 1.343 1.00 0.00 C ATOM 394 CG ARG A 72 8.669 -3.217 2.324 1.00 0.00 C ATOM 395 CD ARG A 72 8.087 -3.364 3.731 1.00 0.00 C ATOM 396 NE ARG A 72 8.152 -4.751 4.214 1.00 0.00 N ATOM 397 CZ ARG A 72 9.176 -5.346 4.830 1.00 0.00 C ATOM 398 NH1 ARG A 72 10.264 -4.677 5.186 1.00 0.00 N ATOM 399 NH2 ARG A 72 9.097 -6.645 5.082 1.00 0.00 N ATOM 0 H ARG A 72 6.685 -5.165 -0.470 1.00 0.00 H new ATOM 0 HA ARG A 72 8.202 -2.838 -0.366 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.802 -3.814 1.435 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.954 -5.121 1.618 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.713 -3.529 2.316 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.647 -2.171 2.017 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.631 -2.716 4.418 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.050 -3.029 3.731 1.00 0.00 H new ATOM 0 HE ARG A 72 7.321 -5.323 4.061 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.336 -3.678 4.990 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.029 -5.161 5.655 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.266 -7.168 4.806 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.867 -7.121 5.552 1.00 0.00 H new ATOM 413 N GLN A 73 10.110 -5.531 -0.311 1.00 0.00 N ATOM 414 CA GLN A 73 11.503 -5.898 -0.496 1.00 0.00 C ATOM 415 C GLN A 73 11.970 -5.726 -1.943 1.00 0.00 C ATOM 416 O GLN A 73 13.128 -5.391 -2.167 1.00 0.00 O ATOM 417 CB GLN A 73 11.737 -7.327 0.024 1.00 0.00 C ATOM 418 CG GLN A 73 13.051 -7.399 0.810 1.00 0.00 C ATOM 419 CD GLN A 73 13.017 -6.522 2.063 1.00 0.00 C ATOM 420 OE1 GLN A 73 12.184 -6.707 2.949 1.00 0.00 O ATOM 421 NE2 GLN A 73 13.887 -5.528 2.160 1.00 0.00 N ATOM 0 H GLN A 73 9.470 -6.314 -0.180 1.00 0.00 H new ATOM 0 HA GLN A 73 12.114 -5.211 0.089 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.907 -7.630 0.662 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.767 -8.025 -0.812 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.246 -8.433 1.096 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.875 -7.084 0.169 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.576 -5.379 1.422 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.868 -4.911 2.972 1.00 0.00 H new ATOM 430 N ASN A 74 11.086 -5.900 -2.923 1.00 0.00 N ATOM 431 CA ASN A 74 11.422 -5.779 -4.339 1.00 0.00 C ATOM 432 C ASN A 74 11.766 -4.347 -4.727 1.00 0.00 C ATOM 433 O ASN A 74 12.760 -4.104 -5.417 1.00 0.00 O ATOM 434 CB ASN A 74 10.252 -6.267 -5.212 1.00 0.00 C ATOM 435 CG ASN A 74 9.990 -7.759 -5.059 1.00 0.00 C ATOM 436 OD1 ASN A 74 10.876 -8.518 -4.668 1.00 0.00 O ATOM 437 ND2 ASN A 74 8.769 -8.200 -5.327 1.00 0.00 N ATOM 0 H ASN A 74 10.107 -6.131 -2.754 1.00 0.00 H new ATOM 0 HA ASN A 74 12.301 -6.401 -4.509 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.351 -5.715 -4.947 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.466 -6.045 -6.257 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.547 -9.189 -5.210 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.052 -7.551 -5.650 1.00 0.00 H new ATOM 444 N GLU A 75 10.972 -3.390 -4.264 1.00 0.00 N ATOM 445 CA GLU A 75 11.141 -1.977 -4.574 1.00 0.00 C ATOM 446 C GLU A 75 11.844 -1.207 -3.446 1.00 0.00 C ATOM 447 O GLU A 75 11.863 0.021 -3.470 1.00 0.00 O ATOM 448 CB GLU A 75 9.759 -1.391 -4.910 1.00 0.00 C ATOM 449 CG GLU A 75 8.971 -2.114 -6.025 1.00 0.00 C ATOM 450 CD GLU A 75 9.467 -1.848 -7.452 1.00 0.00 C ATOM 451 OE1 GLU A 75 10.681 -1.629 -7.669 1.00 0.00 O ATOM 452 OE2 GLU A 75 8.637 -1.919 -8.393 1.00 0.00 O ATOM 0 H GLU A 75 10.178 -3.578 -3.651 1.00 0.00 H new ATOM 0 HA GLU A 75 11.800 -1.873 -5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.154 -1.395 -4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.889 -0.349 -5.201 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.010 -3.187 -5.838 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.924 -1.817 -5.960 1.00 0.00 H new ATOM 459 N ILE A 76 12.463 -1.883 -2.467 1.00 0.00 N ATOM 460 CA ILE A 76 13.139 -1.221 -1.343 1.00 0.00 C ATOM 461 C ILE A 76 14.228 -0.229 -1.769 1.00 0.00 C ATOM 462 O ILE A 76 14.518 0.738 -1.064 1.00 0.00 O ATOM 463 CB ILE A 76 13.695 -2.277 -0.361 1.00 0.00 C ATOM 464 CG1 ILE A 76 14.091 -1.677 1.004 1.00 0.00 C ATOM 465 CG2 ILE A 76 14.879 -3.064 -0.952 1.00 0.00 C ATOM 466 CD1 ILE A 76 12.970 -0.881 1.680 1.00 0.00 C ATOM 0 H ILE A 76 12.509 -2.901 -2.433 1.00 0.00 H new ATOM 0 HA ILE A 76 12.384 -0.618 -0.839 1.00 0.00 H new ATOM 0 HB ILE A 76 12.871 -2.971 -0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 76 14.402 -2.483 1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 76 14.954 -1.026 0.867 1.00 0.00 H new ATOM 0 HG21 ILE A 76 15.232 -3.793 -0.222 1.00 0.00 H new ATOM 0 HG22 ILE A 76 14.557 -3.582 -1.855 1.00 0.00 H new ATOM 0 HG23 ILE A 76 15.687 -2.375 -1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 76 13.325 -0.491 2.634 1.00 0.00 H new ATOM 0 HD12 ILE A 76 12.674 -0.052 1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.113 -1.532 1.850 1.00 0.00 H new ATOM 478 N ASN A 77 14.853 -0.468 -2.921 1.00 0.00 N ATOM 479 CA ASN A 77 15.914 0.375 -3.457 1.00 0.00 C ATOM 480 C ASN A 77 15.356 1.632 -4.137 1.00 0.00 C ATOM 481 O ASN A 77 16.130 2.401 -4.700 1.00 0.00 O ATOM 482 CB ASN A 77 16.782 -0.446 -4.421 1.00 0.00 C ATOM 483 CG ASN A 77 17.331 -1.709 -3.779 1.00 0.00 C ATOM 484 OD1 ASN A 77 16.794 -2.796 -3.991 1.00 0.00 O ATOM 485 ND2 ASN A 77 18.383 -1.615 -2.991 1.00 0.00 N ATOM 0 H ASN A 77 14.631 -1.266 -3.516 1.00 0.00 H new ATOM 0 HA ASN A 77 16.533 0.721 -2.629 1.00 0.00 H new ATOM 0 HB2 ASN A 77 16.192 -0.715 -5.297 1.00 0.00 H new ATOM 0 HB3 ASN A 77 17.611 0.169 -4.772 1.00 0.00 H new ATOM 0 HD21 ASN A 77 18.764 -2.451 -2.547 1.00 0.00 H new ATOM 0 HD22 ASN A 77 18.817 -0.707 -2.825 1.00 0.00 H new ATOM 492 N ASN A 78 14.037 1.848 -4.117 1.00 0.00 N ATOM 493 CA ASN A 78 13.356 2.992 -4.709 1.00 0.00 C ATOM 494 C ASN A 78 12.448 3.593 -3.644 1.00 0.00 C ATOM 495 O ASN A 78 11.612 2.889 -3.077 1.00 0.00 O ATOM 496 CB ASN A 78 12.537 2.565 -5.934 1.00 0.00 C ATOM 497 CG ASN A 78 13.318 2.759 -7.223 1.00 0.00 C ATOM 498 OD1 ASN A 78 14.426 2.247 -7.380 1.00 0.00 O ATOM 499 ND2 ASN A 78 12.763 3.488 -8.174 1.00 0.00 N ATOM 0 H ASN A 78 13.391 1.199 -3.667 1.00 0.00 H new ATOM 0 HA ASN A 78 14.085 3.728 -5.047 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.252 1.518 -5.835 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.615 3.144 -5.976 1.00 0.00 H new ATOM 0 HD21 ASN A 78 13.254 3.634 -9.056 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.844 3.905 -8.026 1.00 0.00 H new ATOM 506 N PRO A 79 12.543 4.899 -3.372 1.00 0.00 N ATOM 507 CA PRO A 79 11.729 5.545 -2.358 1.00 0.00 C ATOM 508 C PRO A 79 10.241 5.638 -2.722 1.00 0.00 C ATOM 509 O PRO A 79 9.425 5.943 -1.853 1.00 0.00 O ATOM 510 CB PRO A 79 12.387 6.901 -2.135 1.00 0.00 C ATOM 511 CG PRO A 79 13.071 7.204 -3.466 1.00 0.00 C ATOM 512 CD PRO A 79 13.472 5.836 -3.976 1.00 0.00 C ATOM 0 HA PRO A 79 11.702 4.957 -1.440 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.652 7.664 -1.881 1.00 0.00 H new ATOM 0 HB3 PRO A 79 13.105 6.866 -1.316 1.00 0.00 H new ATOM 0 HG2 PRO A 79 12.397 7.709 -4.158 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.937 7.853 -3.334 1.00 0.00 H new ATOM 0 HD2 PRO A 79 13.418 5.793 -5.064 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.500 5.601 -3.698 1.00 0.00 H new ATOM 520 N LYS A 80 9.832 5.331 -3.956 1.00 0.00 N ATOM 521 CA LYS A 80 8.422 5.376 -4.353 1.00 0.00 C ATOM 522 C LYS A 80 7.559 4.454 -3.498 1.00 0.00 C ATOM 523 O LYS A 80 6.394 4.768 -3.271 1.00 0.00 O ATOM 524 CB LYS A 80 8.289 4.940 -5.822 1.00 0.00 C ATOM 525 CG LYS A 80 8.097 6.112 -6.790 1.00 0.00 C ATOM 526 CD LYS A 80 6.815 5.965 -7.617 1.00 0.00 C ATOM 527 CE LYS A 80 6.725 7.139 -8.592 1.00 0.00 C ATOM 528 NZ LYS A 80 5.517 7.080 -9.433 1.00 0.00 N ATOM 0 H LYS A 80 10.464 5.046 -4.704 1.00 0.00 H new ATOM 0 HA LYS A 80 8.077 6.401 -4.215 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.181 4.383 -6.110 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.443 4.259 -5.916 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.062 7.045 -6.228 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.955 6.175 -7.459 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.823 5.021 -8.162 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.943 5.949 -6.963 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.729 8.074 -8.032 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.609 7.146 -9.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.744 7.417 -10.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.176 6.099 -9.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.777 7.683 -9.020 1.00 0.00 H new ATOM 542 N PHE A 81 8.129 3.360 -2.996 1.00 0.00 N ATOM 543 CA PHE A 81 7.452 2.362 -2.183 1.00 0.00 C ATOM 544 C PHE A 81 7.828 2.438 -0.705 1.00 0.00 C ATOM 545 O PHE A 81 7.446 1.554 0.063 1.00 0.00 O ATOM 546 CB PHE A 81 7.723 0.996 -2.810 1.00 0.00 C ATOM 547 CG PHE A 81 7.137 0.810 -4.201 1.00 0.00 C ATOM 548 CD1 PHE A 81 7.833 1.270 -5.337 1.00 0.00 C ATOM 549 CD2 PHE A 81 5.917 0.127 -4.368 1.00 0.00 C ATOM 550 CE1 PHE A 81 7.342 1.009 -6.627 1.00 0.00 C ATOM 551 CE2 PHE A 81 5.426 -0.137 -5.659 1.00 0.00 C ATOM 552 CZ PHE A 81 6.148 0.288 -6.788 1.00 0.00 C ATOM 0 H PHE A 81 9.113 3.140 -3.153 1.00 0.00 H new ATOM 0 HA PHE A 81 6.379 2.553 -2.181 1.00 0.00 H new ATOM 0 HB2 PHE A 81 8.801 0.842 -2.861 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.321 0.224 -2.154 1.00 0.00 H new ATOM 0 HD1 PHE A 81 8.750 1.827 -5.215 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.357 -0.195 -3.502 1.00 0.00 H new ATOM 0 HE1 PHE A 81 7.882 1.362 -7.493 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.493 -0.667 -5.783 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.784 0.060 -7.779 1.00 0.00 H new ATOM 562 N ASN A 82 8.537 3.483 -0.261 1.00 0.00 N ATOM 563 CA ASN A 82 8.939 3.640 1.135 1.00 0.00 C ATOM 564 C ASN A 82 7.752 3.595 2.096 1.00 0.00 C ATOM 565 O ASN A 82 7.911 3.135 3.222 1.00 0.00 O ATOM 566 CB ASN A 82 9.698 4.952 1.318 1.00 0.00 C ATOM 567 CG ASN A 82 10.983 4.728 2.081 1.00 0.00 C ATOM 568 OD1 ASN A 82 11.028 4.074 3.117 1.00 0.00 O ATOM 569 ND2 ASN A 82 12.071 5.221 1.529 1.00 0.00 N ATOM 0 H ASN A 82 8.847 4.244 -0.865 1.00 0.00 H new ATOM 0 HA ASN A 82 9.586 2.797 1.376 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.920 5.388 0.344 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.073 5.667 1.852 1.00 0.00 H new ATOM 0 HD21 ASN A 82 12.980 5.062 1.963 1.00 0.00 H new ATOM 0 HD22 ASN A 82 12.005 5.762 0.667 1.00 0.00 H new ATOM 576 N PHE A 83 6.557 3.990 1.637 1.00 0.00 N ATOM 577 CA PHE A 83 5.326 3.990 2.427 1.00 0.00 C ATOM 578 C PHE A 83 5.004 2.605 3.011 1.00 0.00 C ATOM 579 O PHE A 83 4.229 2.496 3.965 1.00 0.00 O ATOM 580 CB PHE A 83 4.159 4.516 1.574 1.00 0.00 C ATOM 581 CG PHE A 83 3.785 3.635 0.388 1.00 0.00 C ATOM 582 CD1 PHE A 83 2.994 2.483 0.577 1.00 0.00 C ATOM 583 CD2 PHE A 83 4.223 3.955 -0.911 1.00 0.00 C ATOM 584 CE1 PHE A 83 2.699 1.640 -0.507 1.00 0.00 C ATOM 585 CE2 PHE A 83 3.953 3.095 -1.981 1.00 0.00 C ATOM 586 CZ PHE A 83 3.208 1.930 -1.781 1.00 0.00 C ATOM 0 H PHE A 83 6.420 4.326 0.684 1.00 0.00 H new ATOM 0 HA PHE A 83 5.477 4.655 3.277 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.284 4.631 2.213 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.416 5.508 1.204 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.613 2.248 1.560 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.771 4.870 -1.083 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.080 0.768 -0.359 1.00 0.00 H new ATOM 0 HE2 PHE A 83 4.323 3.333 -2.967 1.00 0.00 H new ATOM 0 HZ PHE A 83 3.025 1.256 -2.604 1.00 0.00 H new ATOM 596 N LEU A 84 5.561 1.540 2.422 1.00 0.00 N ATOM 597 CA LEU A 84 5.360 0.171 2.867 1.00 0.00 C ATOM 598 C LEU A 84 6.066 -0.094 4.201 1.00 0.00 C ATOM 599 O LEU A 84 5.713 -1.050 4.898 1.00 0.00 O ATOM 600 CB LEU A 84 5.819 -0.805 1.772 1.00 0.00 C ATOM 601 CG LEU A 84 4.841 -0.890 0.590 1.00 0.00 C ATOM 602 CD1 LEU A 84 5.427 -1.751 -0.526 1.00 0.00 C ATOM 603 CD2 LEU A 84 3.493 -1.491 0.999 1.00 0.00 C ATOM 0 H LEU A 84 6.173 1.615 1.610 1.00 0.00 H new ATOM 0 HA LEU A 84 4.296 0.012 3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.797 -0.495 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.941 -1.797 2.206 1.00 0.00 H new ATOM 0 HG LEU A 84 4.682 0.131 0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.722 -1.801 -1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.363 -1.312 -0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.616 -2.756 -0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.834 -1.531 0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.646 -2.499 1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.038 -0.871 1.772 1.00 0.00 H new ATOM 615 N ASN A 85 7.077 0.700 4.550 1.00 0.00 N ATOM 616 CA ASN A 85 7.834 0.613 5.800 1.00 0.00 C ATOM 617 C ASN A 85 7.202 1.566 6.827 1.00 0.00 C ATOM 618 O ASN A 85 6.582 2.558 6.453 1.00 0.00 O ATOM 619 CB ASN A 85 9.322 0.901 5.560 1.00 0.00 C ATOM 620 CG ASN A 85 10.002 -0.355 5.039 1.00 0.00 C ATOM 621 OD1 ASN A 85 10.108 -1.355 5.750 1.00 0.00 O ATOM 622 ND2 ASN A 85 10.373 -0.383 3.775 1.00 0.00 N ATOM 0 H ASN A 85 7.405 1.453 3.945 1.00 0.00 H new ATOM 0 HA ASN A 85 7.786 -0.400 6.200 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.435 1.713 4.842 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.795 1.226 6.487 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.753 -1.240 3.374 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.280 0.453 3.197 1.00 0.00 H new ATOM 629 N PRO A 86 7.380 1.313 8.134 1.00 0.00 N ATOM 630 CA PRO A 86 6.793 2.115 9.208 1.00 0.00 C ATOM 631 C PRO A 86 7.410 3.488 9.458 1.00 0.00 C ATOM 632 O PRO A 86 6.813 4.288 10.183 1.00 0.00 O ATOM 633 CB PRO A 86 6.944 1.254 10.462 1.00 0.00 C ATOM 634 CG PRO A 86 8.219 0.473 10.174 1.00 0.00 C ATOM 635 CD PRO A 86 8.102 0.182 8.688 1.00 0.00 C ATOM 0 HA PRO A 86 5.768 2.355 8.924 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.035 1.861 11.363 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.088 0.595 10.607 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.111 1.055 10.404 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.275 -0.442 10.763 1.00 0.00 H new ATOM 0 HD2 PRO A 86 9.085 0.079 8.228 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.568 -0.751 8.510 1.00 0.00 H new ATOM 643 N ASN A 87 8.585 3.776 8.900 1.00 0.00 N ATOM 644 CA ASN A 87 9.268 5.060 9.096 1.00 0.00 C ATOM 645 C ASN A 87 8.678 6.171 8.220 1.00 0.00 C ATOM 646 O ASN A 87 9.120 7.322 8.283 1.00 0.00 O ATOM 647 CB ASN A 87 10.781 4.925 8.855 1.00 0.00 C ATOM 648 CG ASN A 87 11.398 3.669 9.454 1.00 0.00 C ATOM 649 OD1 ASN A 87 12.030 2.895 8.738 1.00 0.00 O ATOM 650 ND2 ASN A 87 11.208 3.394 10.735 1.00 0.00 N ATOM 0 H ASN A 87 9.093 3.127 8.299 1.00 0.00 H new ATOM 0 HA ASN A 87 9.107 5.347 10.135 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.969 4.932 7.781 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.283 5.798 9.272 1.00 0.00 H new ATOM 0 HD21 ASN A 87 11.587 2.535 11.134 1.00 0.00 H new ATOM 0 HD22 ASN A 87 10.683 4.041 11.323 1.00 0.00 H new ATOM 657 N ASP A 88 7.672 5.845 7.407 1.00 0.00 N ATOM 658 CA ASP A 88 7.017 6.785 6.515 1.00 0.00 C ATOM 659 C ASP A 88 5.868 7.500 7.226 1.00 0.00 C ATOM 660 O ASP A 88 5.234 6.935 8.125 1.00 0.00 O ATOM 661 CB ASP A 88 6.535 6.052 5.257 1.00 0.00 C ATOM 662 CG ASP A 88 7.267 6.609 4.045 1.00 0.00 C ATOM 663 OD1 ASP A 88 8.516 6.545 4.036 1.00 0.00 O ATOM 664 OD2 ASP A 88 6.593 7.181 3.162 1.00 0.00 O ATOM 0 H ASP A 88 7.287 4.902 7.354 1.00 0.00 H new ATOM 0 HA ASP A 88 7.732 7.550 6.213 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.722 4.982 5.350 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.459 6.178 5.137 1.00 0.00 H new ATOM 669 N PRO A 89 5.545 8.738 6.826 1.00 0.00 N ATOM 670 CA PRO A 89 4.482 9.522 7.440 1.00 0.00 C ATOM 671 C PRO A 89 3.079 9.034 7.102 1.00 0.00 C ATOM 672 O PRO A 89 2.137 9.346 7.833 1.00 0.00 O ATOM 673 CB PRO A 89 4.691 10.942 6.916 1.00 0.00 C ATOM 674 CG PRO A 89 5.513 10.811 5.637 1.00 0.00 C ATOM 675 CD PRO A 89 6.221 9.477 5.775 1.00 0.00 C ATOM 0 HA PRO A 89 4.542 9.444 8.526 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.736 11.427 6.716 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.212 11.555 7.652 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.877 10.833 4.752 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.225 11.630 5.538 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.189 8.926 4.835 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.272 9.623 6.023 1.00 0.00 H new ATOM 683 N TYR A 90 2.933 8.261 6.030 1.00 0.00 N ATOM 684 CA TYR A 90 1.656 7.734 5.580 1.00 0.00 C ATOM 685 C TYR A 90 1.498 6.247 5.854 1.00 0.00 C ATOM 686 O TYR A 90 0.474 5.689 5.475 1.00 0.00 O ATOM 687 CB TYR A 90 1.520 7.990 4.086 1.00 0.00 C ATOM 688 CG TYR A 90 1.447 9.453 3.708 1.00 0.00 C ATOM 689 CD1 TYR A 90 0.210 10.126 3.696 1.00 0.00 C ATOM 690 CD2 TYR A 90 2.610 10.113 3.282 1.00 0.00 C ATOM 691 CE1 TYR A 90 0.119 11.430 3.176 1.00 0.00 C ATOM 692 CE2 TYR A 90 2.525 11.415 2.770 1.00 0.00 C ATOM 693 CZ TYR A 90 1.281 12.079 2.701 1.00 0.00 C ATOM 694 OH TYR A 90 1.215 13.319 2.142 1.00 0.00 O ATOM 0 H TYR A 90 3.717 7.980 5.441 1.00 0.00 H new ATOM 0 HA TYR A 90 0.873 8.244 6.141 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.368 7.536 3.573 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.623 7.488 3.724 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -0.671 9.640 4.087 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.568 9.619 3.349 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.836 11.933 3.140 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.418 11.914 2.425 1.00 0.00 H new ATOM 0 HH TYR A 90 2.113 13.606 1.875 1.00 0.00 H new ATOM 704 N HIS A 91 2.476 5.600 6.486 1.00 0.00 N ATOM 705 CA HIS A 91 2.390 4.177 6.774 1.00 0.00 C ATOM 706 C HIS A 91 1.087 3.822 7.497 1.00 0.00 C ATOM 707 O HIS A 91 0.373 2.929 7.049 1.00 0.00 O ATOM 708 CB HIS A 91 3.602 3.693 7.568 1.00 0.00 C ATOM 709 CG HIS A 91 3.570 2.194 7.670 1.00 0.00 C ATOM 710 ND1 HIS A 91 3.723 1.332 6.611 1.00 0.00 N ATOM 711 CD2 HIS A 91 3.305 1.452 8.791 1.00 0.00 C ATOM 712 CE1 HIS A 91 3.563 0.090 7.085 1.00 0.00 C ATOM 713 NE2 HIS A 91 3.324 0.106 8.410 1.00 0.00 N ATOM 0 H HIS A 91 3.337 6.043 6.807 1.00 0.00 H new ATOM 0 HA HIS A 91 2.388 3.658 5.816 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.522 4.015 7.080 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.598 4.136 8.564 1.00 0.00 H new ATOM 0 HD1 HIS A 91 3.921 1.590 5.644 1.00 0.00 H new ATOM 0 HD2 HIS A 91 3.117 1.835 9.783 1.00 0.00 H new ATOM 0 HE1 HIS A 91 3.618 -0.806 6.484 1.00 0.00 H new ATOM 721 N ALA A 92 0.727 4.535 8.569 1.00 0.00 N ATOM 722 CA ALA A 92 -0.511 4.239 9.294 1.00 0.00 C ATOM 723 C ALA A 92 -1.748 4.356 8.391 1.00 0.00 C ATOM 724 O ALA A 92 -2.712 3.609 8.564 1.00 0.00 O ATOM 725 CB ALA A 92 -0.634 5.154 10.512 1.00 0.00 C ATOM 0 H ALA A 92 1.268 5.311 8.950 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.463 3.204 9.632 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.557 4.927 11.046 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.217 4.994 11.175 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.649 6.194 10.186 1.00 0.00 H new ATOM 731 N TYR A 93 -1.740 5.311 7.462 1.00 0.00 N ATOM 732 CA TYR A 93 -2.830 5.528 6.520 1.00 0.00 C ATOM 733 C TYR A 93 -2.853 4.338 5.554 1.00 0.00 C ATOM 734 O TYR A 93 -3.915 3.769 5.315 1.00 0.00 O ATOM 735 CB TYR A 93 -2.674 6.903 5.848 1.00 0.00 C ATOM 736 CG TYR A 93 -3.486 7.111 4.584 1.00 0.00 C ATOM 737 CD1 TYR A 93 -4.871 7.346 4.641 1.00 0.00 C ATOM 738 CD2 TYR A 93 -2.843 7.067 3.337 1.00 0.00 C ATOM 739 CE1 TYR A 93 -5.605 7.523 3.455 1.00 0.00 C ATOM 740 CE2 TYR A 93 -3.573 7.208 2.144 1.00 0.00 C ATOM 741 CZ TYR A 93 -4.965 7.432 2.199 1.00 0.00 C ATOM 742 OH TYR A 93 -5.686 7.570 1.053 1.00 0.00 O ATOM 0 H TYR A 93 -0.965 5.963 7.343 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.803 5.565 7.010 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.952 7.673 6.568 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.621 7.054 5.611 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.372 7.391 5.597 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.774 6.923 3.294 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.664 7.730 3.504 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -3.071 7.145 1.190 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.091 7.481 0.279 1.00 0.00 H new ATOM 752 N TYR A 94 -1.688 3.900 5.056 1.00 0.00 N ATOM 753 CA TYR A 94 -1.584 2.761 4.151 1.00 0.00 C ATOM 754 C TYR A 94 -2.204 1.528 4.812 1.00 0.00 C ATOM 755 O TYR A 94 -2.980 0.804 4.182 1.00 0.00 O ATOM 756 CB TYR A 94 -0.117 2.489 3.751 1.00 0.00 C ATOM 757 CG TYR A 94 0.048 1.199 2.964 1.00 0.00 C ATOM 758 CD1 TYR A 94 -0.105 1.164 1.566 1.00 0.00 C ATOM 759 CD2 TYR A 94 0.275 -0.001 3.660 1.00 0.00 C ATOM 760 CE1 TYR A 94 -0.097 -0.058 0.880 1.00 0.00 C ATOM 761 CE2 TYR A 94 0.281 -1.229 2.981 1.00 0.00 C ATOM 762 CZ TYR A 94 0.085 -1.261 1.588 1.00 0.00 C ATOM 763 OH TYR A 94 0.088 -2.445 0.928 1.00 0.00 O ATOM 0 H TYR A 94 -0.790 4.332 5.275 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.130 2.993 3.236 1.00 0.00 H new ATOM 0 HB2 TYR A 94 0.253 3.323 3.155 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.498 2.442 4.650 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.230 2.086 1.017 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.446 0.022 4.726 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.230 -0.077 -0.192 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.436 -2.148 3.527 1.00 0.00 H new ATOM 0 HH TYR A 94 0.227 -3.175 1.567 1.00 0.00 H new ATOM 773 N ARG A 95 -1.865 1.292 6.085 1.00 0.00 N ATOM 774 CA ARG A 95 -2.382 0.158 6.860 1.00 0.00 C ATOM 775 C ARG A 95 -3.911 0.217 6.858 1.00 0.00 C ATOM 776 O ARG A 95 -4.556 -0.792 6.572 1.00 0.00 O ATOM 777 CB ARG A 95 -1.836 0.141 8.304 1.00 0.00 C ATOM 778 CG ARG A 95 -0.317 -0.057 8.453 1.00 0.00 C ATOM 779 CD ARG A 95 0.186 -1.452 8.055 1.00 0.00 C ATOM 780 NE ARG A 95 -0.251 -2.509 8.987 1.00 0.00 N ATOM 781 CZ ARG A 95 -0.034 -3.820 8.813 1.00 0.00 C ATOM 782 NH1 ARG A 95 0.647 -4.275 7.773 1.00 0.00 N ATOM 783 NH2 ARG A 95 -0.482 -4.709 9.684 1.00 0.00 N ATOM 0 H ARG A 95 -1.221 1.885 6.609 1.00 0.00 H new ATOM 0 HA ARG A 95 -2.043 -0.766 6.391 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.108 1.081 8.784 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.341 -0.655 8.852 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.195 0.687 7.843 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.039 0.134 9.489 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.171 -1.689 7.053 1.00 0.00 H new ATOM 0 HD3 ARG A 95 1.275 -1.441 8.011 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.755 -2.221 9.825 1.00 0.00 H new ATOM 0 HH11 ARG A 95 1.020 -3.623 7.083 1.00 0.00 H new ATOM 0 HH12 ARG A 95 0.799 -5.277 7.662 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.003 -4.401 10.505 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -0.307 -5.703 9.534 1.00 0.00 H new ATOM 797 N HIS A 96 -4.485 1.391 7.145 1.00 0.00 N ATOM 798 CA HIS A 96 -5.927 1.574 7.160 1.00 0.00 C ATOM 799 C HIS A 96 -6.520 1.196 5.813 1.00 0.00 C ATOM 800 O HIS A 96 -7.487 0.434 5.797 1.00 0.00 O ATOM 801 CB HIS A 96 -6.294 3.017 7.570 1.00 0.00 C ATOM 802 CG HIS A 96 -7.778 3.306 7.598 1.00 0.00 C ATOM 803 ND1 HIS A 96 -8.605 3.429 6.510 1.00 0.00 N flip ATOM 804 CD2 HIS A 96 -8.547 3.508 8.725 1.00 0.00 C flip ATOM 805 CE1 HIS A 96 -9.902 3.636 6.991 1.00 0.00 C flip ATOM 806 NE2 HIS A 96 -9.819 3.696 8.330 1.00 0.00 N flip ATOM 0 H HIS A 96 -3.958 2.234 7.372 1.00 0.00 H new ATOM 0 HA HIS A 96 -6.359 0.910 7.909 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -5.880 3.216 8.558 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -5.815 3.710 6.878 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -8.191 3.514 9.745 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -10.800 3.730 6.398 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -10.607 3.860 8.957 1.00 0.00 H new ATOM 814 N LYS A 97 -5.970 1.688 4.700 1.00 0.00 N ATOM 815 CA LYS A 97 -6.499 1.366 3.380 1.00 0.00 C ATOM 816 C LYS A 97 -6.529 -0.136 3.147 1.00 0.00 C ATOM 817 O LYS A 97 -7.530 -0.605 2.628 1.00 0.00 O ATOM 818 CB LYS A 97 -5.674 2.024 2.279 1.00 0.00 C ATOM 819 CG LYS A 97 -5.621 3.558 2.298 1.00 0.00 C ATOM 820 CD LYS A 97 -7.003 4.201 2.373 1.00 0.00 C ATOM 821 CE LYS A 97 -7.839 3.847 1.146 1.00 0.00 C ATOM 822 NZ LYS A 97 -9.124 4.562 1.172 1.00 0.00 N ATOM 0 H LYS A 97 -5.161 2.309 4.690 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.517 1.753 3.345 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.654 1.645 2.342 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.073 1.707 1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.027 3.885 3.152 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.111 3.910 1.401 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.515 3.866 3.275 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -6.901 5.284 2.448 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.291 4.105 0.239 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.015 2.772 1.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -9.635 4.389 0.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.695 4.221 1.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.952 5.582 1.279 1.00 0.00 H new ATOM 836 N VAL A 98 -5.485 -0.894 3.502 1.00 0.00 N ATOM 837 CA VAL A 98 -5.475 -2.348 3.298 1.00 0.00 C ATOM 838 C VAL A 98 -6.724 -2.938 3.933 1.00 0.00 C ATOM 839 O VAL A 98 -7.518 -3.577 3.248 1.00 0.00 O ATOM 840 CB VAL A 98 -4.188 -2.978 3.860 1.00 0.00 C ATOM 841 CG1 VAL A 98 -4.207 -4.519 3.833 1.00 0.00 C ATOM 842 CG2 VAL A 98 -3.006 -2.499 3.012 1.00 0.00 C ATOM 0 H VAL A 98 -4.637 -0.525 3.932 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.484 -2.571 2.231 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.103 -2.669 4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.272 -4.902 4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.041 -4.883 4.432 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.321 -4.864 2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.083 -2.935 3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -3.152 -2.809 1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.941 -1.412 3.060 1.00 0.00 H new ATOM 852 N SER A 99 -6.904 -2.692 5.226 1.00 0.00 N ATOM 853 CA SER A 99 -8.046 -3.170 5.973 1.00 0.00 C ATOM 854 C SER A 99 -9.364 -2.736 5.297 1.00 0.00 C ATOM 855 O SER A 99 -10.279 -3.545 5.174 1.00 0.00 O ATOM 856 CB SER A 99 -7.884 -2.634 7.401 1.00 0.00 C ATOM 857 OG SER A 99 -6.869 -3.353 8.091 1.00 0.00 O ATOM 0 H SER A 99 -6.248 -2.147 5.786 1.00 0.00 H new ATOM 0 HA SER A 99 -8.093 -4.259 6.000 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.631 -1.574 7.371 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.829 -2.721 7.938 1.00 0.00 H new ATOM 0 HG SER A 99 -6.777 -2.998 9.000 1.00 0.00 H new ATOM 863 N GLU A 100 -9.452 -1.500 4.807 1.00 0.00 N ATOM 864 CA GLU A 100 -10.611 -0.910 4.138 1.00 0.00 C ATOM 865 C GLU A 100 -10.956 -1.645 2.840 1.00 0.00 C ATOM 866 O GLU A 100 -12.114 -2.022 2.616 1.00 0.00 O ATOM 867 CB GLU A 100 -10.283 0.562 3.839 1.00 0.00 C ATOM 868 CG GLU A 100 -11.362 1.539 4.317 1.00 0.00 C ATOM 869 CD GLU A 100 -11.134 2.987 3.863 1.00 0.00 C ATOM 870 OE1 GLU A 100 -10.019 3.323 3.418 1.00 0.00 O ATOM 871 OE2 GLU A 100 -12.077 3.818 3.922 1.00 0.00 O ATOM 0 H GLU A 100 -8.672 -0.846 4.870 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.481 -0.992 4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.336 0.818 4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.144 0.684 2.765 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.332 1.202 3.951 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.406 1.512 5.406 1.00 0.00 H new ATOM 878 N PHE A 101 -9.963 -1.835 1.963 1.00 0.00 N ATOM 879 CA PHE A 101 -10.145 -2.525 0.701 1.00 0.00 C ATOM 880 C PHE A 101 -10.525 -3.977 0.962 1.00 0.00 C ATOM 881 O PHE A 101 -11.313 -4.552 0.213 1.00 0.00 O ATOM 882 CB PHE A 101 -8.882 -2.419 -0.170 1.00 0.00 C ATOM 883 CG PHE A 101 -8.759 -1.169 -1.029 1.00 0.00 C ATOM 884 CD1 PHE A 101 -9.298 -1.154 -2.331 1.00 0.00 C ATOM 885 CD2 PHE A 101 -8.004 -0.064 -0.591 1.00 0.00 C ATOM 886 CE1 PHE A 101 -9.062 -0.058 -3.181 1.00 0.00 C ATOM 887 CE2 PHE A 101 -7.788 1.035 -1.436 1.00 0.00 C ATOM 888 CZ PHE A 101 -8.324 1.047 -2.729 1.00 0.00 C ATOM 0 H PHE A 101 -9.009 -1.509 2.119 1.00 0.00 H new ATOM 0 HA PHE A 101 -10.956 -2.050 0.148 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.011 -2.473 0.483 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.844 -3.289 -0.825 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.894 -1.986 -2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.587 -0.062 0.405 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.451 -0.067 -4.188 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.206 1.875 -1.087 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.171 1.900 -3.374 1.00 0.00 H new ATOM 898 N LYS A 102 -9.996 -4.568 2.034 1.00 0.00 N ATOM 899 CA LYS A 102 -10.302 -5.953 2.391 1.00 0.00 C ATOM 900 C LYS A 102 -11.733 -6.086 2.861 1.00 0.00 C ATOM 901 O LYS A 102 -12.373 -7.103 2.593 1.00 0.00 O ATOM 902 CB LYS A 102 -9.364 -6.409 3.494 1.00 0.00 C ATOM 903 CG LYS A 102 -8.037 -6.798 2.872 1.00 0.00 C ATOM 904 CD LYS A 102 -7.035 -7.293 3.903 1.00 0.00 C ATOM 905 CE LYS A 102 -6.748 -8.803 3.947 1.00 0.00 C ATOM 906 NZ LYS A 102 -6.932 -9.548 2.673 1.00 0.00 N ATOM 0 H LYS A 102 -9.350 -4.105 2.673 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.169 -6.576 1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.221 -5.611 4.222 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.793 -7.256 4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.202 -7.577 2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -7.619 -5.939 2.347 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.091 -6.776 3.730 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.388 -6.989 4.888 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.720 -8.946 4.281 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -7.394 -9.252 4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -6.302 -10.375 2.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -7.920 -9.864 2.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -6.703 -8.926 1.871 1.00 0.00 H new ATOM 920 N GLU A 103 -12.241 -5.090 3.582 1.00 0.00 N ATOM 921 CA GLU A 103 -13.623 -5.136 4.037 1.00 0.00 C ATOM 922 C GLU A 103 -14.558 -4.956 2.838 1.00 0.00 C ATOM 923 O GLU A 103 -15.737 -5.286 2.941 1.00 0.00 O ATOM 924 CB GLU A 103 -13.920 -4.036 5.058 1.00 0.00 C ATOM 925 CG GLU A 103 -13.040 -4.123 6.305 1.00 0.00 C ATOM 926 CD GLU A 103 -13.812 -4.171 7.617 1.00 0.00 C ATOM 927 OE1 GLU A 103 -14.175 -5.291 8.038 1.00 0.00 O ATOM 928 OE2 GLU A 103 -13.876 -3.116 8.285 1.00 0.00 O ATOM 0 H GLU A 103 -11.725 -4.255 3.859 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.784 -6.103 4.514 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -13.778 -3.063 4.587 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -14.967 -4.097 5.354 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -12.415 -5.013 6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.370 -3.263 6.323 1.00 0.00 H new ATOM 935 N GLY A 104 -14.034 -4.442 1.718 1.00 0.00 N ATOM 936 CA GLY A 104 -14.762 -4.199 0.486 1.00 0.00 C ATOM 937 C GLY A 104 -15.576 -2.919 0.590 1.00 0.00 C ATOM 938 O GLY A 104 -16.660 -2.837 0.014 1.00 0.00 O ATOM 0 H GLY A 104 -13.051 -4.177 1.652 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.063 -4.125 -0.347 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.422 -5.040 0.275 1.00 0.00 H new ATOM 942 N LYS A 105 -15.092 -1.919 1.337 1.00 0.00 N ATOM 943 CA LYS A 105 -15.809 -0.655 1.511 1.00 0.00 C ATOM 944 C LYS A 105 -15.044 0.572 1.046 1.00 0.00 C ATOM 945 O LYS A 105 -15.658 1.633 0.943 1.00 0.00 O ATOM 946 CB LYS A 105 -16.219 -0.505 2.982 1.00 0.00 C ATOM 947 CG LYS A 105 -15.092 0.056 3.863 1.00 0.00 C ATOM 948 CD LYS A 105 -15.519 0.188 5.319 1.00 0.00 C ATOM 949 CE LYS A 105 -15.341 -1.146 6.044 1.00 0.00 C ATOM 950 NZ LYS A 105 -15.407 -1.016 7.507 1.00 0.00 N ATOM 0 H LYS A 105 -14.201 -1.964 1.832 1.00 0.00 H new ATOM 0 HA LYS A 105 -16.686 -0.706 0.866 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -17.086 0.153 3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -16.526 -1.476 3.369 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.222 -0.597 3.798 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.787 1.032 3.485 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -14.927 0.959 5.811 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -16.561 0.503 5.373 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -16.112 -1.840 5.711 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.380 -1.579 5.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.082 -1.899 7.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.798 -0.231 7.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.388 -0.826 7.795 1.00 0.00 H new ATOM 964 N ALA A 106 -13.733 0.457 0.831 1.00 0.00 N ATOM 965 CA ALA A 106 -12.945 1.599 0.404 1.00 0.00 C ATOM 966 C ALA A 106 -13.475 2.161 -0.905 1.00 0.00 C ATOM 967 O ALA A 106 -13.985 1.421 -1.752 1.00 0.00 O ATOM 968 CB ALA A 106 -11.480 1.238 0.209 1.00 0.00 C ATOM 0 H ALA A 106 -13.205 -0.408 0.946 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.026 2.344 1.196 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -10.927 2.121 -0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -11.067 0.872 1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.395 0.462 -0.552 1.00 0.00 H new ATOM 974 N GLN A 107 -13.298 3.460 -1.079 1.00 0.00 N ATOM 975 CA GLN A 107 -13.738 4.178 -2.256 1.00 0.00 C ATOM 976 C GLN A 107 -12.585 4.129 -3.254 1.00 0.00 C ATOM 977 O GLN A 107 -11.832 5.092 -3.429 1.00 0.00 O ATOM 978 CB GLN A 107 -14.175 5.584 -1.845 1.00 0.00 C ATOM 979 CG GLN A 107 -15.151 5.615 -0.664 1.00 0.00 C ATOM 980 CD GLN A 107 -16.476 4.885 -0.899 1.00 0.00 C ATOM 981 OE1 GLN A 107 -16.911 4.613 -2.015 1.00 0.00 O ATOM 982 NE2 GLN A 107 -17.175 4.565 0.175 1.00 0.00 N ATOM 0 H GLN A 107 -12.835 4.054 -0.391 1.00 0.00 H new ATOM 0 HA GLN A 107 -14.610 3.737 -2.738 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.291 6.167 -1.587 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -14.641 6.073 -2.701 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.661 5.175 0.205 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -15.365 6.655 -0.417 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -16.816 4.790 1.103 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -18.074 4.093 0.077 1.00 0.00 H new