USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 439 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 45 ASN : amide:sc= -0.278 X(o=-0.28,f=0) USER MOD Single : A 47 THR OG1 : rot 140:sc= -3.88! USER MOD Single : A 51 ASN : amide:sc= -1.76 K(o=-1.8,f=-0.96) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.288 X(o=-0.29,f=-0.027) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -120:sc= -1.75 USER MOD Single : A 76 SER OG : rot -170:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 88 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 39 7.150 0.906 6.255 1.00 0.00 N ATOM 2 CA GLU A 39 6.625 0.295 5.040 1.00 0.00 C ATOM 3 C GLU A 39 5.659 1.233 4.323 1.00 0.00 C ATOM 4 O GLU A 39 5.517 1.175 3.103 1.00 0.00 O ATOM 5 CB GLU A 39 5.922 -1.024 5.370 1.00 0.00 C ATOM 6 CG GLU A 39 4.690 -0.854 6.245 1.00 0.00 C ATOM 7 CD GLU A 39 4.464 -2.035 7.170 1.00 0.00 C ATOM 8 OE1 GLU A 39 4.924 -3.147 6.835 1.00 0.00 O ATOM 9 OE2 GLU A 39 3.830 -1.847 8.228 1.00 0.00 O ATOM 0 HA GLU A 39 7.466 0.097 4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.633 -1.514 4.441 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.627 -1.686 5.874 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.794 0.054 6.839 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.814 -0.721 5.610 1.00 0.00 H new ATOM 16 N ILE A 40 4.999 2.099 5.087 1.00 0.00 N ATOM 17 CA ILE A 40 4.049 3.053 4.521 1.00 0.00 C ATOM 18 C ILE A 40 4.624 4.468 4.567 1.00 0.00 C ATOM 19 O ILE A 40 5.121 4.911 5.602 1.00 0.00 O ATOM 20 CB ILE A 40 2.726 3.007 5.315 1.00 0.00 C ATOM 21 CG1 ILE A 40 1.689 3.963 4.702 1.00 0.00 C ATOM 22 CG2 ILE A 40 2.970 3.326 6.784 1.00 0.00 C ATOM 23 CD1 ILE A 40 1.834 5.411 5.131 1.00 0.00 C ATOM 0 H ILE A 40 5.104 2.160 6.100 1.00 0.00 H new ATOM 0 HA ILE A 40 3.860 2.782 3.482 1.00 0.00 H new ATOM 0 HB ILE A 40 2.323 1.996 5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.763 3.910 3.616 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.691 3.616 4.971 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.025 3.288 7.326 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.660 2.595 7.205 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.400 4.324 6.873 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.062 6.012 4.650 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.728 5.482 6.213 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.817 5.781 4.838 1.00 0.00 H new ATOM 35 N LEU A 41 4.516 5.190 3.453 1.00 0.00 N ATOM 36 CA LEU A 41 5.020 6.557 3.378 1.00 0.00 C ATOM 37 C LEU A 41 3.968 7.468 2.772 1.00 0.00 C ATOM 38 O LEU A 41 3.394 7.148 1.732 1.00 0.00 O ATOM 39 CB LEU A 41 6.265 6.598 2.490 1.00 0.00 C ATOM 40 CG LEU A 41 7.598 6.593 3.244 1.00 0.00 C ATOM 41 CD1 LEU A 41 8.287 5.244 3.107 1.00 0.00 C ATOM 42 CD2 LEU A 41 8.502 7.708 2.737 1.00 0.00 C ATOM 0 H LEU A 41 4.085 4.851 2.593 1.00 0.00 H new ATOM 0 HA LEU A 41 5.264 6.894 4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.242 5.740 1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.220 7.492 1.868 1.00 0.00 H new ATOM 0 HG LEU A 41 7.394 6.768 4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.232 5.261 3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.646 4.465 3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.477 5.038 2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.445 7.689 3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.696 7.564 1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.013 8.670 2.889 1.00 0.00 H new ATOM 54 N ILE A 42 3.745 8.623 3.386 1.00 0.00 N ATOM 55 CA ILE A 42 2.773 9.555 2.846 1.00 0.00 C ATOM 56 C ILE A 42 3.426 10.857 2.388 1.00 0.00 C ATOM 57 O ILE A 42 4.180 11.490 3.127 1.00 0.00 O ATOM 58 CB ILE A 42 1.692 9.883 3.904 1.00 0.00 C ATOM 59 CG1 ILE A 42 2.261 10.792 5.000 1.00 0.00 C ATOM 60 CG2 ILE A 42 1.137 8.603 4.519 1.00 0.00 C ATOM 61 CD1 ILE A 42 1.923 12.255 4.807 1.00 0.00 C ATOM 0 H ILE A 42 4.214 8.929 4.239 1.00 0.00 H new ATOM 0 HA ILE A 42 2.317 9.072 1.982 1.00 0.00 H new ATOM 0 HB ILE A 42 0.880 10.411 3.404 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.880 10.464 5.967 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.345 10.678 5.029 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.379 8.855 5.260 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.691 7.988 3.738 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.944 8.050 4.999 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.357 12.839 5.618 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.328 12.599 3.855 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.840 12.382 4.808 1.00 0.00 H new ATOM 73 N GLU A 43 3.087 11.260 1.172 1.00 0.00 N ATOM 74 CA GLU A 43 3.591 12.494 0.585 1.00 0.00 C ATOM 75 C GLU A 43 2.417 13.215 -0.061 1.00 0.00 C ATOM 76 O GLU A 43 1.634 12.588 -0.765 1.00 0.00 O ATOM 77 CB GLU A 43 4.617 12.150 -0.498 1.00 0.00 C ATOM 78 CG GLU A 43 6.048 12.488 -0.110 1.00 0.00 C ATOM 79 CD GLU A 43 7.032 11.410 -0.517 1.00 0.00 C ATOM 80 OE1 GLU A 43 6.995 10.984 -1.690 1.00 0.00 O ATOM 81 OE2 GLU A 43 7.841 10.992 0.338 1.00 0.00 O ATOM 0 H GLU A 43 2.454 10.740 0.564 1.00 0.00 H new ATOM 0 HA GLU A 43 4.058 13.119 1.346 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.552 11.085 -0.723 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.361 12.685 -1.412 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.334 13.431 -0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.103 12.636 0.968 1.00 0.00 H new ATOM 88 N GLY A 44 2.314 14.522 0.112 1.00 0.00 N ATOM 89 CA GLY A 44 1.221 15.252 -0.514 1.00 0.00 C ATOM 90 C GLY A 44 -0.145 14.643 -0.211 1.00 0.00 C ATOM 91 O GLY A 44 -0.771 14.988 0.791 1.00 0.00 O ATOM 0 H GLY A 44 2.956 15.089 0.666 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.237 16.286 -0.171 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.374 15.272 -1.593 1.00 0.00 H new ATOM 95 N ASN A 45 -0.615 13.741 -1.083 1.00 0.00 N ATOM 96 CA ASN A 45 -1.922 13.100 -0.894 1.00 0.00 C ATOM 97 C ASN A 45 -1.909 11.602 -1.251 1.00 0.00 C ATOM 98 O ASN A 45 -2.891 10.898 -1.015 1.00 0.00 O ATOM 99 CB ASN A 45 -2.982 13.815 -1.733 1.00 0.00 C ATOM 100 CG ASN A 45 -2.533 14.036 -3.165 1.00 0.00 C ATOM 101 OD1 ASN A 45 -2.169 15.147 -3.550 1.00 0.00 O ATOM 102 ND2 ASN A 45 -2.558 12.974 -3.962 1.00 0.00 N ATOM 0 H ASN A 45 -0.114 13.441 -1.919 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.162 13.180 0.166 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.901 13.229 -1.729 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.216 14.776 -1.276 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.268 13.060 -4.936 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.867 12.072 -3.600 1.00 0.00 H new ATOM 109 N ARG A 46 -0.801 11.123 -1.808 1.00 0.00 N ATOM 110 CA ARG A 46 -0.661 9.719 -2.187 1.00 0.00 C ATOM 111 C ARG A 46 0.355 9.026 -1.277 1.00 0.00 C ATOM 112 O ARG A 46 1.439 9.559 -1.022 1.00 0.00 O ATOM 113 CB ARG A 46 -0.176 9.657 -3.637 1.00 0.00 C ATOM 114 CG ARG A 46 1.117 10.419 -3.880 1.00 0.00 C ATOM 115 CD ARG A 46 0.892 11.641 -4.757 1.00 0.00 C ATOM 116 NE ARG A 46 0.555 11.275 -6.130 1.00 0.00 N ATOM 117 CZ ARG A 46 0.109 12.137 -7.039 1.00 0.00 C ATOM 118 NH1 ARG A 46 -0.056 13.417 -6.726 1.00 0.00 N ATOM 119 NH2 ARG A 46 -0.173 11.721 -8.266 1.00 0.00 N ATOM 0 H ARG A 46 0.021 11.692 -2.009 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.621 9.212 -2.086 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.032 8.614 -3.919 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.952 10.058 -4.288 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.542 10.729 -2.925 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.845 9.760 -4.354 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.089 12.247 -4.336 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.791 12.258 -4.756 1.00 0.00 H new ATOM 0 HE ARG A 46 0.668 10.300 -6.408 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.160 13.744 -5.784 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.398 14.074 -7.428 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.048 10.739 -8.513 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.515 12.383 -8.963 1.00 0.00 H new ATOM 133 N THR A 47 0.040 7.801 -0.857 1.00 0.00 N ATOM 134 CA THR A 47 0.946 7.019 -0.024 1.00 0.00 C ATOM 135 C THR A 47 1.255 5.693 -0.702 1.00 0.00 C ATOM 136 O THR A 47 0.358 5.009 -1.183 1.00 0.00 O ATOM 137 CB THR A 47 0.276 6.753 1.323 1.00 0.00 C ATOM 138 OG1 THR A 47 0.011 7.964 2.011 1.00 0.00 O ATOM 139 CG2 THR A 47 1.090 5.868 2.241 1.00 0.00 C ATOM 0 H THR A 47 -0.837 7.331 -1.081 1.00 0.00 H new ATOM 0 HA THR A 47 1.874 7.571 0.123 1.00 0.00 H new ATOM 0 HB THR A 47 -0.650 6.233 1.076 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.866 7.908 2.445 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.552 5.723 3.178 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.254 4.902 1.764 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.051 6.341 2.444 1.00 0.00 H new ATOM 147 N ILE A 48 2.514 5.296 -0.652 1.00 0.00 N ATOM 148 CA ILE A 48 2.937 4.017 -1.218 1.00 0.00 C ATOM 149 C ILE A 48 3.413 3.095 -0.107 1.00 0.00 C ATOM 150 O ILE A 48 4.190 3.508 0.756 1.00 0.00 O ATOM 151 CB ILE A 48 4.100 4.245 -2.204 1.00 0.00 C ATOM 152 CG1 ILE A 48 3.769 5.386 -3.172 1.00 0.00 C ATOM 153 CG2 ILE A 48 4.408 2.962 -2.967 1.00 0.00 C ATOM 154 CD1 ILE A 48 4.648 6.604 -2.992 1.00 0.00 C ATOM 0 H ILE A 48 3.266 5.838 -0.226 1.00 0.00 H new ATOM 0 HA ILE A 48 2.092 3.565 -1.738 1.00 0.00 H new ATOM 0 HB ILE A 48 4.986 4.528 -1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.868 5.024 -4.195 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.727 5.676 -3.036 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.231 3.139 -3.659 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.688 2.178 -2.263 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.525 2.650 -3.525 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.358 7.371 -3.710 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.531 6.991 -1.980 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.690 6.329 -3.157 1.00 0.00 H new ATOM 166 N ILE A 49 3.023 1.825 -0.164 1.00 0.00 N ATOM 167 CA ILE A 49 3.473 0.869 0.834 1.00 0.00 C ATOM 168 C ILE A 49 4.086 -0.361 0.187 1.00 0.00 C ATOM 169 O ILE A 49 3.530 -0.944 -0.741 1.00 0.00 O ATOM 170 CB ILE A 49 2.335 0.447 1.784 1.00 0.00 C ATOM 171 CG1 ILE A 49 2.840 -0.560 2.820 1.00 0.00 C ATOM 172 CG2 ILE A 49 1.173 -0.132 1.000 1.00 0.00 C ATOM 173 CD1 ILE A 49 1.912 -0.728 4.004 1.00 0.00 C ATOM 0 H ILE A 49 2.406 1.441 -0.880 1.00 0.00 H new ATOM 0 HA ILE A 49 4.238 1.375 1.423 1.00 0.00 H new ATOM 0 HB ILE A 49 1.985 1.334 2.312 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.978 -1.527 2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.818 -0.240 3.178 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.380 -0.424 1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.793 0.617 0.305 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.510 -1.006 0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.334 -1.456 4.697 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.793 0.229 4.512 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.940 -1.078 3.657 1.00 0.00 H new ATOM 185 N ARG A 50 5.247 -0.738 0.700 1.00 0.00 N ATOM 186 CA ARG A 50 5.971 -1.895 0.196 1.00 0.00 C ATOM 187 C ARG A 50 5.315 -3.185 0.667 1.00 0.00 C ATOM 188 O ARG A 50 5.868 -3.912 1.492 1.00 0.00 O ATOM 189 CB ARG A 50 7.430 -1.851 0.654 1.00 0.00 C ATOM 190 CG ARG A 50 8.269 -0.823 -0.087 1.00 0.00 C ATOM 191 CD ARG A 50 9.756 -1.073 0.108 1.00 0.00 C ATOM 192 NE ARG A 50 10.565 -0.335 -0.860 1.00 0.00 N ATOM 193 CZ ARG A 50 10.610 -0.621 -2.159 1.00 0.00 C ATOM 194 NH1 ARG A 50 9.899 -1.629 -2.648 1.00 0.00 N ATOM 195 NH2 ARG A 50 11.370 0.102 -2.970 1.00 0.00 N ATOM 0 H ARG A 50 5.711 -0.256 1.470 1.00 0.00 H new ATOM 0 HA ARG A 50 5.942 -1.868 -0.893 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.461 -1.632 1.721 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.875 -2.837 0.518 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.030 -0.855 -1.150 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.018 0.177 0.267 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.044 -0.782 1.118 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.960 -2.140 0.013 1.00 0.00 H new ATOM 0 HE ARG A 50 11.128 0.445 -0.520 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.314 -2.189 -2.028 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.937 -1.844 -3.644 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.920 0.877 -2.598 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.405 -0.117 -3.966 1.00 0.00 H new ATOM 209 N ASN A 51 4.128 -3.464 0.140 1.00 0.00 N ATOM 210 CA ASN A 51 3.400 -4.667 0.512 1.00 0.00 C ATOM 211 C ASN A 51 3.608 -5.771 -0.513 1.00 0.00 C ATOM 212 O ASN A 51 2.725 -6.598 -0.742 1.00 0.00 O ATOM 213 CB ASN A 51 1.910 -4.364 0.666 1.00 0.00 C ATOM 214 CG ASN A 51 1.247 -5.242 1.710 1.00 0.00 C ATOM 215 OD1 ASN A 51 1.679 -5.291 2.862 1.00 0.00 O ATOM 216 ND2 ASN A 51 0.192 -5.943 1.311 1.00 0.00 N ATOM 0 H ASN A 51 3.653 -2.875 -0.543 1.00 0.00 H new ATOM 0 HA ASN A 51 3.790 -5.013 1.469 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.781 -3.317 0.941 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.412 -4.505 -0.293 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.294 -6.552 1.969 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.132 -5.872 0.346 1.00 0.00 H new ATOM 223 N PHE A 52 4.772 -5.759 -1.147 1.00 0.00 N ATOM 224 CA PHE A 52 5.094 -6.742 -2.177 1.00 0.00 C ATOM 225 C PHE A 52 4.705 -8.172 -1.807 1.00 0.00 C ATOM 226 O PHE A 52 4.171 -8.873 -2.649 1.00 0.00 O ATOM 227 CB PHE A 52 6.575 -6.725 -2.564 1.00 0.00 C ATOM 228 CG PHE A 52 6.817 -7.248 -3.965 1.00 0.00 C ATOM 229 CD1 PHE A 52 5.766 -7.757 -4.727 1.00 0.00 C ATOM 230 CD2 PHE A 52 8.085 -7.232 -4.522 1.00 0.00 C ATOM 231 CE1 PHE A 52 5.974 -8.236 -6.003 1.00 0.00 C ATOM 232 CE2 PHE A 52 8.301 -7.711 -5.804 1.00 0.00 C ATOM 233 CZ PHE A 52 7.245 -8.213 -6.544 1.00 0.00 C ATOM 0 H PHE A 52 5.511 -5.079 -0.967 1.00 0.00 H new ATOM 0 HA PHE A 52 4.490 -6.433 -3.030 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.954 -5.706 -2.490 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.140 -7.328 -1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.770 -7.776 -4.310 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.914 -6.842 -3.951 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.147 -8.627 -6.577 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.295 -7.693 -6.226 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.414 -8.586 -7.543 1.00 0.00 H new ATOM 243 N ARG A 53 4.974 -8.640 -0.591 1.00 0.00 N ATOM 244 CA ARG A 53 4.621 -10.030 -0.233 1.00 0.00 C ATOM 245 C ARG A 53 3.208 -10.381 -0.730 1.00 0.00 C ATOM 246 O ARG A 53 3.024 -11.127 -1.710 1.00 0.00 O ATOM 247 CB ARG A 53 4.707 -10.224 1.283 1.00 0.00 C ATOM 248 CG ARG A 53 5.644 -11.348 1.700 1.00 0.00 C ATOM 249 CD ARG A 53 6.826 -10.825 2.501 1.00 0.00 C ATOM 250 NE ARG A 53 7.753 -10.059 1.671 1.00 0.00 N ATOM 251 CZ ARG A 53 8.711 -9.274 2.159 1.00 0.00 C ATOM 252 NH1 ARG A 53 8.871 -9.149 3.472 1.00 0.00 N ATOM 253 NH2 ARG A 53 9.513 -8.614 1.335 1.00 0.00 N ATOM 0 H ARG A 53 5.422 -8.103 0.151 1.00 0.00 H new ATOM 0 HA ARG A 53 5.333 -10.698 -0.718 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.042 -9.294 1.742 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.710 -10.430 1.672 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.095 -12.078 2.295 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.006 -11.868 0.813 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.463 -10.196 3.314 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.354 -11.662 2.957 1.00 0.00 H new ATOM 0 HE ARG A 53 7.661 -10.130 0.658 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.258 -9.656 4.111 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.607 -8.546 3.841 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.396 -8.707 0.326 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.247 -8.013 1.710 1.00 0.00 H new ATOM 267 N GLU A 54 2.217 -9.793 -0.069 1.00 0.00 N ATOM 268 CA GLU A 54 0.828 -9.982 -0.446 1.00 0.00 C ATOM 269 C GLU A 54 0.695 -9.748 -1.940 1.00 0.00 C ATOM 270 O GLU A 54 0.072 -10.529 -2.659 1.00 0.00 O ATOM 271 CB GLU A 54 -0.078 -9.021 0.325 1.00 0.00 C ATOM 272 CG GLU A 54 -0.558 -9.574 1.658 1.00 0.00 C ATOM 273 CD GLU A 54 -2.070 -9.591 1.773 1.00 0.00 C ATOM 274 OE1 GLU A 54 -2.723 -10.232 0.923 1.00 0.00 O ATOM 275 OE2 GLU A 54 -2.601 -8.964 2.714 1.00 0.00 O ATOM 0 H GLU A 54 2.355 -9.179 0.734 1.00 0.00 H new ATOM 0 HA GLU A 54 0.520 -10.998 -0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.460 -8.089 0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.944 -8.778 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.176 -10.587 1.785 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.143 -8.973 2.467 1.00 0.00 H new ATOM 282 N LEU A 55 1.296 -8.652 -2.392 1.00 0.00 N ATOM 283 CA LEU A 55 1.268 -8.277 -3.795 1.00 0.00 C ATOM 284 C LEU A 55 1.637 -9.450 -4.698 1.00 0.00 C ATOM 285 O LEU A 55 0.928 -9.717 -5.649 1.00 0.00 O ATOM 286 CB LEU A 55 2.214 -7.108 -4.058 1.00 0.00 C ATOM 287 CG LEU A 55 1.618 -5.982 -4.902 1.00 0.00 C ATOM 288 CD1 LEU A 55 0.937 -4.959 -4.011 1.00 0.00 C ATOM 289 CD2 LEU A 55 2.697 -5.326 -5.752 1.00 0.00 C ATOM 0 H LEU A 55 1.813 -8.004 -1.797 1.00 0.00 H new ATOM 0 HA LEU A 55 0.247 -7.974 -4.029 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.535 -6.696 -3.101 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.106 -7.485 -4.558 1.00 0.00 H new ATOM 0 HG LEU A 55 0.869 -6.406 -5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.517 -4.163 -4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.139 -5.442 -3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.666 -4.537 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.256 -4.526 -6.347 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.469 -4.912 -5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.140 -6.069 -6.415 1.00 0.00 H new ATOM 301 N ALA A 56 2.728 -10.152 -4.416 1.00 0.00 N ATOM 302 CA ALA A 56 3.142 -11.288 -5.230 1.00 0.00 C ATOM 303 C ALA A 56 1.978 -12.243 -5.417 1.00 0.00 C ATOM 304 O ALA A 56 1.609 -12.595 -6.547 1.00 0.00 O ATOM 305 CB ALA A 56 4.323 -12.002 -4.586 1.00 0.00 C ATOM 0 H ALA A 56 3.344 -9.954 -3.627 1.00 0.00 H new ATOM 0 HA ALA A 56 3.456 -10.924 -6.208 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.619 -12.848 -5.207 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.160 -11.310 -4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.036 -12.360 -3.597 1.00 0.00 H new ATOM 311 N LYS A 57 1.370 -12.639 -4.306 1.00 0.00 N ATOM 312 CA LYS A 57 0.214 -13.526 -4.387 1.00 0.00 C ATOM 313 C LYS A 57 -0.863 -12.855 -5.242 1.00 0.00 C ATOM 314 O LYS A 57 -1.418 -13.440 -6.188 1.00 0.00 O ATOM 315 CB LYS A 57 -0.330 -13.836 -2.991 1.00 0.00 C ATOM 316 CG LYS A 57 -0.663 -15.304 -2.782 1.00 0.00 C ATOM 317 CD LYS A 57 -0.509 -15.710 -1.326 1.00 0.00 C ATOM 318 CE LYS A 57 -1.078 -17.095 -1.070 1.00 0.00 C ATOM 319 NZ LYS A 57 -0.809 -17.560 0.319 1.00 0.00 N ATOM 0 H LYS A 57 1.647 -12.370 -3.362 1.00 0.00 H new ATOM 0 HA LYS A 57 0.513 -14.469 -4.844 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.405 -13.529 -2.247 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.226 -13.240 -2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.685 -15.496 -3.108 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.010 -15.918 -3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.546 -15.693 -1.052 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.015 -14.984 -0.690 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.154 -17.084 -1.247 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.646 -17.801 -1.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.214 -18.509 0.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.218 -17.596 0.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.243 -16.901 0.996 1.00 0.00 H new ATOM 333 N ALA A 58 -1.134 -11.606 -4.901 1.00 0.00 N ATOM 334 CA ALA A 58 -2.118 -10.811 -5.608 1.00 0.00 C ATOM 335 C ALA A 58 -1.880 -10.820 -7.116 1.00 0.00 C ATOM 336 O ALA A 58 -2.811 -11.046 -7.886 1.00 0.00 O ATOM 337 CB ALA A 58 -2.111 -9.384 -5.082 1.00 0.00 C ATOM 0 H ALA A 58 -0.679 -11.118 -4.129 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.096 -11.258 -5.429 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.854 -8.794 -5.620 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.350 -9.387 -4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.124 -8.946 -5.230 1.00 0.00 H new ATOM 343 N VAL A 59 -0.651 -10.552 -7.554 1.00 0.00 N ATOM 344 CA VAL A 59 -0.357 -10.509 -8.977 1.00 0.00 C ATOM 345 C VAL A 59 -0.874 -11.733 -9.672 1.00 0.00 C ATOM 346 O VAL A 59 -1.624 -11.571 -10.633 1.00 0.00 O ATOM 347 CB VAL A 59 1.125 -10.234 -9.347 1.00 0.00 C ATOM 348 CG1 VAL A 59 2.013 -10.048 -8.122 1.00 0.00 C ATOM 349 CG2 VAL A 59 1.693 -11.320 -10.255 1.00 0.00 C ATOM 0 H VAL A 59 0.147 -10.364 -6.947 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.892 -9.632 -9.340 1.00 0.00 H new ATOM 0 HB VAL A 59 1.125 -9.292 -9.895 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.038 -9.859 -8.441 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.653 -9.202 -7.537 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.984 -10.950 -7.511 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.732 -11.090 -10.491 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.640 -12.283 -9.747 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.113 -11.364 -11.177 1.00 0.00 H new ATOM 359 N ASN A 60 -0.535 -12.914 -9.160 1.00 0.00 N ATOM 360 CA ASN A 60 -1.032 -14.149 -9.746 1.00 0.00 C ATOM 361 C ASN A 60 -2.540 -14.041 -9.949 1.00 0.00 C ATOM 362 O ASN A 60 -3.089 -14.575 -10.912 1.00 0.00 O ATOM 363 CB ASN A 60 -0.704 -15.343 -8.848 1.00 0.00 C ATOM 364 CG ASN A 60 -0.830 -16.667 -9.575 1.00 0.00 C ATOM 365 OD1 ASN A 60 -1.525 -17.574 -9.119 1.00 0.00 O ATOM 366 ND2 ASN A 60 -0.157 -16.783 -10.714 1.00 0.00 N ATOM 0 H ASN A 60 0.074 -13.038 -8.351 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.546 -14.306 -10.709 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.311 -15.238 -8.465 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.372 -15.340 -7.987 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.204 -17.651 -11.248 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.407 -16.004 -11.055 1.00 0.00 H new ATOM 373 N ARG A 61 -3.203 -13.323 -9.040 1.00 0.00 N ATOM 374 CA ARG A 61 -4.652 -13.126 -9.136 1.00 0.00 C ATOM 375 C ARG A 61 -5.007 -11.659 -9.431 1.00 0.00 C ATOM 376 O ARG A 61 -6.063 -11.179 -9.020 1.00 0.00 O ATOM 377 CB ARG A 61 -5.332 -13.572 -7.840 1.00 0.00 C ATOM 378 CG ARG A 61 -5.178 -15.056 -7.552 1.00 0.00 C ATOM 379 CD ARG A 61 -5.612 -15.396 -6.135 1.00 0.00 C ATOM 380 NE ARG A 61 -5.635 -16.838 -5.899 1.00 0.00 N ATOM 381 CZ ARG A 61 -4.549 -17.568 -5.656 1.00 0.00 C ATOM 382 NH1 ARG A 61 -3.350 -16.998 -5.631 1.00 0.00 N ATOM 383 NH2 ARG A 61 -4.661 -18.871 -5.440 1.00 0.00 N ATOM 0 H ARG A 61 -2.766 -12.872 -8.236 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.013 -13.734 -9.966 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.917 -13.004 -7.008 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.393 -13.329 -7.894 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.772 -15.629 -8.263 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.138 -15.350 -7.696 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.933 -14.924 -5.425 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.604 -14.983 -5.951 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.537 -17.313 -5.922 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.258 -15.996 -5.798 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.521 -17.562 -5.444 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.579 -19.314 -5.460 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.829 -19.430 -5.254 1.00 0.00 H new ATOM 397 N ASP A 62 -4.096 -10.947 -10.108 1.00 0.00 N ATOM 398 CA ASP A 62 -4.274 -9.521 -10.427 1.00 0.00 C ATOM 399 C ASP A 62 -3.783 -8.652 -9.283 1.00 0.00 C ATOM 400 O ASP A 62 -4.570 -8.098 -8.515 1.00 0.00 O ATOM 401 CB ASP A 62 -5.734 -9.196 -10.761 1.00 0.00 C ATOM 402 CG ASP A 62 -6.368 -10.233 -11.670 1.00 0.00 C ATOM 403 OD1 ASP A 62 -5.973 -10.307 -12.852 1.00 0.00 O ATOM 404 OD2 ASP A 62 -7.259 -10.970 -11.197 1.00 0.00 O ATOM 0 H ASP A 62 -3.219 -11.339 -10.449 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.676 -9.304 -11.312 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.308 -9.128 -9.837 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.785 -8.218 -11.240 1.00 0.00 H new ATOM 409 N GLU A 63 -2.462 -8.520 -9.207 1.00 0.00 N ATOM 410 CA GLU A 63 -1.820 -7.689 -8.185 1.00 0.00 C ATOM 411 C GLU A 63 -2.406 -6.320 -8.293 1.00 0.00 C ATOM 412 O GLU A 63 -2.765 -5.672 -7.305 1.00 0.00 O ATOM 413 CB GLU A 63 -0.307 -7.571 -8.399 1.00 0.00 C ATOM 414 CG GLU A 63 0.099 -7.275 -9.840 1.00 0.00 C ATOM 415 CD GLU A 63 1.587 -7.010 -9.983 1.00 0.00 C ATOM 416 OE1 GLU A 63 2.221 -6.627 -8.977 1.00 0.00 O ATOM 417 OE2 GLU A 63 2.117 -7.186 -11.099 1.00 0.00 O ATOM 0 H GLU A 63 -1.810 -8.979 -9.843 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.988 -8.147 -7.210 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.079 -6.781 -7.755 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.167 -8.500 -8.083 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.179 -8.118 -10.473 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.457 -6.409 -10.200 1.00 0.00 H new ATOM 424 N GLU A 64 -2.503 -5.906 -9.545 1.00 0.00 N ATOM 425 CA GLU A 64 -3.058 -4.602 -9.863 1.00 0.00 C ATOM 426 C GLU A 64 -4.377 -4.432 -9.126 1.00 0.00 C ATOM 427 O GLU A 64 -4.618 -3.439 -8.420 1.00 0.00 O ATOM 428 CB GLU A 64 -3.263 -4.454 -11.373 1.00 0.00 C ATOM 429 CG GLU A 64 -2.515 -3.279 -11.979 1.00 0.00 C ATOM 430 CD GLU A 64 -3.188 -1.950 -11.695 1.00 0.00 C ATOM 431 OE1 GLU A 64 -4.429 -1.930 -11.554 1.00 0.00 O ATOM 432 OE2 GLU A 64 -2.474 -0.929 -11.614 1.00 0.00 O ATOM 0 H GLU A 64 -2.206 -6.451 -10.354 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.361 -3.826 -9.545 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.941 -5.371 -11.866 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.328 -4.339 -11.577 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.498 -3.259 -11.586 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.437 -3.420 -13.057 1.00 0.00 H new ATOM 439 N PHE A 65 -5.209 -5.448 -9.277 1.00 0.00 N ATOM 440 CA PHE A 65 -6.499 -5.492 -8.632 1.00 0.00 C ATOM 441 C PHE A 65 -6.361 -5.262 -7.136 1.00 0.00 C ATOM 442 O PHE A 65 -7.115 -4.477 -6.560 1.00 0.00 O ATOM 443 CB PHE A 65 -7.185 -6.834 -8.893 1.00 0.00 C ATOM 444 CG PHE A 65 -8.683 -6.735 -8.965 1.00 0.00 C ATOM 445 CD1 PHE A 65 -9.443 -6.669 -7.808 1.00 0.00 C ATOM 446 CD2 PHE A 65 -9.330 -6.709 -10.190 1.00 0.00 C ATOM 447 CE1 PHE A 65 -10.821 -6.578 -7.872 1.00 0.00 C ATOM 448 CE2 PHE A 65 -10.708 -6.618 -10.260 1.00 0.00 C ATOM 449 CZ PHE A 65 -11.454 -6.552 -9.099 1.00 0.00 C ATOM 0 H PHE A 65 -5.004 -6.265 -9.853 1.00 0.00 H new ATOM 0 HA PHE A 65 -7.113 -4.695 -9.052 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.810 -7.249 -9.829 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.912 -7.533 -8.102 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.953 -6.689 -6.846 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.751 -6.760 -11.101 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.402 -6.527 -6.963 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.200 -6.599 -11.221 1.00 0.00 H new ATOM 0 HZ PHE A 65 -12.530 -6.480 -9.151 1.00 0.00 H new ATOM 459 N PHE A 66 -5.428 -5.970 -6.484 1.00 0.00 N ATOM 460 CA PHE A 66 -5.300 -5.810 -5.048 1.00 0.00 C ATOM 461 C PHE A 66 -5.097 -4.353 -4.609 1.00 0.00 C ATOM 462 O PHE A 66 -5.938 -3.823 -3.883 1.00 0.00 O ATOM 463 CB PHE A 66 -4.212 -6.624 -4.359 1.00 0.00 C ATOM 464 CG PHE A 66 -4.164 -6.046 -2.992 1.00 0.00 C ATOM 465 CD1 PHE A 66 -5.234 -6.272 -2.144 1.00 0.00 C ATOM 466 CD2 PHE A 66 -3.213 -5.112 -2.642 1.00 0.00 C ATOM 467 CE1 PHE A 66 -5.336 -5.603 -0.953 1.00 0.00 C ATOM 468 CE2 PHE A 66 -3.335 -4.407 -1.471 1.00 0.00 C ATOM 469 CZ PHE A 66 -4.395 -4.657 -0.627 1.00 0.00 C ATOM 0 H PHE A 66 -4.780 -6.630 -6.915 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.267 -6.198 -4.727 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.457 -7.686 -4.338 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.254 -6.528 -4.870 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.997 -6.983 -2.424 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.369 -4.934 -3.292 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.150 -5.818 -0.276 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.602 -3.658 -1.212 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.487 -4.105 0.297 1.00 0.00 H new ATOM 479 N ALA A 67 -3.969 -3.700 -4.966 1.00 0.00 N ATOM 480 CA ALA A 67 -3.761 -2.339 -4.494 1.00 0.00 C ATOM 481 C ALA A 67 -5.076 -1.595 -4.572 1.00 0.00 C ATOM 482 O ALA A 67 -5.481 -0.945 -3.608 1.00 0.00 O ATOM 483 CB ALA A 67 -2.677 -1.626 -5.282 1.00 0.00 C ATOM 0 H ALA A 67 -3.227 -4.082 -5.553 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.417 -2.369 -3.460 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.554 -0.614 -4.897 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.737 -2.169 -5.182 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.960 -1.583 -6.334 1.00 0.00 H new ATOM 489 N LYS A 68 -5.774 -1.733 -5.701 1.00 0.00 N ATOM 490 CA LYS A 68 -7.083 -1.106 -5.833 1.00 0.00 C ATOM 491 C LYS A 68 -7.881 -1.333 -4.540 1.00 0.00 C ATOM 492 O LYS A 68 -8.427 -0.392 -3.964 1.00 0.00 O ATOM 493 CB LYS A 68 -7.838 -1.681 -7.035 1.00 0.00 C ATOM 494 CG LYS A 68 -8.334 -0.621 -8.005 1.00 0.00 C ATOM 495 CD LYS A 68 -8.040 -1.000 -9.448 1.00 0.00 C ATOM 496 CE LYS A 68 -8.838 -0.150 -10.423 1.00 0.00 C ATOM 497 NZ LYS A 68 -8.440 1.284 -10.364 1.00 0.00 N ATOM 0 H LYS A 68 -5.462 -2.260 -6.516 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.955 -0.036 -5.998 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.184 -2.372 -7.568 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.689 -2.260 -6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.408 -0.483 -7.876 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.860 0.333 -7.775 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.975 -0.880 -9.647 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.277 -2.053 -9.604 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.692 -0.526 -11.436 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.901 -0.241 -10.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.007 1.830 -11.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.603 1.650 -9.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.432 1.375 -10.603 1.00 0.00 H new ATOM 511 N TYR A 69 -7.911 -2.588 -4.073 1.00 0.00 N ATOM 512 CA TYR A 69 -8.596 -2.981 -2.832 1.00 0.00 C ATOM 513 C TYR A 69 -8.283 -2.021 -1.707 1.00 0.00 C ATOM 514 O TYR A 69 -9.189 -1.447 -1.106 1.00 0.00 O ATOM 515 CB TYR A 69 -8.203 -4.402 -2.399 1.00 0.00 C ATOM 516 CG TYR A 69 -9.138 -5.474 -2.918 1.00 0.00 C ATOM 517 CD1 TYR A 69 -10.516 -5.284 -2.911 1.00 0.00 C ATOM 518 CD2 TYR A 69 -8.647 -6.677 -3.409 1.00 0.00 C ATOM 519 CE1 TYR A 69 -11.374 -6.259 -3.383 1.00 0.00 C ATOM 520 CE2 TYR A 69 -9.500 -7.657 -3.882 1.00 0.00 C ATOM 521 CZ TYR A 69 -10.861 -7.443 -3.866 1.00 0.00 C ATOM 522 OH TYR A 69 -11.712 -8.417 -4.334 1.00 0.00 O ATOM 0 H TYR A 69 -7.457 -3.367 -4.549 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.665 -2.955 -3.042 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.192 -4.613 -2.748 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.180 -4.448 -1.310 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.922 -4.359 -2.530 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.581 -6.850 -3.422 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -12.441 -6.094 -3.373 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.101 -8.586 -4.262 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.190 -9.188 -4.639 1.00 0.00 H new ATOM 532 N LEU A 70 -6.995 -1.834 -1.432 1.00 0.00 N ATOM 533 CA LEU A 70 -6.588 -0.909 -0.381 1.00 0.00 C ATOM 534 C LEU A 70 -7.403 0.368 -0.524 1.00 0.00 C ATOM 535 O LEU A 70 -7.996 0.864 0.433 1.00 0.00 O ATOM 536 CB LEU A 70 -5.086 -0.611 -0.441 1.00 0.00 C ATOM 537 CG LEU A 70 -4.354 -0.694 0.908 1.00 0.00 C ATOM 538 CD1 LEU A 70 -3.042 0.077 0.861 1.00 0.00 C ATOM 539 CD2 LEU A 70 -5.237 -0.172 2.037 1.00 0.00 C ATOM 0 H LEU A 70 -6.227 -2.302 -1.914 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.776 -1.364 0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.619 -1.311 -1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.945 0.388 -0.853 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.129 -1.743 1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.542 0.004 1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.400 -0.344 0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.243 1.124 0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.698 -0.241 2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.499 0.868 1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.146 -0.770 2.094 1.00 0.00 H new ATOM 551 N LEU A 71 -7.458 0.853 -1.758 1.00 0.00 N ATOM 552 CA LEU A 71 -8.236 2.032 -2.096 1.00 0.00 C ATOM 553 C LEU A 71 -9.692 1.772 -1.734 1.00 0.00 C ATOM 554 O LEU A 71 -10.334 2.582 -1.066 1.00 0.00 O ATOM 555 CB LEU A 71 -8.081 2.363 -3.591 1.00 0.00 C ATOM 556 CG LEU A 71 -9.354 2.269 -4.443 1.00 0.00 C ATOM 557 CD1 LEU A 71 -10.277 3.444 -4.158 1.00 0.00 C ATOM 558 CD2 LEU A 71 -9.004 2.211 -5.923 1.00 0.00 C ATOM 0 H LEU A 71 -6.965 0.439 -2.549 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.877 2.894 -1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.685 3.375 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.335 1.691 -4.015 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.877 1.350 -4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.174 3.359 -4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.556 3.440 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.763 4.376 -4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.919 2.145 -6.511 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.457 3.111 -6.203 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.384 1.335 -6.116 1.00 0.00 H new ATOM 570 N LYS A 72 -10.196 0.612 -2.163 1.00 0.00 N ATOM 571 CA LYS A 72 -11.565 0.217 -1.864 1.00 0.00 C ATOM 572 C LYS A 72 -11.840 0.411 -0.382 1.00 0.00 C ATOM 573 O LYS A 72 -12.855 0.990 0.009 1.00 0.00 O ATOM 574 CB LYS A 72 -11.799 -1.243 -2.257 1.00 0.00 C ATOM 575 CG LYS A 72 -13.211 -1.524 -2.743 1.00 0.00 C ATOM 576 CD LYS A 72 -13.671 -2.916 -2.341 1.00 0.00 C ATOM 577 CE LYS A 72 -14.490 -3.572 -3.441 1.00 0.00 C ATOM 578 NZ LYS A 72 -15.612 -4.382 -2.892 1.00 0.00 N ATOM 0 H LYS A 72 -9.673 -0.066 -2.718 1.00 0.00 H new ATOM 0 HA LYS A 72 -12.247 0.842 -2.441 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.093 -1.517 -3.041 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.586 -1.880 -1.399 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.894 -0.781 -2.331 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.250 -1.426 -3.828 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.803 -3.535 -2.113 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.266 -2.855 -1.430 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.888 -2.804 -4.104 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.843 -4.210 -4.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.145 -4.812 -3.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -15.232 -5.131 -2.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.244 -3.769 -2.338 1.00 0.00 H new ATOM 592 N GLU A 73 -10.918 -0.083 0.439 1.00 0.00 N ATOM 593 CA GLU A 73 -11.040 0.025 1.888 1.00 0.00 C ATOM 594 C GLU A 73 -11.314 1.468 2.316 1.00 0.00 C ATOM 595 O GLU A 73 -12.315 1.749 2.973 1.00 0.00 O ATOM 596 CB GLU A 73 -9.767 -0.486 2.565 1.00 0.00 C ATOM 597 CG GLU A 73 -10.032 -1.319 3.809 1.00 0.00 C ATOM 598 CD GLU A 73 -8.963 -2.367 4.047 1.00 0.00 C ATOM 599 OE1 GLU A 73 -8.587 -3.060 3.080 1.00 0.00 O ATOM 600 OE2 GLU A 73 -8.503 -2.494 5.202 1.00 0.00 O ATOM 0 H GLU A 73 -10.075 -0.564 0.123 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.885 -0.589 2.199 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.201 -1.084 1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.142 0.365 2.834 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.091 -0.662 4.676 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.001 -1.809 3.714 1.00 0.00 H new ATOM 607 N THR A 74 -10.414 2.374 1.946 1.00 0.00 N ATOM 608 CA THR A 74 -10.561 3.784 2.302 1.00 0.00 C ATOM 609 C THR A 74 -11.703 4.439 1.528 1.00 0.00 C ATOM 610 O THR A 74 -12.646 4.960 2.125 1.00 0.00 O ATOM 611 CB THR A 74 -9.253 4.548 2.062 1.00 0.00 C ATOM 612 OG1 THR A 74 -9.451 5.938 2.245 1.00 0.00 O ATOM 613 CG2 THR A 74 -8.669 4.351 0.678 1.00 0.00 C ATOM 0 H THR A 74 -9.578 2.160 1.402 1.00 0.00 H new ATOM 0 HA THR A 74 -10.802 3.828 3.364 1.00 0.00 H new ATOM 0 HB THR A 74 -8.551 4.139 2.788 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.237 6.411 1.414 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.746 4.924 0.588 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.457 3.294 0.520 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.383 4.694 -0.071 1.00 0.00 H new ATOM 621 N GLY A 75 -11.622 4.411 0.201 1.00 0.00 N ATOM 622 CA GLY A 75 -12.664 5.006 -0.616 1.00 0.00 C ATOM 623 C GLY A 75 -12.186 6.219 -1.395 1.00 0.00 C ATOM 624 O GLY A 75 -12.956 7.148 -1.640 1.00 0.00 O ATOM 0 H GLY A 75 -10.855 3.988 -0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.042 4.259 -1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.498 5.297 0.023 1.00 0.00 H new ATOM 628 N SER A 76 -10.917 6.210 -1.792 1.00 0.00 N ATOM 629 CA SER A 76 -10.349 7.319 -2.554 1.00 0.00 C ATOM 630 C SER A 76 -9.876 6.838 -3.929 1.00 0.00 C ATOM 631 O SER A 76 -10.683 6.699 -4.849 1.00 0.00 O ATOM 632 CB SER A 76 -9.199 7.967 -1.777 1.00 0.00 C ATOM 633 OG SER A 76 -9.680 8.958 -0.886 1.00 0.00 O ATOM 0 H SER A 76 -10.264 5.450 -1.600 1.00 0.00 H new ATOM 0 HA SER A 76 -11.124 8.070 -2.706 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.658 7.203 -1.219 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.491 8.414 -2.475 1.00 0.00 H new ATOM 0 HG SER A 76 -8.924 9.463 -0.520 1.00 0.00 H new ATOM 639 N ALA A 77 -8.578 6.566 -4.072 1.00 0.00 N ATOM 640 CA ALA A 77 -8.041 6.083 -5.346 1.00 0.00 C ATOM 641 C ALA A 77 -6.829 5.206 -5.093 1.00 0.00 C ATOM 642 O ALA A 77 -6.042 5.510 -4.211 1.00 0.00 O ATOM 643 CB ALA A 77 -7.676 7.252 -6.250 1.00 0.00 C ATOM 0 H ALA A 77 -7.885 6.670 -3.331 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.806 5.492 -5.850 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.279 6.873 -7.192 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.565 7.852 -6.446 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.923 7.869 -5.760 1.00 0.00 H new ATOM 649 N GLY A 78 -6.673 4.112 -5.829 1.00 0.00 N ATOM 650 CA GLY A 78 -5.530 3.242 -5.585 1.00 0.00 C ATOM 651 C GLY A 78 -4.749 2.882 -6.835 1.00 0.00 C ATOM 652 O GLY A 78 -5.320 2.707 -7.912 1.00 0.00 O ATOM 0 H GLY A 78 -7.300 3.813 -6.576 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.859 3.731 -4.878 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.879 2.325 -5.111 1.00 0.00 H new ATOM 656 N ASN A 79 -3.429 2.785 -6.679 1.00 0.00 N ATOM 657 CA ASN A 79 -2.531 2.457 -7.785 1.00 0.00 C ATOM 658 C ASN A 79 -1.571 1.332 -7.385 1.00 0.00 C ATOM 659 O ASN A 79 -0.985 1.360 -6.305 1.00 0.00 O ATOM 660 CB ASN A 79 -1.727 3.710 -8.139 1.00 0.00 C ATOM 661 CG ASN A 79 -2.259 4.408 -9.376 1.00 0.00 C ATOM 662 OD1 ASN A 79 -3.410 4.841 -9.412 1.00 0.00 O ATOM 663 ND2 ASN A 79 -1.419 4.518 -10.398 1.00 0.00 N ATOM 0 H ASN A 79 -2.955 2.931 -5.788 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.116 2.121 -8.641 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.748 4.402 -7.297 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.684 3.436 -8.300 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.719 4.977 -11.258 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.473 4.144 -10.323 1.00 0.00 H new ATOM 670 N LEU A 80 -1.338 0.390 -8.293 1.00 0.00 N ATOM 671 CA LEU A 80 -0.392 -0.692 -8.028 1.00 0.00 C ATOM 672 C LEU A 80 0.787 -0.644 -8.993 1.00 0.00 C ATOM 673 O LEU A 80 0.614 -0.519 -10.204 1.00 0.00 O ATOM 674 CB LEU A 80 -1.081 -2.040 -8.190 1.00 0.00 C ATOM 675 CG LEU A 80 -0.174 -3.232 -7.867 1.00 0.00 C ATOM 676 CD1 LEU A 80 -0.745 -4.048 -6.722 1.00 0.00 C ATOM 677 CD2 LEU A 80 0.038 -4.102 -9.098 1.00 0.00 C ATOM 0 H LEU A 80 -1.785 0.352 -9.209 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.030 -0.566 -7.007 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.956 -2.073 -7.540 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.441 -2.134 -9.214 1.00 0.00 H new ATOM 0 HG LEU A 80 0.796 -2.844 -7.557 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.085 -4.889 -6.510 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.830 -3.420 -5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.731 -4.422 -6.998 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.685 -4.941 -8.843 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.923 -4.478 -9.448 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.504 -3.510 -9.886 1.00 0.00 H new ATOM 689 N GLU A 81 1.976 -0.878 -8.453 1.00 0.00 N ATOM 690 CA GLU A 81 3.189 -0.954 -9.256 1.00 0.00 C ATOM 691 C GLU A 81 3.736 -2.358 -9.089 1.00 0.00 C ATOM 692 O GLU A 81 3.767 -2.853 -7.974 1.00 0.00 O ATOM 693 CB GLU A 81 4.189 0.074 -8.726 1.00 0.00 C ATOM 694 CG GLU A 81 4.044 1.445 -9.365 1.00 0.00 C ATOM 695 CD GLU A 81 4.909 2.495 -8.695 1.00 0.00 C ATOM 696 OE1 GLU A 81 4.590 2.887 -7.553 1.00 0.00 O ATOM 697 OE2 GLU A 81 5.907 2.925 -9.313 1.00 0.00 O ATOM 0 H GLU A 81 2.126 -1.019 -7.454 1.00 0.00 H new ATOM 0 HA GLU A 81 2.999 -0.744 -10.308 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.063 0.169 -7.648 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.201 -0.293 -8.898 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.310 1.380 -10.420 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.000 1.755 -9.318 1.00 0.00 H new ATOM 704 N GLY A 82 4.214 -2.986 -10.141 1.00 0.00 N ATOM 705 CA GLY A 82 4.762 -4.334 -10.007 1.00 0.00 C ATOM 706 C GLY A 82 5.745 -4.549 -8.841 1.00 0.00 C ATOM 707 O GLY A 82 6.941 -4.724 -9.079 1.00 0.00 O ATOM 0 H GLY A 82 4.239 -2.601 -11.085 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.933 -5.032 -9.891 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.269 -4.593 -10.936 1.00 0.00 H new ATOM 711 N GLY A 83 5.254 -4.589 -7.585 1.00 0.00 N ATOM 712 CA GLY A 83 6.153 -4.850 -6.445 1.00 0.00 C ATOM 713 C GLY A 83 5.741 -4.220 -5.120 1.00 0.00 C ATOM 714 O GLY A 83 6.249 -4.570 -4.061 1.00 0.00 O ATOM 0 H GLY A 83 4.274 -4.449 -7.340 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.229 -5.928 -6.305 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.150 -4.491 -6.702 1.00 0.00 H new ATOM 718 N ARG A 84 4.880 -3.261 -5.218 1.00 0.00 N ATOM 719 CA ARG A 84 4.387 -2.475 -4.120 1.00 0.00 C ATOM 720 C ARG A 84 2.900 -2.225 -4.349 1.00 0.00 C ATOM 721 O ARG A 84 2.457 -1.944 -5.467 1.00 0.00 O ATOM 722 CB ARG A 84 5.108 -1.127 -4.151 1.00 0.00 C ATOM 723 CG ARG A 84 5.013 -0.407 -5.487 1.00 0.00 C ATOM 724 CD ARG A 84 6.339 0.227 -5.874 1.00 0.00 C ATOM 725 NE ARG A 84 6.590 1.465 -5.139 1.00 0.00 N ATOM 726 CZ ARG A 84 7.799 1.997 -4.972 1.00 0.00 C ATOM 727 NH1 ARG A 84 8.870 1.408 -5.489 1.00 0.00 N ATOM 728 NH2 ARG A 84 7.937 3.124 -4.288 1.00 0.00 N ATOM 0 H ARG A 84 4.476 -2.985 -6.113 1.00 0.00 H new ATOM 0 HA ARG A 84 4.550 -2.983 -3.169 1.00 0.00 H new ATOM 0 HB2 ARG A 84 4.692 -0.486 -3.374 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.159 -1.283 -3.907 1.00 0.00 H new ATOM 0 HG2 ARG A 84 4.706 -1.111 -6.260 1.00 0.00 H new ATOM 0 HG3 ARG A 84 4.243 0.362 -5.433 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.148 -0.478 -5.682 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.343 0.434 -6.944 1.00 0.00 H new ATOM 0 HE ARG A 84 5.792 1.950 -4.730 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.770 0.542 -6.018 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.793 1.821 -5.357 1.00 0.00 H new ATOM 0 HH21 ARG A 84 7.117 3.583 -3.890 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.863 3.532 -4.159 1.00 0.00 H new ATOM 742 N LEU A 85 2.182 -2.150 -3.257 1.00 0.00 N ATOM 743 CA LEU A 85 0.756 -1.798 -3.288 1.00 0.00 C ATOM 744 C LEU A 85 0.663 -0.351 -2.798 1.00 0.00 C ATOM 745 O LEU A 85 1.302 0.008 -1.809 1.00 0.00 O ATOM 746 CB LEU A 85 0.010 -2.738 -2.323 1.00 0.00 C ATOM 747 CG LEU A 85 -0.587 -2.074 -1.075 1.00 0.00 C ATOM 748 CD1 LEU A 85 -1.890 -1.372 -1.418 1.00 0.00 C ATOM 749 CD2 LEU A 85 -0.788 -3.093 0.040 1.00 0.00 C ATOM 0 H LEU A 85 2.550 -2.326 -2.322 1.00 0.00 H new ATOM 0 HA LEU A 85 0.319 -1.896 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.795 -3.228 -2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.698 -3.520 -2.002 1.00 0.00 H new ATOM 0 HG LEU A 85 0.117 -1.324 -0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.300 -0.907 -0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.704 -0.607 -2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.603 -2.098 -1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.212 -2.598 0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.468 -3.875 -0.300 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.172 -3.537 0.305 1.00 0.00 H new ATOM 761 N ILE A 86 -0.132 0.480 -3.464 1.00 0.00 N ATOM 762 CA ILE A 86 -0.255 1.877 -3.060 1.00 0.00 C ATOM 763 C ILE A 86 -1.702 2.269 -2.820 1.00 0.00 C ATOM 764 O ILE A 86 -2.582 1.997 -3.649 1.00 0.00 O ATOM 765 CB ILE A 86 0.324 2.789 -4.164 1.00 0.00 C ATOM 766 CG1 ILE A 86 1.745 2.352 -4.523 1.00 0.00 C ATOM 767 CG2 ILE A 86 0.304 4.247 -3.733 1.00 0.00 C ATOM 768 CD1 ILE A 86 1.822 1.533 -5.794 1.00 0.00 C ATOM 0 H ILE A 86 -0.693 0.217 -4.274 1.00 0.00 H new ATOM 0 HA ILE A 86 0.297 1.998 -2.128 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.304 2.693 -5.050 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.372 3.237 -4.632 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.156 1.769 -3.699 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.717 4.867 -4.528 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.723 4.553 -3.531 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.903 4.368 -2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.859 1.258 -5.987 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.222 0.630 -5.682 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.441 2.121 -6.629 1.00 0.00 H new ATOM 780 N LEU A 87 -1.923 3.019 -1.746 1.00 0.00 N ATOM 781 CA LEU A 87 -3.240 3.535 -1.438 1.00 0.00 C ATOM 782 C LEU A 87 -3.152 5.044 -1.353 1.00 0.00 C ATOM 783 O LEU A 87 -2.252 5.591 -0.712 1.00 0.00 O ATOM 784 CB LEU A 87 -3.711 2.958 -0.097 1.00 0.00 C ATOM 785 CG LEU A 87 -4.740 3.802 0.660 1.00 0.00 C ATOM 786 CD1 LEU A 87 -5.663 2.913 1.478 1.00 0.00 C ATOM 787 CD2 LEU A 87 -4.043 4.815 1.555 1.00 0.00 C ATOM 0 H LEU A 87 -1.200 3.281 -1.075 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.953 3.250 -2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.138 1.971 -0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.840 2.817 0.544 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.343 4.344 -0.069 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.387 3.531 2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.189 2.226 0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.075 2.343 2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.789 5.406 2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.415 4.292 2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.424 5.474 0.946 1.00 0.00 H new ATOM 799 N GLN A 88 -4.117 5.711 -1.940 1.00 0.00 N ATOM 800 CA GLN A 88 -4.166 7.162 -1.906 1.00 0.00 C ATOM 801 C GLN A 88 -5.413 7.644 -1.189 1.00 0.00 C ATOM 802 O GLN A 88 -6.527 7.581 -1.724 1.00 0.00 O ATOM 803 CB GLN A 88 -4.108 7.750 -3.318 1.00 0.00 C ATOM 804 CG GLN A 88 -2.751 7.598 -3.986 1.00 0.00 C ATOM 805 CD GLN A 88 -2.825 6.835 -5.294 1.00 0.00 C ATOM 806 OE1 GLN A 88 -2.320 7.290 -6.320 1.00 0.00 O ATOM 807 NE2 GLN A 88 -3.458 5.669 -5.263 1.00 0.00 N ATOM 0 H GLN A 88 -4.884 5.274 -2.450 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.292 7.508 -1.355 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.864 7.265 -3.936 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.365 8.808 -3.272 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.328 8.586 -4.170 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.072 7.082 -3.307 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.862 5.331 -4.389 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.541 5.111 -6.113 1.00 0.00 H new ATOM 816 N ARG A 89 -5.202 8.114 0.039 1.00 0.00 N ATOM 817 CA ARG A 89 -6.286 8.616 0.873 1.00 0.00 C ATOM 818 C ARG A 89 -6.146 10.123 1.072 1.00 0.00 C ATOM 819 O ARG A 89 -5.130 10.713 0.706 1.00 0.00 O ATOM 820 CB ARG A 89 -6.283 7.908 2.229 1.00 0.00 C ATOM 821 CG ARG A 89 -7.619 7.967 2.953 1.00 0.00 C ATOM 822 CD ARG A 89 -7.587 8.951 4.112 1.00 0.00 C ATOM 823 NE ARG A 89 -8.747 9.842 4.108 1.00 0.00 N ATOM 824 CZ ARG A 89 -10.002 9.427 4.269 1.00 0.00 C ATOM 825 NH1 ARG A 89 -10.265 8.138 4.448 1.00 0.00 N ATOM 826 NH2 ARG A 89 -10.996 10.303 4.251 1.00 0.00 N ATOM 0 H ARG A 89 -4.283 8.157 0.479 1.00 0.00 H new ATOM 0 HA ARG A 89 -7.232 8.413 0.371 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -6.005 6.864 2.083 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.517 8.357 2.861 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -8.401 8.257 2.251 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.876 6.975 3.325 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -7.555 8.402 5.053 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -6.674 9.544 4.058 1.00 0.00 H new ATOM 0 HE ARG A 89 -8.585 10.840 3.974 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -9.504 7.459 4.463 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -11.228 7.826 4.571 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -10.800 11.294 4.114 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -11.958 9.986 4.374 1.00 0.00 H new ATOM 840 N ARG A 90 -7.168 10.742 1.653 1.00 0.00 N ATOM 841 CA ARG A 90 -7.146 12.180 1.895 1.00 0.00 C ATOM 842 C ARG A 90 -6.259 12.514 3.092 1.00 0.00 C ATOM 843 O ARG A 90 -6.733 13.022 4.109 1.00 0.00 O ATOM 844 CB ARG A 90 -8.567 12.703 2.124 1.00 0.00 C ATOM 845 CG ARG A 90 -9.186 13.336 0.886 1.00 0.00 C ATOM 846 CD ARG A 90 -9.620 14.773 1.141 1.00 0.00 C ATOM 847 NE ARG A 90 -8.854 15.725 0.339 1.00 0.00 N ATOM 848 CZ ARG A 90 -7.635 16.154 0.660 1.00 0.00 C ATOM 849 NH1 ARG A 90 -7.037 15.714 1.761 1.00 0.00 N ATOM 850 NH2 ARG A 90 -7.011 17.023 -0.123 1.00 0.00 N ATOM 0 H ARG A 90 -8.019 10.273 1.964 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.730 12.669 1.014 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.200 11.880 2.457 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.550 13.438 2.929 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.466 13.314 0.068 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.047 12.747 0.569 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.681 14.878 0.913 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.496 15.007 2.198 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.278 16.082 -0.517 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.512 15.044 2.366 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.103 16.046 2.002 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.465 17.363 -0.971 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.077 17.352 0.123 1.00 0.00 H new TER 864 ARG A 90