USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 731 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 SER OG : rot -178:sc= -0.894 USER MOD Set 1.2: A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.803 K(o=-0.8,f=-3.8!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-1.7) USER MOD Single : A 23 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.181) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 155:sc= -2.77 (180deg=-3.04) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HE2:sc= -0.559 F(o=-1.6,f=-0.56) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.036) USER MOD Single : A 48 ASN : amide:sc= -0.491 X(o=-0.49,f=-0.16) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 23:sc= 1.31 USER MOD Single : A 70 ASN : amide:sc= -0.0806 X(o=-0.081,f=0) USER MOD Single : A 72 THR OG1 : rot 82:sc= 1.21 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -104:sc= 0.0773 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.95 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -10.420 8.315 5.603 1.00 0.00 N ATOM 21 CA VAL A 2 -9.108 8.904 5.333 1.00 0.00 C ATOM 22 C VAL A 2 -8.686 8.671 3.882 1.00 0.00 C ATOM 23 O VAL A 2 -8.692 7.536 3.398 1.00 0.00 O ATOM 24 CB VAL A 2 -8.014 8.350 6.273 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.147 8.947 7.667 1.00 0.00 C ATOM 26 CG2 VAL A 2 -8.059 6.828 6.326 1.00 0.00 C ATOM 0 HA VAL A 2 -9.210 9.974 5.516 1.00 0.00 H new ATOM 0 HB VAL A 2 -7.044 8.642 5.871 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.367 8.543 8.312 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.045 10.031 7.610 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.124 8.695 8.079 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -7.279 6.464 6.994 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.033 6.505 6.695 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -7.898 6.424 5.326 1.00 0.00 H new ATOM 36 N ASN A 3 -8.321 9.755 3.197 1.00 0.00 N ATOM 37 CA ASN A 3 -7.894 9.683 1.799 1.00 0.00 C ATOM 38 C ASN A 3 -6.377 9.826 1.685 1.00 0.00 C ATOM 39 O ASN A 3 -5.785 10.733 2.274 1.00 0.00 O ATOM 40 CB ASN A 3 -8.575 10.776 0.966 1.00 0.00 C ATOM 41 CG ASN A 3 -10.071 10.859 1.206 1.00 0.00 C ATOM 42 OD1 ASN A 3 -10.778 9.853 1.151 1.00 0.00 O ATOM 43 ND2 ASN A 3 -10.563 12.064 1.472 1.00 0.00 N ATOM 0 H ASN A 3 -8.313 10.697 3.589 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.187 8.706 1.414 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.121 11.739 1.200 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -8.392 10.586 -0.092 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.562 12.181 1.640 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.942 12.872 1.508 1.00 0.00 H new ATOM 50 N VAL A 4 -5.753 8.928 0.920 1.00 0.00 N ATOM 51 CA VAL A 4 -4.303 8.960 0.727 1.00 0.00 C ATOM 52 C VAL A 4 -3.929 8.805 -0.747 1.00 0.00 C ATOM 53 O VAL A 4 -4.614 8.113 -1.504 1.00 0.00 O ATOM 54 CB VAL A 4 -3.592 7.856 1.540 1.00 0.00 C ATOM 55 CG1 VAL A 4 -3.706 8.123 3.036 1.00 0.00 C ATOM 56 CG2 VAL A 4 -4.150 6.483 1.190 1.00 0.00 C ATOM 0 H VAL A 4 -6.228 8.172 0.426 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.970 9.935 1.083 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.535 7.870 1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.197 7.332 3.587 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.245 9.082 3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -4.757 8.146 3.322 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.634 5.721 1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.216 6.455 1.417 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.000 6.289 0.128 1.00 0.00 H new ATOM 66 N LYS A 5 -2.830 9.450 -1.143 1.00 0.00 N ATOM 67 CA LYS A 5 -2.348 9.386 -2.522 1.00 0.00 C ATOM 68 C LYS A 5 -1.143 8.451 -2.629 1.00 0.00 C ATOM 69 O LYS A 5 -0.018 8.832 -2.297 1.00 0.00 O ATOM 70 CB LYS A 5 -1.970 10.784 -3.022 1.00 0.00 C ATOM 71 CG LYS A 5 -1.934 10.902 -4.539 1.00 0.00 C ATOM 72 CD LYS A 5 -0.782 11.781 -5.005 1.00 0.00 C ATOM 73 CE LYS A 5 -1.172 12.624 -6.213 1.00 0.00 C ATOM 74 NZ LYS A 5 -1.459 14.041 -5.843 1.00 0.00 N ATOM 0 H LYS A 5 -2.256 10.024 -0.525 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.152 8.993 -3.145 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.684 11.507 -2.627 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.992 11.051 -2.622 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.837 9.910 -4.980 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.877 11.318 -4.895 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.470 12.434 -4.190 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.074 11.156 -5.258 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.367 12.598 -6.947 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.051 12.189 -6.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.720 14.576 -6.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.245 14.070 -5.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.613 14.466 -5.413 1.00 0.00 H new ATOM 88 N VAL A 6 -1.389 7.227 -3.097 1.00 0.00 N ATOM 89 CA VAL A 6 -0.329 6.231 -3.253 1.00 0.00 C ATOM 90 C VAL A 6 0.037 6.038 -4.725 1.00 0.00 C ATOM 91 O VAL A 6 -0.799 6.229 -5.607 1.00 0.00 O ATOM 92 CB VAL A 6 -0.736 4.865 -2.653 1.00 0.00 C ATOM 93 CG1 VAL A 6 -0.713 4.913 -1.131 1.00 0.00 C ATOM 94 CG2 VAL A 6 -2.108 4.434 -3.155 1.00 0.00 C ATOM 0 H VAL A 6 -2.315 6.901 -3.375 1.00 0.00 H new ATOM 0 HA VAL A 6 0.537 6.611 -2.711 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.007 4.125 -2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.003 3.941 -0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.292 5.160 -0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.412 5.672 -0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.369 3.470 -2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.851 5.177 -2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.087 4.345 -4.241 1.00 0.00 H new ATOM 104 N GLU A 7 1.288 5.651 -4.983 1.00 0.00 N ATOM 105 CA GLU A 7 1.754 5.426 -6.353 1.00 0.00 C ATOM 106 C GLU A 7 2.343 4.024 -6.513 1.00 0.00 C ATOM 107 O GLU A 7 2.726 3.389 -5.531 1.00 0.00 O ATOM 108 CB GLU A 7 2.784 6.486 -6.758 1.00 0.00 C ATOM 109 CG GLU A 7 4.003 6.545 -5.851 1.00 0.00 C ATOM 110 CD GLU A 7 5.168 7.282 -6.484 1.00 0.00 C ATOM 111 OE1 GLU A 7 5.681 6.809 -7.520 1.00 0.00 O ATOM 112 OE2 GLU A 7 5.570 8.333 -5.942 1.00 0.00 O ATOM 0 H GLU A 7 1.994 5.487 -4.265 1.00 0.00 H new ATOM 0 HA GLU A 7 0.891 5.510 -7.014 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.113 6.287 -7.778 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.301 7.463 -6.764 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.732 7.036 -4.916 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.313 5.531 -5.600 1.00 0.00 H new ATOM 119 N PHE A 8 2.401 3.543 -7.756 1.00 0.00 N ATOM 120 CA PHE A 8 2.933 2.210 -8.041 1.00 0.00 C ATOM 121 C PHE A 8 3.971 2.252 -9.161 1.00 0.00 C ATOM 122 O PHE A 8 3.840 3.023 -10.112 1.00 0.00 O ATOM 123 CB PHE A 8 1.796 1.257 -8.412 1.00 0.00 C ATOM 124 CG PHE A 8 0.813 1.047 -7.295 1.00 0.00 C ATOM 125 CD1 PHE A 8 1.066 0.120 -6.297 1.00 0.00 C ATOM 126 CD2 PHE A 8 -0.360 1.782 -7.241 1.00 0.00 C ATOM 127 CE1 PHE A 8 0.167 -0.071 -5.266 1.00 0.00 C ATOM 128 CE2 PHE A 8 -1.263 1.596 -6.212 1.00 0.00 C ATOM 129 CZ PHE A 8 -1.000 0.668 -5.224 1.00 0.00 C ATOM 0 H PHE A 8 2.087 4.056 -8.580 1.00 0.00 H new ATOM 0 HA PHE A 8 3.426 1.846 -7.140 1.00 0.00 H new ATOM 0 HB2 PHE A 8 1.270 1.650 -9.282 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.217 0.295 -8.703 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.977 -0.460 -6.326 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.571 2.508 -8.012 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.376 -0.797 -4.494 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.174 2.176 -6.180 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.705 0.520 -4.420 1.00 0.00 H new ATOM 139 N LEU A 9 5.010 1.422 -9.030 1.00 0.00 N ATOM 140 CA LEU A 9 6.084 1.367 -10.022 1.00 0.00 C ATOM 141 C LEU A 9 6.550 -0.070 -10.265 1.00 0.00 C ATOM 142 O LEU A 9 6.159 -0.993 -9.546 1.00 0.00 O ATOM 143 CB LEU A 9 7.267 2.226 -9.562 1.00 0.00 C ATOM 144 CG LEU A 9 6.923 3.683 -9.240 1.00 0.00 C ATOM 145 CD1 LEU A 9 6.388 3.804 -7.820 1.00 0.00 C ATOM 146 CD2 LEU A 9 8.137 4.579 -9.433 1.00 0.00 C ATOM 0 H LEU A 9 5.129 0.780 -8.247 1.00 0.00 H new ATOM 0 HA LEU A 9 5.692 1.758 -10.961 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.706 1.768 -8.676 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.031 2.212 -10.340 1.00 0.00 H new ATOM 0 HG LEU A 9 6.145 4.011 -9.930 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.149 4.846 -7.609 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.488 3.197 -7.717 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.143 3.455 -7.116 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.870 5.609 -9.199 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.939 4.253 -8.771 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.473 4.518 -10.468 1.00 0.00 H new ATOM 158 N GLY A 10 7.394 -0.246 -11.284 1.00 0.00 N ATOM 159 CA GLY A 10 7.909 -1.565 -11.614 1.00 0.00 C ATOM 160 C GLY A 10 6.887 -2.418 -12.341 1.00 0.00 C ATOM 161 O GLY A 10 6.535 -2.132 -13.487 1.00 0.00 O ATOM 0 H GLY A 10 7.730 0.505 -11.887 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.799 -1.460 -12.235 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.217 -2.072 -10.699 1.00 0.00 H new ATOM 165 N GLY A 11 6.411 -3.464 -11.666 1.00 0.00 N ATOM 166 CA GLY A 11 5.423 -4.354 -12.255 1.00 0.00 C ATOM 167 C GLY A 11 4.172 -4.496 -11.400 1.00 0.00 C ATOM 168 O GLY A 11 3.493 -5.523 -11.457 1.00 0.00 O ATOM 0 H GLY A 11 6.694 -3.711 -10.718 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.144 -3.979 -13.239 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.869 -5.337 -12.404 1.00 0.00 H new ATOM 172 N LEU A 12 3.864 -3.465 -10.609 1.00 0.00 N ATOM 173 CA LEU A 12 2.686 -3.481 -9.744 1.00 0.00 C ATOM 174 C LEU A 12 1.471 -2.906 -10.469 1.00 0.00 C ATOM 175 O LEU A 12 0.412 -3.532 -10.514 1.00 0.00 O ATOM 176 CB LEU A 12 2.959 -2.686 -8.465 1.00 0.00 C ATOM 177 CG LEU A 12 3.647 -3.472 -7.348 1.00 0.00 C ATOM 178 CD1 LEU A 12 4.212 -2.521 -6.302 1.00 0.00 C ATOM 179 CD2 LEU A 12 2.676 -4.460 -6.715 1.00 0.00 C ATOM 0 H LEU A 12 4.416 -2.609 -10.551 1.00 0.00 H new ATOM 0 HA LEU A 12 2.470 -4.516 -9.480 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.578 -1.824 -8.716 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.013 -2.300 -8.087 1.00 0.00 H new ATOM 0 HG LEU A 12 4.474 -4.038 -7.778 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.699 -3.095 -5.513 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.939 -1.857 -6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.403 -1.929 -5.874 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.182 -5.011 -5.922 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.828 -3.919 -6.296 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.322 -5.159 -7.473 1.00 0.00 H new ATOM 191 N ASP A 13 1.640 -1.711 -11.042 1.00 0.00 N ATOM 192 CA ASP A 13 0.565 -1.040 -11.780 1.00 0.00 C ATOM 193 C ASP A 13 0.038 -1.913 -12.922 1.00 0.00 C ATOM 194 O ASP A 13 -1.121 -1.788 -13.320 1.00 0.00 O ATOM 195 CB ASP A 13 1.054 0.303 -12.341 1.00 0.00 C ATOM 196 CG ASP A 13 2.357 0.182 -13.110 1.00 0.00 C ATOM 197 OD1 ASP A 13 3.426 0.132 -12.463 1.00 0.00 O ATOM 198 OD2 ASP A 13 2.308 0.133 -14.357 1.00 0.00 O ATOM 0 H ASP A 13 2.514 -1.186 -11.009 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.251 -0.863 -11.079 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.288 0.718 -12.996 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.187 1.008 -11.520 1.00 0.00 H new ATOM 203 N ALA A 14 0.892 -2.800 -13.444 1.00 0.00 N ATOM 204 CA ALA A 14 0.502 -3.691 -14.536 1.00 0.00 C ATOM 205 C ALA A 14 -0.591 -4.661 -14.093 1.00 0.00 C ATOM 206 O ALA A 14 -1.476 -5.012 -14.875 1.00 0.00 O ATOM 207 CB ALA A 14 1.709 -4.461 -15.057 1.00 0.00 C ATOM 0 H ALA A 14 1.854 -2.918 -13.127 1.00 0.00 H new ATOM 0 HA ALA A 14 0.104 -3.075 -15.342 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.398 -5.118 -15.869 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.457 -3.759 -15.425 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.136 -5.057 -14.251 1.00 0.00 H new ATOM 213 N ILE A 15 -0.522 -5.091 -12.833 1.00 0.00 N ATOM 214 CA ILE A 15 -1.502 -6.021 -12.280 1.00 0.00 C ATOM 215 C ILE A 15 -2.798 -5.299 -11.907 1.00 0.00 C ATOM 216 O ILE A 15 -3.892 -5.797 -12.172 1.00 0.00 O ATOM 217 CB ILE A 15 -0.952 -6.743 -11.031 1.00 0.00 C ATOM 218 CG1 ILE A 15 0.429 -7.342 -11.318 1.00 0.00 C ATOM 219 CG2 ILE A 15 -1.919 -7.826 -10.569 1.00 0.00 C ATOM 220 CD1 ILE A 15 1.129 -7.875 -10.086 1.00 0.00 C ATOM 0 H ILE A 15 0.205 -4.808 -12.176 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.709 -6.759 -13.055 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.848 -6.011 -10.230 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.322 -8.150 -12.042 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.057 -6.580 -11.781 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.514 -8.324 -9.688 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.880 -7.374 -10.321 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.056 -8.556 -11.367 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.100 -8.283 -10.367 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.269 -7.066 -9.369 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.523 -8.660 -9.634 1.00 0.00 H new ATOM 232 N PHE A 16 -2.663 -4.128 -11.283 1.00 0.00 N ATOM 233 CA PHE A 16 -3.822 -3.339 -10.864 1.00 0.00 C ATOM 234 C PHE A 16 -4.686 -2.939 -12.061 1.00 0.00 C ATOM 235 O PHE A 16 -5.809 -3.424 -12.215 1.00 0.00 O ATOM 236 CB PHE A 16 -3.371 -2.085 -10.106 1.00 0.00 C ATOM 237 CG PHE A 16 -2.727 -2.371 -8.777 1.00 0.00 C ATOM 238 CD1 PHE A 16 -3.471 -2.875 -7.722 1.00 0.00 C ATOM 239 CD2 PHE A 16 -1.375 -2.133 -8.584 1.00 0.00 C ATOM 240 CE1 PHE A 16 -2.879 -3.135 -6.500 1.00 0.00 C ATOM 241 CE2 PHE A 16 -0.779 -2.392 -7.365 1.00 0.00 C ATOM 242 CZ PHE A 16 -1.531 -2.894 -6.322 1.00 0.00 C ATOM 0 H PHE A 16 -1.763 -3.705 -11.057 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.423 -3.962 -10.202 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.667 -1.531 -10.727 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.234 -1.438 -9.948 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.525 -3.067 -7.856 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.781 -1.741 -9.396 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.470 -3.526 -5.685 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.275 -2.202 -7.228 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.066 -3.098 -5.369 1.00 0.00 H new ATOM 252 N GLY A 17 -4.158 -2.049 -12.902 1.00 0.00 N ATOM 253 CA GLY A 17 -4.895 -1.593 -14.071 1.00 0.00 C ATOM 254 C GLY A 17 -4.206 -0.444 -14.790 1.00 0.00 C ATOM 255 O GLY A 17 -4.860 0.512 -15.209 1.00 0.00 O ATOM 0 H GLY A 17 -3.232 -1.636 -12.794 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.021 -2.426 -14.763 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.893 -1.279 -13.766 1.00 0.00 H new ATOM 259 N LYS A 18 -2.883 -0.543 -14.934 1.00 0.00 N ATOM 260 CA LYS A 18 -2.089 0.485 -15.607 1.00 0.00 C ATOM 261 C LYS A 18 -2.356 1.873 -15.017 1.00 0.00 C ATOM 262 O LYS A 18 -2.753 2.798 -15.731 1.00 0.00 O ATOM 263 CB LYS A 18 -2.381 0.481 -17.114 1.00 0.00 C ATOM 264 CG LYS A 18 -2.172 -0.875 -17.775 1.00 0.00 C ATOM 265 CD LYS A 18 -3.496 -1.559 -18.088 1.00 0.00 C ATOM 266 CE LYS A 18 -3.477 -2.222 -19.458 1.00 0.00 C ATOM 267 NZ LYS A 18 -3.827 -1.267 -20.549 1.00 0.00 N ATOM 0 H LYS A 18 -2.336 -1.332 -14.590 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.036 0.252 -15.449 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.411 0.799 -17.276 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.740 1.215 -17.601 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.602 -0.747 -18.695 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.579 -1.512 -17.119 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.708 -2.307 -17.324 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.302 -0.826 -18.049 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.487 -2.638 -19.645 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.180 -3.055 -19.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.802 -1.761 -21.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.782 -0.889 -20.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.142 -0.485 -20.559 1.00 0.00 H new ATOM 281 N GLN A 19 -2.133 2.014 -13.709 1.00 0.00 N ATOM 282 CA GLN A 19 -2.344 3.289 -13.024 1.00 0.00 C ATOM 283 C GLN A 19 -1.294 3.503 -11.933 1.00 0.00 C ATOM 284 O GLN A 19 -1.197 2.711 -10.994 1.00 0.00 O ATOM 285 CB GLN A 19 -3.750 3.345 -12.414 1.00 0.00 C ATOM 286 CG GLN A 19 -4.820 3.830 -13.383 1.00 0.00 C ATOM 287 CD GLN A 19 -5.412 5.169 -12.979 1.00 0.00 C ATOM 288 OE1 GLN A 19 -4.752 6.203 -13.072 1.00 0.00 O ATOM 289 NE2 GLN A 19 -6.664 5.159 -12.530 1.00 0.00 N ATOM 0 H GLN A 19 -1.806 1.261 -13.104 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.246 4.086 -13.761 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.021 2.352 -12.056 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.734 4.004 -11.546 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.390 3.914 -14.381 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.616 3.088 -13.440 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.177 4.279 -12.468 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.111 6.031 -12.247 1.00 0.00 H new ATOM 298 N ARG A 20 -0.511 4.576 -12.065 1.00 0.00 N ATOM 299 CA ARG A 20 0.532 4.891 -11.088 1.00 0.00 C ATOM 300 C ARG A 20 -0.078 5.400 -9.782 1.00 0.00 C ATOM 301 O ARG A 20 -0.066 4.698 -8.771 1.00 0.00 O ATOM 302 CB ARG A 20 1.505 5.935 -11.655 1.00 0.00 C ATOM 303 CG ARG A 20 2.807 5.344 -12.170 1.00 0.00 C ATOM 304 CD ARG A 20 3.910 6.391 -12.240 1.00 0.00 C ATOM 305 NE ARG A 20 3.984 7.028 -13.555 1.00 0.00 N ATOM 306 CZ ARG A 20 4.575 6.480 -14.622 1.00 0.00 C ATOM 307 NH1 ARG A 20 5.140 5.277 -14.540 1.00 0.00 N ATOM 308 NH2 ARG A 20 4.597 7.137 -15.777 1.00 0.00 N ATOM 0 H ARG A 20 -0.579 5.239 -12.837 1.00 0.00 H new ATOM 0 HA ARG A 20 1.082 3.974 -10.878 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.014 6.472 -12.467 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.731 6.667 -10.879 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.120 4.528 -11.518 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.647 4.917 -13.160 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.736 7.152 -11.479 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.868 5.924 -12.010 1.00 0.00 H new ATOM 0 HE ARG A 20 3.558 7.948 -13.665 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.124 4.765 -13.658 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.588 4.867 -15.359 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.164 8.058 -15.848 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.047 6.721 -16.592 1.00 0.00 H new ATOM 322 N VAL A 21 -0.606 6.625 -9.811 1.00 0.00 N ATOM 323 CA VAL A 21 -1.216 7.232 -8.628 1.00 0.00 C ATOM 324 C VAL A 21 -2.626 6.690 -8.388 1.00 0.00 C ATOM 325 O VAL A 21 -3.404 6.512 -9.328 1.00 0.00 O ATOM 326 CB VAL A 21 -1.281 8.771 -8.747 1.00 0.00 C ATOM 327 CG1 VAL A 21 -1.738 9.397 -7.436 1.00 0.00 C ATOM 328 CG2 VAL A 21 0.069 9.337 -9.169 1.00 0.00 C ATOM 0 H VAL A 21 -0.623 7.216 -10.642 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.581 6.969 -7.782 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.012 9.020 -9.516 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.776 10.481 -7.544 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.729 9.023 -7.180 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.036 9.136 -6.644 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.000 10.422 -9.247 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.822 9.073 -8.427 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.352 8.921 -10.136 1.00 0.00 H new ATOM 338 N HIS A 22 -2.946 6.432 -7.119 1.00 0.00 N ATOM 339 CA HIS A 22 -4.257 5.912 -6.740 1.00 0.00 C ATOM 340 C HIS A 22 -4.701 6.463 -5.382 1.00 0.00 C ATOM 341 O HIS A 22 -3.883 6.647 -4.478 1.00 0.00 O ATOM 342 CB HIS A 22 -4.222 4.382 -6.691 1.00 0.00 C ATOM 343 CG HIS A 22 -4.657 3.725 -7.968 1.00 0.00 C ATOM 344 ND1 HIS A 22 -4.240 2.466 -8.345 1.00 0.00 N ATOM 345 CD2 HIS A 22 -5.482 4.157 -8.953 1.00 0.00 C ATOM 346 CE1 HIS A 22 -4.788 2.152 -9.506 1.00 0.00 C ATOM 347 NE2 HIS A 22 -5.546 3.160 -9.895 1.00 0.00 N ATOM 0 H HIS A 22 -2.311 6.576 -6.334 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.977 6.235 -7.492 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -3.208 4.058 -6.454 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.864 4.039 -5.880 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.993 5.108 -8.990 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -4.641 1.228 -10.045 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -6.091 3.193 -10.756 1.00 0.00 H new ATOM 356 N LYS A 23 -6.005 6.718 -5.246 1.00 0.00 N ATOM 357 CA LYS A 23 -6.564 7.239 -3.997 1.00 0.00 C ATOM 358 C LYS A 23 -7.388 6.170 -3.282 1.00 0.00 C ATOM 359 O LYS A 23 -8.307 5.591 -3.866 1.00 0.00 O ATOM 360 CB LYS A 23 -7.433 8.471 -4.268 1.00 0.00 C ATOM 361 CG LYS A 23 -6.693 9.787 -4.096 1.00 0.00 C ATOM 362 CD LYS A 23 -6.253 10.358 -5.434 1.00 0.00 C ATOM 363 CE LYS A 23 -6.062 11.866 -5.364 1.00 0.00 C ATOM 364 NZ LYS A 23 -5.132 12.359 -6.418 1.00 0.00 N ATOM 0 H LYS A 23 -6.693 6.572 -5.985 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.733 7.527 -3.353 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.824 8.413 -5.284 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.291 8.455 -3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.337 10.504 -3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.821 9.635 -3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.320 9.886 -5.742 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.997 10.120 -6.194 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.028 12.359 -5.473 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.674 12.137 -4.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.816 13.321 -6.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.307 11.728 -6.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.622 12.373 -7.335 1.00 0.00 H new ATOM 378 N ILE A 24 -7.052 5.911 -2.018 1.00 0.00 N ATOM 379 CA ILE A 24 -7.761 4.905 -1.229 1.00 0.00 C ATOM 380 C ILE A 24 -8.533 5.540 -0.072 1.00 0.00 C ATOM 381 O ILE A 24 -8.088 6.527 0.518 1.00 0.00 O ATOM 382 CB ILE A 24 -6.794 3.841 -0.662 1.00 0.00 C ATOM 383 CG1 ILE A 24 -5.821 3.358 -1.745 1.00 0.00 C ATOM 384 CG2 ILE A 24 -7.573 2.665 -0.086 1.00 0.00 C ATOM 385 CD1 ILE A 24 -6.502 2.772 -2.965 1.00 0.00 C ATOM 0 H ILE A 24 -6.296 6.382 -1.521 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.465 4.423 -1.907 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.215 4.300 0.139 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.196 4.194 -2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.158 2.607 -1.315 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.876 1.925 0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.222 3.016 0.716 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.179 2.211 -0.870 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.748 2.454 -3.685 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.105 1.914 -2.668 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.143 3.526 -3.421 1.00 0.00 H new ATOM 397 N LYS A 25 -9.689 4.956 0.248 1.00 0.00 N ATOM 398 CA LYS A 25 -10.534 5.442 1.338 1.00 0.00 C ATOM 399 C LYS A 25 -10.872 4.297 2.297 1.00 0.00 C ATOM 400 O LYS A 25 -11.809 3.532 2.054 1.00 0.00 O ATOM 401 CB LYS A 25 -11.824 6.059 0.781 1.00 0.00 C ATOM 402 CG LYS A 25 -11.598 7.302 -0.068 1.00 0.00 C ATOM 403 CD LYS A 25 -12.096 7.107 -1.493 1.00 0.00 C ATOM 404 CE LYS A 25 -10.977 6.660 -2.420 1.00 0.00 C ATOM 405 NZ LYS A 25 -11.494 6.219 -3.746 1.00 0.00 N ATOM 0 H LYS A 25 -10.063 4.140 -0.237 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.986 6.210 1.884 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.343 5.311 0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.481 6.314 1.612 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.112 8.150 0.384 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.535 7.544 -0.084 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.895 6.365 -1.502 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.523 8.040 -1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.273 7.480 -2.560 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.426 5.842 -1.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.699 5.923 -4.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.147 5.420 -3.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.998 7.007 -4.202 1.00 0.00 H new ATOM 419 N MET A 26 -10.095 4.174 3.377 1.00 0.00 N ATOM 420 CA MET A 26 -10.305 3.110 4.364 1.00 0.00 C ATOM 421 C MET A 26 -11.669 3.233 5.044 1.00 0.00 C ATOM 422 O MET A 26 -12.524 2.360 4.891 1.00 0.00 O ATOM 423 CB MET A 26 -9.188 3.125 5.416 1.00 0.00 C ATOM 424 CG MET A 26 -8.581 1.756 5.681 1.00 0.00 C ATOM 425 SD MET A 26 -9.807 0.541 6.205 1.00 0.00 S ATOM 426 CE MET A 26 -8.996 -0.986 5.736 1.00 0.00 C ATOM 0 H MET A 26 -9.316 4.797 3.590 1.00 0.00 H new ATOM 0 HA MET A 26 -10.281 2.159 3.831 1.00 0.00 H new ATOM 0 HB2 MET A 26 -8.401 3.804 5.088 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.585 3.524 6.349 1.00 0.00 H new ATOM 0 HG2 MET A 26 -8.087 1.401 4.777 1.00 0.00 H new ATOM 0 HG3 MET A 26 -7.813 1.846 6.449 1.00 0.00 H new ATOM 0 HE1 MET A 26 -9.370 -1.802 6.355 1.00 0.00 H new ATOM 0 HE2 MET A 26 -9.203 -1.201 4.688 1.00 0.00 H new ATOM 0 HE3 MET A 26 -7.920 -0.886 5.880 1.00 0.00 H new ATOM 436 N ASP A 27 -11.858 4.323 5.789 1.00 0.00 N ATOM 437 CA ASP A 27 -13.111 4.588 6.504 1.00 0.00 C ATOM 438 C ASP A 27 -13.450 3.470 7.493 1.00 0.00 C ATOM 439 O ASP A 27 -14.006 2.437 7.115 1.00 0.00 O ATOM 440 CB ASP A 27 -14.268 4.780 5.518 1.00 0.00 C ATOM 441 CG ASP A 27 -15.534 5.262 6.202 1.00 0.00 C ATOM 442 OD1 ASP A 27 -15.686 6.489 6.373 1.00 0.00 O ATOM 443 OD2 ASP A 27 -16.370 4.412 6.576 1.00 0.00 O ATOM 0 H ASP A 27 -11.150 5.046 5.915 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.968 5.508 7.071 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -13.975 5.499 4.753 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -14.469 3.837 5.009 1.00 0.00 H new ATOM 448 N LYS A 28 -13.127 3.697 8.767 1.00 0.00 N ATOM 449 CA LYS A 28 -13.410 2.724 9.824 1.00 0.00 C ATOM 450 C LYS A 28 -13.106 3.307 11.204 1.00 0.00 C ATOM 451 O LYS A 28 -13.905 3.173 12.131 1.00 0.00 O ATOM 452 CB LYS A 28 -12.609 1.432 9.606 1.00 0.00 C ATOM 453 CG LYS A 28 -13.311 0.177 10.116 1.00 0.00 C ATOM 454 CD LYS A 28 -14.511 -0.193 9.254 1.00 0.00 C ATOM 455 CE LYS A 28 -15.812 0.350 9.834 1.00 0.00 C ATOM 456 NZ LYS A 28 -16.896 -0.675 9.852 1.00 0.00 N ATOM 0 H LYS A 28 -12.668 4.548 9.093 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.473 2.486 9.779 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.407 1.316 8.541 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.644 1.525 10.105 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.605 -0.653 10.131 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.638 0.336 11.144 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.370 0.199 8.247 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.576 -1.278 9.167 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.634 0.705 10.849 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.138 1.209 9.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.760 -0.259 10.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.086 -0.996 8.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.598 -1.485 10.433 1.00 0.00 H new ATOM 470 N GLU A 29 -11.949 3.955 11.328 1.00 0.00 N ATOM 471 CA GLU A 29 -11.530 4.565 12.589 1.00 0.00 C ATOM 472 C GLU A 29 -10.637 5.779 12.335 1.00 0.00 C ATOM 473 O GLU A 29 -10.354 6.122 11.185 1.00 0.00 O ATOM 474 CB GLU A 29 -10.774 3.540 13.439 1.00 0.00 C ATOM 475 CG GLU A 29 -11.150 3.565 14.914 1.00 0.00 C ATOM 476 CD GLU A 29 -10.715 2.312 15.653 1.00 0.00 C ATOM 477 OE1 GLU A 29 -10.821 1.209 15.075 1.00 0.00 O ATOM 478 OE2 GLU A 29 -10.268 2.435 16.813 1.00 0.00 O ATOM 0 H GLU A 29 -11.281 4.072 10.566 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.422 4.894 13.122 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.964 2.543 13.042 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.704 3.722 13.344 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.695 4.436 15.386 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.230 3.680 15.007 1.00 0.00 H new ATOM 485 N ASP A 30 -10.186 6.422 13.414 1.00 0.00 N ATOM 486 CA ASP A 30 -9.313 7.588 13.299 1.00 0.00 C ATOM 487 C ASP A 30 -7.855 7.158 13.110 1.00 0.00 C ATOM 488 O ASP A 30 -7.230 7.511 12.108 1.00 0.00 O ATOM 489 CB ASP A 30 -9.443 8.494 14.530 1.00 0.00 C ATOM 490 CG ASP A 30 -10.424 9.633 14.317 1.00 0.00 C ATOM 491 OD1 ASP A 30 -10.318 10.325 13.281 1.00 0.00 O ATOM 492 OD2 ASP A 30 -11.295 9.835 15.188 1.00 0.00 O ATOM 0 H ASP A 30 -10.411 6.155 14.373 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.625 8.153 12.421 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.765 7.897 15.383 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.464 8.904 14.779 1.00 0.00 H new ATOM 497 N PRO A 31 -7.287 6.384 14.065 1.00 0.00 N ATOM 498 CA PRO A 31 -5.899 5.915 13.977 1.00 0.00 C ATOM 499 C PRO A 31 -5.737 4.730 13.017 1.00 0.00 C ATOM 500 O PRO A 31 -5.259 3.662 13.406 1.00 0.00 O ATOM 501 CB PRO A 31 -5.590 5.496 15.415 1.00 0.00 C ATOM 502 CG PRO A 31 -6.902 5.052 15.964 1.00 0.00 C ATOM 503 CD PRO A 31 -7.950 5.906 15.300 1.00 0.00 C ATOM 0 HA PRO A 31 -5.229 6.679 13.584 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.855 4.692 15.445 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.179 6.325 15.991 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.073 3.996 15.756 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.931 5.173 17.047 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.849 5.333 15.075 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.253 6.736 15.938 1.00 0.00 H new ATOM 511 N VAL A 32 -6.132 4.931 11.758 1.00 0.00 N ATOM 512 CA VAL A 32 -6.025 3.886 10.742 1.00 0.00 C ATOM 513 C VAL A 32 -4.566 3.661 10.359 1.00 0.00 C ATOM 514 O VAL A 32 -3.917 4.557 9.825 1.00 0.00 O ATOM 515 CB VAL A 32 -6.827 4.239 9.470 1.00 0.00 C ATOM 516 CG1 VAL A 32 -6.841 3.064 8.504 1.00 0.00 C ATOM 517 CG2 VAL A 32 -8.246 4.663 9.824 1.00 0.00 C ATOM 0 H VAL A 32 -6.528 5.808 11.419 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.441 2.977 11.175 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.336 5.080 8.980 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.411 3.331 7.614 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.819 2.815 8.219 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.304 2.203 8.986 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.791 4.907 8.912 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.751 3.847 10.342 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.213 5.539 10.472 1.00 0.00 H new ATOM 527 N THR A 33 -4.055 2.464 10.636 1.00 0.00 N ATOM 528 CA THR A 33 -2.666 2.137 10.317 1.00 0.00 C ATOM 529 C THR A 33 -2.489 1.899 8.822 1.00 0.00 C ATOM 530 O THR A 33 -3.441 1.558 8.119 1.00 0.00 O ATOM 531 CB THR A 33 -2.208 0.905 11.105 1.00 0.00 C ATOM 532 OG1 THR A 33 -2.951 -0.242 10.726 1.00 0.00 O ATOM 533 CG2 THR A 33 -2.343 1.065 12.607 1.00 0.00 C ATOM 0 H THR A 33 -4.577 1.708 11.078 1.00 0.00 H new ATOM 0 HA THR A 33 -2.048 2.988 10.604 1.00 0.00 H new ATOM 0 HB THR A 33 -1.152 0.788 10.863 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.641 -1.017 11.240 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.001 0.156 13.102 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.738 1.909 12.939 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.387 1.246 12.861 1.00 0.00 H new ATOM 541 N VAL A 34 -1.261 2.081 8.341 1.00 0.00 N ATOM 542 CA VAL A 34 -0.955 1.885 6.926 1.00 0.00 C ATOM 543 C VAL A 34 -1.310 0.468 6.469 1.00 0.00 C ATOM 544 O VAL A 34 -1.709 0.262 5.319 1.00 0.00 O ATOM 545 CB VAL A 34 0.526 2.178 6.625 1.00 0.00 C ATOM 546 CG1 VAL A 34 1.436 1.157 7.286 1.00 0.00 C ATOM 547 CG2 VAL A 34 0.771 2.234 5.123 1.00 0.00 C ATOM 0 H VAL A 34 -0.463 2.364 8.910 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.568 2.593 6.368 1.00 0.00 H new ATOM 0 HB VAL A 34 0.765 3.155 7.046 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.475 1.392 7.054 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.290 1.185 8.366 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.197 0.161 6.913 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.824 2.442 4.934 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.504 1.277 4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.160 3.023 4.684 1.00 0.00 H new ATOM 557 N GLY A 35 -1.187 -0.500 7.384 1.00 0.00 N ATOM 558 CA GLY A 35 -1.526 -1.875 7.065 1.00 0.00 C ATOM 559 C GLY A 35 -2.974 -2.015 6.623 1.00 0.00 C ATOM 560 O GLY A 35 -3.313 -2.934 5.877 1.00 0.00 O ATOM 0 H GLY A 35 -0.858 -0.351 8.338 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.869 -2.237 6.274 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.351 -2.504 7.938 1.00 0.00 H new ATOM 564 N ASP A 36 -3.827 -1.086 7.070 1.00 0.00 N ATOM 565 CA ASP A 36 -5.239 -1.098 6.701 1.00 0.00 C ATOM 566 C ASP A 36 -5.415 -0.610 5.264 1.00 0.00 C ATOM 567 O ASP A 36 -6.223 -1.152 4.509 1.00 0.00 O ATOM 568 CB ASP A 36 -6.061 -0.222 7.655 1.00 0.00 C ATOM 569 CG ASP A 36 -6.805 -1.031 8.702 1.00 0.00 C ATOM 570 OD1 ASP A 36 -7.430 -2.050 8.337 1.00 0.00 O ATOM 571 OD2 ASP A 36 -6.765 -0.642 9.887 1.00 0.00 O ATOM 0 H ASP A 36 -3.560 -0.319 7.687 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.600 -2.124 6.776 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.398 0.486 8.153 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.777 0.363 7.078 1.00 0.00 H new ATOM 576 N LEU A 37 -4.639 0.411 4.893 1.00 0.00 N ATOM 577 CA LEU A 37 -4.689 0.974 3.546 1.00 0.00 C ATOM 578 C LEU A 37 -4.465 -0.118 2.504 1.00 0.00 C ATOM 579 O LEU A 37 -5.296 -0.315 1.615 1.00 0.00 O ATOM 580 CB LEU A 37 -3.636 2.078 3.392 1.00 0.00 C ATOM 581 CG LEU A 37 -4.012 3.219 2.443 1.00 0.00 C ATOM 582 CD1 LEU A 37 -4.036 2.732 1.003 1.00 0.00 C ATOM 583 CD2 LEU A 37 -5.356 3.821 2.833 1.00 0.00 C ATOM 0 H LEU A 37 -3.966 0.865 5.511 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.676 1.408 3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.430 2.500 4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.709 1.626 3.039 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.254 3.998 2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.305 3.558 0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.050 2.356 0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.770 1.933 0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.605 4.630 2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.127 3.052 2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.299 4.212 3.849 1.00 0.00 H new ATOM 595 N ILE A 38 -3.345 -0.836 2.629 1.00 0.00 N ATOM 596 CA ILE A 38 -3.027 -1.918 1.706 1.00 0.00 C ATOM 597 C ILE A 38 -4.098 -3.005 1.762 1.00 0.00 C ATOM 598 O ILE A 38 -4.441 -3.603 0.740 1.00 0.00 O ATOM 599 CB ILE A 38 -1.643 -2.542 1.998 1.00 0.00 C ATOM 600 CG1 ILE A 38 -1.466 -2.840 3.492 1.00 0.00 C ATOM 601 CG2 ILE A 38 -0.532 -1.629 1.500 1.00 0.00 C ATOM 602 CD1 ILE A 38 -0.304 -3.765 3.791 1.00 0.00 C ATOM 0 H ILE A 38 -2.649 -0.685 3.359 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.999 -1.484 0.707 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.585 -3.489 1.462 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.320 -1.901 4.027 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.383 -3.286 3.876 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.435 -2.083 1.714 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.635 -1.484 0.425 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.599 -0.665 2.005 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.239 -3.932 4.866 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.458 -4.718 3.285 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.622 -3.312 3.437 1.00 0.00 H new ATOM 614 N ASP A 39 -4.633 -3.243 2.962 1.00 0.00 N ATOM 615 CA ASP A 39 -5.677 -4.244 3.157 1.00 0.00 C ATOM 616 C ASP A 39 -6.942 -3.862 2.394 1.00 0.00 C ATOM 617 O ASP A 39 -7.603 -4.719 1.812 1.00 0.00 O ATOM 618 CB ASP A 39 -5.994 -4.408 4.648 1.00 0.00 C ATOM 619 CG ASP A 39 -5.637 -5.786 5.171 1.00 0.00 C ATOM 620 OD1 ASP A 39 -4.478 -6.213 4.980 1.00 0.00 O ATOM 621 OD2 ASP A 39 -6.515 -6.438 5.774 1.00 0.00 O ATOM 0 H ASP A 39 -4.358 -2.753 3.813 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.310 -5.194 2.769 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.449 -3.655 5.217 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.056 -4.225 4.812 1.00 0.00 H new ATOM 626 N HIS A 40 -7.271 -2.569 2.397 1.00 0.00 N ATOM 627 CA HIS A 40 -8.457 -2.078 1.699 1.00 0.00 C ATOM 628 C HIS A 40 -8.365 -2.358 0.199 1.00 0.00 C ATOM 629 O HIS A 40 -9.354 -2.736 -0.430 1.00 0.00 O ATOM 630 CB HIS A 40 -8.639 -0.579 1.940 1.00 0.00 C ATOM 631 CG HIS A 40 -10.062 -0.125 1.819 1.00 0.00 C ATOM 632 ND1 HIS A 40 -11.018 0.056 2.761 1.00 0.00 N flip ATOM 633 CD2 HIS A 40 -10.649 0.202 0.614 1.00 0.00 C flip ATOM 634 CE1 HIS A 40 -12.151 0.484 2.115 1.00 0.00 C flip ATOM 635 NE2 HIS A 40 -11.903 0.565 0.821 1.00 0.00 N flip ATOM 0 H HIS A 40 -6.733 -1.846 2.874 1.00 0.00 H new ATOM 0 HA HIS A 40 -9.322 -2.608 2.097 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.270 -0.331 2.935 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.027 -0.027 1.226 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -10.915 -0.097 3.764 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.160 0.167 -0.348 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.093 0.717 2.589 1.00 0.00 H new ATOM 644 N ILE A 41 -7.170 -2.180 -0.366 1.00 0.00 N ATOM 645 CA ILE A 41 -6.949 -2.428 -1.789 1.00 0.00 C ATOM 646 C ILE A 41 -7.071 -3.920 -2.099 1.00 0.00 C ATOM 647 O ILE A 41 -7.479 -4.304 -3.193 1.00 0.00 O ATOM 648 CB ILE A 41 -5.561 -1.927 -2.248 1.00 0.00 C ATOM 649 CG1 ILE A 41 -5.338 -0.477 -1.804 1.00 0.00 C ATOM 650 CG2 ILE A 41 -5.421 -2.047 -3.761 1.00 0.00 C ATOM 651 CD1 ILE A 41 -3.925 -0.192 -1.341 1.00 0.00 C ATOM 0 H ILE A 41 -6.342 -1.865 0.140 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.715 -1.875 -2.333 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.800 -2.552 -1.781 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.580 0.189 -2.632 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.030 -0.244 -0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.437 -1.689 -4.065 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.535 -3.090 -4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.191 -1.447 -4.246 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.844 0.853 -1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.684 -0.831 -0.492 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.228 -0.392 -2.155 1.00 0.00 H new ATOM 663 N VAL A 42 -6.715 -4.755 -1.126 1.00 0.00 N ATOM 664 CA VAL A 42 -6.783 -6.204 -1.291 1.00 0.00 C ATOM 665 C VAL A 42 -8.126 -6.773 -0.800 1.00 0.00 C ATOM 666 O VAL A 42 -8.384 -7.969 -0.945 1.00 0.00 O ATOM 667 CB VAL A 42 -5.626 -6.895 -0.532 1.00 0.00 C ATOM 668 CG1 VAL A 42 -5.643 -8.401 -0.756 1.00 0.00 C ATOM 669 CG2 VAL A 42 -4.285 -6.306 -0.950 1.00 0.00 C ATOM 0 H VAL A 42 -6.376 -4.452 -0.213 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.693 -6.408 -2.358 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.768 -6.713 0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.818 -8.859 -0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.587 -8.811 -0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.536 -8.612 -1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.483 -6.805 -0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.142 -6.451 -2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.269 -5.240 -0.723 1.00 0.00 H new ATOM 679 N SER A 43 -8.977 -5.923 -0.214 1.00 0.00 N ATOM 680 CA SER A 43 -10.273 -6.373 0.295 1.00 0.00 C ATOM 681 C SER A 43 -11.411 -6.041 -0.672 1.00 0.00 C ATOM 682 O SER A 43 -12.103 -6.938 -1.154 1.00 0.00 O ATOM 683 CB SER A 43 -10.551 -5.760 1.675 1.00 0.00 C ATOM 684 OG SER A 43 -10.714 -4.353 1.594 1.00 0.00 O ATOM 0 H SER A 43 -8.792 -4.929 -0.082 1.00 0.00 H new ATOM 0 HA SER A 43 -10.227 -7.458 0.390 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.450 -6.208 2.099 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.729 -5.994 2.351 1.00 0.00 H new ATOM 0 HG SER A 43 -10.859 -3.988 2.492 1.00 0.00 H new ATOM 690 N THR A 44 -11.611 -4.753 -0.945 1.00 0.00 N ATOM 691 CA THR A 44 -12.680 -4.319 -1.846 1.00 0.00 C ATOM 692 C THR A 44 -12.145 -4.006 -3.243 1.00 0.00 C ATOM 693 O THR A 44 -12.674 -4.500 -4.241 1.00 0.00 O ATOM 694 CB THR A 44 -13.401 -3.097 -1.271 1.00 0.00 C ATOM 695 OG1 THR A 44 -13.787 -3.330 0.074 1.00 0.00 O ATOM 696 CG2 THR A 44 -14.645 -2.719 -2.048 1.00 0.00 C ATOM 0 H THR A 44 -11.050 -3.994 -0.558 1.00 0.00 H new ATOM 0 HA THR A 44 -13.389 -5.142 -1.936 1.00 0.00 H new ATOM 0 HB THR A 44 -12.686 -2.278 -1.339 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.245 -2.538 0.425 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.109 -1.846 -1.589 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.374 -2.487 -3.078 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.348 -3.552 -2.037 1.00 0.00 H new ATOM 704 N MET A 45 -11.098 -3.182 -3.309 1.00 0.00 N ATOM 705 CA MET A 45 -10.493 -2.801 -4.585 1.00 0.00 C ATOM 706 C MET A 45 -10.134 -4.034 -5.420 1.00 0.00 C ATOM 707 O MET A 45 -10.364 -4.057 -6.630 1.00 0.00 O ATOM 708 CB MET A 45 -9.244 -1.944 -4.346 1.00 0.00 C ATOM 709 CG MET A 45 -8.919 -0.995 -5.489 1.00 0.00 C ATOM 710 SD MET A 45 -7.588 -1.609 -6.538 1.00 0.00 S ATOM 711 CE MET A 45 -7.630 -0.419 -7.875 1.00 0.00 C ATOM 0 H MET A 45 -10.651 -2.765 -2.492 1.00 0.00 H new ATOM 0 HA MET A 45 -11.225 -2.217 -5.142 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.383 -1.364 -3.434 1.00 0.00 H new ATOM 0 HB3 MET A 45 -8.391 -2.602 -4.179 1.00 0.00 H new ATOM 0 HG2 MET A 45 -9.812 -0.841 -6.094 1.00 0.00 H new ATOM 0 HG3 MET A 45 -8.638 -0.024 -5.082 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.861 -0.667 -8.607 1.00 0.00 H new ATOM 0 HE2 MET A 45 -8.609 -0.445 -8.354 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.446 0.580 -7.479 1.00 0.00 H new ATOM 721 N ILE A 46 -9.575 -5.058 -4.768 1.00 0.00 N ATOM 722 CA ILE A 46 -9.194 -6.291 -5.452 1.00 0.00 C ATOM 723 C ILE A 46 -9.722 -7.513 -4.705 1.00 0.00 C ATOM 724 O ILE A 46 -9.524 -7.642 -3.496 1.00 0.00 O ATOM 725 CB ILE A 46 -7.661 -6.419 -5.592 1.00 0.00 C ATOM 726 CG1 ILE A 46 -7.051 -5.120 -6.120 1.00 0.00 C ATOM 727 CG2 ILE A 46 -7.305 -7.578 -6.510 1.00 0.00 C ATOM 728 CD1 ILE A 46 -5.630 -4.893 -5.659 1.00 0.00 C ATOM 0 H ILE A 46 -9.377 -5.055 -3.767 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.637 -6.246 -6.447 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.247 -6.615 -4.603 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.074 -5.133 -7.210 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.668 -4.281 -5.799 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.221 -7.653 -6.597 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.701 -8.505 -6.096 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.737 -7.407 -7.496 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.260 -3.954 -6.070 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.604 -4.848 -4.570 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.000 -5.713 -6.003 1.00 0.00 H new ATOM 740 N ASN A 47 -10.389 -8.409 -5.430 1.00 0.00 N ATOM 741 CA ASN A 47 -10.940 -9.624 -4.833 1.00 0.00 C ATOM 742 C ASN A 47 -10.912 -10.781 -5.833 1.00 0.00 C ATOM 743 O ASN A 47 -11.960 -11.282 -6.249 1.00 0.00 O ATOM 744 CB ASN A 47 -12.376 -9.372 -4.346 1.00 0.00 C ATOM 745 CG ASN A 47 -12.671 -10.031 -3.007 1.00 0.00 C ATOM 746 OD1 ASN A 47 -13.242 -9.409 -2.114 1.00 0.00 O ATOM 747 ND2 ASN A 47 -12.289 -11.297 -2.860 1.00 0.00 N ATOM 0 H ASN A 47 -10.561 -8.317 -6.431 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.322 -9.898 -3.978 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.542 -8.298 -4.261 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -13.078 -9.745 -5.092 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -12.468 -11.785 -1.982 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.817 -11.780 -3.625 1.00 0.00 H new ATOM 754 N ASN A 48 -9.708 -11.202 -6.222 1.00 0.00 N ATOM 755 CA ASN A 48 -9.553 -12.297 -7.178 1.00 0.00 C ATOM 756 C ASN A 48 -8.243 -13.051 -6.950 1.00 0.00 C ATOM 757 O ASN A 48 -7.178 -12.439 -6.841 1.00 0.00 O ATOM 758 CB ASN A 48 -9.599 -11.758 -8.610 1.00 0.00 C ATOM 759 CG ASN A 48 -10.162 -12.770 -9.589 1.00 0.00 C ATOM 760 OD1 ASN A 48 -11.322 -12.682 -9.989 1.00 0.00 O ATOM 761 ND2 ASN A 48 -9.345 -13.743 -9.978 1.00 0.00 N ATOM 0 H ASN A 48 -8.830 -10.803 -5.891 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.378 -12.993 -7.027 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.207 -10.854 -8.636 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.594 -11.475 -8.922 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.673 -14.453 -10.632 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.390 -13.780 -9.622 1.00 0.00 H new ATOM 768 N PRO A 49 -8.303 -14.399 -6.885 1.00 0.00 N ATOM 769 CA PRO A 49 -7.114 -15.235 -6.678 1.00 0.00 C ATOM 770 C PRO A 49 -6.215 -15.276 -7.913 1.00 0.00 C ATOM 771 O PRO A 49 -6.171 -16.276 -8.634 1.00 0.00 O ATOM 772 CB PRO A 49 -7.698 -16.618 -6.386 1.00 0.00 C ATOM 773 CG PRO A 49 -9.014 -16.624 -7.083 1.00 0.00 C ATOM 774 CD PRO A 49 -9.532 -15.213 -7.013 1.00 0.00 C ATOM 0 HA PRO A 49 -6.478 -14.854 -5.879 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.048 -17.410 -6.759 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.816 -16.781 -5.315 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.905 -16.948 -8.118 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.705 -17.317 -6.603 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.097 -14.948 -7.907 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -10.197 -15.072 -6.161 1.00 0.00 H new ATOM 782 N ASN A 50 -5.501 -14.178 -8.145 1.00 0.00 N ATOM 783 CA ASN A 50 -4.593 -14.065 -9.286 1.00 0.00 C ATOM 784 C ASN A 50 -3.701 -12.833 -9.141 1.00 0.00 C ATOM 785 O ASN A 50 -2.484 -12.917 -9.305 1.00 0.00 O ATOM 786 CB ASN A 50 -5.376 -13.989 -10.603 1.00 0.00 C ATOM 787 CG ASN A 50 -4.834 -14.945 -11.649 1.00 0.00 C ATOM 788 OD1 ASN A 50 -5.465 -15.950 -11.975 1.00 0.00 O ATOM 789 ND2 ASN A 50 -3.657 -14.634 -12.181 1.00 0.00 N ATOM 0 H ASN A 50 -5.533 -13.347 -7.554 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.966 -14.957 -9.305 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.425 -14.217 -10.414 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -5.336 -12.970 -10.989 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.242 -15.239 -12.890 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.169 -13.790 -11.881 1.00 0.00 H new ATOM 796 N ASP A 51 -4.321 -11.696 -8.821 1.00 0.00 N ATOM 797 CA ASP A 51 -3.595 -10.438 -8.636 1.00 0.00 C ATOM 798 C ASP A 51 -3.264 -10.213 -7.162 1.00 0.00 C ATOM 799 O ASP A 51 -2.185 -9.724 -6.827 1.00 0.00 O ATOM 800 CB ASP A 51 -4.409 -9.244 -9.167 1.00 0.00 C ATOM 801 CG ASP A 51 -5.914 -9.429 -9.048 1.00 0.00 C ATOM 802 OD1 ASP A 51 -6.378 -9.891 -7.985 1.00 0.00 O ATOM 803 OD2 ASP A 51 -6.629 -9.111 -10.018 1.00 0.00 O ATOM 0 H ASP A 51 -5.329 -11.620 -8.684 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.667 -10.511 -9.203 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.118 -8.346 -8.622 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.154 -9.078 -10.214 1.00 0.00 H new ATOM 808 N VAL A 52 -4.203 -10.565 -6.284 1.00 0.00 N ATOM 809 CA VAL A 52 -4.013 -10.395 -4.850 1.00 0.00 C ATOM 810 C VAL A 52 -3.221 -11.560 -4.249 1.00 0.00 C ATOM 811 O VAL A 52 -2.403 -11.356 -3.355 1.00 0.00 O ATOM 812 CB VAL A 52 -5.372 -10.239 -4.129 1.00 0.00 C ATOM 813 CG1 VAL A 52 -5.341 -10.840 -2.732 1.00 0.00 C ATOM 814 CG2 VAL A 52 -5.768 -8.773 -4.073 1.00 0.00 C ATOM 0 H VAL A 52 -5.102 -10.970 -6.544 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.435 -9.483 -4.702 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.120 -10.788 -4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.314 -10.710 -2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.109 -11.903 -2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.578 -10.338 -2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.726 -8.674 -3.563 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.008 -8.211 -3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.854 -8.380 -5.086 1.00 0.00 H new ATOM 824 N SER A 53 -3.466 -12.777 -4.741 1.00 0.00 N ATOM 825 CA SER A 53 -2.764 -13.962 -4.240 1.00 0.00 C ATOM 826 C SER A 53 -1.247 -13.765 -4.288 1.00 0.00 C ATOM 827 O SER A 53 -0.537 -14.124 -3.348 1.00 0.00 O ATOM 828 CB SER A 53 -3.153 -15.203 -5.050 1.00 0.00 C ATOM 829 OG SER A 53 -2.930 -16.389 -4.306 1.00 0.00 O ATOM 0 H SER A 53 -4.141 -12.968 -5.482 1.00 0.00 H new ATOM 0 HA SER A 53 -3.061 -14.109 -3.202 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.203 -15.141 -5.335 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.574 -15.235 -5.973 1.00 0.00 H new ATOM 0 HG SER A 53 -3.188 -17.166 -4.844 1.00 0.00 H new ATOM 835 N ILE A 54 -0.756 -13.190 -5.387 1.00 0.00 N ATOM 836 CA ILE A 54 0.671 -12.945 -5.553 1.00 0.00 C ATOM 837 C ILE A 54 1.118 -11.688 -4.801 1.00 0.00 C ATOM 838 O ILE A 54 2.233 -11.635 -4.282 1.00 0.00 O ATOM 839 CB ILE A 54 1.053 -12.814 -7.042 1.00 0.00 C ATOM 840 CG1 ILE A 54 0.099 -11.864 -7.775 1.00 0.00 C ATOM 841 CG2 ILE A 54 1.066 -14.183 -7.711 1.00 0.00 C ATOM 842 CD1 ILE A 54 0.804 -10.864 -8.663 1.00 0.00 C ATOM 0 H ILE A 54 -1.329 -12.886 -6.174 1.00 0.00 H new ATOM 0 HA ILE A 54 1.186 -13.808 -5.131 1.00 0.00 H new ATOM 0 HB ILE A 54 2.056 -12.391 -7.098 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.591 -12.452 -8.380 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.500 -11.326 -7.040 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.337 -14.072 -8.761 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.794 -14.824 -7.214 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.076 -14.633 -7.638 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.066 -10.226 -9.149 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.474 -10.251 -8.060 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.381 -11.394 -9.421 1.00 0.00 H new ATOM 854 N PHE A 55 0.241 -10.683 -4.737 1.00 0.00 N ATOM 855 CA PHE A 55 0.548 -9.433 -4.038 1.00 0.00 C ATOM 856 C PHE A 55 0.623 -9.664 -2.527 1.00 0.00 C ATOM 857 O PHE A 55 1.577 -9.240 -1.873 1.00 0.00 O ATOM 858 CB PHE A 55 -0.514 -8.374 -4.363 1.00 0.00 C ATOM 859 CG PHE A 55 -0.206 -7.001 -3.825 1.00 0.00 C ATOM 860 CD1 PHE A 55 0.945 -6.329 -4.210 1.00 0.00 C ATOM 861 CD2 PHE A 55 -1.074 -6.380 -2.940 1.00 0.00 C ATOM 862 CE1 PHE A 55 1.223 -5.067 -3.719 1.00 0.00 C ATOM 863 CE2 PHE A 55 -0.800 -5.119 -2.448 1.00 0.00 C ATOM 864 CZ PHE A 55 0.349 -4.461 -2.838 1.00 0.00 C ATOM 0 H PHE A 55 -0.687 -10.711 -5.160 1.00 0.00 H new ATOM 0 HA PHE A 55 1.520 -9.075 -4.378 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.627 -8.310 -5.445 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -1.472 -8.702 -3.961 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.631 -6.797 -4.901 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.975 -6.889 -2.632 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.124 -4.555 -4.024 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.485 -4.648 -1.758 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.564 -3.474 -2.455 1.00 0.00 H new ATOM 874 N ILE A 56 -0.388 -10.344 -1.983 1.00 0.00 N ATOM 875 CA ILE A 56 -0.440 -10.640 -0.554 1.00 0.00 C ATOM 876 C ILE A 56 -0.588 -12.141 -0.311 1.00 0.00 C ATOM 877 O ILE A 56 -1.529 -12.767 -0.802 1.00 0.00 O ATOM 878 CB ILE A 56 -1.608 -9.900 0.138 1.00 0.00 C ATOM 879 CG1 ILE A 56 -1.532 -8.394 -0.137 1.00 0.00 C ATOM 880 CG2 ILE A 56 -1.604 -10.169 1.639 1.00 0.00 C ATOM 881 CD1 ILE A 56 -0.344 -7.718 0.513 1.00 0.00 C ATOM 0 H ILE A 56 -1.183 -10.700 -2.514 1.00 0.00 H new ATOM 0 HA ILE A 56 0.500 -10.293 -0.126 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.543 -10.279 -0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.487 -8.232 -1.214 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.448 -7.922 0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.434 -9.639 2.106 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.711 -11.239 1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.664 -9.822 2.068 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.356 -6.654 0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.397 -7.849 1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.578 -8.164 0.139 1.00 0.00 H new ATOM 893 N GLU A 57 0.341 -12.709 0.460 1.00 0.00 N ATOM 894 CA GLU A 57 0.309 -14.135 0.783 1.00 0.00 C ATOM 895 C GLU A 57 -0.728 -14.414 1.876 1.00 0.00 C ATOM 896 O GLU A 57 -1.602 -13.582 2.130 1.00 0.00 O ATOM 897 CB GLU A 57 1.701 -14.610 1.226 1.00 0.00 C ATOM 898 CG GLU A 57 2.245 -15.762 0.395 1.00 0.00 C ATOM 899 CD GLU A 57 2.790 -16.891 1.248 1.00 0.00 C ATOM 900 OE1 GLU A 57 2.009 -17.799 1.602 1.00 0.00 O ATOM 901 OE2 GLU A 57 3.999 -16.865 1.563 1.00 0.00 O ATOM 0 H GLU A 57 1.125 -12.203 0.872 1.00 0.00 H new ATOM 0 HA GLU A 57 0.021 -14.689 -0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.396 -13.772 1.170 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.655 -14.917 2.271 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.453 -16.147 -0.248 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.035 -15.392 -0.259 1.00 0.00 H new ATOM 908 N ASP A 58 -0.637 -15.584 2.514 1.00 0.00 N ATOM 909 CA ASP A 58 -1.579 -15.954 3.571 1.00 0.00 C ATOM 910 C ASP A 58 -1.423 -15.038 4.787 1.00 0.00 C ATOM 911 O ASP A 58 -0.705 -15.362 5.735 1.00 0.00 O ATOM 912 CB ASP A 58 -1.387 -17.422 3.976 1.00 0.00 C ATOM 913 CG ASP A 58 -2.407 -18.342 3.327 1.00 0.00 C ATOM 914 OD1 ASP A 58 -2.598 -18.245 2.096 1.00 0.00 O ATOM 915 OD2 ASP A 58 -3.013 -19.161 4.051 1.00 0.00 O ATOM 0 H ASP A 58 0.076 -16.287 2.318 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.589 -15.832 3.181 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.383 -17.744 3.698 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.461 -17.509 5.060 1.00 0.00 H new ATOM 920 N ASP A 59 -2.099 -13.885 4.739 1.00 0.00 N ATOM 921 CA ASP A 59 -2.050 -12.897 5.819 1.00 0.00 C ATOM 922 C ASP A 59 -0.626 -12.366 6.020 1.00 0.00 C ATOM 923 O ASP A 59 -0.178 -12.167 7.152 1.00 0.00 O ATOM 924 CB ASP A 59 -2.585 -13.498 7.127 1.00 0.00 C ATOM 925 CG ASP A 59 -4.026 -13.961 7.012 1.00 0.00 C ATOM 926 OD1 ASP A 59 -4.935 -13.142 7.265 1.00 0.00 O ATOM 927 OD2 ASP A 59 -4.245 -15.141 6.670 1.00 0.00 O ATOM 0 H ASP A 59 -2.692 -13.613 3.955 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.687 -12.060 5.533 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.959 -14.341 7.418 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.508 -12.756 7.921 1.00 0.00 H new ATOM 932 N SER A 60 0.081 -12.134 4.912 1.00 0.00 N ATOM 933 CA SER A 60 1.450 -11.624 4.959 1.00 0.00 C ATOM 934 C SER A 60 1.911 -11.189 3.569 1.00 0.00 C ATOM 935 O SER A 60 1.838 -11.963 2.615 1.00 0.00 O ATOM 936 CB SER A 60 2.401 -12.690 5.515 1.00 0.00 C ATOM 937 OG SER A 60 3.369 -12.110 6.372 1.00 0.00 O ATOM 0 H SER A 60 -0.275 -12.292 3.969 1.00 0.00 H new ATOM 0 HA SER A 60 1.466 -10.757 5.620 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.831 -13.442 6.061 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.899 -13.203 4.692 1.00 0.00 H new ATOM 0 HG SER A 60 3.963 -12.810 6.716 1.00 0.00 H new ATOM 943 N ILE A 61 2.382 -9.946 3.461 1.00 0.00 N ATOM 944 CA ILE A 61 2.851 -9.413 2.181 1.00 0.00 C ATOM 945 C ILE A 61 4.096 -10.154 1.694 1.00 0.00 C ATOM 946 O ILE A 61 4.862 -10.695 2.494 1.00 0.00 O ATOM 947 CB ILE A 61 3.158 -7.901 2.269 1.00 0.00 C ATOM 948 CG1 ILE A 61 1.970 -7.145 2.869 1.00 0.00 C ATOM 949 CG2 ILE A 61 3.492 -7.343 0.892 1.00 0.00 C ATOM 950 CD1 ILE A 61 2.288 -6.445 4.174 1.00 0.00 C ATOM 0 H ILE A 61 2.449 -9.292 4.241 1.00 0.00 H new ATOM 0 HA ILE A 61 2.042 -9.564 1.466 1.00 0.00 H new ATOM 0 HB ILE A 61 4.022 -7.766 2.920 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.619 -6.407 2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.151 -7.845 3.033 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.705 -6.277 0.973 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.365 -7.859 0.493 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.645 -7.493 0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.398 -5.931 4.538 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.610 -7.180 4.912 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.085 -5.719 4.013 1.00 0.00 H new ATOM 962 N ARG A 62 4.290 -10.173 0.376 1.00 0.00 N ATOM 963 CA ARG A 62 5.441 -10.847 -0.221 1.00 0.00 C ATOM 964 C ARG A 62 6.690 -9.968 -0.155 1.00 0.00 C ATOM 965 O ARG A 62 6.608 -8.748 -0.310 1.00 0.00 O ATOM 966 CB ARG A 62 5.147 -11.225 -1.677 1.00 0.00 C ATOM 967 CG ARG A 62 5.527 -12.658 -2.021 1.00 0.00 C ATOM 968 CD ARG A 62 4.385 -13.391 -2.708 1.00 0.00 C ATOM 969 NE ARG A 62 4.833 -14.621 -3.364 1.00 0.00 N ATOM 970 CZ ARG A 62 4.016 -15.610 -3.736 1.00 0.00 C ATOM 971 NH1 ARG A 62 2.704 -15.523 -3.523 1.00 0.00 N ATOM 972 NH2 ARG A 62 4.511 -16.692 -4.328 1.00 0.00 N ATOM 0 H ARG A 62 3.665 -9.730 -0.298 1.00 0.00 H new ATOM 0 HA ARG A 62 5.628 -11.755 0.352 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.084 -11.082 -1.874 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.687 -10.546 -2.337 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.402 -12.657 -2.671 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.806 -13.189 -1.111 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.616 -13.632 -1.974 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.926 -12.734 -3.446 1.00 0.00 H new ATOM 0 HE ARG A 62 5.830 -14.729 -3.548 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.314 -14.695 -3.072 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.089 -16.284 -3.811 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.514 -16.767 -4.498 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.888 -17.448 -4.612 1.00 0.00 H new ATOM 986 N PRO A 63 7.870 -10.583 0.073 1.00 0.00 N ATOM 987 CA PRO A 63 9.138 -9.851 0.153 1.00 0.00 C ATOM 988 C PRO A 63 9.583 -9.324 -1.208 1.00 0.00 C ATOM 989 O PRO A 63 9.688 -10.085 -2.173 1.00 0.00 O ATOM 990 CB PRO A 63 10.125 -10.900 0.670 1.00 0.00 C ATOM 991 CG PRO A 63 9.551 -12.207 0.244 1.00 0.00 C ATOM 992 CD PRO A 63 8.057 -12.036 0.265 1.00 0.00 C ATOM 0 HA PRO A 63 9.063 -8.971 0.791 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.119 -10.749 0.249 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.226 -10.847 1.754 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.898 -12.478 -0.753 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.861 -13.006 0.917 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.577 -12.610 -0.527 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.628 -12.374 1.208 1.00 0.00 H new ATOM 1000 N GLY A 64 9.835 -8.019 -1.280 1.00 0.00 N ATOM 1001 CA GLY A 64 10.258 -7.410 -2.530 1.00 0.00 C ATOM 1002 C GLY A 64 9.554 -6.093 -2.805 1.00 0.00 C ATOM 1003 O GLY A 64 10.152 -5.172 -3.365 1.00 0.00 O ATOM 0 H GLY A 64 9.754 -7.373 -0.495 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.335 -7.243 -2.503 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.063 -8.100 -3.351 1.00 0.00 H new ATOM 1007 N ILE A 65 8.282 -6.002 -2.410 1.00 0.00 N ATOM 1008 CA ILE A 65 7.501 -4.785 -2.617 1.00 0.00 C ATOM 1009 C ILE A 65 7.948 -3.687 -1.656 1.00 0.00 C ATOM 1010 O ILE A 65 7.794 -3.808 -0.440 1.00 0.00 O ATOM 1011 CB ILE A 65 5.986 -5.032 -2.438 1.00 0.00 C ATOM 1012 CG1 ILE A 65 5.528 -6.229 -3.278 1.00 0.00 C ATOM 1013 CG2 ILE A 65 5.198 -3.783 -2.814 1.00 0.00 C ATOM 1014 CD1 ILE A 65 4.368 -6.988 -2.670 1.00 0.00 C ATOM 0 H ILE A 65 7.774 -6.755 -1.947 1.00 0.00 H new ATOM 0 HA ILE A 65 7.678 -4.468 -3.645 1.00 0.00 H new ATOM 0 HB ILE A 65 5.797 -5.260 -1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.242 -5.878 -4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.368 -6.911 -3.411 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.133 -3.972 -2.683 1.00 0.00 H new ATOM 0 HG22 ILE A 65 5.501 -2.955 -2.173 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.396 -3.528 -3.855 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.098 -7.821 -3.319 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.656 -7.370 -1.691 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.513 -6.321 -2.562 1.00 0.00 H new ATOM 1026 N ILE A 66 8.508 -2.621 -2.220 1.00 0.00 N ATOM 1027 CA ILE A 66 8.993 -1.489 -1.439 1.00 0.00 C ATOM 1028 C ILE A 66 7.946 -0.374 -1.378 1.00 0.00 C ATOM 1029 O ILE A 66 7.158 -0.200 -2.308 1.00 0.00 O ATOM 1030 CB ILE A 66 10.298 -0.932 -2.048 1.00 0.00 C ATOM 1031 CG1 ILE A 66 11.396 -2.000 -2.037 1.00 0.00 C ATOM 1032 CG2 ILE A 66 10.757 0.315 -1.303 1.00 0.00 C ATOM 1033 CD1 ILE A 66 12.375 -1.874 -3.185 1.00 0.00 C ATOM 0 H ILE A 66 8.638 -2.518 -3.226 1.00 0.00 H new ATOM 0 HA ILE A 66 9.188 -1.845 -0.427 1.00 0.00 H new ATOM 0 HB ILE A 66 10.097 -0.654 -3.083 1.00 0.00 H new ATOM 0 HG12 ILE A 66 11.942 -1.938 -1.096 1.00 0.00 H new ATOM 0 HG13 ILE A 66 10.933 -2.986 -2.072 1.00 0.00 H new ATOM 0 HG21 ILE A 66 11.678 0.688 -1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.985 1.082 -1.368 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.937 0.068 -0.257 1.00 0.00 H new ATOM 0 HD11 ILE A 66 13.124 -2.663 -3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 66 11.841 -1.966 -4.131 1.00 0.00 H new ATOM 0 HD13 ILE A 66 12.866 -0.902 -3.139 1.00 0.00 H new ATOM 1045 N THR A 67 7.947 0.384 -0.279 1.00 0.00 N ATOM 1046 CA THR A 67 7.003 1.483 -0.103 1.00 0.00 C ATOM 1047 C THR A 67 7.662 2.656 0.627 1.00 0.00 C ATOM 1048 O THR A 67 8.262 2.481 1.689 1.00 0.00 O ATOM 1049 CB THR A 67 5.755 1.001 0.655 1.00 0.00 C ATOM 1050 OG1 THR A 67 4.788 2.033 0.764 1.00 0.00 O ATOM 1051 CG2 THR A 67 6.048 0.504 2.050 1.00 0.00 C ATOM 0 H THR A 67 8.592 0.255 0.501 1.00 0.00 H new ATOM 0 HA THR A 67 6.695 1.831 -1.089 1.00 0.00 H new ATOM 0 HB THR A 67 5.376 0.169 0.061 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.934 2.694 0.056 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.121 0.181 2.523 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.741 -0.336 1.999 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.494 1.307 2.636 1.00 0.00 H new ATOM 1059 N LEU A 68 7.548 3.849 0.043 1.00 0.00 N ATOM 1060 CA LEU A 68 8.134 5.054 0.626 1.00 0.00 C ATOM 1061 C LEU A 68 7.056 5.979 1.183 1.00 0.00 C ATOM 1062 O LEU A 68 6.112 6.341 0.480 1.00 0.00 O ATOM 1063 CB LEU A 68 8.961 5.802 -0.423 1.00 0.00 C ATOM 1064 CG LEU A 68 10.163 5.035 -0.980 1.00 0.00 C ATOM 1065 CD1 LEU A 68 10.992 5.940 -1.879 1.00 0.00 C ATOM 1066 CD2 LEU A 68 11.014 4.475 0.153 1.00 0.00 C ATOM 0 H LEU A 68 7.054 4.006 -0.835 1.00 0.00 H new ATOM 0 HA LEU A 68 8.782 4.746 1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.307 6.071 -1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.318 6.733 0.017 1.00 0.00 H new ATOM 0 HG LEU A 68 9.797 4.197 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.844 5.383 -2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.377 6.291 -2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.349 6.795 -1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 68 11.863 3.933 -0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.376 5.294 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.413 3.797 0.759 1.00 0.00 H new ATOM 1078 N ILE A 69 7.210 6.362 2.449 1.00 0.00 N ATOM 1079 CA ILE A 69 6.255 7.251 3.108 1.00 0.00 C ATOM 1080 C ILE A 69 6.836 8.656 3.276 1.00 0.00 C ATOM 1081 O ILE A 69 7.749 8.867 4.076 1.00 0.00 O ATOM 1082 CB ILE A 69 5.821 6.702 4.488 1.00 0.00 C ATOM 1083 CG1 ILE A 69 7.039 6.242 5.304 1.00 0.00 C ATOM 1084 CG2 ILE A 69 4.832 5.556 4.310 1.00 0.00 C ATOM 1085 CD1 ILE A 69 6.919 6.522 6.787 1.00 0.00 C ATOM 0 H ILE A 69 7.988 6.070 3.040 1.00 0.00 H new ATOM 0 HA ILE A 69 5.376 7.303 2.465 1.00 0.00 H new ATOM 0 HB ILE A 69 5.332 7.505 5.039 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.181 5.172 5.156 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.931 6.738 4.921 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.534 5.178 5.288 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.952 5.914 3.776 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.302 4.755 3.739 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.815 6.170 7.297 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.808 7.594 6.947 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.047 6.003 7.186 1.00 0.00 H new ATOM 1097 N ASN A 70 6.305 9.611 2.506 1.00 0.00 N ATOM 1098 CA ASN A 70 6.768 11.001 2.553 1.00 0.00 C ATOM 1099 C ASN A 70 8.266 11.088 2.255 1.00 0.00 C ATOM 1100 O ASN A 70 9.008 11.791 2.944 1.00 0.00 O ATOM 1101 CB ASN A 70 6.461 11.630 3.919 1.00 0.00 C ATOM 1102 CG ASN A 70 5.072 12.239 3.983 1.00 0.00 C ATOM 1103 OD1 ASN A 70 4.924 13.451 4.128 1.00 0.00 O ATOM 1104 ND2 ASN A 70 4.046 11.402 3.877 1.00 0.00 N ATOM 0 H ASN A 70 5.551 9.445 1.840 1.00 0.00 H new ATOM 0 HA ASN A 70 6.232 11.559 1.785 1.00 0.00 H new ATOM 0 HB2 ASN A 70 6.556 10.870 4.694 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.202 12.400 4.135 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.091 11.758 3.915 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.213 10.403 3.758 1.00 0.00 H new ATOM 1111 N ASP A 71 8.703 10.359 1.225 1.00 0.00 N ATOM 1112 CA ASP A 71 10.110 10.335 0.828 1.00 0.00 C ATOM 1113 C ASP A 71 10.991 9.818 1.971 1.00 0.00 C ATOM 1114 O ASP A 71 12.075 10.345 2.226 1.00 0.00 O ATOM 1115 CB ASP A 71 10.566 11.732 0.388 1.00 0.00 C ATOM 1116 CG ASP A 71 11.499 11.687 -0.807 1.00 0.00 C ATOM 1117 OD1 ASP A 71 12.704 11.419 -0.611 1.00 0.00 O ATOM 1118 OD2 ASP A 71 11.025 11.914 -1.939 1.00 0.00 O ATOM 0 H ASP A 71 8.097 9.775 0.649 1.00 0.00 H new ATOM 0 HA ASP A 71 10.214 9.653 -0.016 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.692 12.335 0.141 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.069 12.226 1.220 1.00 0.00 H new ATOM 1123 N THR A 72 10.514 8.777 2.655 1.00 0.00 N ATOM 1124 CA THR A 72 11.249 8.182 3.769 1.00 0.00 C ATOM 1125 C THR A 72 11.131 6.660 3.735 1.00 0.00 C ATOM 1126 O THR A 72 10.304 6.110 3.003 1.00 0.00 O ATOM 1127 CB THR A 72 10.726 8.716 5.111 1.00 0.00 C ATOM 1128 OG1 THR A 72 10.076 9.966 4.949 1.00 0.00 O ATOM 1129 CG2 THR A 72 11.814 8.898 6.149 1.00 0.00 C ATOM 0 H THR A 72 9.620 8.329 2.455 1.00 0.00 H new ATOM 0 HA THR A 72 12.299 8.458 3.668 1.00 0.00 H new ATOM 0 HB THR A 72 10.028 7.956 5.463 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.154 9.819 4.651 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.376 9.277 7.072 1.00 0.00 H new ATOM 0 HG22 THR A 72 12.296 7.940 6.343 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.554 9.608 5.780 1.00 0.00 H new ATOM 1137 N ASP A 73 11.955 5.986 4.536 1.00 0.00 N ATOM 1138 CA ASP A 73 11.942 4.527 4.600 1.00 0.00 C ATOM 1139 C ASP A 73 10.801 4.026 5.483 1.00 0.00 C ATOM 1140 O ASP A 73 10.683 4.420 6.644 1.00 0.00 O ATOM 1141 CB ASP A 73 13.278 3.999 5.131 1.00 0.00 C ATOM 1142 CG ASP A 73 14.190 3.507 4.025 1.00 0.00 C ATOM 1143 OD1 ASP A 73 13.870 2.468 3.409 1.00 0.00 O ATOM 1144 OD2 ASP A 73 15.225 4.160 3.775 1.00 0.00 O ATOM 0 H ASP A 73 12.640 6.428 5.149 1.00 0.00 H new ATOM 0 HA ASP A 73 11.788 4.152 3.588 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.782 4.789 5.688 1.00 0.00 H new ATOM 0 HB3 ASP A 73 13.091 3.185 5.832 1.00 0.00 H new ATOM 1149 N TRP A 74 9.965 3.151 4.923 1.00 0.00 N ATOM 1150 CA TRP A 74 8.831 2.586 5.660 1.00 0.00 C ATOM 1151 C TRP A 74 9.288 1.835 6.917 1.00 0.00 C ATOM 1152 O TRP A 74 8.534 1.725 7.886 1.00 0.00 O ATOM 1153 CB TRP A 74 8.010 1.648 4.760 1.00 0.00 C ATOM 1154 CG TRP A 74 8.737 0.401 4.323 1.00 0.00 C ATOM 1155 CD1 TRP A 74 10.074 0.262 4.071 1.00 0.00 C ATOM 1156 CD2 TRP A 74 8.152 -0.886 4.078 1.00 0.00 C ATOM 1157 NE1 TRP A 74 10.354 -1.028 3.692 1.00 0.00 N ATOM 1158 CE2 TRP A 74 9.191 -1.752 3.686 1.00 0.00 C ATOM 1159 CE3 TRP A 74 6.850 -1.390 4.155 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 8.965 -3.091 3.370 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 6.628 -2.717 3.841 1.00 0.00 C ATOM 1162 CH2 TRP A 74 7.680 -3.554 3.453 1.00 0.00 C ATOM 0 H TRP A 74 10.050 2.818 3.963 1.00 0.00 H new ATOM 0 HA TRP A 74 8.203 3.420 5.974 1.00 0.00 H new ATOM 0 HB2 TRP A 74 7.104 1.357 5.292 1.00 0.00 H new ATOM 0 HB3 TRP A 74 7.696 2.199 3.874 1.00 0.00 H new ATOM 0 HD1 TRP A 74 10.804 1.053 4.158 1.00 0.00 H new ATOM 0 HE1 TRP A 74 11.278 -1.389 3.454 1.00 0.00 H new ATOM 0 HE3 TRP A 74 6.031 -0.753 4.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 9.775 -3.740 3.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 5.626 -3.115 3.896 1.00 0.00 H new ATOM 0 HH2 TRP A 74 7.474 -4.587 3.214 1.00 0.00 H new ATOM 1173 N GLU A 75 10.521 1.321 6.893 1.00 0.00 N ATOM 1174 CA GLU A 75 11.077 0.579 8.026 1.00 0.00 C ATOM 1175 C GLU A 75 11.969 1.461 8.913 1.00 0.00 C ATOM 1176 O GLU A 75 12.493 0.996 9.927 1.00 0.00 O ATOM 1177 CB GLU A 75 11.875 -0.632 7.521 1.00 0.00 C ATOM 1178 CG GLU A 75 12.878 -0.298 6.419 1.00 0.00 C ATOM 1179 CD GLU A 75 13.858 -1.425 6.145 1.00 0.00 C ATOM 1180 OE1 GLU A 75 13.421 -2.594 6.075 1.00 0.00 O ATOM 1181 OE2 GLU A 75 15.065 -1.139 5.993 1.00 0.00 O ATOM 0 H GLU A 75 11.154 1.406 6.098 1.00 0.00 H new ATOM 0 HA GLU A 75 10.240 0.239 8.636 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.408 -1.079 8.360 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.179 -1.384 7.149 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.337 -0.064 5.502 1.00 0.00 H new ATOM 0 HG3 GLU A 75 13.432 0.598 6.700 1.00 0.00 H new ATOM 1188 N LEU A 76 12.137 2.733 8.533 1.00 0.00 N ATOM 1189 CA LEU A 76 12.962 3.670 9.300 1.00 0.00 C ATOM 1190 C LEU A 76 12.408 3.875 10.716 1.00 0.00 C ATOM 1191 O LEU A 76 13.170 4.094 11.660 1.00 0.00 O ATOM 1192 CB LEU A 76 13.046 5.020 8.570 1.00 0.00 C ATOM 1193 CG LEU A 76 14.377 5.775 8.698 1.00 0.00 C ATOM 1194 CD1 LEU A 76 14.569 6.301 10.114 1.00 0.00 C ATOM 1195 CD2 LEU A 76 15.548 4.890 8.290 1.00 0.00 C ATOM 0 H LEU A 76 11.712 3.136 7.698 1.00 0.00 H new ATOM 0 HA LEU A 76 13.961 3.242 9.387 1.00 0.00 H new ATOM 0 HB2 LEU A 76 12.848 4.851 7.512 1.00 0.00 H new ATOM 0 HB3 LEU A 76 12.249 5.663 8.945 1.00 0.00 H new ATOM 0 HG LEU A 76 14.344 6.627 8.020 1.00 0.00 H new ATOM 0 HD11 LEU A 76 15.519 6.832 10.179 1.00 0.00 H new ATOM 0 HD12 LEU A 76 13.755 6.982 10.363 1.00 0.00 H new ATOM 0 HD13 LEU A 76 14.571 5.466 10.815 1.00 0.00 H new ATOM 0 HD21 LEU A 76 16.479 5.449 8.390 1.00 0.00 H new ATOM 0 HD22 LEU A 76 15.582 4.011 8.934 1.00 0.00 H new ATOM 0 HD23 LEU A 76 15.423 4.576 7.254 1.00 0.00 H new ATOM 1207 N GLU A 77 11.080 3.802 10.859 1.00 0.00 N ATOM 1208 CA GLU A 77 10.436 3.982 12.160 1.00 0.00 C ATOM 1209 C GLU A 77 9.429 2.864 12.439 1.00 0.00 C ATOM 1210 O GLU A 77 9.645 2.037 13.327 1.00 0.00 O ATOM 1211 CB GLU A 77 9.742 5.347 12.228 1.00 0.00 C ATOM 1212 CG GLU A 77 9.953 6.074 13.548 1.00 0.00 C ATOM 1213 CD GLU A 77 8.993 5.614 14.629 1.00 0.00 C ATOM 1214 OE1 GLU A 77 9.302 4.615 15.311 1.00 0.00 O ATOM 1215 OE2 GLU A 77 7.933 6.254 14.793 1.00 0.00 O ATOM 0 H GLU A 77 10.434 3.620 10.091 1.00 0.00 H new ATOM 0 HA GLU A 77 11.211 3.939 12.926 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.110 5.973 11.415 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.673 5.210 12.065 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.977 5.916 13.886 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.831 7.146 13.391 1.00 0.00 H new ATOM 1222 N GLY A 78 8.327 2.846 11.685 1.00 0.00 N ATOM 1223 CA GLY A 78 7.308 1.827 11.885 1.00 0.00 C ATOM 1224 C GLY A 78 6.636 1.398 10.594 1.00 0.00 C ATOM 1225 O GLY A 78 5.881 2.167 9.998 1.00 0.00 O ATOM 0 H GLY A 78 8.124 3.516 10.943 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.761 0.956 12.359 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.552 2.207 12.573 1.00 0.00 H new ATOM 1229 N GLU A 79 6.913 0.165 10.165 1.00 0.00 N ATOM 1230 CA GLU A 79 6.332 -0.381 8.935 1.00 0.00 C ATOM 1231 C GLU A 79 4.806 -0.252 8.936 1.00 0.00 C ATOM 1232 O GLU A 79 4.251 0.579 8.217 1.00 0.00 O ATOM 1233 CB GLU A 79 6.740 -1.848 8.760 1.00 0.00 C ATOM 1234 CG GLU A 79 7.257 -2.173 7.370 1.00 0.00 C ATOM 1235 CD GLU A 79 6.792 -3.529 6.875 1.00 0.00 C ATOM 1236 OE1 GLU A 79 5.566 -3.719 6.723 1.00 0.00 O ATOM 1237 OE2 GLU A 79 7.654 -4.400 6.638 1.00 0.00 O ATOM 0 H GLU A 79 7.538 -0.477 10.653 1.00 0.00 H new ATOM 0 HA GLU A 79 6.718 0.198 8.096 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.510 -2.092 9.491 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.882 -2.484 8.977 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.924 -1.403 6.674 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.347 -2.147 7.377 1.00 0.00 H new ATOM 1244 N LYS A 80 4.133 -1.068 9.749 1.00 0.00 N ATOM 1245 CA LYS A 80 2.674 -1.029 9.843 1.00 0.00 C ATOM 1246 C LYS A 80 2.228 -0.067 10.943 1.00 0.00 C ATOM 1247 O LYS A 80 1.163 0.547 10.845 1.00 0.00 O ATOM 1248 CB LYS A 80 2.114 -2.430 10.112 1.00 0.00 C ATOM 1249 CG LYS A 80 0.593 -2.479 10.184 1.00 0.00 C ATOM 1250 CD LYS A 80 0.102 -3.749 10.864 1.00 0.00 C ATOM 1251 CE LYS A 80 -0.539 -4.707 9.869 1.00 0.00 C ATOM 1252 NZ LYS A 80 0.451 -5.654 9.279 1.00 0.00 N ATOM 0 H LYS A 80 4.575 -1.763 10.351 1.00 0.00 H new ATOM 0 HA LYS A 80 2.284 -0.672 8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.453 -3.104 9.326 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.525 -2.802 11.050 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.226 -1.609 10.729 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.179 -2.422 9.177 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.938 -4.244 11.359 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.620 -3.491 11.639 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.327 -5.272 10.367 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.013 -4.136 9.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.031 -6.286 8.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.190 -5.118 8.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.885 -6.219 10.037 1.00 0.00 H new ATOM 1266 N ASP A 81 3.052 0.059 11.989 1.00 0.00 N ATOM 1267 CA ASP A 81 2.754 0.948 13.114 1.00 0.00 C ATOM 1268 C ASP A 81 2.457 2.374 12.639 1.00 0.00 C ATOM 1269 O ASP A 81 1.711 3.106 13.291 1.00 0.00 O ATOM 1270 CB ASP A 81 3.920 0.956 14.109 1.00 0.00 C ATOM 1271 CG ASP A 81 3.472 0.651 15.526 1.00 0.00 C ATOM 1272 OD1 ASP A 81 2.912 1.555 16.180 1.00 0.00 O ATOM 1273 OD2 ASP A 81 3.679 -0.495 15.979 1.00 0.00 O ATOM 0 H ASP A 81 3.934 -0.446 12.078 1.00 0.00 H new ATOM 0 HA ASP A 81 1.862 0.567 13.611 1.00 0.00 H new ATOM 0 HB2 ASP A 81 4.663 0.221 13.800 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.407 1.931 14.086 1.00 0.00 H new ATOM 1278 N TYR A 82 3.038 2.760 11.499 1.00 0.00 N ATOM 1279 CA TYR A 82 2.822 4.092 10.938 1.00 0.00 C ATOM 1280 C TYR A 82 1.332 4.339 10.700 1.00 0.00 C ATOM 1281 O TYR A 82 0.712 3.689 9.852 1.00 0.00 O ATOM 1282 CB TYR A 82 3.601 4.246 9.627 1.00 0.00 C ATOM 1283 CG TYR A 82 3.395 5.579 8.932 1.00 0.00 C ATOM 1284 CD1 TYR A 82 2.317 5.781 8.075 1.00 0.00 C ATOM 1285 CD2 TYR A 82 4.281 6.633 9.128 1.00 0.00 C ATOM 1286 CE1 TYR A 82 2.129 6.993 7.437 1.00 0.00 C ATOM 1287 CE2 TYR A 82 4.099 7.847 8.492 1.00 0.00 C ATOM 1288 CZ TYR A 82 3.022 8.022 7.648 1.00 0.00 C ATOM 1289 OH TYR A 82 2.840 9.230 7.013 1.00 0.00 O ATOM 0 H TYR A 82 3.660 2.168 10.949 1.00 0.00 H new ATOM 0 HA TYR A 82 3.185 4.831 11.652 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.664 4.117 9.832 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.308 3.446 8.947 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.616 4.977 7.906 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.125 6.501 9.788 1.00 0.00 H new ATOM 0 HE1 TYR A 82 1.286 7.133 6.776 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.797 8.655 8.655 1.00 0.00 H new ATOM 0 HH TYR A 82 3.557 9.847 7.271 1.00 0.00 H new ATOM 1299 N ILE A 83 0.766 5.282 11.450 1.00 0.00 N ATOM 1300 CA ILE A 83 -0.648 5.622 11.324 1.00 0.00 C ATOM 1301 C ILE A 83 -0.883 6.495 10.090 1.00 0.00 C ATOM 1302 O ILE A 83 -0.069 7.365 9.775 1.00 0.00 O ATOM 1303 CB ILE A 83 -1.166 6.364 12.579 1.00 0.00 C ATOM 1304 CG1 ILE A 83 -0.785 5.606 13.857 1.00 0.00 C ATOM 1305 CG2 ILE A 83 -2.675 6.559 12.508 1.00 0.00 C ATOM 1306 CD1 ILE A 83 -1.392 4.219 13.958 1.00 0.00 C ATOM 0 H ILE A 83 1.267 5.825 12.153 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.198 4.686 11.220 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.693 7.346 12.608 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.301 5.520 13.906 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.098 6.192 14.721 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.017 7.083 13.401 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.925 7.147 11.625 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.165 5.587 12.448 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.074 3.750 14.889 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.479 4.296 13.943 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.059 3.614 13.115 1.00 0.00 H new ATOM 1318 N LEU A 84 -1.999 6.257 9.396 1.00 0.00 N ATOM 1319 CA LEU A 84 -2.341 7.021 8.199 1.00 0.00 C ATOM 1320 C LEU A 84 -2.550 8.499 8.534 1.00 0.00 C ATOM 1321 O LEU A 84 -2.544 8.885 9.705 1.00 0.00 O ATOM 1322 CB LEU A 84 -3.604 6.450 7.541 1.00 0.00 C ATOM 1323 CG LEU A 84 -3.419 5.123 6.791 1.00 0.00 C ATOM 1324 CD1 LEU A 84 -4.716 4.705 6.111 1.00 0.00 C ATOM 1325 CD2 LEU A 84 -2.294 5.232 5.768 1.00 0.00 C ATOM 0 H LEU A 84 -2.680 5.540 9.645 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.509 6.940 7.500 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.361 6.308 8.312 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.995 7.190 6.843 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.148 4.358 7.519 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.564 3.762 5.585 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.496 4.580 6.862 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.017 5.473 5.399 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.181 4.280 5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.533 6.013 5.046 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.363 5.481 6.277 1.00 0.00 H new ATOM 1337 N GLU A 85 -2.738 9.319 7.501 1.00 0.00 N ATOM 1338 CA GLU A 85 -2.948 10.749 7.680 1.00 0.00 C ATOM 1339 C GLU A 85 -3.480 11.377 6.401 1.00 0.00 C ATOM 1340 O GLU A 85 -2.722 11.631 5.463 1.00 0.00 O ATOM 1341 CB GLU A 85 -1.642 11.440 8.083 1.00 0.00 C ATOM 1342 CG GLU A 85 -1.589 11.847 9.545 1.00 0.00 C ATOM 1343 CD GLU A 85 -0.176 11.837 10.093 1.00 0.00 C ATOM 1344 OE1 GLU A 85 0.277 10.764 10.546 1.00 0.00 O ATOM 1345 OE2 GLU A 85 0.478 12.900 10.069 1.00 0.00 O ATOM 0 H GLU A 85 -2.749 9.012 6.528 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.682 10.883 8.475 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.808 10.771 7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.505 12.326 7.464 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.013 12.845 9.658 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.209 11.169 10.132 1.00 0.00 H new ATOM 1352 N ASP A 86 -4.787 11.621 6.373 1.00 0.00 N ATOM 1353 CA ASP A 86 -5.441 12.227 5.213 1.00 0.00 C ATOM 1354 C ASP A 86 -4.613 13.395 4.672 1.00 0.00 C ATOM 1355 O ASP A 86 -4.498 14.439 5.318 1.00 0.00 O ATOM 1356 CB ASP A 86 -6.846 12.713 5.588 1.00 0.00 C ATOM 1357 CG ASP A 86 -7.608 13.268 4.399 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -7.363 14.434 4.026 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -8.450 12.537 3.841 1.00 0.00 O ATOM 0 H ASP A 86 -5.419 11.407 7.145 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.523 11.469 4.434 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.409 11.886 6.022 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.767 13.483 6.356 1.00 0.00 H new ATOM 1364 N GLY A 87 -4.031 13.201 3.489 1.00 0.00 N ATOM 1365 CA GLY A 87 -3.209 14.233 2.879 1.00 0.00 C ATOM 1366 C GLY A 87 -1.726 13.882 2.872 1.00 0.00 C ATOM 1367 O GLY A 87 -0.877 14.775 2.866 1.00 0.00 O ATOM 0 H GLY A 87 -4.115 12.344 2.942 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.543 14.398 1.855 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.353 15.170 3.417 1.00 0.00 H new ATOM 1371 N ASP A 88 -1.413 12.582 2.872 1.00 0.00 N ATOM 1372 CA ASP A 88 -0.024 12.123 2.866 1.00 0.00 C ATOM 1373 C ASP A 88 0.295 11.349 1.585 1.00 0.00 C ATOM 1374 O ASP A 88 -0.605 11.004 0.814 1.00 0.00 O ATOM 1375 CB ASP A 88 0.252 11.243 4.092 1.00 0.00 C ATOM 1376 CG ASP A 88 0.996 11.976 5.199 1.00 0.00 C ATOM 1377 OD1 ASP A 88 1.700 12.965 4.902 1.00 0.00 O ATOM 1378 OD2 ASP A 88 0.878 11.555 6.366 1.00 0.00 O ATOM 0 H ASP A 88 -2.104 11.831 2.876 1.00 0.00 H new ATOM 0 HA ASP A 88 0.620 13.002 2.905 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.694 10.870 4.484 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.834 10.375 3.784 1.00 0.00 H new ATOM 1383 N ILE A 89 1.587 11.085 1.364 1.00 0.00 N ATOM 1384 CA ILE A 89 2.037 10.358 0.176 1.00 0.00 C ATOM 1385 C ILE A 89 2.713 9.034 0.547 1.00 0.00 C ATOM 1386 O ILE A 89 3.613 9.002 1.390 1.00 0.00 O ATOM 1387 CB ILE A 89 3.025 11.204 -0.661 1.00 0.00 C ATOM 1388 CG1 ILE A 89 2.477 12.620 -0.884 1.00 0.00 C ATOM 1389 CG2 ILE A 89 3.312 10.529 -1.996 1.00 0.00 C ATOM 1390 CD1 ILE A 89 1.173 12.657 -1.656 1.00 0.00 C ATOM 0 H ILE A 89 2.339 11.365 1.994 1.00 0.00 H new ATOM 0 HA ILE A 89 1.145 10.151 -0.416 1.00 0.00 H new ATOM 0 HB ILE A 89 3.959 11.282 -0.105 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.329 13.099 0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.222 13.208 -1.420 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.009 11.140 -2.570 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.750 9.547 -1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.383 10.417 -2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.849 13.691 -1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.319 12.209 -2.639 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.412 12.098 -1.112 1.00 0.00 H new ATOM 1402 N ILE A 90 2.275 7.948 -0.097 1.00 0.00 N ATOM 1403 CA ILE A 90 2.837 6.618 0.149 1.00 0.00 C ATOM 1404 C ILE A 90 3.084 5.881 -1.172 1.00 0.00 C ATOM 1405 O ILE A 90 2.155 5.358 -1.787 1.00 0.00 O ATOM 1406 CB ILE A 90 1.907 5.768 1.047 1.00 0.00 C ATOM 1407 CG1 ILE A 90 1.728 6.434 2.416 1.00 0.00 C ATOM 1408 CG2 ILE A 90 2.455 4.355 1.207 1.00 0.00 C ATOM 1409 CD1 ILE A 90 0.489 7.300 2.510 1.00 0.00 C ATOM 0 H ILE A 90 1.531 7.965 -0.794 1.00 0.00 H new ATOM 0 HA ILE A 90 3.786 6.759 0.667 1.00 0.00 H new ATOM 0 HB ILE A 90 0.932 5.703 0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.681 5.661 3.183 1.00 0.00 H new ATOM 0 HG13 ILE A 90 2.605 7.044 2.632 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.786 3.775 1.842 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.529 3.880 0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.443 4.398 1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.427 7.739 3.506 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.543 8.095 1.766 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.396 6.690 2.326 1.00 0.00 H new ATOM 1421 N SER A 91 4.346 5.851 -1.605 1.00 0.00 N ATOM 1422 CA SER A 91 4.717 5.188 -2.859 1.00 0.00 C ATOM 1423 C SER A 91 4.848 3.677 -2.679 1.00 0.00 C ATOM 1424 O SER A 91 5.164 3.199 -1.591 1.00 0.00 O ATOM 1425 CB SER A 91 6.034 5.755 -3.396 1.00 0.00 C ATOM 1426 OG SER A 91 6.189 7.122 -3.048 1.00 0.00 O ATOM 0 H SER A 91 5.128 6.277 -1.107 1.00 0.00 H new ATOM 0 HA SER A 91 3.919 5.380 -3.576 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.869 5.179 -2.997 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.063 5.648 -4.480 1.00 0.00 H new ATOM 0 HG SER A 91 6.018 7.681 -3.834 1.00 0.00 H new ATOM 1432 N PHE A 92 4.606 2.932 -3.761 1.00 0.00 N ATOM 1433 CA PHE A 92 4.697 1.473 -3.734 1.00 0.00 C ATOM 1434 C PHE A 92 5.467 0.946 -4.946 1.00 0.00 C ATOM 1435 O PHE A 92 4.891 0.708 -6.010 1.00 0.00 O ATOM 1436 CB PHE A 92 3.297 0.853 -3.687 1.00 0.00 C ATOM 1437 CG PHE A 92 2.787 0.645 -2.290 1.00 0.00 C ATOM 1438 CD1 PHE A 92 3.335 -0.334 -1.479 1.00 0.00 C ATOM 1439 CD2 PHE A 92 1.764 1.433 -1.789 1.00 0.00 C ATOM 1440 CE1 PHE A 92 2.872 -0.526 -0.193 1.00 0.00 C ATOM 1441 CE2 PHE A 92 1.296 1.246 -0.503 1.00 0.00 C ATOM 1442 CZ PHE A 92 1.852 0.266 0.296 1.00 0.00 C ATOM 0 H PHE A 92 4.345 3.318 -4.668 1.00 0.00 H new ATOM 0 HA PHE A 92 5.242 1.186 -2.835 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.603 1.497 -4.228 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.314 -0.105 -4.207 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.134 -0.955 -1.857 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.328 2.201 -2.410 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.307 -1.294 0.430 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.497 1.865 -0.123 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.489 0.119 1.303 1.00 0.00 H new ATOM 1452 N THR A 93 6.774 0.759 -4.769 1.00 0.00 N ATOM 1453 CA THR A 93 7.637 0.251 -5.834 1.00 0.00 C ATOM 1454 C THR A 93 7.825 -1.262 -5.704 1.00 0.00 C ATOM 1455 O THR A 93 7.575 -1.838 -4.644 1.00 0.00 O ATOM 1456 CB THR A 93 9.004 0.948 -5.794 1.00 0.00 C ATOM 1457 OG1 THR A 93 9.509 1.002 -4.467 1.00 0.00 O ATOM 1458 CG2 THR A 93 8.975 2.361 -6.337 1.00 0.00 C ATOM 0 H THR A 93 7.260 0.953 -3.894 1.00 0.00 H new ATOM 0 HA THR A 93 7.156 0.464 -6.789 1.00 0.00 H new ATOM 0 HB THR A 93 9.649 0.346 -6.433 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.381 1.449 -4.467 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.974 2.794 -6.279 1.00 0.00 H new ATOM 0 HG22 THR A 93 8.647 2.345 -7.376 1.00 0.00 H new ATOM 0 HG23 THR A 93 8.284 2.963 -5.747 1.00 0.00 H new ATOM 1466 N SER A 94 8.272 -1.903 -6.784 1.00 0.00 N ATOM 1467 CA SER A 94 8.498 -3.347 -6.779 1.00 0.00 C ATOM 1468 C SER A 94 9.595 -3.730 -7.772 1.00 0.00 C ATOM 1469 O SER A 94 9.362 -3.781 -8.982 1.00 0.00 O ATOM 1470 CB SER A 94 7.201 -4.095 -7.098 1.00 0.00 C ATOM 1471 OG SER A 94 7.425 -5.492 -7.186 1.00 0.00 O ATOM 0 H SER A 94 8.484 -1.446 -7.671 1.00 0.00 H new ATOM 0 HA SER A 94 8.827 -3.635 -5.781 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.460 -3.891 -6.325 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.789 -3.730 -8.039 1.00 0.00 H new ATOM 0 HG SER A 94 6.581 -5.947 -7.389 1.00 0.00 H new ATOM 1477 N THR A 95 10.793 -3.987 -7.248 1.00 0.00 N ATOM 1478 CA THR A 95 11.939 -4.356 -8.078 1.00 0.00 C ATOM 1479 C THR A 95 12.529 -5.705 -7.650 1.00 0.00 C ATOM 1480 O THR A 95 12.821 -6.556 -8.493 1.00 0.00 O ATOM 1481 CB THR A 95 13.012 -3.263 -8.009 1.00 0.00 C ATOM 1482 OG1 THR A 95 13.506 -3.121 -6.687 1.00 0.00 O ATOM 1483 CG2 THR A 95 12.509 -1.906 -8.456 1.00 0.00 C ATOM 0 H THR A 95 10.995 -3.946 -6.249 1.00 0.00 H new ATOM 0 HA THR A 95 11.592 -4.455 -9.107 1.00 0.00 H new ATOM 0 HB THR A 95 13.798 -3.589 -8.690 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.190 -2.420 -6.667 1.00 0.00 H new ATOM 0 HG21 THR A 95 13.316 -1.177 -8.383 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.167 -1.967 -9.489 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.682 -1.596 -7.818 1.00 0.00 H new