USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 610 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 45 MET CE :methyl 156:sc= -3.33! (180deg=-5.83!) USER MOD Set 1.2: A 80 MET CE :methyl 143:sc= -1.43 (180deg=-4.3!) USER MOD Set 2.1: A 35 CYS SG : rot -147:sc= 0.511 USER MOD Set 2.2: A 71 THR OG1 : rot 149:sc= 0.648 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0259) USER MOD Single : A 11 GLN : amide:sc=-0.00313 X(o=-0.0031,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.933 K(o=-0.93,f=-4.6) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.00155 X(o=0.0016,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0.252 X(o=0.25,f=0.34) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.000515 USER MOD Single : A 39 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0152) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0.013) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.899 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.695 F(o=-1.3,f=-0.69) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -84:sc= 0.866 USER MOD Single : A 81 MET CE :methyl 147:sc= -3.29! (180deg=-6.45!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0.00714 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 8.509 -5.100 -17.895 1.00 0.00 N ATOM 47 CA ILE A 4 7.366 -5.968 -17.602 1.00 0.00 C ATOM 48 C ILE A 4 6.099 -5.132 -17.396 1.00 0.00 C ATOM 49 O ILE A 4 4.991 -5.632 -17.566 1.00 0.00 O ATOM 50 CB ILE A 4 7.620 -6.848 -16.361 1.00 0.00 C ATOM 51 CG1 ILE A 4 7.507 -6.016 -15.078 1.00 0.00 C ATOM 52 CG2 ILE A 4 9.020 -7.462 -16.444 1.00 0.00 C ATOM 53 CD1 ILE A 4 6.055 -6.023 -14.590 1.00 0.00 C ATOM 0 HA ILE A 4 7.229 -6.627 -18.460 1.00 0.00 H new ATOM 0 HB ILE A 4 6.870 -7.638 -16.337 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.162 -6.424 -14.308 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.834 -4.993 -15.265 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.197 -8.083 -15.566 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.096 -8.074 -17.343 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.764 -6.667 -16.482 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.975 -5.432 -13.678 1.00 0.00 H new ATOM 0 HD12 ILE A 4 5.411 -5.595 -15.358 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.745 -7.048 -14.386 1.00 0.00 H new ATOM 65 N TYR A 5 6.277 -3.852 -17.037 1.00 0.00 N ATOM 66 CA TYR A 5 5.136 -2.953 -16.822 1.00 0.00 C ATOM 67 C TYR A 5 4.385 -2.755 -18.137 1.00 0.00 C ATOM 68 O TYR A 5 3.165 -2.579 -18.155 1.00 0.00 O ATOM 69 CB TYR A 5 5.602 -1.578 -16.311 1.00 0.00 C ATOM 70 CG TYR A 5 6.189 -1.673 -14.912 1.00 0.00 C ATOM 71 CD1 TYR A 5 6.602 -2.904 -14.389 1.00 0.00 C ATOM 72 CD2 TYR A 5 6.339 -0.511 -14.145 1.00 0.00 C ATOM 73 CE1 TYR A 5 7.157 -2.978 -13.111 1.00 0.00 C ATOM 74 CE2 TYR A 5 6.891 -0.583 -12.861 1.00 0.00 C ATOM 75 CZ TYR A 5 7.301 -1.818 -12.344 1.00 0.00 C ATOM 76 OH TYR A 5 7.849 -1.889 -11.079 1.00 0.00 O ATOM 0 H TYR A 5 7.190 -3.421 -16.891 1.00 0.00 H new ATOM 0 HA TYR A 5 4.485 -3.407 -16.075 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.348 -1.169 -16.993 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.760 -0.886 -16.307 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.490 -3.802 -14.978 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.028 0.443 -14.545 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.475 -3.931 -12.714 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.001 0.314 -12.269 1.00 0.00 H new ATOM 0 HH TYR A 5 7.878 -0.993 -10.684 1.00 0.00 H new ATOM 86 N LYS A 6 5.140 -2.804 -19.238 1.00 0.00 N ATOM 87 CA LYS A 6 4.561 -2.646 -20.574 1.00 0.00 C ATOM 88 C LYS A 6 3.916 -3.957 -21.004 1.00 0.00 C ATOM 89 O LYS A 6 2.824 -3.973 -21.576 1.00 0.00 O ATOM 90 CB LYS A 6 5.638 -2.252 -21.598 1.00 0.00 C ATOM 91 CG LYS A 6 6.557 -1.166 -21.018 1.00 0.00 C ATOM 92 CD LYS A 6 5.713 -0.080 -20.341 1.00 0.00 C ATOM 93 CE LYS A 6 6.588 0.734 -19.383 1.00 0.00 C ATOM 94 NZ LYS A 6 7.602 1.512 -20.154 1.00 0.00 N ATOM 0 H LYS A 6 6.149 -2.951 -19.231 1.00 0.00 H new ATOM 0 HA LYS A 6 3.813 -1.854 -20.534 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.227 -3.128 -21.871 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.166 -1.888 -22.510 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.246 -1.606 -20.297 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.163 -0.727 -21.811 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.275 0.575 -21.094 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.887 -0.536 -19.795 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.967 1.411 -18.797 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.087 0.068 -18.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.147 2.113 -19.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.246 0.856 -20.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.121 2.110 -20.856 1.00 0.00 H new ATOM 108 N ALA A 7 4.605 -5.058 -20.696 1.00 0.00 N ATOM 109 CA ALA A 7 4.096 -6.390 -21.023 1.00 0.00 C ATOM 110 C ALA A 7 2.835 -6.687 -20.204 1.00 0.00 C ATOM 111 O ALA A 7 1.924 -7.372 -20.672 1.00 0.00 O ATOM 112 CB ALA A 7 5.151 -7.458 -20.723 1.00 0.00 C ATOM 0 H ALA A 7 5.509 -5.054 -20.224 1.00 0.00 H new ATOM 0 HA ALA A 7 3.857 -6.411 -22.086 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.754 -8.442 -20.973 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.043 -7.265 -21.318 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.408 -7.428 -19.664 1.00 0.00 H new ATOM 118 N ALA A 8 2.796 -6.149 -18.976 1.00 0.00 N ATOM 119 CA ALA A 8 1.650 -6.343 -18.089 1.00 0.00 C ATOM 120 C ALA A 8 0.442 -5.559 -18.596 1.00 0.00 C ATOM 121 O ALA A 8 -0.685 -6.047 -18.536 1.00 0.00 O ATOM 122 CB ALA A 8 1.981 -5.879 -16.665 1.00 0.00 C ATOM 0 H ALA A 8 3.544 -5.579 -18.580 1.00 0.00 H new ATOM 0 HA ALA A 8 1.416 -7.408 -18.077 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.115 -6.032 -16.022 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.824 -6.454 -16.282 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.240 -4.820 -16.678 1.00 0.00 H new ATOM 128 N VAL A 9 0.690 -4.342 -19.100 1.00 0.00 N ATOM 129 CA VAL A 9 -0.389 -3.493 -19.625 1.00 0.00 C ATOM 130 C VAL A 9 -1.227 -4.261 -20.653 1.00 0.00 C ATOM 131 O VAL A 9 -2.459 -4.252 -20.599 1.00 0.00 O ATOM 132 CB VAL A 9 0.202 -2.231 -20.275 1.00 0.00 C ATOM 133 CG1 VAL A 9 -0.793 -1.627 -21.272 1.00 0.00 C ATOM 134 CG2 VAL A 9 0.518 -1.201 -19.185 1.00 0.00 C ATOM 0 H VAL A 9 1.620 -3.926 -19.155 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.033 -3.202 -18.795 1.00 0.00 H new ATOM 0 HB VAL A 9 1.114 -2.501 -20.808 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.359 -0.735 -21.723 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.015 -2.356 -22.051 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.713 -1.360 -20.752 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.937 -0.305 -19.642 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.397 -0.943 -18.652 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.239 -1.622 -18.484 1.00 0.00 H new ATOM 144 N GLU A 10 -0.540 -4.927 -21.583 1.00 0.00 N ATOM 145 CA GLU A 10 -1.215 -5.706 -22.624 1.00 0.00 C ATOM 146 C GLU A 10 -1.962 -6.907 -22.029 1.00 0.00 C ATOM 147 O GLU A 10 -2.867 -7.456 -22.662 1.00 0.00 O ATOM 148 CB GLU A 10 -0.198 -6.213 -23.655 1.00 0.00 C ATOM 149 CG GLU A 10 0.139 -5.090 -24.641 1.00 0.00 C ATOM 150 CD GLU A 10 -0.948 -5.003 -25.709 1.00 0.00 C ATOM 151 OE1 GLU A 10 -0.834 -5.702 -26.702 1.00 0.00 O ATOM 152 OE2 GLU A 10 -1.879 -4.236 -25.518 1.00 0.00 O ATOM 0 H GLU A 10 0.478 -4.943 -21.637 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.937 -5.047 -23.107 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.707 -6.552 -23.151 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.605 -7.071 -24.191 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.220 -4.140 -24.112 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.106 -5.279 -25.107 1.00 0.00 H new ATOM 159 N GLN A 11 -1.578 -7.312 -20.811 1.00 0.00 N ATOM 160 CA GLN A 11 -2.224 -8.449 -20.151 1.00 0.00 C ATOM 161 C GLN A 11 -3.460 -8.000 -19.372 1.00 0.00 C ATOM 162 O GLN A 11 -4.518 -8.625 -19.451 1.00 0.00 O ATOM 163 CB GLN A 11 -1.253 -9.138 -19.185 1.00 0.00 C ATOM 164 CG GLN A 11 -0.058 -9.701 -19.960 1.00 0.00 C ATOM 165 CD GLN A 11 -0.402 -11.086 -20.499 1.00 0.00 C ATOM 166 OE1 GLN A 11 -0.187 -12.093 -19.823 1.00 0.00 O ATOM 167 NE2 GLN A 11 -0.929 -11.200 -21.688 1.00 0.00 N ATOM 0 H GLN A 11 -0.832 -6.874 -20.270 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.524 -9.150 -20.930 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.908 -8.427 -18.434 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.764 -9.941 -18.653 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.201 -9.034 -20.782 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.815 -9.760 -19.310 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.108 -10.367 -22.249 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.162 -12.122 -22.056 1.00 0.00 H new ATOM 176 N LEU A 12 -3.306 -6.913 -18.614 1.00 0.00 N ATOM 177 CA LEU A 12 -4.408 -6.381 -17.809 1.00 0.00 C ATOM 178 C LEU A 12 -5.419 -5.631 -18.681 1.00 0.00 C ATOM 179 O LEU A 12 -5.189 -5.399 -19.871 1.00 0.00 O ATOM 180 CB LEU A 12 -3.873 -5.431 -16.735 1.00 0.00 C ATOM 181 CG LEU A 12 -3.025 -4.263 -17.254 1.00 0.00 C ATOM 182 CD1 LEU A 12 -3.768 -2.943 -17.034 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.695 -4.232 -16.501 1.00 0.00 C ATOM 0 H LEU A 12 -2.435 -6.387 -18.540 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.908 -7.227 -17.337 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.718 -5.025 -16.179 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.274 -6.007 -16.030 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.841 -4.396 -18.320 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.161 -2.117 -17.405 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.716 -2.965 -17.571 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.957 -2.805 -15.969 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.089 -3.403 -16.867 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.883 -4.101 -15.435 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.163 -5.170 -16.663 1.00 0.00 H new ATOM 195 N THR A 13 -6.544 -5.259 -18.064 1.00 0.00 N ATOM 196 CA THR A 13 -7.604 -4.536 -18.771 1.00 0.00 C ATOM 197 C THR A 13 -7.948 -3.240 -18.044 1.00 0.00 C ATOM 198 O THR A 13 -7.448 -2.972 -16.951 1.00 0.00 O ATOM 199 CB THR A 13 -8.879 -5.393 -18.859 1.00 0.00 C ATOM 200 OG1 THR A 13 -8.915 -6.323 -17.784 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.899 -6.146 -20.186 1.00 0.00 C ATOM 0 H THR A 13 -6.744 -5.446 -17.081 1.00 0.00 H new ATOM 0 HA THR A 13 -7.237 -4.313 -19.773 1.00 0.00 H new ATOM 0 HB THR A 13 -9.751 -4.741 -18.797 1.00 0.00 H new ATOM 0 HG1 THR A 13 -9.730 -6.863 -17.846 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.803 -6.752 -20.247 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.885 -5.432 -21.010 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.023 -6.792 -20.251 1.00 0.00 H new ATOM 209 N ASP A 14 -8.832 -2.450 -18.659 1.00 0.00 N ATOM 210 CA ASP A 14 -9.271 -1.190 -18.059 1.00 0.00 C ATOM 211 C ASP A 14 -9.966 -1.460 -16.722 1.00 0.00 C ATOM 212 O ASP A 14 -9.938 -0.626 -15.817 1.00 0.00 O ATOM 213 CB ASP A 14 -10.249 -0.467 -18.987 1.00 0.00 C ATOM 214 CG ASP A 14 -10.408 0.985 -18.540 1.00 0.00 C ATOM 215 OD1 ASP A 14 -9.553 1.787 -18.879 1.00 0.00 O ATOM 216 OD2 ASP A 14 -11.383 1.273 -17.865 1.00 0.00 O ATOM 0 H ASP A 14 -9.254 -2.659 -19.564 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.393 -0.564 -17.900 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -9.885 -0.503 -20.014 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.216 -0.969 -18.974 1.00 0.00 H new ATOM 221 N GLU A 15 -10.590 -2.643 -16.615 1.00 0.00 N ATOM 222 CA GLU A 15 -11.293 -3.034 -15.388 1.00 0.00 C ATOM 223 C GLU A 15 -10.358 -2.989 -14.177 1.00 0.00 C ATOM 224 O GLU A 15 -10.757 -2.541 -13.101 1.00 0.00 O ATOM 225 CB GLU A 15 -11.871 -4.447 -15.522 1.00 0.00 C ATOM 226 CG GLU A 15 -13.296 -4.368 -16.079 1.00 0.00 C ATOM 227 CD GLU A 15 -14.259 -3.947 -14.970 1.00 0.00 C ATOM 228 OE1 GLU A 15 -14.742 -4.820 -14.268 1.00 0.00 O ATOM 229 OE2 GLU A 15 -14.500 -2.757 -14.840 1.00 0.00 O ATOM 0 H GLU A 15 -10.621 -3.340 -17.359 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.104 -2.322 -15.237 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.244 -5.046 -16.182 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.876 -4.942 -14.551 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.337 -3.653 -16.900 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.593 -5.335 -16.484 1.00 0.00 H new ATOM 236 N GLN A 16 -9.109 -3.443 -14.359 1.00 0.00 N ATOM 237 CA GLN A 16 -8.137 -3.426 -13.258 1.00 0.00 C ATOM 238 C GLN A 16 -7.872 -1.985 -12.808 1.00 0.00 C ATOM 239 O GLN A 16 -7.669 -1.724 -11.621 1.00 0.00 O ATOM 240 CB GLN A 16 -6.818 -4.115 -13.667 1.00 0.00 C ATOM 241 CG GLN A 16 -5.908 -3.155 -14.448 1.00 0.00 C ATOM 242 CD GLN A 16 -4.879 -2.534 -13.502 1.00 0.00 C ATOM 243 OE1 GLN A 16 -4.934 -1.338 -13.212 1.00 0.00 O ATOM 244 NE2 GLN A 16 -3.931 -3.281 -12.999 1.00 0.00 N ATOM 0 H GLN A 16 -8.754 -3.819 -15.238 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.561 -3.984 -12.423 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.298 -4.469 -12.777 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.037 -4.991 -14.278 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.401 -3.691 -15.250 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.505 -2.372 -14.915 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.882 -4.272 -13.237 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.240 -2.873 -12.369 1.00 0.00 H new ATOM 253 N LYS A 17 -7.909 -1.049 -13.768 1.00 0.00 N ATOM 254 CA LYS A 17 -7.703 0.366 -13.457 1.00 0.00 C ATOM 255 C LYS A 17 -8.956 0.934 -12.790 1.00 0.00 C ATOM 256 O LYS A 17 -8.869 1.811 -11.933 1.00 0.00 O ATOM 257 CB LYS A 17 -7.402 1.170 -14.726 1.00 0.00 C ATOM 258 CG LYS A 17 -5.887 1.301 -14.901 1.00 0.00 C ATOM 259 CD LYS A 17 -5.384 0.218 -15.862 1.00 0.00 C ATOM 260 CE LYS A 17 -5.313 0.782 -17.283 1.00 0.00 C ATOM 261 NZ LYS A 17 -3.984 1.421 -17.504 1.00 0.00 N ATOM 0 H LYS A 17 -8.078 -1.247 -14.754 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.851 0.445 -12.782 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.838 0.675 -15.594 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.858 2.158 -14.660 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.640 2.289 -15.289 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.390 1.204 -13.936 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.400 -0.131 -15.549 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.051 -0.644 -15.835 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.469 -0.016 -18.009 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.108 1.512 -17.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.939 1.803 -18.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.852 2.193 -16.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.233 0.713 -17.376 1.00 0.00 H new ATOM 275 N ASN A 18 -10.122 0.403 -13.185 1.00 0.00 N ATOM 276 CA ASN A 18 -11.396 0.838 -12.610 1.00 0.00 C ATOM 277 C ASN A 18 -11.424 0.518 -11.114 1.00 0.00 C ATOM 278 O ASN A 18 -11.872 1.329 -10.301 1.00 0.00 O ATOM 279 CB ASN A 18 -12.568 0.127 -13.301 1.00 0.00 C ATOM 280 CG ASN A 18 -13.360 1.133 -14.132 1.00 0.00 C ATOM 281 OD1 ASN A 18 -14.181 1.880 -13.598 1.00 0.00 O ATOM 282 ND2 ASN A 18 -13.163 1.197 -15.421 1.00 0.00 N ATOM 0 H ASN A 18 -10.206 -0.324 -13.896 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.494 1.913 -12.760 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.195 -0.674 -13.940 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.216 -0.335 -12.556 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.689 1.865 -15.985 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.483 0.579 -15.864 1.00 0.00 H new ATOM 289 N GLU A 19 -10.919 -0.672 -10.764 1.00 0.00 N ATOM 290 CA GLU A 19 -10.864 -1.096 -9.362 1.00 0.00 C ATOM 291 C GLU A 19 -9.793 -0.297 -8.622 1.00 0.00 C ATOM 292 O GLU A 19 -9.996 0.127 -7.486 1.00 0.00 O ATOM 293 CB GLU A 19 -10.528 -2.590 -9.250 1.00 0.00 C ATOM 294 CG GLU A 19 -11.546 -3.414 -10.049 1.00 0.00 C ATOM 295 CD GLU A 19 -12.896 -3.403 -9.335 1.00 0.00 C ATOM 296 OE1 GLU A 19 -13.072 -4.201 -8.428 1.00 0.00 O ATOM 297 OE2 GLU A 19 -13.735 -2.599 -9.708 1.00 0.00 O ATOM 0 H GLU A 19 -10.546 -1.352 -11.427 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.844 -0.918 -8.919 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.522 -2.775 -9.626 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.539 -2.897 -8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.652 -3.003 -11.053 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.191 -4.439 -10.160 1.00 0.00 H new ATOM 304 N PHE A 20 -8.652 -0.098 -9.291 1.00 0.00 N ATOM 305 CA PHE A 20 -7.541 0.657 -8.707 1.00 0.00 C ATOM 306 C PHE A 20 -7.957 2.100 -8.428 1.00 0.00 C ATOM 307 O PHE A 20 -7.663 2.645 -7.364 1.00 0.00 O ATOM 308 CB PHE A 20 -6.337 0.660 -9.659 1.00 0.00 C ATOM 309 CG PHE A 20 -5.484 -0.571 -9.435 1.00 0.00 C ATOM 310 CD1 PHE A 20 -6.030 -1.720 -8.845 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.140 -0.557 -9.819 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.234 -2.849 -8.643 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.342 -1.687 -9.618 1.00 0.00 C ATOM 314 CZ PHE A 20 -3.889 -2.834 -9.029 1.00 0.00 C ATOM 0 H PHE A 20 -8.475 -0.448 -10.233 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.265 0.174 -7.770 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.682 0.688 -10.692 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.740 1.558 -9.498 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.068 -1.732 -8.546 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.718 0.328 -10.272 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.656 -3.733 -8.189 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.304 -1.676 -9.917 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.273 -3.707 -8.873 1.00 0.00 H new ATOM 324 N LYS A 21 -8.651 2.705 -9.399 1.00 0.00 N ATOM 325 CA LYS A 21 -9.119 4.083 -9.258 1.00 0.00 C ATOM 326 C LYS A 21 -10.075 4.189 -8.073 1.00 0.00 C ATOM 327 O LYS A 21 -9.886 5.022 -7.189 1.00 0.00 O ATOM 328 CB LYS A 21 -9.835 4.546 -10.536 1.00 0.00 C ATOM 329 CG LYS A 21 -10.264 6.014 -10.399 1.00 0.00 C ATOM 330 CD LYS A 21 -9.025 6.900 -10.237 1.00 0.00 C ATOM 331 CE LYS A 21 -9.434 8.374 -10.305 1.00 0.00 C ATOM 332 NZ LYS A 21 -9.921 8.824 -8.968 1.00 0.00 N ATOM 0 H LYS A 21 -8.898 2.263 -10.284 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.254 4.724 -9.088 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.173 4.431 -11.395 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.708 3.920 -10.720 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.830 6.321 -11.278 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.923 6.132 -9.538 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.538 6.691 -9.284 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.301 6.677 -11.021 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.585 8.983 -10.617 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.216 8.510 -11.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.198 9.825 -9.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.742 8.251 -8.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.163 8.709 -8.266 1.00 0.00 H new ATOM 346 N ALA A 22 -11.095 3.323 -8.065 1.00 0.00 N ATOM 347 CA ALA A 22 -12.079 3.310 -6.978 1.00 0.00 C ATOM 348 C ALA A 22 -11.394 3.070 -5.632 1.00 0.00 C ATOM 349 O ALA A 22 -11.671 3.759 -4.655 1.00 0.00 O ATOM 350 CB ALA A 22 -13.120 2.214 -7.208 1.00 0.00 C ATOM 0 H ALA A 22 -11.260 2.628 -8.793 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.572 4.282 -6.965 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.841 2.220 -6.391 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.637 2.395 -8.150 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.624 1.244 -7.247 1.00 0.00 H new ATOM 356 N ALA A 23 -10.483 2.092 -5.603 1.00 0.00 N ATOM 357 CA ALA A 23 -9.741 1.770 -4.378 1.00 0.00 C ATOM 358 C ALA A 23 -8.863 2.949 -3.937 1.00 0.00 C ATOM 359 O ALA A 23 -8.425 3.009 -2.786 1.00 0.00 O ATOM 360 CB ALA A 23 -8.851 0.541 -4.594 1.00 0.00 C ATOM 0 H ALA A 23 -10.242 1.513 -6.407 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.474 1.560 -3.599 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.309 0.318 -3.675 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.470 -0.314 -4.866 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.140 0.743 -5.395 1.00 0.00 H new ATOM 366 N PHE A 24 -8.612 3.884 -4.861 1.00 0.00 N ATOM 367 CA PHE A 24 -7.794 5.052 -4.555 1.00 0.00 C ATOM 368 C PHE A 24 -8.667 6.209 -4.064 1.00 0.00 C ATOM 369 O PHE A 24 -8.426 6.753 -2.988 1.00 0.00 O ATOM 370 CB PHE A 24 -7.016 5.504 -5.798 1.00 0.00 C ATOM 371 CG PHE A 24 -5.800 6.301 -5.380 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.601 5.642 -5.078 1.00 0.00 C ATOM 373 CD2 PHE A 24 -5.868 7.699 -5.300 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.473 6.379 -4.696 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.740 8.435 -4.917 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.544 7.775 -4.615 1.00 0.00 C ATOM 0 H PHE A 24 -8.963 3.851 -5.818 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.092 4.771 -3.769 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.710 4.636 -6.382 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.657 6.110 -6.439 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.547 4.565 -5.140 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.791 8.209 -5.534 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.549 5.871 -4.464 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.793 9.512 -4.855 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.674 8.343 -4.319 1.00 0.00 H new ATOM 386 N ASP A 25 -9.673 6.592 -4.867 1.00 0.00 N ATOM 387 CA ASP A 25 -10.548 7.710 -4.497 1.00 0.00 C ATOM 388 C ASP A 25 -11.298 7.463 -3.186 1.00 0.00 C ATOM 389 O ASP A 25 -11.614 8.415 -2.471 1.00 0.00 O ATOM 390 CB ASP A 25 -11.552 8.046 -5.613 1.00 0.00 C ATOM 391 CG ASP A 25 -12.300 6.804 -6.098 1.00 0.00 C ATOM 392 OD1 ASP A 25 -13.003 6.199 -5.305 1.00 0.00 O ATOM 393 OD2 ASP A 25 -12.178 6.494 -7.272 1.00 0.00 O ATOM 0 H ASP A 25 -9.896 6.152 -5.760 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.886 8.564 -4.350 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.268 8.782 -5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.025 8.503 -6.451 1.00 0.00 H new ATOM 398 N ILE A 26 -11.576 6.192 -2.860 1.00 0.00 N ATOM 399 CA ILE A 26 -12.279 5.884 -1.606 1.00 0.00 C ATOM 400 C ILE A 26 -11.507 6.468 -0.421 1.00 0.00 C ATOM 401 O ILE A 26 -12.098 6.993 0.525 1.00 0.00 O ATOM 402 CB ILE A 26 -12.450 4.371 -1.409 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.101 3.662 -1.579 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.449 3.838 -2.441 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.266 2.166 -1.316 1.00 0.00 C ATOM 0 H ILE A 26 -11.333 5.381 -3.429 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.271 6.333 -1.663 1.00 0.00 H new ATOM 0 HB ILE A 26 -12.824 4.178 -0.403 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.719 3.823 -2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.369 4.083 -0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.574 2.764 -2.305 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.410 4.335 -2.308 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.075 4.036 -3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.305 1.667 -1.438 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.628 2.013 -0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -11.984 1.749 -2.023 1.00 0.00 H new ATOM 417 N PHE A 27 -10.174 6.394 -0.505 1.00 0.00 N ATOM 418 CA PHE A 27 -9.311 6.940 0.540 1.00 0.00 C ATOM 419 C PHE A 27 -9.065 8.432 0.288 1.00 0.00 C ATOM 420 O PHE A 27 -8.935 9.218 1.229 1.00 0.00 O ATOM 421 CB PHE A 27 -7.965 6.210 0.561 1.00 0.00 C ATOM 422 CG PHE A 27 -8.117 4.867 1.240 1.00 0.00 C ATOM 423 CD1 PHE A 27 -8.079 4.778 2.637 1.00 0.00 C ATOM 424 CD2 PHE A 27 -8.290 3.709 0.472 1.00 0.00 C ATOM 425 CE1 PHE A 27 -8.216 3.534 3.264 1.00 0.00 C ATOM 426 CE2 PHE A 27 -8.427 2.465 1.098 1.00 0.00 C ATOM 427 CZ PHE A 27 -8.390 2.377 2.495 1.00 0.00 C ATOM 0 H PHE A 27 -9.674 5.963 -1.283 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.809 6.804 1.500 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.600 6.073 -0.457 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.224 6.811 1.087 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.944 5.670 3.231 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.318 3.776 -0.606 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.187 3.467 4.342 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.561 1.573 0.504 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.496 1.417 2.979 1.00 0.00 H new ATOM 437 N ILE A 28 -9.004 8.811 -1.000 1.00 0.00 N ATOM 438 CA ILE A 28 -8.773 10.210 -1.381 1.00 0.00 C ATOM 439 C ILE A 28 -10.107 10.940 -1.603 1.00 0.00 C ATOM 440 O ILE A 28 -10.238 11.766 -2.510 1.00 0.00 O ATOM 441 CB ILE A 28 -7.931 10.295 -2.669 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.762 9.300 -2.625 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.364 11.707 -2.837 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.156 9.243 -1.218 1.00 0.00 C ATOM 0 H ILE A 28 -9.111 8.172 -1.788 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.231 10.688 -0.565 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.582 10.051 -3.508 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.109 8.309 -2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.998 9.596 -3.344 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.771 11.755 -3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.183 12.423 -2.899 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.733 11.950 -1.982 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.329 8.533 -1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.790 10.231 -0.939 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.918 8.925 -0.506 1.00 0.00 H new ATOM 456 N GLN A 29 -11.093 10.635 -0.757 1.00 0.00 N ATOM 457 CA GLN A 29 -12.408 11.279 -0.865 1.00 0.00 C ATOM 458 C GLN A 29 -12.312 12.748 -0.443 1.00 0.00 C ATOM 459 O GLN A 29 -13.015 13.605 -0.978 1.00 0.00 O ATOM 460 CB GLN A 29 -13.460 10.562 -0.002 1.00 0.00 C ATOM 461 CG GLN A 29 -12.919 10.302 1.410 1.00 0.00 C ATOM 462 CD GLN A 29 -14.017 9.679 2.266 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.914 10.375 2.743 1.00 0.00 O ATOM 464 NE2 GLN A 29 -14.001 8.392 2.493 1.00 0.00 N ATOM 0 H GLN A 29 -11.011 9.957 0.000 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.722 11.217 -1.907 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.364 11.168 0.056 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.738 9.618 -0.470 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.057 9.637 1.364 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.578 11.235 1.858 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.259 7.814 2.099 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.731 7.966 3.064 1.00 0.00 H new ATOM 473 N ASP A 30 -11.420 13.024 0.513 1.00 0.00 N ATOM 474 CA ASP A 30 -11.215 14.390 0.998 1.00 0.00 C ATOM 475 C ASP A 30 -9.828 14.523 1.638 1.00 0.00 C ATOM 476 O ASP A 30 -9.675 15.096 2.722 1.00 0.00 O ATOM 477 CB ASP A 30 -12.296 14.787 2.017 1.00 0.00 C ATOM 478 CG ASP A 30 -12.712 13.580 2.860 1.00 0.00 C ATOM 479 OD1 ASP A 30 -11.891 13.102 3.628 1.00 0.00 O ATOM 480 OD2 ASP A 30 -13.848 13.154 2.725 1.00 0.00 O ATOM 0 H ASP A 30 -10.832 12.323 0.964 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.285 15.062 0.143 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.919 15.578 2.666 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -13.164 15.190 1.496 1.00 0.00 H new ATOM 485 N ALA A 31 -8.815 13.986 0.948 1.00 0.00 N ATOM 486 CA ALA A 31 -7.440 14.044 1.446 1.00 0.00 C ATOM 487 C ALA A 31 -6.887 15.465 1.329 1.00 0.00 C ATOM 488 O ALA A 31 -7.277 16.229 0.443 1.00 0.00 O ATOM 489 CB ALA A 31 -6.538 13.094 0.653 1.00 0.00 C ATOM 0 H ALA A 31 -8.922 13.511 0.052 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.452 13.742 2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.520 13.152 1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.907 12.073 0.754 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.544 13.380 -0.399 1.00 0.00 H new ATOM 495 N GLU A 32 -5.975 15.804 2.241 1.00 0.00 N ATOM 496 CA GLU A 32 -5.362 17.135 2.251 1.00 0.00 C ATOM 497 C GLU A 32 -4.398 17.311 1.072 1.00 0.00 C ATOM 498 O GLU A 32 -4.295 18.398 0.500 1.00 0.00 O ATOM 499 CB GLU A 32 -4.613 17.375 3.570 1.00 0.00 C ATOM 500 CG GLU A 32 -3.514 16.321 3.764 1.00 0.00 C ATOM 501 CD GLU A 32 -3.486 15.878 5.224 1.00 0.00 C ATOM 502 OE1 GLU A 32 -4.289 15.030 5.580 1.00 0.00 O ATOM 503 OE2 GLU A 32 -2.665 16.393 5.964 1.00 0.00 O ATOM 0 H GLU A 32 -5.645 15.181 2.978 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.164 17.867 2.156 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.173 18.372 3.569 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.313 17.337 4.405 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.699 15.464 3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.546 16.733 3.479 1.00 0.00 H new ATOM 510 N ASP A 33 -3.701 16.229 0.714 1.00 0.00 N ATOM 511 CA ASP A 33 -2.754 16.266 -0.402 1.00 0.00 C ATOM 512 C ASP A 33 -3.324 15.536 -1.620 1.00 0.00 C ATOM 513 O ASP A 33 -3.154 15.978 -2.758 1.00 0.00 O ATOM 514 CB ASP A 33 -1.428 15.613 0.000 1.00 0.00 C ATOM 515 CG ASP A 33 -0.554 16.634 0.724 1.00 0.00 C ATOM 516 OD1 ASP A 33 0.149 17.366 0.048 1.00 0.00 O ATOM 517 OD2 ASP A 33 -0.601 16.666 1.943 1.00 0.00 O ATOM 0 H ASP A 33 -3.774 15.323 1.177 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.581 17.311 -0.659 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.614 14.755 0.646 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.912 15.239 -0.884 1.00 0.00 H new ATOM 522 N GLY A 34 -4.003 14.411 -1.366 1.00 0.00 N ATOM 523 CA GLY A 34 -4.600 13.618 -2.445 1.00 0.00 C ATOM 524 C GLY A 34 -3.863 12.289 -2.624 1.00 0.00 C ATOM 525 O GLY A 34 -3.603 11.860 -3.750 1.00 0.00 O ATOM 0 H GLY A 34 -4.152 14.032 -0.431 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.650 13.428 -2.223 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.568 14.183 -3.376 1.00 0.00 H new ATOM 529 N CYS A 35 -3.528 11.644 -1.502 1.00 0.00 N ATOM 530 CA CYS A 35 -2.817 10.361 -1.539 1.00 0.00 C ATOM 531 C CYS A 35 -3.059 9.574 -0.250 1.00 0.00 C ATOM 532 O CYS A 35 -3.656 10.085 0.702 1.00 0.00 O ATOM 533 CB CYS A 35 -1.304 10.568 -1.722 1.00 0.00 C ATOM 534 SG CYS A 35 -0.832 12.240 -1.204 1.00 0.00 S ATOM 0 H CYS A 35 -3.736 11.985 -0.564 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.204 9.800 -2.389 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.755 9.830 -1.137 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.032 10.413 -2.766 1.00 0.00 H new ATOM 0 HG CYS A 35 0.156 12.659 -1.938 1.00 0.00 H new ATOM 540 N ILE A 36 -2.586 8.322 -0.224 1.00 0.00 N ATOM 541 CA ILE A 36 -2.758 7.477 0.959 1.00 0.00 C ATOM 542 C ILE A 36 -1.429 7.321 1.705 1.00 0.00 C ATOM 543 O ILE A 36 -0.389 7.797 1.251 1.00 0.00 O ATOM 544 CB ILE A 36 -3.298 6.095 0.568 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.354 5.426 -0.436 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.686 6.243 -0.064 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.726 4.193 0.209 1.00 0.00 C ATOM 0 H ILE A 36 -2.089 7.879 -0.997 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.480 7.962 1.616 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.367 5.478 1.464 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.902 5.142 -1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.577 6.125 -0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.067 5.260 -0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.364 6.706 0.652 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.616 6.868 -0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.053 3.713 -0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.165 4.491 1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.511 3.493 0.495 1.00 0.00 H new ATOM 559 N SER A 37 -1.479 6.656 2.860 1.00 0.00 N ATOM 560 CA SER A 37 -0.281 6.447 3.670 1.00 0.00 C ATOM 561 C SER A 37 0.358 5.094 3.367 1.00 0.00 C ATOM 562 O SER A 37 -0.297 4.177 2.868 1.00 0.00 O ATOM 563 CB SER A 37 -0.627 6.510 5.160 1.00 0.00 C ATOM 564 OG SER A 37 0.567 6.676 5.916 1.00 0.00 O ATOM 0 H SER A 37 -2.331 6.256 3.253 1.00 0.00 H new ATOM 0 HA SER A 37 0.426 7.238 3.422 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.310 7.338 5.351 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.139 5.597 5.465 1.00 0.00 H new ATOM 0 HG SER A 37 0.347 6.718 6.870 1.00 0.00 H new ATOM 570 N THR A 38 1.643 4.979 3.703 1.00 0.00 N ATOM 571 CA THR A 38 2.379 3.727 3.494 1.00 0.00 C ATOM 572 C THR A 38 1.720 2.596 4.289 1.00 0.00 C ATOM 573 O THR A 38 1.582 1.474 3.801 1.00 0.00 O ATOM 574 CB THR A 38 3.842 3.868 3.943 1.00 0.00 C ATOM 575 OG1 THR A 38 3.892 4.303 5.299 1.00 0.00 O ATOM 576 CG2 THR A 38 4.563 4.879 3.045 1.00 0.00 C ATOM 0 H THR A 38 2.194 5.730 4.118 1.00 0.00 H new ATOM 0 HA THR A 38 2.357 3.496 2.429 1.00 0.00 H new ATOM 0 HB THR A 38 4.337 2.900 3.862 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.827 4.390 5.581 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.600 4.976 3.366 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.534 4.533 2.012 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.068 5.848 3.117 1.00 0.00 H new ATOM 584 N LYS A 39 1.306 2.919 5.521 1.00 0.00 N ATOM 585 CA LYS A 39 0.646 1.944 6.392 1.00 0.00 C ATOM 586 C LYS A 39 -0.750 1.583 5.860 1.00 0.00 C ATOM 587 O LYS A 39 -1.278 0.510 6.158 1.00 0.00 O ATOM 588 CB LYS A 39 0.514 2.505 7.813 1.00 0.00 C ATOM 589 CG LYS A 39 -0.417 3.725 7.813 1.00 0.00 C ATOM 590 CD LYS A 39 -0.697 4.155 9.254 1.00 0.00 C ATOM 591 CE LYS A 39 -1.939 5.049 9.292 1.00 0.00 C ATOM 592 NZ LYS A 39 -3.169 4.203 9.261 1.00 0.00 N ATOM 0 H LYS A 39 1.417 3.845 5.934 1.00 0.00 H new ATOM 0 HA LYS A 39 1.260 1.044 6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.121 1.738 8.480 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.496 2.787 8.194 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.041 4.545 7.260 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.351 3.482 7.307 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.849 3.278 9.883 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.162 4.691 9.657 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.930 5.662 10.193 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.934 5.732 8.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.937 4.724 8.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.975 3.327 8.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.453 3.968 10.233 1.00 0.00 H new ATOM 606 N GLU A 40 -1.339 2.493 5.071 1.00 0.00 N ATOM 607 CA GLU A 40 -2.671 2.264 4.503 1.00 0.00 C ATOM 608 C GLU A 40 -2.613 1.332 3.281 1.00 0.00 C ATOM 609 O GLU A 40 -3.652 0.975 2.723 1.00 0.00 O ATOM 610 CB GLU A 40 -3.308 3.591 4.079 1.00 0.00 C ATOM 611 CG GLU A 40 -3.897 4.292 5.307 1.00 0.00 C ATOM 612 CD GLU A 40 -4.519 5.621 4.886 1.00 0.00 C ATOM 613 OE1 GLU A 40 -5.679 5.618 4.512 1.00 0.00 O ATOM 614 OE2 GLU A 40 -3.825 6.622 4.946 1.00 0.00 O ATOM 0 H GLU A 40 -0.917 3.386 4.815 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.273 1.791 5.279 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.562 4.230 3.606 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.089 3.412 3.340 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.650 3.658 5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.118 4.462 6.050 1.00 0.00 H new ATOM 621 N LEU A 41 -1.399 0.932 2.874 1.00 0.00 N ATOM 622 CA LEU A 41 -1.244 0.033 1.729 1.00 0.00 C ATOM 623 C LEU A 41 -1.928 -1.308 2.008 1.00 0.00 C ATOM 624 O LEU A 41 -2.582 -1.877 1.138 1.00 0.00 O ATOM 625 CB LEU A 41 0.237 -0.211 1.430 1.00 0.00 C ATOM 626 CG LEU A 41 0.590 -0.372 -0.052 1.00 0.00 C ATOM 627 CD1 LEU A 41 -0.146 -1.584 -0.632 1.00 0.00 C ATOM 628 CD2 LEU A 41 0.178 0.891 -0.816 1.00 0.00 C ATOM 0 H LEU A 41 -0.524 1.214 3.316 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.710 0.506 0.865 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.814 0.620 1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.555 -1.108 1.961 1.00 0.00 H new ATOM 0 HG LEU A 41 1.665 -0.524 -0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.108 -1.694 -1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.151 -2.483 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.222 -1.439 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.429 0.777 -1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.896 1.044 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.708 1.752 -0.408 1.00 0.00 H new ATOM 640 N GLY A 42 -1.777 -1.799 3.241 1.00 0.00 N ATOM 641 CA GLY A 42 -2.394 -3.068 3.635 1.00 0.00 C ATOM 642 C GLY A 42 -3.926 -2.977 3.634 1.00 0.00 C ATOM 643 O GLY A 42 -4.614 -4.000 3.663 1.00 0.00 O ATOM 0 H GLY A 42 -1.238 -1.342 3.977 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.076 -3.855 2.952 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.046 -3.349 4.629 1.00 0.00 H new ATOM 647 N LYS A 43 -4.454 -1.744 3.602 1.00 0.00 N ATOM 648 CA LYS A 43 -5.902 -1.530 3.601 1.00 0.00 C ATOM 649 C LYS A 43 -6.465 -1.633 2.181 1.00 0.00 C ATOM 650 O LYS A 43 -7.554 -2.173 1.975 1.00 0.00 O ATOM 651 CB LYS A 43 -6.237 -0.144 4.166 1.00 0.00 C ATOM 652 CG LYS A 43 -5.570 0.042 5.534 1.00 0.00 C ATOM 653 CD LYS A 43 -6.252 -0.853 6.572 1.00 0.00 C ATOM 654 CE LYS A 43 -6.065 -0.255 7.969 1.00 0.00 C ATOM 655 NZ LYS A 43 -4.651 -0.439 8.412 1.00 0.00 N ATOM 0 H LYS A 43 -3.901 -0.887 3.577 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.353 -2.302 4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.896 0.630 3.478 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.317 -0.033 4.261 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.510 -0.205 5.468 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.636 1.086 5.842 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.314 -0.946 6.345 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.829 -1.857 6.536 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.317 0.805 7.958 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.742 -0.736 8.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.529 -0.031 9.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.425 -1.454 8.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.013 0.040 7.745 1.00 0.00 H new ATOM 669 N VAL A 44 -5.715 -1.106 1.204 1.00 0.00 N ATOM 670 CA VAL A 44 -6.156 -1.145 -0.194 1.00 0.00 C ATOM 671 C VAL A 44 -6.040 -2.562 -0.763 1.00 0.00 C ATOM 672 O VAL A 44 -6.865 -2.975 -1.579 1.00 0.00 O ATOM 673 CB VAL A 44 -5.348 -0.166 -1.062 1.00 0.00 C ATOM 674 CG1 VAL A 44 -5.645 1.270 -0.624 1.00 0.00 C ATOM 675 CG2 VAL A 44 -3.845 -0.435 -0.920 1.00 0.00 C ATOM 0 H VAL A 44 -4.813 -0.654 1.353 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.203 -0.841 -0.214 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.636 -0.305 -2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.072 1.964 -1.239 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.709 1.474 -0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.365 1.397 0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.289 0.267 -1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.550 -0.310 0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.626 -1.454 -1.239 1.00 0.00 H new ATOM 685 N MET A 45 -5.021 -3.308 -0.313 1.00 0.00 N ATOM 686 CA MET A 45 -4.826 -4.687 -0.776 1.00 0.00 C ATOM 687 C MET A 45 -6.027 -5.547 -0.389 1.00 0.00 C ATOM 688 O MET A 45 -6.465 -6.401 -1.158 1.00 0.00 O ATOM 689 CB MET A 45 -3.561 -5.313 -0.170 1.00 0.00 C ATOM 690 CG MET A 45 -2.350 -4.400 -0.392 1.00 0.00 C ATOM 691 SD MET A 45 -1.461 -4.925 -1.878 1.00 0.00 S ATOM 692 CE MET A 45 -2.737 -4.441 -3.062 1.00 0.00 C ATOM 0 H MET A 45 -4.328 -2.984 0.362 1.00 0.00 H new ATOM 0 HA MET A 45 -4.718 -4.652 -1.860 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.707 -5.480 0.897 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.377 -6.287 -0.623 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.676 -3.365 -0.497 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.688 -4.439 0.473 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.282 -4.267 -4.037 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.478 -5.237 -3.144 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.223 -3.527 -2.720 1.00 0.00 H new ATOM 702 N ARG A 46 -6.558 -5.300 0.812 1.00 0.00 N ATOM 703 CA ARG A 46 -7.719 -6.048 1.304 1.00 0.00 C ATOM 704 C ARG A 46 -8.933 -5.816 0.401 1.00 0.00 C ATOM 705 O ARG A 46 -9.711 -6.736 0.140 1.00 0.00 O ATOM 706 CB ARG A 46 -8.074 -5.614 2.729 1.00 0.00 C ATOM 707 CG ARG A 46 -7.368 -6.526 3.734 1.00 0.00 C ATOM 708 CD ARG A 46 -7.836 -6.182 5.150 1.00 0.00 C ATOM 709 NE ARG A 46 -7.134 -7.002 6.139 1.00 0.00 N ATOM 710 CZ ARG A 46 -5.896 -6.701 6.560 1.00 0.00 C ATOM 711 NH1 ARG A 46 -5.271 -5.637 6.109 1.00 0.00 N ATOM 712 NH2 ARG A 46 -5.305 -7.477 7.433 1.00 0.00 N ATOM 0 H ARG A 46 -6.206 -4.593 1.458 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.458 -7.106 1.298 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.775 -4.578 2.890 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.153 -5.660 2.876 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.587 -7.570 3.510 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.288 -6.403 3.656 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.656 -5.126 5.352 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.911 -6.344 5.233 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.600 -7.826 6.519 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.727 -5.027 5.430 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.330 -5.421 6.438 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.786 -8.304 7.788 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.364 -7.255 7.758 1.00 0.00 H new ATOM 726 N MET A 47 -9.080 -4.575 -0.073 1.00 0.00 N ATOM 727 CA MET A 47 -10.200 -4.219 -0.947 1.00 0.00 C ATOM 728 C MET A 47 -9.992 -4.763 -2.364 1.00 0.00 C ATOM 729 O MET A 47 -10.954 -5.131 -3.040 1.00 0.00 O ATOM 730 CB MET A 47 -10.363 -2.696 -1.014 1.00 0.00 C ATOM 731 CG MET A 47 -11.236 -2.225 0.152 1.00 0.00 C ATOM 732 SD MET A 47 -12.310 -0.876 -0.400 1.00 0.00 S ATOM 733 CE MET A 47 -12.776 -0.269 1.239 1.00 0.00 C ATOM 0 H MET A 47 -8.442 -3.806 0.132 1.00 0.00 H new ATOM 0 HA MET A 47 -11.100 -4.667 -0.526 1.00 0.00 H new ATOM 0 HB2 MET A 47 -9.387 -2.213 -0.970 1.00 0.00 H new ATOM 0 HB3 MET A 47 -10.818 -2.409 -1.962 1.00 0.00 H new ATOM 0 HG2 MET A 47 -11.838 -3.053 0.526 1.00 0.00 H new ATOM 0 HG3 MET A 47 -10.608 -1.889 0.977 1.00 0.00 H new ATOM 0 HE1 MET A 47 -13.450 0.581 1.134 1.00 0.00 H new ATOM 0 HE2 MET A 47 -13.277 -1.063 1.792 1.00 0.00 H new ATOM 0 HE3 MET A 47 -11.882 0.042 1.780 1.00 0.00 H new ATOM 743 N LEU A 48 -8.730 -4.807 -2.810 1.00 0.00 N ATOM 744 CA LEU A 48 -8.420 -5.305 -4.153 1.00 0.00 C ATOM 745 C LEU A 48 -8.515 -6.834 -4.204 1.00 0.00 C ATOM 746 O LEU A 48 -9.343 -7.387 -4.929 1.00 0.00 O ATOM 747 CB LEU A 48 -7.015 -4.867 -4.583 1.00 0.00 C ATOM 748 CG LEU A 48 -6.869 -3.376 -4.912 1.00 0.00 C ATOM 749 CD1 LEU A 48 -5.395 -3.041 -5.145 1.00 0.00 C ATOM 750 CD2 LEU A 48 -7.671 -3.048 -6.175 1.00 0.00 C ATOM 0 H LEU A 48 -7.919 -4.508 -2.269 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.153 -4.881 -4.840 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.314 -5.118 -3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.723 -5.446 -5.459 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.247 -2.786 -4.077 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.295 -1.981 -5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.823 -3.270 -4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.014 -3.633 -5.977 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.566 -1.988 -6.407 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.295 -3.641 -7.009 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.723 -3.281 -6.009 1.00 0.00 H new ATOM 762 N GLY A 49 -7.665 -7.507 -3.423 1.00 0.00 N ATOM 763 CA GLY A 49 -7.667 -8.973 -3.384 1.00 0.00 C ATOM 764 C GLY A 49 -6.326 -9.519 -2.888 1.00 0.00 C ATOM 765 O GLY A 49 -5.716 -10.375 -3.531 1.00 0.00 O ATOM 0 H GLY A 49 -6.974 -7.067 -2.816 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.467 -9.320 -2.731 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.876 -9.365 -4.379 1.00 0.00 H new ATOM 769 N GLN A 50 -5.879 -9.014 -1.734 1.00 0.00 N ATOM 770 CA GLN A 50 -4.611 -9.446 -1.143 1.00 0.00 C ATOM 771 C GLN A 50 -4.610 -9.202 0.366 1.00 0.00 C ATOM 772 O GLN A 50 -5.303 -8.311 0.864 1.00 0.00 O ATOM 773 CB GLN A 50 -3.440 -8.684 -1.770 1.00 0.00 C ATOM 774 CG GLN A 50 -2.695 -9.607 -2.733 1.00 0.00 C ATOM 775 CD GLN A 50 -1.359 -8.978 -3.120 1.00 0.00 C ATOM 776 OE1 GLN A 50 -0.532 -8.679 -2.257 1.00 0.00 O ATOM 777 NE2 GLN A 50 -1.093 -8.760 -4.380 1.00 0.00 N ATOM 0 H GLN A 50 -6.376 -8.307 -1.192 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.498 -10.512 -1.338 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.806 -7.805 -2.300 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.764 -8.329 -0.992 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.529 -10.578 -2.266 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.298 -9.781 -3.624 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.777 -9.007 -5.096 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.202 -8.343 -4.648 1.00 0.00 H new ATOM 786 N ASN A 51 -3.822 -10.004 1.088 1.00 0.00 N ATOM 787 CA ASN A 51 -3.738 -9.868 2.543 1.00 0.00 C ATOM 788 C ASN A 51 -2.313 -10.147 3.039 1.00 0.00 C ATOM 789 O ASN A 51 -2.031 -11.213 3.595 1.00 0.00 O ATOM 790 CB ASN A 51 -4.718 -10.834 3.221 1.00 0.00 C ATOM 791 CG ASN A 51 -5.061 -10.324 4.618 1.00 0.00 C ATOM 792 OD1 ASN A 51 -4.249 -10.424 5.539 1.00 0.00 O ATOM 793 ND2 ASN A 51 -6.226 -9.777 4.834 1.00 0.00 N ATOM 0 H ASN A 51 -3.241 -10.744 0.695 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.002 -8.843 2.802 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.625 -10.925 2.624 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.277 -11.829 3.285 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.463 -9.433 5.764 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.899 -9.694 4.072 1.00 0.00 H new ATOM 800 N PRO A 52 -1.401 -9.182 2.850 1.00 0.00 N ATOM 801 CA PRO A 52 0.003 -9.316 3.290 1.00 0.00 C ATOM 802 C PRO A 52 0.191 -8.954 4.767 1.00 0.00 C ATOM 803 O PRO A 52 -0.780 -8.825 5.517 1.00 0.00 O ATOM 804 CB PRO A 52 0.716 -8.307 2.393 1.00 0.00 C ATOM 805 CG PRO A 52 -0.323 -7.278 1.966 1.00 0.00 C ATOM 806 CD PRO A 52 -1.708 -7.899 2.184 1.00 0.00 C ATOM 0 HA PRO A 52 0.376 -10.337 3.209 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.536 -7.828 2.928 1.00 0.00 H new ATOM 0 HB3 PRO A 52 1.148 -8.802 1.523 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.218 -6.363 2.549 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.186 -7.007 0.919 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.341 -7.264 2.804 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.235 -8.050 1.242 1.00 0.00 H new ATOM 814 N THR A 53 1.453 -8.781 5.168 1.00 0.00 N ATOM 815 CA THR A 53 1.775 -8.422 6.551 1.00 0.00 C ATOM 816 C THR A 53 2.349 -7.001 6.589 1.00 0.00 C ATOM 817 O THR A 53 2.598 -6.404 5.541 1.00 0.00 O ATOM 818 CB THR A 53 2.798 -9.411 7.149 1.00 0.00 C ATOM 819 OG1 THR A 53 4.120 -8.991 6.839 1.00 0.00 O ATOM 820 CG2 THR A 53 2.570 -10.812 6.579 1.00 0.00 C ATOM 0 H THR A 53 2.264 -8.883 4.558 1.00 0.00 H new ATOM 0 HA THR A 53 0.862 -8.468 7.145 1.00 0.00 H new ATOM 0 HB THR A 53 2.667 -9.434 8.231 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.763 -9.623 7.224 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.297 -11.502 7.007 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.563 -11.146 6.827 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.688 -10.788 5.496 1.00 0.00 H new ATOM 828 N PRO A 54 2.579 -6.444 7.783 1.00 0.00 N ATOM 829 CA PRO A 54 3.144 -5.085 7.910 1.00 0.00 C ATOM 830 C PRO A 54 4.631 -5.038 7.554 1.00 0.00 C ATOM 831 O PRO A 54 5.139 -4.018 7.087 1.00 0.00 O ATOM 832 CB PRO A 54 2.908 -4.763 9.380 1.00 0.00 C ATOM 833 CG PRO A 54 2.772 -6.093 10.107 1.00 0.00 C ATOM 834 CD PRO A 54 2.309 -7.122 9.072 1.00 0.00 C ATOM 0 HA PRO A 54 2.685 -4.369 7.228 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.737 -4.184 9.786 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.008 -4.161 9.504 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.723 -6.391 10.548 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.053 -6.015 10.922 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.861 -8.058 9.159 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.252 -7.363 9.188 1.00 0.00 H new ATOM 842 N GLU A 55 5.316 -6.166 7.766 1.00 0.00 N ATOM 843 CA GLU A 55 6.741 -6.268 7.450 1.00 0.00 C ATOM 844 C GLU A 55 6.934 -6.605 5.968 1.00 0.00 C ATOM 845 O GLU A 55 7.869 -6.124 5.327 1.00 0.00 O ATOM 846 CB GLU A 55 7.407 -7.363 8.293 1.00 0.00 C ATOM 847 CG GLU A 55 6.938 -7.263 9.748 1.00 0.00 C ATOM 848 CD GLU A 55 7.721 -8.253 10.607 1.00 0.00 C ATOM 849 OE1 GLU A 55 7.305 -9.398 10.685 1.00 0.00 O ATOM 850 OE2 GLU A 55 8.723 -7.852 11.176 1.00 0.00 O ATOM 0 H GLU A 55 4.908 -7.017 8.153 1.00 0.00 H new ATOM 0 HA GLU A 55 7.202 -5.306 7.675 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.160 -8.345 7.889 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.491 -7.262 8.244 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.084 -6.249 10.119 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.871 -7.475 9.812 1.00 0.00 H new ATOM 857 N GLU A 56 6.036 -7.448 5.441 1.00 0.00 N ATOM 858 CA GLU A 56 6.105 -7.867 4.040 1.00 0.00 C ATOM 859 C GLU A 56 5.692 -6.729 3.102 1.00 0.00 C ATOM 860 O GLU A 56 6.407 -6.414 2.148 1.00 0.00 O ATOM 861 CB GLU A 56 5.188 -9.071 3.802 1.00 0.00 C ATOM 862 CG GLU A 56 5.617 -9.804 2.528 1.00 0.00 C ATOM 863 CD GLU A 56 4.818 -11.097 2.389 1.00 0.00 C ATOM 864 OE1 GLU A 56 3.671 -11.022 1.978 1.00 0.00 O ATOM 865 OE2 GLU A 56 5.365 -12.144 2.695 1.00 0.00 O ATOM 0 H GLU A 56 5.258 -7.850 5.963 1.00 0.00 H new ATOM 0 HA GLU A 56 7.138 -8.142 3.827 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.233 -9.748 4.655 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.153 -8.740 3.712 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.454 -9.168 1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.684 -10.026 2.565 1.00 0.00 H new ATOM 872 N LEU A 57 4.531 -6.122 3.378 1.00 0.00 N ATOM 873 CA LEU A 57 4.033 -5.022 2.543 1.00 0.00 C ATOM 874 C LEU A 57 4.978 -3.813 2.589 1.00 0.00 C ATOM 875 O LEU A 57 5.022 -3.021 1.647 1.00 0.00 O ATOM 876 CB LEU A 57 2.618 -4.601 2.986 1.00 0.00 C ATOM 877 CG LEU A 57 2.477 -3.187 3.569 1.00 0.00 C ATOM 878 CD1 LEU A 57 0.997 -2.821 3.664 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.101 -3.134 4.968 1.00 0.00 C ATOM 0 H LEU A 57 3.926 -6.369 4.161 1.00 0.00 H new ATOM 0 HA LEU A 57 3.990 -5.383 1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.952 -4.684 2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.267 -5.314 3.732 1.00 0.00 H new ATOM 0 HG LEU A 57 2.991 -2.480 2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.896 -1.818 4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.550 -2.850 2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.487 -3.534 4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.997 -2.128 5.375 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.592 -3.844 5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.158 -3.392 4.905 1.00 0.00 H new ATOM 891 N GLN A 58 5.731 -3.679 3.691 1.00 0.00 N ATOM 892 CA GLN A 58 6.665 -2.559 3.840 1.00 0.00 C ATOM 893 C GLN A 58 7.634 -2.500 2.658 1.00 0.00 C ATOM 894 O GLN A 58 7.859 -1.434 2.085 1.00 0.00 O ATOM 895 CB GLN A 58 7.468 -2.683 5.140 1.00 0.00 C ATOM 896 CG GLN A 58 8.046 -1.314 5.522 1.00 0.00 C ATOM 897 CD GLN A 58 6.910 -0.350 5.856 1.00 0.00 C ATOM 898 OE1 GLN A 58 6.407 0.406 4.915 1.00 0.00 O flip ATOM 899 NE2 GLN A 58 6.467 -0.278 7.003 1.00 0.00 N flip ATOM 0 H GLN A 58 5.711 -4.324 4.481 1.00 0.00 H new ATOM 0 HA GLN A 58 6.074 -1.643 3.870 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.828 -3.055 5.940 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.273 -3.406 5.014 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.713 -1.416 6.378 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.642 -0.918 4.700 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.858 -0.867 7.739 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.709 0.370 7.217 1.00 0.00 H new ATOM 908 N GLU A 59 8.197 -3.661 2.297 1.00 0.00 N ATOM 909 CA GLU A 59 9.134 -3.735 1.176 1.00 0.00 C ATOM 910 C GLU A 59 8.459 -3.322 -0.132 1.00 0.00 C ATOM 911 O GLU A 59 9.078 -2.685 -0.984 1.00 0.00 O ATOM 912 CB GLU A 59 9.692 -5.154 1.026 1.00 0.00 C ATOM 913 CG GLU A 59 11.103 -5.212 1.616 1.00 0.00 C ATOM 914 CD GLU A 59 12.084 -4.513 0.674 1.00 0.00 C ATOM 915 OE1 GLU A 59 12.248 -3.311 0.802 1.00 0.00 O ATOM 916 OE2 GLU A 59 12.658 -5.193 -0.162 1.00 0.00 O ATOM 0 H GLU A 59 8.020 -4.552 2.762 1.00 0.00 H new ATOM 0 HA GLU A 59 9.951 -3.046 1.389 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.044 -5.867 1.535 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.714 -5.438 -0.026 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.119 -4.732 2.594 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.403 -6.249 1.765 1.00 0.00 H new ATOM 923 N MET A 60 7.182 -3.689 -0.281 1.00 0.00 N ATOM 924 CA MET A 60 6.431 -3.346 -1.491 1.00 0.00 C ATOM 925 C MET A 60 6.207 -1.835 -1.579 1.00 0.00 C ATOM 926 O MET A 60 6.337 -1.245 -2.652 1.00 0.00 O ATOM 927 CB MET A 60 5.074 -4.061 -1.506 1.00 0.00 C ATOM 928 CG MET A 60 5.228 -5.443 -2.145 1.00 0.00 C ATOM 929 SD MET A 60 5.843 -6.619 -0.912 1.00 0.00 S ATOM 930 CE MET A 60 6.161 -7.995 -2.043 1.00 0.00 C ATOM 0 H MET A 60 6.653 -4.217 0.413 1.00 0.00 H new ATOM 0 HA MET A 60 7.018 -3.671 -2.350 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.693 -4.160 -0.490 1.00 0.00 H new ATOM 0 HB3 MET A 60 4.347 -3.471 -2.063 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.269 -5.781 -2.538 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.918 -5.390 -2.987 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.553 -8.843 -1.482 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.232 -8.284 -2.535 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.889 -7.688 -2.794 1.00 0.00 H new ATOM 940 N ILE A 61 5.868 -1.215 -0.440 1.00 0.00 N ATOM 941 CA ILE A 61 5.625 0.228 -0.397 1.00 0.00 C ATOM 942 C ILE A 61 6.837 1.009 -0.917 1.00 0.00 C ATOM 943 O ILE A 61 6.777 1.612 -1.985 1.00 0.00 O ATOM 944 CB ILE A 61 5.310 0.662 1.038 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.943 0.107 1.437 1.00 0.00 C ATOM 946 CG2 ILE A 61 5.292 2.189 1.133 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.955 -0.259 2.919 1.00 0.00 C ATOM 0 H ILE A 61 5.757 -1.689 0.456 1.00 0.00 H new ATOM 0 HA ILE A 61 4.773 0.447 -1.041 1.00 0.00 H new ATOM 0 HB ILE A 61 6.077 0.277 1.710 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.167 0.847 1.240 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.706 -0.771 0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.067 2.487 2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.267 2.583 0.846 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.529 2.586 0.464 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.980 -0.655 3.204 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.720 -1.013 3.101 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.173 0.630 3.511 1.00 0.00 H new ATOM 959 N ASP A 62 7.932 0.998 -0.148 1.00 0.00 N ATOM 960 CA ASP A 62 9.149 1.720 -0.547 1.00 0.00 C ATOM 961 C ASP A 62 9.570 1.357 -1.979 1.00 0.00 C ATOM 962 O ASP A 62 10.084 2.202 -2.715 1.00 0.00 O ATOM 963 CB ASP A 62 10.307 1.424 0.419 1.00 0.00 C ATOM 964 CG ASP A 62 10.841 0.006 0.210 1.00 0.00 C ATOM 965 OD1 ASP A 62 10.332 -0.895 0.849 1.00 0.00 O ATOM 966 OD2 ASP A 62 11.757 -0.153 -0.582 1.00 0.00 O ATOM 0 H ASP A 62 8.003 0.505 0.742 1.00 0.00 H new ATOM 0 HA ASP A 62 8.918 2.785 -0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.109 2.146 0.264 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.967 1.541 1.448 1.00 0.00 H new ATOM 971 N GLU A 63 9.343 0.094 -2.360 1.00 0.00 N ATOM 972 CA GLU A 63 9.698 -0.376 -3.704 1.00 0.00 C ATOM 973 C GLU A 63 8.972 0.447 -4.772 1.00 0.00 C ATOM 974 O GLU A 63 9.594 0.944 -5.714 1.00 0.00 O ATOM 975 CB GLU A 63 9.333 -1.856 -3.876 1.00 0.00 C ATOM 976 CG GLU A 63 10.552 -2.728 -3.555 1.00 0.00 C ATOM 977 CD GLU A 63 11.396 -2.912 -4.813 1.00 0.00 C ATOM 978 OE1 GLU A 63 11.123 -3.839 -5.558 1.00 0.00 O ATOM 979 OE2 GLU A 63 12.305 -2.123 -5.012 1.00 0.00 O ATOM 0 H GLU A 63 8.919 -0.615 -1.762 1.00 0.00 H new ATOM 0 HA GLU A 63 10.775 -0.255 -3.824 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.504 -2.115 -3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.999 -2.042 -4.897 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.148 -2.263 -2.770 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.229 -3.698 -3.177 1.00 0.00 H new ATOM 986 N VAL A 64 7.653 0.588 -4.610 1.00 0.00 N ATOM 987 CA VAL A 64 6.846 1.361 -5.563 1.00 0.00 C ATOM 988 C VAL A 64 6.990 2.870 -5.316 1.00 0.00 C ATOM 989 O VAL A 64 6.764 3.671 -6.225 1.00 0.00 O ATOM 990 CB VAL A 64 5.361 0.982 -5.466 1.00 0.00 C ATOM 991 CG1 VAL A 64 5.191 -0.520 -5.708 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.821 1.342 -4.078 1.00 0.00 C ATOM 0 H VAL A 64 7.125 0.183 -3.837 1.00 0.00 H new ATOM 0 HA VAL A 64 7.216 1.122 -6.560 1.00 0.00 H new ATOM 0 HB VAL A 64 4.804 1.534 -6.223 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.135 -0.783 -5.638 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.563 -0.773 -6.701 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.754 -1.075 -4.958 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.767 1.071 -4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.381 0.798 -3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.930 2.414 -3.912 1.00 0.00 H new ATOM 1002 N ASP A 65 7.360 3.247 -4.082 1.00 0.00 N ATOM 1003 CA ASP A 65 7.524 4.661 -3.734 1.00 0.00 C ATOM 1004 C ASP A 65 8.765 5.222 -4.432 1.00 0.00 C ATOM 1005 O ASP A 65 9.857 5.274 -3.860 1.00 0.00 O ATOM 1006 CB ASP A 65 7.658 4.834 -2.212 1.00 0.00 C ATOM 1007 CG ASP A 65 6.861 6.055 -1.753 1.00 0.00 C ATOM 1008 OD1 ASP A 65 7.155 7.145 -2.215 1.00 0.00 O ATOM 1009 OD2 ASP A 65 5.962 5.880 -0.945 1.00 0.00 O ATOM 0 H ASP A 65 7.549 2.598 -3.318 1.00 0.00 H new ATOM 0 HA ASP A 65 6.641 5.207 -4.067 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.296 3.941 -1.703 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.707 4.952 -1.942 1.00 0.00 H new ATOM 1014 N GLU A 66 8.576 5.621 -5.690 1.00 0.00 N ATOM 1015 CA GLU A 66 9.673 6.164 -6.502 1.00 0.00 C ATOM 1016 C GLU A 66 10.232 7.458 -5.907 1.00 0.00 C ATOM 1017 O GLU A 66 11.441 7.698 -5.951 1.00 0.00 O ATOM 1018 CB GLU A 66 9.192 6.445 -7.928 1.00 0.00 C ATOM 1019 CG GLU A 66 9.171 5.142 -8.729 1.00 0.00 C ATOM 1020 CD GLU A 66 9.250 5.460 -10.220 1.00 0.00 C ATOM 1021 OE1 GLU A 66 10.356 5.573 -10.724 1.00 0.00 O ATOM 1022 OE2 GLU A 66 8.205 5.585 -10.835 1.00 0.00 O ATOM 0 H GLU A 66 7.677 5.580 -6.171 1.00 0.00 H new ATOM 0 HA GLU A 66 10.464 5.414 -6.514 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.196 6.886 -7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.850 7.169 -8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.009 4.509 -8.436 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.260 4.584 -8.513 1.00 0.00 H new ATOM 1029 N ASP A 67 9.345 8.290 -5.359 1.00 0.00 N ATOM 1030 CA ASP A 67 9.766 9.565 -4.767 1.00 0.00 C ATOM 1031 C ASP A 67 10.307 9.357 -3.348 1.00 0.00 C ATOM 1032 O ASP A 67 11.305 9.969 -2.962 1.00 0.00 O ATOM 1033 CB ASP A 67 8.600 10.570 -4.731 1.00 0.00 C ATOM 1034 CG ASP A 67 7.339 9.910 -4.170 1.00 0.00 C ATOM 1035 OD1 ASP A 67 6.662 9.229 -4.922 1.00 0.00 O ATOM 1036 OD2 ASP A 67 7.070 10.097 -2.997 1.00 0.00 O ATOM 0 H ASP A 67 8.342 8.109 -5.312 1.00 0.00 H new ATOM 0 HA ASP A 67 10.560 9.969 -5.394 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.872 11.429 -4.117 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.405 10.945 -5.736 1.00 0.00 H new ATOM 1041 N GLY A 68 9.642 8.490 -2.579 1.00 0.00 N ATOM 1042 CA GLY A 68 10.064 8.208 -1.206 1.00 0.00 C ATOM 1043 C GLY A 68 9.740 9.382 -0.288 1.00 0.00 C ATOM 1044 O GLY A 68 10.594 9.845 0.471 1.00 0.00 O ATOM 0 H GLY A 68 8.815 7.975 -2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.564 7.309 -0.845 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.135 8.008 -1.184 1.00 0.00 H new ATOM 1048 N SER A 69 8.495 9.857 -0.370 1.00 0.00 N ATOM 1049 CA SER A 69 8.058 10.983 0.454 1.00 0.00 C ATOM 1050 C SER A 69 7.381 10.489 1.732 1.00 0.00 C ATOM 1051 O SER A 69 7.719 10.918 2.837 1.00 0.00 O ATOM 1052 CB SER A 69 7.079 11.876 -0.319 1.00 0.00 C ATOM 1053 OG SER A 69 5.935 11.116 -0.700 1.00 0.00 O ATOM 0 H SER A 69 7.779 9.483 -0.993 1.00 0.00 H new ATOM 0 HA SER A 69 8.944 11.562 0.716 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.777 12.721 0.299 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.566 12.286 -1.204 1.00 0.00 H new ATOM 0 HG SER A 69 6.126 10.632 -1.530 1.00 0.00 H new ATOM 1059 N GLY A 70 6.411 9.587 1.561 1.00 0.00 N ATOM 1060 CA GLY A 70 5.669 9.036 2.694 1.00 0.00 C ATOM 1061 C GLY A 70 4.257 8.629 2.268 1.00 0.00 C ATOM 1062 O GLY A 70 3.689 7.674 2.800 1.00 0.00 O ATOM 0 H GLY A 70 6.123 9.225 0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.197 8.171 3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.614 9.775 3.494 1.00 0.00 H new ATOM 1066 N THR A 71 3.700 9.364 1.300 1.00 0.00 N ATOM 1067 CA THR A 71 2.355 9.072 0.803 1.00 0.00 C ATOM 1068 C THR A 71 2.432 8.290 -0.509 1.00 0.00 C ATOM 1069 O THR A 71 3.406 8.403 -1.259 1.00 0.00 O ATOM 1070 CB THR A 71 1.562 10.368 0.574 1.00 0.00 C ATOM 1071 OG1 THR A 71 2.154 11.118 -0.484 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.560 11.200 1.859 1.00 0.00 C ATOM 0 H THR A 71 4.156 10.158 0.850 1.00 0.00 H new ATOM 0 HA THR A 71 1.844 8.472 1.556 1.00 0.00 H new ATOM 0 HB THR A 71 0.536 10.119 0.302 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.459 11.623 -0.956 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.997 12.119 1.696 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.096 10.628 2.662 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.585 11.446 2.135 1.00 0.00 H new ATOM 1080 N VAL A 72 1.394 7.496 -0.776 1.00 0.00 N ATOM 1081 CA VAL A 72 1.352 6.696 -2.000 1.00 0.00 C ATOM 1082 C VAL A 72 0.371 7.302 -2.998 1.00 0.00 C ATOM 1083 O VAL A 72 -0.838 7.343 -2.758 1.00 0.00 O ATOM 1084 CB VAL A 72 0.932 5.253 -1.696 1.00 0.00 C ATOM 1085 CG1 VAL A 72 1.153 4.381 -2.935 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.770 4.707 -0.537 1.00 0.00 C ATOM 0 H VAL A 72 0.581 7.390 -0.169 1.00 0.00 H new ATOM 0 HA VAL A 72 2.354 6.692 -2.429 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.123 5.237 -1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.854 3.356 -2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.555 4.765 -3.762 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.208 4.400 -3.210 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.470 3.681 -0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.825 4.727 -0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.613 5.324 0.348 1.00 0.00 H new ATOM 1096 N ASP A 73 0.910 7.762 -4.126 1.00 0.00 N ATOM 1097 CA ASP A 73 0.084 8.354 -5.175 1.00 0.00 C ATOM 1098 C ASP A 73 -0.458 7.257 -6.090 1.00 0.00 C ATOM 1099 O ASP A 73 -0.178 6.074 -5.892 1.00 0.00 O ATOM 1100 CB ASP A 73 0.898 9.353 -6.007 1.00 0.00 C ATOM 1101 CG ASP A 73 1.237 10.576 -5.156 1.00 0.00 C ATOM 1102 OD1 ASP A 73 0.328 11.332 -4.849 1.00 0.00 O ATOM 1103 OD2 ASP A 73 2.400 10.740 -4.825 1.00 0.00 O ATOM 0 H ASP A 73 1.908 7.736 -4.336 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.745 8.881 -4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.813 8.882 -6.365 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.330 9.656 -6.887 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.240 7.660 -7.091 1.00 0.00 N ATOM 1109 CA PHE A 74 -1.823 6.699 -8.032 1.00 0.00 C ATOM 1110 C PHE A 74 -0.737 6.001 -8.856 1.00 0.00 C ATOM 1111 O PHE A 74 -0.869 4.825 -9.195 1.00 0.00 O ATOM 1112 CB PHE A 74 -2.805 7.399 -8.977 1.00 0.00 C ATOM 1113 CG PHE A 74 -3.763 6.389 -9.566 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.359 5.420 -8.749 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.060 6.428 -10.931 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.246 4.489 -9.298 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -4.949 5.498 -11.482 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.542 4.528 -10.665 1.00 0.00 C ATOM 0 H PHE A 74 -1.484 8.634 -7.272 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.355 5.949 -7.446 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.359 8.166 -8.436 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.259 7.903 -9.774 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.133 5.392 -7.693 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.603 7.177 -11.561 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.702 3.740 -8.667 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.177 5.529 -12.537 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.228 3.810 -11.090 1.00 0.00 H new ATOM 1128 N ASP A 75 0.343 6.730 -9.163 1.00 0.00 N ATOM 1129 CA ASP A 75 1.449 6.158 -9.937 1.00 0.00 C ATOM 1130 C ASP A 75 2.123 5.035 -9.147 1.00 0.00 C ATOM 1131 O ASP A 75 2.507 4.009 -9.709 1.00 0.00 O ATOM 1132 CB ASP A 75 2.488 7.236 -10.274 1.00 0.00 C ATOM 1133 CG ASP A 75 2.236 7.766 -11.683 1.00 0.00 C ATOM 1134 OD1 ASP A 75 2.773 7.191 -12.615 1.00 0.00 O ATOM 1135 OD2 ASP A 75 1.510 8.739 -11.807 1.00 0.00 O ATOM 0 H ASP A 75 0.473 7.704 -8.891 1.00 0.00 H new ATOM 0 HA ASP A 75 1.041 5.755 -10.864 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.429 8.051 -9.552 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.493 6.821 -10.205 1.00 0.00 H new ATOM 1140 N GLU A 76 2.239 5.239 -7.832 1.00 0.00 N ATOM 1141 CA GLU A 76 2.843 4.238 -6.947 1.00 0.00 C ATOM 1142 C GLU A 76 1.811 3.167 -6.573 1.00 0.00 C ATOM 1143 O GLU A 76 2.164 2.053 -6.178 1.00 0.00 O ATOM 1144 CB GLU A 76 3.360 4.892 -5.658 1.00 0.00 C ATOM 1145 CG GLU A 76 4.021 6.239 -5.976 1.00 0.00 C ATOM 1146 CD GLU A 76 4.204 7.044 -4.689 1.00 0.00 C ATOM 1147 OE1 GLU A 76 4.680 6.484 -3.716 1.00 0.00 O ATOM 1148 OE2 GLU A 76 3.861 8.213 -4.693 1.00 0.00 O ATOM 0 H GLU A 76 1.924 6.085 -7.357 1.00 0.00 H new ATOM 0 HA GLU A 76 3.676 3.781 -7.481 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.536 5.039 -4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.078 4.233 -5.170 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.987 6.076 -6.454 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.406 6.798 -6.681 1.00 0.00 H new ATOM 1155 N PHE A 77 0.531 3.527 -6.704 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.570 2.616 -6.386 1.00 0.00 C ATOM 1157 C PHE A 77 -0.767 1.583 -7.506 1.00 0.00 C ATOM 1158 O PHE A 77 -1.056 0.416 -7.240 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.865 3.421 -6.193 1.00 0.00 C ATOM 1160 CG PHE A 77 -3.002 2.506 -5.808 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -3.187 2.136 -4.469 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -3.875 2.030 -6.793 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -4.244 1.289 -4.119 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -4.931 1.184 -6.441 1.00 0.00 C ATOM 1165 CZ PHE A 77 -5.117 0.813 -5.104 1.00 0.00 C ATOM 0 H PHE A 77 0.232 4.446 -7.029 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.325 2.085 -5.466 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.720 4.176 -5.420 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.112 3.951 -7.113 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.515 2.504 -3.708 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.733 2.316 -7.825 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.387 1.002 -3.088 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.604 0.816 -7.201 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.933 0.160 -4.833 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.619 2.030 -8.758 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.793 1.142 -9.913 1.00 0.00 C ATOM 1177 C LEU A 78 0.397 0.196 -10.090 1.00 0.00 C ATOM 1178 O LEU A 78 0.214 -0.974 -10.416 1.00 0.00 O ATOM 1179 CB LEU A 78 -0.959 1.967 -11.187 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.231 2.817 -11.252 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -1.929 4.118 -11.993 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.327 2.044 -11.993 1.00 0.00 C ATOM 0 H LEU A 78 -0.381 2.993 -8.996 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.686 0.544 -9.728 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.096 2.625 -11.290 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.949 1.291 -12.042 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.572 3.044 -10.242 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.832 4.727 -12.042 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.150 4.666 -11.463 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.589 3.891 -13.004 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.232 2.650 -12.039 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.991 1.816 -13.005 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.539 1.115 -11.463 1.00 0.00 H new ATOM 1194 N VAL A 79 1.615 0.711 -9.883 1.00 0.00 N ATOM 1195 CA VAL A 79 2.829 -0.115 -10.036 1.00 0.00 C ATOM 1196 C VAL A 79 2.791 -1.346 -9.120 1.00 0.00 C ATOM 1197 O VAL A 79 3.414 -2.366 -9.416 1.00 0.00 O ATOM 1198 CB VAL A 79 4.097 0.690 -9.730 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.354 1.696 -10.856 1.00 0.00 C ATOM 1200 CG2 VAL A 79 3.942 1.439 -8.403 1.00 0.00 C ATOM 0 H VAL A 79 1.790 1.679 -9.613 1.00 0.00 H new ATOM 0 HA VAL A 79 2.852 -0.442 -11.076 1.00 0.00 H new ATOM 0 HB VAL A 79 4.939 0.003 -9.654 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.256 2.267 -10.635 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.483 1.163 -11.798 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.506 2.376 -10.937 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.849 2.007 -8.197 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.094 2.121 -8.467 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.772 0.723 -7.599 1.00 0.00 H new ATOM 1210 N MET A 80 2.055 -1.235 -8.013 1.00 0.00 N ATOM 1211 CA MET A 80 1.924 -2.336 -7.047 1.00 0.00 C ATOM 1212 C MET A 80 1.538 -3.659 -7.728 1.00 0.00 C ATOM 1213 O MET A 80 1.885 -4.737 -7.242 1.00 0.00 O ATOM 1214 CB MET A 80 0.846 -1.995 -6.017 1.00 0.00 C ATOM 1215 CG MET A 80 1.490 -1.328 -4.801 1.00 0.00 C ATOM 1216 SD MET A 80 0.413 -0.003 -4.193 1.00 0.00 S ATOM 1217 CE MET A 80 -1.027 -1.028 -3.799 1.00 0.00 C ATOM 0 H MET A 80 1.538 -0.393 -7.759 1.00 0.00 H new ATOM 0 HA MET A 80 2.896 -2.460 -6.569 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.104 -1.330 -6.459 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.321 -2.900 -5.712 1.00 0.00 H new ATOM 0 HG2 MET A 80 1.656 -2.065 -4.015 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.466 -0.923 -5.070 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.504 -0.653 -2.893 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.737 -0.991 -4.625 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.708 -2.058 -3.641 1.00 0.00 H new ATOM 1227 N MET A 81 0.801 -3.569 -8.841 1.00 0.00 N ATOM 1228 CA MET A 81 0.359 -4.772 -9.558 1.00 0.00 C ATOM 1229 C MET A 81 1.467 -5.362 -10.446 1.00 0.00 C ATOM 1230 O MET A 81 1.590 -6.584 -10.556 1.00 0.00 O ATOM 1231 CB MET A 81 -0.880 -4.469 -10.419 1.00 0.00 C ATOM 1232 CG MET A 81 -0.558 -3.411 -11.478 1.00 0.00 C ATOM 1233 SD MET A 81 -0.573 -4.164 -13.122 1.00 0.00 S ATOM 1234 CE MET A 81 -0.380 -2.632 -14.068 1.00 0.00 C ATOM 0 H MET A 81 0.501 -2.689 -9.261 1.00 0.00 H new ATOM 0 HA MET A 81 0.106 -5.512 -8.799 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.224 -5.383 -10.904 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.694 -4.119 -9.784 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.288 -2.603 -11.432 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.419 -2.970 -11.279 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.197 -2.832 -14.971 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.362 -2.248 -14.342 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.142 -1.893 -13.461 1.00 0.00 H new ATOM 1244 N VAL A 82 2.265 -4.496 -11.081 1.00 0.00 N ATOM 1245 CA VAL A 82 3.347 -4.970 -11.961 1.00 0.00 C ATOM 1246 C VAL A 82 4.572 -5.420 -11.157 1.00 0.00 C ATOM 1247 O VAL A 82 5.274 -6.347 -11.564 1.00 0.00 O ATOM 1248 CB VAL A 82 3.779 -3.895 -12.976 1.00 0.00 C ATOM 1249 CG1 VAL A 82 2.743 -3.797 -14.097 1.00 0.00 C ATOM 1250 CG2 VAL A 82 3.917 -2.531 -12.292 1.00 0.00 C ATOM 0 H VAL A 82 2.188 -3.482 -11.007 1.00 0.00 H new ATOM 0 HA VAL A 82 2.942 -5.823 -12.505 1.00 0.00 H new ATOM 0 HB VAL A 82 4.746 -4.181 -13.391 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.052 -3.035 -14.813 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.662 -4.759 -14.603 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.775 -3.527 -13.675 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.223 -1.785 -13.026 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.959 -2.243 -11.859 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.667 -2.593 -11.504 1.00 0.00 H new ATOM 1260 N ARG A 83 4.820 -4.771 -10.013 1.00 0.00 N ATOM 1261 CA ARG A 83 5.968 -5.138 -9.169 1.00 0.00 C ATOM 1262 C ARG A 83 5.821 -6.564 -8.612 1.00 0.00 C ATOM 1263 O ARG A 83 6.793 -7.155 -8.139 1.00 0.00 O ATOM 1264 CB ARG A 83 6.132 -4.155 -8.000 1.00 0.00 C ATOM 1265 CG ARG A 83 4.836 -4.074 -7.188 1.00 0.00 C ATOM 1266 CD ARG A 83 5.145 -4.242 -5.699 1.00 0.00 C ATOM 1267 NE ARG A 83 3.942 -4.647 -4.967 1.00 0.00 N ATOM 1268 CZ ARG A 83 3.539 -5.925 -4.921 1.00 0.00 C ATOM 1269 NH1 ARG A 83 4.227 -6.869 -5.517 1.00 0.00 N ATOM 1270 NH2 ARG A 83 2.447 -6.235 -4.269 1.00 0.00 N ATOM 0 H ARG A 83 4.254 -4.002 -9.653 1.00 0.00 H new ATOM 0 HA ARG A 83 6.854 -5.094 -9.802 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.952 -4.477 -7.358 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.393 -3.167 -8.380 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.347 -3.115 -7.361 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.143 -4.849 -7.514 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.927 -4.989 -5.566 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.527 -3.305 -5.293 1.00 0.00 H new ATOM 0 HE ARG A 83 3.396 -3.937 -4.479 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.081 -6.635 -6.024 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.908 -7.837 -5.474 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.909 -5.506 -3.800 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.134 -7.205 -4.230 1.00 0.00 H new ATOM 1284 N CYS A 84 4.599 -7.115 -8.685 1.00 0.00 N ATOM 1285 CA CYS A 84 4.342 -8.474 -8.198 1.00 0.00 C ATOM 1286 C CYS A 84 4.905 -9.526 -9.163 1.00 0.00 C ATOM 1287 O CYS A 84 5.019 -10.700 -8.808 1.00 0.00 O ATOM 1288 CB CYS A 84 2.837 -8.708 -8.038 1.00 0.00 C ATOM 1289 SG CYS A 84 2.548 -9.896 -6.702 1.00 0.00 S ATOM 0 H CYS A 84 3.782 -6.643 -9.073 1.00 0.00 H new ATOM 0 HA CYS A 84 4.839 -8.574 -7.233 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.333 -7.767 -7.817 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.416 -9.084 -8.970 1.00 0.00 H new ATOM 0 HG CYS A 84 1.270 -10.093 -6.565 1.00 0.00 H new