USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=24 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 58 ASN : amide:sc= 2.01 K(o=3,f=-9!) USER MOD Set 1.2: A 68 LYS NZ :NH3+ 154:sc= 0.961! (180deg=-3.64!) USER MOD Set 2.1: A 32 GLN : amide:sc= 2.22 K(o=3.5,f=-1.1) USER MOD Set 2.2: A 53 TYR OH : rot 14:sc= 1.23 USER MOD Set 3.1: A 45 HIS : no HD1:sc= -2.6 X(o=-2.6,f=-2.9) USER MOD Set 3.2: A 47 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 10 TYR OH : rot 149:sc= 1.26 USER MOD Set 4.2: A 38 HIS : no HE2:sc= 1.07 K(o=2.3,f=-4.5) USER MOD Set 5.1: A 24 ASN : amide:sc= -4.04! C(o=-3.9!,f=-13!) USER MOD Set 5.2: A 31 LYS NZ :NH3+ 165:sc= 0.139 (180deg=-0.835) USER MOD Single : A 4 LYS NZ :NH3+ -168:sc= 1.04! (180deg=0.693!) USER MOD Single : A 5 ASN : amide:sc= -0.328 X(o=-0.33,f=0) USER MOD Single : A 6 SER OG : rot 103:sc= 1.26 USER MOD Single : A 8 SER OG : rot -50:sc= 1.29 USER MOD Single : A 11 THR OG1 : rot -85:sc= 0.807 USER MOD Single : A 13 THR OG1 : rot -53:sc= 0.528 USER MOD Single : A 16 LYS NZ :NH3+ -167:sc= 0.938 (180deg=0.121) USER MOD Single : A 17 LYS NZ :NH3+ 175:sc= 1.78 (180deg=1.04!) USER MOD Single : A 25 CYS SG : rot -73:sc= -0.0906 USER MOD Single : A 30 LYS NZ :NH3+ 167:sc= 0.274 (180deg=-0.173!) USER MOD Single : A 35 ASN :FLIP amide:sc= -6.1! C(o=-7!,f=-6.1!) USER MOD Single : A 41 SER OG : rot 129:sc= 1.28 USER MOD Single : A 43 THR OG1 : rot 160:sc= 1.22 USER MOD Single : A 49 SER OG : rot 180:sc= -0.642 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.23 K(o=-0.23,f=-4.5!) USER MOD Single : A 62 SER OG : rot 49:sc= 0.844 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.815 K(o=0.82,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -125:sc= 1.51 (180deg=0.427) USER MOD Single : A 80 SER OG : rot 23:sc= 0.913 USER MOD Single : A 83 LYS NZ :NH3+ 139:sc= -0.124! (180deg=-0.829!) USER MOD ----------------------------------------------------------------- ATOM 33 N LEU A 3 12.060 4.287 -2.600 1.00 0.00 N ATOM 34 CA LEU A 3 10.958 4.550 -1.712 1.00 0.00 C ATOM 35 C LEU A 3 10.591 6.046 -1.703 1.00 0.00 C ATOM 36 O LEU A 3 11.192 6.864 -2.400 1.00 0.00 O ATOM 37 CB LEU A 3 11.212 3.975 -0.301 1.00 0.00 C ATOM 38 CG LEU A 3 11.360 2.437 -0.232 1.00 0.00 C ATOM 39 CD1 LEU A 3 11.605 2.018 1.220 1.00 0.00 C ATOM 40 CD2 LEU A 3 10.133 1.677 -0.757 1.00 0.00 C ATOM 0 HA LEU A 3 10.083 4.024 -2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.118 4.429 0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.390 4.274 0.349 1.00 0.00 H new ATOM 0 HG LEU A 3 12.201 2.178 -0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.710 0.934 1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 3 12.517 2.489 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.762 2.332 1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.308 0.604 -0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.258 1.946 -0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.961 1.941 -1.801 1.00 0.00 H new ATOM 52 N LYS A 4 9.575 6.409 -0.924 1.00 0.00 N ATOM 53 CA LYS A 4 8.886 7.673 -0.880 1.00 0.00 C ATOM 54 C LYS A 4 8.851 8.189 0.549 1.00 0.00 C ATOM 55 O LYS A 4 9.239 7.481 1.480 1.00 0.00 O ATOM 56 CB LYS A 4 7.487 7.488 -1.461 1.00 0.00 C ATOM 57 CG LYS A 4 7.410 6.881 -2.877 1.00 0.00 C ATOM 58 CD LYS A 4 8.146 7.570 -4.034 1.00 0.00 C ATOM 59 CE LYS A 4 7.840 6.746 -5.294 1.00 0.00 C ATOM 60 NZ LYS A 4 7.802 7.541 -6.541 1.00 0.00 N ATOM 0 H LYS A 4 9.185 5.754 -0.247 1.00 0.00 H new ATOM 0 HA LYS A 4 9.408 8.419 -1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.917 6.851 -0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.992 8.459 -1.478 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.783 5.859 -2.815 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.356 6.820 -3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.808 8.599 -4.151 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.219 7.607 -3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.594 5.965 -5.396 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.880 6.247 -5.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.395 6.967 -7.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.216 8.388 -6.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.768 7.828 -6.799 1.00 0.00 H new ATOM 74 N ASN A 5 8.381 9.416 0.738 1.00 0.00 N ATOM 75 CA ASN A 5 7.984 9.930 2.044 1.00 0.00 C ATOM 76 C ASN A 5 6.477 10.166 2.078 1.00 0.00 C ATOM 77 O ASN A 5 5.932 10.307 3.168 1.00 0.00 O ATOM 78 CB ASN A 5 8.768 11.206 2.400 1.00 0.00 C ATOM 79 CG ASN A 5 10.227 10.982 2.803 1.00 0.00 C ATOM 80 OD1 ASN A 5 10.941 11.934 3.095 1.00 0.00 O ATOM 81 ND2 ASN A 5 10.729 9.755 2.838 1.00 0.00 N ATOM 0 H ASN A 5 8.263 10.090 -0.019 1.00 0.00 H new ATOM 0 HA ASN A 5 8.227 9.185 2.802 1.00 0.00 H new ATOM 0 HB2 ASN A 5 8.744 11.879 1.543 1.00 0.00 H new ATOM 0 HB3 ASN A 5 8.255 11.712 3.218 1.00 0.00 H new ATOM 0 HD21 ASN A 5 11.702 9.610 3.106 1.00 0.00 H new ATOM 0 HD22 ASN A 5 10.142 8.957 2.597 1.00 0.00 H new ATOM 88 N SER A 6 5.788 10.127 0.932 1.00 0.00 N ATOM 89 CA SER A 6 4.351 10.358 0.880 1.00 0.00 C ATOM 90 C SER A 6 3.675 9.474 -0.156 1.00 0.00 C ATOM 91 O SER A 6 4.241 9.191 -1.215 1.00 0.00 O ATOM 92 CB SER A 6 4.050 11.836 0.572 1.00 0.00 C ATOM 93 OG SER A 6 5.149 12.725 0.667 1.00 0.00 O ATOM 0 H SER A 6 6.212 9.936 0.024 1.00 0.00 H new ATOM 0 HA SER A 6 3.949 10.103 1.861 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.641 11.901 -0.436 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.271 12.178 1.254 1.00 0.00 H new ATOM 0 HG SER A 6 5.474 12.940 -0.232 1.00 0.00 H new ATOM 99 N ILE A 7 2.410 9.118 0.088 1.00 0.00 N ATOM 100 CA ILE A 7 1.561 8.478 -0.896 1.00 0.00 C ATOM 101 C ILE A 7 1.459 9.265 -2.207 1.00 0.00 C ATOM 102 O ILE A 7 1.282 8.643 -3.241 1.00 0.00 O ATOM 103 CB ILE A 7 0.200 8.181 -0.229 1.00 0.00 C ATOM 104 CG1 ILE A 7 0.125 6.713 0.204 1.00 0.00 C ATOM 105 CG2 ILE A 7 -1.050 8.550 -1.029 1.00 0.00 C ATOM 106 CD1 ILE A 7 0.077 5.654 -0.892 1.00 0.00 C ATOM 0 H ILE A 7 1.951 9.272 0.986 1.00 0.00 H new ATOM 0 HA ILE A 7 2.008 7.535 -1.212 1.00 0.00 H new ATOM 0 HB ILE A 7 0.181 8.851 0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.989 6.504 0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.761 6.592 0.827 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.939 8.293 -0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.048 9.621 -1.234 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.055 8.000 -1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.026 4.664 -0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.803 5.814 -1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.974 5.726 -1.507 1.00 0.00 H new ATOM 118 N SER A 8 1.564 10.591 -2.236 1.00 0.00 N ATOM 119 CA SER A 8 1.470 11.376 -3.439 1.00 0.00 C ATOM 120 C SER A 8 2.799 11.494 -4.185 1.00 0.00 C ATOM 121 O SER A 8 2.781 11.882 -5.352 1.00 0.00 O ATOM 122 CB SER A 8 0.987 12.716 -2.905 1.00 0.00 C ATOM 123 OG SER A 8 -0.268 12.583 -2.250 1.00 0.00 O ATOM 0 H SER A 8 1.720 11.152 -1.398 1.00 0.00 H new ATOM 0 HA SER A 8 0.810 10.935 -4.186 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.723 13.121 -2.210 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.899 13.428 -3.726 1.00 0.00 H new ATOM 0 HG SER A 8 -0.891 12.099 -2.832 1.00 0.00 H new ATOM 129 N ASP A 9 3.932 11.128 -3.578 1.00 0.00 N ATOM 130 CA ASP A 9 5.156 10.864 -4.272 1.00 0.00 C ATOM 131 C ASP A 9 5.028 9.521 -4.996 1.00 0.00 C ATOM 132 O ASP A 9 5.691 9.293 -6.013 1.00 0.00 O ATOM 133 CB ASP A 9 6.283 10.660 -3.262 1.00 0.00 C ATOM 134 CG ASP A 9 6.486 11.562 -2.054 1.00 0.00 C ATOM 135 OD1 ASP A 9 5.793 12.587 -1.896 1.00 0.00 O ATOM 136 OD2 ASP A 9 7.313 11.143 -1.214 1.00 0.00 O ATOM 0 H ASP A 9 4.005 11.010 -2.568 1.00 0.00 H new ATOM 0 HA ASP A 9 5.358 11.694 -4.949 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.173 9.646 -2.876 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.214 10.687 -3.828 1.00 0.00 H new ATOM 141 N TYR A 10 4.255 8.584 -4.424 1.00 0.00 N ATOM 142 CA TYR A 10 3.938 7.324 -5.041 1.00 0.00 C ATOM 143 C TYR A 10 3.038 7.584 -6.251 1.00 0.00 C ATOM 144 O TYR A 10 2.358 8.601 -6.426 1.00 0.00 O ATOM 145 CB TYR A 10 3.277 6.347 -4.031 1.00 0.00 C ATOM 146 CG TYR A 10 4.201 5.434 -3.263 1.00 0.00 C ATOM 147 CD1 TYR A 10 4.810 4.390 -3.967 1.00 0.00 C ATOM 148 CD2 TYR A 10 4.444 5.581 -1.879 1.00 0.00 C ATOM 149 CE1 TYR A 10 5.728 3.536 -3.347 1.00 0.00 C ATOM 150 CE2 TYR A 10 5.364 4.717 -1.255 1.00 0.00 C ATOM 151 CZ TYR A 10 6.034 3.717 -1.990 1.00 0.00 C ATOM 152 OH TYR A 10 6.991 2.940 -1.430 1.00 0.00 O ATOM 0 H TYR A 10 3.834 8.701 -3.502 1.00 0.00 H new ATOM 0 HA TYR A 10 4.856 6.841 -5.375 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.707 6.936 -3.312 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.563 5.728 -4.574 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.567 4.241 -5.009 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.933 6.343 -1.309 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.198 2.743 -3.909 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.560 4.822 -0.198 1.00 0.00 H new ATOM 0 HH TYR A 10 7.444 3.440 -0.719 1.00 0.00 H new ATOM 162 N THR A 11 2.997 6.566 -7.079 1.00 0.00 N ATOM 163 CA THR A 11 2.010 6.261 -8.048 1.00 0.00 C ATOM 164 C THR A 11 1.377 4.972 -7.509 1.00 0.00 C ATOM 165 O THR A 11 2.015 4.229 -6.753 1.00 0.00 O ATOM 166 CB THR A 11 2.733 6.074 -9.383 1.00 0.00 C ATOM 167 OG1 THR A 11 3.711 5.075 -9.303 1.00 0.00 O ATOM 168 CG2 THR A 11 3.473 7.317 -9.892 1.00 0.00 C ATOM 0 H THR A 11 3.740 5.867 -7.077 1.00 0.00 H new ATOM 0 HA THR A 11 1.243 7.018 -8.213 1.00 0.00 H new ATOM 0 HB THR A 11 1.922 5.823 -10.067 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.544 5.459 -8.958 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.955 7.090 -10.843 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.763 8.132 -10.031 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.228 7.614 -9.164 1.00 0.00 H new ATOM 176 N GLU A 12 0.155 4.678 -7.930 1.00 0.00 N ATOM 177 CA GLU A 12 -0.533 3.424 -7.614 1.00 0.00 C ATOM 178 C GLU A 12 0.345 2.240 -8.008 1.00 0.00 C ATOM 179 O GLU A 12 0.337 1.219 -7.328 1.00 0.00 O ATOM 180 CB GLU A 12 -1.919 3.246 -8.292 1.00 0.00 C ATOM 181 CG GLU A 12 -2.492 4.354 -9.185 1.00 0.00 C ATOM 182 CD GLU A 12 -1.521 4.769 -10.283 1.00 0.00 C ATOM 183 OE1 GLU A 12 -1.228 4.015 -11.236 1.00 0.00 O ATOM 184 OE2 GLU A 12 -0.921 5.856 -10.154 1.00 0.00 O ATOM 0 H GLU A 12 -0.398 5.310 -8.509 1.00 0.00 H new ATOM 0 HA GLU A 12 -0.713 3.465 -6.540 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.869 2.339 -8.895 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.645 3.063 -7.500 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.422 4.009 -9.636 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.737 5.222 -8.572 1.00 0.00 H new ATOM 191 N THR A 13 1.090 2.347 -9.110 1.00 0.00 N ATOM 192 CA THR A 13 1.756 1.219 -9.694 1.00 0.00 C ATOM 193 C THR A 13 3.140 0.992 -9.069 1.00 0.00 C ATOM 194 O THR A 13 3.556 -0.154 -8.923 1.00 0.00 O ATOM 195 CB THR A 13 1.780 1.416 -11.217 1.00 0.00 C ATOM 196 OG1 THR A 13 1.137 2.604 -11.701 1.00 0.00 O ATOM 197 CG2 THR A 13 1.161 0.162 -11.849 1.00 0.00 C ATOM 0 H THR A 13 1.238 3.224 -9.610 1.00 0.00 H new ATOM 0 HA THR A 13 1.213 0.298 -9.481 1.00 0.00 H new ATOM 0 HB THR A 13 2.821 1.557 -11.508 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.224 2.649 -11.348 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.160 0.264 -12.934 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.746 -0.714 -11.567 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.137 0.044 -11.495 1.00 0.00 H new ATOM 205 N GLU A 14 3.839 2.036 -8.612 1.00 0.00 N ATOM 206 CA GLU A 14 4.955 1.848 -7.700 1.00 0.00 C ATOM 207 C GLU A 14 4.471 1.263 -6.382 1.00 0.00 C ATOM 208 O GLU A 14 5.126 0.368 -5.849 1.00 0.00 O ATOM 209 CB GLU A 14 5.623 3.186 -7.438 1.00 0.00 C ATOM 210 CG GLU A 14 6.356 3.671 -8.680 1.00 0.00 C ATOM 211 CD GLU A 14 6.944 5.037 -8.368 1.00 0.00 C ATOM 212 OE1 GLU A 14 6.169 6.017 -8.324 1.00 0.00 O ATOM 213 OE2 GLU A 14 8.142 5.110 -8.022 1.00 0.00 O ATOM 0 H GLU A 14 3.649 3.007 -8.859 1.00 0.00 H new ATOM 0 HA GLU A 14 5.667 1.158 -8.154 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.874 3.920 -7.141 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.324 3.092 -6.609 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.144 2.970 -8.957 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.673 3.734 -9.527 1.00 0.00 H new ATOM 220 N PHE A 15 3.334 1.744 -5.865 1.00 0.00 N ATOM 221 CA PHE A 15 2.754 1.152 -4.678 1.00 0.00 C ATOM 222 C PHE A 15 2.397 -0.314 -4.904 1.00 0.00 C ATOM 223 O PHE A 15 2.618 -1.126 -4.023 1.00 0.00 O ATOM 224 CB PHE A 15 1.552 1.973 -4.209 1.00 0.00 C ATOM 225 CG PHE A 15 1.343 1.891 -2.717 1.00 0.00 C ATOM 226 CD1 PHE A 15 2.393 2.279 -1.866 1.00 0.00 C ATOM 227 CD2 PHE A 15 0.117 1.467 -2.172 1.00 0.00 C ATOM 228 CE1 PHE A 15 2.203 2.308 -0.484 1.00 0.00 C ATOM 229 CE2 PHE A 15 -0.087 1.555 -0.784 1.00 0.00 C ATOM 230 CZ PHE A 15 0.942 2.028 0.049 1.00 0.00 C ATOM 0 H PHE A 15 2.812 2.531 -6.251 1.00 0.00 H new ATOM 0 HA PHE A 15 3.499 1.170 -3.882 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.694 3.015 -4.496 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.655 1.621 -4.718 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.350 2.556 -2.284 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.660 1.078 -2.814 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.028 2.546 0.171 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.034 1.259 -0.358 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.758 2.175 1.103 1.00 0.00 H new ATOM 240 N LYS A 16 1.942 -0.711 -6.091 1.00 0.00 N ATOM 241 CA LYS A 16 1.865 -2.110 -6.464 1.00 0.00 C ATOM 242 C LYS A 16 3.195 -2.767 -6.233 1.00 0.00 C ATOM 243 O LYS A 16 3.175 -3.717 -5.489 1.00 0.00 O ATOM 244 CB LYS A 16 1.467 -2.256 -7.929 1.00 0.00 C ATOM 245 CG LYS A 16 0.619 -3.508 -8.070 1.00 0.00 C ATOM 246 CD LYS A 16 -0.737 -3.243 -7.417 1.00 0.00 C ATOM 247 CE LYS A 16 -0.936 -3.689 -5.976 1.00 0.00 C ATOM 248 NZ LYS A 16 -2.354 -4.012 -5.736 1.00 0.00 N ATOM 0 H LYS A 16 1.619 -0.069 -6.815 1.00 0.00 H new ATOM 0 HA LYS A 16 1.106 -2.593 -5.849 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.909 -1.380 -8.260 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.354 -2.325 -8.558 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.491 -3.764 -9.122 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.111 -4.356 -7.594 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.926 -2.171 -7.464 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.501 -3.728 -8.025 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.316 -4.561 -5.768 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.615 -2.900 -5.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.522 -4.100 -4.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.953 -3.254 -6.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.590 -4.910 -6.204 1.00 0.00 H new ATOM 262 N LYS A 17 4.318 -2.310 -6.788 1.00 0.00 N ATOM 263 CA LYS A 17 5.563 -3.040 -6.670 1.00 0.00 C ATOM 264 C LYS A 17 5.895 -3.346 -5.204 1.00 0.00 C ATOM 265 O LYS A 17 6.375 -4.442 -4.959 1.00 0.00 O ATOM 266 CB LYS A 17 6.648 -2.266 -7.434 1.00 0.00 C ATOM 267 CG LYS A 17 7.527 -3.153 -8.334 1.00 0.00 C ATOM 268 CD LYS A 17 8.879 -3.559 -7.739 1.00 0.00 C ATOM 269 CE LYS A 17 8.873 -4.630 -6.641 1.00 0.00 C ATOM 270 NZ LYS A 17 8.293 -5.931 -7.042 1.00 0.00 N ATOM 0 H LYS A 17 4.383 -1.442 -7.319 1.00 0.00 H new ATOM 0 HA LYS A 17 5.486 -4.025 -7.129 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.172 -1.501 -8.048 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.285 -1.748 -6.717 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.970 -4.058 -8.578 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.705 -2.626 -9.271 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.512 -3.914 -8.552 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.351 -2.664 -7.334 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.898 -4.793 -6.307 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.316 -4.249 -5.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.408 -6.616 -6.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.281 -5.811 -7.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.782 -6.282 -7.890 1.00 0.00 H new ATOM 284 N ILE A 18 5.588 -2.460 -4.247 1.00 0.00 N ATOM 285 CA ILE A 18 5.667 -2.784 -2.814 1.00 0.00 C ATOM 286 C ILE A 18 4.630 -3.851 -2.443 1.00 0.00 C ATOM 287 O ILE A 18 4.975 -4.953 -2.042 1.00 0.00 O ATOM 288 CB ILE A 18 5.644 -1.486 -1.964 1.00 0.00 C ATOM 289 CG1 ILE A 18 6.857 -1.596 -1.011 1.00 0.00 C ATOM 290 CG2 ILE A 18 4.366 -0.991 -1.252 1.00 0.00 C ATOM 291 CD1 ILE A 18 6.879 -0.562 0.098 1.00 0.00 C ATOM 0 H ILE A 18 5.281 -1.507 -4.440 1.00 0.00 H new ATOM 0 HA ILE A 18 6.624 -3.248 -2.577 1.00 0.00 H new ATOM 0 HB ILE A 18 5.683 -0.677 -2.694 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.863 -2.590 -0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.772 -1.503 -1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.582 -0.066 -0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.585 -0.809 -1.991 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.027 -1.748 -0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.763 -0.712 0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.907 0.437 -0.337 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.984 -0.667 0.711 1.00 0.00 H new ATOM 303 N ILE A 19 3.351 -3.560 -2.638 1.00 0.00 N ATOM 304 CA ILE A 19 2.218 -4.368 -2.186 1.00 0.00 C ATOM 305 C ILE A 19 2.256 -5.789 -2.824 1.00 0.00 C ATOM 306 O ILE A 19 1.803 -6.770 -2.239 1.00 0.00 O ATOM 307 CB ILE A 19 0.974 -3.507 -2.553 1.00 0.00 C ATOM 308 CG1 ILE A 19 0.869 -2.200 -1.733 1.00 0.00 C ATOM 309 CG2 ILE A 19 -0.391 -4.176 -2.500 1.00 0.00 C ATOM 310 CD1 ILE A 19 0.547 -2.355 -0.253 1.00 0.00 C ATOM 0 H ILE A 19 3.058 -2.719 -3.136 1.00 0.00 H new ATOM 0 HA ILE A 19 2.218 -4.584 -1.118 1.00 0.00 H new ATOM 0 HB ILE A 19 1.192 -3.313 -3.603 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.813 -1.663 -1.823 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.101 -1.573 -2.186 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.160 -3.456 -2.780 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.411 -5.017 -3.193 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.581 -4.535 -1.489 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.500 -1.371 0.214 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.414 -2.857 -0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.324 -2.948 0.228 1.00 0.00 H new ATOM 322 N GLU A 20 2.817 -5.928 -4.022 1.00 0.00 N ATOM 323 CA GLU A 20 3.199 -7.100 -4.757 1.00 0.00 C ATOM 324 C GLU A 20 4.305 -7.826 -4.019 1.00 0.00 C ATOM 325 O GLU A 20 4.179 -9.017 -3.791 1.00 0.00 O ATOM 326 CB GLU A 20 3.727 -6.537 -6.075 1.00 0.00 C ATOM 327 CG GLU A 20 3.963 -7.488 -7.213 1.00 0.00 C ATOM 328 CD GLU A 20 4.701 -6.744 -8.338 1.00 0.00 C ATOM 329 OE1 GLU A 20 5.915 -6.477 -8.160 1.00 0.00 O ATOM 330 OE2 GLU A 20 4.047 -6.377 -9.336 1.00 0.00 O ATOM 0 H GLU A 20 3.039 -5.093 -4.563 1.00 0.00 H new ATOM 0 HA GLU A 20 2.384 -7.811 -4.894 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.024 -5.777 -6.417 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.668 -6.029 -5.866 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.552 -8.341 -6.876 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.014 -7.880 -7.579 1.00 0.00 H new ATOM 337 N ASP A 21 5.388 -7.119 -3.692 1.00 0.00 N ATOM 338 CA ASP A 21 6.569 -7.586 -2.964 1.00 0.00 C ATOM 339 C ASP A 21 6.242 -8.153 -1.602 1.00 0.00 C ATOM 340 O ASP A 21 6.947 -9.062 -1.164 1.00 0.00 O ATOM 341 CB ASP A 21 7.638 -6.473 -2.887 1.00 0.00 C ATOM 342 CG ASP A 21 8.685 -6.590 -3.995 1.00 0.00 C ATOM 343 OD1 ASP A 21 8.602 -7.534 -4.821 1.00 0.00 O ATOM 344 OD2 ASP A 21 9.611 -5.761 -4.045 1.00 0.00 O ATOM 0 H ASP A 21 5.468 -6.135 -3.947 1.00 0.00 H new ATOM 0 HA ASP A 21 6.984 -8.418 -3.533 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.151 -5.500 -2.953 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.134 -6.516 -1.917 1.00 0.00 H new ATOM 349 N ILE A 22 5.158 -7.684 -0.995 1.00 0.00 N ATOM 350 CA ILE A 22 4.513 -8.281 0.156 1.00 0.00 C ATOM 351 C ILE A 22 3.963 -9.658 -0.214 1.00 0.00 C ATOM 352 O ILE A 22 4.381 -10.650 0.370 1.00 0.00 O ATOM 353 CB ILE A 22 3.480 -7.262 0.705 1.00 0.00 C ATOM 354 CG1 ILE A 22 3.954 -6.771 2.076 1.00 0.00 C ATOM 355 CG2 ILE A 22 2.016 -7.687 0.830 1.00 0.00 C ATOM 356 CD1 ILE A 22 3.033 -5.686 2.637 1.00 0.00 C ATOM 0 H ILE A 22 4.687 -6.837 -1.311 1.00 0.00 H new ATOM 0 HA ILE A 22 5.207 -8.482 0.972 1.00 0.00 H new ATOM 0 HB ILE A 22 3.457 -6.497 -0.071 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.992 -7.611 2.770 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.968 -6.380 1.992 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.430 -6.859 1.229 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.632 -7.964 -0.152 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.941 -8.542 1.502 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.402 -5.363 3.610 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.015 -4.836 1.955 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.025 -6.085 2.745 1.00 0.00 H new ATOM 368 N ILE A 23 3.036 -9.733 -1.172 1.00 0.00 N ATOM 369 CA ILE A 23 2.317 -10.975 -1.472 1.00 0.00 C ATOM 370 C ILE A 23 3.252 -12.020 -2.105 1.00 0.00 C ATOM 371 O ILE A 23 3.257 -13.174 -1.683 1.00 0.00 O ATOM 372 CB ILE A 23 1.041 -10.645 -2.287 1.00 0.00 C ATOM 373 CG1 ILE A 23 -0.066 -10.162 -1.318 1.00 0.00 C ATOM 374 CG2 ILE A 23 0.487 -11.845 -3.073 1.00 0.00 C ATOM 375 CD1 ILE A 23 -1.115 -9.267 -1.981 1.00 0.00 C ATOM 0 H ILE A 23 2.764 -8.943 -1.757 1.00 0.00 H new ATOM 0 HA ILE A 23 1.973 -11.452 -0.554 1.00 0.00 H new ATOM 0 HB ILE A 23 1.324 -9.878 -3.008 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.563 -11.031 -0.886 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.396 -9.617 -0.495 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.406 -11.541 -3.620 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.241 -12.198 -3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.233 -12.647 -2.381 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.858 -8.968 -1.241 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.631 -8.380 -2.389 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.605 -9.815 -2.786 1.00 0.00 H new ATOM 387 N ASN A 24 4.042 -11.657 -3.120 1.00 0.00 N ATOM 388 CA ASN A 24 5.066 -12.436 -3.744 1.00 0.00 C ATOM 389 C ASN A 24 6.224 -12.767 -2.804 1.00 0.00 C ATOM 390 O ASN A 24 6.944 -13.721 -3.084 1.00 0.00 O ATOM 391 CB ASN A 24 5.465 -11.615 -4.976 1.00 0.00 C ATOM 392 CG ASN A 24 6.596 -10.596 -4.860 1.00 0.00 C ATOM 393 OD1 ASN A 24 7.608 -10.775 -4.188 1.00 0.00 O ATOM 394 ND2 ASN A 24 6.436 -9.487 -5.559 1.00 0.00 N ATOM 0 H ASN A 24 3.959 -10.734 -3.546 1.00 0.00 H new ATOM 0 HA ASN A 24 4.719 -13.429 -4.029 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.736 -12.317 -5.764 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.577 -11.082 -5.316 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.158 -8.767 -5.545 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.591 -9.351 -6.113 1.00 0.00 H new ATOM 401 N CYS A 25 6.361 -12.008 -1.709 1.00 0.00 N ATOM 402 CA CYS A 25 7.199 -12.234 -0.529 1.00 0.00 C ATOM 403 C CYS A 25 8.669 -12.573 -0.785 1.00 0.00 C ATOM 404 O CYS A 25 9.368 -13.002 0.130 1.00 0.00 O ATOM 405 CB CYS A 25 6.508 -13.146 0.513 1.00 0.00 C ATOM 406 SG CYS A 25 5.781 -14.665 -0.180 1.00 0.00 S ATOM 0 H CYS A 25 5.837 -11.138 -1.621 1.00 0.00 H new ATOM 0 HA CYS A 25 7.286 -11.246 -0.078 1.00 0.00 H new ATOM 0 HB2 CYS A 25 7.236 -13.422 1.276 1.00 0.00 H new ATOM 0 HB3 CYS A 25 5.723 -12.577 1.012 1.00 0.00 H new ATOM 0 HG CYS A 25 4.701 -14.367 -0.840 1.00 0.00 H new ATOM 411 N GLU A 26 9.173 -12.323 -1.992 1.00 0.00 N ATOM 412 CA GLU A 26 10.472 -12.766 -2.441 1.00 0.00 C ATOM 413 C GLU A 26 11.567 -12.052 -1.633 1.00 0.00 C ATOM 414 O GLU A 26 11.886 -10.899 -1.928 1.00 0.00 O ATOM 415 CB GLU A 26 10.561 -12.531 -3.962 1.00 0.00 C ATOM 416 CG GLU A 26 11.750 -13.316 -4.505 1.00 0.00 C ATOM 417 CD GLU A 26 11.987 -13.138 -6.013 1.00 0.00 C ATOM 418 OE1 GLU A 26 12.266 -11.992 -6.433 1.00 0.00 O ATOM 419 OE2 GLU A 26 11.944 -14.163 -6.734 1.00 0.00 O ATOM 0 H GLU A 26 8.666 -11.790 -2.698 1.00 0.00 H new ATOM 0 HA GLU A 26 10.621 -13.832 -2.268 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.641 -12.853 -4.449 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.680 -11.469 -4.175 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.648 -13.010 -3.969 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.598 -14.375 -4.295 1.00 0.00 H new ATOM 426 N GLY A 27 12.083 -12.673 -0.568 1.00 0.00 N ATOM 427 CA GLY A 27 12.935 -12.007 0.402 1.00 0.00 C ATOM 428 C GLY A 27 13.010 -12.776 1.721 1.00 0.00 C ATOM 429 O GLY A 27 12.843 -13.990 1.751 1.00 0.00 O ATOM 0 H GLY A 27 11.916 -13.658 -0.360 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.938 -11.897 -0.011 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.555 -11.003 0.589 1.00 0.00 H new ATOM 433 N ASP A 28 13.330 -12.051 2.797 1.00 0.00 N ATOM 434 CA ASP A 28 13.852 -12.569 4.075 1.00 0.00 C ATOM 435 C ASP A 28 12.814 -12.512 5.210 1.00 0.00 C ATOM 436 O ASP A 28 13.145 -12.484 6.389 1.00 0.00 O ATOM 437 CB ASP A 28 15.121 -11.751 4.386 1.00 0.00 C ATOM 438 CG ASP A 28 15.940 -12.236 5.589 1.00 0.00 C ATOM 439 OD1 ASP A 28 16.375 -13.410 5.553 1.00 0.00 O ATOM 440 OD2 ASP A 28 16.235 -11.382 6.458 1.00 0.00 O ATOM 0 H ASP A 28 13.229 -11.036 2.806 1.00 0.00 H new ATOM 0 HA ASP A 28 14.089 -13.630 3.991 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.762 -11.759 3.505 1.00 0.00 H new ATOM 0 HB3 ASP A 28 14.831 -10.715 4.560 1.00 0.00 H new ATOM 445 N GLU A 29 11.540 -12.360 4.840 1.00 0.00 N ATOM 446 CA GLU A 29 10.337 -12.005 5.626 1.00 0.00 C ATOM 447 C GLU A 29 10.438 -10.591 6.162 1.00 0.00 C ATOM 448 O GLU A 29 9.458 -9.845 6.176 1.00 0.00 O ATOM 449 CB GLU A 29 10.025 -13.034 6.733 1.00 0.00 C ATOM 450 CG GLU A 29 9.566 -14.401 6.202 1.00 0.00 C ATOM 451 CD GLU A 29 8.107 -14.375 5.731 1.00 0.00 C ATOM 452 OE1 GLU A 29 7.795 -13.571 4.823 1.00 0.00 O ATOM 453 OE2 GLU A 29 7.289 -15.122 6.310 1.00 0.00 O ATOM 0 H GLU A 29 11.288 -12.499 3.861 1.00 0.00 H new ATOM 0 HA GLU A 29 9.485 -12.038 4.947 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.915 -13.174 7.346 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.250 -12.629 7.384 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.208 -14.703 5.375 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.681 -15.151 6.985 1.00 0.00 H new ATOM 460 N LYS A 30 11.657 -10.126 6.403 1.00 0.00 N ATOM 461 CA LYS A 30 11.927 -8.723 6.558 1.00 0.00 C ATOM 462 C LYS A 30 11.486 -7.892 5.381 1.00 0.00 C ATOM 463 O LYS A 30 11.186 -6.729 5.552 1.00 0.00 O ATOM 464 CB LYS A 30 13.411 -8.565 6.840 1.00 0.00 C ATOM 465 CG LYS A 30 13.620 -8.868 8.326 1.00 0.00 C ATOM 466 CD LYS A 30 13.727 -7.587 9.186 1.00 0.00 C ATOM 467 CE LYS A 30 12.499 -6.689 8.929 1.00 0.00 C ATOM 468 NZ LYS A 30 12.283 -5.589 9.889 1.00 0.00 N ATOM 0 H LYS A 30 12.480 -10.721 6.495 1.00 0.00 H new ATOM 0 HA LYS A 30 11.338 -8.342 7.392 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.996 -9.246 6.222 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.743 -7.554 6.602 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.791 -9.476 8.689 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.527 -9.460 8.448 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.784 -7.849 10.242 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.642 -7.048 8.942 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.591 -6.260 7.931 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.609 -7.319 8.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.577 -4.928 9.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.940 -5.978 10.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.179 -5.085 10.047 1.00 0.00 H new ATOM 482 N LYS A 31 11.421 -8.482 4.204 1.00 0.00 N ATOM 483 CA LYS A 31 10.888 -7.902 3.013 1.00 0.00 C ATOM 484 C LYS A 31 9.399 -7.582 3.114 1.00 0.00 C ATOM 485 O LYS A 31 9.010 -6.515 2.648 1.00 0.00 O ATOM 486 CB LYS A 31 11.209 -8.932 1.928 1.00 0.00 C ATOM 487 CG LYS A 31 11.264 -8.329 0.538 1.00 0.00 C ATOM 488 CD LYS A 31 10.083 -8.773 -0.332 1.00 0.00 C ATOM 489 CE LYS A 31 10.317 -8.383 -1.796 1.00 0.00 C ATOM 490 NZ LYS A 31 9.550 -9.251 -2.715 1.00 0.00 N ATOM 0 H LYS A 31 11.761 -9.432 4.058 1.00 0.00 H new ATOM 0 HA LYS A 31 11.328 -6.928 2.799 1.00 0.00 H new ATOM 0 HB2 LYS A 31 12.166 -9.402 2.153 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.455 -9.719 1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.268 -7.242 0.615 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.198 -8.618 0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.952 -9.852 -0.254 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.164 -8.313 0.030 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.027 -7.343 -1.948 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.380 -8.454 -2.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.522 -8.817 -3.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.008 -10.183 -2.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.580 -9.364 -2.357 1.00 0.00 H new ATOM 504 N GLN A 32 8.573 -8.467 3.689 1.00 0.00 N ATOM 505 CA GLN A 32 7.177 -8.105 3.903 1.00 0.00 C ATOM 506 C GLN A 32 7.092 -7.108 5.055 1.00 0.00 C ATOM 507 O GLN A 32 6.337 -6.157 4.929 1.00 0.00 O ATOM 508 CB GLN A 32 6.233 -9.314 4.081 1.00 0.00 C ATOM 509 CG GLN A 32 6.494 -10.240 5.280 1.00 0.00 C ATOM 510 CD GLN A 32 5.276 -11.106 5.612 1.00 0.00 C ATOM 511 OE1 GLN A 32 4.240 -10.604 6.052 1.00 0.00 O ATOM 512 NE2 GLN A 32 5.370 -12.411 5.442 1.00 0.00 N ATOM 0 H GLN A 32 8.838 -9.401 4.001 1.00 0.00 H new ATOM 0 HA GLN A 32 6.812 -7.630 2.993 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.213 -8.937 4.161 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.280 -9.916 3.173 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.347 -10.883 5.063 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.760 -9.640 6.150 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.232 -12.817 5.077 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.581 -13.014 5.675 1.00 0.00 H new ATOM 521 N ASP A 33 7.880 -7.271 6.125 1.00 0.00 N ATOM 522 CA ASP A 33 7.921 -6.328 7.268 1.00 0.00 C ATOM 523 C ASP A 33 8.272 -4.908 6.839 1.00 0.00 C ATOM 524 O ASP A 33 7.621 -3.956 7.267 1.00 0.00 O ATOM 525 CB ASP A 33 8.973 -6.848 8.259 1.00 0.00 C ATOM 526 CG ASP A 33 9.370 -5.993 9.471 1.00 0.00 C ATOM 527 OD1 ASP A 33 9.795 -4.834 9.286 1.00 0.00 O ATOM 528 OD2 ASP A 33 9.691 -6.589 10.526 1.00 0.00 O ATOM 0 H ASP A 33 8.514 -8.063 6.230 1.00 0.00 H new ATOM 0 HA ASP A 33 6.931 -6.280 7.722 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.616 -7.805 8.640 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.882 -7.050 7.692 1.00 0.00 H new ATOM 533 N ASP A 34 9.271 -4.787 5.970 1.00 0.00 N ATOM 534 CA ASP A 34 9.866 -3.507 5.593 1.00 0.00 C ATOM 535 C ASP A 34 8.834 -2.696 4.814 1.00 0.00 C ATOM 536 O ASP A 34 8.518 -1.554 5.154 1.00 0.00 O ATOM 537 CB ASP A 34 11.139 -3.731 4.759 1.00 0.00 C ATOM 538 CG ASP A 34 11.829 -2.428 4.342 1.00 0.00 C ATOM 539 OD1 ASP A 34 12.718 -1.986 5.107 1.00 0.00 O ATOM 540 OD2 ASP A 34 11.547 -1.949 3.221 1.00 0.00 O ATOM 0 H ASP A 34 9.697 -5.586 5.501 1.00 0.00 H new ATOM 0 HA ASP A 34 10.154 -2.955 6.488 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.839 -4.337 5.334 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.884 -4.301 3.865 1.00 0.00 H new ATOM 545 N ASN A 35 8.195 -3.360 3.843 1.00 0.00 N ATOM 546 CA ASN A 35 6.974 -2.870 3.226 1.00 0.00 C ATOM 547 C ASN A 35 5.952 -2.555 4.291 1.00 0.00 C ATOM 548 O ASN A 35 5.290 -1.539 4.168 1.00 0.00 O ATOM 549 CB ASN A 35 6.367 -3.916 2.280 1.00 0.00 C ATOM 550 CG ASN A 35 5.051 -3.519 1.585 1.00 0.00 C ATOM 551 OD1 ASN A 35 4.047 -2.911 2.204 1.00 0.00 O flip ATOM 552 ND2 ASN A 35 4.858 -3.847 0.436 1.00 0.00 N flip ATOM 0 H ASN A 35 8.517 -4.252 3.468 1.00 0.00 H new ATOM 0 HA ASN A 35 7.230 -1.976 2.658 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.103 -4.152 1.512 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.193 -4.831 2.846 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.594 -4.318 -0.090 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.960 -3.652 -0.006 1.00 0.00 H new ATOM 559 N LEU A 36 5.661 -3.460 5.218 1.00 0.00 N ATOM 560 CA LEU A 36 4.481 -3.381 6.042 1.00 0.00 C ATOM 561 C LEU A 36 4.438 -2.090 6.848 1.00 0.00 C ATOM 562 O LEU A 36 3.439 -1.375 6.808 1.00 0.00 O ATOM 563 CB LEU A 36 4.361 -4.672 6.867 1.00 0.00 C ATOM 564 CG LEU A 36 3.371 -5.661 6.251 1.00 0.00 C ATOM 565 CD1 LEU A 36 3.260 -6.914 7.116 1.00 0.00 C ATOM 566 CD2 LEU A 36 1.984 -5.076 5.956 1.00 0.00 C ATOM 0 H LEU A 36 6.247 -4.272 5.413 1.00 0.00 H new ATOM 0 HA LEU A 36 3.587 -3.322 5.421 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.341 -5.143 6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.043 -4.426 7.880 1.00 0.00 H new ATOM 0 HG LEU A 36 3.784 -5.921 5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.551 -7.607 6.663 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.237 -7.392 7.192 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.912 -6.639 8.112 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.349 -5.848 5.521 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.536 -4.717 6.882 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.080 -4.247 5.254 1.00 0.00 H new ATOM 578 N GLU A 37 5.559 -1.743 7.463 1.00 0.00 N ATOM 579 CA GLU A 37 5.774 -0.432 8.089 1.00 0.00 C ATOM 580 C GLU A 37 5.566 0.647 7.044 1.00 0.00 C ATOM 581 O GLU A 37 4.762 1.547 7.261 1.00 0.00 O ATOM 582 CB GLU A 37 7.176 -0.314 8.718 1.00 0.00 C ATOM 583 CG GLU A 37 7.390 0.972 9.555 1.00 0.00 C ATOM 584 CD GLU A 37 7.410 2.314 8.787 1.00 0.00 C ATOM 585 OE1 GLU A 37 8.025 2.397 7.703 1.00 0.00 O ATOM 586 OE2 GLU A 37 6.823 3.296 9.301 1.00 0.00 O ATOM 0 H GLU A 37 6.361 -2.368 7.546 1.00 0.00 H new ATOM 0 HA GLU A 37 5.056 -0.312 8.900 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.351 -1.182 9.354 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.922 -0.346 7.924 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.601 1.023 10.306 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.334 0.874 10.091 1.00 0.00 H new ATOM 593 N HIS A 38 6.232 0.545 5.899 1.00 0.00 N ATOM 594 CA HIS A 38 6.165 1.574 4.880 1.00 0.00 C ATOM 595 C HIS A 38 4.716 1.833 4.422 1.00 0.00 C ATOM 596 O HIS A 38 4.317 2.972 4.200 1.00 0.00 O ATOM 597 CB HIS A 38 7.089 1.165 3.735 1.00 0.00 C ATOM 598 CG HIS A 38 7.397 2.323 2.850 1.00 0.00 C ATOM 599 ND1 HIS A 38 8.192 3.388 3.189 1.00 0.00 N ATOM 600 CD2 HIS A 38 6.854 2.551 1.623 1.00 0.00 C ATOM 601 CE1 HIS A 38 8.144 4.253 2.167 1.00 0.00 C ATOM 602 NE2 HIS A 38 7.370 3.777 1.173 1.00 0.00 N ATOM 0 H HIS A 38 6.827 -0.247 5.657 1.00 0.00 H new ATOM 0 HA HIS A 38 6.505 2.527 5.285 1.00 0.00 H new ATOM 0 HB2 HIS A 38 8.015 0.757 4.140 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.620 0.373 3.151 1.00 0.00 H new ATOM 0 HD1 HIS A 38 8.720 3.500 4.055 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.160 1.912 1.097 1.00 0.00 H new ATOM 0 HE1 HIS A 38 8.657 5.203 2.143 1.00 0.00 H new ATOM 610 N PHE A 39 3.915 0.776 4.316 1.00 0.00 N ATOM 611 CA PHE A 39 2.482 0.718 4.042 1.00 0.00 C ATOM 612 C PHE A 39 1.618 1.307 5.156 1.00 0.00 C ATOM 613 O PHE A 39 0.469 1.664 4.894 1.00 0.00 O ATOM 614 CB PHE A 39 2.118 -0.741 3.777 1.00 0.00 C ATOM 615 CG PHE A 39 0.664 -1.078 3.530 1.00 0.00 C ATOM 616 CD1 PHE A 39 -0.022 -0.451 2.481 1.00 0.00 C ATOM 617 CD2 PHE A 39 0.038 -2.117 4.243 1.00 0.00 C ATOM 618 CE1 PHE A 39 -1.330 -0.827 2.147 1.00 0.00 C ATOM 619 CE2 PHE A 39 -1.278 -2.487 3.918 1.00 0.00 C ATOM 620 CZ PHE A 39 -1.977 -1.807 2.915 1.00 0.00 C ATOM 0 H PHE A 39 4.296 -0.163 4.433 1.00 0.00 H new ATOM 0 HA PHE A 39 2.274 1.339 3.171 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.690 -1.076 2.911 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.457 -1.330 4.630 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.465 0.334 1.921 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.566 -2.627 5.035 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.834 -0.368 1.309 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.753 -3.301 4.446 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.016 -2.037 2.732 1.00 0.00 H new ATOM 630 N ILE A 40 2.119 1.438 6.376 1.00 0.00 N ATOM 631 CA ILE A 40 1.533 2.393 7.320 1.00 0.00 C ATOM 632 C ILE A 40 2.000 3.782 6.872 1.00 0.00 C ATOM 633 O ILE A 40 1.182 4.685 6.674 1.00 0.00 O ATOM 634 CB ILE A 40 1.930 2.118 8.806 1.00 0.00 C ATOM 635 CG1 ILE A 40 1.131 0.963 9.437 1.00 0.00 C ATOM 636 CG2 ILE A 40 1.685 3.339 9.718 1.00 0.00 C ATOM 637 CD1 ILE A 40 1.530 -0.373 8.832 1.00 0.00 C ATOM 0 H ILE A 40 2.914 0.909 6.735 1.00 0.00 H new ATOM 0 HA ILE A 40 0.447 2.304 7.304 1.00 0.00 H new ATOM 0 HB ILE A 40 2.990 1.871 8.750 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.302 0.944 10.513 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.064 1.130 9.287 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.977 3.095 10.739 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.277 4.183 9.363 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.628 3.603 9.696 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.950 -1.170 9.296 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.335 -0.360 7.760 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.592 -0.548 9.005 1.00 0.00 H new ATOM 649 N SER A 41 3.313 3.923 6.704 1.00 0.00 N ATOM 650 CA SER A 41 4.040 5.160 6.726 1.00 0.00 C ATOM 651 C SER A 41 3.609 6.177 5.657 1.00 0.00 C ATOM 652 O SER A 41 3.070 7.225 6.011 1.00 0.00 O ATOM 653 CB SER A 41 5.543 4.859 6.740 1.00 0.00 C ATOM 654 OG SER A 41 6.172 5.403 7.881 1.00 0.00 O ATOM 0 H SER A 41 3.921 3.120 6.540 1.00 0.00 H new ATOM 0 HA SER A 41 3.786 5.682 7.649 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.699 3.780 6.718 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.005 5.266 5.841 1.00 0.00 H new ATOM 0 HG SER A 41 6.697 4.707 8.328 1.00 0.00 H new ATOM 660 N VAL A 42 3.797 5.910 4.350 1.00 0.00 N ATOM 661 CA VAL A 42 3.353 6.753 3.275 1.00 0.00 C ATOM 662 C VAL A 42 1.843 6.975 3.322 1.00 0.00 C ATOM 663 O VAL A 42 1.358 8.007 2.846 1.00 0.00 O ATOM 664 CB VAL A 42 3.822 6.126 1.985 1.00 0.00 C ATOM 665 CG1 VAL A 42 5.207 6.646 1.599 1.00 0.00 C ATOM 666 CG2 VAL A 42 3.734 4.624 1.797 1.00 0.00 C ATOM 0 H VAL A 42 4.279 5.071 4.026 1.00 0.00 H new ATOM 0 HA VAL A 42 3.783 7.751 3.363 1.00 0.00 H new ATOM 0 HB VAL A 42 3.048 6.465 1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.524 6.180 0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.166 7.727 1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.920 6.402 2.387 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.116 4.358 0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.328 4.126 2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.694 4.307 1.881 1.00 0.00 H new ATOM 676 N THR A 43 1.099 5.990 3.818 1.00 0.00 N ATOM 677 CA THR A 43 -0.314 5.879 3.650 1.00 0.00 C ATOM 678 C THR A 43 -1.083 6.689 4.668 1.00 0.00 C ATOM 679 O THR A 43 -2.195 7.106 4.350 1.00 0.00 O ATOM 680 CB THR A 43 -0.665 4.401 3.652 1.00 0.00 C ATOM 681 OG1 THR A 43 0.426 3.597 3.252 1.00 0.00 O ATOM 682 CG2 THR A 43 -1.743 4.093 2.643 1.00 0.00 C ATOM 0 H THR A 43 1.496 5.227 4.366 1.00 0.00 H new ATOM 0 HA THR A 43 -0.615 6.311 2.696 1.00 0.00 H new ATOM 0 HB THR A 43 -0.974 4.187 4.675 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.289 2.679 3.567 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.972 3.028 2.669 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.640 4.663 2.884 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.397 4.366 1.646 1.00 0.00 H new ATOM 690 N GLU A 44 -0.532 6.919 5.862 1.00 0.00 N ATOM 691 CA GLU A 44 -1.216 7.498 7.021 1.00 0.00 C ATOM 692 C GLU A 44 -2.469 6.669 7.389 1.00 0.00 C ATOM 693 O GLU A 44 -3.212 7.046 8.292 1.00 0.00 O ATOM 694 CB GLU A 44 -1.532 9.002 6.797 1.00 0.00 C ATOM 695 CG GLU A 44 -0.309 9.899 6.496 1.00 0.00 C ATOM 696 CD GLU A 44 -0.701 11.267 5.902 1.00 0.00 C ATOM 697 OE1 GLU A 44 -1.470 12.011 6.545 1.00 0.00 O ATOM 698 OE2 GLU A 44 -0.296 11.537 4.739 1.00 0.00 O ATOM 0 H GLU A 44 0.445 6.697 6.056 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.544 7.452 7.878 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.237 9.088 5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.034 9.387 7.685 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.255 10.056 7.415 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.352 9.382 5.800 1.00 0.00 H new ATOM 705 N HIS A 45 -2.715 5.551 6.687 1.00 0.00 N ATOM 706 CA HIS A 45 -3.949 4.783 6.737 1.00 0.00 C ATOM 707 C HIS A 45 -3.894 4.002 8.059 1.00 0.00 C ATOM 708 O HIS A 45 -3.025 3.145 8.197 1.00 0.00 O ATOM 709 CB HIS A 45 -4.144 3.881 5.484 1.00 0.00 C ATOM 710 CG HIS A 45 -5.493 3.170 5.456 1.00 0.00 C ATOM 711 ND1 HIS A 45 -5.933 2.357 6.476 1.00 0.00 N ATOM 712 CD2 HIS A 45 -6.502 3.205 4.505 1.00 0.00 C ATOM 713 CE1 HIS A 45 -7.198 1.998 6.213 1.00 0.00 C ATOM 714 NE2 HIS A 45 -7.578 2.481 5.027 1.00 0.00 N ATOM 0 H HIS A 45 -2.028 5.150 6.048 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.826 5.430 6.713 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.044 4.491 4.587 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.348 3.137 5.453 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.464 3.698 3.545 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.820 1.404 6.866 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.487 2.346 4.584 1.00 0.00 H new ATOM 722 N PRO A 46 -4.788 4.256 9.032 1.00 0.00 N ATOM 723 CA PRO A 46 -4.719 3.698 10.379 1.00 0.00 C ATOM 724 C PRO A 46 -4.695 2.170 10.389 1.00 0.00 C ATOM 725 O PRO A 46 -3.964 1.572 11.170 1.00 0.00 O ATOM 726 CB PRO A 46 -5.924 4.272 11.142 1.00 0.00 C ATOM 727 CG PRO A 46 -6.772 5.013 10.101 1.00 0.00 C ATOM 728 CD PRO A 46 -5.833 5.242 8.940 1.00 0.00 C ATOM 0 HA PRO A 46 -3.783 3.978 10.861 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.498 3.477 11.618 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.599 4.948 11.933 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.637 4.422 9.801 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.151 5.955 10.496 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.364 5.151 7.993 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.416 6.248 8.976 1.00 0.00 H new ATOM 736 N SER A 47 -5.470 1.545 9.505 1.00 0.00 N ATOM 737 CA SER A 47 -5.532 0.103 9.302 1.00 0.00 C ATOM 738 C SER A 47 -4.395 -0.395 8.391 1.00 0.00 C ATOM 739 O SER A 47 -4.547 -1.408 7.720 1.00 0.00 O ATOM 740 CB SER A 47 -6.908 -0.252 8.719 1.00 0.00 C ATOM 741 OG SER A 47 -7.947 0.571 9.231 1.00 0.00 O ATOM 0 H SER A 47 -6.099 2.054 8.884 1.00 0.00 H new ATOM 0 HA SER A 47 -5.400 -0.398 10.261 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.875 -0.156 7.634 1.00 0.00 H new ATOM 0 HB3 SER A 47 -7.134 -1.295 8.940 1.00 0.00 H new ATOM 0 HG SER A 47 -8.801 0.308 8.829 1.00 0.00 H new ATOM 747 N GLY A 48 -3.287 0.337 8.252 1.00 0.00 N ATOM 748 CA GLY A 48 -2.106 -0.158 7.552 1.00 0.00 C ATOM 749 C GLY A 48 -1.788 -1.585 8.012 1.00 0.00 C ATOM 750 O GLY A 48 -1.824 -1.882 9.203 1.00 0.00 O ATOM 0 H GLY A 48 -3.186 1.283 8.620 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.277 -0.143 6.476 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.256 0.495 7.748 1.00 0.00 H new ATOM 754 N SER A 49 -1.555 -2.465 7.039 1.00 0.00 N ATOM 755 CA SER A 49 -1.369 -3.916 7.117 1.00 0.00 C ATOM 756 C SER A 49 -2.674 -4.693 7.232 1.00 0.00 C ATOM 757 O SER A 49 -2.757 -5.800 6.704 1.00 0.00 O ATOM 758 CB SER A 49 -0.460 -4.309 8.301 1.00 0.00 C ATOM 759 OG SER A 49 -0.011 -5.649 8.231 1.00 0.00 O ATOM 0 H SER A 49 -1.484 -2.146 6.073 1.00 0.00 H new ATOM 0 HA SER A 49 -0.897 -4.186 6.173 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.403 -3.643 8.326 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.004 -4.162 9.234 1.00 0.00 H new ATOM 0 HG SER A 49 0.561 -5.843 9.003 1.00 0.00 H new ATOM 765 N ASP A 50 -3.696 -4.140 7.872 1.00 0.00 N ATOM 766 CA ASP A 50 -4.973 -4.808 8.122 1.00 0.00 C ATOM 767 C ASP A 50 -5.632 -5.194 6.797 1.00 0.00 C ATOM 768 O ASP A 50 -6.231 -6.256 6.684 1.00 0.00 O ATOM 769 CB ASP A 50 -5.856 -3.835 8.924 1.00 0.00 C ATOM 770 CG ASP A 50 -6.952 -4.451 9.790 1.00 0.00 C ATOM 771 OD1 ASP A 50 -6.678 -5.487 10.433 1.00 0.00 O ATOM 772 OD2 ASP A 50 -7.994 -3.766 9.926 1.00 0.00 O ATOM 0 H ASP A 50 -3.662 -3.190 8.242 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.828 -5.727 8.690 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.208 -3.241 9.569 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.325 -3.146 8.222 1.00 0.00 H new ATOM 777 N LEU A 51 -5.401 -4.413 5.733 1.00 0.00 N ATOM 778 CA LEU A 51 -6.003 -4.626 4.423 1.00 0.00 C ATOM 779 C LEU A 51 -5.315 -5.760 3.661 1.00 0.00 C ATOM 780 O LEU A 51 -5.781 -6.153 2.594 1.00 0.00 O ATOM 781 CB LEU A 51 -5.888 -3.315 3.627 1.00 0.00 C ATOM 782 CG LEU A 51 -6.821 -2.150 4.011 1.00 0.00 C ATOM 783 CD1 LEU A 51 -8.241 -2.609 4.332 1.00 0.00 C ATOM 784 CD2 LEU A 51 -6.292 -1.338 5.186 1.00 0.00 C ATOM 0 H LEU A 51 -4.780 -3.605 5.766 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.047 -4.912 4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.860 -2.962 3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.059 -3.547 2.576 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.848 -1.516 3.124 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.852 -1.745 4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.669 -3.104 3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.217 -3.306 5.170 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.988 -0.531 5.413 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.188 -1.984 6.058 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.320 -0.917 4.929 1.00 0.00 H new ATOM 796 N ILE A 52 -4.192 -6.254 4.180 1.00 0.00 N ATOM 797 CA ILE A 52 -3.349 -7.266 3.563 1.00 0.00 C ATOM 798 C ILE A 52 -3.424 -8.544 4.411 1.00 0.00 C ATOM 799 O ILE A 52 -3.378 -9.639 3.856 1.00 0.00 O ATOM 800 CB ILE A 52 -1.933 -6.694 3.379 1.00 0.00 C ATOM 801 CG1 ILE A 52 -1.983 -5.619 2.269 1.00 0.00 C ATOM 802 CG2 ILE A 52 -0.809 -7.718 3.122 1.00 0.00 C ATOM 803 CD1 ILE A 52 -0.657 -4.911 1.994 1.00 0.00 C ATOM 0 H ILE A 52 -3.833 -5.943 5.083 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.689 -7.540 2.565 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.651 -6.266 4.341 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.326 -6.087 1.346 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.727 -4.871 2.542 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.141 -7.195 3.009 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.746 -8.408 3.964 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.026 -8.276 2.211 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.795 -4.176 1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.318 -4.408 2.900 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.089 -5.643 1.685 1.00 0.00 H new ATOM 815 N TYR A 53 -3.541 -8.422 5.742 1.00 0.00 N ATOM 816 CA TYR A 53 -3.578 -9.554 6.658 1.00 0.00 C ATOM 817 C TYR A 53 -5.009 -9.987 6.980 1.00 0.00 C ATOM 818 O TYR A 53 -5.275 -11.189 7.023 1.00 0.00 O ATOM 819 CB TYR A 53 -2.832 -9.175 7.949 1.00 0.00 C ATOM 820 CG TYR A 53 -1.313 -9.315 7.969 1.00 0.00 C ATOM 821 CD1 TYR A 53 -0.561 -9.674 6.828 1.00 0.00 C ATOM 822 CD2 TYR A 53 -0.648 -9.131 9.197 1.00 0.00 C ATOM 823 CE1 TYR A 53 0.828 -9.885 6.923 1.00 0.00 C ATOM 824 CE2 TYR A 53 0.740 -9.337 9.298 1.00 0.00 C ATOM 825 CZ TYR A 53 1.484 -9.733 8.165 1.00 0.00 C ATOM 826 OH TYR A 53 2.819 -9.977 8.290 1.00 0.00 O ATOM 0 H TYR A 53 -3.613 -7.519 6.211 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.091 -10.402 6.176 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.074 -8.138 8.182 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.234 -9.786 8.758 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.056 -9.788 5.875 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.209 -8.829 10.069 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.393 -10.163 6.045 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.238 -9.192 10.245 1.00 0.00 H new ATOM 0 HH TYR A 53 3.226 -10.032 7.400 1.00 0.00 H new ATOM 836 N TYR A 54 -5.922 -9.045 7.234 1.00 0.00 N ATOM 837 CA TYR A 54 -7.256 -9.315 7.766 1.00 0.00 C ATOM 838 C TYR A 54 -8.293 -8.529 6.943 1.00 0.00 C ATOM 839 O TYR A 54 -9.007 -7.690 7.493 1.00 0.00 O ATOM 840 CB TYR A 54 -7.282 -8.974 9.272 1.00 0.00 C ATOM 841 CG TYR A 54 -6.133 -9.539 10.101 1.00 0.00 C ATOM 842 CD1 TYR A 54 -5.813 -10.910 10.046 1.00 0.00 C ATOM 843 CD2 TYR A 54 -5.346 -8.677 10.889 1.00 0.00 C ATOM 844 CE1 TYR A 54 -4.686 -11.408 10.725 1.00 0.00 C ATOM 845 CE2 TYR A 54 -4.230 -9.167 11.590 1.00 0.00 C ATOM 846 CZ TYR A 54 -3.884 -10.532 11.492 1.00 0.00 C ATOM 847 OH TYR A 54 -2.762 -10.993 12.112 1.00 0.00 O ATOM 0 H TYR A 54 -5.748 -8.053 7.071 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.512 -10.371 7.678 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.283 -7.889 9.380 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.220 -9.337 9.691 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.438 -11.584 9.478 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.602 -7.630 10.955 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.434 -12.456 10.661 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -3.639 -8.501 12.202 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.330 -10.258 12.595 1.00 0.00 H new ATOM 857 N PRO A 55 -8.379 -8.772 5.620 1.00 0.00 N ATOM 858 CA PRO A 55 -9.138 -7.926 4.713 1.00 0.00 C ATOM 859 C PRO A 55 -10.637 -7.948 5.044 1.00 0.00 C ATOM 860 O PRO A 55 -11.191 -8.942 5.527 1.00 0.00 O ATOM 861 CB PRO A 55 -8.841 -8.480 3.327 1.00 0.00 C ATOM 862 CG PRO A 55 -8.546 -9.939 3.556 1.00 0.00 C ATOM 863 CD PRO A 55 -7.802 -9.896 4.892 1.00 0.00 C ATOM 0 HA PRO A 55 -8.855 -6.876 4.791 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.690 -8.348 2.657 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.992 -7.971 2.870 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.456 -10.537 3.612 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.934 -10.363 2.760 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -7.929 -10.828 5.443 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.731 -9.759 4.741 1.00 0.00 H new ATOM 871 N GLU A 56 -11.300 -6.839 4.738 1.00 0.00 N ATOM 872 CA GLU A 56 -12.749 -6.708 4.718 1.00 0.00 C ATOM 873 C GLU A 56 -13.317 -7.306 3.419 1.00 0.00 C ATOM 874 O GLU A 56 -12.605 -7.888 2.610 1.00 0.00 O ATOM 875 CB GLU A 56 -13.172 -5.235 4.952 1.00 0.00 C ATOM 876 CG GLU A 56 -12.234 -4.142 4.404 1.00 0.00 C ATOM 877 CD GLU A 56 -11.737 -4.452 2.993 1.00 0.00 C ATOM 878 OE1 GLU A 56 -12.573 -4.406 2.059 1.00 0.00 O ATOM 879 OE2 GLU A 56 -10.546 -4.822 2.875 1.00 0.00 O ATOM 0 H GLU A 56 -10.823 -5.973 4.487 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.178 -7.279 5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.157 -5.091 4.507 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.281 -5.080 6.025 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.758 -3.186 4.399 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.379 -4.033 5.071 1.00 0.00 H new ATOM 886 N GLY A 57 -14.633 -7.200 3.219 1.00 0.00 N ATOM 887 CA GLY A 57 -15.338 -7.874 2.128 1.00 0.00 C ATOM 888 C GLY A 57 -15.638 -7.011 0.914 1.00 0.00 C ATOM 889 O GLY A 57 -16.478 -7.369 0.090 1.00 0.00 O ATOM 0 H GLY A 57 -15.243 -6.640 3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -14.743 -8.729 1.807 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -16.278 -8.268 2.514 1.00 0.00 H new ATOM 893 N ASN A 58 -15.014 -5.842 0.841 1.00 0.00 N ATOM 894 CA ASN A 58 -14.832 -5.122 -0.419 1.00 0.00 C ATOM 895 C ASN A 58 -13.592 -5.697 -1.142 1.00 0.00 C ATOM 896 O ASN A 58 -13.369 -5.422 -2.323 1.00 0.00 O ATOM 897 CB ASN A 58 -14.718 -3.617 -0.108 1.00 0.00 C ATOM 898 CG ASN A 58 -13.678 -2.887 -0.894 1.00 0.00 C ATOM 899 OD1 ASN A 58 -13.976 -2.241 -1.900 1.00 0.00 O ATOM 900 ND2 ASN A 58 -12.493 -2.875 -0.356 1.00 0.00 N ATOM 0 H ASN A 58 -14.619 -5.364 1.651 1.00 0.00 H new ATOM 0 HA ASN A 58 -15.680 -5.249 -1.092 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -15.685 -3.149 -0.291 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -14.501 -3.496 0.953 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.751 -2.309 -0.768 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.306 -3.431 0.478 1.00 0.00 H new ATOM 907 N ASN A 59 -12.823 -6.532 -0.442 1.00 0.00 N ATOM 908 CA ASN A 59 -11.495 -7.028 -0.752 1.00 0.00 C ATOM 909 C ASN A 59 -11.529 -8.554 -0.720 1.00 0.00 C ATOM 910 O ASN A 59 -12.534 -9.130 -0.304 1.00 0.00 O ATOM 911 CB ASN A 59 -10.607 -6.408 0.331 1.00 0.00 C ATOM 912 CG ASN A 59 -9.103 -6.627 0.318 1.00 0.00 C ATOM 913 OD1 ASN A 59 -8.520 -7.143 -0.633 1.00 0.00 O ATOM 914 ND2 ASN A 59 -8.480 -6.206 1.411 1.00 0.00 N ATOM 0 H ASN A 59 -13.155 -6.912 0.444 1.00 0.00 H new ATOM 0 HA ASN A 59 -11.120 -6.763 -1.740 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.775 -5.331 0.306 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -10.975 -6.766 1.292 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.468 -6.304 1.491 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.013 -5.784 2.172 1.00 0.00 H new ATOM 921 N ASP A 60 -10.459 -9.169 -1.232 1.00 0.00 N ATOM 922 CA ASP A 60 -10.206 -10.601 -1.518 1.00 0.00 C ATOM 923 C ASP A 60 -9.730 -10.711 -2.959 1.00 0.00 C ATOM 924 O ASP A 60 -8.637 -11.200 -3.236 1.00 0.00 O ATOM 925 CB ASP A 60 -11.425 -11.538 -1.335 1.00 0.00 C ATOM 926 CG ASP A 60 -11.245 -12.914 -1.997 1.00 0.00 C ATOM 927 OD1 ASP A 60 -10.689 -13.820 -1.338 1.00 0.00 O ATOM 928 OD2 ASP A 60 -11.724 -13.063 -3.148 1.00 0.00 O ATOM 0 H ASP A 60 -9.644 -8.613 -1.491 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.466 -10.932 -0.789 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.610 -11.677 -0.270 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.310 -11.056 -1.751 1.00 0.00 H new ATOM 933 N GLY A 61 -10.546 -10.176 -3.871 1.00 0.00 N ATOM 934 CA GLY A 61 -10.510 -10.559 -5.277 1.00 0.00 C ATOM 935 C GLY A 61 -9.175 -10.249 -5.942 1.00 0.00 C ATOM 936 O GLY A 61 -8.768 -10.926 -6.890 1.00 0.00 O ATOM 0 H GLY A 61 -11.247 -9.468 -3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.714 -11.626 -5.363 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.305 -10.039 -5.811 1.00 0.00 H new ATOM 940 N SER A 62 -8.494 -9.193 -5.500 1.00 0.00 N ATOM 941 CA SER A 62 -7.154 -8.851 -5.819 1.00 0.00 C ATOM 942 C SER A 62 -6.724 -7.762 -4.823 1.00 0.00 C ATOM 943 O SER A 62 -7.582 -6.974 -4.414 1.00 0.00 O ATOM 944 CB SER A 62 -7.262 -8.250 -7.199 1.00 0.00 C ATOM 945 OG SER A 62 -7.003 -9.221 -8.188 1.00 0.00 O ATOM 0 H SER A 62 -8.918 -8.519 -4.863 1.00 0.00 H new ATOM 0 HA SER A 62 -6.448 -9.681 -5.779 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.259 -7.834 -7.343 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.556 -7.426 -7.298 1.00 0.00 H new ATOM 0 HG SER A 62 -7.525 -10.028 -7.999 1.00 0.00 H new ATOM 951 N PRO A 63 -5.418 -7.583 -4.548 1.00 0.00 N ATOM 952 CA PRO A 63 -4.908 -6.523 -3.673 1.00 0.00 C ATOM 953 C PRO A 63 -5.079 -5.113 -4.265 1.00 0.00 C ATOM 954 O PRO A 63 -4.640 -4.112 -3.702 1.00 0.00 O ATOM 955 CB PRO A 63 -3.441 -6.883 -3.425 1.00 0.00 C ATOM 956 CG PRO A 63 -3.044 -7.628 -4.699 1.00 0.00 C ATOM 957 CD PRO A 63 -4.319 -8.387 -5.064 1.00 0.00 C ATOM 0 HA PRO A 63 -5.475 -6.475 -2.743 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.829 -5.994 -3.271 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.324 -7.508 -2.540 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.742 -6.942 -5.490 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.207 -8.304 -4.527 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.402 -8.517 -6.143 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -4.322 -9.383 -4.622 1.00 0.00 H new ATOM 965 N GLU A 64 -5.696 -4.989 -5.430 1.00 0.00 N ATOM 966 CA GLU A 64 -6.232 -3.788 -6.006 1.00 0.00 C ATOM 967 C GLU A 64 -7.290 -3.173 -5.121 1.00 0.00 C ATOM 968 O GLU A 64 -7.321 -1.960 -4.983 1.00 0.00 O ATOM 969 CB GLU A 64 -6.838 -4.225 -7.329 1.00 0.00 C ATOM 970 CG GLU A 64 -5.799 -4.815 -8.303 1.00 0.00 C ATOM 971 CD GLU A 64 -4.328 -4.517 -7.977 1.00 0.00 C ATOM 972 OE1 GLU A 64 -3.934 -3.330 -7.903 1.00 0.00 O ATOM 973 OE2 GLU A 64 -3.612 -5.462 -7.581 1.00 0.00 O ATOM 0 H GLU A 64 -5.841 -5.796 -6.037 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.461 -3.027 -6.130 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.613 -4.968 -7.139 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.324 -3.370 -7.799 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.932 -5.896 -8.334 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.013 -4.439 -9.303 1.00 0.00 H new ATOM 980 N ALA A 65 -8.088 -4.009 -4.471 1.00 0.00 N ATOM 981 CA ALA A 65 -8.934 -3.625 -3.351 1.00 0.00 C ATOM 982 C ALA A 65 -8.149 -2.906 -2.242 1.00 0.00 C ATOM 983 O ALA A 65 -8.726 -2.048 -1.591 1.00 0.00 O ATOM 984 CB ALA A 65 -9.633 -4.873 -2.810 1.00 0.00 C ATOM 0 H ALA A 65 -8.166 -4.996 -4.714 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.675 -2.910 -3.708 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.270 -4.598 -1.970 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.242 -5.319 -3.596 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.886 -5.593 -2.478 1.00 0.00 H new ATOM 990 N VAL A 66 -6.842 -3.136 -2.060 1.00 0.00 N ATOM 991 CA VAL A 66 -6.070 -2.282 -1.140 1.00 0.00 C ATOM 992 C VAL A 66 -5.749 -0.951 -1.821 1.00 0.00 C ATOM 993 O VAL A 66 -5.783 0.096 -1.187 1.00 0.00 O ATOM 994 CB VAL A 66 -4.754 -2.950 -0.698 1.00 0.00 C ATOM 995 CG1 VAL A 66 -4.032 -2.095 0.333 1.00 0.00 C ATOM 996 CG2 VAL A 66 -4.916 -4.391 -0.170 1.00 0.00 C ATOM 0 H VAL A 66 -6.310 -3.877 -2.517 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.682 -2.120 -0.253 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.154 -3.026 -1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.106 -2.587 0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.803 -1.121 -0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.669 -1.964 1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.941 -4.784 0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.577 -4.389 0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.344 -5.019 -0.952 1.00 0.00 H new ATOM 1006 N ILE A 67 -5.380 -0.956 -3.102 1.00 0.00 N ATOM 1007 CA ILE A 67 -4.962 0.276 -3.794 1.00 0.00 C ATOM 1008 C ILE A 67 -6.120 1.230 -3.876 1.00 0.00 C ATOM 1009 O ILE A 67 -5.935 2.433 -3.684 1.00 0.00 O ATOM 1010 CB ILE A 67 -4.372 -0.056 -5.187 1.00 0.00 C ATOM 1011 CG1 ILE A 67 -2.857 -0.279 -5.066 1.00 0.00 C ATOM 1012 CG2 ILE A 67 -4.592 0.990 -6.295 1.00 0.00 C ATOM 1013 CD1 ILE A 67 -2.542 -1.164 -3.869 1.00 0.00 C ATOM 0 H ILE A 67 -5.360 -1.793 -3.685 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.171 0.764 -3.225 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.922 -0.946 -5.494 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.478 -0.741 -5.977 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.350 0.680 -4.960 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.133 0.642 -7.220 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.661 1.134 -6.452 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.138 1.935 -5.998 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.464 -1.311 -3.799 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.903 -0.686 -2.958 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.033 -2.130 -3.991 1.00 0.00 H new ATOM 1025 N LYS A 68 -7.288 0.647 -4.110 1.00 0.00 N ATOM 1026 CA LYS A 68 -8.565 1.244 -3.825 1.00 0.00 C ATOM 1027 C LYS A 68 -8.498 1.845 -2.473 1.00 0.00 C ATOM 1028 O LYS A 68 -8.415 3.045 -2.423 1.00 0.00 O ATOM 1029 CB LYS A 68 -9.723 0.282 -3.854 1.00 0.00 C ATOM 1030 CG LYS A 68 -10.118 -0.050 -5.268 1.00 0.00 C ATOM 1031 CD LYS A 68 -11.628 -0.319 -5.417 1.00 0.00 C ATOM 1032 CE LYS A 68 -12.354 -1.018 -4.240 1.00 0.00 C ATOM 1033 NZ LYS A 68 -12.701 -0.122 -3.106 1.00 0.00 N ATOM 0 H LYS A 68 -7.364 -0.285 -4.517 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.750 1.976 -4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.454 -0.632 -3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.573 0.716 -3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.834 0.774 -5.923 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.563 -0.927 -5.599 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.123 0.635 -5.597 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.774 -0.927 -6.310 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.268 -1.477 -4.616 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.722 -1.824 -3.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.521 -0.509 -2.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.891 -0.054 -2.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.934 0.824 -3.470 1.00 0.00 H new ATOM 1047 N GLU A 69 -8.494 1.078 -1.404 1.00 0.00 N ATOM 1048 CA GLU A 69 -8.743 1.578 -0.087 1.00 0.00 C ATOM 1049 C GLU A 69 -7.717 2.601 0.361 1.00 0.00 C ATOM 1050 O GLU A 69 -8.025 3.435 1.197 1.00 0.00 O ATOM 1051 CB GLU A 69 -8.779 0.338 0.789 1.00 0.00 C ATOM 1052 CG GLU A 69 -10.203 0.055 1.310 1.00 0.00 C ATOM 1053 CD GLU A 69 -11.292 0.260 0.228 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -11.265 -0.418 -0.828 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -12.128 1.174 0.387 1.00 0.00 O ATOM 0 H GLU A 69 -8.314 0.075 -1.436 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.679 2.134 -0.032 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.421 -0.521 0.221 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.101 0.467 1.632 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.253 -0.970 1.679 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.411 0.709 2.157 1.00 0.00 H new ATOM 1062 N ILE A 70 -6.540 2.641 -0.247 1.00 0.00 N ATOM 1063 CA ILE A 70 -5.580 3.670 -0.042 1.00 0.00 C ATOM 1064 C ILE A 70 -6.155 4.917 -0.723 1.00 0.00 C ATOM 1065 O ILE A 70 -6.381 5.921 -0.054 1.00 0.00 O ATOM 1066 CB ILE A 70 -4.228 3.246 -0.558 1.00 0.00 C ATOM 1067 CG1 ILE A 70 -3.594 2.147 0.320 1.00 0.00 C ATOM 1068 CG2 ILE A 70 -3.335 4.478 -0.569 1.00 0.00 C ATOM 1069 CD1 ILE A 70 -4.299 1.461 1.505 1.00 0.00 C ATOM 0 H ILE A 70 -6.236 1.930 -0.912 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.406 3.887 1.012 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.340 2.827 -1.558 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.302 1.348 -0.361 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.675 2.574 0.722 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.346 4.207 -0.938 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.770 5.237 -1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.249 4.874 0.443 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.629 0.725 1.951 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.566 2.209 2.252 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.202 0.963 1.152 1.00 0.00 H new ATOM 1081 N LYS A 71 -6.402 4.871 -2.048 1.00 0.00 N ATOM 1082 CA LYS A 71 -7.111 5.961 -2.742 1.00 0.00 C ATOM 1083 C LYS A 71 -8.358 6.371 -1.974 1.00 0.00 C ATOM 1084 O LYS A 71 -8.554 7.569 -1.788 1.00 0.00 O ATOM 1085 CB LYS A 71 -7.603 5.595 -4.157 1.00 0.00 C ATOM 1086 CG LYS A 71 -6.536 5.243 -5.192 1.00 0.00 C ATOM 1087 CD LYS A 71 -7.046 4.197 -6.203 1.00 0.00 C ATOM 1088 CE LYS A 71 -8.396 4.536 -6.853 1.00 0.00 C ATOM 1089 NZ LYS A 71 -8.275 5.533 -7.935 1.00 0.00 N ATOM 0 H LYS A 71 -6.123 4.098 -2.652 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.370 6.758 -2.808 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.284 4.748 -4.071 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.184 6.433 -4.541 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.233 6.145 -5.723 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.651 4.858 -4.686 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.300 4.077 -6.989 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.133 3.235 -5.697 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.841 3.625 -7.253 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.076 4.915 -6.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.215 5.724 -8.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.877 6.414 -7.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.648 5.164 -8.678 1.00 0.00 H new ATOM 1103 N GLU A 72 -9.211 5.427 -1.590 1.00 0.00 N ATOM 1104 CA GLU A 72 -10.553 5.648 -1.161 1.00 0.00 C ATOM 1105 C GLU A 72 -10.533 6.262 0.241 1.00 0.00 C ATOM 1106 O GLU A 72 -11.191 7.277 0.480 1.00 0.00 O ATOM 1107 CB GLU A 72 -11.222 4.272 -1.232 1.00 0.00 C ATOM 1108 CG GLU A 72 -12.419 4.192 -2.180 1.00 0.00 C ATOM 1109 CD GLU A 72 -12.024 3.692 -3.582 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -11.323 4.442 -4.308 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -12.446 2.563 -3.939 1.00 0.00 O ATOM 0 H GLU A 72 -8.953 4.440 -1.576 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.112 6.353 -1.776 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.479 3.538 -1.544 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.549 3.990 -0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.170 3.525 -1.757 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.879 5.177 -2.264 1.00 0.00 H new ATOM 1118 N TRP A 73 -9.706 5.724 1.144 1.00 0.00 N ATOM 1119 CA TRP A 73 -9.410 6.308 2.440 1.00 0.00 C ATOM 1120 C TRP A 73 -8.855 7.706 2.275 1.00 0.00 C ATOM 1121 O TRP A 73 -9.436 8.639 2.831 1.00 0.00 O ATOM 1122 CB TRP A 73 -8.483 5.419 3.235 1.00 0.00 C ATOM 1123 CG TRP A 73 -8.279 5.883 4.629 1.00 0.00 C ATOM 1124 CD1 TRP A 73 -9.051 5.561 5.687 1.00 0.00 C ATOM 1125 CD2 TRP A 73 -7.232 6.748 5.125 1.00 0.00 C ATOM 1126 NE1 TRP A 73 -8.553 6.181 6.816 1.00 0.00 N ATOM 1127 CE2 TRP A 73 -7.445 6.952 6.516 1.00 0.00 C ATOM 1128 CE3 TRP A 73 -6.117 7.361 4.528 1.00 0.00 C ATOM 1129 CZ2 TRP A 73 -6.592 7.753 7.283 1.00 0.00 C ATOM 1130 CZ3 TRP A 73 -5.246 8.150 5.289 1.00 0.00 C ATOM 1131 CH2 TRP A 73 -5.489 8.361 6.648 1.00 0.00 C ATOM 0 H TRP A 73 -9.214 4.845 0.981 1.00 0.00 H new ATOM 0 HA TRP A 73 -10.337 6.388 3.007 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -8.887 4.407 3.252 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -7.518 5.369 2.731 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -9.920 4.920 5.656 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -8.951 6.083 7.750 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -5.931 7.222 3.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -6.774 7.902 8.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -4.381 8.598 4.822 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -4.826 8.995 7.218 1.00 0.00 H new ATOM 1142 N ARG A 74 -7.763 7.893 1.520 1.00 0.00 N ATOM 1143 CA ARG A 74 -7.172 9.213 1.373 1.00 0.00 C ATOM 1144 C ARG A 74 -8.205 10.168 0.791 1.00 0.00 C ATOM 1145 O ARG A 74 -8.240 11.324 1.202 1.00 0.00 O ATOM 1146 CB ARG A 74 -5.926 9.129 0.485 1.00 0.00 C ATOM 1147 CG ARG A 74 -4.820 8.213 1.030 1.00 0.00 C ATOM 1148 CD ARG A 74 -3.947 8.808 2.130 1.00 0.00 C ATOM 1149 NE ARG A 74 -3.045 9.883 1.680 1.00 0.00 N ATOM 1150 CZ ARG A 74 -1.992 10.307 2.391 1.00 0.00 C ATOM 1151 NH1 ARG A 74 -1.503 9.575 3.368 1.00 0.00 N ATOM 1152 NH2 ARG A 74 -1.410 11.475 2.160 1.00 0.00 N ATOM 0 H ARG A 74 -7.282 7.151 1.011 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.864 9.593 2.347 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.221 8.774 -0.502 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.519 10.132 0.355 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.283 7.303 1.412 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.177 7.919 0.201 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.592 9.198 2.917 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.349 8.011 2.573 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.232 10.327 0.781 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.926 8.674 3.591 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.701 9.908 3.903 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.762 12.083 1.421 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.610 11.766 2.721 1.00 0.00 H new ATOM 1166 N ALA A 75 -9.040 9.721 -0.153 1.00 0.00 N ATOM 1167 CA ALA A 75 -10.103 10.491 -0.753 1.00 0.00 C ATOM 1168 C ALA A 75 -11.082 10.969 0.300 1.00 0.00 C ATOM 1169 O ALA A 75 -11.225 12.183 0.460 1.00 0.00 O ATOM 1170 CB ALA A 75 -10.794 9.743 -1.901 1.00 0.00 C ATOM 0 H ALA A 75 -8.980 8.773 -0.526 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.653 11.374 -1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.585 10.366 -2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.064 9.516 -2.678 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.224 8.815 -1.524 1.00 0.00 H new ATOM 1176 N ALA A 76 -11.729 10.036 0.997 1.00 0.00 N ATOM 1177 CA ALA A 76 -12.761 10.333 1.970 1.00 0.00 C ATOM 1178 C ALA A 76 -12.215 11.227 3.075 1.00 0.00 C ATOM 1179 O ALA A 76 -12.894 12.166 3.485 1.00 0.00 O ATOM 1180 CB ALA A 76 -13.320 9.025 2.542 1.00 0.00 C ATOM 0 H ALA A 76 -11.542 9.038 0.894 1.00 0.00 H new ATOM 0 HA ALA A 76 -13.571 10.873 1.480 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -14.096 9.250 3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -13.744 8.427 1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -12.518 8.467 3.024 1.00 0.00 H new ATOM 1186 N ASN A 77 -10.989 10.962 3.534 1.00 0.00 N ATOM 1187 CA ASN A 77 -10.402 11.700 4.625 1.00 0.00 C ATOM 1188 C ASN A 77 -9.995 13.118 4.228 1.00 0.00 C ATOM 1189 O ASN A 77 -9.918 13.978 5.103 1.00 0.00 O ATOM 1190 CB ASN A 77 -9.201 10.908 5.131 1.00 0.00 C ATOM 1191 CG ASN A 77 -9.636 9.834 6.115 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -9.724 10.060 7.314 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -9.978 8.664 5.613 1.00 0.00 N ATOM 0 H ASN A 77 -10.388 10.231 3.153 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.146 11.818 5.413 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -8.683 10.448 4.290 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.492 11.582 5.612 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.324 7.927 6.227 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.897 8.496 4.610 1.00 0.00 H new ATOM 1200 N GLY A 78 -9.736 13.405 2.944 1.00 0.00 N ATOM 1201 CA GLY A 78 -9.240 14.734 2.589 1.00 0.00 C ATOM 1202 C GLY A 78 -8.531 14.818 1.245 1.00 0.00 C ATOM 1203 O GLY A 78 -7.753 15.743 1.026 1.00 0.00 O ATOM 0 H GLY A 78 -9.857 12.760 2.163 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.079 15.429 2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.553 15.069 3.367 1.00 0.00 H new ATOM 1207 N LYS A 79 -8.823 13.920 0.306 1.00 0.00 N ATOM 1208 CA LYS A 79 -8.204 13.630 -0.957 1.00 0.00 C ATOM 1209 C LYS A 79 -6.804 14.164 -1.228 1.00 0.00 C ATOM 1210 O LYS A 79 -6.619 15.341 -1.541 1.00 0.00 O ATOM 1211 CB LYS A 79 -9.187 13.887 -2.084 1.00 0.00 C ATOM 1212 CG LYS A 79 -10.570 14.522 -1.797 1.00 0.00 C ATOM 1213 CD LYS A 79 -10.696 16.007 -2.185 1.00 0.00 C ATOM 1214 CE LYS A 79 -10.129 16.995 -1.146 1.00 0.00 C ATOM 1215 NZ LYS A 79 -8.654 17.130 -1.168 1.00 0.00 N ATOM 0 H LYS A 79 -9.617 13.297 0.451 1.00 0.00 H new ATOM 0 HA LYS A 79 -7.969 12.567 -0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.684 14.527 -2.809 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.369 12.931 -2.575 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.332 13.956 -2.333 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.787 14.420 -0.734 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.184 16.165 -3.134 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.749 16.238 -2.349 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.574 17.976 -1.315 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.437 16.673 -0.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -8.274 16.937 -0.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.253 16.451 -1.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -8.398 18.097 -1.454 1.00 0.00 H new ATOM 1229 N SER A 80 -5.868 13.232 -1.218 1.00 0.00 N ATOM 1230 CA SER A 80 -4.502 13.277 -1.724 1.00 0.00 C ATOM 1231 C SER A 80 -4.018 11.826 -1.700 1.00 0.00 C ATOM 1232 O SER A 80 -3.529 11.353 -0.677 1.00 0.00 O ATOM 1233 CB SER A 80 -3.610 14.192 -0.872 1.00 0.00 C ATOM 1234 OG SER A 80 -3.968 15.548 -1.070 1.00 0.00 O ATOM 0 H SER A 80 -6.067 12.319 -0.808 1.00 0.00 H new ATOM 0 HA SER A 80 -4.458 13.697 -2.729 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.711 13.932 0.182 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.564 14.042 -1.138 1.00 0.00 H new ATOM 0 HG SER A 80 -4.891 15.598 -1.395 1.00 0.00 H new ATOM 1240 N GLY A 81 -4.276 11.090 -2.782 1.00 0.00 N ATOM 1241 CA GLY A 81 -3.751 9.751 -3.013 1.00 0.00 C ATOM 1242 C GLY A 81 -2.406 9.873 -3.716 1.00 0.00 C ATOM 1243 O GLY A 81 -1.805 10.954 -3.730 1.00 0.00 O ATOM 0 H GLY A 81 -4.873 11.421 -3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.637 9.221 -2.068 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.445 9.172 -3.622 1.00 0.00 H new ATOM 1247 N PHE A 82 -1.944 8.772 -4.304 1.00 0.00 N ATOM 1248 CA PHE A 82 -0.919 8.794 -5.319 1.00 0.00 C ATOM 1249 C PHE A 82 -1.384 9.605 -6.523 1.00 0.00 C ATOM 1250 O PHE A 82 -2.491 10.156 -6.577 1.00 0.00 O ATOM 1251 CB PHE A 82 -0.480 7.354 -5.688 1.00 0.00 C ATOM 1252 CG PHE A 82 -1.263 6.178 -5.155 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -2.468 5.783 -5.759 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -0.719 5.408 -4.115 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -3.123 4.625 -5.307 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -1.405 4.283 -3.633 1.00 0.00 C ATOM 1257 CZ PHE A 82 -2.617 3.893 -4.218 1.00 0.00 C ATOM 0 H PHE A 82 -2.280 7.835 -4.080 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.033 9.293 -4.926 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.481 7.281 -6.776 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.553 7.234 -5.361 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.888 6.365 -6.566 1.00 0.00 H new ATOM 0 HD2 PHE A 82 0.232 5.683 -3.684 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.024 4.294 -5.801 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.998 3.716 -2.809 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.157 3.039 -3.837 1.00 0.00 H new ATOM 1267 N LYS A 83 -0.495 9.655 -7.511 1.00 0.00 N ATOM 1268 CA LYS A 83 -0.782 9.947 -8.891 1.00 0.00 C ATOM 1269 C LYS A 83 -2.163 9.384 -9.245 1.00 0.00 C ATOM 1270 O LYS A 83 -2.530 8.295 -8.815 1.00 0.00 O ATOM 1271 CB LYS A 83 0.331 9.234 -9.649 1.00 0.00 C ATOM 1272 CG LYS A 83 0.381 9.545 -11.144 1.00 0.00 C ATOM 1273 CD LYS A 83 -0.194 8.347 -11.889 1.00 0.00 C ATOM 1274 CE LYS A 83 0.828 7.197 -11.940 1.00 0.00 C ATOM 1275 NZ LYS A 83 0.306 5.945 -12.541 1.00 0.00 N ATOM 0 H LYS A 83 0.497 9.481 -7.349 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.812 11.011 -9.127 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.288 9.504 -9.203 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.211 8.159 -9.519 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.193 10.444 -11.366 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.407 9.735 -11.460 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.105 8.009 -11.396 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.470 8.640 -12.902 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.698 7.524 -12.509 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.170 6.985 -10.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.033 5.525 -13.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.060 5.274 -11.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.542 6.158 -13.105 1.00 0.00 H new