USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=23 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 HIS : no HD1:sc= -1.75 K(o=-1.7,f=-2.4!) USER MOD Set 1.2: A 47 SER OG : rot 180:sc= 0.016 USER MOD Set 2.1: A 10 TYR OH : rot -162:sc= 0.362! USER MOD Set 2.2: A 38 HIS : no HD1:sc= 1.33! C(o=1.7!,f=-8.1!) USER MOD Set 3.1: A 31 LYS NZ :NH3+ 167:sc= 2.28 (180deg=1.18) USER MOD Set 3.2: A 32 GLN : amide:sc= 1.28 K(o=3.6,f=-7.3!) USER MOD Single : A 4 LYS NZ :NH3+ 159:sc= 1.6 (180deg=0.186) USER MOD Single : A 5 ASN : amide:sc= 1.15 K(o=1.2,f=0) USER MOD Single : A 6 SER OG : rot 60:sc= 1.26 USER MOD Single : A 8 SER OG : rot 51:sc= 1.01 USER MOD Single : A 11 THR OG1 : rot -61:sc= -0.123 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -163:sc= 1.63 (180deg=1.07) USER MOD Single : A 17 LYS NZ :NH3+ 154:sc= 3.2 (180deg=1.15) USER MOD Single : A 24 ASN : amide:sc= 0.612 K(o=0.61,f=-0.076) USER MOD Single : A 25 CYS SG : rot 66:sc= -0.209 USER MOD Single : A 30 LYS NZ :NH3+ -132:sc= 0.26 (180deg=-2.3!) USER MOD Single : A 35 ASN : amide:sc= -6.48! C(o=-6.5!,f=-7.4!) USER MOD Single : A 41 SER OG : rot 107:sc= 1.25 USER MOD Single : A 43 THR OG1 : rot 162:sc= 1.16 USER MOD Single : A 49 SER OG : rot 180:sc= -0.0064 USER MOD Single : A 53 TYR OH : rot 30:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 1.16 K(o=1.2,f=-0.0022) USER MOD Single : A 59 ASN : amide:sc= 0.625 K(o=0.63,f=-2.2) USER MOD Single : A 62 SER OG : rot 51:sc= 0.739 USER MOD Single : A 68 LYS NZ :NH3+ -157:sc= -0.058 (180deg=-1.24) USER MOD Single : A 71 LYS NZ :NH3+ -173:sc= 0.786 (180deg=0.769) USER MOD Single : A 77 ASN : amide:sc= 0.837 K(o=0.84,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -140:sc= 1.15 (180deg=-0.902!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 166:sc= 0.702 (180deg=0.309) USER MOD ----------------------------------------------------------------- ATOM 33 N LEU A 3 12.738 5.811 -1.237 1.00 0.00 N ATOM 34 CA LEU A 3 11.462 5.431 -1.788 1.00 0.00 C ATOM 35 C LEU A 3 10.646 6.656 -2.223 1.00 0.00 C ATOM 36 O LEU A 3 10.903 7.793 -1.823 1.00 0.00 O ATOM 37 CB LEU A 3 10.657 4.551 -0.801 1.00 0.00 C ATOM 38 CG LEU A 3 11.106 3.076 -0.715 1.00 0.00 C ATOM 39 CD1 LEU A 3 10.322 2.359 0.389 1.00 0.00 C ATOM 40 CD2 LEU A 3 10.895 2.317 -2.036 1.00 0.00 C ATOM 0 HA LEU A 3 11.663 4.835 -2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.725 4.993 0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.606 4.578 -1.090 1.00 0.00 H new ATOM 0 HG LEU A 3 12.173 3.083 -0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.642 1.319 0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.509 2.849 1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.256 2.399 0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.227 1.285 -1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.837 2.330 -2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.471 2.797 -2.827 1.00 0.00 H new ATOM 52 N LYS A 4 9.591 6.386 -2.995 1.00 0.00 N ATOM 53 CA LYS A 4 8.448 7.262 -3.206 1.00 0.00 C ATOM 54 C LYS A 4 8.054 7.905 -1.891 1.00 0.00 C ATOM 55 O LYS A 4 7.797 7.241 -0.891 1.00 0.00 O ATOM 56 CB LYS A 4 7.345 6.468 -3.908 1.00 0.00 C ATOM 57 CG LYS A 4 7.297 6.437 -5.445 1.00 0.00 C ATOM 58 CD LYS A 4 8.598 6.811 -6.173 1.00 0.00 C ATOM 59 CE LYS A 4 8.444 6.735 -7.693 1.00 0.00 C ATOM 60 NZ LYS A 4 7.280 7.493 -8.202 1.00 0.00 N ATOM 0 H LYS A 4 9.512 5.510 -3.511 1.00 0.00 H new ATOM 0 HA LYS A 4 8.682 8.096 -3.868 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.414 5.437 -3.562 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.389 6.858 -3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.005 5.435 -5.758 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.512 7.116 -5.777 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.896 7.820 -5.888 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.397 6.141 -5.855 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.351 7.116 -8.163 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.347 5.691 -7.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.418 7.705 -9.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.417 6.925 -8.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.186 8.382 -7.671 1.00 0.00 H new ATOM 74 N ASN A 5 8.057 9.236 -1.935 1.00 0.00 N ATOM 75 CA ASN A 5 8.138 10.121 -0.784 1.00 0.00 C ATOM 76 C ASN A 5 6.924 9.987 0.131 1.00 0.00 C ATOM 77 O ASN A 5 6.930 10.535 1.230 1.00 0.00 O ATOM 78 CB ASN A 5 8.229 11.581 -1.275 1.00 0.00 C ATOM 79 CG ASN A 5 9.569 11.935 -1.913 1.00 0.00 C ATOM 80 OD1 ASN A 5 10.410 12.565 -1.286 1.00 0.00 O ATOM 81 ND2 ASN A 5 9.798 11.595 -3.172 1.00 0.00 N ATOM 0 H ASN A 5 8.000 9.746 -2.816 1.00 0.00 H new ATOM 0 HA ASN A 5 9.024 9.842 -0.214 1.00 0.00 H new ATOM 0 HB2 ASN A 5 7.434 11.761 -1.999 1.00 0.00 H new ATOM 0 HB3 ASN A 5 8.051 12.249 -0.433 1.00 0.00 H new ATOM 0 HD21 ASN A 5 10.676 11.858 -3.620 1.00 0.00 H new ATOM 0 HD22 ASN A 5 9.097 11.070 -3.694 1.00 0.00 H new ATOM 88 N SER A 6 5.848 9.361 -0.352 1.00 0.00 N ATOM 89 CA SER A 6 4.488 9.404 0.148 1.00 0.00 C ATOM 90 C SER A 6 3.586 8.854 -0.933 1.00 0.00 C ATOM 91 O SER A 6 3.980 8.735 -2.094 1.00 0.00 O ATOM 92 CB SER A 6 4.070 10.846 0.389 1.00 0.00 C ATOM 93 OG SER A 6 4.456 11.333 1.651 1.00 0.00 O ATOM 0 H SER A 6 5.922 8.762 -1.174 1.00 0.00 H new ATOM 0 HA SER A 6 4.420 8.834 1.075 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.505 11.478 -0.385 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.987 10.924 0.293 1.00 0.00 H new ATOM 0 HG SER A 6 5.432 11.293 1.732 1.00 0.00 H new ATOM 99 N ILE A 7 2.334 8.612 -0.552 1.00 0.00 N ATOM 100 CA ILE A 7 1.329 8.007 -1.406 1.00 0.00 C ATOM 101 C ILE A 7 1.196 8.794 -2.704 1.00 0.00 C ATOM 102 O ILE A 7 1.036 8.198 -3.756 1.00 0.00 O ATOM 103 CB ILE A 7 0.013 7.860 -0.608 1.00 0.00 C ATOM 104 CG1 ILE A 7 -0.050 6.489 0.078 1.00 0.00 C ATOM 105 CG2 ILE A 7 -1.277 8.113 -1.396 1.00 0.00 C ATOM 106 CD1 ILE A 7 -0.235 5.284 -0.834 1.00 0.00 C ATOM 0 H ILE A 7 1.988 8.838 0.380 1.00 0.00 H new ATOM 0 HA ILE A 7 1.624 7.002 -1.709 1.00 0.00 H new ATOM 0 HB ILE A 7 0.053 8.661 0.130 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.869 6.349 0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.870 6.503 0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.137 7.982 -0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.271 9.130 -1.787 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.343 7.406 -2.223 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.264 4.375 -0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.170 5.385 -1.385 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.597 5.228 -1.537 1.00 0.00 H new ATOM 118 N SER A 8 1.350 10.117 -2.667 1.00 0.00 N ATOM 119 CA SER A 8 1.142 10.931 -3.870 1.00 0.00 C ATOM 120 C SER A 8 2.328 10.859 -4.844 1.00 0.00 C ATOM 121 O SER A 8 2.239 11.274 -6.006 1.00 0.00 O ATOM 122 CB SER A 8 0.744 12.349 -3.451 1.00 0.00 C ATOM 123 OG SER A 8 -0.452 12.738 -4.097 1.00 0.00 O ATOM 0 H SER A 8 1.613 10.643 -1.834 1.00 0.00 H new ATOM 0 HA SER A 8 0.316 10.521 -4.451 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.611 12.391 -2.370 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.543 13.047 -3.701 1.00 0.00 H new ATOM 0 HG SER A 8 -1.130 12.040 -3.978 1.00 0.00 H new ATOM 129 N ASP A 9 3.438 10.262 -4.419 1.00 0.00 N ATOM 130 CA ASP A 9 4.474 9.825 -5.332 1.00 0.00 C ATOM 131 C ASP A 9 4.054 8.517 -6.028 1.00 0.00 C ATOM 132 O ASP A 9 4.285 8.357 -7.225 1.00 0.00 O ATOM 133 CB ASP A 9 5.788 9.620 -4.586 1.00 0.00 C ATOM 134 CG ASP A 9 7.002 9.897 -5.468 1.00 0.00 C ATOM 135 OD1 ASP A 9 6.884 9.817 -6.718 1.00 0.00 O ATOM 136 OD2 ASP A 9 8.052 10.195 -4.860 1.00 0.00 O ATOM 0 H ASP A 9 3.638 10.071 -3.437 1.00 0.00 H new ATOM 0 HA ASP A 9 4.617 10.597 -6.088 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.816 10.276 -3.716 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.837 8.596 -4.215 1.00 0.00 H new ATOM 141 N TYR A 10 3.402 7.623 -5.279 1.00 0.00 N ATOM 142 CA TYR A 10 3.189 6.189 -5.492 1.00 0.00 C ATOM 143 C TYR A 10 2.010 5.853 -6.401 1.00 0.00 C ATOM 144 O TYR A 10 1.060 5.206 -5.984 1.00 0.00 O ATOM 145 CB TYR A 10 2.943 5.555 -4.116 1.00 0.00 C ATOM 146 CG TYR A 10 4.133 4.937 -3.484 1.00 0.00 C ATOM 147 CD1 TYR A 10 4.612 3.747 -4.037 1.00 0.00 C ATOM 148 CD2 TYR A 10 4.674 5.465 -2.313 1.00 0.00 C ATOM 149 CE1 TYR A 10 5.677 3.060 -3.438 1.00 0.00 C ATOM 150 CE2 TYR A 10 5.780 4.820 -1.743 1.00 0.00 C ATOM 151 CZ TYR A 10 6.268 3.604 -2.277 1.00 0.00 C ATOM 152 OH TYR A 10 7.320 2.982 -1.694 1.00 0.00 O ATOM 0 H TYR A 10 2.960 7.922 -4.409 1.00 0.00 H new ATOM 0 HA TYR A 10 4.075 5.800 -5.994 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.552 6.320 -3.446 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.169 4.794 -4.217 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.158 3.353 -4.934 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.252 6.348 -1.857 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.038 2.132 -3.857 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.267 5.257 -0.884 1.00 0.00 H new ATOM 0 HH TYR A 10 7.428 3.311 -0.777 1.00 0.00 H new ATOM 162 N THR A 11 2.071 6.294 -7.645 1.00 0.00 N ATOM 163 CA THR A 11 1.217 5.897 -8.762 1.00 0.00 C ATOM 164 C THR A 11 0.658 4.501 -8.522 1.00 0.00 C ATOM 165 O THR A 11 1.354 3.598 -8.055 1.00 0.00 O ATOM 166 CB THR A 11 1.941 5.877 -10.122 1.00 0.00 C ATOM 167 OG1 THR A 11 2.982 4.945 -10.112 1.00 0.00 O ATOM 168 CG2 THR A 11 2.594 7.168 -10.596 1.00 0.00 C ATOM 0 H THR A 11 2.765 6.987 -7.926 1.00 0.00 H new ATOM 0 HA THR A 11 0.430 6.650 -8.807 1.00 0.00 H new ATOM 0 HB THR A 11 1.117 5.650 -10.799 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.634 5.190 -9.422 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.064 7.003 -11.566 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.837 7.947 -10.687 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.350 7.480 -9.875 1.00 0.00 H new ATOM 176 N GLU A 12 -0.600 4.333 -8.866 1.00 0.00 N ATOM 177 CA GLU A 12 -1.352 3.099 -8.589 1.00 0.00 C ATOM 178 C GLU A 12 -0.587 1.811 -8.973 1.00 0.00 C ATOM 179 O GLU A 12 -0.755 0.770 -8.327 1.00 0.00 O ATOM 180 CB GLU A 12 -2.772 3.151 -9.183 1.00 0.00 C ATOM 181 CG GLU A 12 -3.641 4.083 -8.328 1.00 0.00 C ATOM 182 CD GLU A 12 -5.163 4.078 -8.536 1.00 0.00 C ATOM 183 OE1 GLU A 12 -5.781 2.998 -8.659 1.00 0.00 O ATOM 184 OE2 GLU A 12 -5.790 5.150 -8.366 1.00 0.00 O ATOM 0 H GLU A 12 -1.146 5.046 -9.350 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.462 3.047 -7.506 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.736 3.509 -10.212 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.206 2.151 -9.209 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.451 3.843 -7.282 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.290 5.102 -8.490 1.00 0.00 H new ATOM 191 N THR A 13 0.292 1.871 -9.980 1.00 0.00 N ATOM 192 CA THR A 13 1.171 0.769 -10.360 1.00 0.00 C ATOM 193 C THR A 13 2.442 0.696 -9.486 1.00 0.00 C ATOM 194 O THR A 13 2.846 -0.409 -9.132 1.00 0.00 O ATOM 195 CB THR A 13 1.517 0.898 -11.855 1.00 0.00 C ATOM 196 OG1 THR A 13 0.336 1.108 -12.611 1.00 0.00 O ATOM 197 CG2 THR A 13 2.198 -0.353 -12.415 1.00 0.00 C ATOM 0 H THR A 13 0.411 2.701 -10.560 1.00 0.00 H new ATOM 0 HA THR A 13 0.643 -0.169 -10.189 1.00 0.00 H new ATOM 0 HB THR A 13 2.203 1.741 -11.935 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.566 1.191 -13.560 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.418 -0.205 -13.472 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.126 -0.536 -11.873 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.535 -1.211 -12.299 1.00 0.00 H new ATOM 205 N GLU A 14 3.093 1.802 -9.098 1.00 0.00 N ATOM 206 CA GLU A 14 4.228 1.745 -8.186 1.00 0.00 C ATOM 207 C GLU A 14 3.808 1.233 -6.810 1.00 0.00 C ATOM 208 O GLU A 14 4.540 0.435 -6.221 1.00 0.00 O ATOM 209 CB GLU A 14 4.853 3.134 -8.068 1.00 0.00 C ATOM 210 CG GLU A 14 5.497 3.532 -9.403 1.00 0.00 C ATOM 211 CD GLU A 14 5.957 4.994 -9.410 1.00 0.00 C ATOM 212 OE1 GLU A 14 5.210 5.862 -8.894 1.00 0.00 O ATOM 213 OE2 GLU A 14 7.064 5.305 -9.902 1.00 0.00 O ATOM 0 H GLU A 14 2.848 2.743 -9.405 1.00 0.00 H new ATOM 0 HA GLU A 14 4.962 1.047 -8.587 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.091 3.863 -7.790 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.603 3.139 -7.277 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.350 2.883 -9.601 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.782 3.374 -10.211 1.00 0.00 H new ATOM 220 N PHE A 15 2.638 1.646 -6.298 1.00 0.00 N ATOM 221 CA PHE A 15 2.163 1.091 -5.041 1.00 0.00 C ATOM 222 C PHE A 15 1.878 -0.391 -5.222 1.00 0.00 C ATOM 223 O PHE A 15 2.292 -1.163 -4.374 1.00 0.00 O ATOM 224 CB PHE A 15 0.955 1.845 -4.474 1.00 0.00 C ATOM 225 CG PHE A 15 0.837 1.745 -2.955 1.00 0.00 C ATOM 226 CD1 PHE A 15 1.884 2.226 -2.147 1.00 0.00 C ATOM 227 CD2 PHE A 15 -0.306 1.209 -2.328 1.00 0.00 C ATOM 228 CE1 PHE A 15 1.786 2.202 -0.748 1.00 0.00 C ATOM 229 CE2 PHE A 15 -0.415 1.213 -0.922 1.00 0.00 C ATOM 230 CZ PHE A 15 0.622 1.732 -0.121 1.00 0.00 C ATOM 0 H PHE A 15 2.026 2.341 -6.726 1.00 0.00 H new ATOM 0 HA PHE A 15 2.950 1.214 -4.297 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.026 2.895 -4.757 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.045 1.453 -4.928 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.776 2.620 -2.611 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.102 0.793 -2.927 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.614 2.549 -0.148 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.303 0.814 -0.454 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.523 1.767 0.954 1.00 0.00 H new ATOM 240 N LYS A 16 1.299 -0.838 -6.345 1.00 0.00 N ATOM 241 CA LYS A 16 1.238 -2.260 -6.643 1.00 0.00 C ATOM 242 C LYS A 16 2.607 -2.871 -6.502 1.00 0.00 C ATOM 243 O LYS A 16 2.672 -3.857 -5.805 1.00 0.00 O ATOM 244 CB LYS A 16 0.774 -2.433 -8.095 1.00 0.00 C ATOM 245 CG LYS A 16 -0.379 -3.421 -8.230 1.00 0.00 C ATOM 246 CD LYS A 16 -1.654 -2.607 -8.026 1.00 0.00 C ATOM 247 CE LYS A 16 -2.061 -1.943 -9.349 1.00 0.00 C ATOM 248 NZ LYS A 16 -3.056 -0.877 -9.144 1.00 0.00 N ATOM 0 H LYS A 16 0.873 -0.236 -7.050 1.00 0.00 H new ATOM 0 HA LYS A 16 0.549 -2.748 -5.954 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.466 -1.465 -8.492 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.613 -2.774 -8.702 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.372 -3.897 -9.210 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.301 -4.216 -7.489 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.457 -3.253 -7.670 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.494 -1.847 -7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.178 -1.527 -9.833 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.469 -2.696 -10.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.516 -0.652 -10.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.773 -1.198 -8.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.583 -0.027 -8.775 1.00 0.00 H new ATOM 262 N LYS A 17 3.687 -2.330 -7.072 1.00 0.00 N ATOM 263 CA LYS A 17 4.954 -3.024 -7.020 1.00 0.00 C ATOM 264 C LYS A 17 5.349 -3.300 -5.567 1.00 0.00 C ATOM 265 O LYS A 17 5.852 -4.391 -5.322 1.00 0.00 O ATOM 266 CB LYS A 17 6.007 -2.210 -7.789 1.00 0.00 C ATOM 267 CG LYS A 17 6.938 -2.963 -8.765 1.00 0.00 C ATOM 268 CD LYS A 17 7.138 -4.485 -8.624 1.00 0.00 C ATOM 269 CE LYS A 17 7.948 -4.943 -7.401 1.00 0.00 C ATOM 270 NZ LYS A 17 7.396 -6.174 -6.798 1.00 0.00 N ATOM 0 H LYS A 17 3.701 -1.435 -7.561 1.00 0.00 H new ATOM 0 HA LYS A 17 4.876 -3.997 -7.505 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.484 -1.439 -8.355 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.633 -1.699 -7.057 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.568 -2.777 -9.773 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.922 -2.500 -8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.157 -4.959 -8.585 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.634 -4.852 -9.523 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.983 -5.117 -7.696 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.959 -4.148 -6.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.152 -6.686 -6.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.646 -5.924 -6.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.001 -6.780 -7.545 1.00 0.00 H new ATOM 284 N ILE A 18 5.095 -2.390 -4.617 1.00 0.00 N ATOM 285 CA ILE A 18 5.320 -2.695 -3.197 1.00 0.00 C ATOM 286 C ILE A 18 4.364 -3.780 -2.702 1.00 0.00 C ATOM 287 O ILE A 18 4.788 -4.793 -2.152 1.00 0.00 O ATOM 288 CB ILE A 18 5.328 -1.411 -2.337 1.00 0.00 C ATOM 289 CG1 ILE A 18 6.555 -1.581 -1.413 1.00 0.00 C ATOM 290 CG2 ILE A 18 4.069 -0.969 -1.569 1.00 0.00 C ATOM 291 CD1 ILE A 18 6.693 -0.549 -0.311 1.00 0.00 C ATOM 0 H ILE A 18 4.740 -1.452 -4.801 1.00 0.00 H new ATOM 0 HA ILE A 18 6.318 -3.119 -3.086 1.00 0.00 H new ATOM 0 HB ILE A 18 5.365 -0.571 -3.031 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.509 -2.570 -0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.456 -1.554 -2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.278 -0.047 -1.027 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.254 -0.800 -2.273 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.782 -1.748 -0.862 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.586 -0.762 0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.777 0.445 -0.751 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.816 -0.587 0.335 1.00 0.00 H new ATOM 303 N ILE A 19 3.078 -3.558 -2.943 1.00 0.00 N ATOM 304 CA ILE A 19 1.958 -4.363 -2.464 1.00 0.00 C ATOM 305 C ILE A 19 1.981 -5.800 -3.038 1.00 0.00 C ATOM 306 O ILE A 19 1.463 -6.745 -2.450 1.00 0.00 O ATOM 307 CB ILE A 19 0.657 -3.574 -2.759 1.00 0.00 C ATOM 308 CG1 ILE A 19 0.553 -2.249 -1.974 1.00 0.00 C ATOM 309 CG2 ILE A 19 -0.642 -4.330 -2.498 1.00 0.00 C ATOM 310 CD1 ILE A 19 0.676 -2.355 -0.461 1.00 0.00 C ATOM 0 H ILE A 19 2.770 -2.768 -3.509 1.00 0.00 H new ATOM 0 HA ILE A 19 2.028 -4.523 -1.388 1.00 0.00 H new ATOM 0 HB ILE A 19 0.755 -3.394 -3.830 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.330 -1.575 -2.335 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.405 -1.786 -2.209 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.490 -3.688 -2.736 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.675 -5.223 -3.123 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.690 -4.620 -1.448 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.588 -1.363 -0.018 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.117 -2.996 -0.076 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.645 -2.782 -0.204 1.00 0.00 H new ATOM 322 N GLU A 20 2.615 -6.002 -4.179 1.00 0.00 N ATOM 323 CA GLU A 20 2.841 -7.220 -4.887 1.00 0.00 C ATOM 324 C GLU A 20 4.019 -7.962 -4.285 1.00 0.00 C ATOM 325 O GLU A 20 3.913 -9.156 -4.021 1.00 0.00 O ATOM 326 CB GLU A 20 3.180 -6.695 -6.281 1.00 0.00 C ATOM 327 CG GLU A 20 3.460 -7.716 -7.351 1.00 0.00 C ATOM 328 CD GLU A 20 4.355 -7.104 -8.435 1.00 0.00 C ATOM 329 OE1 GLU A 20 3.860 -6.272 -9.226 1.00 0.00 O ATOM 330 OE2 GLU A 20 5.577 -7.383 -8.390 1.00 0.00 O ATOM 0 H GLU A 20 3.027 -5.214 -4.678 1.00 0.00 H new ATOM 0 HA GLU A 20 2.008 -7.922 -4.868 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.352 -6.071 -6.618 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.053 -6.047 -6.195 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.947 -8.588 -6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.524 -8.060 -7.791 1.00 0.00 H new ATOM 337 N ASP A 21 5.125 -7.244 -4.085 1.00 0.00 N ATOM 338 CA ASP A 21 6.368 -7.740 -3.474 1.00 0.00 C ATOM 339 C ASP A 21 6.026 -8.571 -2.245 1.00 0.00 C ATOM 340 O ASP A 21 6.435 -9.724 -2.129 1.00 0.00 O ATOM 341 CB ASP A 21 7.268 -6.549 -3.079 1.00 0.00 C ATOM 342 CG ASP A 21 8.724 -6.711 -3.486 1.00 0.00 C ATOM 343 OD1 ASP A 21 8.959 -6.863 -4.709 1.00 0.00 O ATOM 344 OD2 ASP A 21 9.584 -6.536 -2.594 1.00 0.00 O ATOM 0 H ASP A 21 5.186 -6.262 -4.353 1.00 0.00 H new ATOM 0 HA ASP A 21 6.906 -8.362 -4.190 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.873 -5.641 -3.536 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.217 -6.411 -1.999 1.00 0.00 H new ATOM 349 N ILE A 22 5.191 -7.995 -1.383 1.00 0.00 N ATOM 350 CA ILE A 22 4.697 -8.609 -0.169 1.00 0.00 C ATOM 351 C ILE A 22 3.743 -9.776 -0.397 1.00 0.00 C ATOM 352 O ILE A 22 3.940 -10.837 0.187 1.00 0.00 O ATOM 353 CB ILE A 22 4.035 -7.545 0.712 1.00 0.00 C ATOM 354 CG1 ILE A 22 2.945 -6.663 0.098 1.00 0.00 C ATOM 355 CG2 ILE A 22 5.146 -6.650 1.276 1.00 0.00 C ATOM 356 CD1 ILE A 22 2.448 -5.492 0.948 1.00 0.00 C ATOM 0 H ILE A 22 4.831 -7.051 -1.523 1.00 0.00 H new ATOM 0 HA ILE A 22 5.565 -9.037 0.332 1.00 0.00 H new ATOM 0 HB ILE A 22 3.488 -8.117 1.461 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.321 -6.264 -0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.091 -7.296 -0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.706 -5.880 1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.836 -7.254 1.865 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.686 -6.179 0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.679 -4.946 0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.031 -5.871 1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.280 -4.823 1.168 1.00 0.00 H new ATOM 368 N ILE A 23 2.673 -9.560 -1.155 1.00 0.00 N ATOM 369 CA ILE A 23 1.635 -10.576 -1.373 1.00 0.00 C ATOM 370 C ILE A 23 2.217 -11.868 -1.981 1.00 0.00 C ATOM 371 O ILE A 23 1.800 -12.957 -1.589 1.00 0.00 O ATOM 372 CB ILE A 23 0.470 -9.977 -2.200 1.00 0.00 C ATOM 373 CG1 ILE A 23 -0.382 -8.988 -1.363 1.00 0.00 C ATOM 374 CG2 ILE A 23 -0.455 -11.034 -2.832 1.00 0.00 C ATOM 375 CD1 ILE A 23 -1.287 -9.600 -0.283 1.00 0.00 C ATOM 0 H ILE A 23 2.496 -8.679 -1.637 1.00 0.00 H new ATOM 0 HA ILE A 23 1.224 -10.874 -0.408 1.00 0.00 H new ATOM 0 HB ILE A 23 0.959 -9.443 -3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.293 -8.281 -0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.008 -8.415 -2.047 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.245 -10.536 -3.394 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.123 -11.669 -3.503 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.899 -11.646 -2.046 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.829 -8.806 0.230 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.998 -10.283 -0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.677 -10.147 0.436 1.00 0.00 H new ATOM 387 N ASN A 24 3.156 -11.788 -2.930 1.00 0.00 N ATOM 388 CA ASN A 24 3.903 -12.895 -3.463 1.00 0.00 C ATOM 389 C ASN A 24 4.902 -13.388 -2.431 1.00 0.00 C ATOM 390 O ASN A 24 5.068 -14.589 -2.226 1.00 0.00 O ATOM 391 CB ASN A 24 4.684 -12.278 -4.605 1.00 0.00 C ATOM 392 CG ASN A 24 3.897 -12.136 -5.868 1.00 0.00 C ATOM 393 OD1 ASN A 24 3.658 -13.070 -6.622 1.00 0.00 O ATOM 394 ND2 ASN A 24 3.533 -10.909 -6.120 1.00 0.00 N ATOM 0 H ASN A 24 3.416 -10.899 -3.357 1.00 0.00 H new ATOM 0 HA ASN A 24 3.264 -13.729 -3.753 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.042 -11.295 -4.299 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.564 -12.890 -4.803 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.025 -10.694 -6.978 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.756 -10.165 -5.459 1.00 0.00 H new ATOM 401 N CYS A 25 5.564 -12.414 -1.809 1.00 0.00 N ATOM 402 CA CYS A 25 6.432 -12.518 -0.641 1.00 0.00 C ATOM 403 C CYS A 25 7.856 -12.933 -1.018 1.00 0.00 C ATOM 404 O CYS A 25 8.567 -13.516 -0.193 1.00 0.00 O ATOM 405 CB CYS A 25 5.800 -13.411 0.453 1.00 0.00 C ATOM 406 SG CYS A 25 5.793 -12.555 2.052 1.00 0.00 S ATOM 0 H CYS A 25 5.500 -11.451 -2.139 1.00 0.00 H new ATOM 0 HA CYS A 25 6.525 -11.523 -0.206 1.00 0.00 H new ATOM 0 HB2 CYS A 25 4.781 -13.674 0.171 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.358 -14.343 0.536 1.00 0.00 H new ATOM 0 HG CYS A 25 5.009 -11.520 1.987 1.00 0.00 H new ATOM 411 N GLU A 26 8.302 -12.653 -2.247 1.00 0.00 N ATOM 412 CA GLU A 26 9.615 -12.992 -2.695 1.00 0.00 C ATOM 413 C GLU A 26 10.653 -12.188 -1.899 1.00 0.00 C ATOM 414 O GLU A 26 10.448 -11.005 -1.616 1.00 0.00 O ATOM 415 CB GLU A 26 9.705 -12.804 -4.220 1.00 0.00 C ATOM 416 CG GLU A 26 11.068 -13.316 -4.684 1.00 0.00 C ATOM 417 CD GLU A 26 11.167 -13.616 -6.187 1.00 0.00 C ATOM 418 OE1 GLU A 26 10.728 -14.721 -6.581 1.00 0.00 O ATOM 419 OE2 GLU A 26 11.751 -12.784 -6.917 1.00 0.00 O ATOM 0 H GLU A 26 7.738 -12.178 -2.952 1.00 0.00 H new ATOM 0 HA GLU A 26 9.835 -14.043 -2.506 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.904 -13.350 -4.718 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.585 -11.753 -4.481 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.825 -12.576 -4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.307 -14.224 -4.130 1.00 0.00 H new ATOM 426 N GLY A 27 11.769 -12.825 -1.540 1.00 0.00 N ATOM 427 CA GLY A 27 12.917 -12.178 -0.928 1.00 0.00 C ATOM 428 C GLY A 27 13.240 -12.799 0.422 1.00 0.00 C ATOM 429 O GLY A 27 13.942 -13.807 0.481 1.00 0.00 O ATOM 0 H GLY A 27 11.897 -13.828 -1.672 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.781 -12.264 -1.587 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.715 -11.114 -0.803 1.00 0.00 H new ATOM 433 N ASP A 28 12.777 -12.169 1.499 1.00 0.00 N ATOM 434 CA ASP A 28 13.184 -12.314 2.871 1.00 0.00 C ATOM 435 C ASP A 28 12.084 -11.561 3.621 1.00 0.00 C ATOM 436 O ASP A 28 11.669 -10.482 3.204 1.00 0.00 O ATOM 437 CB ASP A 28 14.548 -11.640 3.044 1.00 0.00 C ATOM 438 CG ASP A 28 15.033 -11.735 4.483 1.00 0.00 C ATOM 439 OD1 ASP A 28 14.401 -11.112 5.355 1.00 0.00 O ATOM 440 OD2 ASP A 28 16.038 -12.418 4.782 1.00 0.00 O ATOM 0 H ASP A 28 12.033 -11.477 1.410 1.00 0.00 H new ATOM 0 HA ASP A 28 13.295 -13.341 3.219 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.275 -12.110 2.381 1.00 0.00 H new ATOM 0 HB3 ASP A 28 14.479 -10.593 2.750 1.00 0.00 H new ATOM 445 N GLU A 29 11.539 -12.159 4.663 1.00 0.00 N ATOM 446 CA GLU A 29 10.387 -11.691 5.436 1.00 0.00 C ATOM 447 C GLU A 29 10.602 -10.315 6.052 1.00 0.00 C ATOM 448 O GLU A 29 9.658 -9.539 6.167 1.00 0.00 O ATOM 449 CB GLU A 29 9.957 -12.761 6.463 1.00 0.00 C ATOM 450 CG GLU A 29 10.740 -12.857 7.792 1.00 0.00 C ATOM 451 CD GLU A 29 12.207 -13.313 7.713 1.00 0.00 C ATOM 452 OE1 GLU A 29 12.701 -13.741 6.648 1.00 0.00 O ATOM 453 OE2 GLU A 29 12.923 -13.197 8.734 1.00 0.00 O ATOM 0 H GLU A 29 11.907 -13.041 5.021 1.00 0.00 H new ATOM 0 HA GLU A 29 9.557 -11.552 4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.909 -12.586 6.706 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.013 -13.733 5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.716 -11.877 8.270 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.207 -13.545 8.449 1.00 0.00 H new ATOM 460 N LYS A 30 11.843 -9.965 6.368 1.00 0.00 N ATOM 461 CA LYS A 30 12.231 -8.675 6.896 1.00 0.00 C ATOM 462 C LYS A 30 11.949 -7.561 5.916 1.00 0.00 C ATOM 463 O LYS A 30 11.545 -6.477 6.301 1.00 0.00 O ATOM 464 CB LYS A 30 13.729 -8.745 7.191 1.00 0.00 C ATOM 465 CG LYS A 30 14.062 -9.932 8.122 1.00 0.00 C ATOM 466 CD LYS A 30 15.559 -10.265 8.207 1.00 0.00 C ATOM 467 CE LYS A 30 15.809 -11.759 8.503 1.00 0.00 C ATOM 468 NZ LYS A 30 15.277 -12.652 7.447 1.00 0.00 N ATOM 0 H LYS A 30 12.633 -10.601 6.257 1.00 0.00 H new ATOM 0 HA LYS A 30 11.655 -8.456 7.795 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.282 -8.846 6.257 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.055 -7.814 7.655 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.694 -9.708 9.123 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.524 -10.814 7.774 1.00 0.00 H new ATOM 0 HD2 LYS A 30 16.043 -9.997 7.268 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.020 -9.660 8.987 1.00 0.00 H new ATOM 0 HE2 LYS A 30 16.880 -11.929 8.610 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.349 -12.017 9.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.730 -13.420 7.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.661 -12.108 6.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 16.066 -13.055 6.903 1.00 0.00 H new ATOM 482 N LYS A 31 12.171 -7.836 4.643 1.00 0.00 N ATOM 483 CA LYS A 31 11.838 -6.995 3.527 1.00 0.00 C ATOM 484 C LYS A 31 10.327 -6.726 3.505 1.00 0.00 C ATOM 485 O LYS A 31 9.884 -5.648 3.128 1.00 0.00 O ATOM 486 CB LYS A 31 12.369 -7.719 2.285 1.00 0.00 C ATOM 487 CG LYS A 31 12.926 -6.814 1.187 1.00 0.00 C ATOM 488 CD LYS A 31 11.984 -6.533 0.008 1.00 0.00 C ATOM 489 CE LYS A 31 10.913 -5.485 0.330 1.00 0.00 C ATOM 490 NZ LYS A 31 9.553 -6.005 0.080 1.00 0.00 N ATOM 0 H LYS A 31 12.616 -8.707 4.353 1.00 0.00 H new ATOM 0 HA LYS A 31 12.293 -6.006 3.581 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.153 -8.410 2.595 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.563 -8.320 1.863 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.208 -5.862 1.636 1.00 0.00 H new ATOM 0 HG3 LYS A 31 13.838 -7.266 0.798 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.571 -6.193 -0.845 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.497 -7.462 -0.289 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.001 -5.182 1.373 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.080 -4.595 -0.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.853 -5.366 0.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.387 -6.064 -0.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.461 -6.952 0.500 1.00 0.00 H new ATOM 504 N GLN A 32 9.497 -7.694 3.880 1.00 0.00 N ATOM 505 CA GLN A 32 8.060 -7.533 3.883 1.00 0.00 C ATOM 506 C GLN A 32 7.630 -6.763 5.129 1.00 0.00 C ATOM 507 O GLN A 32 6.717 -5.953 5.022 1.00 0.00 O ATOM 508 CB GLN A 32 7.417 -8.920 3.765 1.00 0.00 C ATOM 509 CG GLN A 32 8.296 -9.914 2.978 1.00 0.00 C ATOM 510 CD GLN A 32 8.583 -9.603 1.511 1.00 0.00 C ATOM 511 OE1 GLN A 32 8.598 -8.454 1.069 1.00 0.00 O ATOM 512 NE2 GLN A 32 8.932 -10.629 0.760 1.00 0.00 N ATOM 0 H GLN A 32 9.811 -8.614 4.191 1.00 0.00 H new ATOM 0 HA GLN A 32 7.722 -6.942 3.032 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.230 -9.316 4.763 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.449 -8.827 3.273 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.252 -9.999 3.496 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.820 -10.893 3.026 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.913 -11.573 1.145 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.221 -10.479 -0.206 1.00 0.00 H new ATOM 521 N ASP A 33 8.311 -6.953 6.267 1.00 0.00 N ATOM 522 CA ASP A 33 8.162 -6.069 7.449 1.00 0.00 C ATOM 523 C ASP A 33 8.535 -4.619 7.118 1.00 0.00 C ATOM 524 O ASP A 33 7.855 -3.678 7.521 1.00 0.00 O ATOM 525 CB ASP A 33 9.070 -6.560 8.589 1.00 0.00 C ATOM 526 CG ASP A 33 8.608 -6.111 9.981 1.00 0.00 C ATOM 527 OD1 ASP A 33 7.399 -6.255 10.271 1.00 0.00 O ATOM 528 OD2 ASP A 33 9.492 -5.735 10.786 1.00 0.00 O ATOM 0 H ASP A 33 8.977 -7.714 6.402 1.00 0.00 H new ATOM 0 HA ASP A 33 7.116 -6.103 7.753 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.114 -7.649 8.564 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.083 -6.196 8.417 1.00 0.00 H new ATOM 533 N ASP A 34 9.591 -4.452 6.321 1.00 0.00 N ATOM 534 CA ASP A 34 10.114 -3.178 5.819 1.00 0.00 C ATOM 535 C ASP A 34 9.053 -2.467 4.983 1.00 0.00 C ATOM 536 O ASP A 34 8.690 -1.322 5.266 1.00 0.00 O ATOM 537 CB ASP A 34 11.426 -3.406 5.037 1.00 0.00 C ATOM 538 CG ASP A 34 11.669 -2.490 3.824 1.00 0.00 C ATOM 539 OD1 ASP A 34 12.267 -1.409 4.015 1.00 0.00 O ATOM 540 OD2 ASP A 34 11.367 -2.937 2.689 1.00 0.00 O ATOM 0 H ASP A 34 10.137 -5.247 5.989 1.00 0.00 H new ATOM 0 HA ASP A 34 10.353 -2.527 6.660 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.261 -3.286 5.728 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.443 -4.440 4.693 1.00 0.00 H new ATOM 545 N ASN A 35 8.464 -3.191 4.022 1.00 0.00 N ATOM 546 CA ASN A 35 7.236 -2.740 3.373 1.00 0.00 C ATOM 547 C ASN A 35 6.188 -2.390 4.410 1.00 0.00 C ATOM 548 O ASN A 35 5.475 -1.426 4.202 1.00 0.00 O ATOM 549 CB ASN A 35 6.624 -3.775 2.408 1.00 0.00 C ATOM 550 CG ASN A 35 5.149 -3.461 2.115 1.00 0.00 C ATOM 551 OD1 ASN A 35 4.835 -2.849 1.107 1.00 0.00 O ATOM 552 ND2 ASN A 35 4.210 -3.872 2.963 1.00 0.00 N ATOM 0 H ASN A 35 8.819 -4.085 3.682 1.00 0.00 H new ATOM 0 HA ASN A 35 7.525 -1.867 2.787 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.188 -3.784 1.475 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.707 -4.772 2.840 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.228 -3.676 2.771 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.472 -4.384 3.806 1.00 0.00 H new ATOM 559 N LEU A 36 5.959 -3.225 5.419 1.00 0.00 N ATOM 560 CA LEU A 36 4.773 -3.142 6.234 1.00 0.00 C ATOM 561 C LEU A 36 4.720 -1.871 7.063 1.00 0.00 C ATOM 562 O LEU A 36 3.687 -1.204 7.062 1.00 0.00 O ATOM 563 CB LEU A 36 4.602 -4.484 6.962 1.00 0.00 C ATOM 564 CG LEU A 36 3.710 -5.463 6.184 1.00 0.00 C ATOM 565 CD1 LEU A 36 3.657 -6.801 6.922 1.00 0.00 C ATOM 566 CD2 LEU A 36 2.284 -4.960 5.914 1.00 0.00 C ATOM 0 H LEU A 36 6.596 -3.975 5.687 1.00 0.00 H new ATOM 0 HA LEU A 36 3.874 -3.017 5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.581 -4.936 7.120 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.170 -4.307 7.947 1.00 0.00 H new ATOM 0 HG LEU A 36 4.171 -5.571 5.202 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.024 -7.496 6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.663 -7.212 7.003 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.246 -6.650 7.920 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.730 -5.718 5.360 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.782 -4.763 6.861 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.327 -4.042 5.329 1.00 0.00 H new ATOM 578 N GLU A 37 5.846 -1.454 7.623 1.00 0.00 N ATOM 579 CA GLU A 37 5.998 -0.102 8.179 1.00 0.00 C ATOM 580 C GLU A 37 5.691 0.906 7.085 1.00 0.00 C ATOM 581 O GLU A 37 4.843 1.777 7.272 1.00 0.00 O ATOM 582 CB GLU A 37 7.405 0.145 8.758 1.00 0.00 C ATOM 583 CG GLU A 37 7.535 1.453 9.580 1.00 0.00 C ATOM 584 CD GLU A 37 7.410 2.793 8.817 1.00 0.00 C ATOM 585 OE1 GLU A 37 7.932 2.919 7.688 1.00 0.00 O ATOM 586 OE2 GLU A 37 6.821 3.741 9.392 1.00 0.00 O ATOM 0 H GLU A 37 6.681 -2.034 7.708 1.00 0.00 H new ATOM 0 HA GLU A 37 5.300 0.008 9.009 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.677 -0.698 9.393 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.123 0.172 7.938 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.773 1.437 10.359 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.503 1.440 10.081 1.00 0.00 H new ATOM 593 N HIS A 38 6.333 0.765 5.926 1.00 0.00 N ATOM 594 CA HIS A 38 6.202 1.735 4.864 1.00 0.00 C ATOM 595 C HIS A 38 4.737 1.919 4.443 1.00 0.00 C ATOM 596 O HIS A 38 4.290 3.054 4.315 1.00 0.00 O ATOM 597 CB HIS A 38 7.100 1.332 3.695 1.00 0.00 C ATOM 598 CG HIS A 38 7.163 2.428 2.685 1.00 0.00 C ATOM 599 ND1 HIS A 38 7.712 3.670 2.900 1.00 0.00 N ATOM 600 CD2 HIS A 38 6.518 2.436 1.483 1.00 0.00 C ATOM 601 CE1 HIS A 38 7.405 4.423 1.835 1.00 0.00 C ATOM 602 NE2 HIS A 38 6.705 3.707 0.942 1.00 0.00 N ATOM 0 H HIS A 38 6.949 -0.018 5.708 1.00 0.00 H new ATOM 0 HA HIS A 38 6.531 2.709 5.227 1.00 0.00 H new ATOM 0 HB2 HIS A 38 8.102 1.107 4.059 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.717 0.423 3.231 1.00 0.00 H new ATOM 0 HD2 HIS A 38 5.970 1.618 1.038 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.682 5.460 1.713 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.371 4.033 0.035 1.00 0.00 H new ATOM 610 N PHE A 39 3.998 0.821 4.279 1.00 0.00 N ATOM 611 CA PHE A 39 2.569 0.641 4.001 1.00 0.00 C ATOM 612 C PHE A 39 1.669 1.184 5.120 1.00 0.00 C ATOM 613 O PHE A 39 0.483 1.418 4.879 1.00 0.00 O ATOM 614 CB PHE A 39 2.329 -0.866 3.808 1.00 0.00 C ATOM 615 CG PHE A 39 0.888 -1.275 3.556 1.00 0.00 C ATOM 616 CD1 PHE A 39 0.250 -0.836 2.387 1.00 0.00 C ATOM 617 CD2 PHE A 39 0.198 -2.120 4.445 1.00 0.00 C ATOM 618 CE1 PHE A 39 -1.062 -1.241 2.077 1.00 0.00 C ATOM 619 CE2 PHE A 39 -1.116 -2.522 4.139 1.00 0.00 C ATOM 620 CZ PHE A 39 -1.752 -2.067 2.977 1.00 0.00 C ATOM 0 H PHE A 39 4.451 -0.090 4.348 1.00 0.00 H new ATOM 0 HA PHE A 39 2.308 1.208 3.108 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.937 -1.208 2.970 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.686 -1.389 4.695 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.775 -0.175 1.713 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.673 -2.457 5.355 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.531 -0.920 1.159 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.640 -3.189 4.808 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.774 -2.352 2.774 1.00 0.00 H new ATOM 630 N ILE A 40 2.182 1.442 6.320 1.00 0.00 N ATOM 631 CA ILE A 40 1.517 2.363 7.251 1.00 0.00 C ATOM 632 C ILE A 40 1.911 3.793 6.918 1.00 0.00 C ATOM 633 O ILE A 40 1.043 4.665 6.868 1.00 0.00 O ATOM 634 CB ILE A 40 1.862 2.088 8.751 1.00 0.00 C ATOM 635 CG1 ILE A 40 0.973 0.979 9.335 1.00 0.00 C ATOM 636 CG2 ILE A 40 1.658 3.300 9.691 1.00 0.00 C ATOM 637 CD1 ILE A 40 1.449 -0.370 8.842 1.00 0.00 C ATOM 0 H ILE A 40 3.047 1.033 6.673 1.00 0.00 H new ATOM 0 HA ILE A 40 0.446 2.205 7.129 1.00 0.00 H new ATOM 0 HB ILE A 40 2.918 1.819 8.719 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.004 1.010 10.424 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.064 1.139 9.041 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.921 3.018 10.710 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.294 4.123 9.366 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.615 3.613 9.659 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.816 -1.154 9.258 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.395 -0.400 7.754 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.480 -0.530 9.158 1.00 0.00 H new ATOM 649 N SER A 41 3.197 4.049 6.703 1.00 0.00 N ATOM 650 CA SER A 41 3.749 5.369 6.843 1.00 0.00 C ATOM 651 C SER A 41 3.340 6.306 5.699 1.00 0.00 C ATOM 652 O SER A 41 2.761 7.375 5.897 1.00 0.00 O ATOM 653 CB SER A 41 5.266 5.245 7.023 1.00 0.00 C ATOM 654 OG SER A 41 5.688 5.786 8.256 1.00 0.00 O ATOM 0 H SER A 41 3.876 3.340 6.427 1.00 0.00 H new ATOM 0 HA SER A 41 3.334 5.845 7.731 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.555 4.196 6.967 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.773 5.759 6.207 1.00 0.00 H new ATOM 0 HG SER A 41 5.931 5.059 8.866 1.00 0.00 H new ATOM 660 N VAL A 42 3.623 5.868 4.473 1.00 0.00 N ATOM 661 CA VAL A 42 3.268 6.466 3.185 1.00 0.00 C ATOM 662 C VAL A 42 1.763 6.764 3.124 1.00 0.00 C ATOM 663 O VAL A 42 1.329 7.788 2.570 1.00 0.00 O ATOM 664 CB VAL A 42 3.812 5.481 2.162 1.00 0.00 C ATOM 665 CG1 VAL A 42 3.030 4.203 1.902 1.00 0.00 C ATOM 666 CG2 VAL A 42 4.054 6.081 0.819 1.00 0.00 C ATOM 0 H VAL A 42 4.155 5.007 4.344 1.00 0.00 H new ATOM 0 HA VAL A 42 3.701 7.448 2.994 1.00 0.00 H new ATOM 0 HB VAL A 42 4.732 5.209 2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.546 3.607 1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.951 3.630 2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.031 4.454 1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.441 5.318 0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.118 6.475 0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.780 6.889 0.907 1.00 0.00 H new ATOM 676 N THR A 43 0.978 5.849 3.683 1.00 0.00 N ATOM 677 CA THR A 43 -0.460 5.746 3.643 1.00 0.00 C ATOM 678 C THR A 43 -1.135 6.582 4.720 1.00 0.00 C ATOM 679 O THR A 43 -2.183 7.148 4.450 1.00 0.00 O ATOM 680 CB THR A 43 -0.837 4.260 3.709 1.00 0.00 C ATOM 681 OG1 THR A 43 0.265 3.443 3.394 1.00 0.00 O ATOM 682 CG2 THR A 43 -1.846 3.871 2.653 1.00 0.00 C ATOM 0 H THR A 43 1.384 5.088 4.228 1.00 0.00 H new ATOM 0 HA THR A 43 -0.830 6.164 2.707 1.00 0.00 H new ATOM 0 HB THR A 43 -1.216 4.123 4.722 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.097 2.531 3.711 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.078 2.810 2.744 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.757 4.454 2.788 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.432 4.068 1.664 1.00 0.00 H new ATOM 690 N GLU A 44 -0.591 6.669 5.929 1.00 0.00 N ATOM 691 CA GLU A 44 -1.276 7.135 7.135 1.00 0.00 C ATOM 692 C GLU A 44 -2.546 6.309 7.426 1.00 0.00 C ATOM 693 O GLU A 44 -3.272 6.659 8.352 1.00 0.00 O ATOM 694 CB GLU A 44 -1.598 8.649 7.068 1.00 0.00 C ATOM 695 CG GLU A 44 -0.400 9.583 6.833 1.00 0.00 C ATOM 696 CD GLU A 44 -0.886 10.993 6.485 1.00 0.00 C ATOM 697 OE1 GLU A 44 -1.459 11.714 7.332 1.00 0.00 O ATOM 698 OE2 GLU A 44 -0.839 11.388 5.290 1.00 0.00 O ATOM 0 H GLU A 44 0.379 6.407 6.105 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.587 6.984 7.966 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.322 8.811 6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.082 8.939 8.001 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.225 9.616 7.726 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.220 9.195 6.025 1.00 0.00 H new ATOM 705 N HIS A 45 -2.840 5.255 6.645 1.00 0.00 N ATOM 706 CA HIS A 45 -4.072 4.471 6.747 1.00 0.00 C ATOM 707 C HIS A 45 -3.964 3.679 8.064 1.00 0.00 C ATOM 708 O HIS A 45 -3.161 2.751 8.123 1.00 0.00 O ATOM 709 CB HIS A 45 -4.342 3.575 5.503 1.00 0.00 C ATOM 710 CG HIS A 45 -5.668 2.813 5.605 1.00 0.00 C ATOM 711 ND1 HIS A 45 -5.994 2.020 6.687 1.00 0.00 N ATOM 712 CD2 HIS A 45 -6.764 2.787 4.752 1.00 0.00 C ATOM 713 CE1 HIS A 45 -7.268 1.624 6.563 1.00 0.00 C ATOM 714 NE2 HIS A 45 -7.778 2.087 5.415 1.00 0.00 N ATOM 0 H HIS A 45 -2.213 4.922 5.913 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.944 5.125 6.763 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.352 4.196 4.607 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.525 2.862 5.388 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.822 3.224 3.766 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.803 1.021 7.282 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.733 1.954 5.084 1.00 0.00 H new ATOM 722 N PRO A 46 -4.745 4.003 9.112 1.00 0.00 N ATOM 723 CA PRO A 46 -4.473 3.615 10.493 1.00 0.00 C ATOM 724 C PRO A 46 -4.399 2.104 10.707 1.00 0.00 C ATOM 725 O PRO A 46 -3.559 1.639 11.469 1.00 0.00 O ATOM 726 CB PRO A 46 -5.577 4.265 11.344 1.00 0.00 C ATOM 727 CG PRO A 46 -6.614 4.795 10.348 1.00 0.00 C ATOM 728 CD PRO A 46 -5.834 4.947 9.063 1.00 0.00 C ATOM 0 HA PRO A 46 -3.482 3.963 10.785 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.023 3.540 12.025 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.175 5.072 11.956 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.447 4.102 10.231 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.034 5.746 10.676 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.472 4.754 8.200 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.457 5.964 8.960 1.00 0.00 H new ATOM 736 N SER A 47 -5.276 1.356 10.042 1.00 0.00 N ATOM 737 CA SER A 47 -5.354 -0.097 10.091 1.00 0.00 C ATOM 738 C SER A 47 -4.098 -0.780 9.520 1.00 0.00 C ATOM 739 O SER A 47 -3.786 -1.905 9.898 1.00 0.00 O ATOM 740 CB SER A 47 -6.606 -0.469 9.290 1.00 0.00 C ATOM 741 OG SER A 47 -7.712 0.329 9.691 1.00 0.00 O ATOM 0 H SER A 47 -5.981 1.766 9.429 1.00 0.00 H new ATOM 0 HA SER A 47 -5.412 -0.444 11.123 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.418 -0.330 8.225 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.839 -1.524 9.438 1.00 0.00 H new ATOM 0 HG SER A 47 -8.502 0.079 9.168 1.00 0.00 H new ATOM 747 N GLY A 48 -3.352 -0.107 8.632 1.00 0.00 N ATOM 748 CA GLY A 48 -2.164 -0.656 8.000 1.00 0.00 C ATOM 749 C GLY A 48 -2.402 -2.059 7.461 1.00 0.00 C ATOM 750 O GLY A 48 -3.300 -2.306 6.654 1.00 0.00 O ATOM 0 H GLY A 48 -3.567 0.845 8.335 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.852 -0.003 7.185 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.347 -0.678 8.721 1.00 0.00 H new ATOM 754 N SER A 49 -1.571 -2.962 7.957 1.00 0.00 N ATOM 755 CA SER A 49 -1.470 -4.375 7.638 1.00 0.00 C ATOM 756 C SER A 49 -2.772 -5.165 7.818 1.00 0.00 C ATOM 757 O SER A 49 -2.859 -6.281 7.304 1.00 0.00 O ATOM 758 CB SER A 49 -0.379 -4.989 8.534 1.00 0.00 C ATOM 759 OG SER A 49 0.625 -4.043 8.888 1.00 0.00 O ATOM 0 H SER A 49 -0.884 -2.696 8.662 1.00 0.00 H new ATOM 0 HA SER A 49 -1.228 -4.443 6.577 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.837 -5.386 9.440 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.083 -5.829 8.016 1.00 0.00 H new ATOM 0 HG SER A 49 1.295 -4.475 9.458 1.00 0.00 H new ATOM 765 N ASP A 50 -3.787 -4.625 8.498 1.00 0.00 N ATOM 766 CA ASP A 50 -5.105 -5.208 8.609 1.00 0.00 C ATOM 767 C ASP A 50 -5.662 -5.466 7.217 1.00 0.00 C ATOM 768 O ASP A 50 -6.214 -6.533 6.974 1.00 0.00 O ATOM 769 CB ASP A 50 -6.010 -4.191 9.314 1.00 0.00 C ATOM 770 CG ASP A 50 -6.059 -4.215 10.846 1.00 0.00 C ATOM 771 OD1 ASP A 50 -5.624 -5.223 11.450 1.00 0.00 O ATOM 772 OD2 ASP A 50 -6.574 -3.214 11.403 1.00 0.00 O ATOM 0 H ASP A 50 -3.700 -3.741 8.999 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.058 -6.145 9.164 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.696 -3.194 9.005 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.025 -4.335 8.945 1.00 0.00 H new ATOM 777 N LEU A 51 -5.454 -4.550 6.264 1.00 0.00 N ATOM 778 CA LEU A 51 -6.043 -4.662 4.933 1.00 0.00 C ATOM 779 C LEU A 51 -5.391 -5.785 4.125 1.00 0.00 C ATOM 780 O LEU A 51 -5.848 -6.118 3.035 1.00 0.00 O ATOM 781 CB LEU A 51 -5.852 -3.323 4.216 1.00 0.00 C ATOM 782 CG LEU A 51 -6.884 -2.245 4.592 1.00 0.00 C ATOM 783 CD1 LEU A 51 -7.090 -2.014 6.094 1.00 0.00 C ATOM 784 CD2 LEU A 51 -6.370 -0.940 3.992 1.00 0.00 C ATOM 0 H LEU A 51 -4.877 -3.719 6.396 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.102 -4.903 5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.854 -2.946 4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.897 -3.492 3.140 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.849 -2.583 4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.837 -1.235 6.243 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.431 -2.938 6.561 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.148 -1.705 6.547 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.064 -0.133 4.227 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.390 -0.709 4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.288 -1.045 2.910 1.00 0.00 H new ATOM 796 N ILE A 52 -4.297 -6.347 4.634 1.00 0.00 N ATOM 797 CA ILE A 52 -3.494 -7.367 3.989 1.00 0.00 C ATOM 798 C ILE A 52 -3.740 -8.708 4.693 1.00 0.00 C ATOM 799 O ILE A 52 -3.756 -9.742 4.026 1.00 0.00 O ATOM 800 CB ILE A 52 -2.036 -6.877 3.987 1.00 0.00 C ATOM 801 CG1 ILE A 52 -1.885 -5.860 2.831 1.00 0.00 C ATOM 802 CG2 ILE A 52 -0.928 -7.947 3.965 1.00 0.00 C ATOM 803 CD1 ILE A 52 -0.467 -5.324 2.655 1.00 0.00 C ATOM 0 H ILE A 52 -3.935 -6.087 5.551 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.764 -7.538 2.947 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.868 -6.420 4.962 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.201 -6.333 1.901 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.559 -5.022 3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.048 -7.461 3.966 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.018 -8.582 4.846 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.029 -8.557 3.067 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.445 -4.618 1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.153 -4.820 3.569 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.211 -6.151 2.445 1.00 0.00 H new ATOM 815 N TYR A 53 -3.937 -8.712 6.020 1.00 0.00 N ATOM 816 CA TYR A 53 -4.038 -9.930 6.807 1.00 0.00 C ATOM 817 C TYR A 53 -5.458 -10.251 7.275 1.00 0.00 C ATOM 818 O TYR A 53 -5.788 -11.430 7.419 1.00 0.00 O ATOM 819 CB TYR A 53 -3.108 -9.776 8.011 1.00 0.00 C ATOM 820 CG TYR A 53 -1.623 -9.842 7.693 1.00 0.00 C ATOM 821 CD1 TYR A 53 -1.101 -10.915 6.941 1.00 0.00 C ATOM 822 CD2 TYR A 53 -0.755 -8.841 8.170 1.00 0.00 C ATOM 823 CE1 TYR A 53 0.273 -10.984 6.655 1.00 0.00 C ATOM 824 CE2 TYR A 53 0.624 -8.912 7.902 1.00 0.00 C ATOM 825 CZ TYR A 53 1.142 -9.982 7.140 1.00 0.00 C ATOM 826 OH TYR A 53 2.477 -10.049 6.886 1.00 0.00 O ATOM 0 H TYR A 53 -4.030 -7.859 6.572 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.749 -10.768 6.172 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.318 -8.821 8.493 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.344 -10.557 8.734 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.763 -11.690 6.582 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.150 -8.016 8.744 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.663 -11.801 6.066 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.287 -8.148 8.279 1.00 0.00 H new ATOM 0 HH TYR A 53 2.625 -10.505 6.031 1.00 0.00 H new ATOM 836 N TYR A 54 -6.293 -9.241 7.516 1.00 0.00 N ATOM 837 CA TYR A 54 -7.636 -9.359 8.076 1.00 0.00 C ATOM 838 C TYR A 54 -8.613 -8.500 7.246 1.00 0.00 C ATOM 839 O TYR A 54 -9.267 -7.617 7.804 1.00 0.00 O ATOM 840 CB TYR A 54 -7.595 -8.949 9.566 1.00 0.00 C ATOM 841 CG TYR A 54 -6.504 -9.600 10.407 1.00 0.00 C ATOM 842 CD1 TYR A 54 -6.336 -10.999 10.407 1.00 0.00 C ATOM 843 CD2 TYR A 54 -5.627 -8.798 11.164 1.00 0.00 C ATOM 844 CE1 TYR A 54 -5.276 -11.591 11.116 1.00 0.00 C ATOM 845 CE2 TYR A 54 -4.577 -9.382 11.894 1.00 0.00 C ATOM 846 CZ TYR A 54 -4.387 -10.780 11.858 1.00 0.00 C ATOM 847 OH TYR A 54 -3.342 -11.346 12.523 1.00 0.00 O ATOM 0 H TYR A 54 -6.038 -8.274 7.316 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.993 -10.388 8.028 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.473 -7.867 9.622 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.561 -9.184 10.014 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.027 -11.622 9.858 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.762 -7.727 11.184 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.141 -12.662 11.094 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -3.917 -8.762 12.482 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.829 -10.648 12.981 1.00 0.00 H new ATOM 857 N PRO A 55 -8.708 -8.728 5.921 1.00 0.00 N ATOM 858 CA PRO A 55 -9.378 -7.817 5.003 1.00 0.00 C ATOM 859 C PRO A 55 -10.907 -7.818 5.179 1.00 0.00 C ATOM 860 O PRO A 55 -11.501 -8.659 5.863 1.00 0.00 O ATOM 861 CB PRO A 55 -8.963 -8.308 3.624 1.00 0.00 C ATOM 862 CG PRO A 55 -8.816 -9.796 3.794 1.00 0.00 C ATOM 863 CD PRO A 55 -8.186 -9.875 5.184 1.00 0.00 C ATOM 0 HA PRO A 55 -9.093 -6.780 5.180 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.713 -8.065 2.872 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.028 -7.849 3.302 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.775 -10.312 3.747 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.179 -10.237 3.028 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.447 -10.810 5.679 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.098 -9.839 5.123 1.00 0.00 H new ATOM 871 N GLU A 56 -11.550 -6.874 4.500 1.00 0.00 N ATOM 872 CA GLU A 56 -12.926 -6.452 4.638 1.00 0.00 C ATOM 873 C GLU A 56 -13.611 -6.382 3.267 1.00 0.00 C ATOM 874 O GLU A 56 -13.188 -6.994 2.292 1.00 0.00 O ATOM 875 CB GLU A 56 -12.951 -5.088 5.366 1.00 0.00 C ATOM 876 CG GLU A 56 -12.300 -3.892 4.631 1.00 0.00 C ATOM 877 CD GLU A 56 -10.766 -3.925 4.598 1.00 0.00 C ATOM 878 OE1 GLU A 56 -10.217 -4.627 3.713 1.00 0.00 O ATOM 879 OE2 GLU A 56 -10.165 -3.244 5.451 1.00 0.00 O ATOM 0 H GLU A 56 -11.071 -6.341 3.775 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.484 -7.178 5.230 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.990 -4.833 5.575 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.453 -5.207 6.328 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.672 -3.865 3.607 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.621 -2.968 5.112 1.00 0.00 H new ATOM 886 N GLY A 57 -14.679 -5.590 3.193 1.00 0.00 N ATOM 887 CA GLY A 57 -15.195 -5.054 1.938 1.00 0.00 C ATOM 888 C GLY A 57 -15.497 -6.119 0.894 1.00 0.00 C ATOM 889 O GLY A 57 -16.156 -7.118 1.173 1.00 0.00 O ATOM 0 H GLY A 57 -15.215 -5.300 4.011 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -16.105 -4.490 2.142 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.469 -4.352 1.528 1.00 0.00 H new ATOM 893 N ASN A 58 -15.061 -5.823 -0.328 1.00 0.00 N ATOM 894 CA ASN A 58 -14.814 -6.819 -1.362 1.00 0.00 C ATOM 895 C ASN A 58 -13.294 -6.824 -1.554 1.00 0.00 C ATOM 896 O ASN A 58 -12.771 -6.908 -2.671 1.00 0.00 O ATOM 897 CB ASN A 58 -15.605 -6.571 -2.660 1.00 0.00 C ATOM 898 CG ASN A 58 -16.879 -7.327 -2.717 1.00 0.00 C ATOM 899 OD1 ASN A 58 -17.981 -6.783 -2.684 1.00 0.00 O ATOM 900 ND2 ASN A 58 -16.750 -8.586 -2.988 1.00 0.00 N ATOM 0 H ASN A 58 -14.867 -4.868 -0.630 1.00 0.00 H new ATOM 0 HA ASN A 58 -15.175 -7.802 -1.060 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -15.817 -5.506 -2.752 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -14.987 -6.848 -3.514 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -17.575 -9.153 -3.181 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.823 -9.011 -3.008 1.00 0.00 H new ATOM 907 N ASN A 59 -12.559 -6.645 -0.450 1.00 0.00 N ATOM 908 CA ASN A 59 -11.136 -6.941 -0.388 1.00 0.00 C ATOM 909 C ASN A 59 -10.950 -8.451 -0.307 1.00 0.00 C ATOM 910 O ASN A 59 -10.543 -9.042 0.687 1.00 0.00 O ATOM 911 CB ASN A 59 -10.492 -6.110 0.722 1.00 0.00 C ATOM 912 CG ASN A 59 -8.979 -6.212 0.776 1.00 0.00 C ATOM 913 OD1 ASN A 59 -8.309 -6.532 -0.204 1.00 0.00 O ATOM 914 ND2 ASN A 59 -8.451 -5.893 1.941 1.00 0.00 N ATOM 0 H ASN A 59 -12.943 -6.289 0.425 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.603 -6.642 -1.291 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.770 -5.065 0.586 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -10.901 -6.427 1.682 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.438 -5.904 2.062 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.055 -5.635 2.721 1.00 0.00 H new ATOM 921 N ASP A 60 -11.338 -9.058 -1.423 1.00 0.00 N ATOM 922 CA ASP A 60 -11.466 -10.487 -1.683 1.00 0.00 C ATOM 923 C ASP A 60 -11.107 -10.772 -3.141 1.00 0.00 C ATOM 924 O ASP A 60 -10.588 -11.843 -3.453 1.00 0.00 O ATOM 925 CB ASP A 60 -12.896 -10.990 -1.377 1.00 0.00 C ATOM 926 CG ASP A 60 -13.916 -10.774 -2.510 1.00 0.00 C ATOM 927 OD1 ASP A 60 -14.153 -9.602 -2.886 1.00 0.00 O ATOM 928 OD2 ASP A 60 -14.506 -11.769 -2.986 1.00 0.00 O ATOM 0 H ASP A 60 -11.595 -8.511 -2.245 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.780 -11.020 -1.025 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.850 -12.055 -1.148 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.258 -10.487 -0.481 1.00 0.00 H new ATOM 933 N GLY A 61 -11.324 -9.797 -4.033 1.00 0.00 N ATOM 934 CA GLY A 61 -11.119 -9.985 -5.457 1.00 0.00 C ATOM 935 C GLY A 61 -9.635 -10.104 -5.799 1.00 0.00 C ATOM 936 O GLY A 61 -9.231 -10.945 -6.605 1.00 0.00 O ATOM 0 H GLY A 61 -11.645 -8.863 -3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.642 -10.883 -5.785 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.553 -9.146 -6.002 1.00 0.00 H new ATOM 940 N SER A 62 -8.813 -9.200 -5.264 1.00 0.00 N ATOM 941 CA SER A 62 -7.407 -9.051 -5.482 1.00 0.00 C ATOM 942 C SER A 62 -6.931 -7.934 -4.540 1.00 0.00 C ATOM 943 O SER A 62 -7.753 -7.082 -4.199 1.00 0.00 O ATOM 944 CB SER A 62 -7.305 -8.557 -6.914 1.00 0.00 C ATOM 945 OG SER A 62 -7.054 -9.637 -7.785 1.00 0.00 O ATOM 0 H SER A 62 -9.164 -8.499 -4.611 1.00 0.00 H new ATOM 0 HA SER A 62 -6.827 -9.958 -5.312 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.230 -8.057 -7.201 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.506 -7.821 -6.996 1.00 0.00 H new ATOM 0 HG SER A 62 -7.707 -10.349 -7.620 1.00 0.00 H new ATOM 951 N PRO A 63 -5.624 -7.805 -4.240 1.00 0.00 N ATOM 952 CA PRO A 63 -5.090 -6.712 -3.421 1.00 0.00 C ATOM 953 C PRO A 63 -5.210 -5.330 -4.092 1.00 0.00 C ATOM 954 O PRO A 63 -4.890 -4.310 -3.495 1.00 0.00 O ATOM 955 CB PRO A 63 -3.633 -7.092 -3.139 1.00 0.00 C ATOM 956 CG PRO A 63 -3.255 -7.938 -4.353 1.00 0.00 C ATOM 957 CD PRO A 63 -4.550 -8.691 -4.662 1.00 0.00 C ATOM 0 HA PRO A 63 -5.667 -6.603 -2.503 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.997 -6.211 -3.047 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.535 -7.654 -2.210 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.937 -7.320 -5.193 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.434 -8.620 -4.130 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.626 -8.922 -5.725 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -4.590 -9.639 -4.126 1.00 0.00 H new ATOM 965 N GLU A 64 -5.729 -5.250 -5.314 1.00 0.00 N ATOM 966 CA GLU A 64 -6.226 -4.027 -5.919 1.00 0.00 C ATOM 967 C GLU A 64 -7.317 -3.391 -5.065 1.00 0.00 C ATOM 968 O GLU A 64 -7.418 -2.170 -4.987 1.00 0.00 O ATOM 969 CB GLU A 64 -6.812 -4.399 -7.281 1.00 0.00 C ATOM 970 CG GLU A 64 -5.719 -4.563 -8.342 1.00 0.00 C ATOM 971 CD GLU A 64 -5.188 -3.222 -8.869 1.00 0.00 C ATOM 972 OE1 GLU A 64 -5.110 -2.245 -8.090 1.00 0.00 O ATOM 973 OE2 GLU A 64 -4.750 -3.150 -10.037 1.00 0.00 O ATOM 0 H GLU A 64 -5.816 -6.062 -5.926 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.412 -3.308 -6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.376 -5.327 -7.193 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.514 -3.628 -7.598 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.892 -5.134 -7.919 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.114 -5.144 -9.176 1.00 0.00 H new ATOM 980 N ALA A 65 -8.111 -4.223 -4.397 1.00 0.00 N ATOM 981 CA ALA A 65 -9.060 -3.811 -3.383 1.00 0.00 C ATOM 982 C ALA A 65 -8.378 -3.133 -2.182 1.00 0.00 C ATOM 983 O ALA A 65 -9.027 -2.323 -1.534 1.00 0.00 O ATOM 984 CB ALA A 65 -9.887 -5.017 -2.954 1.00 0.00 C ATOM 0 H ALA A 65 -8.107 -5.231 -4.555 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.720 -3.057 -3.813 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.604 -4.714 -2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.422 -5.416 -3.816 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.228 -5.785 -2.548 1.00 0.00 H new ATOM 990 N VAL A 66 -7.080 -3.341 -1.930 1.00 0.00 N ATOM 991 CA VAL A 66 -6.333 -2.494 -0.987 1.00 0.00 C ATOM 992 C VAL A 66 -5.962 -1.180 -1.686 1.00 0.00 C ATOM 993 O VAL A 66 -6.016 -0.137 -1.053 1.00 0.00 O ATOM 994 CB VAL A 66 -5.061 -3.220 -0.478 1.00 0.00 C ATOM 995 CG1 VAL A 66 -4.223 -2.378 0.480 1.00 0.00 C ATOM 996 CG2 VAL A 66 -5.336 -4.584 0.186 1.00 0.00 C ATOM 0 H VAL A 66 -6.527 -4.082 -2.361 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.959 -2.283 -0.120 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.496 -3.390 -1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.349 -2.948 0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.899 -1.467 -0.024 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.821 -2.117 1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.395 -5.025 0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.991 -4.444 1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.817 -5.248 -0.532 1.00 0.00 H new ATOM 1006 N ILE A 67 -5.585 -1.158 -2.970 1.00 0.00 N ATOM 1007 CA ILE A 67 -5.148 0.091 -3.638 1.00 0.00 C ATOM 1008 C ILE A 67 -6.278 1.077 -3.695 1.00 0.00 C ATOM 1009 O ILE A 67 -6.071 2.270 -3.463 1.00 0.00 O ATOM 1010 CB ILE A 67 -4.586 -0.181 -5.060 1.00 0.00 C ATOM 1011 CG1 ILE A 67 -3.079 -0.408 -4.970 1.00 0.00 C ATOM 1012 CG2 ILE A 67 -4.792 0.913 -6.125 1.00 0.00 C ATOM 1013 CD1 ILE A 67 -2.802 -1.486 -3.939 1.00 0.00 C ATOM 0 H ILE A 67 -5.571 -1.982 -3.571 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.339 0.517 -3.045 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.162 -1.045 -5.392 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.685 -0.706 -5.941 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.575 0.517 -4.692 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.351 0.590 -7.068 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.859 1.088 -6.265 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.313 1.835 -5.797 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.727 -1.654 -3.868 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.184 -1.168 -2.969 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.295 -2.411 -4.238 1.00 0.00 H new ATOM 1025 N LYS A 68 -7.445 0.528 -4.005 1.00 0.00 N ATOM 1026 CA LYS A 68 -8.740 1.067 -3.732 1.00 0.00 C ATOM 1027 C LYS A 68 -8.674 1.680 -2.382 1.00 0.00 C ATOM 1028 O LYS A 68 -8.512 2.877 -2.306 1.00 0.00 O ATOM 1029 CB LYS A 68 -9.721 -0.096 -3.754 1.00 0.00 C ATOM 1030 CG LYS A 68 -10.341 -0.246 -5.119 1.00 0.00 C ATOM 1031 CD LYS A 68 -11.820 -0.683 -5.030 1.00 0.00 C ATOM 1032 CE LYS A 68 -12.866 0.358 -4.565 1.00 0.00 C ATOM 1033 NZ LYS A 68 -12.665 0.895 -3.198 1.00 0.00 N ATOM 0 H LYS A 68 -7.498 -0.369 -4.488 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.055 1.817 -4.457 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.207 -1.017 -3.480 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.502 0.066 -3.011 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.273 0.700 -5.656 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.779 -0.981 -5.695 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.121 -1.040 -6.015 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.875 -1.535 -4.352 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.862 1.191 -5.268 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.855 -0.098 -4.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.568 1.256 -2.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.315 0.139 -2.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.970 1.668 -3.227 1.00 0.00 H new ATOM 1047 N GLU A 69 -8.736 0.892 -1.338 1.00 0.00 N ATOM 1048 CA GLU A 69 -9.060 1.345 -0.026 1.00 0.00 C ATOM 1049 C GLU A 69 -7.989 2.239 0.560 1.00 0.00 C ATOM 1050 O GLU A 69 -8.285 3.011 1.455 1.00 0.00 O ATOM 1051 CB GLU A 69 -9.269 0.057 0.738 1.00 0.00 C ATOM 1052 CG GLU A 69 -10.777 -0.256 0.948 1.00 0.00 C ATOM 1053 CD GLU A 69 -11.686 0.034 -0.284 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -12.154 1.185 -0.453 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -11.941 -0.839 -1.146 1.00 0.00 O ATOM 0 H GLU A 69 -8.556 -0.111 -1.389 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.942 1.985 0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.800 -0.765 0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.774 0.126 1.707 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.881 -1.307 1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.140 0.328 1.794 1.00 0.00 H new ATOM 1062 N ILE A 70 -6.788 2.249 -0.002 1.00 0.00 N ATOM 1063 CA ILE A 70 -5.776 3.206 0.286 1.00 0.00 C ATOM 1064 C ILE A 70 -6.310 4.502 -0.303 1.00 0.00 C ATOM 1065 O ILE A 70 -6.704 5.400 0.430 1.00 0.00 O ATOM 1066 CB ILE A 70 -4.447 2.758 -0.286 1.00 0.00 C ATOM 1067 CG1 ILE A 70 -3.840 1.608 0.539 1.00 0.00 C ATOM 1068 CG2 ILE A 70 -3.486 3.943 -0.343 1.00 0.00 C ATOM 1069 CD1 ILE A 70 -4.508 0.979 1.768 1.00 0.00 C ATOM 0 H ILE A 70 -6.500 1.557 -0.694 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.572 3.334 1.349 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.615 2.383 -1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.666 0.792 -0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.862 1.957 0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.531 3.617 -0.755 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.908 4.723 -0.977 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.333 4.336 0.662 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.871 0.188 2.164 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.656 1.742 2.532 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.472 0.559 1.483 1.00 0.00 H new ATOM 1081 N LYS A 71 -6.327 4.613 -1.634 1.00 0.00 N ATOM 1082 CA LYS A 71 -6.741 5.845 -2.303 1.00 0.00 C ATOM 1083 C LYS A 71 -8.140 6.294 -1.886 1.00 0.00 C ATOM 1084 O LYS A 71 -8.336 7.504 -1.746 1.00 0.00 O ATOM 1085 CB LYS A 71 -6.433 5.762 -3.794 1.00 0.00 C ATOM 1086 CG LYS A 71 -7.572 5.894 -4.788 1.00 0.00 C ATOM 1087 CD LYS A 71 -8.308 4.559 -4.983 1.00 0.00 C ATOM 1088 CE LYS A 71 -9.022 4.431 -6.329 1.00 0.00 C ATOM 1089 NZ LYS A 71 -8.087 4.113 -7.440 1.00 0.00 N ATOM 0 H LYS A 71 -6.058 3.862 -2.269 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.140 6.687 -1.958 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.704 6.539 -4.023 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.946 4.804 -3.977 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.275 6.650 -4.439 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.182 6.239 -5.746 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.591 3.744 -4.885 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.039 4.439 -4.183 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.780 3.651 -6.262 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.542 5.363 -6.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.597 4.153 -8.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.310 4.805 -7.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.698 3.158 -7.304 1.00 0.00 H new ATOM 1103 N GLU A 72 -9.075 5.384 -1.615 1.00 0.00 N ATOM 1104 CA GLU A 72 -10.400 5.713 -1.214 1.00 0.00 C ATOM 1105 C GLU A 72 -10.400 6.230 0.227 1.00 0.00 C ATOM 1106 O GLU A 72 -10.972 7.290 0.473 1.00 0.00 O ATOM 1107 CB GLU A 72 -11.208 4.434 -1.401 1.00 0.00 C ATOM 1108 CG GLU A 72 -12.304 4.544 -2.456 1.00 0.00 C ATOM 1109 CD GLU A 72 -11.745 4.345 -3.874 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -11.570 3.167 -4.270 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -11.498 5.353 -4.573 1.00 0.00 O ATOM 0 H GLU A 72 -8.906 4.380 -1.676 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.840 6.517 -1.803 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.531 3.625 -1.677 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.661 4.159 -0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.075 3.799 -2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.781 5.522 -2.386 1.00 0.00 H new ATOM 1118 N TRP A 73 -9.720 5.556 1.168 1.00 0.00 N ATOM 1119 CA TRP A 73 -9.518 6.055 2.527 1.00 0.00 C ATOM 1120 C TRP A 73 -8.902 7.436 2.500 1.00 0.00 C ATOM 1121 O TRP A 73 -9.422 8.327 3.173 1.00 0.00 O ATOM 1122 CB TRP A 73 -8.672 5.109 3.354 1.00 0.00 C ATOM 1123 CG TRP A 73 -8.471 5.566 4.751 1.00 0.00 C ATOM 1124 CD1 TRP A 73 -9.283 5.282 5.787 1.00 0.00 C ATOM 1125 CD2 TRP A 73 -7.404 6.393 5.274 1.00 0.00 C ATOM 1126 NE1 TRP A 73 -8.774 5.857 6.935 1.00 0.00 N ATOM 1127 CE2 TRP A 73 -7.641 6.600 6.661 1.00 0.00 C ATOM 1128 CE3 TRP A 73 -6.254 6.971 4.703 1.00 0.00 C ATOM 1129 CZ2 TRP A 73 -6.783 7.380 7.445 1.00 0.00 C ATOM 1130 CZ3 TRP A 73 -5.375 7.734 5.485 1.00 0.00 C ATOM 1131 CH2 TRP A 73 -5.647 7.954 6.838 1.00 0.00 C ATOM 0 H TRP A 73 -9.294 4.644 1.001 1.00 0.00 H new ATOM 0 HA TRP A 73 -10.497 6.117 3.002 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.144 4.127 3.365 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -7.700 4.990 2.875 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.189 4.697 5.729 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -9.181 5.748 7.864 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -6.047 6.825 3.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -6.987 7.539 8.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -4.485 8.153 5.040 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -4.981 8.570 7.424 1.00 0.00 H new ATOM 1142 N ARG A 74 -7.811 7.635 1.750 1.00 0.00 N ATOM 1143 CA ARG A 74 -7.139 8.916 1.684 1.00 0.00 C ATOM 1144 C ARG A 74 -8.148 9.957 1.238 1.00 0.00 C ATOM 1145 O ARG A 74 -8.338 10.925 1.970 1.00 0.00 O ATOM 1146 CB ARG A 74 -5.922 8.841 0.750 1.00 0.00 C ATOM 1147 CG ARG A 74 -4.893 7.782 1.164 1.00 0.00 C ATOM 1148 CD ARG A 74 -4.031 8.150 2.358 1.00 0.00 C ATOM 1149 NE ARG A 74 -2.723 8.755 2.030 1.00 0.00 N ATOM 1150 CZ ARG A 74 -2.072 9.563 2.877 1.00 0.00 C ATOM 1151 NH1 ARG A 74 -2.754 10.222 3.801 1.00 0.00 N ATOM 1152 NH2 ARG A 74 -0.752 9.724 2.861 1.00 0.00 N ATOM 0 H ARG A 74 -7.379 6.909 1.178 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.754 9.199 2.664 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.264 8.626 -0.262 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.436 9.816 0.722 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.420 6.855 1.389 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.241 7.580 0.314 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.587 8.846 2.986 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.859 7.252 2.952 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.300 8.550 1.125 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.766 10.112 3.863 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.267 10.840 4.451 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.185 9.219 2.180 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.307 10.353 3.530 1.00 0.00 H new ATOM 1166 N ALA A 75 -8.811 9.770 0.095 1.00 0.00 N ATOM 1167 CA ALA A 75 -9.675 10.792 -0.442 1.00 0.00 C ATOM 1168 C ALA A 75 -10.900 11.037 0.442 1.00 0.00 C ATOM 1169 O ALA A 75 -11.314 12.187 0.576 1.00 0.00 O ATOM 1170 CB ALA A 75 -10.086 10.431 -1.873 1.00 0.00 C ATOM 0 H ALA A 75 -8.759 8.920 -0.466 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.115 11.727 -0.461 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.738 11.208 -2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.196 10.349 -2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.616 9.479 -1.870 1.00 0.00 H new ATOM 1176 N ALA A 76 -11.459 9.996 1.068 1.00 0.00 N ATOM 1177 CA ALA A 76 -12.560 10.118 2.016 1.00 0.00 C ATOM 1178 C ALA A 76 -12.126 10.973 3.205 1.00 0.00 C ATOM 1179 O ALA A 76 -12.841 11.893 3.598 1.00 0.00 O ATOM 1180 CB ALA A 76 -13.024 8.731 2.473 1.00 0.00 C ATOM 0 H ALA A 76 -11.152 9.034 0.925 1.00 0.00 H new ATOM 0 HA ALA A 76 -13.402 10.609 1.528 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -13.846 8.837 3.180 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -13.360 8.157 1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -12.196 8.211 2.955 1.00 0.00 H new ATOM 1186 N ASN A 77 -10.935 10.711 3.751 1.00 0.00 N ATOM 1187 CA ASN A 77 -10.303 11.525 4.771 1.00 0.00 C ATOM 1188 C ASN A 77 -9.783 12.878 4.246 1.00 0.00 C ATOM 1189 O ASN A 77 -9.122 13.605 4.990 1.00 0.00 O ATOM 1190 CB ASN A 77 -9.181 10.685 5.382 1.00 0.00 C ATOM 1191 CG ASN A 77 -9.719 9.679 6.386 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -9.832 9.962 7.571 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -10.091 8.501 5.924 1.00 0.00 N ATOM 0 H ASN A 77 -10.375 9.902 3.482 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.044 11.797 5.523 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -8.647 10.160 4.590 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.461 11.340 5.872 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.482 7.805 6.559 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.988 8.286 4.932 1.00 0.00 H new ATOM 1200 N GLY A 78 -10.049 13.248 2.988 1.00 0.00 N ATOM 1201 CA GLY A 78 -9.659 14.529 2.406 1.00 0.00 C ATOM 1202 C GLY A 78 -8.156 14.651 2.149 1.00 0.00 C ATOM 1203 O GLY A 78 -7.643 15.763 2.013 1.00 0.00 O ATOM 0 H GLY A 78 -10.553 12.648 2.335 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.193 14.669 1.466 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.972 15.332 3.073 1.00 0.00 H new ATOM 1207 N LYS A 79 -7.421 13.539 2.109 1.00 0.00 N ATOM 1208 CA LYS A 79 -5.992 13.460 1.965 1.00 0.00 C ATOM 1209 C LYS A 79 -5.668 12.991 0.550 1.00 0.00 C ATOM 1210 O LYS A 79 -6.506 12.414 -0.141 1.00 0.00 O ATOM 1211 CB LYS A 79 -5.505 12.454 3.012 1.00 0.00 C ATOM 1212 CG LYS A 79 -5.802 12.882 4.467 1.00 0.00 C ATOM 1213 CD LYS A 79 -4.598 12.767 5.412 1.00 0.00 C ATOM 1214 CE LYS A 79 -3.567 13.847 5.062 1.00 0.00 C ATOM 1215 NZ LYS A 79 -2.282 13.662 5.774 1.00 0.00 N ATOM 0 H LYS A 79 -7.850 12.616 2.182 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.502 14.422 2.117 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.975 11.489 2.823 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.430 12.313 2.896 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.153 13.914 4.466 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.615 12.269 4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.922 12.881 6.446 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.148 11.778 5.326 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.387 13.837 3.987 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.976 14.827 5.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.918 14.587 6.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.430 13.057 6.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.594 13.212 5.137 1.00 0.00 H new ATOM 1229 N SER A 80 -4.435 13.224 0.119 1.00 0.00 N ATOM 1230 CA SER A 80 -3.977 12.845 -1.202 1.00 0.00 C ATOM 1231 C SER A 80 -3.935 11.321 -1.345 1.00 0.00 C ATOM 1232 O SER A 80 -3.310 10.644 -0.524 1.00 0.00 O ATOM 1233 CB SER A 80 -2.582 13.438 -1.419 1.00 0.00 C ATOM 1234 OG SER A 80 -2.554 14.807 -1.038 1.00 0.00 O ATOM 0 H SER A 80 -3.723 13.685 0.685 1.00 0.00 H new ATOM 0 HA SER A 80 -4.667 13.229 -1.953 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.849 12.878 -0.838 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.299 13.341 -2.467 1.00 0.00 H new ATOM 0 HG SER A 80 -1.654 15.168 -1.182 1.00 0.00 H new ATOM 1240 N GLY A 81 -4.569 10.798 -2.397 1.00 0.00 N ATOM 1241 CA GLY A 81 -4.272 9.487 -2.934 1.00 0.00 C ATOM 1242 C GLY A 81 -2.991 9.627 -3.751 1.00 0.00 C ATOM 1243 O GLY A 81 -2.249 10.618 -3.633 1.00 0.00 O ATOM 0 H GLY A 81 -5.310 11.286 -2.899 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.142 8.761 -2.132 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.091 9.130 -3.558 1.00 0.00 H new ATOM 1247 N PHE A 82 -2.702 8.608 -4.550 1.00 0.00 N ATOM 1248 CA PHE A 82 -1.578 8.608 -5.436 1.00 0.00 C ATOM 1249 C PHE A 82 -1.752 9.626 -6.554 1.00 0.00 C ATOM 1250 O PHE A 82 -2.584 10.536 -6.529 1.00 0.00 O ATOM 1251 CB PHE A 82 -1.226 7.184 -5.906 1.00 0.00 C ATOM 1252 CG PHE A 82 -1.847 6.025 -5.145 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -3.123 5.567 -5.508 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -1.138 5.350 -4.136 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -3.645 4.404 -4.920 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -1.673 4.191 -3.548 1.00 0.00 C ATOM 1257 CZ PHE A 82 -2.930 3.713 -3.934 1.00 0.00 C ATOM 0 H PHE A 82 -3.258 7.754 -4.591 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.699 8.943 -4.885 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.515 7.093 -6.953 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -0.142 7.073 -5.864 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.703 6.109 -6.240 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.178 5.724 -3.811 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.612 4.037 -5.232 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.109 3.665 -2.792 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.342 2.825 -3.479 1.00 0.00 H new ATOM 1267 N LYS A 83 -0.879 9.478 -7.534 1.00 0.00 N ATOM 1268 CA LYS A 83 -0.996 10.072 -8.834 1.00 0.00 C ATOM 1269 C LYS A 83 -2.381 9.813 -9.438 1.00 0.00 C ATOM 1270 O LYS A 83 -3.105 8.910 -9.026 1.00 0.00 O ATOM 1271 CB LYS A 83 0.079 9.406 -9.672 1.00 0.00 C ATOM 1272 CG LYS A 83 0.774 10.397 -10.627 1.00 0.00 C ATOM 1273 CD LYS A 83 1.853 11.213 -9.890 1.00 0.00 C ATOM 1274 CE LYS A 83 3.033 10.313 -9.493 1.00 0.00 C ATOM 1275 NZ LYS A 83 3.847 10.864 -8.394 1.00 0.00 N ATOM 0 H LYS A 83 -0.036 8.914 -7.431 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.876 11.155 -8.792 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.823 8.956 -9.014 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.365 8.597 -10.252 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.228 9.852 -11.455 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.034 11.072 -11.057 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.205 12.022 -10.530 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.424 11.673 -9.000 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.651 9.336 -9.198 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.670 10.157 -10.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.470 10.121 -8.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.425 11.652 -8.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.222 11.208 -7.638 1.00 0.00 H new