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= -1.55 X(o=-1.5,f=-1.8) USER MOD Set 1.2: A 47 SER OG : rot 180:sc= 0.00372 USER MOD Set 2.1: A 10 TYR OH : rot -168:sc= 0.4 USER MOD Set 2.2: A 38 HIS : no HD1:sc= -0.211! C(o=0.19!,f=-8.1!) USER MOD Single : A 4 LYS NZ :NH3+ -178:sc= 2.46 (180deg=2.42) USER MOD Single : A 5 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.18) USER MOD Single : A 6 SER OG : rot 29:sc= 1.26 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -110:sc= 0.401 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 135:sc= 1.85 (180deg=-1.37!) USER MOD Single : A 17 LYS NZ :NH3+ -175:sc= 2.22 (180deg=2.19) USER MOD Single : A 24 ASN : amide:sc= 0.164 X(o=0.16,f=0) USER MOD Single : A 25 CYS SG : rot 56:sc= 0.278 USER MOD Single : A 30 LYS NZ :NH3+ -160:sc= 2.46 (180deg=1.77) USER MOD Single : A 31 LYS NZ :NH3+ 175:sc= 2.3 (180deg=2.14) USER MOD Single : A 32 GLN : amide:sc= 0.374 K(o=0.37,f=-0.68) USER MOD Single : A 35 ASN : amide:sc= -6.06! C(o=-6.1!,f=-7.2!) USER MOD Single : A 41 SER OG : rot 163:sc= 1.26 USER MOD Single : A 43 THR OG1 : rot 92:sc= 1.06 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0477 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= 1.21 K(o=1.2,f=-0.027) USER MOD Single : A 59 ASN : amide:sc= -1.15 K(o=-1.1,f=-7!) USER MOD Single : A 62 SER OG : rot 76:sc= 1.23 USER MOD Single : A 68 LYS NZ :NH3+ 179:sc= 0.492! (180deg=0.295!) USER MOD Single : A 71 LYS NZ :NH3+ 144:sc= 1.3 (180deg=1.13) USER MOD Single : A 77 ASN : amide:sc= 0.356 X(o=0.36,f=-0.063) USER MOD Single : A 79 LYS NZ :NH3+ -174:sc= -1.87! (180deg=-1.99!) USER MOD Single : A 80 SER OG : rot 72:sc= 0.922 USER MOD Single : A 83 LYS NZ :NH3+ -165:sc= 2.12 (180deg=1.89) USER MOD ----------------------------------------------------------------- ATOM 33 N LEU A 3 12.157 4.610 0.570 1.00 0.00 N ATOM 34 CA LEU A 3 11.568 4.592 -0.733 1.00 0.00 C ATOM 35 C LEU A 3 10.979 5.965 -1.098 1.00 0.00 C ATOM 36 O LEU A 3 11.312 6.990 -0.500 1.00 0.00 O ATOM 37 CB LEU A 3 10.575 3.416 -0.843 1.00 0.00 C ATOM 38 CG LEU A 3 11.156 2.018 -0.524 1.00 0.00 C ATOM 39 CD1 LEU A 3 10.043 0.969 -0.589 1.00 0.00 C ATOM 40 CD2 LEU A 3 12.279 1.618 -1.490 1.00 0.00 C ATOM 0 HA LEU A 3 12.336 4.413 -1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.740 3.605 -0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.170 3.399 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 3 11.579 2.066 0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.456 -0.014 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.270 1.213 0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.609 0.960 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 3 12.653 0.629 -1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.892 1.597 -2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 3 13.091 2.343 -1.425 1.00 0.00 H new ATOM 52 N LYS A 4 10.106 6.001 -2.114 1.00 0.00 N ATOM 53 CA LYS A 4 9.322 7.186 -2.482 1.00 0.00 C ATOM 54 C LYS A 4 8.799 7.844 -1.220 1.00 0.00 C ATOM 55 O LYS A 4 8.142 7.221 -0.397 1.00 0.00 O ATOM 56 CB LYS A 4 8.215 6.920 -3.511 1.00 0.00 C ATOM 57 CG LYS A 4 8.473 5.891 -4.618 1.00 0.00 C ATOM 58 CD LYS A 4 9.562 6.356 -5.600 1.00 0.00 C ATOM 59 CE LYS A 4 9.192 6.031 -7.052 1.00 0.00 C ATOM 60 NZ LYS A 4 8.089 6.873 -7.558 1.00 0.00 N ATOM 0 H LYS A 4 9.923 5.195 -2.712 1.00 0.00 H new ATOM 0 HA LYS A 4 9.991 7.873 -3.000 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.326 6.604 -2.966 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.974 7.869 -3.991 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.771 4.944 -4.169 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.548 5.707 -5.164 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.713 7.430 -5.495 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.508 5.875 -5.349 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.068 6.167 -7.686 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.906 4.982 -7.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.855 6.591 -8.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.253 6.751 -6.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.381 7.871 -7.548 1.00 0.00 H new ATOM 74 N ASN A 5 9.154 9.115 -1.057 1.00 0.00 N ATOM 75 CA ASN A 5 9.032 9.785 0.223 1.00 0.00 C ATOM 76 C ASN A 5 7.569 9.958 0.619 1.00 0.00 C ATOM 77 O ASN A 5 7.305 10.305 1.766 1.00 0.00 O ATOM 78 CB ASN A 5 9.773 11.132 0.157 1.00 0.00 C ATOM 79 CG ASN A 5 9.709 11.943 1.449 1.00 0.00 C ATOM 80 OD1 ASN A 5 9.405 13.128 1.412 1.00 0.00 O ATOM 81 ND2 ASN A 5 10.041 11.363 2.592 1.00 0.00 N ATOM 0 H ASN A 5 9.530 9.700 -1.803 1.00 0.00 H new ATOM 0 HA ASN A 5 9.490 9.172 0.999 1.00 0.00 H new ATOM 0 HB2 ASN A 5 10.818 10.948 -0.092 1.00 0.00 H new ATOM 0 HB3 ASN A 5 9.352 11.727 -0.654 1.00 0.00 H new ATOM 0 HD21 ASN A 5 10.046 11.905 3.456 1.00 0.00 H new ATOM 0 HD22 ASN A 5 10.292 10.375 2.608 1.00 0.00 H new ATOM 88 N SER A 6 6.608 9.755 -0.296 1.00 0.00 N ATOM 89 CA SER A 6 5.207 9.905 0.043 1.00 0.00 C ATOM 90 C SER A 6 4.294 9.374 -1.048 1.00 0.00 C ATOM 91 O SER A 6 4.713 9.147 -2.182 1.00 0.00 O ATOM 92 CB SER A 6 4.912 11.395 0.187 1.00 0.00 C ATOM 93 OG SER A 6 5.235 11.922 1.451 1.00 0.00 O ATOM 0 H SER A 6 6.785 9.489 -1.265 1.00 0.00 H new ATOM 0 HA SER A 6 5.023 9.346 0.960 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.468 11.940 -0.576 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.853 11.566 -0.007 1.00 0.00 H new ATOM 0 HG SER A 6 5.970 11.406 1.843 1.00 0.00 H new ATOM 99 N ILE A 7 3.006 9.278 -0.702 1.00 0.00 N ATOM 100 CA ILE A 7 1.952 8.705 -1.529 1.00 0.00 C ATOM 101 C ILE A 7 1.831 9.469 -2.844 1.00 0.00 C ATOM 102 O ILE A 7 1.530 8.881 -3.881 1.00 0.00 O ATOM 103 CB ILE A 7 0.635 8.608 -0.714 1.00 0.00 C ATOM 104 CG1 ILE A 7 0.590 7.254 0.024 1.00 0.00 C ATOM 105 CG2 ILE A 7 -0.669 8.834 -1.504 1.00 0.00 C ATOM 106 CD1 ILE A 7 0.330 6.022 -0.847 1.00 0.00 C ATOM 0 H ILE A 7 2.661 9.612 0.198 1.00 0.00 H new ATOM 0 HA ILE A 7 2.204 7.683 -1.813 1.00 0.00 H new ATOM 0 HB ILE A 7 0.668 9.444 -0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.538 7.114 0.543 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.186 7.305 0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.522 8.742 -0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.660 9.831 -1.944 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.749 8.089 -2.295 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.320 5.130 -0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.633 6.126 -1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.118 5.932 -1.595 1.00 0.00 H new ATOM 118 N SER A 8 2.142 10.765 -2.831 1.00 0.00 N ATOM 119 CA SER A 8 2.066 11.599 -4.030 1.00 0.00 C ATOM 120 C SER A 8 3.126 11.197 -5.072 1.00 0.00 C ATOM 121 O SER A 8 3.069 11.632 -6.226 1.00 0.00 O ATOM 122 CB SER A 8 2.169 13.072 -3.605 1.00 0.00 C ATOM 123 OG SER A 8 1.605 13.939 -4.567 1.00 0.00 O ATOM 0 H SER A 8 2.451 11.263 -1.996 1.00 0.00 H new ATOM 0 HA SER A 8 1.108 11.448 -4.528 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.662 13.210 -2.650 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.216 13.333 -3.451 1.00 0.00 H new ATOM 0 HG SER A 8 1.688 14.866 -4.261 1.00 0.00 H new ATOM 129 N ASP A 9 4.069 10.324 -4.708 1.00 0.00 N ATOM 130 CA ASP A 9 5.048 9.740 -5.610 1.00 0.00 C ATOM 131 C ASP A 9 4.913 8.222 -5.716 1.00 0.00 C ATOM 132 O ASP A 9 5.796 7.553 -6.234 1.00 0.00 O ATOM 133 CB ASP A 9 6.462 10.192 -5.237 1.00 0.00 C ATOM 134 CG ASP A 9 7.317 10.189 -6.512 1.00 0.00 C ATOM 135 OD1 ASP A 9 6.918 10.919 -7.454 1.00 0.00 O ATOM 136 OD2 ASP A 9 8.309 9.431 -6.585 1.00 0.00 O ATOM 0 H ASP A 9 4.170 9.998 -3.747 1.00 0.00 H new ATOM 0 HA ASP A 9 4.844 10.114 -6.613 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.439 11.189 -4.797 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.890 9.524 -4.490 1.00 0.00 H new ATOM 141 N TYR A 10 3.786 7.671 -5.271 1.00 0.00 N ATOM 142 CA TYR A 10 3.476 6.249 -5.305 1.00 0.00 C ATOM 143 C TYR A 10 2.311 5.991 -6.234 1.00 0.00 C ATOM 144 O TYR A 10 1.302 5.422 -5.842 1.00 0.00 O ATOM 145 CB TYR A 10 3.174 5.780 -3.892 1.00 0.00 C ATOM 146 CG TYR A 10 4.335 5.098 -3.266 1.00 0.00 C ATOM 147 CD1 TYR A 10 4.692 3.833 -3.745 1.00 0.00 C ATOM 148 CD2 TYR A 10 5.041 5.703 -2.230 1.00 0.00 C ATOM 149 CE1 TYR A 10 5.783 3.141 -3.209 1.00 0.00 C ATOM 150 CE2 TYR A 10 6.112 5.006 -1.670 1.00 0.00 C ATOM 151 CZ TYR A 10 6.503 3.740 -2.159 1.00 0.00 C ATOM 152 OH TYR A 10 7.562 3.100 -1.617 1.00 0.00 O ATOM 0 H TYR A 10 3.036 8.228 -4.861 1.00 0.00 H new ATOM 0 HA TYR A 10 4.329 5.688 -5.687 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.885 6.635 -3.281 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.323 5.100 -3.911 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.116 3.384 -4.541 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.768 6.684 -1.870 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.066 2.171 -3.591 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.654 5.444 -0.845 1.00 0.00 H new ATOM 0 HH TYR A 10 7.825 3.548 -0.786 1.00 0.00 H new ATOM 162 N THR A 11 2.449 6.469 -7.463 1.00 0.00 N ATOM 163 CA THR A 11 1.600 6.199 -8.608 1.00 0.00 C ATOM 164 C THR A 11 0.941 4.844 -8.444 1.00 0.00 C ATOM 165 O THR A 11 1.546 3.886 -7.970 1.00 0.00 O ATOM 166 CB THR A 11 2.352 6.186 -9.950 1.00 0.00 C ATOM 167 OG1 THR A 11 3.275 5.143 -10.006 1.00 0.00 O ATOM 168 CG2 THR A 11 3.110 7.446 -10.358 1.00 0.00 C ATOM 0 H THR A 11 3.214 7.101 -7.700 1.00 0.00 H new ATOM 0 HA THR A 11 0.875 7.012 -8.636 1.00 0.00 H new ATOM 0 HB THR A 11 1.523 6.080 -10.649 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.184 5.508 -9.976 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.588 7.286 -11.324 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.414 8.282 -10.432 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.870 7.672 -9.610 1.00 0.00 H new ATOM 176 N GLU A 12 -0.307 4.790 -8.858 1.00 0.00 N ATOM 177 CA GLU A 12 -1.169 3.652 -8.529 1.00 0.00 C ATOM 178 C GLU A 12 -0.522 2.270 -8.778 1.00 0.00 C ATOM 179 O GLU A 12 -0.787 1.318 -8.042 1.00 0.00 O ATOM 180 CB GLU A 12 -2.503 3.764 -9.278 1.00 0.00 C ATOM 181 CG GLU A 12 -3.658 3.375 -8.353 1.00 0.00 C ATOM 182 CD GLU A 12 -4.817 2.689 -9.074 1.00 0.00 C ATOM 183 OE1 GLU A 12 -4.681 1.481 -9.371 1.00 0.00 O ATOM 184 OE2 GLU A 12 -5.873 3.350 -9.225 1.00 0.00 O ATOM 0 H GLU A 12 -0.755 5.513 -9.421 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.338 3.706 -7.454 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.642 4.783 -9.638 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.493 3.115 -10.154 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.281 2.711 -7.575 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.030 4.270 -7.855 1.00 0.00 H new ATOM 191 N THR A 13 0.348 2.157 -9.789 1.00 0.00 N ATOM 192 CA THR A 13 1.073 0.923 -10.077 1.00 0.00 C ATOM 193 C THR A 13 2.393 0.814 -9.276 1.00 0.00 C ATOM 194 O THR A 13 2.780 -0.302 -8.944 1.00 0.00 O ATOM 195 CB THR A 13 1.322 0.844 -11.594 1.00 0.00 C ATOM 196 OG1 THR A 13 0.124 1.159 -12.282 1.00 0.00 O ATOM 197 CG2 THR A 13 1.777 -0.539 -12.067 1.00 0.00 C ATOM 0 H THR A 13 0.566 2.921 -10.428 1.00 0.00 H new ATOM 0 HA THR A 13 0.466 0.075 -9.760 1.00 0.00 H new ATOM 0 HB THR A 13 2.121 1.553 -11.809 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.280 1.111 -13.248 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.934 -0.521 -13.146 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.710 -0.805 -11.569 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.012 -1.277 -11.823 1.00 0.00 H new ATOM 205 N GLU A 14 3.094 1.899 -8.911 1.00 0.00 N ATOM 206 CA GLU A 14 4.216 1.814 -7.982 1.00 0.00 C ATOM 207 C GLU A 14 3.763 1.363 -6.594 1.00 0.00 C ATOM 208 O GLU A 14 4.433 0.511 -6.007 1.00 0.00 O ATOM 209 CB GLU A 14 4.933 3.162 -7.896 1.00 0.00 C ATOM 210 CG GLU A 14 5.644 3.456 -9.219 1.00 0.00 C ATOM 211 CD GLU A 14 6.312 4.834 -9.204 1.00 0.00 C ATOM 212 OE1 GLU A 14 5.591 5.838 -8.988 1.00 0.00 O ATOM 213 OE2 GLU A 14 7.548 4.925 -9.366 1.00 0.00 O ATOM 0 H GLU A 14 2.899 2.842 -9.248 1.00 0.00 H new ATOM 0 HA GLU A 14 4.910 1.065 -8.363 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.216 3.952 -7.675 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.655 3.149 -7.080 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.395 2.689 -9.408 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.926 3.408 -10.038 1.00 0.00 H new ATOM 220 N PHE A 15 2.644 1.886 -6.060 1.00 0.00 N ATOM 221 CA PHE A 15 2.154 1.356 -4.793 1.00 0.00 C ATOM 222 C PHE A 15 1.748 -0.102 -4.987 1.00 0.00 C ATOM 223 O PHE A 15 2.095 -0.918 -4.153 1.00 0.00 O ATOM 224 CB PHE A 15 1.041 2.211 -4.168 1.00 0.00 C ATOM 225 CG PHE A 15 0.935 2.095 -2.645 1.00 0.00 C ATOM 226 CD1 PHE A 15 2.025 2.443 -1.821 1.00 0.00 C ATOM 227 CD2 PHE A 15 -0.247 1.648 -2.025 1.00 0.00 C ATOM 228 CE1 PHE A 15 1.931 2.364 -0.420 1.00 0.00 C ATOM 229 CE2 PHE A 15 -0.339 1.578 -0.622 1.00 0.00 C ATOM 230 CZ PHE A 15 0.734 1.972 0.197 1.00 0.00 C ATOM 0 H PHE A 15 2.091 2.639 -6.469 1.00 0.00 H new ATOM 0 HA PHE A 15 2.963 1.400 -4.064 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.211 3.255 -4.430 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.087 1.923 -4.610 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.948 2.776 -2.273 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.092 1.356 -2.632 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.790 2.608 0.187 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.249 1.216 -0.167 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.639 1.973 1.273 1.00 0.00 H new ATOM 240 N LYS A 16 1.137 -0.489 -6.113 1.00 0.00 N ATOM 241 CA LYS A 16 0.949 -1.901 -6.430 1.00 0.00 C ATOM 242 C LYS A 16 2.266 -2.633 -6.312 1.00 0.00 C ATOM 243 O LYS A 16 2.243 -3.573 -5.553 1.00 0.00 O ATOM 244 CB LYS A 16 0.419 -2.028 -7.866 1.00 0.00 C ATOM 245 CG LYS A 16 -0.714 -3.032 -8.043 1.00 0.00 C ATOM 246 CD LYS A 16 -2.029 -2.309 -7.751 1.00 0.00 C ATOM 247 CE LYS A 16 -2.588 -1.538 -8.961 1.00 0.00 C ATOM 248 NZ LYS A 16 -3.982 -1.082 -8.752 1.00 0.00 N ATOM 0 H LYS A 16 0.768 0.155 -6.813 1.00 0.00 H new ATOM 0 HA LYS A 16 0.234 -2.338 -5.732 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.073 -1.049 -8.199 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.244 -2.314 -8.519 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.715 -3.432 -9.057 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.584 -3.877 -7.367 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.769 -3.038 -7.421 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.876 -1.613 -6.926 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.954 -0.675 -9.162 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.547 -2.176 -9.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.075 -0.094 -9.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.630 -1.681 -9.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.222 -1.150 -7.742 1.00 0.00 H new ATOM 262 N LYS A 17 3.396 -2.245 -6.927 1.00 0.00 N ATOM 263 CA LYS A 17 4.616 -3.013 -6.775 1.00 0.00 C ATOM 264 C LYS A 17 4.911 -3.319 -5.322 1.00 0.00 C ATOM 265 O LYS A 17 5.251 -4.460 -5.063 1.00 0.00 O ATOM 266 CB LYS A 17 5.806 -2.316 -7.444 1.00 0.00 C ATOM 267 CG LYS A 17 6.900 -3.344 -7.767 1.00 0.00 C ATOM 268 CD LYS A 17 7.913 -3.694 -6.640 1.00 0.00 C ATOM 269 CE LYS A 17 8.254 -5.202 -6.594 1.00 0.00 C ATOM 270 NZ LYS A 17 9.281 -5.561 -5.577 1.00 0.00 N ATOM 0 H LYS A 17 3.478 -1.419 -7.520 1.00 0.00 H new ATOM 0 HA LYS A 17 4.458 -3.964 -7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.481 -1.819 -8.358 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.204 -1.544 -6.785 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.412 -4.267 -8.079 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.464 -2.976 -8.624 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.829 -3.123 -6.790 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.501 -3.389 -5.678 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.343 -5.764 -6.389 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.607 -5.514 -7.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.517 -6.570 -5.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.137 -4.990 -5.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.907 -5.374 -4.625 1.00 0.00 H new ATOM 284 N ILE A 18 4.802 -2.355 -4.407 1.00 0.00 N ATOM 285 CA ILE A 18 5.106 -2.596 -2.991 1.00 0.00 C ATOM 286 C ILE A 18 4.093 -3.537 -2.344 1.00 0.00 C ATOM 287 O ILE A 18 4.403 -4.416 -1.544 1.00 0.00 O ATOM 288 CB ILE A 18 5.250 -1.253 -2.256 1.00 0.00 C ATOM 289 CG1 ILE A 18 6.511 -1.439 -1.383 1.00 0.00 C ATOM 290 CG2 ILE A 18 4.050 -0.619 -1.529 1.00 0.00 C ATOM 291 CD1 ILE A 18 6.700 -0.420 -0.281 1.00 0.00 C ATOM 0 H ILE A 18 4.507 -1.402 -4.618 1.00 0.00 H new ATOM 0 HA ILE A 18 6.062 -3.114 -2.914 1.00 0.00 H new ATOM 0 HB ILE A 18 5.327 -0.469 -3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.477 -2.431 -0.933 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.387 -1.413 -2.031 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.356 0.323 -1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.248 -0.434 -2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.695 -1.297 -0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.614 -0.644 0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.773 0.577 -0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.849 -0.457 0.399 1.00 0.00 H new ATOM 303 N ILE A 19 2.855 -3.343 -2.743 1.00 0.00 N ATOM 304 CA ILE A 19 1.717 -4.064 -2.218 1.00 0.00 C ATOM 305 C ILE A 19 1.590 -5.487 -2.827 1.00 0.00 C ATOM 306 O ILE A 19 0.987 -6.384 -2.242 1.00 0.00 O ATOM 307 CB ILE A 19 0.511 -3.135 -2.427 1.00 0.00 C ATOM 308 CG1 ILE A 19 0.579 -1.839 -1.587 1.00 0.00 C ATOM 309 CG2 ILE A 19 -0.823 -3.769 -2.118 1.00 0.00 C ATOM 310 CD1 ILE A 19 0.827 -2.009 -0.097 1.00 0.00 C ATOM 0 H ILE A 19 2.606 -2.662 -3.460 1.00 0.00 H new ATOM 0 HA ILE A 19 1.812 -4.287 -1.155 1.00 0.00 H new ATOM 0 HB ILE A 19 0.577 -2.911 -3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.370 -1.209 -1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.358 -1.298 -1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.619 -3.045 -2.292 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.973 -4.635 -2.763 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.842 -4.086 -1.075 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.853 -1.030 0.381 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.025 -2.605 0.340 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.780 -2.514 0.058 1.00 0.00 H new ATOM 322 N GLU A 20 2.177 -5.744 -3.988 1.00 0.00 N ATOM 323 CA GLU A 20 2.306 -6.999 -4.678 1.00 0.00 C ATOM 324 C GLU A 20 3.548 -7.726 -4.173 1.00 0.00 C ATOM 325 O GLU A 20 3.527 -8.932 -3.990 1.00 0.00 O ATOM 326 CB GLU A 20 2.431 -6.621 -6.158 1.00 0.00 C ATOM 327 CG GLU A 20 1.747 -7.555 -7.119 1.00 0.00 C ATOM 328 CD GLU A 20 1.707 -6.933 -8.522 1.00 0.00 C ATOM 329 OE1 GLU A 20 2.740 -7.014 -9.224 1.00 0.00 O ATOM 330 OE2 GLU A 20 0.656 -6.338 -8.859 1.00 0.00 O ATOM 0 H GLU A 20 2.618 -4.991 -4.517 1.00 0.00 H new ATOM 0 HA GLU A 20 1.463 -7.671 -4.516 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.022 -5.620 -6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.489 -6.572 -6.416 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.275 -8.508 -7.150 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.734 -7.764 -6.776 1.00 0.00 H new ATOM 337 N ASP A 21 4.627 -6.990 -3.929 1.00 0.00 N ATOM 338 CA ASP A 21 5.869 -7.408 -3.279 1.00 0.00 C ATOM 339 C ASP A 21 5.563 -8.125 -1.965 1.00 0.00 C ATOM 340 O ASP A 21 6.118 -9.191 -1.711 1.00 0.00 O ATOM 341 CB ASP A 21 6.705 -6.124 -3.186 1.00 0.00 C ATOM 342 CG ASP A 21 7.936 -5.985 -2.312 1.00 0.00 C ATOM 343 OD1 ASP A 21 7.938 -6.307 -1.109 1.00 0.00 O ATOM 344 OD2 ASP A 21 8.881 -5.348 -2.850 1.00 0.00 O ATOM 0 H ASP A 21 4.661 -6.008 -4.201 1.00 0.00 H new ATOM 0 HA ASP A 21 6.446 -8.155 -3.824 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.023 -5.891 -4.202 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.020 -5.334 -2.878 1.00 0.00 H new ATOM 349 N ILE A 22 4.566 -7.655 -1.218 1.00 0.00 N ATOM 350 CA ILE A 22 4.004 -8.412 -0.108 1.00 0.00 C ATOM 351 C ILE A 22 3.113 -9.564 -0.580 1.00 0.00 C ATOM 352 O ILE A 22 3.543 -10.711 -0.522 1.00 0.00 O ATOM 353 CB ILE A 22 3.362 -7.472 0.930 1.00 0.00 C ATOM 354 CG1 ILE A 22 2.255 -6.531 0.429 1.00 0.00 C ATOM 355 CG2 ILE A 22 4.512 -6.626 1.480 1.00 0.00 C ATOM 356 CD1 ILE A 22 1.893 -5.322 1.298 1.00 0.00 C ATOM 0 H ILE A 22 4.129 -6.745 -1.366 1.00 0.00 H new ATOM 0 HA ILE A 22 4.817 -8.913 0.418 1.00 0.00 H new ATOM 0 HB ILE A 22 2.852 -8.103 1.658 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.550 -6.161 -0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.351 -7.124 0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.128 -5.931 2.227 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.256 -7.277 1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.973 -6.066 0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.098 -4.753 0.816 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.553 -5.665 2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.770 -4.687 1.422 1.00 0.00 H new ATOM 368 N ILE A 23 1.880 -9.290 -1.018 1.00 0.00 N ATOM 369 CA ILE A 23 0.855 -10.332 -1.199 1.00 0.00 C ATOM 370 C ILE A 23 1.343 -11.451 -2.142 1.00 0.00 C ATOM 371 O ILE A 23 1.177 -12.635 -1.854 1.00 0.00 O ATOM 372 CB ILE A 23 -0.494 -9.718 -1.668 1.00 0.00 C ATOM 373 CG1 ILE A 23 -1.077 -8.636 -0.727 1.00 0.00 C ATOM 374 CG2 ILE A 23 -1.568 -10.805 -1.874 1.00 0.00 C ATOM 375 CD1 ILE A 23 -1.255 -9.047 0.742 1.00 0.00 C ATOM 0 H ILE A 23 1.563 -8.350 -1.256 1.00 0.00 H new ATOM 0 HA ILE A 23 0.677 -10.795 -0.228 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.244 -9.231 -2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.426 -7.762 -0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.047 -8.327 -1.117 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.498 -10.340 -2.202 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.229 -11.512 -2.631 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.737 -11.332 -0.935 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.670 -8.211 1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.934 -9.898 0.802 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.288 -9.324 1.162 1.00 0.00 H new ATOM 387 N ASN A 24 1.911 -11.082 -3.288 1.00 0.00 N ATOM 388 CA ASN A 24 2.439 -11.947 -4.325 1.00 0.00 C ATOM 389 C ASN A 24 3.851 -12.483 -4.023 1.00 0.00 C ATOM 390 O ASN A 24 4.275 -13.407 -4.712 1.00 0.00 O ATOM 391 CB ASN A 24 2.281 -11.169 -5.641 1.00 0.00 C ATOM 392 CG ASN A 24 3.452 -11.140 -6.596 1.00 0.00 C ATOM 393 OD1 ASN A 24 3.533 -11.906 -7.549 1.00 0.00 O ATOM 394 ND2 ASN A 24 4.238 -10.092 -6.480 1.00 0.00 N ATOM 0 H ASN A 24 2.019 -10.096 -3.528 1.00 0.00 H new ATOM 0 HA ASN A 24 1.882 -12.882 -4.393 1.00 0.00 H new ATOM 0 HB2 ASN A 24 1.426 -11.586 -6.174 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.029 -10.138 -5.391 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.939 -9.899 -7.195 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.146 -9.472 -5.675 1.00 0.00 H new ATOM 401 N CYS A 25 4.508 -12.019 -2.949 1.00 0.00 N ATOM 402 CA CYS A 25 5.616 -12.653 -2.245 1.00 0.00 C ATOM 403 C CYS A 25 6.945 -12.510 -2.979 1.00 0.00 C ATOM 404 O CYS A 25 7.415 -13.427 -3.657 1.00 0.00 O ATOM 405 CB CYS A 25 5.320 -14.115 -1.870 1.00 0.00 C ATOM 406 SG CYS A 25 3.956 -14.229 -0.672 1.00 0.00 S ATOM 0 H CYS A 25 4.255 -11.126 -2.525 1.00 0.00 H new ATOM 0 HA CYS A 25 5.721 -12.105 -1.309 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.066 -14.678 -2.768 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.215 -14.573 -1.449 1.00 0.00 H new ATOM 0 HG CYS A 25 2.906 -13.632 -1.152 1.00 0.00 H new ATOM 411 N GLU A 26 7.603 -11.375 -2.764 1.00 0.00 N ATOM 412 CA GLU A 26 8.994 -11.173 -2.980 1.00 0.00 C ATOM 413 C GLU A 26 9.809 -12.156 -2.127 1.00 0.00 C ATOM 414 O GLU A 26 9.348 -12.657 -1.093 1.00 0.00 O ATOM 415 CB GLU A 26 9.244 -9.713 -2.623 1.00 0.00 C ATOM 416 CG GLU A 26 9.284 -8.793 -3.850 1.00 0.00 C ATOM 417 CD GLU A 26 10.525 -8.880 -4.735 1.00 0.00 C ATOM 418 OE1 GLU A 26 11.289 -9.866 -4.628 1.00 0.00 O ATOM 419 OE2 GLU A 26 10.678 -7.910 -5.525 1.00 0.00 O ATOM 0 H GLU A 26 7.136 -10.538 -2.415 1.00 0.00 H new ATOM 0 HA GLU A 26 9.303 -11.365 -4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.461 -9.372 -1.945 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.189 -9.633 -2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.411 -9.010 -4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.183 -7.764 -3.506 1.00 0.00 H new ATOM 426 N GLY A 27 11.047 -12.405 -2.554 1.00 0.00 N ATOM 427 CA GLY A 27 11.804 -13.599 -2.187 1.00 0.00 C ATOM 428 C GLY A 27 12.526 -13.634 -0.847 1.00 0.00 C ATOM 429 O GLY A 27 13.388 -14.494 -0.661 1.00 0.00 O ATOM 0 H GLY A 27 11.558 -11.774 -3.172 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.117 -14.445 -2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.548 -13.769 -2.966 1.00 0.00 H new ATOM 433 N ASP A 28 12.215 -12.730 0.069 1.00 0.00 N ATOM 434 CA ASP A 28 12.719 -12.657 1.415 1.00 0.00 C ATOM 435 C ASP A 28 11.631 -11.963 2.219 1.00 0.00 C ATOM 436 O ASP A 28 11.145 -10.895 1.855 1.00 0.00 O ATOM 437 CB ASP A 28 14.028 -11.868 1.440 1.00 0.00 C ATOM 438 CG ASP A 28 14.730 -11.877 2.805 1.00 0.00 C ATOM 439 OD1 ASP A 28 14.090 -12.244 3.818 1.00 0.00 O ATOM 440 OD2 ASP A 28 15.906 -11.455 2.848 1.00 0.00 O ATOM 0 H ASP A 28 11.556 -11.978 -0.132 1.00 0.00 H new ATOM 0 HA ASP A 28 12.942 -13.640 1.831 1.00 0.00 H new ATOM 0 HB2 ASP A 28 14.704 -12.280 0.691 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.825 -10.836 1.153 1.00 0.00 H new ATOM 445 N GLU A 29 11.249 -12.589 3.315 1.00 0.00 N ATOM 446 CA GLU A 29 10.552 -12.068 4.463 1.00 0.00 C ATOM 447 C GLU A 29 10.932 -10.616 4.721 1.00 0.00 C ATOM 448 O GLU A 29 10.061 -9.768 4.870 1.00 0.00 O ATOM 449 CB GLU A 29 10.961 -12.970 5.644 1.00 0.00 C ATOM 450 CG GLU A 29 9.952 -12.866 6.773 1.00 0.00 C ATOM 451 CD GLU A 29 10.552 -13.218 8.144 1.00 0.00 C ATOM 452 OE1 GLU A 29 10.954 -14.384 8.343 1.00 0.00 O ATOM 453 OE2 GLU A 29 10.664 -12.290 8.985 1.00 0.00 O ATOM 0 H GLU A 29 11.444 -13.584 3.430 1.00 0.00 H new ATOM 0 HA GLU A 29 9.472 -12.075 4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.034 -14.005 5.309 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.948 -12.681 6.004 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.554 -11.852 6.806 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.114 -13.531 6.567 1.00 0.00 H new ATOM 460 N LYS A 30 12.225 -10.296 4.766 1.00 0.00 N ATOM 461 CA LYS A 30 12.699 -8.967 5.066 1.00 0.00 C ATOM 462 C LYS A 30 12.341 -7.925 4.040 1.00 0.00 C ATOM 463 O LYS A 30 12.157 -6.762 4.370 1.00 0.00 O ATOM 464 CB LYS A 30 14.194 -9.124 5.174 1.00 0.00 C ATOM 465 CG LYS A 30 14.540 -10.102 6.314 1.00 0.00 C ATOM 466 CD LYS A 30 14.042 -9.688 7.718 1.00 0.00 C ATOM 467 CE LYS A 30 12.701 -10.396 7.985 1.00 0.00 C ATOM 468 NZ LYS A 30 11.980 -9.959 9.195 1.00 0.00 N ATOM 0 H LYS A 30 12.972 -10.968 4.592 1.00 0.00 H new ATOM 0 HA LYS A 30 12.226 -8.596 5.975 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.598 -9.493 4.232 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.657 -8.155 5.362 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.121 -11.078 6.072 1.00 0.00 H new ATOM 0 HG3 LYS A 30 15.623 -10.221 6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.774 -9.964 8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.918 -8.607 7.773 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.052 -10.244 7.122 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.885 -11.468 8.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.296 -10.691 9.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.659 -9.807 9.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.476 -9.071 8.997 1.00 0.00 H new ATOM 482 N LYS A 31 12.247 -8.330 2.793 1.00 0.00 N ATOM 483 CA LYS A 31 11.725 -7.546 1.719 1.00 0.00 C ATOM 484 C LYS A 31 10.255 -7.194 2.008 1.00 0.00 C ATOM 485 O LYS A 31 9.852 -6.046 1.838 1.00 0.00 O ATOM 486 CB LYS A 31 11.944 -8.387 0.459 1.00 0.00 C ATOM 487 CG LYS A 31 12.348 -7.616 -0.788 1.00 0.00 C ATOM 488 CD LYS A 31 11.270 -6.660 -1.299 1.00 0.00 C ATOM 489 CE LYS A 31 11.401 -5.267 -0.666 1.00 0.00 C ATOM 490 NZ LYS A 31 10.096 -4.611 -0.492 1.00 0.00 N ATOM 0 H LYS A 31 12.549 -9.258 2.497 1.00 0.00 H new ATOM 0 HA LYS A 31 12.220 -6.583 1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 31 12.714 -9.130 0.670 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.025 -8.932 0.244 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.253 -7.047 -0.575 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.596 -8.325 -1.578 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.343 -6.575 -2.383 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.285 -7.070 -1.077 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.894 -5.355 0.302 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.039 -4.643 -1.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.224 -3.712 0.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.673 -4.426 -1.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.466 -5.231 0.057 1.00 0.00 H new ATOM 504 N GLN A 32 9.450 -8.146 2.471 1.00 0.00 N ATOM 505 CA GLN A 32 8.055 -7.899 2.819 1.00 0.00 C ATOM 506 C GLN A 32 7.943 -7.034 4.092 1.00 0.00 C ATOM 507 O GLN A 32 7.069 -6.175 4.180 1.00 0.00 O ATOM 508 CB GLN A 32 7.317 -9.245 2.944 1.00 0.00 C ATOM 509 CG GLN A 32 7.571 -10.155 1.721 1.00 0.00 C ATOM 510 CD GLN A 32 6.740 -11.437 1.712 1.00 0.00 C ATOM 511 OE1 GLN A 32 5.785 -11.592 2.462 1.00 0.00 O ATOM 512 NE2 GLN A 32 7.106 -12.410 0.889 1.00 0.00 N ATOM 0 H GLN A 32 9.747 -9.111 2.615 1.00 0.00 H new ATOM 0 HA GLN A 32 7.575 -7.326 2.026 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.643 -9.755 3.850 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.247 -9.065 3.047 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.359 -9.591 0.812 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.628 -10.420 1.692 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.902 -12.278 0.265 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.591 -13.291 0.880 1.00 0.00 H new ATOM 521 N ASP A 33 8.852 -7.211 5.054 1.00 0.00 N ATOM 522 CA ASP A 33 9.036 -6.379 6.263 1.00 0.00 C ATOM 523 C ASP A 33 9.372 -4.930 5.892 1.00 0.00 C ATOM 524 O ASP A 33 8.827 -3.976 6.445 1.00 0.00 O ATOM 525 CB ASP A 33 10.197 -6.994 7.073 1.00 0.00 C ATOM 526 CG ASP A 33 10.173 -6.824 8.591 1.00 0.00 C ATOM 527 OD1 ASP A 33 9.211 -6.261 9.149 1.00 0.00 O ATOM 528 OD2 ASP A 33 11.120 -7.385 9.201 1.00 0.00 O ATOM 0 H ASP A 33 9.521 -7.980 5.015 1.00 0.00 H new ATOM 0 HA ASP A 33 8.114 -6.362 6.845 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.229 -8.062 6.856 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.128 -6.566 6.702 1.00 0.00 H new ATOM 533 N ASP A 34 10.240 -4.770 4.892 1.00 0.00 N ATOM 534 CA ASP A 34 10.657 -3.488 4.325 1.00 0.00 C ATOM 535 C ASP A 34 9.461 -2.744 3.751 1.00 0.00 C ATOM 536 O ASP A 34 9.292 -1.550 4.013 1.00 0.00 O ATOM 537 CB ASP A 34 11.724 -3.667 3.229 1.00 0.00 C ATOM 538 CG ASP A 34 11.733 -2.514 2.214 1.00 0.00 C ATOM 539 OD1 ASP A 34 12.211 -1.419 2.578 1.00 0.00 O ATOM 540 OD2 ASP A 34 11.255 -2.719 1.073 1.00 0.00 O ATOM 0 H ASP A 34 10.690 -5.564 4.436 1.00 0.00 H new ATOM 0 HA ASP A 34 11.095 -2.906 5.136 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.707 -3.743 3.694 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.546 -4.606 2.704 1.00 0.00 H new ATOM 545 N ASN A 35 8.624 -3.463 2.994 1.00 0.00 N ATOM 546 CA ASN A 35 7.321 -2.931 2.617 1.00 0.00 C ATOM 547 C ASN A 35 6.556 -2.540 3.862 1.00 0.00 C ATOM 548 O ASN A 35 5.957 -1.485 3.856 1.00 0.00 O ATOM 549 CB ASN A 35 6.430 -3.890 1.812 1.00 0.00 C ATOM 550 CG ASN A 35 4.974 -3.386 1.825 1.00 0.00 C ATOM 551 OD1 ASN A 35 4.567 -2.612 0.978 1.00 0.00 O ATOM 552 ND2 ASN A 35 4.164 -3.745 2.816 1.00 0.00 N ATOM 0 H ASN A 35 8.825 -4.398 2.639 1.00 0.00 H new ATOM 0 HA ASN A 35 7.543 -2.083 1.969 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.791 -3.961 0.786 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.481 -4.892 2.238 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.215 -3.373 2.860 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.491 -4.393 3.533 1.00 0.00 H new ATOM 559 N LEU A 36 6.438 -3.415 4.855 1.00 0.00 N ATOM 560 CA LEU A 36 5.485 -3.282 5.939 1.00 0.00 C ATOM 561 C LEU A 36 5.640 -1.965 6.697 1.00 0.00 C ATOM 562 O LEU A 36 4.689 -1.187 6.818 1.00 0.00 O ATOM 563 CB LEU A 36 5.533 -4.604 6.736 1.00 0.00 C ATOM 564 CG LEU A 36 4.388 -5.532 6.315 1.00 0.00 C ATOM 565 CD1 LEU A 36 4.646 -6.974 6.757 1.00 0.00 C ATOM 566 CD2 LEU A 36 3.038 -5.077 6.888 1.00 0.00 C ATOM 0 H LEU A 36 7.017 -4.252 4.926 1.00 0.00 H new ATOM 0 HA LEU A 36 4.457 -3.171 5.595 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.489 -5.100 6.570 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.464 -4.394 7.803 1.00 0.00 H new ATOM 0 HG LEU A 36 4.346 -5.485 5.227 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.815 -7.605 6.443 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.568 -7.335 6.301 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.739 -7.011 7.842 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.255 -5.763 6.564 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.088 -5.071 7.977 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.811 -4.073 6.530 1.00 0.00 H new ATOM 578 N GLU A 37 6.870 -1.655 7.067 1.00 0.00 N ATOM 579 CA GLU A 37 7.263 -0.335 7.572 1.00 0.00 C ATOM 580 C GLU A 37 6.863 0.739 6.569 1.00 0.00 C ATOM 581 O GLU A 37 6.232 1.723 6.936 1.00 0.00 O ATOM 582 CB GLU A 37 8.778 -0.324 7.859 1.00 0.00 C ATOM 583 CG GLU A 37 9.365 1.040 8.284 1.00 0.00 C ATOM 584 CD GLU A 37 9.720 1.993 7.126 1.00 0.00 C ATOM 585 OE1 GLU A 37 10.432 1.567 6.186 1.00 0.00 O ATOM 586 OE2 GLU A 37 9.329 3.181 7.187 1.00 0.00 O ATOM 0 H GLU A 37 7.643 -2.319 7.027 1.00 0.00 H new ATOM 0 HA GLU A 37 6.746 -0.120 8.507 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.986 -1.050 8.645 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.302 -0.663 6.965 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.648 1.538 8.936 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.263 0.862 8.875 1.00 0.00 H new ATOM 593 N HIS A 38 7.186 0.549 5.298 1.00 0.00 N ATOM 594 CA HIS A 38 6.921 1.545 4.284 1.00 0.00 C ATOM 595 C HIS A 38 5.422 1.829 4.052 1.00 0.00 C ATOM 596 O HIS A 38 5.036 2.982 3.896 1.00 0.00 O ATOM 597 CB HIS A 38 7.630 1.143 3.000 1.00 0.00 C ATOM 598 CG HIS A 38 7.739 2.359 2.151 1.00 0.00 C ATOM 599 ND1 HIS A 38 8.526 3.458 2.428 1.00 0.00 N ATOM 600 CD2 HIS A 38 6.776 2.729 1.264 1.00 0.00 C ATOM 601 CE1 HIS A 38 8.022 4.488 1.737 1.00 0.00 C ATOM 602 NE2 HIS A 38 6.995 4.072 0.989 1.00 0.00 N ATOM 0 H HIS A 38 7.636 -0.296 4.947 1.00 0.00 H new ATOM 0 HA HIS A 38 7.318 2.494 4.646 1.00 0.00 H new ATOM 0 HB2 HIS A 38 8.618 0.738 3.218 1.00 0.00 H new ATOM 0 HB3 HIS A 38 7.073 0.362 2.482 1.00 0.00 H new ATOM 0 HD2 HIS A 38 5.997 2.103 0.855 1.00 0.00 H new ATOM 0 HE1 HIS A 38 8.390 5.503 1.778 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.464 4.642 0.331 1.00 0.00 H new ATOM 610 N PHE A 39 4.577 0.803 4.046 1.00 0.00 N ATOM 611 CA PHE A 39 3.109 0.800 4.038 1.00 0.00 C ATOM 612 C PHE A 39 2.565 1.540 5.272 1.00 0.00 C ATOM 613 O PHE A 39 1.440 2.018 5.216 1.00 0.00 O ATOM 614 CB PHE A 39 2.655 -0.677 4.020 1.00 0.00 C ATOM 615 CG PHE A 39 1.164 -0.890 3.887 1.00 0.00 C ATOM 616 CD1 PHE A 39 0.537 -0.411 2.734 1.00 0.00 C ATOM 617 CD2 PHE A 39 0.428 -1.653 4.809 1.00 0.00 C ATOM 618 CE1 PHE A 39 -0.817 -0.669 2.473 1.00 0.00 C ATOM 619 CE2 PHE A 39 -0.926 -1.933 4.541 1.00 0.00 C ATOM 620 CZ PHE A 39 -1.557 -1.409 3.406 1.00 0.00 C ATOM 0 H PHE A 39 4.938 -0.151 4.047 1.00 0.00 H new ATOM 0 HA PHE A 39 2.721 1.320 3.162 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.153 -1.184 3.194 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.994 -1.156 4.939 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.108 0.172 2.027 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.894 -2.020 5.711 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.281 -0.304 1.569 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.485 -2.560 5.220 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.613 -1.575 3.249 1.00 0.00 H new ATOM 630 N ILE A 40 3.325 1.705 6.362 1.00 0.00 N ATOM 631 CA ILE A 40 2.995 2.731 7.369 1.00 0.00 C ATOM 632 C ILE A 40 3.537 4.095 6.978 1.00 0.00 C ATOM 633 O ILE A 40 2.918 5.113 7.279 1.00 0.00 O ATOM 634 CB ILE A 40 3.563 2.360 8.775 1.00 0.00 C ATOM 635 CG1 ILE A 40 2.621 1.393 9.508 1.00 0.00 C ATOM 636 CG2 ILE A 40 3.779 3.541 9.749 1.00 0.00 C ATOM 637 CD1 ILE A 40 2.779 0.003 8.934 1.00 0.00 C ATOM 0 H ILE A 40 4.158 1.155 6.571 1.00 0.00 H new ATOM 0 HA ILE A 40 1.907 2.772 7.415 1.00 0.00 H new ATOM 0 HB ILE A 40 4.535 1.928 8.535 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.848 1.386 10.574 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.588 1.726 9.404 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.176 3.166 10.693 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.485 4.247 9.313 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.828 4.043 9.929 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.111 -0.683 9.454 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.531 0.017 7.873 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.810 -0.328 9.061 1.00 0.00 H new ATOM 649 N SER A 41 4.717 4.138 6.377 1.00 0.00 N ATOM 650 CA SER A 41 5.514 5.336 6.383 1.00 0.00 C ATOM 651 C SER A 41 5.009 6.371 5.363 1.00 0.00 C ATOM 652 O SER A 41 5.395 7.541 5.391 1.00 0.00 O ATOM 653 CB SER A 41 6.974 4.952 6.135 1.00 0.00 C ATOM 654 OG SER A 41 7.834 5.304 7.196 1.00 0.00 O ATOM 0 H SER A 41 5.136 3.351 5.881 1.00 0.00 H new ATOM 0 HA SER A 41 5.429 5.818 7.357 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.036 3.877 5.969 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.319 5.436 5.221 1.00 0.00 H new ATOM 0 HG SER A 41 8.676 4.809 7.112 1.00 0.00 H new ATOM 660 N VAL A 42 4.181 5.926 4.415 1.00 0.00 N ATOM 661 CA VAL A 42 3.799 6.667 3.221 1.00 0.00 C ATOM 662 C VAL A 42 2.319 6.955 3.196 1.00 0.00 C ATOM 663 O VAL A 42 1.891 8.063 2.857 1.00 0.00 O ATOM 664 CB VAL A 42 4.289 5.911 2.008 1.00 0.00 C ATOM 665 CG1 VAL A 42 3.620 4.616 1.576 1.00 0.00 C ATOM 666 CG2 VAL A 42 4.337 6.817 0.809 1.00 0.00 C ATOM 0 H VAL A 42 3.745 5.005 4.464 1.00 0.00 H new ATOM 0 HA VAL A 42 4.273 7.649 3.220 1.00 0.00 H new ATOM 0 HB VAL A 42 5.259 5.578 2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.117 4.229 0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.692 3.883 2.380 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.570 4.806 1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.692 6.257 -0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.339 7.205 0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.015 7.647 1.007 1.00 0.00 H new ATOM 676 N THR A 43 1.532 5.923 3.460 1.00 0.00 N ATOM 677 CA THR A 43 0.115 6.076 3.602 1.00 0.00 C ATOM 678 C THR A 43 -0.185 6.736 4.938 1.00 0.00 C ATOM 679 O THR A 43 0.495 6.557 5.935 1.00 0.00 O ATOM 680 CB THR A 43 -0.584 4.720 3.468 1.00 0.00 C ATOM 681 OG1 THR A 43 0.291 3.634 3.284 1.00 0.00 O ATOM 682 CG2 THR A 43 -1.418 4.681 2.212 1.00 0.00 C ATOM 0 H THR A 43 1.867 4.967 3.579 1.00 0.00 H new ATOM 0 HA THR A 43 -0.270 6.716 2.808 1.00 0.00 H new ATOM 0 HB THR A 43 -1.143 4.627 4.399 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.519 3.247 4.155 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.908 3.711 2.131 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.172 5.467 2.252 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.777 4.837 1.344 1.00 0.00 H new ATOM 690 N GLU A 44 -1.288 7.466 4.945 1.00 0.00 N ATOM 691 CA GLU A 44 -1.928 8.054 6.065 1.00 0.00 C ATOM 692 C GLU A 44 -3.017 7.112 6.603 1.00 0.00 C ATOM 693 O GLU A 44 -3.745 7.489 7.513 1.00 0.00 O ATOM 694 CB GLU A 44 -2.452 9.453 5.688 1.00 0.00 C ATOM 695 CG GLU A 44 -1.331 10.481 5.416 1.00 0.00 C ATOM 696 CD GLU A 44 -1.883 11.786 4.825 1.00 0.00 C ATOM 697 OE1 GLU A 44 -2.899 12.308 5.336 1.00 0.00 O ATOM 698 OE2 GLU A 44 -1.436 12.197 3.730 1.00 0.00 O ATOM 0 H GLU A 44 -1.787 7.668 4.079 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.218 8.196 6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.080 9.370 4.801 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.086 9.824 6.494 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.804 10.698 6.345 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.603 10.051 4.729 1.00 0.00 H new ATOM 705 N HIS A 45 -3.181 5.926 5.992 1.00 0.00 N ATOM 706 CA HIS A 45 -4.239 4.968 6.276 1.00 0.00 C ATOM 707 C HIS A 45 -3.979 4.360 7.672 1.00 0.00 C ATOM 708 O HIS A 45 -3.098 3.512 7.797 1.00 0.00 O ATOM 709 CB HIS A 45 -4.322 3.899 5.159 1.00 0.00 C ATOM 710 CG HIS A 45 -5.540 3.002 5.359 1.00 0.00 C ATOM 711 ND1 HIS A 45 -5.733 2.234 6.489 1.00 0.00 N ATOM 712 CD2 HIS A 45 -6.695 2.898 4.604 1.00 0.00 C ATOM 713 CE1 HIS A 45 -6.991 1.770 6.472 1.00 0.00 C ATOM 714 NE2 HIS A 45 -7.608 2.147 5.347 1.00 0.00 N ATOM 0 H HIS A 45 -2.549 5.605 5.258 1.00 0.00 H new ATOM 0 HA HIS A 45 -5.212 5.460 6.291 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.379 4.387 4.186 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.415 3.294 5.160 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.860 3.319 3.623 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.441 1.177 7.254 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.568 1.927 5.081 1.00 0.00 H new ATOM 722 N PRO A 46 -4.736 4.730 8.721 1.00 0.00 N ATOM 723 CA PRO A 46 -4.367 4.520 10.120 1.00 0.00 C ATOM 724 C PRO A 46 -4.232 3.049 10.506 1.00 0.00 C ATOM 725 O PRO A 46 -3.400 2.714 11.342 1.00 0.00 O ATOM 726 CB PRO A 46 -5.459 5.218 10.945 1.00 0.00 C ATOM 727 CG PRO A 46 -6.642 5.359 9.982 1.00 0.00 C ATOM 728 CD PRO A 46 -5.957 5.494 8.638 1.00 0.00 C ATOM 0 HA PRO A 46 -3.377 4.934 10.309 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.730 4.630 11.822 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.123 6.190 11.305 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.299 4.490 10.017 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.253 6.231 10.215 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.595 5.119 7.838 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.746 6.540 8.414 1.00 0.00 H new ATOM 736 N SER A 47 -5.049 2.180 9.914 1.00 0.00 N ATOM 737 CA SER A 47 -5.051 0.748 10.172 1.00 0.00 C ATOM 738 C SER A 47 -3.782 0.050 9.651 1.00 0.00 C ATOM 739 O SER A 47 -3.488 -1.068 10.069 1.00 0.00 O ATOM 740 CB SER A 47 -6.303 0.177 9.499 1.00 0.00 C ATOM 741 OG SER A 47 -7.434 1.007 9.727 1.00 0.00 O ATOM 0 H SER A 47 -5.745 2.463 9.224 1.00 0.00 H new ATOM 0 HA SER A 47 -5.061 0.570 11.247 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.130 0.080 8.427 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.500 -0.824 9.882 1.00 0.00 H new ATOM 0 HG SER A 47 -8.218 0.620 9.285 1.00 0.00 H new ATOM 747 N GLY A 48 -3.023 0.689 8.747 1.00 0.00 N ATOM 748 CA GLY A 48 -1.842 0.110 8.125 1.00 0.00 C ATOM 749 C GLY A 48 -2.081 -1.330 7.686 1.00 0.00 C ATOM 750 O GLY A 48 -3.013 -1.642 6.941 1.00 0.00 O ATOM 0 H GLY A 48 -3.224 1.637 8.429 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.555 0.710 7.262 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.009 0.142 8.827 1.00 0.00 H new ATOM 754 N SER A 49 -1.217 -2.191 8.205 1.00 0.00 N ATOM 755 CA SER A 49 -1.119 -3.628 7.993 1.00 0.00 C ATOM 756 C SER A 49 -2.407 -4.427 8.249 1.00 0.00 C ATOM 757 O SER A 49 -2.461 -5.590 7.854 1.00 0.00 O ATOM 758 CB SER A 49 0.038 -4.143 8.861 1.00 0.00 C ATOM 759 OG SER A 49 0.036 -3.552 10.153 1.00 0.00 O ATOM 0 H SER A 49 -0.495 -1.868 8.849 1.00 0.00 H new ATOM 0 HA SER A 49 -0.935 -3.788 6.931 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.035 -5.226 8.957 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.986 -3.930 8.366 1.00 0.00 H new ATOM 0 HG SER A 49 0.786 -3.906 10.676 1.00 0.00 H new ATOM 765 N ASP A 50 -3.453 -3.858 8.851 1.00 0.00 N ATOM 766 CA ASP A 50 -4.748 -4.491 9.004 1.00 0.00 C ATOM 767 C ASP A 50 -5.277 -4.921 7.635 1.00 0.00 C ATOM 768 O ASP A 50 -5.807 -6.013 7.489 1.00 0.00 O ATOM 769 CB ASP A 50 -5.692 -3.458 9.623 1.00 0.00 C ATOM 770 CG ASP A 50 -5.720 -3.388 11.157 1.00 0.00 C ATOM 771 OD1 ASP A 50 -5.126 -4.274 11.813 1.00 0.00 O ATOM 772 OD2 ASP A 50 -6.356 -2.432 11.662 1.00 0.00 O ATOM 0 H ASP A 50 -3.414 -2.921 9.253 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.674 -5.374 9.638 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.419 -2.474 9.241 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.703 -3.666 9.272 1.00 0.00 H new ATOM 777 N LEU A 51 -5.071 -4.122 6.588 1.00 0.00 N ATOM 778 CA LEU A 51 -5.563 -4.413 5.242 1.00 0.00 C ATOM 779 C LEU A 51 -4.847 -5.613 4.614 1.00 0.00 C ATOM 780 O LEU A 51 -5.349 -6.163 3.635 1.00 0.00 O ATOM 781 CB LEU A 51 -5.352 -3.152 4.399 1.00 0.00 C ATOM 782 CG LEU A 51 -6.414 -2.052 4.606 1.00 0.00 C ATOM 783 CD1 LEU A 51 -6.747 -1.683 6.058 1.00 0.00 C ATOM 784 CD2 LEU A 51 -5.901 -0.797 3.907 1.00 0.00 C ATOM 0 H LEU A 51 -4.553 -3.246 6.651 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.619 -4.681 5.287 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.370 -2.738 4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.341 -3.433 3.346 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.342 -2.454 4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.505 -0.900 6.070 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.125 -2.562 6.579 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.847 -1.324 6.558 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.625 0.009 4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.949 -0.499 4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.763 -1.003 2.846 1.00 0.00 H new ATOM 796 N ILE A 52 -3.695 -6.007 5.165 1.00 0.00 N ATOM 797 CA ILE A 52 -2.881 -7.134 4.725 1.00 0.00 C ATOM 798 C ILE A 52 -3.319 -8.404 5.482 1.00 0.00 C ATOM 799 O ILE A 52 -3.254 -9.493 4.915 1.00 0.00 O ATOM 800 CB ILE A 52 -1.391 -6.776 4.888 1.00 0.00 C ATOM 801 CG1 ILE A 52 -0.994 -5.544 4.037 1.00 0.00 C ATOM 802 CG2 ILE A 52 -0.391 -7.905 4.587 1.00 0.00 C ATOM 803 CD1 ILE A 52 0.374 -4.957 4.408 1.00 0.00 C ATOM 0 H ILE A 52 -3.290 -5.524 5.967 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.028 -7.348 3.666 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.315 -6.562 5.954 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.985 -5.827 2.985 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.755 -4.772 4.153 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.625 -7.540 4.734 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.576 -8.744 5.258 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.512 -8.233 3.555 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.586 -4.098 3.772 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.364 -4.642 5.451 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.146 -5.714 4.265 1.00 0.00 H new ATOM 815 N TYR A 53 -3.776 -8.294 6.741 1.00 0.00 N ATOM 816 CA TYR A 53 -3.913 -9.422 7.651 1.00 0.00 C ATOM 817 C TYR A 53 -5.327 -9.632 8.206 1.00 0.00 C ATOM 818 O TYR A 53 -5.722 -10.774 8.447 1.00 0.00 O ATOM 819 CB TYR A 53 -2.944 -9.164 8.808 1.00 0.00 C ATOM 820 CG TYR A 53 -1.466 -9.253 8.459 1.00 0.00 C ATOM 821 CD1 TYR A 53 -0.952 -10.411 7.843 1.00 0.00 C ATOM 822 CD2 TYR A 53 -0.599 -8.189 8.775 1.00 0.00 C ATOM 823 CE1 TYR A 53 0.420 -10.509 7.553 1.00 0.00 C ATOM 824 CE2 TYR A 53 0.776 -8.277 8.487 1.00 0.00 C ATOM 825 CZ TYR A 53 1.290 -9.447 7.881 1.00 0.00 C ATOM 826 OH TYR A 53 2.619 -9.577 7.624 1.00 0.00 O ATOM 0 H TYR A 53 -4.061 -7.405 7.151 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.693 -10.333 7.095 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.145 -8.172 9.212 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.155 -9.880 9.602 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.614 -11.226 7.593 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.992 -7.298 9.242 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.809 -11.398 7.079 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.435 -7.456 8.727 1.00 0.00 H new ATOM 0 HH TYR A 53 2.746 -10.159 6.846 1.00 0.00 H new ATOM 836 N TYR A 54 -6.087 -8.561 8.420 1.00 0.00 N ATOM 837 CA TYR A 54 -7.401 -8.519 9.055 1.00 0.00 C ATOM 838 C TYR A 54 -8.317 -7.642 8.177 1.00 0.00 C ATOM 839 O TYR A 54 -8.715 -6.552 8.589 1.00 0.00 O ATOM 840 CB TYR A 54 -7.255 -7.987 10.498 1.00 0.00 C ATOM 841 CG TYR A 54 -6.171 -8.646 11.342 1.00 0.00 C ATOM 842 CD1 TYR A 54 -6.080 -10.049 11.429 1.00 0.00 C ATOM 843 CD2 TYR A 54 -5.221 -7.848 12.009 1.00 0.00 C ATOM 844 CE1 TYR A 54 -5.025 -10.654 12.134 1.00 0.00 C ATOM 845 CE2 TYR A 54 -4.173 -8.443 12.734 1.00 0.00 C ATOM 846 CZ TYR A 54 -4.062 -9.849 12.785 1.00 0.00 C ATOM 847 OH TYR A 54 -3.020 -10.427 13.445 1.00 0.00 O ATOM 0 H TYR A 54 -5.778 -7.632 8.133 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.850 -9.509 9.134 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.052 -6.917 10.452 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.210 -8.109 11.008 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.827 -10.665 10.950 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.298 -6.772 11.963 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.950 -11.731 12.178 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -3.454 -7.825 13.251 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.452 -9.730 13.834 1.00 0.00 H new ATOM 857 N PRO A 55 -8.597 -8.071 6.933 1.00 0.00 N ATOM 858 CA PRO A 55 -9.125 -7.200 5.892 1.00 0.00 C ATOM 859 C PRO A 55 -10.593 -6.795 6.089 1.00 0.00 C ATOM 860 O PRO A 55 -11.331 -7.364 6.894 1.00 0.00 O ATOM 861 CB PRO A 55 -8.948 -8.004 4.605 1.00 0.00 C ATOM 862 CG PRO A 55 -9.032 -9.443 5.049 1.00 0.00 C ATOM 863 CD PRO A 55 -8.291 -9.383 6.380 1.00 0.00 C ATOM 0 HA PRO A 55 -8.596 -6.247 5.891 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.724 -7.766 3.878 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.990 -7.789 4.131 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.062 -9.779 5.166 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.554 -10.121 4.342 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.620 -10.178 7.049 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.218 -9.509 6.238 1.00 0.00 H new ATOM 871 N GLU A 56 -11.006 -5.825 5.268 1.00 0.00 N ATOM 872 CA GLU A 56 -12.382 -5.416 5.017 1.00 0.00 C ATOM 873 C GLU A 56 -13.158 -6.503 4.262 1.00 0.00 C ATOM 874 O GLU A 56 -12.720 -7.639 4.081 1.00 0.00 O ATOM 875 CB GLU A 56 -12.375 -4.099 4.200 1.00 0.00 C ATOM 876 CG GLU A 56 -13.043 -2.905 4.893 1.00 0.00 C ATOM 877 CD GLU A 56 -14.576 -2.997 4.897 1.00 0.00 C ATOM 878 OE1 GLU A 56 -15.128 -3.447 3.864 1.00 0.00 O ATOM 879 OE2 GLU A 56 -15.190 -2.671 5.935 1.00 0.00 O ATOM 0 H GLU A 56 -10.341 -5.271 4.728 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.882 -5.259 5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.342 -3.836 3.971 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.877 -4.276 3.249 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.685 -2.841 5.921 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.741 -1.985 4.392 1.00 0.00 H new ATOM 886 N GLY A 57 -14.323 -6.088 3.784 1.00 0.00 N ATOM 887 CA GLY A 57 -15.264 -6.839 2.963 1.00 0.00 C ATOM 888 C GLY A 57 -15.464 -6.249 1.574 1.00 0.00 C ATOM 889 O GLY A 57 -15.914 -6.944 0.665 1.00 0.00 O ATOM 0 H GLY A 57 -14.661 -5.145 3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -14.910 -7.865 2.866 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -16.226 -6.881 3.473 1.00 0.00 H new ATOM 893 N ASN A 58 -15.091 -4.985 1.402 1.00 0.00 N ATOM 894 CA ASN A 58 -14.785 -4.405 0.091 1.00 0.00 C ATOM 895 C ASN A 58 -13.501 -5.031 -0.479 1.00 0.00 C ATOM 896 O ASN A 58 -13.249 -4.977 -1.683 1.00 0.00 O ATOM 897 CB ASN A 58 -14.556 -2.896 0.232 1.00 0.00 C ATOM 898 CG ASN A 58 -14.476 -2.210 -1.109 1.00 0.00 C ATOM 899 OD1 ASN A 58 -15.405 -2.251 -1.913 1.00 0.00 O ATOM 900 ND2 ASN A 58 -13.434 -1.446 -1.330 1.00 0.00 N ATOM 0 H ASN A 58 -14.991 -4.325 2.173 1.00 0.00 H new ATOM 0 HA ASN A 58 -15.625 -4.602 -0.576 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -15.367 -2.459 0.815 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.634 -2.719 0.786 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -13.388 -0.878 -2.176 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.669 -1.420 -0.656 1.00 0.00 H new ATOM 907 N ASN A 59 -12.692 -5.607 0.413 1.00 0.00 N ATOM 908 CA ASN A 59 -11.354 -6.111 0.169 1.00 0.00 C ATOM 909 C ASN A 59 -11.454 -7.391 -0.651 1.00 0.00 C ATOM 910 O ASN A 59 -11.858 -8.427 -0.125 1.00 0.00 O ATOM 911 CB ASN A 59 -10.647 -6.291 1.523 1.00 0.00 C ATOM 912 CG ASN A 59 -9.166 -6.532 1.445 1.00 0.00 C ATOM 913 OD1 ASN A 59 -8.667 -7.281 0.614 1.00 0.00 O ATOM 914 ND2 ASN A 59 -8.474 -6.008 2.438 1.00 0.00 N ATOM 0 H ASN A 59 -12.979 -5.738 1.383 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.751 -5.415 -0.414 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.823 -5.401 2.127 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.108 -7.128 2.047 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.482 -6.222 2.537 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.931 -5.389 3.107 1.00 0.00 H new ATOM 921 N ASP A 60 -11.105 -7.341 -1.942 1.00 0.00 N ATOM 922 CA ASP A 60 -11.132 -8.501 -2.837 1.00 0.00 C ATOM 923 C ASP A 60 -9.859 -9.340 -2.689 1.00 0.00 C ATOM 924 O ASP A 60 -9.451 -10.055 -3.607 1.00 0.00 O ATOM 925 CB ASP A 60 -11.541 -8.145 -4.285 1.00 0.00 C ATOM 926 CG ASP A 60 -10.557 -7.390 -5.191 1.00 0.00 C ATOM 927 OD1 ASP A 60 -9.539 -6.820 -4.741 1.00 0.00 O ATOM 928 OD2 ASP A 60 -10.880 -7.223 -6.389 1.00 0.00 O ATOM 0 H ASP A 60 -10.793 -6.484 -2.398 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.942 -9.158 -2.520 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.798 -9.077 -4.789 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.453 -7.551 -4.229 1.00 0.00 H new ATOM 933 N GLY A 61 -9.234 -9.267 -1.507 1.00 0.00 N ATOM 934 CA GLY A 61 -8.215 -10.182 -1.009 1.00 0.00 C ATOM 935 C GLY A 61 -6.896 -10.088 -1.762 1.00 0.00 C ATOM 936 O GLY A 61 -6.016 -10.927 -1.579 1.00 0.00 O ATOM 0 H GLY A 61 -9.442 -8.524 -0.840 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.037 -9.976 0.047 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.591 -11.203 -1.076 1.00 0.00 H new ATOM 940 N SER A 62 -6.770 -9.103 -2.644 1.00 0.00 N ATOM 941 CA SER A 62 -5.734 -8.996 -3.626 1.00 0.00 C ATOM 942 C SER A 62 -4.821 -7.809 -3.283 1.00 0.00 C ATOM 943 O SER A 62 -5.230 -6.921 -2.537 1.00 0.00 O ATOM 944 CB SER A 62 -6.518 -8.791 -4.919 1.00 0.00 C ATOM 945 OG SER A 62 -7.255 -9.946 -5.276 1.00 0.00 O ATOM 0 H SER A 62 -7.429 -8.325 -2.683 1.00 0.00 H new ATOM 0 HA SER A 62 -5.069 -9.857 -3.690 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.198 -7.948 -4.802 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.830 -8.536 -5.725 1.00 0.00 H new ATOM 0 HG SER A 62 -8.045 -10.020 -4.701 1.00 0.00 H new ATOM 951 N PRO A 63 -3.630 -7.678 -3.891 1.00 0.00 N ATOM 952 CA PRO A 63 -2.820 -6.467 -3.734 1.00 0.00 C ATOM 953 C PRO A 63 -3.560 -5.226 -4.257 1.00 0.00 C ATOM 954 O PRO A 63 -3.441 -4.112 -3.756 1.00 0.00 O ATOM 955 CB PRO A 63 -1.522 -6.760 -4.494 1.00 0.00 C ATOM 956 CG PRO A 63 -1.912 -7.828 -5.516 1.00 0.00 C ATOM 957 CD PRO A 63 -3.002 -8.620 -4.802 1.00 0.00 C ATOM 0 HA PRO A 63 -2.613 -6.234 -2.689 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.137 -5.865 -4.982 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.741 -7.118 -3.823 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.279 -7.384 -6.441 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.064 -8.460 -5.780 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.725 -9.021 -5.512 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.581 -9.468 -4.262 1.00 0.00 H new ATOM 965 N GLU A 64 -4.423 -5.456 -5.231 1.00 0.00 N ATOM 966 CA GLU A 64 -5.433 -4.596 -5.762 1.00 0.00 C ATOM 967 C GLU A 64 -6.311 -4.070 -4.661 1.00 0.00 C ATOM 968 O GLU A 64 -6.428 -2.858 -4.529 1.00 0.00 O ATOM 969 CB GLU A 64 -6.239 -5.477 -6.709 1.00 0.00 C ATOM 970 CG GLU A 64 -5.831 -5.187 -8.133 1.00 0.00 C ATOM 971 CD GLU A 64 -6.603 -3.962 -8.641 1.00 0.00 C ATOM 972 OE1 GLU A 64 -7.858 -3.993 -8.616 1.00 0.00 O ATOM 973 OE2 GLU A 64 -5.926 -2.947 -8.930 1.00 0.00 O ATOM 0 H GLU A 64 -4.421 -6.355 -5.714 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.008 -3.728 -6.267 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.070 -6.529 -6.478 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.305 -5.290 -6.579 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.758 -5.003 -8.186 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.038 -6.050 -8.766 1.00 0.00 H new ATOM 980 N ALA A 65 -6.910 -4.972 -3.886 1.00 0.00 N ATOM 981 CA ALA A 65 -7.804 -4.641 -2.798 1.00 0.00 C ATOM 982 C ALA A 65 -7.165 -3.632 -1.878 1.00 0.00 C ATOM 983 O ALA A 65 -7.839 -2.698 -1.463 1.00 0.00 O ATOM 984 CB ALA A 65 -8.148 -5.880 -1.984 1.00 0.00 C ATOM 0 H ALA A 65 -6.778 -5.976 -4.007 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.712 -4.225 -3.235 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.821 -5.606 -1.172 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.634 -6.614 -2.627 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.235 -6.308 -1.570 1.00 0.00 H new ATOM 990 N VAL A 66 -5.866 -3.773 -1.616 1.00 0.00 N ATOM 991 CA VAL A 66 -5.249 -2.818 -0.703 1.00 0.00 C ATOM 992 C VAL A 66 -5.157 -1.460 -1.396 1.00 0.00 C ATOM 993 O VAL A 66 -5.456 -0.451 -0.771 1.00 0.00 O ATOM 994 CB VAL A 66 -3.885 -3.312 -0.222 1.00 0.00 C ATOM 995 CG1 VAL A 66 -3.242 -2.327 0.741 1.00 0.00 C ATOM 996 CG2 VAL A 66 -3.928 -4.714 0.413 1.00 0.00 C ATOM 0 H VAL A 66 -5.253 -4.494 -1.997 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.867 -2.714 0.189 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.273 -3.387 -1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.274 -2.711 1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.104 -1.368 0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.886 -2.195 1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.926 -5.000 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.593 -4.702 1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.296 -5.434 -0.318 1.00 0.00 H new ATOM 1006 N ILE A 67 -4.782 -1.381 -2.679 1.00 0.00 N ATOM 1007 CA ILE A 67 -4.700 -0.075 -3.345 1.00 0.00 C ATOM 1008 C ILE A 67 -6.064 0.569 -3.346 1.00 0.00 C ATOM 1009 O ILE A 67 -6.190 1.767 -3.104 1.00 0.00 O ATOM 1010 CB ILE A 67 -4.147 -0.180 -4.795 1.00 0.00 C ATOM 1011 CG1 ILE A 67 -2.649 0.114 -4.764 1.00 0.00 C ATOM 1012 CG2 ILE A 67 -4.730 0.796 -5.828 1.00 0.00 C ATOM 1013 CD1 ILE A 67 -2.020 -0.979 -3.932 1.00 0.00 C ATOM 0 H ILE A 67 -4.537 -2.181 -3.263 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.996 0.542 -2.787 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.423 -1.186 -5.110 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.234 0.124 -5.772 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.454 1.094 -4.330 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.263 0.621 -6.797 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.806 0.640 -5.910 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.535 1.821 -5.511 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.943 -0.819 -3.875 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.443 -0.961 -2.928 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.219 -1.947 -4.392 1.00 0.00 H new ATOM 1025 N LYS A 68 -7.056 -0.242 -3.673 1.00 0.00 N ATOM 1026 CA LYS A 68 -8.457 0.116 -3.640 1.00 0.00 C ATOM 1027 C LYS A 68 -8.792 0.708 -2.292 1.00 0.00 C ATOM 1028 O LYS A 68 -9.228 1.845 -2.278 1.00 0.00 O ATOM 1029 CB LYS A 68 -9.316 -1.087 -4.040 1.00 0.00 C ATOM 1030 CG LYS A 68 -9.085 -1.344 -5.540 1.00 0.00 C ATOM 1031 CD LYS A 68 -10.035 -2.348 -6.205 1.00 0.00 C ATOM 1032 CE LYS A 68 -9.742 -3.763 -5.690 1.00 0.00 C ATOM 1033 NZ LYS A 68 -9.791 -4.791 -6.749 1.00 0.00 N ATOM 0 H LYS A 68 -6.898 -1.202 -3.979 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.681 0.889 -4.375 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.043 -1.965 -3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.369 -0.888 -3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.166 -0.394 -6.068 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.063 -1.698 -5.674 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.070 -2.080 -5.990 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.915 -2.313 -7.288 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.756 -3.776 -5.225 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.464 -4.016 -4.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.568 -5.721 -6.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.744 -4.815 -7.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.096 -4.562 -7.488 1.00 0.00 H new ATOM 1047 N GLU A 69 -8.483 0.063 -1.187 1.00 0.00 N ATOM 1048 CA GLU A 69 -8.702 0.571 0.136 1.00 0.00 C ATOM 1049 C GLU A 69 -7.906 1.840 0.445 1.00 0.00 C ATOM 1050 O GLU A 69 -8.352 2.654 1.244 1.00 0.00 O ATOM 1051 CB GLU A 69 -8.269 -0.565 1.055 1.00 0.00 C ATOM 1052 CG GLU A 69 -9.417 -1.193 1.846 1.00 0.00 C ATOM 1053 CD GLU A 69 -10.506 -1.840 0.974 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -11.235 -1.092 0.279 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -10.653 -3.079 1.032 1.00 0.00 O ATOM 0 H GLU A 69 -8.057 -0.864 -1.194 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.744 0.865 0.264 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.786 -1.339 0.458 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.522 -0.189 1.754 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.009 -1.948 2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.876 -0.426 2.470 1.00 0.00 H new ATOM 1062 N ILE A 70 -6.743 2.068 -0.168 1.00 0.00 N ATOM 1063 CA ILE A 70 -5.891 3.175 0.132 1.00 0.00 C ATOM 1064 C ILE A 70 -6.566 4.348 -0.547 1.00 0.00 C ATOM 1065 O ILE A 70 -6.908 5.330 0.108 1.00 0.00 O ATOM 1066 CB ILE A 70 -4.474 2.974 -0.354 1.00 0.00 C ATOM 1067 CG1 ILE A 70 -3.726 1.909 0.462 1.00 0.00 C ATOM 1068 CG2 ILE A 70 -3.770 4.326 -0.235 1.00 0.00 C ATOM 1069 CD1 ILE A 70 -4.298 1.171 1.676 1.00 0.00 C ATOM 0 H ILE A 70 -6.376 1.462 -0.902 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.776 3.321 1.206 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.485 2.616 -1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.436 1.136 -0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.808 2.386 0.806 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.739 4.231 -0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.289 5.062 -0.849 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.779 4.651 0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.555 0.473 2.061 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.555 1.892 2.452 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.192 0.623 1.380 1.00 0.00 H new ATOM 1081 N LYS A 71 -6.738 4.226 -1.876 1.00 0.00 N ATOM 1082 CA LYS A 71 -7.512 5.152 -2.686 1.00 0.00 C ATOM 1083 C LYS A 71 -8.755 5.471 -1.915 1.00 0.00 C ATOM 1084 O LYS A 71 -8.930 6.640 -1.593 1.00 0.00 O ATOM 1085 CB LYS A 71 -7.925 4.564 -4.047 1.00 0.00 C ATOM 1086 CG LYS A 71 -6.784 4.328 -5.036 1.00 0.00 C ATOM 1087 CD LYS A 71 -7.121 3.175 -5.996 1.00 0.00 C ATOM 1088 CE LYS A 71 -8.391 3.347 -6.837 1.00 0.00 C ATOM 1089 NZ LYS A 71 -8.143 4.158 -8.044 1.00 0.00 N ATOM 0 H LYS A 71 -6.330 3.463 -2.416 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.897 6.028 -2.890 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.434 3.616 -3.874 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.649 5.235 -4.508 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.597 5.238 -5.606 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.868 4.098 -4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.278 3.034 -6.672 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.217 2.260 -5.412 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.769 2.367 -7.129 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.165 3.821 -6.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.715 3.792 -8.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.403 5.147 -7.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.135 4.107 -8.296 1.00 0.00 H new ATOM 1103 N GLU A 72 -9.583 4.484 -1.599 1.00 0.00 N ATOM 1104 CA GLU A 72 -10.930 4.773 -1.271 1.00 0.00 C ATOM 1105 C GLU A 72 -11.140 5.111 0.204 1.00 0.00 C ATOM 1106 O GLU A 72 -12.113 5.783 0.520 1.00 0.00 O ATOM 1107 CB GLU A 72 -11.762 3.682 -1.915 1.00 0.00 C ATOM 1108 CG GLU A 72 -12.884 4.229 -2.772 1.00 0.00 C ATOM 1109 CD GLU A 72 -12.608 5.391 -3.764 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -11.518 5.429 -4.380 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -13.472 6.309 -3.874 1.00 0.00 O ATOM 0 H GLU A 72 -9.329 3.496 -1.569 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.285 5.716 -1.686 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.116 3.053 -2.528 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -12.183 3.045 -1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.285 3.397 -3.351 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.675 4.559 -2.098 1.00 0.00 H new ATOM 1118 N TRP A 73 -10.178 4.832 1.084 1.00 0.00 N ATOM 1119 CA TRP A 73 -10.048 5.474 2.382 1.00 0.00 C ATOM 1120 C TRP A 73 -9.675 6.921 2.224 1.00 0.00 C ATOM 1121 O TRP A 73 -10.377 7.767 2.783 1.00 0.00 O ATOM 1122 CB TRP A 73 -9.031 4.759 3.238 1.00 0.00 C ATOM 1123 CG TRP A 73 -8.895 5.356 4.591 1.00 0.00 C ATOM 1124 CD1 TRP A 73 -9.662 5.044 5.654 1.00 0.00 C ATOM 1125 CD2 TRP A 73 -7.973 6.385 5.033 1.00 0.00 C ATOM 1126 NE1 TRP A 73 -9.255 5.785 6.745 1.00 0.00 N ATOM 1127 CE2 TRP A 73 -8.237 6.655 6.406 1.00 0.00 C ATOM 1128 CE3 TRP A 73 -6.946 7.117 4.402 1.00 0.00 C ATOM 1129 CZ2 TRP A 73 -7.522 7.623 7.121 1.00 0.00 C ATOM 1130 CZ3 TRP A 73 -6.195 8.056 5.126 1.00 0.00 C ATOM 1131 CH2 TRP A 73 -6.495 8.326 6.465 1.00 0.00 C ATOM 0 H TRP A 73 -9.453 4.137 0.905 1.00 0.00 H new ATOM 0 HA TRP A 73 -11.015 5.419 2.882 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.317 3.712 3.335 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -8.063 4.780 2.738 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.469 4.326 5.653 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -9.654 5.701 7.680 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -6.736 6.954 3.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -7.754 7.826 8.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -5.379 8.574 4.645 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -5.935 9.079 6.999 1.00 0.00 H new ATOM 1142 N ARG A 74 -8.631 7.255 1.455 1.00 0.00 N ATOM 1143 CA ARG A 74 -8.354 8.655 1.195 1.00 0.00 C ATOM 1144 C ARG A 74 -9.590 9.276 0.551 1.00 0.00 C ATOM 1145 O ARG A 74 -9.890 10.438 0.792 1.00 0.00 O ATOM 1146 CB ARG A 74 -7.120 8.765 0.300 1.00 0.00 C ATOM 1147 CG ARG A 74 -5.861 8.094 0.867 1.00 0.00 C ATOM 1148 CD ARG A 74 -5.175 8.903 1.955 1.00 0.00 C ATOM 1149 NE ARG A 74 -4.615 10.167 1.458 1.00 0.00 N ATOM 1150 CZ ARG A 74 -4.156 11.141 2.249 1.00 0.00 C ATOM 1151 NH1 ARG A 74 -4.567 11.229 3.510 1.00 0.00 N ATOM 1152 NH2 ARG A 74 -3.268 12.000 1.775 1.00 0.00 N ATOM 0 H ARG A 74 -7.989 6.593 1.019 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.139 9.196 2.117 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.348 8.320 -0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.907 9.819 0.124 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.130 7.117 1.268 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.155 7.922 0.055 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.891 9.116 2.749 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.377 8.306 2.397 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.574 10.309 0.449 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.235 10.551 3.877 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.214 11.974 4.111 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.940 11.915 0.813 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.912 12.747 2.372 1.00 0.00 H new ATOM 1166 N ALA A 75 -10.342 8.512 -0.238 1.00 0.00 N ATOM 1167 CA ALA A 75 -11.505 8.938 -0.963 1.00 0.00 C ATOM 1168 C ALA A 75 -12.807 9.016 -0.178 1.00 0.00 C ATOM 1169 O ALA A 75 -13.709 9.729 -0.622 1.00 0.00 O ATOM 1170 CB ALA A 75 -11.689 8.087 -2.197 1.00 0.00 C ATOM 0 H ALA A 75 -10.132 7.525 -0.387 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.291 9.975 -1.224 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.574 8.419 -2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.813 8.183 -2.839 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.813 7.044 -1.905 1.00 0.00 H new ATOM 1176 N ALA A 76 -12.927 8.315 0.939 1.00 0.00 N ATOM 1177 CA ALA A 76 -13.955 8.562 1.927 1.00 0.00 C ATOM 1178 C ALA A 76 -13.541 9.763 2.762 1.00 0.00 C ATOM 1179 O ALA A 76 -14.395 10.548 3.166 1.00 0.00 O ATOM 1180 CB ALA A 76 -14.142 7.322 2.808 1.00 0.00 C ATOM 0 H ALA A 76 -12.301 7.548 1.184 1.00 0.00 H new ATOM 0 HA ALA A 76 -14.907 8.772 1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -14.917 7.516 3.549 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -14.437 6.476 2.187 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.205 7.091 3.315 1.00 0.00 H new ATOM 1186 N ASN A 77 -12.233 9.930 2.984 1.00 0.00 N ATOM 1187 CA ASN A 77 -11.730 11.018 3.803 1.00 0.00 C ATOM 1188 C ASN A 77 -11.807 12.365 3.082 1.00 0.00 C ATOM 1189 O ASN A 77 -11.907 13.406 3.725 1.00 0.00 O ATOM 1190 CB ASN A 77 -10.287 10.698 4.180 1.00 0.00 C ATOM 1191 CG ASN A 77 -10.210 9.986 5.518 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -10.032 10.601 6.558 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -10.377 8.677 5.510 1.00 0.00 N ATOM 0 H ASN A 77 -11.509 9.320 2.604 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.351 11.107 4.694 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.837 10.074 3.408 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.707 11.620 4.223 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.359 8.155 6.386 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -10.524 8.187 4.628 1.00 0.00 H new ATOM 1200 N GLY A 78 -11.747 12.353 1.749 1.00 0.00 N ATOM 1201 CA GLY A 78 -11.582 13.544 0.927 1.00 0.00 C ATOM 1202 C GLY A 78 -10.549 13.290 -0.165 1.00 0.00 C ATOM 1203 O GLY A 78 -9.461 13.864 -0.134 1.00 0.00 O ATOM 0 H GLY A 78 -11.814 11.494 1.203 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -12.536 13.820 0.478 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -11.267 14.383 1.548 1.00 0.00 H new ATOM 1207 N LYS A 79 -10.895 12.405 -1.112 1.00 0.00 N ATOM 1208 CA LYS A 79 -10.072 11.874 -2.174 1.00 0.00 C ATOM 1209 C LYS A 79 -8.833 12.679 -2.548 1.00 0.00 C ATOM 1210 O LYS A 79 -8.899 13.710 -3.205 1.00 0.00 O ATOM 1211 CB LYS A 79 -10.908 11.436 -3.378 1.00 0.00 C ATOM 1212 CG LYS A 79 -12.456 11.415 -3.339 1.00 0.00 C ATOM 1213 CD LYS A 79 -13.070 10.613 -4.515 1.00 0.00 C ATOM 1214 CE LYS A 79 -14.478 10.022 -4.254 1.00 0.00 C ATOM 1215 NZ LYS A 79 -14.518 8.814 -3.380 1.00 0.00 N ATOM 0 H LYS A 79 -11.839 12.020 -1.144 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.627 10.980 -1.738 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.623 12.081 -4.209 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.586 10.426 -3.633 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -12.786 10.980 -2.396 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.831 12.438 -3.367 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.124 11.264 -5.387 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.393 9.797 -4.768 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.099 10.796 -3.803 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.930 9.770 -5.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.487 8.439 -3.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.877 8.089 -3.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.217 9.071 -2.418 1.00 0.00 H new ATOM 1229 N SER A 80 -7.717 12.111 -2.117 1.00 0.00 N ATOM 1230 CA SER A 80 -6.352 12.582 -2.238 1.00 0.00 C ATOM 1231 C SER A 80 -5.478 11.326 -2.304 1.00 0.00 C ATOM 1232 O SER A 80 -4.970 10.843 -1.289 1.00 0.00 O ATOM 1233 CB SER A 80 -6.003 13.464 -1.034 1.00 0.00 C ATOM 1234 OG SER A 80 -6.835 14.608 -0.960 1.00 0.00 O ATOM 0 H SER A 80 -7.753 11.219 -1.624 1.00 0.00 H new ATOM 0 HA SER A 80 -6.198 13.195 -3.126 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.102 12.883 -0.117 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.961 13.776 -1.102 1.00 0.00 H new ATOM 0 HG SER A 80 -7.739 14.339 -0.693 1.00 0.00 H new ATOM 1240 N GLY A 81 -5.416 10.723 -3.489 1.00 0.00 N ATOM 1241 CA GLY A 81 -4.702 9.484 -3.754 1.00 0.00 C ATOM 1242 C GLY A 81 -3.248 9.764 -4.110 1.00 0.00 C ATOM 1243 O GLY A 81 -2.710 10.827 -3.798 1.00 0.00 O ATOM 0 H GLY A 81 -5.878 11.099 -4.317 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.749 8.837 -2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.185 8.948 -4.571 1.00 0.00 H new ATOM 1247 N PHE A 82 -2.626 8.786 -4.766 1.00 0.00 N ATOM 1248 CA PHE A 82 -1.321 8.892 -5.384 1.00 0.00 C ATOM 1249 C PHE A 82 -1.331 9.909 -6.515 1.00 0.00 C ATOM 1250 O PHE A 82 -2.256 10.710 -6.696 1.00 0.00 O ATOM 1251 CB PHE A 82 -0.831 7.506 -5.869 1.00 0.00 C ATOM 1252 CG PHE A 82 -1.469 6.305 -5.194 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -0.918 5.789 -4.012 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.605 5.696 -5.755 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -1.493 4.670 -3.388 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.180 4.577 -5.127 1.00 0.00 C ATOM 1257 CZ PHE A 82 -2.634 4.072 -3.935 1.00 0.00 C ATOM 0 H PHE A 82 -3.042 7.862 -4.882 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.616 9.249 -4.633 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.010 7.434 -6.942 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.248 7.451 -5.722 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.046 6.255 -3.579 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.035 6.086 -6.666 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.054 4.271 -2.485 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.047 4.103 -5.564 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.092 3.227 -3.443 1.00 0.00 H new ATOM 1267 N LYS A 83 -0.276 9.823 -7.317 1.00 0.00 N ATOM 1268 CA LYS A 83 -0.237 10.366 -8.642 1.00 0.00 C ATOM 1269 C LYS A 83 -1.544 10.089 -9.369 1.00 0.00 C ATOM 1270 O LYS A 83 -2.109 8.997 -9.283 1.00 0.00 O ATOM 1271 CB LYS A 83 0.883 9.687 -9.396 1.00 0.00 C ATOM 1272 CG LYS A 83 1.481 10.679 -10.423 1.00 0.00 C ATOM 1273 CD LYS A 83 2.455 11.688 -9.793 1.00 0.00 C ATOM 1274 CE LYS A 83 3.741 10.976 -9.365 1.00 0.00 C ATOM 1275 NZ LYS A 83 4.632 11.846 -8.567 1.00 0.00 N ATOM 0 H LYS A 83 0.590 9.359 -7.044 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.082 11.443 -8.587 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.655 9.354 -8.702 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.508 8.799 -9.906 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.001 10.118 -11.200 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.670 11.221 -10.909 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.687 12.477 -10.508 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.990 12.166 -8.931 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.486 10.091 -8.782 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.274 10.631 -10.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.580 11.421 -8.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.696 12.782 -9.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.248 11.948 -7.606 1.00 0.00 H new