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 8 SER OG : rot 170:sc= 0.558 USER MOD Set 1.2: A 80 SER OG : rot 149:sc= 0.619 USER MOD Set 2.1: A 45 HIS : no HD1:sc= -1.96 X(o=-2,f=-2) USER MOD Set 2.2: A 47 SER OG : rot 180:sc= 0.00889 USER MOD Set 3.1: A 25 CYS SG : rot -6:sc= 1.12 USER MOD Set 3.2: A 32 GLN : amide:sc= 0.509 K(o=1.6,f=0.42) USER MOD Set 4.1: A 10 TYR OH : rot -130:sc= -1.23 USER MOD Set 4.2: A 38 HIS : no HD1:sc= -0.579 K(o=-1.8,f=-11!) USER MOD Single : A 4 LYS NZ :NH3+ 154:sc= 0.729 (180deg=0.56) USER MOD Single : A 5 ASN : amide:sc= -0.226 X(o=-0.23,f=-0.23) USER MOD Single : A 6 SER OG : rot 180:sc= -0.0505 USER MOD Single : A 11 THR OG1 : rot -97:sc= 0.161 USER MOD Single : A 13 THR OG1 : rot -27:sc= 1.14 USER MOD Single : A 16 LYS NZ :NH3+ -144:sc= 2.06 (180deg=-0.293!) USER MOD Single : A 17 LYS NZ :NH3+ -157:sc= 1.65 (180deg=0.867) USER MOD Single : A 24 ASN : amide:sc= 1.22 K(o=1.2,f=-0.019) USER MOD Single : A 30 LYS NZ :NH3+ -159:sc= 2.01 (180deg=1.4) USER MOD Single : A 31 LYS NZ :NH3+ -145:sc= 0.385! (180deg=-0.0335!) USER MOD Single : A 35 ASN : amide:sc= -5.59! X(o=-5.6!,f=-5.4) USER MOD Single : A 41 SER OG : rot 101:sc= 1.29 USER MOD Single : A 43 THR OG1 : rot 158:sc= 1.19 USER MOD Single : A 49 SER OG : rot -90:sc= 0.742 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.896 K(o=-0.9,f=-2.5) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0271 USER MOD Single : A 68 LYS NZ :NH3+ 154:sc= 1.23 (180deg=1.15) USER MOD Single : A 71 LYS NZ :NH3+ 169:sc= 0.967 (180deg=0.857) USER MOD Single : A 77 ASN : amide:sc= 0.739 K(o=0.74,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -176:sc= 0.795 (180deg=0.63) USER MOD Single : A 83 LYS NZ :NH3+ -128:sc= 1.8 (180deg=-1.14!) USER MOD ----------------------------------------------------------------- ATOM 33 N LEU A 3 12.284 4.889 -2.151 1.00 0.00 N ATOM 34 CA LEU A 3 11.272 4.307 -2.986 1.00 0.00 C ATOM 35 C LEU A 3 10.055 5.226 -3.141 1.00 0.00 C ATOM 36 O LEU A 3 8.932 4.740 -3.111 1.00 0.00 O ATOM 37 CB LEU A 3 10.903 2.902 -2.481 1.00 0.00 C ATOM 38 CG LEU A 3 10.300 2.848 -1.088 1.00 0.00 C ATOM 39 CD1 LEU A 3 9.361 1.637 -1.038 1.00 0.00 C ATOM 40 CD2 LEU A 3 11.349 2.752 0.029 1.00 0.00 C ATOM 0 HA LEU A 3 11.680 4.193 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.197 2.456 -3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.800 2.282 -2.495 1.00 0.00 H new ATOM 0 HG LEU A 3 9.766 3.781 -0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.909 1.568 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.578 1.753 -1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.928 0.729 -1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.848 2.717 0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.942 1.847 -0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.003 3.623 -0.010 1.00 0.00 H new ATOM 52 N LYS A 4 10.274 6.529 -3.362 1.00 0.00 N ATOM 53 CA LYS A 4 9.332 7.597 -3.092 1.00 0.00 C ATOM 54 C LYS A 4 9.321 7.769 -1.579 1.00 0.00 C ATOM 55 O LYS A 4 10.024 7.098 -0.819 1.00 0.00 O ATOM 56 CB LYS A 4 8.000 7.425 -3.811 1.00 0.00 C ATOM 57 CG LYS A 4 7.986 6.923 -5.261 1.00 0.00 C ATOM 58 CD LYS A 4 8.885 7.678 -6.240 1.00 0.00 C ATOM 59 CE LYS A 4 8.644 7.139 -7.658 1.00 0.00 C ATOM 60 NZ LYS A 4 7.310 7.488 -8.185 1.00 0.00 N ATOM 0 H LYS A 4 11.153 6.871 -3.750 1.00 0.00 H new ATOM 0 HA LYS A 4 9.632 8.551 -3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.396 6.736 -3.220 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.492 8.389 -3.794 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.280 5.873 -5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.961 6.968 -5.630 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.670 8.746 -6.202 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.932 7.553 -5.963 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.408 7.535 -8.327 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.755 6.055 -7.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.342 7.510 -9.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.617 6.777 -7.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.029 8.424 -7.828 1.00 0.00 H new ATOM 74 N ASN A 5 8.678 8.850 -1.174 1.00 0.00 N ATOM 75 CA ASN A 5 8.691 9.339 0.192 1.00 0.00 C ATOM 76 C ASN A 5 7.342 9.970 0.508 1.00 0.00 C ATOM 77 O ASN A 5 7.112 10.416 1.629 1.00 0.00 O ATOM 78 CB ASN A 5 9.856 10.333 0.365 1.00 0.00 C ATOM 79 CG ASN A 5 9.956 10.896 1.778 1.00 0.00 C ATOM 80 OD1 ASN A 5 9.852 12.101 1.972 1.00 0.00 O ATOM 81 ND2 ASN A 5 10.185 10.055 2.774 1.00 0.00 N ATOM 0 H ASN A 5 8.118 9.426 -1.803 1.00 0.00 H new ATOM 0 HA ASN A 5 8.848 8.521 0.896 1.00 0.00 H new ATOM 0 HB2 ASN A 5 10.792 9.835 0.112 1.00 0.00 H new ATOM 0 HB3 ASN A 5 9.732 11.155 -0.340 1.00 0.00 H new ATOM 0 HD21 ASN A 5 10.279 10.406 3.727 1.00 0.00 H new ATOM 0 HD22 ASN A 5 10.268 9.055 2.589 1.00 0.00 H new ATOM 88 N SER A 6 6.411 10.035 -0.453 1.00 0.00 N ATOM 89 CA SER A 6 5.057 10.409 -0.107 1.00 0.00 C ATOM 90 C SER A 6 4.096 9.752 -1.048 1.00 0.00 C ATOM 91 O SER A 6 4.410 9.710 -2.234 1.00 0.00 O ATOM 92 CB SER A 6 4.899 11.903 -0.243 1.00 0.00 C ATOM 93 OG SER A 6 5.993 12.665 0.233 1.00 0.00 O ATOM 0 H SER A 6 6.573 9.839 -1.441 1.00 0.00 H new ATOM 0 HA SER A 6 4.855 10.096 0.917 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.739 12.142 -1.294 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.001 12.209 0.294 1.00 0.00 H new ATOM 0 HG SER A 6 5.808 13.619 0.105 1.00 0.00 H new ATOM 99 N ILE A 7 2.930 9.345 -0.534 1.00 0.00 N ATOM 100 CA ILE A 7 1.874 8.639 -1.250 1.00 0.00 C ATOM 101 C ILE A 7 1.652 9.258 -2.616 1.00 0.00 C ATOM 102 O ILE A 7 1.549 8.536 -3.598 1.00 0.00 O ATOM 103 CB ILE A 7 0.598 8.592 -0.385 1.00 0.00 C ATOM 104 CG1 ILE A 7 0.406 7.187 0.186 1.00 0.00 C ATOM 105 CG2 ILE A 7 -0.701 9.044 -1.060 1.00 0.00 C ATOM 106 CD1 ILE A 7 -0.110 6.098 -0.750 1.00 0.00 C ATOM 0 H ILE A 7 2.690 9.510 0.444 1.00 0.00 H new ATOM 0 HA ILE A 7 2.173 7.606 -1.431 1.00 0.00 H new ATOM 0 HB ILE A 7 0.780 9.330 0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.364 6.856 0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.284 7.260 1.027 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.526 8.966 -0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.600 10.079 -1.386 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.903 8.409 -1.923 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.194 5.159 -0.204 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.089 6.383 -1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.584 5.973 -1.581 1.00 0.00 H new ATOM 118 N SER A 8 1.651 10.586 -2.693 1.00 0.00 N ATOM 119 CA SER A 8 1.361 11.330 -3.895 1.00 0.00 C ATOM 120 C SER A 8 2.408 11.188 -4.998 1.00 0.00 C ATOM 121 O SER A 8 2.205 11.719 -6.097 1.00 0.00 O ATOM 122 CB SER A 8 1.045 12.783 -3.503 1.00 0.00 C ATOM 123 OG SER A 8 1.178 13.083 -2.108 1.00 0.00 O ATOM 0 H SER A 8 1.859 11.183 -1.892 1.00 0.00 H new ATOM 0 HA SER A 8 0.480 10.895 -4.368 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.704 13.445 -4.065 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.025 13.012 -3.811 1.00 0.00 H new ATOM 0 HG SER A 8 1.117 14.052 -1.975 1.00 0.00 H new ATOM 129 N ASP A 9 3.481 10.435 -4.753 1.00 0.00 N ATOM 130 CA ASP A 9 4.389 9.997 -5.790 1.00 0.00 C ATOM 131 C ASP A 9 4.267 8.523 -6.154 1.00 0.00 C ATOM 132 O ASP A 9 4.773 8.144 -7.203 1.00 0.00 O ATOM 133 CB ASP A 9 5.833 10.425 -5.508 1.00 0.00 C ATOM 134 CG ASP A 9 6.390 10.919 -6.852 1.00 0.00 C ATOM 135 OD1 ASP A 9 5.913 11.990 -7.305 1.00 0.00 O ATOM 136 OD2 ASP A 9 7.140 10.173 -7.516 1.00 0.00 O ATOM 0 H ASP A 9 3.738 10.115 -3.819 1.00 0.00 H new ATOM 0 HA ASP A 9 4.070 10.521 -6.691 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.868 11.213 -4.756 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.420 9.591 -5.123 1.00 0.00 H new ATOM 141 N TYR A 10 3.550 7.701 -5.386 1.00 0.00 N ATOM 142 CA TYR A 10 3.431 6.272 -5.592 1.00 0.00 C ATOM 143 C TYR A 10 2.259 5.982 -6.508 1.00 0.00 C ATOM 144 O TYR A 10 1.274 5.413 -6.043 1.00 0.00 O ATOM 145 CB TYR A 10 3.132 5.597 -4.259 1.00 0.00 C ATOM 146 CG TYR A 10 4.231 5.563 -3.261 1.00 0.00 C ATOM 147 CD1 TYR A 10 4.468 6.710 -2.511 1.00 0.00 C ATOM 148 CD2 TYR A 10 4.975 4.395 -3.058 1.00 0.00 C ATOM 149 CE1 TYR A 10 5.525 6.739 -1.606 1.00 0.00 C ATOM 150 CE2 TYR A 10 6.045 4.410 -2.159 1.00 0.00 C ATOM 151 CZ TYR A 10 6.332 5.600 -1.460 1.00 0.00 C ATOM 152 OH TYR A 10 7.441 5.717 -0.708 1.00 0.00 O ATOM 0 H TYR A 10 3.022 8.031 -4.578 1.00 0.00 H new ATOM 0 HA TYR A 10 4.361 5.903 -6.024 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.279 6.103 -3.807 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.825 4.571 -4.460 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.834 7.576 -2.631 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.724 3.490 -3.591 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.722 7.627 -1.023 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.642 3.524 -2.002 1.00 0.00 H new ATOM 0 HH TYR A 10 8.209 5.359 -1.200 1.00 0.00 H new ATOM 162 N THR A 11 2.336 6.427 -7.763 1.00 0.00 N ATOM 163 CA THR A 11 1.470 6.086 -8.884 1.00 0.00 C ATOM 164 C THR A 11 0.843 4.761 -8.585 1.00 0.00 C ATOM 165 O THR A 11 1.507 3.839 -8.107 1.00 0.00 O ATOM 166 CB THR A 11 2.171 5.941 -10.242 1.00 0.00 C ATOM 167 OG1 THR A 11 3.133 4.927 -10.245 1.00 0.00 O ATOM 168 CG2 THR A 11 2.904 7.170 -10.730 1.00 0.00 C ATOM 0 H THR A 11 3.063 7.086 -8.040 1.00 0.00 H new ATOM 0 HA THR A 11 0.768 6.915 -8.978 1.00 0.00 H new ATOM 0 HB THR A 11 1.329 5.727 -10.900 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.020 5.317 -10.098 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.363 6.960 -11.696 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.200 7.996 -10.834 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.678 7.441 -10.012 1.00 0.00 H new ATOM 176 N GLU A 12 -0.446 4.710 -8.802 1.00 0.00 N ATOM 177 CA GLU A 12 -1.229 3.648 -8.181 1.00 0.00 C ATOM 178 C GLU A 12 -0.653 2.250 -8.489 1.00 0.00 C ATOM 179 O GLU A 12 -0.750 1.353 -7.652 1.00 0.00 O ATOM 180 CB GLU A 12 -2.704 3.818 -8.541 1.00 0.00 C ATOM 181 CG GLU A 12 -3.006 3.564 -10.014 1.00 0.00 C ATOM 182 CD GLU A 12 -3.449 2.113 -10.233 1.00 0.00 C ATOM 183 OE1 GLU A 12 -4.583 1.777 -9.819 1.00 0.00 O ATOM 184 OE2 GLU A 12 -2.649 1.267 -10.696 1.00 0.00 O ATOM 0 H GLU A 12 -0.972 5.363 -9.383 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.159 3.732 -7.096 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.299 3.135 -7.934 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.018 4.830 -8.283 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.788 4.243 -10.353 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.120 3.774 -10.614 1.00 0.00 H new ATOM 191 N THR A 13 0.031 2.088 -9.629 1.00 0.00 N ATOM 192 CA THR A 13 0.742 0.880 -10.007 1.00 0.00 C ATOM 193 C THR A 13 2.110 0.721 -9.287 1.00 0.00 C ATOM 194 O THR A 13 2.432 -0.409 -8.921 1.00 0.00 O ATOM 195 CB THR A 13 0.868 0.857 -11.540 1.00 0.00 C ATOM 196 OG1 THR A 13 -0.332 1.282 -12.174 1.00 0.00 O ATOM 197 CG2 THR A 13 1.198 -0.540 -12.075 1.00 0.00 C ATOM 0 H THR A 13 0.101 2.825 -10.331 1.00 0.00 H new ATOM 0 HA THR A 13 0.169 0.014 -9.676 1.00 0.00 H new ATOM 0 HB THR A 13 1.683 1.543 -11.771 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.096 1.092 -11.590 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.277 -0.504 -13.162 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.145 -0.877 -11.654 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.407 -1.234 -11.791 1.00 0.00 H new ATOM 205 N GLU A 14 2.915 1.764 -9.007 1.00 0.00 N ATOM 206 CA GLU A 14 4.046 1.652 -8.088 1.00 0.00 C ATOM 207 C GLU A 14 3.594 1.186 -6.703 1.00 0.00 C ATOM 208 O GLU A 14 4.235 0.302 -6.130 1.00 0.00 O ATOM 209 CB GLU A 14 4.768 3.002 -7.969 1.00 0.00 C ATOM 210 CG GLU A 14 5.504 3.345 -9.266 1.00 0.00 C ATOM 211 CD GLU A 14 6.102 4.761 -9.229 1.00 0.00 C ATOM 212 OE1 GLU A 14 5.329 5.731 -9.044 1.00 0.00 O ATOM 213 OE2 GLU A 14 7.330 4.947 -9.379 1.00 0.00 O ATOM 0 H GLU A 14 2.796 2.694 -9.410 1.00 0.00 H new ATOM 0 HA GLU A 14 4.731 0.907 -8.493 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.046 3.786 -7.738 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.477 2.968 -7.142 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.300 2.619 -9.435 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.815 3.264 -10.107 1.00 0.00 H new ATOM 220 N PHE A 15 2.493 1.733 -6.164 1.00 0.00 N ATOM 221 CA PHE A 15 2.012 1.255 -4.867 1.00 0.00 C ATOM 222 C PHE A 15 1.539 -0.192 -4.964 1.00 0.00 C ATOM 223 O PHE A 15 1.709 -0.944 -4.019 1.00 0.00 O ATOM 224 CB PHE A 15 0.895 2.144 -4.311 1.00 0.00 C ATOM 225 CG PHE A 15 0.831 2.160 -2.786 1.00 0.00 C ATOM 226 CD1 PHE A 15 1.773 2.940 -2.098 1.00 0.00 C ATOM 227 CD2 PHE A 15 -0.115 1.433 -2.032 1.00 0.00 C ATOM 228 CE1 PHE A 15 1.750 3.064 -0.704 1.00 0.00 C ATOM 229 CE2 PHE A 15 -0.139 1.554 -0.626 1.00 0.00 C ATOM 230 CZ PHE A 15 0.782 2.386 0.042 1.00 0.00 C ATOM 0 H PHE A 15 1.940 2.477 -6.589 1.00 0.00 H new ATOM 0 HA PHE A 15 2.852 1.304 -4.174 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.039 3.163 -4.671 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.062 1.799 -4.703 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.536 3.459 -2.659 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.820 0.784 -2.531 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.480 3.684 -0.205 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.872 1.003 -0.055 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.740 2.498 1.115 1.00 0.00 H new ATOM 240 N LYS A 16 1.003 -0.640 -6.101 1.00 0.00 N ATOM 241 CA LYS A 16 0.751 -2.050 -6.331 1.00 0.00 C ATOM 242 C LYS A 16 2.057 -2.780 -6.193 1.00 0.00 C ATOM 243 O LYS A 16 2.043 -3.698 -5.409 1.00 0.00 O ATOM 244 CB LYS A 16 0.216 -2.218 -7.765 1.00 0.00 C ATOM 245 CG LYS A 16 -1.120 -2.945 -7.899 1.00 0.00 C ATOM 246 CD LYS A 16 -2.202 -2.014 -7.359 1.00 0.00 C ATOM 247 CE LYS A 16 -2.492 -0.785 -8.242 1.00 0.00 C ATOM 248 NZ LYS A 16 -3.526 -0.941 -9.275 1.00 0.00 N ATOM 0 H LYS A 16 0.736 -0.035 -6.878 1.00 0.00 H new ATOM 0 HA LYS A 16 0.025 -2.444 -5.620 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.116 -1.229 -8.213 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.961 -2.758 -8.349 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.316 -3.198 -8.941 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.105 -3.881 -7.341 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.124 -2.583 -7.237 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.906 -1.671 -6.368 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.783 0.040 -7.591 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.564 -0.492 -8.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.255 -0.402 -10.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.622 -1.947 -9.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.434 -0.585 -8.914 1.00 0.00 H new ATOM 262 N LYS A 17 3.158 -2.419 -6.861 1.00 0.00 N ATOM 263 CA LYS A 17 4.359 -3.233 -6.790 1.00 0.00 C ATOM 264 C LYS A 17 4.764 -3.492 -5.340 1.00 0.00 C ATOM 265 O LYS A 17 5.090 -4.631 -5.049 1.00 0.00 O ATOM 266 CB LYS A 17 5.478 -2.603 -7.624 1.00 0.00 C ATOM 267 CG LYS A 17 6.378 -3.645 -8.308 1.00 0.00 C ATOM 268 CD LYS A 17 7.244 -4.547 -7.401 1.00 0.00 C ATOM 269 CE LYS A 17 6.694 -5.979 -7.259 1.00 0.00 C ATOM 270 NZ LYS A 17 7.643 -6.879 -6.560 1.00 0.00 N ATOM 0 H LYS A 17 3.235 -1.585 -7.443 1.00 0.00 H new ATOM 0 HA LYS A 17 4.153 -4.211 -7.224 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.038 -1.957 -8.384 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.089 -1.969 -6.982 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.743 -4.290 -8.916 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.044 -3.117 -8.991 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.255 -4.592 -7.805 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.316 -4.094 -6.412 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.752 -5.952 -6.711 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.476 -6.382 -8.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.439 -7.866 -6.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.616 -6.643 -6.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.541 -6.760 -5.532 1.00 0.00 H new ATOM 284 N ILE A 18 4.703 -2.514 -4.428 1.00 0.00 N ATOM 285 CA ILE A 18 4.954 -2.788 -3.005 1.00 0.00 C ATOM 286 C ILE A 18 3.942 -3.778 -2.429 1.00 0.00 C ATOM 287 O ILE A 18 4.304 -4.787 -1.833 1.00 0.00 O ATOM 288 CB ILE A 18 5.074 -1.476 -2.204 1.00 0.00 C ATOM 289 CG1 ILE A 18 6.308 -1.688 -1.302 1.00 0.00 C ATOM 290 CG2 ILE A 18 3.864 -0.918 -1.442 1.00 0.00 C ATOM 291 CD1 ILE A 18 6.536 -0.647 -0.223 1.00 0.00 C ATOM 0 H ILE A 18 4.486 -1.541 -4.643 1.00 0.00 H new ATOM 0 HA ILE A 18 5.919 -3.286 -2.914 1.00 0.00 H new ATOM 0 HB ILE A 18 5.160 -0.668 -2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.219 -2.663 -0.824 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.194 -1.724 -1.936 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.145 0.009 -0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.052 -0.721 -2.142 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.534 -1.645 -0.700 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.430 -0.902 0.345 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.666 0.332 -0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.676 -0.622 0.446 1.00 0.00 H new ATOM 303 N ILE A 19 2.668 -3.476 -2.638 1.00 0.00 N ATOM 304 CA ILE A 19 1.530 -4.193 -2.064 1.00 0.00 C ATOM 305 C ILE A 19 1.372 -5.617 -2.653 1.00 0.00 C ATOM 306 O ILE A 19 0.830 -6.535 -2.039 1.00 0.00 O ATOM 307 CB ILE A 19 0.320 -3.250 -2.240 1.00 0.00 C ATOM 308 CG1 ILE A 19 0.392 -1.985 -1.352 1.00 0.00 C ATOM 309 CG2 ILE A 19 -1.042 -3.858 -1.990 1.00 0.00 C ATOM 310 CD1 ILE A 19 0.688 -2.198 0.131 1.00 0.00 C ATOM 0 H ILE A 19 2.385 -2.697 -3.233 1.00 0.00 H new ATOM 0 HA ILE A 19 1.658 -4.410 -1.004 1.00 0.00 H new ATOM 0 HB ILE A 19 0.407 -3.008 -3.299 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.159 -1.327 -1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.558 -1.457 -1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.812 -3.102 -2.144 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.203 -4.686 -2.681 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.094 -4.225 -0.965 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.711 -1.234 0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.090 -2.822 0.571 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.654 -2.690 0.242 1.00 0.00 H new ATOM 322 N GLU A 20 1.887 -5.844 -3.844 1.00 0.00 N ATOM 323 CA GLU A 20 1.991 -7.062 -4.573 1.00 0.00 C ATOM 324 C GLU A 20 3.157 -7.865 -4.047 1.00 0.00 C ATOM 325 O GLU A 20 2.995 -9.052 -3.788 1.00 0.00 O ATOM 326 CB GLU A 20 2.262 -6.554 -5.986 1.00 0.00 C ATOM 327 CG GLU A 20 2.426 -7.590 -7.062 1.00 0.00 C ATOM 328 CD GLU A 20 2.768 -6.905 -8.393 1.00 0.00 C ATOM 329 OE1 GLU A 20 3.942 -6.491 -8.548 1.00 0.00 O ATOM 330 OE2 GLU A 20 1.846 -6.771 -9.229 1.00 0.00 O ATOM 0 H GLU A 20 2.288 -5.073 -4.377 1.00 0.00 H new ATOM 0 HA GLU A 20 1.120 -7.715 -4.508 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.443 -5.895 -6.272 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.166 -5.946 -5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.216 -8.290 -6.789 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.508 -8.169 -7.165 1.00 0.00 H new ATOM 337 N ASP A 21 4.307 -7.209 -3.901 1.00 0.00 N ATOM 338 CA ASP A 21 5.556 -7.793 -3.402 1.00 0.00 C ATOM 339 C ASP A 21 5.268 -8.674 -2.194 1.00 0.00 C ATOM 340 O ASP A 21 5.571 -9.871 -2.185 1.00 0.00 O ATOM 341 CB ASP A 21 6.556 -6.695 -3.012 1.00 0.00 C ATOM 342 CG ASP A 21 7.964 -7.232 -3.033 1.00 0.00 C ATOM 343 OD1 ASP A 21 8.372 -7.964 -2.113 1.00 0.00 O ATOM 344 OD2 ASP A 21 8.665 -6.948 -4.031 1.00 0.00 O ATOM 0 H ASP A 21 4.400 -6.221 -4.135 1.00 0.00 H new ATOM 0 HA ASP A 21 5.995 -8.395 -4.198 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.470 -5.855 -3.702 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.320 -6.316 -2.018 1.00 0.00 H new ATOM 349 N ILE A 22 4.578 -8.066 -1.231 1.00 0.00 N ATOM 350 CA ILE A 22 4.081 -8.684 -0.024 1.00 0.00 C ATOM 351 C ILE A 22 3.084 -9.803 -0.298 1.00 0.00 C ATOM 352 O ILE A 22 3.354 -10.947 0.051 1.00 0.00 O ATOM 353 CB ILE A 22 3.522 -7.610 0.923 1.00 0.00 C ATOM 354 CG1 ILE A 22 2.440 -6.658 0.406 1.00 0.00 C ATOM 355 CG2 ILE A 22 4.705 -6.760 1.416 1.00 0.00 C ATOM 356 CD1 ILE A 22 2.059 -5.495 1.328 1.00 0.00 C ATOM 0 H ILE A 22 4.343 -7.075 -1.284 1.00 0.00 H new ATOM 0 HA ILE A 22 4.919 -9.172 0.473 1.00 0.00 H new ATOM 0 HB ILE A 22 3.005 -8.187 1.690 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.775 -6.244 -0.545 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.542 -7.240 0.202 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.341 -5.987 2.092 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.416 -7.397 1.943 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.198 -6.294 0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.285 -4.893 0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.684 -5.888 2.273 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.937 -4.876 1.515 1.00 0.00 H new ATOM 368 N ILE A 23 1.940 -9.491 -0.905 1.00 0.00 N ATOM 369 CA ILE A 23 0.865 -10.477 -1.099 1.00 0.00 C ATOM 370 C ILE A 23 1.342 -11.753 -1.831 1.00 0.00 C ATOM 371 O ILE A 23 0.850 -12.841 -1.536 1.00 0.00 O ATOM 372 CB ILE A 23 -0.333 -9.795 -1.798 1.00 0.00 C ATOM 373 CG1 ILE A 23 -1.042 -8.755 -0.889 1.00 0.00 C ATOM 374 CG2 ILE A 23 -1.397 -10.776 -2.318 1.00 0.00 C ATOM 375 CD1 ILE A 23 -1.829 -9.310 0.309 1.00 0.00 C ATOM 0 H ILE A 23 1.729 -8.564 -1.273 1.00 0.00 H new ATOM 0 HA ILE A 23 0.540 -10.830 -0.120 1.00 0.00 H new ATOM 0 HB ILE A 23 0.123 -9.295 -2.652 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.289 -8.064 -0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.727 -8.174 -1.507 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.203 -10.219 -2.795 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.945 -11.452 -3.043 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.798 -11.353 -1.485 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.276 -8.485 0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.615 -9.975 -0.049 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.155 -9.863 0.962 1.00 0.00 H new ATOM 387 N ASN A 24 2.280 -11.665 -2.780 1.00 0.00 N ATOM 388 CA ASN A 24 2.916 -12.771 -3.453 1.00 0.00 C ATOM 389 C ASN A 24 3.893 -13.489 -2.539 1.00 0.00 C ATOM 390 O ASN A 24 4.012 -14.712 -2.578 1.00 0.00 O ATOM 391 CB ASN A 24 3.753 -12.112 -4.534 1.00 0.00 C ATOM 392 CG ASN A 24 3.018 -11.912 -5.814 1.00 0.00 C ATOM 393 OD1 ASN A 24 3.016 -12.728 -6.728 1.00 0.00 O ATOM 394 ND2 ASN A 24 2.437 -10.751 -5.887 1.00 0.00 N ATOM 0 H ASN A 24 2.626 -10.763 -3.108 1.00 0.00 H new ATOM 0 HA ASN A 24 2.174 -13.488 -3.804 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.105 -11.146 -4.172 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.636 -12.723 -4.722 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.946 -10.479 -6.739 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.472 -10.112 -5.093 1.00 0.00 H new ATOM 401 N CYS A 25 4.647 -12.662 -1.817 1.00 0.00 N ATOM 402 CA CYS A 25 5.675 -12.955 -0.816 1.00 0.00 C ATOM 403 C CYS A 25 7.027 -13.121 -1.517 1.00 0.00 C ATOM 404 O CYS A 25 7.671 -14.168 -1.429 1.00 0.00 O ATOM 405 CB CYS A 25 5.333 -14.171 0.068 1.00 0.00 C ATOM 406 SG CYS A 25 3.775 -13.946 0.978 1.00 0.00 S ATOM 0 H CYS A 25 4.541 -11.654 -1.932 1.00 0.00 H new ATOM 0 HA CYS A 25 5.725 -12.111 -0.128 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.262 -15.062 -0.556 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.144 -14.342 0.776 1.00 0.00 H new ATOM 0 HG CYS A 25 3.330 -12.740 0.785 1.00 0.00 H new ATOM 411 N GLU A 26 7.457 -12.094 -2.251 1.00 0.00 N ATOM 412 CA GLU A 26 8.576 -12.090 -3.162 1.00 0.00 C ATOM 413 C GLU A 26 9.947 -12.057 -2.453 1.00 0.00 C ATOM 414 O GLU A 26 10.797 -11.211 -2.739 1.00 0.00 O ATOM 415 CB GLU A 26 8.356 -10.923 -4.142 1.00 0.00 C ATOM 416 CG GLU A 26 9.191 -11.066 -5.416 1.00 0.00 C ATOM 417 CD GLU A 26 9.334 -9.728 -6.152 1.00 0.00 C ATOM 418 OE1 GLU A 26 8.422 -9.381 -6.937 1.00 0.00 O ATOM 419 OE2 GLU A 26 10.344 -9.022 -5.917 1.00 0.00 O ATOM 0 H GLU A 26 6.993 -11.186 -2.214 1.00 0.00 H new ATOM 0 HA GLU A 26 8.613 -13.030 -3.712 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.300 -10.869 -4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.609 -9.985 -3.648 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.179 -11.450 -5.163 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.725 -11.797 -6.077 1.00 0.00 H new ATOM 426 N GLY A 27 10.211 -13.001 -1.551 1.00 0.00 N ATOM 427 CA GLY A 27 11.552 -13.222 -1.023 1.00 0.00 C ATOM 428 C GLY A 27 11.585 -13.853 0.360 1.00 0.00 C ATOM 429 O GLY A 27 11.971 -15.013 0.488 1.00 0.00 O ATOM 0 H GLY A 27 9.504 -13.630 -1.169 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.101 -13.861 -1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.077 -12.267 -0.986 1.00 0.00 H new ATOM 433 N ASP A 28 11.288 -13.071 1.395 1.00 0.00 N ATOM 434 CA ASP A 28 11.570 -13.279 2.780 1.00 0.00 C ATOM 435 C ASP A 28 10.587 -12.362 3.508 1.00 0.00 C ATOM 436 O ASP A 28 10.033 -11.416 2.940 1.00 0.00 O ATOM 437 CB ASP A 28 13.010 -12.834 3.057 1.00 0.00 C ATOM 438 CG ASP A 28 13.307 -12.850 4.553 1.00 0.00 C ATOM 439 OD1 ASP A 28 13.002 -13.878 5.191 1.00 0.00 O ATOM 440 OD2 ASP A 28 13.717 -11.792 5.070 1.00 0.00 O ATOM 0 H ASP A 28 10.794 -12.191 1.250 1.00 0.00 H new ATOM 0 HA ASP A 28 11.470 -14.318 3.094 1.00 0.00 H new ATOM 0 HB2 ASP A 28 13.705 -13.494 2.537 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.167 -11.830 2.662 1.00 0.00 H new ATOM 445 N GLU A 29 10.392 -12.651 4.773 1.00 0.00 N ATOM 446 CA GLU A 29 9.560 -11.900 5.701 1.00 0.00 C ATOM 447 C GLU A 29 10.099 -10.490 5.930 1.00 0.00 C ATOM 448 O GLU A 29 9.289 -9.569 5.982 1.00 0.00 O ATOM 449 CB GLU A 29 9.288 -12.655 7.022 1.00 0.00 C ATOM 450 CG GLU A 29 10.522 -13.114 7.818 1.00 0.00 C ATOM 451 CD GLU A 29 10.218 -13.325 9.313 1.00 0.00 C ATOM 452 OE1 GLU A 29 10.024 -12.302 10.019 1.00 0.00 O ATOM 453 OE2 GLU A 29 10.252 -14.486 9.774 1.00 0.00 O ATOM 0 H GLU A 29 10.831 -13.460 5.213 1.00 0.00 H new ATOM 0 HA GLU A 29 8.586 -11.795 5.224 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.687 -12.012 7.665 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.683 -13.533 6.795 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.898 -14.044 7.393 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.314 -12.372 7.713 1.00 0.00 H new ATOM 460 N LYS A 30 11.415 -10.242 6.027 1.00 0.00 N ATOM 461 CA LYS A 30 11.897 -8.902 6.324 1.00 0.00 C ATOM 462 C LYS A 30 11.591 -7.888 5.256 1.00 0.00 C ATOM 463 O LYS A 30 11.346 -6.730 5.548 1.00 0.00 O ATOM 464 CB LYS A 30 13.387 -9.013 6.535 1.00 0.00 C ATOM 465 CG LYS A 30 13.671 -9.971 7.702 1.00 0.00 C ATOM 466 CD LYS A 30 13.142 -9.489 9.073 1.00 0.00 C ATOM 467 CE LYS A 30 11.802 -10.203 9.299 1.00 0.00 C ATOM 468 NZ LYS A 30 11.007 -9.784 10.466 1.00 0.00 N ATOM 0 H LYS A 30 12.145 -10.944 5.905 1.00 0.00 H new ATOM 0 HA LYS A 30 11.379 -8.535 7.210 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.867 -9.377 5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.809 -8.031 6.747 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.226 -10.940 7.476 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.748 -10.124 7.776 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.848 -9.729 9.868 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.011 -8.407 9.080 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.191 -10.066 8.407 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.999 -11.271 9.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.337 -10.538 10.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.641 -9.600 11.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.481 -8.917 10.235 1.00 0.00 H new ATOM 482 N LYS A 31 11.587 -8.332 4.018 1.00 0.00 N ATOM 483 CA LYS A 31 11.132 -7.593 2.885 1.00 0.00 C ATOM 484 C LYS A 31 9.686 -7.129 3.073 1.00 0.00 C ATOM 485 O LYS A 31 9.370 -5.985 2.760 1.00 0.00 O ATOM 486 CB LYS A 31 11.308 -8.549 1.699 1.00 0.00 C ATOM 487 CG LYS A 31 11.548 -7.753 0.435 1.00 0.00 C ATOM 488 CD LYS A 31 11.300 -8.612 -0.811 1.00 0.00 C ATOM 489 CE LYS A 31 11.491 -7.825 -2.117 1.00 0.00 C ATOM 490 NZ LYS A 31 10.804 -8.508 -3.229 1.00 0.00 N ATOM 0 H LYS A 31 11.919 -9.265 3.774 1.00 0.00 H new ATOM 0 HA LYS A 31 11.694 -6.672 2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 31 12.147 -9.221 1.882 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.420 -9.171 1.586 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.891 -6.884 0.418 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.572 -7.379 0.425 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.979 -9.464 -0.802 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.287 -9.012 -0.777 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.097 -6.815 -2.002 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.554 -7.729 -2.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.354 -8.387 -4.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.716 -9.521 -3.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.857 -8.098 -3.356 1.00 0.00 H new ATOM 504 N GLN A 32 8.812 -7.998 3.583 1.00 0.00 N ATOM 505 CA GLN A 32 7.441 -7.619 3.873 1.00 0.00 C ATOM 506 C GLN A 32 7.373 -6.682 5.071 1.00 0.00 C ATOM 507 O GLN A 32 6.565 -5.768 5.043 1.00 0.00 O ATOM 508 CB GLN A 32 6.553 -8.848 4.102 1.00 0.00 C ATOM 509 CG GLN A 32 6.690 -9.866 2.962 1.00 0.00 C ATOM 510 CD GLN A 32 5.508 -10.827 2.905 1.00 0.00 C ATOM 511 OE1 GLN A 32 4.356 -10.425 2.968 1.00 0.00 O ATOM 512 NE2 GLN A 32 5.769 -12.117 2.768 1.00 0.00 N ATOM 0 H GLN A 32 9.036 -8.969 3.802 1.00 0.00 H new ATOM 0 HA GLN A 32 7.061 -7.089 3.000 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.822 -9.321 5.047 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.513 -8.535 4.187 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.773 -9.337 2.012 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.612 -10.433 3.092 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.735 -12.439 2.717 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.004 -12.789 2.714 1.00 0.00 H new ATOM 521 N ASP A 33 8.206 -6.890 6.089 1.00 0.00 N ATOM 522 CA ASP A 33 8.352 -6.050 7.291 1.00 0.00 C ATOM 523 C ASP A 33 8.763 -4.623 6.915 1.00 0.00 C ATOM 524 O ASP A 33 8.226 -3.648 7.439 1.00 0.00 O ATOM 525 CB ASP A 33 9.429 -6.708 8.183 1.00 0.00 C ATOM 526 CG ASP A 33 9.254 -6.637 9.701 1.00 0.00 C ATOM 527 OD1 ASP A 33 8.216 -6.163 10.200 1.00 0.00 O ATOM 528 OD2 ASP A 33 10.156 -7.214 10.365 1.00 0.00 O ATOM 0 H ASP A 33 8.835 -7.693 6.104 1.00 0.00 H new ATOM 0 HA ASP A 33 7.402 -5.980 7.822 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.495 -7.760 7.904 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.388 -6.253 7.937 1.00 0.00 H new ATOM 533 N ASP A 34 9.678 -4.511 5.951 1.00 0.00 N ATOM 534 CA ASP A 34 10.197 -3.254 5.408 1.00 0.00 C ATOM 535 C ASP A 34 9.080 -2.519 4.668 1.00 0.00 C ATOM 536 O ASP A 34 8.795 -1.356 4.962 1.00 0.00 O ATOM 537 CB ASP A 34 11.399 -3.541 4.491 1.00 0.00 C ATOM 538 CG ASP A 34 12.043 -2.279 3.901 1.00 0.00 C ATOM 539 OD1 ASP A 34 12.948 -1.724 4.567 1.00 0.00 O ATOM 540 OD2 ASP A 34 11.718 -1.944 2.739 1.00 0.00 O ATOM 0 H ASP A 34 10.096 -5.329 5.508 1.00 0.00 H new ATOM 0 HA ASP A 34 10.544 -2.611 6.217 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.151 -4.092 5.056 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.076 -4.188 3.675 1.00 0.00 H new ATOM 545 N ASN A 35 8.348 -3.238 3.802 1.00 0.00 N ATOM 546 CA ASN A 35 7.074 -2.750 3.278 1.00 0.00 C ATOM 547 C ASN A 35 6.138 -2.348 4.406 1.00 0.00 C ATOM 548 O ASN A 35 5.401 -1.394 4.235 1.00 0.00 O ATOM 549 CB ASN A 35 6.356 -3.781 2.380 1.00 0.00 C ATOM 550 CG ASN A 35 4.862 -3.463 2.257 1.00 0.00 C ATOM 551 OD1 ASN A 35 4.432 -2.788 1.333 1.00 0.00 O ATOM 552 ND2 ASN A 35 4.035 -3.926 3.189 1.00 0.00 N ATOM 0 H ASN A 35 8.621 -4.157 3.454 1.00 0.00 H new ATOM 0 HA ASN A 35 7.320 -1.882 2.666 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.812 -3.785 1.390 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.485 -4.781 2.795 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.038 -3.718 3.135 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.398 -4.489 3.958 1.00 0.00 H new ATOM 559 N LEU A 36 6.029 -3.114 5.486 1.00 0.00 N ATOM 560 CA LEU A 36 4.919 -3.008 6.403 1.00 0.00 C ATOM 561 C LEU A 36 4.927 -1.698 7.170 1.00 0.00 C ATOM 562 O LEU A 36 3.902 -1.019 7.216 1.00 0.00 O ATOM 563 CB LEU A 36 4.851 -4.310 7.219 1.00 0.00 C ATOM 564 CG LEU A 36 3.845 -5.294 6.614 1.00 0.00 C ATOM 565 CD1 LEU A 36 3.963 -6.650 7.314 1.00 0.00 C ATOM 566 CD2 LEU A 36 2.401 -4.793 6.712 1.00 0.00 C ATOM 0 H LEU A 36 6.714 -3.825 5.744 1.00 0.00 H new ATOM 0 HA LEU A 36 3.966 -2.934 5.880 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.838 -4.771 7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.568 -4.083 8.247 1.00 0.00 H new ATOM 0 HG LEU A 36 4.086 -5.391 5.555 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.246 -7.347 6.881 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.972 -7.040 7.183 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.755 -6.530 8.377 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.730 -5.528 6.268 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.137 -4.646 7.759 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.307 -3.847 6.178 1.00 0.00 H new ATOM 578 N GLU A 37 6.100 -1.283 7.628 1.00 0.00 N ATOM 579 CA GLU A 37 6.330 0.086 8.103 1.00 0.00 C ATOM 580 C GLU A 37 5.944 1.051 6.998 1.00 0.00 C ATOM 581 O GLU A 37 5.129 1.936 7.230 1.00 0.00 O ATOM 582 CB GLU A 37 7.798 0.292 8.531 1.00 0.00 C ATOM 583 CG GLU A 37 8.067 1.626 9.270 1.00 0.00 C ATOM 584 CD GLU A 37 7.975 2.922 8.435 1.00 0.00 C ATOM 585 OE1 GLU A 37 8.404 2.938 7.262 1.00 0.00 O ATOM 586 OE2 GLU A 37 7.507 3.947 8.990 1.00 0.00 O ATOM 0 H GLU A 37 6.924 -1.882 7.683 1.00 0.00 H new ATOM 0 HA GLU A 37 5.716 0.272 8.984 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.095 -0.534 9.178 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.432 0.247 7.645 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.360 1.704 10.096 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.064 1.575 9.708 1.00 0.00 H new ATOM 593 N HIS A 38 6.467 0.858 5.792 1.00 0.00 N ATOM 594 CA HIS A 38 6.274 1.772 4.685 1.00 0.00 C ATOM 595 C HIS A 38 4.783 1.977 4.355 1.00 0.00 C ATOM 596 O HIS A 38 4.325 3.102 4.168 1.00 0.00 O ATOM 597 CB HIS A 38 7.073 1.217 3.506 1.00 0.00 C ATOM 598 CG HIS A 38 7.327 2.237 2.458 1.00 0.00 C ATOM 599 ND1 HIS A 38 8.364 3.135 2.468 1.00 0.00 N ATOM 600 CD2 HIS A 38 6.626 2.375 1.298 1.00 0.00 C ATOM 601 CE1 HIS A 38 8.296 3.800 1.308 1.00 0.00 C ATOM 602 NE2 HIS A 38 7.255 3.380 0.576 1.00 0.00 N ATOM 0 H HIS A 38 7.044 0.050 5.558 1.00 0.00 H new ATOM 0 HA HIS A 38 6.635 2.768 4.941 1.00 0.00 H new ATOM 0 HB2 HIS A 38 8.025 0.828 3.868 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.532 0.378 3.068 1.00 0.00 H new ATOM 0 HD2 HIS A 38 5.753 1.813 0.999 1.00 0.00 H new ATOM 0 HE1 HIS A 38 8.987 4.572 1.003 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.977 3.733 -0.340 1.00 0.00 H new ATOM 610 N PHE A 39 4.009 0.897 4.314 1.00 0.00 N ATOM 611 CA PHE A 39 2.569 0.818 4.110 1.00 0.00 C ATOM 612 C PHE A 39 1.789 1.467 5.262 1.00 0.00 C ATOM 613 O PHE A 39 0.626 1.823 5.074 1.00 0.00 O ATOM 614 CB PHE A 39 2.205 -0.665 3.960 1.00 0.00 C ATOM 615 CG PHE A 39 0.718 -0.915 3.824 1.00 0.00 C ATOM 616 CD1 PHE A 39 0.024 -0.324 2.757 1.00 0.00 C ATOM 617 CD2 PHE A 39 0.030 -1.743 4.729 1.00 0.00 C ATOM 618 CE1 PHE A 39 -1.326 -0.622 2.536 1.00 0.00 C ATOM 619 CE2 PHE A 39 -1.336 -2.011 4.524 1.00 0.00 C ATOM 620 CZ PHE A 39 -2.018 -1.440 3.443 1.00 0.00 C ATOM 0 H PHE A 39 4.414 -0.032 4.434 1.00 0.00 H new ATOM 0 HA PHE A 39 2.294 1.372 3.213 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.714 -1.068 3.085 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.579 -1.211 4.826 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.535 0.366 2.102 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.547 -2.170 5.576 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.834 -0.224 1.670 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.862 -2.662 5.206 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.073 -1.628 3.307 1.00 0.00 H new ATOM 630 N ILE A 40 2.379 1.665 6.438 1.00 0.00 N ATOM 631 CA ILE A 40 1.850 2.673 7.367 1.00 0.00 C ATOM 632 C ILE A 40 2.287 4.038 6.843 1.00 0.00 C ATOM 633 O ILE A 40 1.454 4.917 6.597 1.00 0.00 O ATOM 634 CB ILE A 40 2.310 2.471 8.847 1.00 0.00 C ATOM 635 CG1 ILE A 40 1.429 1.441 9.573 1.00 0.00 C ATOM 636 CG2 ILE A 40 2.212 3.757 9.699 1.00 0.00 C ATOM 637 CD1 ILE A 40 1.801 0.042 9.130 1.00 0.00 C ATOM 0 H ILE A 40 3.201 1.159 6.769 1.00 0.00 H new ATOM 0 HA ILE A 40 0.764 2.582 7.400 1.00 0.00 H new ATOM 0 HB ILE A 40 3.347 2.146 8.762 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.556 1.536 10.651 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.378 1.633 9.358 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.546 3.547 10.715 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.843 4.532 9.263 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.178 4.101 9.721 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.173 -0.683 9.648 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.651 -0.051 8.054 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.847 -0.149 9.368 1.00 0.00 H new ATOM 649 N SER A 41 3.598 4.197 6.698 1.00 0.00 N ATOM 650 CA SER A 41 4.302 5.445 6.656 1.00 0.00 C ATOM 651 C SER A 41 3.784 6.402 5.578 1.00 0.00 C ATOM 652 O SER A 41 3.303 7.492 5.899 1.00 0.00 O ATOM 653 CB SER A 41 5.812 5.177 6.558 1.00 0.00 C ATOM 654 OG SER A 41 6.528 5.888 7.545 1.00 0.00 O ATOM 0 H SER A 41 4.225 3.398 6.602 1.00 0.00 H new ATOM 0 HA SER A 41 4.108 5.976 7.588 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.001 4.109 6.668 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.170 5.464 5.569 1.00 0.00 H new ATOM 0 HG SER A 41 6.759 5.283 8.281 1.00 0.00 H new ATOM 660 N VAL A 42 3.867 6.042 4.289 1.00 0.00 N ATOM 661 CA VAL A 42 3.424 6.855 3.204 1.00 0.00 C ATOM 662 C VAL A 42 1.909 7.008 3.224 1.00 0.00 C ATOM 663 O VAL A 42 1.407 8.079 2.863 1.00 0.00 O ATOM 664 CB VAL A 42 4.002 6.235 1.940 1.00 0.00 C ATOM 665 CG1 VAL A 42 5.382 6.822 1.743 1.00 0.00 C ATOM 666 CG2 VAL A 42 4.154 4.736 1.723 1.00 0.00 C ATOM 0 H VAL A 42 4.258 5.149 3.990 1.00 0.00 H new ATOM 0 HA VAL A 42 3.781 7.883 3.270 1.00 0.00 H new ATOM 0 HB VAL A 42 3.204 6.474 1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.831 6.401 0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.305 7.904 1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.005 6.584 2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.591 4.553 0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.804 4.321 2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.175 4.259 1.779 1.00 0.00 H new ATOM 676 N THR A 43 1.183 5.964 3.620 1.00 0.00 N ATOM 677 CA THR A 43 -0.244 5.880 3.542 1.00 0.00 C ATOM 678 C THR A 43 -0.915 6.803 4.540 1.00 0.00 C ATOM 679 O THR A 43 -1.945 7.383 4.202 1.00 0.00 O ATOM 680 CB THR A 43 -0.643 4.423 3.696 1.00 0.00 C ATOM 681 OG1 THR A 43 0.395 3.571 3.270 1.00 0.00 O ATOM 682 CG2 THR A 43 -1.813 4.103 2.797 1.00 0.00 C ATOM 0 H THR A 43 1.607 5.126 4.019 1.00 0.00 H new ATOM 0 HA THR A 43 -0.592 6.229 2.570 1.00 0.00 H new ATOM 0 HB THR A 43 -0.880 4.272 4.749 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.283 2.688 3.681 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.089 3.055 2.917 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.661 4.734 3.064 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.536 4.288 1.759 1.00 0.00 H new ATOM 690 N GLU A 44 -0.366 6.957 5.749 1.00 0.00 N ATOM 691 CA GLU A 44 -1.024 7.623 6.875 1.00 0.00 C ATOM 692 C GLU A 44 -2.289 6.846 7.300 1.00 0.00 C ATOM 693 O GLU A 44 -3.016 7.308 8.175 1.00 0.00 O ATOM 694 CB GLU A 44 -1.342 9.081 6.471 1.00 0.00 C ATOM 695 CG GLU A 44 -1.330 10.165 7.550 1.00 0.00 C ATOM 696 CD GLU A 44 -1.861 11.495 6.984 1.00 0.00 C ATOM 697 OE1 GLU A 44 -1.713 11.797 5.765 1.00 0.00 O ATOM 698 OE2 GLU A 44 -2.505 12.263 7.734 1.00 0.00 O ATOM 0 H GLU A 44 0.568 6.615 5.976 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.363 7.640 7.742 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.627 9.373 5.702 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.329 9.087 6.008 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.943 9.852 8.395 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.316 10.302 7.925 1.00 0.00 H new ATOM 705 N HIS A 45 -2.575 5.699 6.661 1.00 0.00 N ATOM 706 CA HIS A 45 -3.792 4.920 6.836 1.00 0.00 C ATOM 707 C HIS A 45 -3.687 4.251 8.218 1.00 0.00 C ATOM 708 O HIS A 45 -2.804 3.415 8.396 1.00 0.00 O ATOM 709 CB HIS A 45 -3.994 3.905 5.680 1.00 0.00 C ATOM 710 CG HIS A 45 -5.342 3.211 5.722 1.00 0.00 C ATOM 711 ND1 HIS A 45 -5.784 2.472 6.800 1.00 0.00 N ATOM 712 CD2 HIS A 45 -6.358 3.217 4.783 1.00 0.00 C ATOM 713 CE1 HIS A 45 -7.057 2.122 6.565 1.00 0.00 C ATOM 714 NE2 HIS A 45 -7.435 2.552 5.360 1.00 0.00 N ATOM 0 H HIS A 45 -1.935 5.282 5.985 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.678 5.554 6.799 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.889 4.424 4.727 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.205 3.154 5.722 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.322 3.653 3.795 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.685 1.572 7.251 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.353 2.417 4.936 1.00 0.00 H new ATOM 722 N PRO A 46 -4.546 4.586 9.199 1.00 0.00 N ATOM 723 CA PRO A 46 -4.431 4.131 10.580 1.00 0.00 C ATOM 724 C PRO A 46 -4.447 2.608 10.695 1.00 0.00 C ATOM 725 O PRO A 46 -3.645 2.049 11.432 1.00 0.00 O ATOM 726 CB PRO A 46 -5.584 4.793 11.349 1.00 0.00 C ATOM 727 CG PRO A 46 -6.506 5.390 10.280 1.00 0.00 C ATOM 728 CD PRO A 46 -5.613 5.545 9.069 1.00 0.00 C ATOM 0 HA PRO A 46 -3.470 4.422 11.004 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.115 4.065 11.962 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.213 5.566 12.022 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.351 4.734 10.071 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.917 6.348 10.598 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.176 5.372 8.152 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.215 6.558 9.012 1.00 0.00 H new ATOM 736 N SER A 47 -5.322 1.949 9.937 1.00 0.00 N ATOM 737 CA SER A 47 -5.461 0.498 9.848 1.00 0.00 C ATOM 738 C SER A 47 -4.373 -0.130 8.955 1.00 0.00 C ATOM 739 O SER A 47 -4.576 -1.196 8.375 1.00 0.00 O ATOM 740 CB SER A 47 -6.866 0.176 9.315 1.00 0.00 C ATOM 741 OG SER A 47 -7.829 1.173 9.649 1.00 0.00 O ATOM 0 H SER A 47 -5.987 2.439 9.338 1.00 0.00 H new ATOM 0 HA SER A 47 -5.331 0.066 10.840 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.822 0.069 8.231 1.00 0.00 H new ATOM 0 HB3 SER A 47 -7.190 -0.784 9.717 1.00 0.00 H new ATOM 0 HG SER A 47 -8.703 0.919 9.285 1.00 0.00 H new ATOM 747 N GLY A 48 -3.262 0.572 8.712 1.00 0.00 N ATOM 748 CA GLY A 48 -2.111 0.029 8.009 1.00 0.00 C ATOM 749 C GLY A 48 -1.729 -1.325 8.595 1.00 0.00 C ATOM 750 O GLY A 48 -1.328 -1.430 9.748 1.00 0.00 O ATOM 0 H GLY A 48 -3.142 1.542 9.003 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.340 -0.077 6.949 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.270 0.718 8.087 1.00 0.00 H new ATOM 754 N SER A 49 -1.910 -2.332 7.750 1.00 0.00 N ATOM 755 CA SER A 49 -1.639 -3.758 7.857 1.00 0.00 C ATOM 756 C SER A 49 -2.887 -4.587 8.161 1.00 0.00 C ATOM 757 O SER A 49 -2.869 -5.778 7.850 1.00 0.00 O ATOM 758 CB SER A 49 -0.536 -4.054 8.875 1.00 0.00 C ATOM 759 OG SER A 49 -0.023 -5.359 8.707 1.00 0.00 O ATOM 0 H SER A 49 -2.312 -2.132 6.834 1.00 0.00 H new ATOM 0 HA SER A 49 -1.288 -4.062 6.871 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.269 -3.327 8.765 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.930 -3.943 9.885 1.00 0.00 H new ATOM 0 HG SER A 49 -0.531 -5.984 9.265 1.00 0.00 H new ATOM 765 N ASP A 50 -3.986 -4.025 8.665 1.00 0.00 N ATOM 766 CA ASP A 50 -5.213 -4.750 8.885 1.00 0.00 C ATOM 767 C ASP A 50 -5.790 -5.176 7.539 1.00 0.00 C ATOM 768 O ASP A 50 -6.335 -6.265 7.411 1.00 0.00 O ATOM 769 CB ASP A 50 -6.184 -3.798 9.585 1.00 0.00 C ATOM 770 CG ASP A 50 -5.872 -3.478 11.049 1.00 0.00 C ATOM 771 OD1 ASP A 50 -5.439 -4.397 11.779 1.00 0.00 O ATOM 772 OD2 ASP A 50 -6.090 -2.303 11.426 1.00 0.00 O ATOM 0 H ASP A 50 -4.038 -3.042 8.931 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.042 -5.639 9.492 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.210 -2.862 9.027 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.184 -4.228 9.533 1.00 0.00 H new ATOM 777 N LEU A 51 -5.596 -4.363 6.495 1.00 0.00 N ATOM 778 CA LEU A 51 -6.092 -4.635 5.158 1.00 0.00 C ATOM 779 C LEU A 51 -5.281 -5.736 4.473 1.00 0.00 C ATOM 780 O LEU A 51 -5.721 -6.249 3.446 1.00 0.00 O ATOM 781 CB LEU A 51 -6.044 -3.325 4.349 1.00 0.00 C ATOM 782 CG LEU A 51 -7.127 -2.269 4.669 1.00 0.00 C ATOM 783 CD1 LEU A 51 -8.521 -2.871 4.896 1.00 0.00 C ATOM 784 CD2 LEU A 51 -6.759 -1.392 5.868 1.00 0.00 C ATOM 0 H LEU A 51 -5.081 -3.486 6.565 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.119 -4.996 5.217 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.067 -2.867 4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.116 -3.576 3.291 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.168 -1.648 3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.230 -2.073 5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.839 -3.402 3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.485 -3.566 5.735 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.554 -0.669 6.048 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.632 -2.018 6.751 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.828 -0.864 5.660 1.00 0.00 H new ATOM 796 N ILE A 52 -4.121 -6.093 5.029 1.00 0.00 N ATOM 797 CA ILE A 52 -3.262 -7.170 4.559 1.00 0.00 C ATOM 798 C ILE A 52 -3.603 -8.428 5.379 1.00 0.00 C ATOM 799 O ILE A 52 -3.800 -9.496 4.806 1.00 0.00 O ATOM 800 CB ILE A 52 -1.789 -6.736 4.662 1.00 0.00 C ATOM 801 CG1 ILE A 52 -1.476 -5.616 3.644 1.00 0.00 C ATOM 802 CG2 ILE A 52 -0.733 -7.855 4.539 1.00 0.00 C ATOM 803 CD1 ILE A 52 -0.143 -4.922 3.935 1.00 0.00 C ATOM 0 H ILE A 52 -3.745 -5.619 5.850 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.428 -7.404 3.507 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.699 -6.377 5.687 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.452 -6.038 2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.278 -4.878 3.661 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.265 -7.425 4.627 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.884 -8.587 5.332 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.833 -8.344 3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.032 -4.143 3.192 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.175 -4.475 4.929 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.665 -5.653 3.891 1.00 0.00 H new ATOM 815 N TYR A 53 -3.645 -8.322 6.717 1.00 0.00 N ATOM 816 CA TYR A 53 -3.702 -9.463 7.620 1.00 0.00 C ATOM 817 C TYR A 53 -5.119 -9.897 7.990 1.00 0.00 C ATOM 818 O TYR A 53 -5.331 -11.090 8.217 1.00 0.00 O ATOM 819 CB TYR A 53 -2.948 -9.109 8.910 1.00 0.00 C ATOM 820 CG TYR A 53 -1.428 -9.051 8.853 1.00 0.00 C ATOM 821 CD1 TYR A 53 -0.690 -9.893 7.995 1.00 0.00 C ATOM 822 CD2 TYR A 53 -0.742 -8.203 9.745 1.00 0.00 C ATOM 823 CE1 TYR A 53 0.714 -9.901 8.037 1.00 0.00 C ATOM 824 CE2 TYR A 53 0.665 -8.200 9.787 1.00 0.00 C ATOM 825 CZ TYR A 53 1.398 -9.059 8.938 1.00 0.00 C ATOM 826 OH TYR A 53 2.756 -9.109 8.997 1.00 0.00 O ATOM 0 H TYR A 53 -3.640 -7.424 7.200 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.246 -10.300 7.090 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.307 -8.138 9.252 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.227 -9.838 9.671 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.209 -10.537 7.300 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.300 -7.551 10.401 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.270 -10.552 7.379 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.184 -7.541 10.468 1.00 0.00 H new ATOM 0 HH TYR A 53 3.078 -8.468 9.665 1.00 0.00 H new ATOM 836 N TYR A 54 -6.078 -8.973 8.078 1.00 0.00 N ATOM 837 CA TYR A 54 -7.440 -9.244 8.532 1.00 0.00 C ATOM 838 C TYR A 54 -8.449 -8.754 7.478 1.00 0.00 C ATOM 839 O TYR A 54 -9.320 -7.941 7.791 1.00 0.00 O ATOM 840 CB TYR A 54 -7.643 -8.605 9.923 1.00 0.00 C ATOM 841 CG TYR A 54 -6.505 -8.818 10.914 1.00 0.00 C ATOM 842 CD1 TYR A 54 -5.995 -10.107 11.164 1.00 0.00 C ATOM 843 CD2 TYR A 54 -5.909 -7.706 11.538 1.00 0.00 C ATOM 844 CE1 TYR A 54 -4.870 -10.280 11.990 1.00 0.00 C ATOM 845 CE2 TYR A 54 -4.793 -7.868 12.376 1.00 0.00 C ATOM 846 CZ TYR A 54 -4.257 -9.156 12.591 1.00 0.00 C ATOM 847 OH TYR A 54 -3.139 -9.314 13.354 1.00 0.00 O ATOM 0 H TYR A 54 -5.924 -7.996 7.830 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.609 -10.315 8.643 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.793 -7.533 9.793 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.559 -9.005 10.357 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.471 -10.968 10.718 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.313 -6.719 11.371 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.475 -11.270 12.165 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.346 -7.009 12.855 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.846 -8.441 13.690 1.00 0.00 H new ATOM 857 N PRO A 55 -8.335 -9.193 6.210 1.00 0.00 N ATOM 858 CA PRO A 55 -9.118 -8.622 5.130 1.00 0.00 C ATOM 859 C PRO A 55 -10.573 -9.105 5.167 1.00 0.00 C ATOM 860 O PRO A 55 -10.850 -10.253 5.521 1.00 0.00 O ATOM 861 CB PRO A 55 -8.400 -9.104 3.872 1.00 0.00 C ATOM 862 CG PRO A 55 -7.879 -10.470 4.247 1.00 0.00 C ATOM 863 CD PRO A 55 -7.456 -10.239 5.694 1.00 0.00 C ATOM 0 HA PRO A 55 -9.183 -7.536 5.189 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.079 -9.156 3.021 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.589 -8.431 3.593 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.645 -11.241 4.160 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.044 -10.779 3.618 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -7.553 -11.153 6.279 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.411 -9.933 5.751 1.00 0.00 H new ATOM 871 N GLU A 56 -11.501 -8.257 4.714 1.00 0.00 N ATOM 872 CA GLU A 56 -12.917 -8.539 4.631 1.00 0.00 C ATOM 873 C GLU A 56 -13.477 -8.076 3.287 1.00 0.00 C ATOM 874 O GLU A 56 -12.843 -7.325 2.546 1.00 0.00 O ATOM 875 CB GLU A 56 -13.667 -7.802 5.730 1.00 0.00 C ATOM 876 CG GLU A 56 -13.116 -7.965 7.148 1.00 0.00 C ATOM 877 CD GLU A 56 -14.273 -7.907 8.161 1.00 0.00 C ATOM 878 OE1 GLU A 56 -14.892 -8.973 8.399 1.00 0.00 O ATOM 879 OE2 GLU A 56 -14.607 -6.793 8.626 1.00 0.00 O ATOM 0 H GLU A 56 -11.266 -7.321 4.385 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.048 -9.616 4.740 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.676 -6.740 5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.703 -8.140 5.724 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.588 -8.915 7.237 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.393 -7.178 7.361 1.00 0.00 H new ATOM 886 N GLY A 57 -14.721 -8.441 2.988 1.00 0.00 N ATOM 887 CA GLY A 57 -15.306 -8.134 1.693 1.00 0.00 C ATOM 888 C GLY A 57 -14.641 -8.943 0.594 1.00 0.00 C ATOM 889 O GLY A 57 -14.061 -9.993 0.854 1.00 0.00 O ATOM 0 H GLY A 57 -15.338 -8.947 3.624 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -16.375 -8.348 1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.198 -7.070 1.483 1.00 0.00 H new ATOM 893 N ASN A 58 -14.739 -8.455 -0.644 1.00 0.00 N ATOM 894 CA ASN A 58 -13.894 -8.952 -1.727 1.00 0.00 C ATOM 895 C ASN A 58 -12.498 -8.326 -1.643 1.00 0.00 C ATOM 896 O ASN A 58 -11.875 -8.024 -2.669 1.00 0.00 O ATOM 897 CB ASN A 58 -14.547 -8.779 -3.111 1.00 0.00 C ATOM 898 CG ASN A 58 -15.551 -9.828 -3.411 1.00 0.00 C ATOM 899 OD1 ASN A 58 -16.757 -9.598 -3.444 1.00 0.00 O ATOM 900 ND2 ASN A 58 -15.057 -10.966 -3.781 1.00 0.00 N ATOM 0 H ASN A 58 -15.391 -7.721 -0.919 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.780 -10.028 -1.599 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -15.025 -7.801 -3.162 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.772 -8.795 -3.877 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -15.675 -11.706 -4.113 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -14.050 -11.122 -3.740 1.00 0.00 H new ATOM 907 N ASN A 59 -11.983 -8.087 -0.430 1.00 0.00 N ATOM 908 CA ASN A 59 -10.546 -7.927 -0.242 1.00 0.00 C ATOM 909 C ASN A 59 -9.898 -9.305 -0.313 1.00 0.00 C ATOM 910 O ASN A 59 -9.464 -9.895 0.670 1.00 0.00 O ATOM 911 CB ASN A 59 -10.282 -7.161 1.055 1.00 0.00 C ATOM 912 CG ASN A 59 -8.836 -6.774 1.279 1.00 0.00 C ATOM 913 OD1 ASN A 59 -8.029 -6.712 0.359 1.00 0.00 O ATOM 914 ND2 ASN A 59 -8.521 -6.472 2.528 1.00 0.00 N ATOM 0 H ASN A 59 -12.537 -8.002 0.422 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.092 -7.326 -1.030 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.890 -6.256 1.057 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -10.615 -7.771 1.895 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.573 -6.173 2.757 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.226 -6.538 3.262 1.00 0.00 H new ATOM 921 N ASP A 60 -9.942 -9.828 -1.531 1.00 0.00 N ATOM 922 CA ASP A 60 -9.586 -11.178 -1.955 1.00 0.00 C ATOM 923 C ASP A 60 -9.143 -11.146 -3.416 1.00 0.00 C ATOM 924 O ASP A 60 -8.311 -11.948 -3.834 1.00 0.00 O ATOM 925 CB ASP A 60 -10.780 -12.152 -1.798 1.00 0.00 C ATOM 926 CG ASP A 60 -11.791 -12.150 -2.964 1.00 0.00 C ATOM 927 OD1 ASP A 60 -12.304 -11.061 -3.318 1.00 0.00 O ATOM 928 OD2 ASP A 60 -12.109 -13.236 -3.494 1.00 0.00 O ATOM 0 H ASP A 60 -10.257 -9.266 -2.322 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.773 -11.534 -1.322 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.390 -13.163 -1.679 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.311 -11.905 -0.878 1.00 0.00 H new ATOM 933 N GLY A 61 -9.679 -10.202 -4.200 1.00 0.00 N ATOM 934 CA GLY A 61 -9.669 -10.357 -5.647 1.00 0.00 C ATOM 935 C GLY A 61 -8.324 -9.999 -6.271 1.00 0.00 C ATOM 936 O GLY A 61 -7.972 -10.516 -7.332 1.00 0.00 O ATOM 0 H GLY A 61 -10.114 -9.344 -3.860 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.918 -11.388 -5.899 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.445 -9.726 -6.081 1.00 0.00 H new ATOM 940 N SER A 62 -7.602 -9.051 -5.672 1.00 0.00 N ATOM 941 CA SER A 62 -6.371 -8.472 -6.166 1.00 0.00 C ATOM 942 C SER A 62 -5.810 -7.555 -5.069 1.00 0.00 C ATOM 943 O SER A 62 -6.605 -7.024 -4.290 1.00 0.00 O ATOM 944 CB SER A 62 -6.791 -7.627 -7.369 1.00 0.00 C ATOM 945 OG SER A 62 -5.712 -7.006 -8.040 1.00 0.00 O ATOM 0 H SER A 62 -7.885 -8.650 -4.778 1.00 0.00 H new ATOM 0 HA SER A 62 -5.618 -9.214 -6.432 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.329 -8.260 -8.075 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.488 -6.859 -7.035 1.00 0.00 H new ATOM 0 HG SER A 62 -6.053 -6.485 -8.797 1.00 0.00 H new ATOM 951 N PRO A 63 -4.505 -7.218 -5.080 1.00 0.00 N ATOM 952 CA PRO A 63 -3.943 -6.158 -4.238 1.00 0.00 C ATOM 953 C PRO A 63 -4.575 -4.772 -4.455 1.00 0.00 C ATOM 954 O PRO A 63 -4.416 -3.868 -3.641 1.00 0.00 O ATOM 955 CB PRO A 63 -2.435 -6.157 -4.527 1.00 0.00 C ATOM 956 CG PRO A 63 -2.285 -6.893 -5.855 1.00 0.00 C ATOM 957 CD PRO A 63 -3.450 -7.875 -5.839 1.00 0.00 C ATOM 0 HA PRO A 63 -4.161 -6.365 -3.190 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.047 -5.141 -4.593 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.881 -6.658 -3.733 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.344 -6.211 -6.703 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.326 -7.406 -5.925 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.781 -8.107 -6.851 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.162 -8.818 -5.374 1.00 0.00 H new ATOM 965 N GLU A 64 -5.352 -4.591 -5.518 1.00 0.00 N ATOM 966 CA GLU A 64 -6.213 -3.473 -5.783 1.00 0.00 C ATOM 967 C GLU A 64 -7.260 -3.298 -4.729 1.00 0.00 C ATOM 968 O GLU A 64 -7.688 -2.173 -4.563 1.00 0.00 O ATOM 969 CB GLU A 64 -6.957 -3.733 -7.082 1.00 0.00 C ATOM 970 CG GLU A 64 -6.220 -3.056 -8.213 1.00 0.00 C ATOM 971 CD GLU A 64 -6.634 -1.574 -8.331 1.00 0.00 C ATOM 972 OE1 GLU A 64 -7.689 -1.239 -8.903 1.00 0.00 O ATOM 973 OE2 GLU A 64 -5.854 -0.720 -7.846 1.00 0.00 O ATOM 0 H GLU A 64 -5.390 -5.283 -6.267 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.583 -2.584 -5.820 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.029 -4.805 -7.267 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.976 -3.352 -7.015 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.145 -3.125 -8.045 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.430 -3.572 -9.150 1.00 0.00 H new ATOM 980 N ALA A 65 -7.689 -4.351 -4.044 1.00 0.00 N ATOM 981 CA ALA A 65 -8.575 -4.177 -2.914 1.00 0.00 C ATOM 982 C ALA A 65 -7.867 -3.416 -1.790 1.00 0.00 C ATOM 983 O ALA A 65 -8.534 -2.651 -1.095 1.00 0.00 O ATOM 984 CB ALA A 65 -9.113 -5.530 -2.456 1.00 0.00 C ATOM 0 H ALA A 65 -7.439 -5.318 -4.251 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.431 -3.573 -3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.779 -5.388 -1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.663 -5.998 -3.272 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.282 -6.172 -2.163 1.00 0.00 H new ATOM 990 N VAL A 66 -6.533 -3.506 -1.682 1.00 0.00 N ATOM 991 CA VAL A 66 -5.848 -2.646 -0.694 1.00 0.00 C ATOM 992 C VAL A 66 -5.604 -1.284 -1.326 1.00 0.00 C ATOM 993 O VAL A 66 -5.794 -0.270 -0.667 1.00 0.00 O ATOM 994 CB VAL A 66 -4.523 -3.240 -0.181 1.00 0.00 C ATOM 995 CG1 VAL A 66 -3.908 -2.350 0.895 1.00 0.00 C ATOM 996 CG2 VAL A 66 -4.635 -4.675 0.382 1.00 0.00 C ATOM 0 H VAL A 66 -5.933 -4.124 -2.228 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.496 -2.562 0.179 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.887 -3.289 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.973 -2.791 1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.711 -1.361 0.481 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.600 -2.261 1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.655 -5.011 0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.330 -4.683 1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.000 -5.344 -0.397 1.00 0.00 H new ATOM 1006 N ILE A 67 -5.198 -1.201 -2.596 1.00 0.00 N ATOM 1007 CA ILE A 67 -4.930 0.117 -3.182 1.00 0.00 C ATOM 1008 C ILE A 67 -6.199 0.913 -3.242 1.00 0.00 C ATOM 1009 O ILE A 67 -6.155 2.124 -3.105 1.00 0.00 O ATOM 1010 CB ILE A 67 -4.316 0.019 -4.589 1.00 0.00 C ATOM 1011 CG1 ILE A 67 -2.800 0.103 -4.458 1.00 0.00 C ATOM 1012 CG2 ILE A 67 -4.700 1.105 -5.586 1.00 0.00 C ATOM 1013 CD1 ILE A 67 -2.379 -1.130 -3.697 1.00 0.00 C ATOM 0 H ILE A 67 -5.052 -1.996 -3.218 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.203 0.615 -2.541 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.704 -0.921 -4.980 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.325 0.137 -5.438 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.504 1.008 -3.928 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.200 0.919 -6.537 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.780 1.096 -5.736 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.395 2.078 -5.200 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.296 -1.127 -3.570 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.859 -1.135 -2.718 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.677 -2.020 -4.252 1.00 0.00 H new ATOM 1025 N LYS A 68 -7.304 0.231 -3.479 1.00 0.00 N ATOM 1026 CA LYS A 68 -8.632 0.746 -3.224 1.00 0.00 C ATOM 1027 C LYS A 68 -8.644 1.378 -1.886 1.00 0.00 C ATOM 1028 O LYS A 68 -8.733 2.584 -1.865 1.00 0.00 O ATOM 1029 CB LYS A 68 -9.729 -0.293 -3.337 1.00 0.00 C ATOM 1030 CG LYS A 68 -10.224 -0.213 -4.778 1.00 0.00 C ATOM 1031 CD LYS A 68 -11.717 0.135 -4.766 1.00 0.00 C ATOM 1032 CE LYS A 68 -12.235 0.670 -6.099 1.00 0.00 C ATOM 1033 NZ LYS A 68 -13.492 1.422 -5.885 1.00 0.00 N ATOM 0 H LYS A 68 -7.301 -0.715 -3.862 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.853 1.477 -4.001 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.350 -1.289 -3.107 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.536 -0.089 -2.633 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.664 0.543 -5.328 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.062 -1.163 -5.287 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.286 -0.755 -4.496 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.901 0.878 -3.990 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.487 1.317 -6.556 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.408 -0.155 -6.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.608 2.126 -6.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.297 0.764 -5.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.455 1.905 -4.965 1.00 0.00 H new ATOM 1047 N GLU A 69 -8.498 0.628 -0.819 1.00 0.00 N ATOM 1048 CA GLU A 69 -8.639 1.150 0.509 1.00 0.00 C ATOM 1049 C GLU A 69 -7.687 2.318 0.766 1.00 0.00 C ATOM 1050 O GLU A 69 -7.996 3.208 1.537 1.00 0.00 O ATOM 1051 CB GLU A 69 -8.393 -0.034 1.437 1.00 0.00 C ATOM 1052 CG GLU A 69 -9.653 -0.468 2.213 1.00 0.00 C ATOM 1053 CD GLU A 69 -10.354 0.621 3.048 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -11.076 1.445 2.434 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -10.240 0.572 4.291 1.00 0.00 O ATOM 0 H GLU A 69 -8.277 -0.367 -0.854 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.630 1.573 0.677 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.026 -0.877 0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.608 0.226 2.147 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.373 -0.867 1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.379 -1.286 2.880 1.00 0.00 H new ATOM 1062 N ILE A 70 -6.571 2.421 0.052 1.00 0.00 N ATOM 1063 CA ILE A 70 -5.633 3.486 0.160 1.00 0.00 C ATOM 1064 C ILE A 70 -6.248 4.669 -0.591 1.00 0.00 C ATOM 1065 O ILE A 70 -6.447 5.719 0.001 1.00 0.00 O ATOM 1066 CB ILE A 70 -4.280 3.063 -0.361 1.00 0.00 C ATOM 1067 CG1 ILE A 70 -3.610 2.023 0.559 1.00 0.00 C ATOM 1068 CG2 ILE A 70 -3.395 4.297 -0.480 1.00 0.00 C ATOM 1069 CD1 ILE A 70 -4.295 1.369 1.779 1.00 0.00 C ATOM 0 H ILE A 70 -6.302 1.724 -0.642 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.446 3.776 1.194 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.415 2.594 -1.336 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.298 1.203 -0.088 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.703 2.494 0.938 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.414 4.006 -0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.852 5.007 -1.170 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.285 4.762 0.500 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.604 0.673 2.254 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.581 2.141 2.493 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.185 0.831 1.452 1.00 0.00 H new ATOM 1081 N LYS A 71 -6.546 4.531 -1.896 1.00 0.00 N ATOM 1082 CA LYS A 71 -7.225 5.547 -2.700 1.00 0.00 C ATOM 1083 C LYS A 71 -8.426 6.076 -1.940 1.00 0.00 C ATOM 1084 O LYS A 71 -8.608 7.293 -1.879 1.00 0.00 O ATOM 1085 CB LYS A 71 -7.739 4.971 -4.047 1.00 0.00 C ATOM 1086 CG LYS A 71 -6.700 4.526 -5.090 1.00 0.00 C ATOM 1087 CD LYS A 71 -7.255 3.427 -6.030 1.00 0.00 C ATOM 1088 CE LYS A 71 -6.368 3.181 -7.279 1.00 0.00 C ATOM 1089 NZ LYS A 71 -6.646 1.927 -8.047 1.00 0.00 N ATOM 0 H LYS A 71 -6.314 3.691 -2.426 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.500 6.336 -2.902 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.374 4.114 -3.822 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.375 5.725 -4.511 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.389 5.387 -5.682 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.812 4.153 -4.580 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.350 2.496 -5.472 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.257 3.708 -6.354 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.483 4.029 -7.954 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.325 3.165 -6.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.134 1.953 -8.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.331 1.104 -7.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.667 1.851 -8.229 1.00 0.00 H new ATOM 1103 N GLU A 72 -9.252 5.184 -1.409 1.00 0.00 N ATOM 1104 CA GLU A 72 -10.552 5.464 -0.971 1.00 0.00 C ATOM 1105 C GLU A 72 -10.490 6.068 0.429 1.00 0.00 C ATOM 1106 O GLU A 72 -11.051 7.144 0.633 1.00 0.00 O ATOM 1107 CB GLU A 72 -11.170 4.102 -1.078 1.00 0.00 C ATOM 1108 CG GLU A 72 -11.526 3.514 -2.468 1.00 0.00 C ATOM 1109 CD GLU A 72 -12.640 4.175 -3.289 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -12.880 5.391 -3.154 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -13.187 3.451 -4.163 1.00 0.00 O ATOM 0 H GLU A 72 -8.990 4.207 -1.280 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.130 6.204 -1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.491 3.400 -0.594 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -12.087 4.116 -0.489 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.619 3.526 -3.073 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.799 2.469 -2.324 1.00 0.00 H new ATOM 1118 N TRP A 73 -9.716 5.482 1.355 1.00 0.00 N ATOM 1119 CA TRP A 73 -9.388 6.109 2.627 1.00 0.00 C ATOM 1120 C TRP A 73 -8.819 7.490 2.409 1.00 0.00 C ATOM 1121 O TRP A 73 -9.292 8.432 3.051 1.00 0.00 O ATOM 1122 CB TRP A 73 -8.436 5.276 3.453 1.00 0.00 C ATOM 1123 CG TRP A 73 -8.204 5.837 4.811 1.00 0.00 C ATOM 1124 CD1 TRP A 73 -8.945 5.560 5.901 1.00 0.00 C ATOM 1125 CD2 TRP A 73 -7.169 6.756 5.236 1.00 0.00 C ATOM 1126 NE1 TRP A 73 -8.446 6.261 6.981 1.00 0.00 N ATOM 1127 CE2 TRP A 73 -7.369 7.046 6.614 1.00 0.00 C ATOM 1128 CE3 TRP A 73 -6.067 7.350 4.592 1.00 0.00 C ATOM 1129 CZ2 TRP A 73 -6.525 7.917 7.315 1.00 0.00 C ATOM 1130 CZ3 TRP A 73 -5.191 8.192 5.294 1.00 0.00 C ATOM 1131 CH2 TRP A 73 -5.430 8.493 6.637 1.00 0.00 C ATOM 0 H TRP A 73 -9.303 4.557 1.234 1.00 0.00 H new ATOM 0 HA TRP A 73 -10.319 6.189 3.188 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -8.833 4.265 3.546 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -7.483 5.197 2.930 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -9.795 4.895 5.926 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -8.823 6.207 7.927 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -5.894 7.155 3.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -6.709 8.143 8.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -4.329 8.609 4.794 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -4.772 9.171 7.160 1.00 0.00 H new ATOM 1142 N ARG A 74 -7.811 7.644 1.537 1.00 0.00 N ATOM 1143 CA ARG A 74 -7.184 8.930 1.362 1.00 0.00 C ATOM 1144 C ARG A 74 -8.227 9.918 0.881 1.00 0.00 C ATOM 1145 O ARG A 74 -8.339 10.977 1.493 1.00 0.00 O ATOM 1146 CB ARG A 74 -5.990 8.791 0.416 1.00 0.00 C ATOM 1147 CG ARG A 74 -4.878 7.934 1.036 1.00 0.00 C ATOM 1148 CD ARG A 74 -4.026 8.628 2.096 1.00 0.00 C ATOM 1149 NE ARG A 74 -3.137 9.663 1.555 1.00 0.00 N ATOM 1150 CZ ARG A 74 -2.282 10.399 2.271 1.00 0.00 C ATOM 1151 NH1 ARG A 74 -2.034 10.103 3.538 1.00 0.00 N ATOM 1152 NH2 ARG A 74 -1.710 11.466 1.719 1.00 0.00 N ATOM 0 H ARG A 74 -7.429 6.897 0.958 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.788 9.312 2.303 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.318 8.341 -0.521 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.598 9.779 0.176 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.332 7.049 1.482 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.222 7.588 0.237 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.683 9.079 2.840 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.425 7.880 2.613 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.175 9.834 0.550 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.497 9.307 3.976 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.380 10.671 4.076 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.925 11.718 0.754 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.057 12.032 2.261 1.00 0.00 H new ATOM 1166 N ALA A 75 -8.995 9.616 -0.166 1.00 0.00 N ATOM 1167 CA ALA A 75 -9.913 10.588 -0.696 1.00 0.00 C ATOM 1168 C ALA A 75 -11.056 10.887 0.274 1.00 0.00 C ATOM 1169 O ALA A 75 -11.457 12.046 0.370 1.00 0.00 O ATOM 1170 CB ALA A 75 -10.441 10.132 -2.060 1.00 0.00 C ATOM 0 H ALA A 75 -8.991 8.717 -0.648 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.368 11.522 -0.831 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.135 10.877 -2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.607 10.016 -2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.957 9.178 -1.950 1.00 0.00 H new ATOM 1176 N ALA A 76 -11.554 9.889 1.014 1.00 0.00 N ATOM 1177 CA ALA A 76 -12.588 10.073 2.024 1.00 0.00 C ATOM 1178 C ALA A 76 -12.089 11.032 3.101 1.00 0.00 C ATOM 1179 O ALA A 76 -12.786 11.979 3.461 1.00 0.00 O ATOM 1180 CB ALA A 76 -12.985 8.722 2.630 1.00 0.00 C ATOM 0 H ALA A 76 -11.243 8.922 0.923 1.00 0.00 H new ATOM 0 HA ALA A 76 -13.474 10.505 1.559 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -13.758 8.874 3.383 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -13.367 8.069 1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -12.113 8.261 3.093 1.00 0.00 H new ATOM 1186 N ASN A 77 -10.862 10.823 3.587 1.00 0.00 N ATOM 1187 CA ASN A 77 -10.200 11.699 4.530 1.00 0.00 C ATOM 1188 C ASN A 77 -9.706 13.017 3.902 1.00 0.00 C ATOM 1189 O ASN A 77 -9.048 13.803 4.587 1.00 0.00 O ATOM 1190 CB ASN A 77 -9.058 10.895 5.150 1.00 0.00 C ATOM 1191 CG ASN A 77 -9.567 9.934 6.212 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -9.660 10.278 7.383 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -9.939 8.732 5.814 1.00 0.00 N ATOM 0 H ASN A 77 -10.296 10.017 3.322 1.00 0.00 H new ATOM 0 HA ASN A 77 -10.911 12.021 5.291 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -8.540 10.337 4.371 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.330 11.576 5.592 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.314 8.065 6.488 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.851 8.470 4.832 1.00 0.00 H new ATOM 1200 N GLY A 78 -9.989 13.289 2.622 1.00 0.00 N ATOM 1201 CA GLY A 78 -9.617 14.527 1.942 1.00 0.00 C ATOM 1202 C GLY A 78 -8.106 14.679 1.748 1.00 0.00 C ATOM 1203 O GLY A 78 -7.589 15.797 1.746 1.00 0.00 O ATOM 0 H GLY A 78 -10.494 12.638 2.021 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.107 14.560 0.969 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.990 15.375 2.516 1.00 0.00 H new ATOM 1207 N LYS A 79 -7.369 13.573 1.637 1.00 0.00 N ATOM 1208 CA LYS A 79 -5.927 13.528 1.564 1.00 0.00 C ATOM 1209 C LYS A 79 -5.512 13.534 0.091 1.00 0.00 C ATOM 1210 O LYS A 79 -6.349 13.390 -0.801 1.00 0.00 O ATOM 1211 CB LYS A 79 -5.498 12.216 2.228 1.00 0.00 C ATOM 1212 CG LYS A 79 -6.008 11.913 3.654 1.00 0.00 C ATOM 1213 CD LYS A 79 -4.986 12.129 4.770 1.00 0.00 C ATOM 1214 CE LYS A 79 -4.720 13.616 5.009 1.00 0.00 C ATOM 1215 NZ LYS A 79 -3.588 13.801 5.937 1.00 0.00 N ATOM 0 H LYS A 79 -7.792 12.646 1.594 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.463 14.380 2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.815 11.398 1.581 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.408 12.198 2.254 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.877 12.540 3.853 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.347 10.878 3.689 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.349 11.671 5.690 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.053 11.629 4.511 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.504 14.109 4.061 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.613 14.089 5.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.467 14.814 6.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.779 13.291 6.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.719 13.428 5.504 1.00 0.00 H new ATOM 1229 N SER A 80 -4.211 13.631 -0.190 1.00 0.00 N ATOM 1230 CA SER A 80 -3.721 13.293 -1.517 1.00 0.00 C ATOM 1231 C SER A 80 -3.852 11.783 -1.724 1.00 0.00 C ATOM 1232 O SER A 80 -3.519 11.016 -0.817 1.00 0.00 O ATOM 1233 CB SER A 80 -2.263 13.746 -1.684 1.00 0.00 C ATOM 1234 OG SER A 80 -1.413 13.310 -0.632 1.00 0.00 O ATOM 0 H SER A 80 -3.496 13.934 0.471 1.00 0.00 H new ATOM 0 HA SER A 80 -4.315 13.811 -2.270 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.879 13.368 -2.632 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.232 14.834 -1.739 1.00 0.00 H new ATOM 0 HG SER A 80 -0.507 13.172 -0.979 1.00 0.00 H new ATOM 1240 N GLY A 81 -4.293 11.359 -2.908 1.00 0.00 N ATOM 1241 CA GLY A 81 -4.044 10.014 -3.400 1.00 0.00 C ATOM 1242 C GLY A 81 -2.606 9.982 -3.907 1.00 0.00 C ATOM 1243 O GLY A 81 -1.799 10.859 -3.580 1.00 0.00 O ATOM 0 H GLY A 81 -4.832 11.941 -3.549 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.189 9.281 -2.607 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.740 9.761 -4.200 1.00 0.00 H new ATOM 1247 N PHE A 82 -2.287 8.973 -4.709 1.00 0.00 N ATOM 1248 CA PHE A 82 -1.068 8.921 -5.478 1.00 0.00 C ATOM 1249 C PHE A 82 -1.030 10.018 -6.532 1.00 0.00 C ATOM 1250 O PHE A 82 -1.733 11.033 -6.491 1.00 0.00 O ATOM 1251 CB PHE A 82 -0.859 7.524 -6.081 1.00 0.00 C ATOM 1252 CG PHE A 82 -1.480 6.374 -5.312 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -0.883 5.871 -4.143 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.661 5.791 -5.790 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -1.436 4.757 -3.488 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.194 4.664 -5.149 1.00 0.00 C ATOM 1257 CZ PHE A 82 -2.598 4.151 -3.984 1.00 0.00 C ATOM 0 H PHE A 82 -2.885 8.157 -4.839 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.232 9.107 -4.804 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.265 7.521 -7.093 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.212 7.342 -6.167 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.004 6.342 -3.747 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.160 6.209 -6.651 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -0.963 4.367 -2.599 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.072 4.185 -5.555 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.030 3.301 -3.478 1.00 0.00 H new ATOM 1267 N LYS A 83 -0.142 9.800 -7.490 1.00 0.00 N ATOM 1268 CA LYS A 83 -0.200 10.403 -8.787 1.00 0.00 C ATOM 1269 C LYS A 83 -1.628 10.351 -9.360 1.00 0.00 C ATOM 1270 O LYS A 83 -2.486 9.588 -8.914 1.00 0.00 O ATOM 1271 CB LYS A 83 0.738 9.591 -9.660 1.00 0.00 C ATOM 1272 CG LYS A 83 1.399 10.498 -10.717 1.00 0.00 C ATOM 1273 CD LYS A 83 2.931 10.586 -10.643 1.00 0.00 C ATOM 1274 CE LYS A 83 3.606 10.657 -9.266 1.00 0.00 C ATOM 1275 NZ LYS A 83 3.513 11.971 -8.598 1.00 0.00 N ATOM 0 H LYS A 83 0.658 9.178 -7.370 1.00 0.00 H new ATOM 0 HA LYS A 83 0.085 11.454 -8.743 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.504 9.120 -9.044 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.187 8.789 -10.151 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.120 10.137 -11.707 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.989 11.503 -10.617 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.336 9.718 -11.164 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.238 11.468 -11.206 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.158 9.903 -8.618 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.658 10.396 -9.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.462 12.280 -8.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.109 12.667 -9.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.902 11.892 -7.760 1.00 0.00 H new