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 77 ASN : amide:sc= 0.569 K(o=2.3,f=-4.2!) USER MOD Set 1.2: A 79 LYS NZ :NH3+ -171:sc= 1.75 (180deg=1.19) USER MOD Set 2.1: A 58 ASN : amide:sc= 2.74 K(o=2.8,f=-13!) USER MOD Set 2.2: A 68 LYS NZ :NH3+ 143:sc= 0.0365 (180deg=-3.42!) USER MOD Set 3.1: A 45 HIS : no HD1:sc= -2.39 X(o=-2.4,f=-1.9!) USER MOD Set 3.2: A 47 SER OG : rot 180:sc= 0.00854 USER MOD Set 4.1: A 32 GLN : amide:sc= 0.366 K(o=0.77,f=-0.14) USER MOD Set 4.2: A 53 TYR OH : rot 2:sc= 0.401 USER MOD Set 5.1: A 10 TYR OH : rot -2:sc= 0.479 USER MOD Set 5.2: A 38 HIS : no HE2:sc= -1.32 K(o=-0.84,f=-8.4!) USER MOD Single : A 4 LYS NZ :NH3+ -145:sc= 0.956 (180deg=0.00161) USER MOD Single : A 5 ASN : amide:sc= 1.2 K(o=1.2,f=-0.035) USER MOD Single : A 6 SER OG : rot 23:sc= 1.2 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0681 USER MOD Single : A 11 THR OG1 : rot -120:sc= 1.23 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -118:sc= 1.21 (180deg=-2.24!) USER MOD Single : A 17 LYS NZ :NH3+ 179:sc= 1.3 (180deg=1.19) USER MOD Single : A 24 ASN : amide:sc= 0.587 K(o=0.59,f=-0.015) USER MOD Single : A 25 CYS SG : rot -25:sc= 0.501 USER MOD Single : A 30 LYS NZ :NH3+ -159:sc= 1.6 (180deg=1.04) USER MOD Single : A 31 LYS NZ :NH3+ -171:sc= 3.52 (180deg=3) USER MOD Single : A 35 ASN : amide:sc= -4.13! K(o=-4.1!,f=-4.9) USER MOD Single : A 41 SER OG : rot 141:sc= 1.34 USER MOD Single : A 43 THR OG1 : rot 103:sc= 1.35 USER MOD Single : A 49 SER OG : rot -101:sc= 0.524 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.538 K(o=-0.54,f=-3.8!) USER MOD Single : A 62 SER OG : rot 170:sc= -0.0127 USER MOD Single : A 71 LYS NZ :NH3+ -160:sc= 1.31 (180deg=0.135) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N LEU A 3 11.109 3.554 -2.905 1.00 0.00 N ATOM 34 CA LEU A 3 10.025 4.211 -2.266 1.00 0.00 C ATOM 35 C LEU A 3 9.830 5.643 -2.759 1.00 0.00 C ATOM 36 O LEU A 3 10.678 6.177 -3.467 1.00 0.00 O ATOM 37 CB LEU A 3 10.198 4.160 -0.735 1.00 0.00 C ATOM 38 CG LEU A 3 10.630 2.793 -0.171 1.00 0.00 C ATOM 39 CD1 LEU A 3 10.991 2.910 1.311 1.00 0.00 C ATOM 40 CD2 LEU A 3 9.543 1.723 -0.337 1.00 0.00 C ATOM 0 HA LEU A 3 9.115 3.674 -2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.937 4.906 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.255 4.446 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 3 11.504 2.484 -0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.293 1.934 1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.813 3.616 1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.124 3.264 1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.896 0.778 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.642 2.035 0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.318 1.594 -1.396 1.00 0.00 H new ATOM 52 N LYS A 4 8.737 6.286 -2.350 1.00 0.00 N ATOM 53 CA LYS A 4 8.403 7.689 -2.539 1.00 0.00 C ATOM 54 C LYS A 4 8.021 8.250 -1.192 1.00 0.00 C ATOM 55 O LYS A 4 7.624 7.511 -0.293 1.00 0.00 O ATOM 56 CB LYS A 4 7.462 7.919 -3.742 1.00 0.00 C ATOM 57 CG LYS A 4 7.916 7.263 -5.065 1.00 0.00 C ATOM 58 CD LYS A 4 9.203 7.884 -5.645 1.00 0.00 C ATOM 59 CE LYS A 4 9.888 7.036 -6.735 1.00 0.00 C ATOM 60 NZ LYS A 4 10.184 5.651 -6.305 1.00 0.00 N ATOM 0 H LYS A 4 8.005 5.795 -1.836 1.00 0.00 H new ATOM 0 HA LYS A 4 9.254 8.286 -2.867 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.473 7.539 -3.487 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.360 8.992 -3.903 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.079 6.198 -4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.115 7.351 -5.799 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.963 8.863 -6.061 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.910 8.048 -4.832 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.248 7.006 -7.617 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.817 7.522 -7.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.076 5.337 -6.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.271 5.620 -5.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.413 5.022 -6.606 1.00 0.00 H new ATOM 74 N ASN A 5 8.269 9.544 -0.998 1.00 0.00 N ATOM 75 CA ASN A 5 8.266 10.157 0.328 1.00 0.00 C ATOM 76 C ASN A 5 6.854 10.140 0.916 1.00 0.00 C ATOM 77 O ASN A 5 6.661 10.474 2.085 1.00 0.00 O ATOM 78 CB ASN A 5 8.816 11.598 0.241 1.00 0.00 C ATOM 79 CG ASN A 5 9.497 12.095 1.520 1.00 0.00 C ATOM 80 OD1 ASN A 5 10.580 12.663 1.471 1.00 0.00 O ATOM 81 ND2 ASN A 5 8.915 11.917 2.693 1.00 0.00 N ATOM 0 H ASN A 5 8.477 10.196 -1.755 1.00 0.00 H new ATOM 0 HA ASN A 5 8.913 9.582 0.991 1.00 0.00 H new ATOM 0 HB2 ASN A 5 9.530 11.652 -0.581 1.00 0.00 H new ATOM 0 HB3 ASN A 5 7.996 12.272 -0.005 1.00 0.00 H new ATOM 0 HD21 ASN A 5 9.368 12.251 3.543 1.00 0.00 H new ATOM 0 HD22 ASN A 5 8.012 11.445 2.748 1.00 0.00 H new ATOM 88 N SER A 6 5.848 9.810 0.107 1.00 0.00 N ATOM 89 CA SER A 6 4.443 9.880 0.456 1.00 0.00 C ATOM 90 C SER A 6 3.590 9.331 -0.655 1.00 0.00 C ATOM 91 O SER A 6 4.014 9.263 -1.802 1.00 0.00 O ATOM 92 CB SER A 6 4.055 11.338 0.598 1.00 0.00 C ATOM 93 OG SER A 6 4.423 11.908 1.834 1.00 0.00 O ATOM 0 H SER A 6 6.003 9.475 -0.844 1.00 0.00 H new ATOM 0 HA SER A 6 4.291 9.311 1.373 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.520 11.908 -0.207 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.976 11.431 0.473 1.00 0.00 H new ATOM 0 HG SER A 6 5.160 11.394 2.225 1.00 0.00 H new ATOM 99 N ILE A 7 2.340 9.044 -0.309 1.00 0.00 N ATOM 100 CA ILE A 7 1.369 8.428 -1.200 1.00 0.00 C ATOM 101 C ILE A 7 1.200 9.259 -2.459 1.00 0.00 C ATOM 102 O ILE A 7 0.921 8.692 -3.498 1.00 0.00 O ATOM 103 CB ILE A 7 0.045 8.205 -0.437 1.00 0.00 C ATOM 104 CG1 ILE A 7 0.036 6.833 0.248 1.00 0.00 C ATOM 105 CG2 ILE A 7 -1.250 8.388 -1.247 1.00 0.00 C ATOM 106 CD1 ILE A 7 -0.095 5.632 -0.672 1.00 0.00 C ATOM 0 H ILE A 7 1.967 9.238 0.620 1.00 0.00 H new ATOM 0 HA ILE A 7 1.725 7.451 -1.528 1.00 0.00 H new ATOM 0 HB ILE A 7 0.033 9.011 0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.958 6.729 0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.787 6.811 0.962 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.111 8.205 -0.604 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.296 9.406 -1.634 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.262 7.683 -2.078 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.090 4.717 -0.079 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.031 5.699 -1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.741 5.616 -1.371 1.00 0.00 H new ATOM 118 N SER A 8 1.388 10.570 -2.388 1.00 0.00 N ATOM 119 CA SER A 8 1.177 11.488 -3.488 1.00 0.00 C ATOM 120 C SER A 8 2.477 11.831 -4.221 1.00 0.00 C ATOM 121 O SER A 8 2.427 12.477 -5.265 1.00 0.00 O ATOM 122 CB SER A 8 0.529 12.735 -2.873 1.00 0.00 C ATOM 123 OG SER A 8 0.641 12.846 -1.450 1.00 0.00 O ATOM 0 H SER A 8 1.701 11.033 -1.535 1.00 0.00 H new ATOM 0 HA SER A 8 0.539 11.038 -4.249 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.979 13.618 -3.326 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.528 12.743 -3.139 1.00 0.00 H new ATOM 0 HG SER A 8 0.202 13.669 -1.151 1.00 0.00 H new ATOM 129 N ASP A 9 3.618 11.417 -3.669 1.00 0.00 N ATOM 130 CA ASP A 9 4.906 11.332 -4.354 1.00 0.00 C ATOM 131 C ASP A 9 4.970 9.992 -5.110 1.00 0.00 C ATOM 132 O ASP A 9 5.640 9.871 -6.131 1.00 0.00 O ATOM 133 CB ASP A 9 6.006 11.443 -3.282 1.00 0.00 C ATOM 134 CG ASP A 9 7.405 11.756 -3.820 1.00 0.00 C ATOM 135 OD1 ASP A 9 7.524 12.675 -4.657 1.00 0.00 O ATOM 136 OD2 ASP A 9 8.358 11.148 -3.274 1.00 0.00 O ATOM 0 H ASP A 9 3.671 11.120 -2.695 1.00 0.00 H new ATOM 0 HA ASP A 9 5.042 12.132 -5.082 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.724 12.221 -2.572 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.048 10.506 -2.727 1.00 0.00 H new ATOM 141 N TYR A 10 4.220 8.985 -4.636 1.00 0.00 N ATOM 142 CA TYR A 10 3.976 7.721 -5.305 1.00 0.00 C ATOM 143 C TYR A 10 3.107 7.914 -6.545 1.00 0.00 C ATOM 144 O TYR A 10 2.373 8.892 -6.735 1.00 0.00 O ATOM 145 CB TYR A 10 3.299 6.717 -4.342 1.00 0.00 C ATOM 146 CG TYR A 10 4.240 5.778 -3.641 1.00 0.00 C ATOM 147 CD1 TYR A 10 4.822 6.123 -2.418 1.00 0.00 C ATOM 148 CD2 TYR A 10 4.537 4.541 -4.224 1.00 0.00 C ATOM 149 CE1 TYR A 10 5.791 5.286 -1.868 1.00 0.00 C ATOM 150 CE2 TYR A 10 5.451 3.653 -3.632 1.00 0.00 C ATOM 151 CZ TYR A 10 6.084 4.033 -2.434 1.00 0.00 C ATOM 152 OH TYR A 10 6.928 3.194 -1.788 1.00 0.00 O ATOM 0 H TYR A 10 3.750 9.044 -3.733 1.00 0.00 H new ATOM 0 HA TYR A 10 4.940 7.320 -5.617 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.741 7.276 -3.591 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.574 6.129 -4.905 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.525 7.026 -1.906 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.053 4.263 -5.149 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.328 5.607 -0.988 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.664 2.697 -4.088 1.00 0.00 H new ATOM 0 HH TYR A 10 7.260 3.627 -0.974 1.00 0.00 H new ATOM 162 N THR A 11 3.090 6.856 -7.339 1.00 0.00 N ATOM 163 CA THR A 11 2.169 6.563 -8.381 1.00 0.00 C ATOM 164 C THR A 11 1.454 5.280 -7.979 1.00 0.00 C ATOM 165 O THR A 11 1.953 4.488 -7.174 1.00 0.00 O ATOM 166 CB THR A 11 2.934 6.434 -9.699 1.00 0.00 C ATOM 167 OG1 THR A 11 3.765 5.307 -9.740 1.00 0.00 O ATOM 168 CG2 THR A 11 3.793 7.661 -10.044 1.00 0.00 C ATOM 0 H THR A 11 3.794 6.124 -7.247 1.00 0.00 H new ATOM 0 HA THR A 11 1.429 7.349 -8.529 1.00 0.00 H new ATOM 0 HB THR A 11 2.140 6.339 -10.440 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.695 5.591 -9.863 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.304 7.493 -10.992 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.154 8.540 -10.127 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.531 7.821 -9.258 1.00 0.00 H new ATOM 176 N GLU A 12 0.279 5.073 -8.556 1.00 0.00 N ATOM 177 CA GLU A 12 -0.611 3.994 -8.236 1.00 0.00 C ATOM 178 C GLU A 12 0.013 2.618 -8.514 1.00 0.00 C ATOM 179 O GLU A 12 -0.256 1.649 -7.806 1.00 0.00 O ATOM 180 CB GLU A 12 -1.874 4.333 -9.022 1.00 0.00 C ATOM 181 CG GLU A 12 -3.044 3.464 -8.615 1.00 0.00 C ATOM 182 CD GLU A 12 -4.416 4.153 -8.735 1.00 0.00 C ATOM 183 OE1 GLU A 12 -4.646 5.189 -8.068 1.00 0.00 O ATOM 184 OE2 GLU A 12 -5.333 3.626 -9.404 1.00 0.00 O ATOM 0 H GLU A 12 -0.084 5.683 -9.288 1.00 0.00 H new ATOM 0 HA GLU A 12 -0.840 3.903 -7.174 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.129 5.381 -8.865 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.683 4.208 -10.088 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.046 2.566 -9.232 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.901 3.142 -7.584 1.00 0.00 H new ATOM 191 N THR A 13 0.910 2.530 -9.498 1.00 0.00 N ATOM 192 CA THR A 13 1.562 1.276 -9.858 1.00 0.00 C ATOM 193 C THR A 13 2.877 1.093 -9.079 1.00 0.00 C ATOM 194 O THR A 13 3.230 -0.043 -8.779 1.00 0.00 O ATOM 195 CB THR A 13 1.811 1.251 -11.379 1.00 0.00 C ATOM 196 OG1 THR A 13 0.791 1.939 -12.088 1.00 0.00 O ATOM 197 CG2 THR A 13 1.883 -0.180 -11.920 1.00 0.00 C ATOM 0 H THR A 13 1.202 3.326 -10.065 1.00 0.00 H new ATOM 0 HA THR A 13 0.910 0.445 -9.590 1.00 0.00 H new ATOM 0 HB THR A 13 2.768 1.749 -11.533 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.981 1.905 -13.049 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.060 -0.154 -12.995 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.698 -0.713 -11.431 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.942 -0.693 -11.719 1.00 0.00 H new ATOM 205 N GLU A 14 3.604 2.153 -8.701 1.00 0.00 N ATOM 206 CA GLU A 14 4.719 2.019 -7.771 1.00 0.00 C ATOM 207 C GLU A 14 4.226 1.545 -6.417 1.00 0.00 C ATOM 208 O GLU A 14 4.852 0.668 -5.820 1.00 0.00 O ATOM 209 CB GLU A 14 5.441 3.353 -7.614 1.00 0.00 C ATOM 210 CG GLU A 14 6.237 3.635 -8.881 1.00 0.00 C ATOM 211 CD GLU A 14 6.905 5.002 -8.778 1.00 0.00 C ATOM 212 OE1 GLU A 14 7.923 5.125 -8.059 1.00 0.00 O ATOM 213 OE2 GLU A 14 6.318 5.927 -9.386 1.00 0.00 O ATOM 0 H GLU A 14 3.437 3.105 -9.026 1.00 0.00 H new ATOM 0 HA GLU A 14 5.413 1.282 -8.174 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.722 4.152 -7.435 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.105 3.323 -6.750 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.991 2.862 -9.027 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.578 3.606 -9.749 1.00 0.00 H new ATOM 220 N PHE A 15 3.094 2.079 -5.942 1.00 0.00 N ATOM 221 CA PHE A 15 2.537 1.564 -4.709 1.00 0.00 C ATOM 222 C PHE A 15 2.133 0.113 -4.900 1.00 0.00 C ATOM 223 O PHE A 15 2.413 -0.681 -4.016 1.00 0.00 O ATOM 224 CB PHE A 15 1.384 2.426 -4.199 1.00 0.00 C ATOM 225 CG PHE A 15 1.174 2.256 -2.708 1.00 0.00 C ATOM 226 CD1 PHE A 15 2.185 2.667 -1.822 1.00 0.00 C ATOM 227 CD2 PHE A 15 -0.005 1.687 -2.191 1.00 0.00 C ATOM 228 CE1 PHE A 15 2.000 2.546 -0.439 1.00 0.00 C ATOM 229 CE2 PHE A 15 -0.203 1.622 -0.799 1.00 0.00 C ATOM 230 CZ PHE A 15 0.784 2.091 0.090 1.00 0.00 C ATOM 0 H PHE A 15 2.571 2.837 -6.380 1.00 0.00 H new ATOM 0 HA PHE A 15 3.303 1.607 -3.934 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.587 3.474 -4.421 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.469 2.160 -4.728 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.106 3.077 -2.209 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.758 1.300 -2.862 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.806 2.807 0.230 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.121 1.208 -0.408 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.608 2.100 1.156 1.00 0.00 H new ATOM 240 N LYS A 16 1.610 -0.309 -6.059 1.00 0.00 N ATOM 241 CA LYS A 16 1.502 -1.726 -6.314 1.00 0.00 C ATOM 242 C LYS A 16 2.824 -2.409 -6.133 1.00 0.00 C ATOM 243 O LYS A 16 2.794 -3.402 -5.455 1.00 0.00 O ATOM 244 CB LYS A 16 1.109 -1.974 -7.754 1.00 0.00 C ATOM 245 CG LYS A 16 0.211 -3.192 -7.749 1.00 0.00 C ATOM 246 CD LYS A 16 -1.212 -2.667 -7.851 1.00 0.00 C ATOM 247 CE LYS A 16 -1.433 -2.479 -9.336 1.00 0.00 C ATOM 248 NZ LYS A 16 -1.670 -3.801 -9.974 1.00 0.00 N ATOM 0 H LYS A 16 1.269 0.298 -6.804 1.00 0.00 H new ATOM 0 HA LYS A 16 0.759 -2.112 -5.616 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.589 -1.110 -8.169 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.990 -2.144 -8.373 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.444 -3.851 -8.585 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.348 -3.773 -6.837 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.928 -3.372 -7.428 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.330 -1.729 -7.309 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.286 -1.823 -9.507 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.565 -1.997 -9.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.920 -3.990 -10.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.663 -4.544 -9.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.593 -3.795 -10.453 1.00 0.00 H new ATOM 262 N LYS A 17 3.953 -1.964 -6.689 1.00 0.00 N ATOM 263 CA LYS A 17 5.173 -2.728 -6.551 1.00 0.00 C ATOM 264 C LYS A 17 5.421 -3.053 -5.079 1.00 0.00 C ATOM 265 O LYS A 17 5.744 -4.196 -4.804 1.00 0.00 O ATOM 266 CB LYS A 17 6.337 -1.962 -7.204 1.00 0.00 C ATOM 267 CG LYS A 17 7.387 -2.868 -7.857 1.00 0.00 C ATOM 268 CD LYS A 17 8.016 -3.886 -6.895 1.00 0.00 C ATOM 269 CE LYS A 17 9.230 -4.604 -7.488 1.00 0.00 C ATOM 270 NZ LYS A 17 9.709 -5.645 -6.556 1.00 0.00 N ATOM 0 H LYS A 17 4.039 -1.100 -7.224 1.00 0.00 H new ATOM 0 HA LYS A 17 5.085 -3.682 -7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.936 -1.285 -7.958 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.823 -1.345 -6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.925 -3.404 -8.686 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.176 -2.246 -8.280 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.315 -3.375 -5.980 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.265 -4.625 -6.616 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.964 -5.055 -8.444 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.027 -3.886 -7.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.523 -6.138 -6.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.996 -5.203 -5.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.946 -6.328 -6.376 1.00 0.00 H new ATOM 284 N ILE A 18 5.182 -2.137 -4.138 1.00 0.00 N ATOM 285 CA ILE A 18 5.331 -2.484 -2.716 1.00 0.00 C ATOM 286 C ILE A 18 4.247 -3.462 -2.250 1.00 0.00 C ATOM 287 O ILE A 18 4.509 -4.470 -1.597 1.00 0.00 O ATOM 288 CB ILE A 18 5.416 -1.191 -1.881 1.00 0.00 C ATOM 289 CG1 ILE A 18 6.566 -1.463 -0.901 1.00 0.00 C ATOM 290 CG2 ILE A 18 4.148 -0.635 -1.207 1.00 0.00 C ATOM 291 CD1 ILE A 18 6.746 -0.399 0.157 1.00 0.00 C ATOM 0 H ILE A 18 4.893 -1.176 -4.322 1.00 0.00 H new ATOM 0 HA ILE A 18 6.265 -3.025 -2.566 1.00 0.00 H new ATOM 0 HB ILE A 18 5.581 -0.356 -2.562 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.391 -2.421 -0.411 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.494 -1.559 -1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.395 0.277 -0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.399 -0.413 -1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.751 -1.375 -0.512 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.579 -0.669 0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.955 0.558 -0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.835 -0.317 0.750 1.00 0.00 H new ATOM 303 N ILE A 19 3.013 -3.149 -2.606 1.00 0.00 N ATOM 304 CA ILE A 19 1.815 -3.864 -2.181 1.00 0.00 C ATOM 305 C ILE A 19 1.687 -5.275 -2.811 1.00 0.00 C ATOM 306 O ILE A 19 1.068 -6.181 -2.251 1.00 0.00 O ATOM 307 CB ILE A 19 0.607 -2.948 -2.475 1.00 0.00 C ATOM 308 CG1 ILE A 19 0.604 -1.657 -1.642 1.00 0.00 C ATOM 309 CG2 ILE A 19 -0.744 -3.609 -2.256 1.00 0.00 C ATOM 310 CD1 ILE A 19 0.704 -1.849 -0.139 1.00 0.00 C ATOM 0 H ILE A 19 2.807 -2.362 -3.221 1.00 0.00 H new ATOM 0 HA ILE A 19 1.867 -4.073 -1.112 1.00 0.00 H new ATOM 0 HB ILE A 19 0.738 -2.721 -3.533 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.437 -1.033 -1.967 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.311 -1.106 -1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.538 -2.898 -2.485 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.835 -4.477 -2.909 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.829 -3.927 -1.217 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.694 -0.877 0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.142 -2.441 0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.633 -2.367 0.101 1.00 0.00 H new ATOM 322 N GLU A 20 2.292 -5.501 -3.967 1.00 0.00 N ATOM 323 CA GLU A 20 2.386 -6.754 -4.683 1.00 0.00 C ATOM 324 C GLU A 20 3.647 -7.479 -4.204 1.00 0.00 C ATOM 325 O GLU A 20 3.661 -8.701 -4.125 1.00 0.00 O ATOM 326 CB GLU A 20 2.290 -6.551 -6.192 1.00 0.00 C ATOM 327 CG GLU A 20 0.914 -6.899 -6.804 1.00 0.00 C ATOM 328 CD GLU A 20 0.671 -6.365 -8.235 1.00 0.00 C ATOM 329 OE1 GLU A 20 1.641 -6.236 -9.011 1.00 0.00 O ATOM 330 OE2 GLU A 20 -0.497 -6.021 -8.560 1.00 0.00 O ATOM 0 H GLU A 20 2.767 -4.748 -4.465 1.00 0.00 H new ATOM 0 HA GLU A 20 1.535 -7.398 -4.461 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.521 -5.511 -6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.053 -7.161 -6.676 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.804 -7.983 -6.815 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.135 -6.506 -6.151 1.00 0.00 H new ATOM 337 N ASP A 21 4.691 -6.756 -3.799 1.00 0.00 N ATOM 338 CA ASP A 21 5.891 -7.326 -3.182 1.00 0.00 C ATOM 339 C ASP A 21 5.565 -8.040 -1.878 1.00 0.00 C ATOM 340 O ASP A 21 6.252 -8.995 -1.512 1.00 0.00 O ATOM 341 CB ASP A 21 6.939 -6.225 -2.941 1.00 0.00 C ATOM 342 CG ASP A 21 7.912 -6.082 -4.101 1.00 0.00 C ATOM 343 OD1 ASP A 21 7.737 -6.723 -5.160 1.00 0.00 O ATOM 344 OD2 ASP A 21 8.927 -5.368 -3.928 1.00 0.00 O ATOM 0 H ASP A 21 4.728 -5.741 -3.892 1.00 0.00 H new ATOM 0 HA ASP A 21 6.301 -8.065 -3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.431 -5.274 -2.778 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.495 -6.450 -2.031 1.00 0.00 H new ATOM 349 N ILE A 22 4.500 -7.617 -1.199 1.00 0.00 N ATOM 350 CA ILE A 22 3.961 -8.304 -0.040 1.00 0.00 C ATOM 351 C ILE A 22 3.014 -9.430 -0.448 1.00 0.00 C ATOM 352 O ILE A 22 3.354 -10.593 -0.247 1.00 0.00 O ATOM 353 CB ILE A 22 3.385 -7.303 0.983 1.00 0.00 C ATOM 354 CG1 ILE A 22 2.344 -6.292 0.469 1.00 0.00 C ATOM 355 CG2 ILE A 22 4.579 -6.544 1.588 1.00 0.00 C ATOM 356 CD1 ILE A 22 2.013 -5.108 1.387 1.00 0.00 C ATOM 0 H ILE A 22 3.983 -6.773 -1.447 1.00 0.00 H new ATOM 0 HA ILE A 22 4.773 -8.806 0.486 1.00 0.00 H new ATOM 0 HB ILE A 22 2.822 -7.899 1.701 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.698 -5.895 -0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.419 -6.832 0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.218 -5.822 2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.250 -7.251 2.076 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.116 -6.021 0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.268 -4.473 0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.619 -5.480 2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.917 -4.529 1.574 1.00 0.00 H new ATOM 368 N ILE A 23 1.843 -9.108 -0.997 1.00 0.00 N ATOM 369 CA ILE A 23 0.805 -10.105 -1.300 1.00 0.00 C ATOM 370 C ILE A 23 1.288 -11.132 -2.343 1.00 0.00 C ATOM 371 O ILE A 23 1.253 -12.332 -2.087 1.00 0.00 O ATOM 372 CB ILE A 23 -0.520 -9.417 -1.712 1.00 0.00 C ATOM 373 CG1 ILE A 23 -1.063 -8.410 -0.668 1.00 0.00 C ATOM 374 CG2 ILE A 23 -1.621 -10.453 -2.012 1.00 0.00 C ATOM 375 CD1 ILE A 23 -1.206 -8.941 0.765 1.00 0.00 C ATOM 0 H ILE A 23 1.583 -8.153 -1.245 1.00 0.00 H new ATOM 0 HA ILE A 23 0.603 -10.669 -0.389 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.267 -8.855 -2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.402 -7.544 -0.649 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.039 -8.059 -1.004 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.538 -9.937 -2.298 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.299 -11.100 -2.828 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.806 -11.055 -1.123 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.594 -8.151 1.409 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.894 -9.786 0.773 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.232 -9.263 1.133 1.00 0.00 H new ATOM 387 N ASN A 24 1.719 -10.682 -3.527 1.00 0.00 N ATOM 388 CA ASN A 24 2.330 -11.500 -4.578 1.00 0.00 C ATOM 389 C ASN A 24 3.735 -12.011 -4.189 1.00 0.00 C ATOM 390 O ASN A 24 4.270 -12.892 -4.856 1.00 0.00 O ATOM 391 CB ASN A 24 2.271 -10.695 -5.889 1.00 0.00 C ATOM 392 CG ASN A 24 3.459 -10.812 -6.801 1.00 0.00 C ATOM 393 OD1 ASN A 24 3.492 -11.605 -7.734 1.00 0.00 O ATOM 394 ND2 ASN A 24 4.377 -9.893 -6.645 1.00 0.00 N ATOM 0 H ASN A 24 1.648 -9.699 -3.788 1.00 0.00 H new ATOM 0 HA ASN A 24 1.771 -12.424 -4.723 1.00 0.00 H new ATOM 0 HB2 ASN A 24 1.385 -11.007 -6.441 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.136 -9.643 -5.638 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.147 -9.823 -7.310 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.323 -9.246 -5.858 1.00 0.00 H new ATOM 401 N CYS A 25 4.270 -11.544 -3.059 1.00 0.00 N ATOM 402 CA CYS A 25 5.324 -12.122 -2.239 1.00 0.00 C ATOM 403 C CYS A 25 6.737 -12.203 -2.825 1.00 0.00 C ATOM 404 O CYS A 25 7.428 -13.208 -2.656 1.00 0.00 O ATOM 405 CB CYS A 25 4.828 -13.374 -1.482 1.00 0.00 C ATOM 406 SG CYS A 25 4.639 -14.870 -2.504 1.00 0.00 S ATOM 0 H CYS A 25 3.940 -10.665 -2.661 1.00 0.00 H new ATOM 0 HA CYS A 25 5.526 -11.356 -1.490 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.526 -13.591 -0.673 1.00 0.00 H new ATOM 0 HB3 CYS A 25 3.868 -13.144 -1.021 1.00 0.00 H new ATOM 0 HG CYS A 25 4.434 -14.527 -3.741 1.00 0.00 H new ATOM 411 N GLU A 26 7.248 -11.109 -3.399 1.00 0.00 N ATOM 412 CA GLU A 26 8.652 -10.865 -3.589 1.00 0.00 C ATOM 413 C GLU A 26 9.292 -10.584 -2.208 1.00 0.00 C ATOM 414 O GLU A 26 9.891 -9.531 -1.983 1.00 0.00 O ATOM 415 CB GLU A 26 8.857 -9.700 -4.581 1.00 0.00 C ATOM 416 CG GLU A 26 10.266 -9.775 -5.181 1.00 0.00 C ATOM 417 CD GLU A 26 10.832 -8.427 -5.668 1.00 0.00 C ATOM 418 OE1 GLU A 26 11.388 -7.672 -4.834 1.00 0.00 O ATOM 419 OE2 GLU A 26 10.754 -8.113 -6.879 1.00 0.00 O ATOM 0 H GLU A 26 6.662 -10.352 -3.751 1.00 0.00 H new ATOM 0 HA GLU A 26 9.141 -11.737 -4.023 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.111 -9.749 -5.374 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.719 -8.747 -4.071 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.943 -10.189 -4.433 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.252 -10.472 -6.019 1.00 0.00 H new ATOM 426 N GLY A 27 9.096 -11.471 -1.233 1.00 0.00 N ATOM 427 CA GLY A 27 9.241 -11.177 0.182 1.00 0.00 C ATOM 428 C GLY A 27 10.220 -12.127 0.854 1.00 0.00 C ATOM 429 O GLY A 27 10.337 -13.290 0.483 1.00 0.00 O ATOM 0 H GLY A 27 8.825 -12.437 -1.416 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.585 -10.150 0.307 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.269 -11.249 0.671 1.00 0.00 H new ATOM 433 N ASP A 28 10.896 -11.617 1.883 1.00 0.00 N ATOM 434 CA ASP A 28 11.971 -12.304 2.603 1.00 0.00 C ATOM 435 C ASP A 28 11.848 -12.035 4.108 1.00 0.00 C ATOM 436 O ASP A 28 12.806 -12.046 4.845 1.00 0.00 O ATOM 437 CB ASP A 28 13.312 -11.888 1.951 1.00 0.00 C ATOM 438 CG ASP A 28 14.595 -12.178 2.744 1.00 0.00 C ATOM 439 OD1 ASP A 28 14.877 -13.337 3.116 1.00 0.00 O ATOM 440 OD2 ASP A 28 15.314 -11.198 3.032 1.00 0.00 O ATOM 0 H ASP A 28 10.706 -10.685 2.251 1.00 0.00 H new ATOM 0 HA ASP A 28 11.909 -13.389 2.522 1.00 0.00 H new ATOM 0 HB2 ASP A 28 13.389 -12.390 0.987 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.273 -10.817 1.751 1.00 0.00 H new ATOM 445 N GLU A 29 10.658 -11.700 4.596 1.00 0.00 N ATOM 446 CA GLU A 29 10.234 -11.364 5.958 1.00 0.00 C ATOM 447 C GLU A 29 10.604 -9.910 6.181 1.00 0.00 C ATOM 448 O GLU A 29 9.774 -9.042 6.397 1.00 0.00 O ATOM 449 CB GLU A 29 10.895 -12.237 7.061 1.00 0.00 C ATOM 450 CG GLU A 29 11.107 -13.754 6.858 1.00 0.00 C ATOM 451 CD GLU A 29 12.354 -14.258 7.623 1.00 0.00 C ATOM 452 OE1 GLU A 29 13.492 -13.828 7.292 1.00 0.00 O ATOM 453 OE2 GLU A 29 12.178 -15.078 8.551 1.00 0.00 O ATOM 0 H GLU A 29 9.860 -11.650 3.963 1.00 0.00 H new ATOM 0 HA GLU A 29 9.163 -11.551 6.039 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.873 -11.803 7.267 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.296 -12.117 7.964 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.225 -14.295 7.201 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.219 -13.968 5.795 1.00 0.00 H new ATOM 460 N LYS A 30 11.881 -9.634 6.020 1.00 0.00 N ATOM 461 CA LYS A 30 12.556 -8.399 6.324 1.00 0.00 C ATOM 462 C LYS A 30 12.218 -7.350 5.309 1.00 0.00 C ATOM 463 O LYS A 30 11.782 -6.250 5.581 1.00 0.00 O ATOM 464 CB LYS A 30 14.036 -8.628 6.536 1.00 0.00 C ATOM 465 CG LYS A 30 14.706 -9.363 5.410 1.00 0.00 C ATOM 466 CD LYS A 30 16.060 -10.009 5.770 1.00 0.00 C ATOM 467 CE LYS A 30 15.918 -11.337 6.555 1.00 0.00 C ATOM 468 NZ LYS A 30 15.273 -12.432 5.791 1.00 0.00 N ATOM 0 H LYS A 30 12.524 -10.330 5.641 1.00 0.00 H new ATOM 0 HA LYS A 30 12.195 -8.007 7.275 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.527 -7.664 6.671 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.178 -9.190 7.459 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.032 -10.142 5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.859 -8.669 4.583 1.00 0.00 H new ATOM 0 HD2 LYS A 30 16.620 -10.195 4.854 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.644 -9.305 6.363 1.00 0.00 H new ATOM 0 HE2 LYS A 30 16.908 -11.665 6.872 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.339 -11.151 7.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.895 -13.141 6.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.497 -12.045 5.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.974 -12.880 5.167 1.00 0.00 H new ATOM 482 N LYS A 31 12.343 -7.803 4.089 1.00 0.00 N ATOM 483 CA LYS A 31 11.927 -7.191 2.874 1.00 0.00 C ATOM 484 C LYS A 31 10.402 -7.073 2.762 1.00 0.00 C ATOM 485 O LYS A 31 9.941 -6.600 1.732 1.00 0.00 O ATOM 486 CB LYS A 31 12.568 -8.033 1.768 1.00 0.00 C ATOM 487 CG LYS A 31 13.017 -7.216 0.552 1.00 0.00 C ATOM 488 CD LYS A 31 12.320 -7.539 -0.781 1.00 0.00 C ATOM 489 CE LYS A 31 11.227 -6.526 -1.153 1.00 0.00 C ATOM 490 NZ LYS A 31 10.543 -6.903 -2.403 1.00 0.00 N ATOM 0 H LYS A 31 12.786 -8.705 3.915 1.00 0.00 H new ATOM 0 HA LYS A 31 12.252 -6.153 2.807 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.429 -8.560 2.178 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.856 -8.791 1.442 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.861 -6.160 0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 31 14.090 -7.359 0.421 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.065 -7.568 -1.576 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.879 -8.534 -0.721 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.499 -6.461 -0.344 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.670 -5.536 -1.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.921 -6.127 -2.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.250 -7.089 -3.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.975 -7.759 -2.243 1.00 0.00 H new ATOM 504 N GLN A 32 9.616 -7.506 3.760 1.00 0.00 N ATOM 505 CA GLN A 32 8.221 -7.072 3.882 1.00 0.00 C ATOM 506 C GLN A 32 7.934 -6.309 5.181 1.00 0.00 C ATOM 507 O GLN A 32 7.018 -5.495 5.165 1.00 0.00 O ATOM 508 CB GLN A 32 7.212 -8.191 3.592 1.00 0.00 C ATOM 509 CG GLN A 32 7.336 -9.440 4.463 1.00 0.00 C ATOM 510 CD GLN A 32 6.122 -10.355 4.291 1.00 0.00 C ATOM 511 OE1 GLN A 32 5.345 -10.585 5.209 1.00 0.00 O ATOM 512 NE2 GLN A 32 5.924 -10.905 3.103 1.00 0.00 N ATOM 0 H GLN A 32 9.922 -8.152 4.488 1.00 0.00 H new ATOM 0 HA GLN A 32 8.073 -6.342 3.087 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.206 -7.787 3.710 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.316 -8.487 2.548 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.244 -9.982 4.199 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.431 -9.149 5.509 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.571 -10.714 2.338 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.124 -11.520 2.953 1.00 0.00 H new ATOM 521 N ASP A 33 8.738 -6.454 6.239 1.00 0.00 N ATOM 522 CA ASP A 33 8.821 -5.462 7.336 1.00 0.00 C ATOM 523 C ASP A 33 9.151 -4.077 6.770 1.00 0.00 C ATOM 524 O ASP A 33 8.573 -3.062 7.147 1.00 0.00 O ATOM 525 CB ASP A 33 9.939 -5.867 8.307 1.00 0.00 C ATOM 526 CG ASP A 33 9.867 -5.161 9.663 1.00 0.00 C ATOM 527 OD1 ASP A 33 8.767 -5.155 10.259 1.00 0.00 O ATOM 528 OD2 ASP A 33 10.944 -4.730 10.136 1.00 0.00 O ATOM 0 H ASP A 33 9.352 -7.258 6.367 1.00 0.00 H new ATOM 0 HA ASP A 33 7.861 -5.430 7.852 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.896 -6.944 8.466 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.903 -5.651 7.846 1.00 0.00 H new ATOM 533 N ASP A 34 10.035 -4.070 5.770 1.00 0.00 N ATOM 534 CA ASP A 34 10.490 -2.907 5.016 1.00 0.00 C ATOM 535 C ASP A 34 9.345 -2.231 4.276 1.00 0.00 C ATOM 536 O ASP A 34 9.258 -1.005 4.221 1.00 0.00 O ATOM 537 CB ASP A 34 11.551 -3.382 4.001 1.00 0.00 C ATOM 538 CG ASP A 34 11.785 -2.472 2.781 1.00 0.00 C ATOM 539 OD1 ASP A 34 11.104 -2.652 1.746 1.00 0.00 O ATOM 540 OD2 ASP A 34 12.739 -1.663 2.750 1.00 0.00 O ATOM 0 H ASP A 34 10.478 -4.931 5.448 1.00 0.00 H new ATOM 0 HA ASP A 34 10.907 -2.176 5.709 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.499 -3.500 4.527 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.262 -4.369 3.641 1.00 0.00 H new ATOM 545 N ASN A 35 8.445 -3.045 3.727 1.00 0.00 N ATOM 546 CA ASN A 35 7.165 -2.547 3.256 1.00 0.00 C ATOM 547 C ASN A 35 6.332 -2.056 4.424 1.00 0.00 C ATOM 548 O ASN A 35 5.682 -1.039 4.280 1.00 0.00 O ATOM 549 CB ASN A 35 6.372 -3.603 2.468 1.00 0.00 C ATOM 550 CG ASN A 35 4.894 -3.221 2.407 1.00 0.00 C ATOM 551 OD1 ASN A 35 4.463 -2.505 1.519 1.00 0.00 O ATOM 552 ND2 ASN A 35 4.091 -3.665 3.364 1.00 0.00 N ATOM 0 H ASN A 35 8.583 -4.048 3.600 1.00 0.00 H new ATOM 0 HA ASN A 35 7.379 -1.723 2.576 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.774 -3.691 1.459 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.483 -4.579 2.941 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.104 -3.408 3.361 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.460 -4.263 4.103 1.00 0.00 H new ATOM 559 N LEU A 36 6.233 -2.804 5.516 1.00 0.00 N ATOM 560 CA LEU A 36 5.234 -2.598 6.539 1.00 0.00 C ATOM 561 C LEU A 36 5.348 -1.267 7.258 1.00 0.00 C ATOM 562 O LEU A 36 4.342 -0.569 7.419 1.00 0.00 O ATOM 563 CB LEU A 36 5.220 -3.848 7.435 1.00 0.00 C ATOM 564 CG LEU A 36 4.096 -4.790 7.007 1.00 0.00 C ATOM 565 CD1 LEU A 36 4.279 -6.175 7.634 1.00 0.00 C ATOM 566 CD2 LEU A 36 2.714 -4.241 7.371 1.00 0.00 C ATOM 0 H LEU A 36 6.860 -3.584 5.712 1.00 0.00 H new ATOM 0 HA LEU A 36 4.248 -2.497 6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.179 -4.362 7.371 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.084 -3.557 8.476 1.00 0.00 H new ATOM 0 HG LEU A 36 4.152 -4.873 5.922 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.467 -6.829 7.315 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.232 -6.597 7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.269 -6.087 8.720 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.946 -4.944 7.048 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.649 -4.105 8.451 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.561 -3.283 6.874 1.00 0.00 H new ATOM 578 N GLU A 37 6.573 -0.871 7.570 1.00 0.00 N ATOM 579 CA GLU A 37 6.850 0.492 8.034 1.00 0.00 C ATOM 580 C GLU A 37 6.333 1.458 6.983 1.00 0.00 C ATOM 581 O GLU A 37 5.580 2.383 7.285 1.00 0.00 O ATOM 582 CB GLU A 37 8.358 0.704 8.280 1.00 0.00 C ATOM 583 CG GLU A 37 8.713 2.062 8.933 1.00 0.00 C ATOM 584 CD GLU A 37 8.536 3.330 8.067 1.00 0.00 C ATOM 585 OE1 GLU A 37 8.827 3.295 6.849 1.00 0.00 O ATOM 586 OE2 GLU A 37 8.142 4.373 8.644 1.00 0.00 O ATOM 0 H GLU A 37 7.396 -1.471 7.512 1.00 0.00 H new ATOM 0 HA GLU A 37 6.348 0.667 8.986 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.727 -0.100 8.918 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.884 0.623 7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.102 2.176 9.828 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.752 2.018 9.260 1.00 0.00 H new ATOM 593 N HIS A 38 6.696 1.209 5.731 1.00 0.00 N ATOM 594 CA HIS A 38 6.429 2.147 4.683 1.00 0.00 C ATOM 595 C HIS A 38 4.931 2.303 4.417 1.00 0.00 C ATOM 596 O HIS A 38 4.462 3.430 4.335 1.00 0.00 O ATOM 597 CB HIS A 38 7.209 1.732 3.447 1.00 0.00 C ATOM 598 CG HIS A 38 7.262 2.892 2.522 1.00 0.00 C ATOM 599 ND1 HIS A 38 7.822 4.113 2.819 1.00 0.00 N ATOM 600 CD2 HIS A 38 6.579 2.994 1.351 1.00 0.00 C ATOM 601 CE1 HIS A 38 7.512 4.937 1.810 1.00 0.00 C ATOM 602 NE2 HIS A 38 6.798 4.282 0.880 1.00 0.00 N ATOM 0 H HIS A 38 7.176 0.360 5.431 1.00 0.00 H new ATOM 0 HA HIS A 38 6.764 3.138 4.989 1.00 0.00 H new ATOM 0 HB2 HIS A 38 8.216 1.418 3.721 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.730 0.881 2.963 1.00 0.00 H new ATOM 0 HD1 HIS A 38 8.368 4.346 3.648 1.00 0.00 H new ATOM 0 HD2 HIS A 38 5.984 2.226 0.880 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.795 5.978 1.752 1.00 0.00 H new ATOM 610 N PHE A 39 4.181 1.203 4.331 1.00 0.00 N ATOM 611 CA PHE A 39 2.724 1.084 4.232 1.00 0.00 C ATOM 612 C PHE A 39 2.016 1.739 5.426 1.00 0.00 C ATOM 613 O PHE A 39 0.816 2.015 5.351 1.00 0.00 O ATOM 614 CB PHE A 39 2.359 -0.412 4.162 1.00 0.00 C ATOM 615 CG PHE A 39 0.887 -0.674 3.914 1.00 0.00 C ATOM 616 CD1 PHE A 39 0.344 -0.282 2.687 1.00 0.00 C ATOM 617 CD2 PHE A 39 0.086 -1.374 4.833 1.00 0.00 C ATOM 618 CE1 PHE A 39 -0.969 -0.627 2.323 1.00 0.00 C ATOM 619 CE2 PHE A 39 -1.218 -1.749 4.458 1.00 0.00 C ATOM 620 CZ PHE A 39 -1.749 -1.369 3.219 1.00 0.00 C ATOM 0 H PHE A 39 4.621 0.283 4.329 1.00 0.00 H new ATOM 0 HA PHE A 39 2.391 1.604 3.333 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.940 -0.881 3.368 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.651 -0.891 5.096 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.946 0.298 2.004 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.466 -1.621 5.813 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.370 -0.325 1.367 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.818 -2.338 5.136 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.758 -1.648 2.955 1.00 0.00 H new ATOM 630 N ILE A 40 2.718 2.028 6.519 1.00 0.00 N ATOM 631 CA ILE A 40 2.242 3.007 7.497 1.00 0.00 C ATOM 632 C ILE A 40 2.590 4.429 7.109 1.00 0.00 C ATOM 633 O ILE A 40 1.713 5.295 7.150 1.00 0.00 O ATOM 634 CB ILE A 40 2.785 2.653 8.919 1.00 0.00 C ATOM 635 CG1 ILE A 40 1.748 1.827 9.692 1.00 0.00 C ATOM 636 CG2 ILE A 40 3.153 3.839 9.835 1.00 0.00 C ATOM 637 CD1 ILE A 40 1.325 0.610 8.888 1.00 0.00 C ATOM 0 H ILE A 40 3.615 1.601 6.751 1.00 0.00 H new ATOM 0 HA ILE A 40 1.153 2.955 7.515 1.00 0.00 H new ATOM 0 HB ILE A 40 3.708 2.116 8.699 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.166 1.511 10.647 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.877 2.443 9.914 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.516 3.461 10.791 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.932 4.437 9.361 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.271 4.458 10.001 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.590 0.038 9.454 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.886 0.932 7.944 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.196 -0.015 8.689 1.00 0.00 H new ATOM 649 N SER A 41 3.842 4.668 6.745 1.00 0.00 N ATOM 650 CA SER A 41 4.394 5.990 6.813 1.00 0.00 C ATOM 651 C SER A 41 3.994 6.900 5.642 1.00 0.00 C ATOM 652 O SER A 41 3.867 8.116 5.772 1.00 0.00 O ATOM 653 CB SER A 41 5.906 5.841 6.950 1.00 0.00 C ATOM 654 OG SER A 41 6.396 6.250 8.210 1.00 0.00 O ATOM 0 H SER A 41 4.485 3.955 6.401 1.00 0.00 H new ATOM 0 HA SER A 41 3.978 6.504 7.679 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.178 4.799 6.783 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.394 6.426 6.171 1.00 0.00 H new ATOM 0 HG SER A 41 7.104 5.638 8.500 1.00 0.00 H new ATOM 660 N VAL A 42 3.856 6.297 4.464 1.00 0.00 N ATOM 661 CA VAL A 42 3.509 6.905 3.183 1.00 0.00 C ATOM 662 C VAL A 42 2.015 7.210 3.128 1.00 0.00 C ATOM 663 O VAL A 42 1.596 8.247 2.596 1.00 0.00 O ATOM 664 CB VAL A 42 3.995 5.906 2.151 1.00 0.00 C ATOM 665 CG1 VAL A 42 3.203 4.614 1.999 1.00 0.00 C ATOM 666 CG2 VAL A 42 4.139 6.459 0.768 1.00 0.00 C ATOM 0 H VAL A 42 3.995 5.291 4.374 1.00 0.00 H new ATOM 0 HA VAL A 42 3.975 7.874 3.005 1.00 0.00 H new ATOM 0 HB VAL A 42 4.962 5.672 2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.662 3.995 1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.203 4.074 2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.177 4.847 1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.491 5.675 0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.173 6.827 0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.858 7.278 0.777 1.00 0.00 H new ATOM 676 N THR A 43 1.222 6.261 3.625 1.00 0.00 N ATOM 677 CA THR A 43 -0.209 6.297 3.808 1.00 0.00 C ATOM 678 C THR A 43 -0.481 7.174 5.039 1.00 0.00 C ATOM 679 O THR A 43 0.374 7.894 5.538 1.00 0.00 O ATOM 680 CB THR A 43 -0.752 4.833 3.867 1.00 0.00 C ATOM 681 OG1 THR A 43 0.289 3.893 3.712 1.00 0.00 O ATOM 682 CG2 THR A 43 -1.633 4.509 2.670 1.00 0.00 C ATOM 0 H THR A 43 1.612 5.371 3.935 1.00 0.00 H new ATOM 0 HA THR A 43 -0.752 6.751 2.979 1.00 0.00 H new ATOM 0 HB THR A 43 -1.270 4.774 4.824 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.521 3.515 4.586 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.990 3.482 2.749 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.485 5.189 2.650 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.056 4.623 1.752 1.00 0.00 H new ATOM 690 N GLU A 44 -1.728 7.206 5.487 1.00 0.00 N ATOM 691 CA GLU A 44 -2.075 7.588 6.835 1.00 0.00 C ATOM 692 C GLU A 44 -3.082 6.545 7.348 1.00 0.00 C ATOM 693 O GLU A 44 -3.818 6.821 8.287 1.00 0.00 O ATOM 694 CB GLU A 44 -2.626 9.032 6.889 1.00 0.00 C ATOM 695 CG GLU A 44 -1.616 10.185 6.795 1.00 0.00 C ATOM 696 CD GLU A 44 -2.372 11.487 6.517 1.00 0.00 C ATOM 697 OE1 GLU A 44 -3.146 11.941 7.391 1.00 0.00 O ATOM 698 OE2 GLU A 44 -2.367 11.914 5.338 1.00 0.00 O ATOM 0 H GLU A 44 -2.534 6.963 4.911 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.196 7.598 7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.344 9.148 6.077 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.179 9.145 7.822 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.052 10.268 7.724 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.895 9.991 6.001 1.00 0.00 H new ATOM 705 N HIS A 45 -3.206 5.400 6.653 1.00 0.00 N ATOM 706 CA HIS A 45 -4.350 4.510 6.715 1.00 0.00 C ATOM 707 C HIS A 45 -4.302 3.772 8.070 1.00 0.00 C ATOM 708 O HIS A 45 -3.468 2.883 8.225 1.00 0.00 O ATOM 709 CB HIS A 45 -4.375 3.573 5.479 1.00 0.00 C ATOM 710 CG HIS A 45 -5.657 2.746 5.467 1.00 0.00 C ATOM 711 ND1 HIS A 45 -6.042 1.954 6.530 1.00 0.00 N ATOM 712 CD2 HIS A 45 -6.714 2.755 4.571 1.00 0.00 C ATOM 713 CE1 HIS A 45 -7.319 1.595 6.352 1.00 0.00 C ATOM 714 NE2 HIS A 45 -7.760 2.046 5.173 1.00 0.00 N ATOM 0 H HIS A 45 -2.482 5.069 6.015 1.00 0.00 H new ATOM 0 HA HIS A 45 -5.291 5.059 6.670 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.306 4.163 4.565 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.508 2.912 5.497 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.728 3.220 3.596 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.907 1.025 7.057 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.691 1.900 4.783 1.00 0.00 H new ATOM 722 N PRO A 46 -5.175 4.092 9.046 1.00 0.00 N ATOM 723 CA PRO A 46 -5.001 3.743 10.455 1.00 0.00 C ATOM 724 C PRO A 46 -4.951 2.240 10.721 1.00 0.00 C ATOM 725 O PRO A 46 -4.197 1.805 11.583 1.00 0.00 O ATOM 726 CB PRO A 46 -6.158 4.418 11.208 1.00 0.00 C ATOM 727 CG PRO A 46 -7.148 4.869 10.130 1.00 0.00 C ATOM 728 CD PRO A 46 -6.295 4.987 8.889 1.00 0.00 C ATOM 0 HA PRO A 46 -4.030 4.097 10.802 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.628 3.725 11.906 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.802 5.267 11.792 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.952 4.145 9.996 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.615 5.820 10.387 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.872 4.727 8.001 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.951 6.013 8.757 1.00 0.00 H new ATOM 736 N SER A 47 -5.737 1.458 9.982 1.00 0.00 N ATOM 737 CA SER A 47 -5.775 0.002 10.065 1.00 0.00 C ATOM 738 C SER A 47 -4.442 -0.652 9.665 1.00 0.00 C ATOM 739 O SER A 47 -4.188 -1.795 10.031 1.00 0.00 O ATOM 740 CB SER A 47 -6.904 -0.452 9.135 1.00 0.00 C ATOM 741 OG SER A 47 -8.085 0.290 9.398 1.00 0.00 O ATOM 0 H SER A 47 -6.384 1.834 9.289 1.00 0.00 H new ATOM 0 HA SER A 47 -5.949 -0.306 11.096 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.605 -0.317 8.096 1.00 0.00 H new ATOM 0 HB3 SER A 47 -7.095 -1.516 9.276 1.00 0.00 H new ATOM 0 HG SER A 47 -8.799 -0.008 8.796 1.00 0.00 H new ATOM 747 N GLY A 48 -3.576 0.062 8.931 1.00 0.00 N ATOM 748 CA GLY A 48 -2.298 -0.445 8.461 1.00 0.00 C ATOM 749 C GLY A 48 -2.428 -1.855 7.903 1.00 0.00 C ATOM 750 O GLY A 48 -3.225 -2.124 7.002 1.00 0.00 O ATOM 0 H GLY A 48 -3.757 1.025 8.647 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.904 0.217 7.690 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.580 -0.442 9.281 1.00 0.00 H new ATOM 754 N SER A 49 -1.631 -2.738 8.489 1.00 0.00 N ATOM 755 CA SER A 49 -1.452 -4.131 8.120 1.00 0.00 C ATOM 756 C SER A 49 -2.721 -4.983 8.144 1.00 0.00 C ATOM 757 O SER A 49 -2.654 -6.113 7.657 1.00 0.00 O ATOM 758 CB SER A 49 -0.397 -4.744 9.047 1.00 0.00 C ATOM 759 OG SER A 49 0.120 -5.939 8.511 1.00 0.00 O ATOM 0 H SER A 49 -1.054 -2.480 9.289 1.00 0.00 H new ATOM 0 HA SER A 49 -1.136 -4.133 7.077 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.413 -4.031 9.201 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.838 -4.942 10.024 1.00 0.00 H new ATOM 0 HG SER A 49 -0.299 -6.705 8.956 1.00 0.00 H new ATOM 765 N ASP A 50 -3.858 -4.499 8.639 1.00 0.00 N ATOM 766 CA ASP A 50 -5.128 -5.167 8.522 1.00 0.00 C ATOM 767 C ASP A 50 -5.406 -5.448 7.051 1.00 0.00 C ATOM 768 O ASP A 50 -5.751 -6.565 6.688 1.00 0.00 O ATOM 769 CB ASP A 50 -6.190 -4.215 9.079 1.00 0.00 C ATOM 770 CG ASP A 50 -6.352 -4.150 10.604 1.00 0.00 C ATOM 771 OD1 ASP A 50 -5.796 -5.024 11.306 1.00 0.00 O ATOM 772 OD2 ASP A 50 -7.044 -3.201 11.049 1.00 0.00 O ATOM 0 H ASP A 50 -3.911 -3.613 9.141 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.134 -6.111 9.067 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.962 -3.211 8.722 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.152 -4.496 8.650 1.00 0.00 H new ATOM 777 N LEU A 51 -5.168 -4.486 6.156 1.00 0.00 N ATOM 778 CA LEU A 51 -5.470 -4.664 4.749 1.00 0.00 C ATOM 779 C LEU A 51 -4.570 -5.714 4.096 1.00 0.00 C ATOM 780 O LEU A 51 -4.917 -6.211 3.027 1.00 0.00 O ATOM 781 CB LEU A 51 -5.343 -3.310 4.038 1.00 0.00 C ATOM 782 CG LEU A 51 -6.495 -2.309 4.257 1.00 0.00 C ATOM 783 CD1 LEU A 51 -7.878 -2.939 4.061 1.00 0.00 C ATOM 784 CD2 LEU A 51 -6.458 -1.639 5.632 1.00 0.00 C ATOM 0 H LEU A 51 -4.766 -3.578 6.389 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.491 -5.034 4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.415 -2.839 4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.249 -3.494 2.968 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.335 -1.550 3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.648 -2.186 4.228 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.962 -3.324 3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.009 -3.756 4.770 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.295 -0.947 5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.531 -2.400 6.409 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.522 -1.093 5.745 1.00 0.00 H new ATOM 796 N ILE A 52 -3.441 -6.046 4.727 1.00 0.00 N ATOM 797 CA ILE A 52 -2.473 -7.012 4.235 1.00 0.00 C ATOM 798 C ILE A 52 -2.792 -8.401 4.827 1.00 0.00 C ATOM 799 O ILE A 52 -2.621 -9.394 4.123 1.00 0.00 O ATOM 800 CB ILE A 52 -1.048 -6.528 4.554 1.00 0.00 C ATOM 801 CG1 ILE A 52 -0.722 -5.181 3.872 1.00 0.00 C ATOM 802 CG2 ILE A 52 0.089 -7.512 4.215 1.00 0.00 C ATOM 803 CD1 ILE A 52 0.526 -4.494 4.445 1.00 0.00 C ATOM 0 H ILE A 52 -3.173 -5.634 5.621 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.535 -7.104 3.151 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.076 -6.427 5.639 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.578 -5.348 2.805 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.576 -4.513 3.978 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.047 -7.066 4.482 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.050 -8.436 4.776 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.075 -7.730 3.147 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.697 -3.554 3.921 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.377 -4.296 5.506 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.391 -5.144 4.315 1.00 0.00 H new ATOM 815 N TYR A 53 -3.224 -8.505 6.098 1.00 0.00 N ATOM 816 CA TYR A 53 -3.240 -9.761 6.837 1.00 0.00 C ATOM 817 C TYR A 53 -4.614 -10.122 7.416 1.00 0.00 C ATOM 818 O TYR A 53 -4.876 -11.302 7.653 1.00 0.00 O ATOM 819 CB TYR A 53 -2.238 -9.628 7.992 1.00 0.00 C ATOM 820 CG TYR A 53 -0.741 -9.631 7.690 1.00 0.00 C ATOM 821 CD1 TYR A 53 -0.188 -10.283 6.565 1.00 0.00 C ATOM 822 CD2 TYR A 53 0.126 -9.006 8.606 1.00 0.00 C ATOM 823 CE1 TYR A 53 1.207 -10.288 6.350 1.00 0.00 C ATOM 824 CE2 TYR A 53 1.515 -8.999 8.395 1.00 0.00 C ATOM 825 CZ TYR A 53 2.069 -9.642 7.267 1.00 0.00 C ATOM 826 OH TYR A 53 3.423 -9.630 7.103 1.00 0.00 O ATOM 0 H TYR A 53 -3.571 -7.710 6.635 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.981 -10.558 6.141 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.464 -8.699 8.516 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.433 -10.443 8.689 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.839 -10.782 5.863 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.282 -8.525 9.483 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.617 -10.786 5.484 1.00 0.00 H new ATOM 0 HE2 TYR A 53 2.163 -8.499 9.100 1.00 0.00 H new ATOM 0 HH TYR A 53 3.656 -10.098 6.274 1.00 0.00 H new ATOM 836 N TYR A 54 -5.491 -9.144 7.649 1.00 0.00 N ATOM 837 CA TYR A 54 -6.796 -9.293 8.288 1.00 0.00 C ATOM 838 C TYR A 54 -7.820 -8.503 7.449 1.00 0.00 C ATOM 839 O TYR A 54 -8.347 -7.489 7.911 1.00 0.00 O ATOM 840 CB TYR A 54 -6.715 -8.815 9.755 1.00 0.00 C ATOM 841 CG TYR A 54 -5.515 -9.312 10.552 1.00 0.00 C ATOM 842 CD1 TYR A 54 -5.255 -10.690 10.678 1.00 0.00 C ATOM 843 CD2 TYR A 54 -4.635 -8.383 11.143 1.00 0.00 C ATOM 844 CE1 TYR A 54 -4.113 -11.138 11.367 1.00 0.00 C ATOM 845 CE2 TYR A 54 -3.490 -8.820 11.831 1.00 0.00 C ATOM 846 CZ TYR A 54 -3.222 -10.203 11.939 1.00 0.00 C ATOM 847 OH TYR A 54 -2.108 -10.638 12.590 1.00 0.00 O ATOM 0 H TYR A 54 -5.299 -8.178 7.383 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.114 -10.335 8.324 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.705 -7.725 9.762 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.623 -9.128 10.270 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.936 -11.407 10.243 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -4.842 -7.326 11.066 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -3.918 -12.196 11.458 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.817 -8.101 12.275 1.00 0.00 H new ATOM 0 HH TYR A 54 -1.602 -9.868 12.923 1.00 0.00 H new ATOM 857 N PRO A 55 -8.038 -8.897 6.180 1.00 0.00 N ATOM 858 CA PRO A 55 -8.667 -8.041 5.187 1.00 0.00 C ATOM 859 C PRO A 55 -10.164 -7.810 5.441 1.00 0.00 C ATOM 860 O PRO A 55 -10.804 -8.438 6.284 1.00 0.00 O ATOM 861 CB PRO A 55 -8.414 -8.742 3.849 1.00 0.00 C ATOM 862 CG PRO A 55 -8.302 -10.205 4.212 1.00 0.00 C ATOM 863 CD PRO A 55 -7.589 -10.137 5.560 1.00 0.00 C ATOM 0 HA PRO A 55 -8.244 -7.037 5.215 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.230 -8.567 3.147 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.502 -8.378 3.375 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.278 -10.683 4.289 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.729 -10.767 3.474 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -7.840 -10.998 6.180 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.507 -10.141 5.431 1.00 0.00 H new ATOM 871 N GLU A 56 -10.710 -6.899 4.633 1.00 0.00 N ATOM 872 CA GLU A 56 -12.129 -6.703 4.369 1.00 0.00 C ATOM 873 C GLU A 56 -12.726 -7.931 3.666 1.00 0.00 C ATOM 874 O GLU A 56 -12.173 -9.027 3.679 1.00 0.00 O ATOM 875 CB GLU A 56 -12.290 -5.426 3.512 1.00 0.00 C ATOM 876 CG GLU A 56 -13.248 -4.370 4.074 1.00 0.00 C ATOM 877 CD GLU A 56 -14.711 -4.693 3.763 1.00 0.00 C ATOM 878 OE1 GLU A 56 -14.962 -5.088 2.598 1.00 0.00 O ATOM 879 OE2 GLU A 56 -15.561 -4.591 4.669 1.00 0.00 O ATOM 0 H GLU A 56 -10.132 -6.238 4.114 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.672 -6.581 5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.309 -4.969 3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.638 -5.716 2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.115 -4.299 5.154 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.996 -3.395 3.657 1.00 0.00 H new ATOM 886 N GLY A 57 -13.872 -7.709 3.033 1.00 0.00 N ATOM 887 CA GLY A 57 -14.657 -8.725 2.328 1.00 0.00 C ATOM 888 C GLY A 57 -15.019 -8.355 0.897 1.00 0.00 C ATOM 889 O GLY A 57 -15.372 -9.207 0.085 1.00 0.00 O ATOM 0 H GLY A 57 -14.299 -6.784 2.993 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -14.095 -9.659 2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.575 -8.910 2.886 1.00 0.00 H new ATOM 893 N ASN A 58 -14.945 -7.068 0.589 1.00 0.00 N ATOM 894 CA ASN A 58 -14.807 -6.563 -0.773 1.00 0.00 C ATOM 895 C ASN A 58 -13.337 -6.725 -1.218 1.00 0.00 C ATOM 896 O ASN A 58 -13.032 -6.695 -2.410 1.00 0.00 O ATOM 897 CB ASN A 58 -15.263 -5.092 -0.804 1.00 0.00 C ATOM 898 CG ASN A 58 -14.146 -4.123 -0.764 1.00 0.00 C ATOM 899 OD1 ASN A 58 -13.604 -3.714 -1.785 1.00 0.00 O ATOM 900 ND2 ASN A 58 -13.830 -3.715 0.415 1.00 0.00 N ATOM 0 H ASN A 58 -14.980 -6.329 1.292 1.00 0.00 H new ATOM 0 HA ASN A 58 -15.431 -7.124 -1.469 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -15.849 -4.921 -1.707 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -15.923 -4.907 0.043 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -13.096 -3.017 0.533 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -14.314 -4.089 1.231 1.00 0.00 H new ATOM 907 N ASN A 59 -12.436 -6.877 -0.243 1.00 0.00 N ATOM 908 CA ASN A 59 -11.046 -7.275 -0.363 1.00 0.00 C ATOM 909 C ASN A 59 -10.960 -8.782 -0.153 1.00 0.00 C ATOM 910 O ASN A 59 -11.876 -9.346 0.439 1.00 0.00 O ATOM 911 CB ASN A 59 -10.290 -6.524 0.742 1.00 0.00 C ATOM 912 CG ASN A 59 -8.780 -6.710 0.734 1.00 0.00 C ATOM 913 OD1 ASN A 59 -8.185 -7.079 -0.269 1.00 0.00 O ATOM 914 ND2 ASN A 59 -8.150 -6.460 1.873 1.00 0.00 N ATOM 0 H ASN A 59 -12.691 -6.708 0.730 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.621 -7.041 -1.339 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.510 -5.460 0.652 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -10.675 -6.848 1.709 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.138 -6.574 1.932 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.677 -6.154 2.691 1.00 0.00 H new ATOM 921 N ASP A 60 -9.872 -9.388 -0.634 1.00 0.00 N ATOM 922 CA ASP A 60 -9.593 -10.826 -0.827 1.00 0.00 C ATOM 923 C ASP A 60 -8.966 -10.995 -2.205 1.00 0.00 C ATOM 924 O ASP A 60 -7.829 -11.441 -2.339 1.00 0.00 O ATOM 925 CB ASP A 60 -10.836 -11.743 -0.727 1.00 0.00 C ATOM 926 CG ASP A 60 -10.621 -13.131 -1.350 1.00 0.00 C ATOM 927 OD1 ASP A 60 -10.108 -14.024 -0.640 1.00 0.00 O ATOM 928 OD2 ASP A 60 -11.017 -13.296 -2.529 1.00 0.00 O ATOM 0 H ASP A 60 -9.074 -8.828 -0.932 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.931 -11.134 -0.018 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.107 -11.862 0.322 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.677 -11.257 -1.221 1.00 0.00 H new ATOM 933 N GLY A 61 -9.690 -10.539 -3.230 1.00 0.00 N ATOM 934 CA GLY A 61 -9.473 -11.020 -4.588 1.00 0.00 C ATOM 935 C GLY A 61 -8.130 -10.651 -5.211 1.00 0.00 C ATOM 936 O GLY A 61 -7.702 -11.315 -6.156 1.00 0.00 O ATOM 0 H GLY A 61 -10.428 -9.840 -3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.568 -12.106 -4.589 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.268 -10.630 -5.224 1.00 0.00 H new ATOM 940 N SER A 62 -7.487 -9.563 -4.775 1.00 0.00 N ATOM 941 CA SER A 62 -6.238 -9.096 -5.336 1.00 0.00 C ATOM 942 C SER A 62 -5.621 -8.035 -4.414 1.00 0.00 C ATOM 943 O SER A 62 -6.382 -7.301 -3.783 1.00 0.00 O ATOM 944 CB SER A 62 -6.625 -8.443 -6.661 1.00 0.00 C ATOM 945 OG SER A 62 -5.506 -8.067 -7.429 1.00 0.00 O ATOM 0 H SER A 62 -7.833 -8.982 -4.012 1.00 0.00 H new ATOM 0 HA SER A 62 -5.514 -9.902 -5.458 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.240 -9.135 -7.237 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.237 -7.563 -6.463 1.00 0.00 H new ATOM 0 HG SER A 62 -5.799 -7.805 -8.327 1.00 0.00 H new ATOM 951 N PRO A 63 -4.292 -7.812 -4.448 1.00 0.00 N ATOM 952 CA PRO A 63 -3.655 -6.637 -3.843 1.00 0.00 C ATOM 953 C PRO A 63 -4.175 -5.299 -4.387 1.00 0.00 C ATOM 954 O PRO A 63 -4.029 -4.263 -3.744 1.00 0.00 O ATOM 955 CB PRO A 63 -2.153 -6.787 -4.109 1.00 0.00 C ATOM 956 CG PRO A 63 -2.051 -7.820 -5.229 1.00 0.00 C ATOM 957 CD PRO A 63 -3.297 -8.677 -5.063 1.00 0.00 C ATOM 0 HA PRO A 63 -3.889 -6.606 -2.779 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.708 -5.837 -4.406 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.625 -7.120 -3.215 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.024 -7.343 -6.209 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.143 -8.416 -5.139 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.645 -9.052 -6.026 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.094 -9.546 -4.437 1.00 0.00 H new ATOM 965 N GLU A 64 -4.843 -5.316 -5.535 1.00 0.00 N ATOM 966 CA GLU A 64 -5.542 -4.188 -6.132 1.00 0.00 C ATOM 967 C GLU A 64 -6.583 -3.661 -5.155 1.00 0.00 C ATOM 968 O GLU A 64 -6.760 -2.457 -5.004 1.00 0.00 O ATOM 969 CB GLU A 64 -6.275 -4.664 -7.390 1.00 0.00 C ATOM 970 CG GLU A 64 -5.365 -5.074 -8.556 1.00 0.00 C ATOM 971 CD GLU A 64 -4.695 -3.922 -9.306 1.00 0.00 C ATOM 972 OE1 GLU A 64 -4.382 -2.881 -8.693 1.00 0.00 O ATOM 973 OE2 GLU A 64 -4.323 -4.129 -10.483 1.00 0.00 O ATOM 0 H GLU A 64 -4.914 -6.161 -6.102 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.822 -3.407 -6.376 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.906 -5.513 -7.125 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.938 -3.868 -7.729 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.588 -5.735 -8.172 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.954 -5.653 -9.267 1.00 0.00 H new ATOM 980 N ALA A 65 -7.271 -4.574 -4.470 1.00 0.00 N ATOM 981 CA ALA A 65 -8.216 -4.239 -3.425 1.00 0.00 C ATOM 982 C ALA A 65 -7.564 -3.554 -2.222 1.00 0.00 C ATOM 983 O ALA A 65 -8.294 -2.846 -1.531 1.00 0.00 O ATOM 984 CB ALA A 65 -9.005 -5.481 -2.998 1.00 0.00 C ATOM 0 H ALA A 65 -7.181 -5.577 -4.633 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.908 -3.510 -3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.711 -5.211 -2.212 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.550 -5.878 -3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.316 -6.238 -2.623 1.00 0.00 H new ATOM 990 N VAL A 66 -6.247 -3.660 -2.005 1.00 0.00 N ATOM 991 CA VAL A 66 -5.586 -2.754 -1.053 1.00 0.00 C ATOM 992 C VAL A 66 -5.418 -1.385 -1.717 1.00 0.00 C ATOM 993 O VAL A 66 -5.635 -0.380 -1.053 1.00 0.00 O ATOM 994 CB VAL A 66 -4.223 -3.292 -0.562 1.00 0.00 C ATOM 995 CG1 VAL A 66 -3.563 -2.337 0.432 1.00 0.00 C ATOM 996 CG2 VAL A 66 -4.287 -4.697 0.072 1.00 0.00 C ATOM 0 H VAL A 66 -5.634 -4.339 -2.457 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.216 -2.673 -0.167 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.623 -3.368 -1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.607 -2.750 0.754 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.398 -1.371 -0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.212 -2.207 1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.289 -4.999 0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.952 -4.676 0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.666 -5.410 -0.660 1.00 0.00 H new ATOM 1006 N ILE A 67 -5.053 -1.294 -3.002 1.00 0.00 N ATOM 1007 CA ILE A 67 -4.837 0.007 -3.658 1.00 0.00 C ATOM 1008 C ILE A 67 -6.110 0.808 -3.618 1.00 0.00 C ATOM 1009 O ILE A 67 -6.066 1.985 -3.274 1.00 0.00 O ATOM 1010 CB ILE A 67 -4.308 -0.137 -5.115 1.00 0.00 C ATOM 1011 CG1 ILE A 67 -2.780 -0.101 -5.112 1.00 0.00 C ATOM 1012 CG2 ILE A 67 -4.751 0.936 -6.122 1.00 0.00 C ATOM 1013 CD1 ILE A 67 -2.303 -1.220 -4.213 1.00 0.00 C ATOM 0 H ILE A 67 -4.901 -2.100 -3.608 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.060 0.535 -3.106 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.740 -1.083 -5.443 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.391 -0.228 -6.122 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.419 0.862 -4.750 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.315 0.721 -7.098 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.838 0.934 -6.202 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.414 1.915 -5.782 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.213 -1.226 -4.186 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.690 -1.067 -3.206 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.661 -2.174 -4.599 1.00 0.00 H new ATOM 1025 N LYS A 68 -7.218 0.141 -3.923 1.00 0.00 N ATOM 1026 CA LYS A 68 -8.560 0.641 -3.664 1.00 0.00 C ATOM 1027 C LYS A 68 -8.585 1.269 -2.307 1.00 0.00 C ATOM 1028 O LYS A 68 -8.744 2.466 -2.193 1.00 0.00 O ATOM 1029 CB LYS A 68 -9.590 -0.469 -3.644 1.00 0.00 C ATOM 1030 CG LYS A 68 -9.900 -1.039 -4.999 1.00 0.00 C ATOM 1031 CD LYS A 68 -11.259 -1.776 -4.961 1.00 0.00 C ATOM 1032 CE LYS A 68 -11.450 -2.974 -3.992 1.00 0.00 C ATOM 1033 NZ LYS A 68 -11.219 -2.712 -2.545 1.00 0.00 N ATOM 0 H LYS A 68 -7.207 -0.778 -4.365 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.802 1.345 -4.460 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.233 -1.270 -2.997 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.511 -0.088 -3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.930 -0.241 -5.741 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.111 -1.727 -5.303 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.025 -1.038 -4.723 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.465 -2.135 -5.969 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.467 -3.348 -4.111 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.778 -3.773 -4.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.903 -3.255 -1.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.253 -3.001 -2.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.339 -1.697 -2.352 1.00 0.00 H new ATOM 1047 N GLU A 69 -8.385 0.477 -1.277 1.00 0.00 N ATOM 1048 CA GLU A 69 -8.652 0.861 0.067 1.00 0.00 C ATOM 1049 C GLU A 69 -7.715 1.968 0.519 1.00 0.00 C ATOM 1050 O GLU A 69 -8.023 2.675 1.463 1.00 0.00 O ATOM 1051 CB GLU A 69 -8.453 -0.427 0.850 1.00 0.00 C ATOM 1052 CG GLU A 69 -9.780 -1.036 1.354 1.00 0.00 C ATOM 1053 CD GLU A 69 -10.735 -1.514 0.236 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -11.049 -0.746 -0.704 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -11.191 -2.680 0.271 1.00 0.00 O ATOM 0 H GLU A 69 -8.023 -0.472 -1.367 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.650 1.275 0.208 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.942 -1.154 0.219 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.802 -0.231 1.702 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.553 -1.880 2.005 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.297 -0.294 1.963 1.00 0.00 H new ATOM 1062 N ILE A 70 -6.597 2.178 -0.163 1.00 0.00 N ATOM 1063 CA ILE A 70 -5.663 3.212 0.111 1.00 0.00 C ATOM 1064 C ILE A 70 -6.233 4.454 -0.549 1.00 0.00 C ATOM 1065 O ILE A 70 -6.511 5.421 0.152 1.00 0.00 O ATOM 1066 CB ILE A 70 -4.298 2.844 -0.410 1.00 0.00 C ATOM 1067 CG1 ILE A 70 -3.677 1.711 0.419 1.00 0.00 C ATOM 1068 CG2 ILE A 70 -3.410 4.081 -0.381 1.00 0.00 C ATOM 1069 CD1 ILE A 70 -4.338 1.026 1.626 1.00 0.00 C ATOM 0 H ILE A 70 -6.323 1.595 -0.954 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.523 3.381 1.179 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.390 2.484 -1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.452 0.913 -0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.723 2.095 0.781 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.419 3.826 -0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.847 4.857 -1.009 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.328 4.446 0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.671 0.259 2.019 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.536 1.766 2.401 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.276 0.566 1.315 1.00 0.00 H new ATOM 1081 N LYS A 71 -6.389 4.430 -1.885 1.00 0.00 N ATOM 1082 CA LYS A 71 -6.965 5.533 -2.656 1.00 0.00 C ATOM 1083 C LYS A 71 -8.200 6.026 -1.951 1.00 0.00 C ATOM 1084 O LYS A 71 -8.291 7.214 -1.635 1.00 0.00 O ATOM 1085 CB LYS A 71 -7.438 5.098 -4.058 1.00 0.00 C ATOM 1086 CG LYS A 71 -6.368 4.614 -5.029 1.00 0.00 C ATOM 1087 CD LYS A 71 -6.983 3.648 -6.055 1.00 0.00 C ATOM 1088 CE LYS A 71 -8.003 4.319 -6.979 1.00 0.00 C ATOM 1089 NZ LYS A 71 -7.319 4.973 -8.113 1.00 0.00 N ATOM 0 H LYS A 71 -6.114 3.634 -2.460 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.183 6.287 -2.748 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.171 4.300 -3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.956 5.940 -4.517 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.920 5.465 -5.542 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.568 4.115 -4.482 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.186 3.214 -6.659 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.466 2.826 -5.527 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.709 3.577 -7.351 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.580 5.056 -6.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.947 5.689 -8.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.448 5.431 -7.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.079 4.260 -8.832 1.00 0.00 H new ATOM 1103 N GLU A 72 -9.131 5.116 -1.692 1.00 0.00 N ATOM 1104 CA GLU A 72 -10.463 5.519 -1.457 1.00 0.00 C ATOM 1105 C GLU A 72 -10.661 5.809 0.032 1.00 0.00 C ATOM 1106 O GLU A 72 -11.447 6.695 0.367 1.00 0.00 O ATOM 1107 CB GLU A 72 -11.303 4.421 -2.105 1.00 0.00 C ATOM 1108 CG GLU A 72 -12.059 4.924 -3.335 1.00 0.00 C ATOM 1109 CD GLU A 72 -11.096 5.368 -4.459 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -10.669 4.513 -5.271 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -10.768 6.575 -4.501 1.00 0.00 O ATOM 0 H GLU A 72 -8.966 4.111 -1.645 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.770 6.466 -1.901 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.656 3.592 -2.392 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -12.015 4.032 -1.377 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.713 4.135 -3.707 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.698 5.761 -3.052 1.00 0.00 H new ATOM 1118 N TRP A 73 -9.857 5.212 0.927 1.00 0.00 N ATOM 1119 CA TRP A 73 -9.676 5.740 2.271 1.00 0.00 C ATOM 1120 C TRP A 73 -9.106 7.147 2.230 1.00 0.00 C ATOM 1121 O TRP A 73 -9.683 8.021 2.873 1.00 0.00 O ATOM 1122 CB TRP A 73 -8.832 4.843 3.140 1.00 0.00 C ATOM 1123 CG TRP A 73 -8.718 5.345 4.534 1.00 0.00 C ATOM 1124 CD1 TRP A 73 -9.567 5.085 5.548 1.00 0.00 C ATOM 1125 CD2 TRP A 73 -7.712 6.236 5.059 1.00 0.00 C ATOM 1126 NE1 TRP A 73 -9.149 5.763 6.676 1.00 0.00 N ATOM 1127 CE2 TRP A 73 -8.024 6.522 6.415 1.00 0.00 C ATOM 1128 CE3 TRP A 73 -6.555 6.812 4.508 1.00 0.00 C ATOM 1129 CZ2 TRP A 73 -7.217 7.363 7.190 1.00 0.00 C ATOM 1130 CZ3 TRP A 73 -5.739 7.655 5.269 1.00 0.00 C ATOM 1131 CH2 TRP A 73 -6.073 7.937 6.596 1.00 0.00 C ATOM 0 H TRP A 73 -9.325 4.363 0.735 1.00 0.00 H new ATOM 0 HA TRP A 73 -10.665 5.778 2.727 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.264 3.842 3.152 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -7.836 4.755 2.706 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.437 4.447 5.488 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -9.611 5.710 7.584 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -6.292 6.601 3.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -7.465 7.568 8.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -4.851 8.088 4.831 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -5.448 8.602 7.174 1.00 0.00 H new ATOM 1142 N ARG A 74 -7.984 7.395 1.536 1.00 0.00 N ATOM 1143 CA ARG A 74 -7.345 8.704 1.524 1.00 0.00 C ATOM 1144 C ARG A 74 -8.348 9.741 1.042 1.00 0.00 C ATOM 1145 O ARG A 74 -8.531 10.743 1.732 1.00 0.00 O ATOM 1146 CB ARG A 74 -6.091 8.666 0.637 1.00 0.00 C ATOM 1147 CG ARG A 74 -4.981 7.745 1.174 1.00 0.00 C ATOM 1148 CD ARG A 74 -4.082 8.412 2.209 1.00 0.00 C ATOM 1149 NE ARG A 74 -3.227 9.423 1.571 1.00 0.00 N ATOM 1150 CZ ARG A 74 -2.366 10.237 2.182 1.00 0.00 C ATOM 1151 NH1 ARG A 74 -2.028 10.033 3.446 1.00 0.00 N ATOM 1152 NH2 ARG A 74 -1.878 11.272 1.510 1.00 0.00 N ATOM 0 H ARG A 74 -7.503 6.693 0.973 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.025 8.978 2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.374 8.335 -0.362 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.696 9.677 0.538 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.438 6.860 1.618 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.369 7.403 0.340 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.692 8.878 2.983 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.463 7.661 2.700 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.300 9.511 0.557 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.427 9.248 3.960 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.368 10.661 3.905 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.163 11.433 0.544 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.218 11.907 1.960 1.00 0.00 H new ATOM 1166 N ALA A 75 -9.014 9.488 -0.084 1.00 0.00 N ATOM 1167 CA ALA A 75 -9.971 10.391 -0.675 1.00 0.00 C ATOM 1168 C ALA A 75 -11.194 10.594 0.218 1.00 0.00 C ATOM 1169 O ALA A 75 -11.631 11.734 0.361 1.00 0.00 O ATOM 1170 CB ALA A 75 -10.379 9.880 -2.062 1.00 0.00 C ATOM 0 H ALA A 75 -8.892 8.626 -0.615 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.495 11.366 -0.781 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.102 10.566 -2.504 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.498 9.820 -2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.827 8.891 -1.968 1.00 0.00 H new ATOM 1176 N ALA A 76 -11.734 9.543 0.851 1.00 0.00 N ATOM 1177 CA ALA A 76 -12.819 9.688 1.822 1.00 0.00 C ATOM 1178 C ALA A 76 -12.365 10.526 3.020 1.00 0.00 C ATOM 1179 O ALA A 76 -13.124 11.347 3.530 1.00 0.00 O ATOM 1180 CB ALA A 76 -13.314 8.313 2.285 1.00 0.00 C ATOM 0 H ALA A 76 -11.433 8.580 0.704 1.00 0.00 H new ATOM 0 HA ALA A 76 -13.645 10.206 1.336 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -14.121 8.441 3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -13.681 7.750 1.427 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -12.493 7.769 2.751 1.00 0.00 H new ATOM 1186 N ASN A 77 -11.114 10.349 3.454 1.00 0.00 N ATOM 1187 CA ASN A 77 -10.458 11.220 4.433 1.00 0.00 C ATOM 1188 C ASN A 77 -10.232 12.657 3.929 1.00 0.00 C ATOM 1189 O ASN A 77 -9.823 13.503 4.723 1.00 0.00 O ATOM 1190 CB ASN A 77 -9.109 10.614 4.872 1.00 0.00 C ATOM 1191 CG ASN A 77 -9.098 10.190 6.324 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -8.327 10.714 7.124 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -9.918 9.214 6.675 1.00 0.00 N ATOM 0 H ASN A 77 -10.520 9.586 3.130 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.141 11.284 5.280 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -8.883 9.751 4.245 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.317 11.345 4.706 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.923 8.873 7.636 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -10.545 8.802 5.984 1.00 0.00 H new ATOM 1200 N GLY A 78 -10.448 12.949 2.643 1.00 0.00 N ATOM 1201 CA GLY A 78 -10.277 14.263 2.030 1.00 0.00 C ATOM 1202 C GLY A 78 -8.883 14.503 1.441 1.00 0.00 C ATOM 1203 O GLY A 78 -8.563 15.638 1.088 1.00 0.00 O ATOM 0 H GLY A 78 -10.760 12.244 1.975 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -11.019 14.383 1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.481 15.030 2.777 1.00 0.00 H new ATOM 1207 N LYS A 79 -8.022 13.484 1.366 1.00 0.00 N ATOM 1208 CA LYS A 79 -6.595 13.587 1.158 1.00 0.00 C ATOM 1209 C LYS A 79 -6.191 12.930 -0.152 1.00 0.00 C ATOM 1210 O LYS A 79 -6.880 12.050 -0.662 1.00 0.00 O ATOM 1211 CB LYS A 79 -5.930 12.879 2.345 1.00 0.00 C ATOM 1212 CG LYS A 79 -6.428 13.461 3.675 1.00 0.00 C ATOM 1213 CD LYS A 79 -5.562 13.147 4.898 1.00 0.00 C ATOM 1214 CE LYS A 79 -5.524 11.640 5.182 1.00 0.00 C ATOM 1215 NZ LYS A 79 -5.632 11.349 6.626 1.00 0.00 N ATOM 0 H LYS A 79 -8.330 12.516 1.455 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.284 14.630 1.097 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.147 11.812 2.306 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.847 12.987 2.278 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.502 14.544 3.573 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.436 13.089 3.860 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.549 13.514 4.733 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.954 13.674 5.768 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.340 11.150 4.651 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.595 11.221 4.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.450 10.338 6.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.933 11.916 7.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.588 11.587 6.958 1.00 0.00 H new ATOM 1229 N SER A 80 -5.038 13.331 -0.679 1.00 0.00 N ATOM 1230 CA SER A 80 -4.531 12.832 -1.942 1.00 0.00 C ATOM 1231 C SER A 80 -4.189 11.344 -1.860 1.00 0.00 C ATOM 1232 O SER A 80 -3.568 10.895 -0.887 1.00 0.00 O ATOM 1233 CB SER A 80 -3.275 13.629 -2.315 1.00 0.00 C ATOM 1234 OG SER A 80 -3.499 15.021 -2.150 1.00 0.00 O ATOM 0 H SER A 80 -4.428 14.017 -0.234 1.00 0.00 H new ATOM 0 HA SER A 80 -5.303 12.954 -2.702 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.439 13.313 -1.691 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.998 13.420 -3.348 1.00 0.00 H new ATOM 0 HG SER A 80 -2.687 15.514 -2.391 1.00 0.00 H new ATOM 1240 N GLY A 81 -4.571 10.611 -2.906 1.00 0.00 N ATOM 1241 CA GLY A 81 -3.992 9.332 -3.265 1.00 0.00 C ATOM 1242 C GLY A 81 -2.726 9.632 -4.072 1.00 0.00 C ATOM 1243 O GLY A 81 -2.235 10.767 -4.079 1.00 0.00 O ATOM 0 H GLY A 81 -5.314 10.906 -3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.754 8.751 -2.374 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.694 8.741 -3.853 1.00 0.00 H new ATOM 1247 N PHE A 82 -2.194 8.611 -4.732 1.00 0.00 N ATOM 1248 CA PHE A 82 -1.091 8.730 -5.660 1.00 0.00 C ATOM 1249 C PHE A 82 -1.484 9.508 -6.906 1.00 0.00 C ATOM 1250 O PHE A 82 -2.635 9.898 -7.116 1.00 0.00 O ATOM 1251 CB PHE A 82 -0.506 7.333 -5.978 1.00 0.00 C ATOM 1252 CG PHE A 82 -1.168 6.152 -5.300 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -2.370 5.642 -5.813 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -0.601 5.572 -4.154 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -2.977 4.531 -5.209 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -1.242 4.488 -3.531 1.00 0.00 C ATOM 1257 CZ PHE A 82 -2.431 3.958 -4.050 1.00 0.00 C ATOM 0 H PHE A 82 -2.531 7.654 -4.629 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.300 9.313 -5.188 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.556 7.180 -7.056 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.549 7.335 -5.705 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.829 6.105 -6.674 1.00 0.00 H new ATOM 0 HD2 PHE A 82 0.325 5.958 -3.753 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.874 4.112 -5.640 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.812 4.057 -2.639 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.918 3.124 -3.567 1.00 0.00 H new ATOM 1267 N LYS A 83 -0.469 9.725 -7.738 1.00 0.00 N ATOM 1268 CA LYS A 83 -0.525 10.223 -9.078 1.00 0.00 C ATOM 1269 C LYS A 83 -1.761 9.719 -9.809 1.00 0.00 C ATOM 1270 O LYS A 83 -2.051 8.529 -9.864 1.00 0.00 O ATOM 1271 CB LYS A 83 0.741 9.689 -9.715 1.00 0.00 C ATOM 1272 CG LYS A 83 1.092 10.346 -11.044 1.00 0.00 C ATOM 1273 CD LYS A 83 0.646 9.392 -12.138 1.00 0.00 C ATOM 1274 CE LYS A 83 1.617 8.212 -12.268 1.00 0.00 C ATOM 1275 NZ LYS A 83 1.220 7.274 -13.333 1.00 0.00 N ATOM 0 H LYS A 83 0.491 9.535 -7.450 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.591 11.310 -9.116 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.571 9.829 -9.022 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.632 8.616 -9.870 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.591 11.309 -11.143 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.163 10.536 -11.110 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.355 9.021 -11.916 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.586 9.924 -13.087 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.618 8.590 -12.475 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.667 7.679 -11.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.906 6.494 -13.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.276 6.892 -13.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.198 7.773 -14.245 1.00 0.00 H new