USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 381 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: B 26 TYR OH : rot 180:sc= 0.453 USER MOD Set 1.2: B 28 LYS NZ :NH3+ -170:sc= 0.5 (180deg=0) USER MOD Set 2.1: A 12 SER OG : rot 180:sc= -0.0147 USER MOD Set 2.2: B 1 PHE N :NH3+ -139:sc= 0.047 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 178:sc= 1.19 (180deg=1.17) USER MOD Single : A 5 GLN : amide:sc= 0.229 X(o=0.23,f=-0.083) USER MOD Single : A 8 THR OG1 : rot -38:sc= 0.035 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0489 K(o=-0.049,f=-0.76) USER MOD Single : A 18 ASN : amide:sc= -0.0114 X(o=-0.011,f=-0.3) USER MOD Single : A 19 TYR OH : rot 150:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.842 K(o=0.84,f=-0.1) USER MOD Single : B 3 ASN : amide:sc=-0.000243 X(o=-0.00024,f=-0.00024) USER MOD Single : B 4 GLN : amide:sc= 0.496 K(o=0.5,f=-3.5!) USER MOD Single : B 5 HIS : no HE2:sc= 0.735 K(o=0.73,f=-2.5!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot 30:sc= 0.0783 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.731 4.379 -2.517 1.00 0.00 N ATOM 2 CA GLY A 1 1.614 3.125 -3.293 1.00 0.00 C ATOM 3 C GLY A 1 2.984 2.609 -3.720 1.00 0.00 C ATOM 4 O GLY A 1 4.004 2.964 -3.128 1.00 0.00 O ATOM 0 H1 GLY A 1 0.782 4.724 -2.269 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.272 4.200 -1.647 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.222 5.096 -3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.109 2.369 -2.692 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.996 3.296 -4.175 1.00 0.00 H new ATOM 10 N ILE A 2 3.034 1.763 -4.755 1.00 0.00 N ATOM 11 CA ILE A 2 4.292 1.156 -5.235 1.00 0.00 C ATOM 12 C ILE A 2 5.180 2.115 -6.047 1.00 0.00 C ATOM 13 O ILE A 2 6.396 1.943 -6.088 1.00 0.00 O ATOM 14 CB ILE A 2 4.020 -0.165 -5.981 1.00 0.00 C ATOM 15 CG1 ILE A 2 5.357 -0.879 -6.275 1.00 0.00 C ATOM 16 CG2 ILE A 2 3.194 0.087 -7.248 1.00 0.00 C ATOM 17 CD1 ILE A 2 5.246 -2.262 -6.889 1.00 0.00 C ATOM 0 H ILE A 2 2.211 1.477 -5.285 1.00 0.00 H new ATOM 0 HA ILE A 2 4.877 0.926 -4.344 1.00 0.00 H new ATOM 0 HB ILE A 2 3.424 -0.826 -5.351 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.943 -0.250 -6.945 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.917 -0.960 -5.343 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.014 -0.859 -7.759 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.241 0.540 -6.977 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.740 0.759 -7.910 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.244 -2.669 -7.053 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.694 -2.916 -6.215 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.720 -2.196 -7.842 1.00 0.00 H new ATOM 29 N VAL A 3 4.624 3.172 -6.646 1.00 0.00 N ATOM 30 CA VAL A 3 5.427 4.209 -7.328 1.00 0.00 C ATOM 31 C VAL A 3 6.402 4.865 -6.334 1.00 0.00 C ATOM 32 O VAL A 3 7.578 5.070 -6.642 1.00 0.00 O ATOM 33 CB VAL A 3 4.497 5.231 -8.008 1.00 0.00 C ATOM 34 CG1 VAL A 3 5.268 6.359 -8.704 1.00 0.00 C ATOM 35 CG2 VAL A 3 3.626 4.551 -9.077 1.00 0.00 C ATOM 0 H VAL A 3 3.618 3.339 -6.676 1.00 0.00 H new ATOM 0 HA VAL A 3 6.032 3.752 -8.111 1.00 0.00 H new ATOM 0 HB VAL A 3 3.886 5.650 -7.208 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.563 7.050 -9.166 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.872 6.893 -7.971 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.918 5.937 -9.471 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.977 5.293 -9.544 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.266 4.100 -9.835 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.016 3.777 -8.611 1.00 0.00 H new ATOM 45 N GLU A 4 5.966 5.058 -5.086 1.00 0.00 N ATOM 46 CA GLU A 4 6.788 5.523 -3.959 1.00 0.00 C ATOM 47 C GLU A 4 7.734 4.441 -3.383 1.00 0.00 C ATOM 48 O GLU A 4 8.540 4.735 -2.499 1.00 0.00 O ATOM 49 CB GLU A 4 5.876 6.095 -2.853 1.00 0.00 C ATOM 50 CG GLU A 4 5.058 7.335 -3.265 1.00 0.00 C ATOM 51 CD GLU A 4 3.944 7.058 -4.293 1.00 0.00 C ATOM 52 OE1 GLU A 4 3.292 5.987 -4.216 1.00 0.00 O ATOM 53 OE2 GLU A 4 3.714 7.919 -5.175 1.00 0.00 O ATOM 0 H GLU A 4 4.996 4.889 -4.820 1.00 0.00 H new ATOM 0 HA GLU A 4 7.441 6.304 -4.349 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.188 5.314 -2.530 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.492 6.353 -1.992 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.610 7.771 -2.372 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.737 8.081 -3.677 1.00 0.00 H new ATOM 60 N GLN A 5 7.667 3.199 -3.882 1.00 0.00 N ATOM 61 CA GLN A 5 8.500 2.065 -3.466 1.00 0.00 C ATOM 62 C GLN A 5 9.569 1.680 -4.500 1.00 0.00 C ATOM 63 O GLN A 5 10.719 1.466 -4.120 1.00 0.00 O ATOM 64 CB GLN A 5 7.598 0.860 -3.130 1.00 0.00 C ATOM 65 CG GLN A 5 8.357 -0.323 -2.506 1.00 0.00 C ATOM 66 CD GLN A 5 9.136 0.027 -1.237 1.00 0.00 C ATOM 67 OE1 GLN A 5 8.647 -0.067 -0.119 1.00 0.00 O ATOM 68 NE2 GLN A 5 10.385 0.429 -1.357 1.00 0.00 N ATOM 0 H GLN A 5 7.004 2.948 -4.616 1.00 0.00 H new ATOM 0 HA GLN A 5 9.049 2.377 -2.578 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.816 1.183 -2.442 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.102 0.523 -4.040 1.00 0.00 H new ATOM 0 HG2 GLN A 5 7.645 -1.115 -2.274 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.051 -0.725 -3.245 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.807 0.513 -2.282 1.00 0.00 H new ATOM 0 HE22 GLN A 5 10.930 0.657 -0.525 1.00 0.00 H new ATOM 77 N CYS A 6 9.195 1.572 -5.777 1.00 0.00 N ATOM 78 CA CYS A 6 10.025 1.018 -6.855 1.00 0.00 C ATOM 79 C CYS A 6 10.432 2.045 -7.928 1.00 0.00 C ATOM 80 O CYS A 6 11.487 1.897 -8.541 1.00 0.00 O ATOM 81 CB CYS A 6 9.260 -0.142 -7.509 1.00 0.00 C ATOM 82 SG CYS A 6 8.982 -1.627 -6.509 1.00 0.00 S ATOM 0 H CYS A 6 8.277 1.877 -6.102 1.00 0.00 H new ATOM 0 HA CYS A 6 10.957 0.681 -6.401 1.00 0.00 H new ATOM 0 HB2 CYS A 6 8.289 0.234 -7.831 1.00 0.00 H new ATOM 0 HB3 CYS A 6 9.801 -0.438 -8.408 1.00 0.00 H new ATOM 87 N CYS A 7 9.634 3.096 -8.166 1.00 0.00 N ATOM 88 CA CYS A 7 9.970 4.112 -9.178 1.00 0.00 C ATOM 89 C CYS A 7 10.940 5.165 -8.608 1.00 0.00 C ATOM 90 O CYS A 7 11.949 5.499 -9.233 1.00 0.00 O ATOM 91 CB CYS A 7 8.685 4.740 -9.731 1.00 0.00 C ATOM 92 SG CYS A 7 8.928 5.779 -11.202 1.00 0.00 S ATOM 0 H CYS A 7 8.756 3.266 -7.675 1.00 0.00 H new ATOM 0 HA CYS A 7 10.490 3.632 -10.007 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.982 3.943 -9.976 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.224 5.342 -8.948 1.00 0.00 H new ATOM 97 N THR A 8 10.676 5.651 -7.387 1.00 0.00 N ATOM 98 CA THR A 8 11.494 6.675 -6.701 1.00 0.00 C ATOM 99 C THR A 8 12.642 6.104 -5.849 1.00 0.00 C ATOM 100 O THR A 8 13.494 6.859 -5.376 1.00 0.00 O ATOM 101 CB THR A 8 10.579 7.594 -5.870 1.00 0.00 C ATOM 102 OG1 THR A 8 11.191 8.850 -5.639 1.00 0.00 O ATOM 103 CG2 THR A 8 10.154 7.008 -4.524 1.00 0.00 C ATOM 0 H THR A 8 9.876 5.342 -6.835 1.00 0.00 H new ATOM 0 HA THR A 8 11.991 7.253 -7.480 1.00 0.00 H new ATOM 0 HB THR A 8 9.680 7.706 -6.476 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.150 8.723 -5.481 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.512 7.719 -4.004 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.608 6.079 -4.688 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.038 6.808 -3.919 1.00 0.00 H new ATOM 111 N SER A 9 12.672 4.781 -5.646 1.00 0.00 N ATOM 112 CA SER A 9 13.694 4.061 -4.863 1.00 0.00 C ATOM 113 C SER A 9 13.866 2.608 -5.342 1.00 0.00 C ATOM 114 O SER A 9 13.084 2.118 -6.156 1.00 0.00 O ATOM 115 CB SER A 9 13.317 4.084 -3.375 1.00 0.00 C ATOM 116 OG SER A 9 14.451 3.769 -2.580 1.00 0.00 O ATOM 0 H SER A 9 11.963 4.158 -6.034 1.00 0.00 H new ATOM 0 HA SER A 9 14.647 4.569 -5.010 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.935 5.068 -3.104 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.518 3.368 -3.183 1.00 0.00 H new ATOM 0 HG SER A 9 14.202 3.788 -1.632 1.00 0.00 H new ATOM 122 N ILE A 10 14.879 1.903 -4.837 1.00 0.00 N ATOM 123 CA ILE A 10 15.105 0.465 -5.079 1.00 0.00 C ATOM 124 C ILE A 10 14.116 -0.363 -4.236 1.00 0.00 C ATOM 125 O ILE A 10 13.806 0.000 -3.097 1.00 0.00 O ATOM 126 CB ILE A 10 16.587 0.096 -4.802 1.00 0.00 C ATOM 127 CG1 ILE A 10 17.512 0.883 -5.760 1.00 0.00 C ATOM 128 CG2 ILE A 10 16.834 -1.416 -4.957 1.00 0.00 C ATOM 129 CD1 ILE A 10 19.005 0.773 -5.432 1.00 0.00 C ATOM 0 H ILE A 10 15.587 2.320 -4.232 1.00 0.00 H new ATOM 0 HA ILE A 10 14.917 0.230 -6.127 1.00 0.00 H new ATOM 0 HB ILE A 10 16.813 0.366 -3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 10 17.349 0.527 -6.777 1.00 0.00 H new ATOM 0 HG13 ILE A 10 17.225 1.934 -5.741 1.00 0.00 H new ATOM 0 HG21 ILE A 10 17.882 -1.636 -4.755 1.00 0.00 H new ATOM 0 HG22 ILE A 10 16.207 -1.961 -4.252 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.588 -1.723 -5.974 1.00 0.00 H new ATOM 0 HD11 ILE A 10 19.580 1.354 -6.153 1.00 0.00 H new ATOM 0 HD12 ILE A 10 19.186 1.158 -4.428 1.00 0.00 H new ATOM 0 HD13 ILE A 10 19.312 -0.272 -5.481 1.00 0.00 H new ATOM 141 N CYS A 11 13.632 -1.488 -4.775 1.00 0.00 N ATOM 142 CA CYS A 11 12.674 -2.383 -4.107 1.00 0.00 C ATOM 143 C CYS A 11 13.003 -3.877 -4.301 1.00 0.00 C ATOM 144 O CYS A 11 13.791 -4.246 -5.173 1.00 0.00 O ATOM 145 CB CYS A 11 11.258 -2.026 -4.573 1.00 0.00 C ATOM 146 SG CYS A 11 10.830 -2.458 -6.278 1.00 0.00 S ATOM 0 H CYS A 11 13.899 -1.810 -5.705 1.00 0.00 H new ATOM 0 HA CYS A 11 12.746 -2.227 -3.031 1.00 0.00 H new ATOM 0 HB2 CYS A 11 10.547 -2.518 -3.909 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.120 -0.952 -4.449 1.00 0.00 H new ATOM 151 N SER A 12 12.398 -4.734 -3.466 1.00 0.00 N ATOM 152 CA SER A 12 12.628 -6.186 -3.434 1.00 0.00 C ATOM 153 C SER A 12 11.331 -6.987 -3.290 1.00 0.00 C ATOM 154 O SER A 12 10.271 -6.422 -3.019 1.00 0.00 O ATOM 155 CB SER A 12 13.585 -6.525 -2.282 1.00 0.00 C ATOM 156 OG SER A 12 14.149 -7.811 -2.475 1.00 0.00 O ATOM 0 H SER A 12 11.715 -4.427 -2.774 1.00 0.00 H new ATOM 0 HA SER A 12 13.070 -6.469 -4.389 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.377 -5.778 -2.226 1.00 0.00 H new ATOM 0 HB3 SER A 12 13.049 -6.494 -1.333 1.00 0.00 H new ATOM 0 HG SER A 12 14.759 -8.015 -1.735 1.00 0.00 H new ATOM 162 N LEU A 13 11.428 -8.316 -3.387 1.00 0.00 N ATOM 163 CA LEU A 13 10.361 -9.290 -3.106 1.00 0.00 C ATOM 164 C LEU A 13 9.607 -8.972 -1.805 1.00 0.00 C ATOM 165 O LEU A 13 8.377 -9.021 -1.775 1.00 0.00 O ATOM 166 CB LEU A 13 10.974 -10.707 -3.001 1.00 0.00 C ATOM 167 CG LEU A 13 10.927 -11.517 -4.311 1.00 0.00 C ATOM 168 CD1 LEU A 13 11.842 -10.948 -5.395 1.00 0.00 C ATOM 169 CD2 LEU A 13 11.363 -12.962 -4.052 1.00 0.00 C ATOM 0 H LEU A 13 12.295 -8.768 -3.678 1.00 0.00 H new ATOM 0 HA LEU A 13 9.646 -9.237 -3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.012 -10.618 -2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.446 -11.262 -2.225 1.00 0.00 H new ATOM 0 HG LEU A 13 9.896 -11.466 -4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.766 -11.560 -6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.541 -9.926 -5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.873 -10.951 -5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.326 -13.526 -4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.381 -12.971 -3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.692 -13.420 -3.325 1.00 0.00 H new ATOM 181 N TYR A 14 10.336 -8.567 -0.763 1.00 0.00 N ATOM 182 CA TYR A 14 9.775 -8.291 0.567 1.00 0.00 C ATOM 183 C TYR A 14 8.852 -7.058 0.603 1.00 0.00 C ATOM 184 O TYR A 14 8.099 -6.881 1.560 1.00 0.00 O ATOM 185 CB TYR A 14 10.929 -8.156 1.576 1.00 0.00 C ATOM 186 CG TYR A 14 11.906 -9.319 1.560 1.00 0.00 C ATOM 187 CD1 TYR A 14 11.501 -10.582 2.037 1.00 0.00 C ATOM 188 CD2 TYR A 14 13.206 -9.148 1.044 1.00 0.00 C ATOM 189 CE1 TYR A 14 12.388 -11.676 1.986 1.00 0.00 C ATOM 190 CE2 TYR A 14 14.097 -10.238 0.997 1.00 0.00 C ATOM 191 CZ TYR A 14 13.692 -11.507 1.465 1.00 0.00 C ATOM 192 OH TYR A 14 14.559 -12.554 1.422 1.00 0.00 O ATOM 0 H TYR A 14 11.344 -8.419 -0.817 1.00 0.00 H new ATOM 0 HA TYR A 14 9.136 -9.131 0.838 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.474 -7.235 1.368 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.512 -8.060 2.578 1.00 0.00 H new ATOM 0 HD1 TYR A 14 10.508 -10.712 2.443 1.00 0.00 H new ATOM 0 HD2 TYR A 14 13.520 -8.179 0.684 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.072 -12.644 2.345 1.00 0.00 H new ATOM 0 HE2 TYR A 14 15.093 -10.103 0.602 1.00 0.00 H new ATOM 0 HH TYR A 14 15.409 -12.259 1.033 1.00 0.00 H new ATOM 202 N GLN A 15 8.890 -6.222 -0.442 1.00 0.00 N ATOM 203 CA GLN A 15 7.944 -5.126 -0.671 1.00 0.00 C ATOM 204 C GLN A 15 6.966 -5.444 -1.815 1.00 0.00 C ATOM 205 O GLN A 15 5.781 -5.149 -1.699 1.00 0.00 O ATOM 206 CB GLN A 15 8.706 -3.819 -0.941 1.00 0.00 C ATOM 207 CG GLN A 15 9.653 -3.406 0.197 1.00 0.00 C ATOM 208 CD GLN A 15 8.961 -3.076 1.527 1.00 0.00 C ATOM 209 OE1 GLN A 15 7.747 -2.976 1.659 1.00 0.00 O ATOM 210 NE2 GLN A 15 9.726 -2.897 2.585 1.00 0.00 N ATOM 0 H GLN A 15 9.600 -6.292 -1.171 1.00 0.00 H new ATOM 0 HA GLN A 15 7.346 -5.003 0.232 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.283 -3.929 -1.859 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.986 -3.018 -1.111 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.367 -4.212 0.366 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.225 -2.535 -0.124 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.740 -2.975 2.501 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.305 -2.680 3.488 1.00 0.00 H new ATOM 219 N LEU A 16 7.428 -6.099 -2.886 1.00 0.00 N ATOM 220 CA LEU A 16 6.611 -6.460 -4.052 1.00 0.00 C ATOM 221 C LEU A 16 5.440 -7.392 -3.676 1.00 0.00 C ATOM 222 O LEU A 16 4.322 -7.189 -4.150 1.00 0.00 O ATOM 223 CB LEU A 16 7.525 -7.085 -5.129 1.00 0.00 C ATOM 224 CG LEU A 16 8.430 -6.069 -5.854 1.00 0.00 C ATOM 225 CD1 LEU A 16 9.520 -6.771 -6.660 1.00 0.00 C ATOM 226 CD2 LEU A 16 7.631 -5.209 -6.829 1.00 0.00 C ATOM 0 H LEU A 16 8.399 -6.399 -2.969 1.00 0.00 H new ATOM 0 HA LEU A 16 6.151 -5.558 -4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.152 -7.845 -4.662 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.904 -7.593 -5.867 1.00 0.00 H new ATOM 0 HG LEU A 16 8.873 -5.448 -5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 16 10.140 -6.026 -7.159 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.139 -7.370 -5.991 1.00 0.00 H new ATOM 0 HD13 LEU A 16 9.060 -7.419 -7.406 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.299 -4.503 -7.323 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.160 -5.848 -7.576 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.862 -4.661 -6.285 1.00 0.00 H new ATOM 238 N GLU A 17 5.643 -8.339 -2.755 1.00 0.00 N ATOM 239 CA GLU A 17 4.569 -9.205 -2.244 1.00 0.00 C ATOM 240 C GLU A 17 3.430 -8.456 -1.519 1.00 0.00 C ATOM 241 O GLU A 17 2.331 -9.003 -1.387 1.00 0.00 O ATOM 242 CB GLU A 17 5.169 -10.273 -1.317 1.00 0.00 C ATOM 243 CG GLU A 17 5.931 -11.327 -2.119 1.00 0.00 C ATOM 244 CD GLU A 17 6.348 -12.521 -1.239 1.00 0.00 C ATOM 245 OE1 GLU A 17 5.542 -13.470 -1.078 1.00 0.00 O ATOM 246 OE2 GLU A 17 7.487 -12.530 -0.711 1.00 0.00 O ATOM 0 H GLU A 17 6.556 -8.529 -2.341 1.00 0.00 H new ATOM 0 HA GLU A 17 4.107 -9.662 -3.119 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.840 -9.801 -0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.374 -10.751 -0.744 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.308 -11.680 -2.940 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.818 -10.875 -2.564 1.00 0.00 H new ATOM 253 N ASN A 18 3.641 -7.204 -1.090 1.00 0.00 N ATOM 254 CA ASN A 18 2.622 -6.400 -0.398 1.00 0.00 C ATOM 255 C ASN A 18 1.553 -5.811 -1.347 1.00 0.00 C ATOM 256 O ASN A 18 0.561 -5.252 -0.873 1.00 0.00 O ATOM 257 CB ASN A 18 3.307 -5.307 0.449 1.00 0.00 C ATOM 258 CG ASN A 18 4.255 -5.856 1.506 1.00 0.00 C ATOM 259 OD1 ASN A 18 4.118 -6.966 2.002 1.00 0.00 O ATOM 260 ND2 ASN A 18 5.246 -5.092 1.909 1.00 0.00 N ATOM 0 H ASN A 18 4.529 -6.717 -1.214 1.00 0.00 H new ATOM 0 HA ASN A 18 2.072 -7.070 0.263 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.861 -4.641 -0.213 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.541 -4.705 0.938 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.889 -5.427 2.627 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.372 -4.164 1.504 1.00 0.00 H new ATOM 267 N TYR A 19 1.726 -5.950 -2.669 1.00 0.00 N ATOM 268 CA TYR A 19 0.820 -5.388 -3.690 1.00 0.00 C ATOM 269 C TYR A 19 0.070 -6.452 -4.517 1.00 0.00 C ATOM 270 O TYR A 19 -0.633 -6.105 -5.468 1.00 0.00 O ATOM 271 CB TYR A 19 1.594 -4.403 -4.580 1.00 0.00 C ATOM 272 CG TYR A 19 2.411 -3.364 -3.833 1.00 0.00 C ATOM 273 CD1 TYR A 19 1.777 -2.300 -3.165 1.00 0.00 C ATOM 274 CD2 TYR A 19 3.815 -3.472 -3.811 1.00 0.00 C ATOM 275 CE1 TYR A 19 2.545 -1.353 -2.459 1.00 0.00 C ATOM 276 CE2 TYR A 19 4.586 -2.525 -3.111 1.00 0.00 C ATOM 277 CZ TYR A 19 3.953 -1.462 -2.429 1.00 0.00 C ATOM 278 OH TYR A 19 4.711 -0.557 -1.755 1.00 0.00 O ATOM 0 H TYR A 19 2.511 -6.464 -3.069 1.00 0.00 H new ATOM 0 HA TYR A 19 0.032 -4.852 -3.161 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.262 -4.971 -5.228 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.884 -3.888 -5.227 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.701 -2.209 -3.194 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.301 -4.283 -4.332 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.056 -0.542 -1.940 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.662 -2.611 -3.095 1.00 0.00 H new ATOM 0 HH TYR A 19 5.528 -0.991 -1.431 1.00 0.00 H new ATOM 288 N CYS A 20 0.204 -7.742 -4.188 1.00 0.00 N ATOM 289 CA CYS A 20 -0.437 -8.836 -4.932 1.00 0.00 C ATOM 290 C CYS A 20 -1.953 -8.959 -4.672 1.00 0.00 C ATOM 291 O CYS A 20 -2.474 -8.487 -3.654 1.00 0.00 O ATOM 292 CB CYS A 20 0.275 -10.162 -4.653 1.00 0.00 C ATOM 293 SG CYS A 20 2.050 -10.175 -5.031 1.00 0.00 S ATOM 0 H CYS A 20 0.762 -8.059 -3.395 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.337 -8.587 -5.988 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.141 -10.414 -3.601 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.210 -10.947 -5.233 1.00 0.00 H new ATOM 298 N ASN A 21 -2.646 -9.635 -5.600 1.00 0.00 N ATOM 299 CA ASN A 21 -4.076 -9.989 -5.543 1.00 0.00 C ATOM 300 C ASN A 21 -4.386 -11.021 -4.430 1.00 0.00 C ATOM 301 O ASN A 21 -3.843 -12.149 -4.487 1.00 0.00 O ATOM 302 CB ASN A 21 -4.464 -10.505 -6.946 1.00 0.00 C ATOM 303 CG ASN A 21 -5.900 -10.986 -7.087 1.00 0.00 C ATOM 304 OD1 ASN A 21 -6.827 -10.532 -6.427 1.00 0.00 O ATOM 305 ND2 ASN A 21 -6.138 -11.900 -8.002 1.00 0.00 N ATOM 306 OXT ASN A 21 -5.165 -10.696 -3.505 1.00 0.00 O ATOM 0 H ASN A 21 -2.203 -9.968 -6.456 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.672 -9.115 -5.280 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.293 -9.707 -7.669 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.796 -11.324 -7.211 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.091 -12.228 -8.160 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.370 -12.281 -8.554 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 16.704 -9.191 -4.273 1.00 0.00 N ATOM 315 CA PHE B 1 16.190 -8.970 -5.651 1.00 0.00 C ATOM 316 C PHE B 1 17.143 -8.027 -6.409 1.00 0.00 C ATOM 317 O PHE B 1 18.358 -8.096 -6.200 1.00 0.00 O ATOM 318 CB PHE B 1 14.729 -8.475 -5.596 1.00 0.00 C ATOM 319 CG PHE B 1 13.949 -8.520 -6.902 1.00 0.00 C ATOM 320 CD1 PHE B 1 13.960 -9.680 -7.705 1.00 0.00 C ATOM 321 CD2 PHE B 1 13.187 -7.406 -7.306 1.00 0.00 C ATOM 322 CE1 PHE B 1 13.233 -9.714 -8.910 1.00 0.00 C ATOM 323 CE2 PHE B 1 12.465 -7.443 -8.512 1.00 0.00 C ATOM 324 CZ PHE B 1 12.487 -8.595 -9.317 1.00 0.00 C ATOM 0 H1 PHE B 1 16.585 -10.191 -4.014 1.00 0.00 H new ATOM 0 H2 PHE B 1 17.713 -8.941 -4.234 1.00 0.00 H new ATOM 0 H3 PHE B 1 16.174 -8.596 -3.605 1.00 0.00 H new ATOM 0 HA PHE B 1 16.169 -9.905 -6.211 1.00 0.00 H new ATOM 0 HB2 PHE B 1 14.194 -9.072 -4.858 1.00 0.00 H new ATOM 0 HB3 PHE B 1 14.730 -7.447 -5.234 1.00 0.00 H new ATOM 0 HD1 PHE B 1 14.528 -10.544 -7.394 1.00 0.00 H new ATOM 0 HD2 PHE B 1 13.157 -6.521 -6.688 1.00 0.00 H new ATOM 0 HE1 PHE B 1 13.249 -10.603 -9.523 1.00 0.00 H new ATOM 0 HE2 PHE B 1 11.891 -6.582 -8.821 1.00 0.00 H new ATOM 0 HZ PHE B 1 11.933 -8.620 -10.244 1.00 0.00 H new ATOM 336 N VAL B 2 16.639 -7.152 -7.288 1.00 0.00 N ATOM 337 CA VAL B 2 17.445 -6.151 -8.022 1.00 0.00 C ATOM 338 C VAL B 2 18.088 -5.100 -7.103 1.00 0.00 C ATOM 339 O VAL B 2 17.638 -4.862 -5.981 1.00 0.00 O ATOM 340 CB VAL B 2 16.621 -5.448 -9.125 1.00 0.00 C ATOM 341 CG1 VAL B 2 16.086 -6.453 -10.151 1.00 0.00 C ATOM 342 CG2 VAL B 2 15.452 -4.612 -8.596 1.00 0.00 C ATOM 0 H VAL B 2 15.646 -7.114 -7.517 1.00 0.00 H new ATOM 0 HA VAL B 2 18.252 -6.717 -8.488 1.00 0.00 H new ATOM 0 HB VAL B 2 17.324 -4.763 -9.598 1.00 0.00 H new ATOM 0 HG11 VAL B 2 15.511 -5.925 -10.912 1.00 0.00 H new ATOM 0 HG12 VAL B 2 16.921 -6.972 -10.622 1.00 0.00 H new ATOM 0 HG13 VAL B 2 15.444 -7.178 -9.650 1.00 0.00 H new ATOM 0 HG21 VAL B 2 14.925 -4.153 -9.432 1.00 0.00 H new ATOM 0 HG22 VAL B 2 14.766 -5.254 -8.044 1.00 0.00 H new ATOM 0 HG23 VAL B 2 15.832 -3.833 -7.934 1.00 0.00 H new ATOM 352 N ASN B 3 19.119 -4.424 -7.614 1.00 0.00 N ATOM 353 CA ASN B 3 19.754 -3.236 -7.029 1.00 0.00 C ATOM 354 C ASN B 3 19.503 -1.986 -7.910 1.00 0.00 C ATOM 355 O ASN B 3 20.331 -1.079 -7.989 1.00 0.00 O ATOM 356 CB ASN B 3 21.233 -3.536 -6.712 1.00 0.00 C ATOM 357 CG ASN B 3 22.076 -3.922 -7.921 1.00 0.00 C ATOM 358 OD1 ASN B 3 22.692 -3.094 -8.577 1.00 0.00 O ATOM 359 ND2 ASN B 3 22.152 -5.196 -8.243 1.00 0.00 N ATOM 0 H ASN B 3 19.558 -4.703 -8.492 1.00 0.00 H new ATOM 0 HA ASN B 3 19.295 -2.988 -6.072 1.00 0.00 H new ATOM 0 HB2 ASN B 3 21.676 -2.657 -6.243 1.00 0.00 H new ATOM 0 HB3 ASN B 3 21.278 -4.344 -5.982 1.00 0.00 H new ATOM 0 HD21 ASN B 3 22.723 -5.488 -9.036 1.00 0.00 H new ATOM 0 HD22 ASN B 3 21.640 -5.891 -7.699 1.00 0.00 H new ATOM 366 N GLN B 4 18.345 -1.956 -8.583 1.00 0.00 N ATOM 367 CA GLN B 4 17.919 -0.927 -9.541 1.00 0.00 C ATOM 368 C GLN B 4 16.488 -0.436 -9.259 1.00 0.00 C ATOM 369 O GLN B 4 15.692 -1.133 -8.626 1.00 0.00 O ATOM 370 CB GLN B 4 17.984 -1.480 -10.976 1.00 0.00 C ATOM 371 CG GLN B 4 19.363 -2.020 -11.397 1.00 0.00 C ATOM 372 CD GLN B 4 19.438 -3.545 -11.380 1.00 0.00 C ATOM 373 OE1 GLN B 4 19.805 -4.170 -10.398 1.00 0.00 O ATOM 374 NE2 GLN B 4 19.062 -4.208 -12.451 1.00 0.00 N ATOM 0 H GLN B 4 17.643 -2.687 -8.468 1.00 0.00 H new ATOM 0 HA GLN B 4 18.600 -0.083 -9.431 1.00 0.00 H new ATOM 0 HB2 GLN B 4 17.250 -2.280 -11.076 1.00 0.00 H new ATOM 0 HB3 GLN B 4 17.692 -0.691 -11.668 1.00 0.00 H new ATOM 0 HG2 GLN B 4 19.597 -1.662 -12.400 1.00 0.00 H new ATOM 0 HG3 GLN B 4 20.124 -1.617 -10.729 1.00 0.00 H new ATOM 0 HE21 GLN B 4 18.752 -3.703 -13.281 1.00 0.00 H new ATOM 0 HE22 GLN B 4 19.080 -5.228 -12.452 1.00 0.00 H new ATOM 383 N HIS B 5 16.149 0.756 -9.759 1.00 0.00 N ATOM 384 CA HIS B 5 14.770 1.259 -9.780 1.00 0.00 C ATOM 385 C HIS B 5 13.955 0.509 -10.855 1.00 0.00 C ATOM 386 O HIS B 5 14.496 0.110 -11.891 1.00 0.00 O ATOM 387 CB HIS B 5 14.755 2.769 -10.066 1.00 0.00 C ATOM 388 CG HIS B 5 15.262 3.664 -8.951 1.00 0.00 C ATOM 389 ND1 HIS B 5 14.690 4.854 -8.565 1.00 0.00 N ATOM 390 CD2 HIS B 5 16.406 3.521 -8.206 1.00 0.00 C ATOM 391 CE1 HIS B 5 15.471 5.419 -7.631 1.00 0.00 C ATOM 392 NE2 HIS B 5 16.527 4.632 -7.365 1.00 0.00 N ATOM 0 H HIS B 5 16.826 1.403 -10.163 1.00 0.00 H new ATOM 0 HA HIS B 5 14.318 1.086 -8.803 1.00 0.00 H new ATOM 0 HB2 HIS B 5 15.356 2.956 -10.956 1.00 0.00 H new ATOM 0 HB3 HIS B 5 13.733 3.063 -10.304 1.00 0.00 H new ATOM 0 HD1 HIS B 5 13.819 5.242 -8.928 1.00 0.00 H new ATOM 0 HD2 HIS B 5 17.096 2.692 -8.260 1.00 0.00 H new ATOM 0 HE1 HIS B 5 15.278 6.371 -7.160 1.00 0.00 H new ATOM 400 N LEU B 6 12.650 0.343 -10.627 1.00 0.00 N ATOM 401 CA LEU B 6 11.693 -0.282 -11.551 1.00 0.00 C ATOM 402 C LEU B 6 10.449 0.613 -11.654 1.00 0.00 C ATOM 403 O LEU B 6 9.755 0.830 -10.664 1.00 0.00 O ATOM 404 CB LEU B 6 11.315 -1.693 -11.053 1.00 0.00 C ATOM 405 CG LEU B 6 12.476 -2.689 -10.892 1.00 0.00 C ATOM 406 CD1 LEU B 6 11.973 -3.938 -10.173 1.00 0.00 C ATOM 407 CD2 LEU B 6 13.081 -3.131 -12.225 1.00 0.00 C ATOM 0 H LEU B 6 12.211 0.652 -9.760 1.00 0.00 H new ATOM 0 HA LEU B 6 12.144 -0.387 -12.538 1.00 0.00 H new ATOM 0 HB2 LEU B 6 10.813 -1.594 -10.091 1.00 0.00 H new ATOM 0 HB3 LEU B 6 10.591 -2.119 -11.748 1.00 0.00 H new ATOM 0 HG LEU B 6 13.250 -2.172 -10.324 1.00 0.00 H new ATOM 0 HD11 LEU B 6 12.793 -4.646 -10.057 1.00 0.00 H new ATOM 0 HD12 LEU B 6 11.590 -3.663 -9.190 1.00 0.00 H new ATOM 0 HD13 LEU B 6 11.176 -4.398 -10.757 1.00 0.00 H new ATOM 0 HD21 LEU B 6 13.894 -3.833 -12.041 1.00 0.00 H new ATOM 0 HD22 LEU B 6 12.314 -3.615 -12.830 1.00 0.00 H new ATOM 0 HD23 LEU B 6 13.466 -2.261 -12.756 1.00 0.00 H new ATOM 419 N CYS B 7 10.157 1.136 -12.847 1.00 0.00 N ATOM 420 CA CYS B 7 9.015 2.018 -13.096 1.00 0.00 C ATOM 421 C CYS B 7 8.273 1.638 -14.389 1.00 0.00 C ATOM 422 O CYS B 7 8.856 1.048 -15.305 1.00 0.00 O ATOM 423 CB CYS B 7 9.496 3.474 -13.098 1.00 0.00 C ATOM 424 SG CYS B 7 8.182 4.669 -12.737 1.00 0.00 S ATOM 0 H CYS B 7 10.717 0.955 -13.680 1.00 0.00 H new ATOM 0 HA CYS B 7 8.286 1.898 -12.295 1.00 0.00 H new ATOM 0 HB2 CYS B 7 10.291 3.587 -12.361 1.00 0.00 H new ATOM 0 HB3 CYS B 7 9.928 3.704 -14.072 1.00 0.00 H new ATOM 429 N GLY B 8 6.976 1.948 -14.468 1.00 0.00 N ATOM 430 CA GLY B 8 6.140 1.637 -15.637 1.00 0.00 C ATOM 431 C GLY B 8 6.097 0.135 -15.944 1.00 0.00 C ATOM 432 O GLY B 8 5.755 -0.672 -15.075 1.00 0.00 O ATOM 0 H GLY B 8 6.471 2.424 -13.720 1.00 0.00 H new ATOM 0 HA2 GLY B 8 5.127 1.998 -15.462 1.00 0.00 H new ATOM 0 HA3 GLY B 8 6.523 2.172 -16.506 1.00 0.00 H new ATOM 436 N SER B 9 6.485 -0.259 -17.160 1.00 0.00 N ATOM 437 CA SER B 9 6.533 -1.665 -17.594 1.00 0.00 C ATOM 438 C SER B 9 7.468 -2.547 -16.752 1.00 0.00 C ATOM 439 O SER B 9 7.147 -3.710 -16.501 1.00 0.00 O ATOM 440 CB SER B 9 6.950 -1.736 -19.066 1.00 0.00 C ATOM 441 OG SER B 9 8.168 -1.037 -19.283 1.00 0.00 O ATOM 0 H SER B 9 6.780 0.396 -17.884 1.00 0.00 H new ATOM 0 HA SER B 9 5.528 -2.062 -17.454 1.00 0.00 H new ATOM 0 HB2 SER B 9 7.066 -2.778 -19.365 1.00 0.00 H new ATOM 0 HB3 SER B 9 6.165 -1.310 -19.691 1.00 0.00 H new ATOM 0 HG SER B 9 8.416 -1.097 -20.229 1.00 0.00 H new ATOM 447 N HIS B 10 8.579 -2.000 -16.244 1.00 0.00 N ATOM 448 CA HIS B 10 9.532 -2.733 -15.401 1.00 0.00 C ATOM 449 C HIS B 10 8.926 -3.053 -14.026 1.00 0.00 C ATOM 450 O HIS B 10 9.126 -4.143 -13.491 1.00 0.00 O ATOM 451 CB HIS B 10 10.807 -1.901 -15.228 1.00 0.00 C ATOM 452 CG HIS B 10 11.650 -1.782 -16.474 1.00 0.00 C ATOM 453 ND1 HIS B 10 12.783 -2.515 -16.744 1.00 0.00 N ATOM 454 CD2 HIS B 10 11.480 -0.899 -17.509 1.00 0.00 C ATOM 455 CE1 HIS B 10 13.292 -2.086 -17.908 1.00 0.00 C ATOM 456 NE2 HIS B 10 12.529 -1.100 -18.419 1.00 0.00 N ATOM 0 H HIS B 10 8.844 -1.029 -16.408 1.00 0.00 H new ATOM 0 HA HIS B 10 9.771 -3.676 -15.892 1.00 0.00 H new ATOM 0 HB2 HIS B 10 10.531 -0.901 -14.895 1.00 0.00 H new ATOM 0 HB3 HIS B 10 11.411 -2.345 -14.437 1.00 0.00 H new ATOM 0 HD2 HIS B 10 10.682 -0.178 -17.606 1.00 0.00 H new ATOM 0 HE1 HIS B 10 14.187 -2.476 -18.370 1.00 0.00 H new ATOM 0 HE2 HIS B 10 12.683 -0.599 -19.294 1.00 0.00 H new ATOM 464 N LEU B 11 8.150 -2.114 -13.476 1.00 0.00 N ATOM 465 CA LEU B 11 7.465 -2.243 -12.193 1.00 0.00 C ATOM 466 C LEU B 11 6.402 -3.345 -12.249 1.00 0.00 C ATOM 467 O LEU B 11 6.399 -4.228 -11.395 1.00 0.00 O ATOM 468 CB LEU B 11 6.885 -0.861 -11.832 1.00 0.00 C ATOM 469 CG LEU B 11 6.108 -0.765 -10.507 1.00 0.00 C ATOM 470 CD1 LEU B 11 6.178 0.678 -9.998 1.00 0.00 C ATOM 471 CD2 LEU B 11 4.624 -1.114 -10.674 1.00 0.00 C ATOM 0 H LEU B 11 7.978 -1.216 -13.928 1.00 0.00 H new ATOM 0 HA LEU B 11 8.157 -2.549 -11.408 1.00 0.00 H new ATOM 0 HB2 LEU B 11 7.706 -0.145 -11.798 1.00 0.00 H new ATOM 0 HB3 LEU B 11 6.222 -0.548 -12.639 1.00 0.00 H new ATOM 0 HG LEU B 11 6.561 -1.474 -9.814 1.00 0.00 H new ATOM 0 HD11 LEU B 11 5.631 0.759 -9.059 1.00 0.00 H new ATOM 0 HD12 LEU B 11 7.219 0.957 -9.837 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.734 1.346 -10.736 1.00 0.00 H new ATOM 0 HD21 LEU B 11 4.120 -1.031 -9.711 1.00 0.00 H new ATOM 0 HD22 LEU B 11 4.166 -0.425 -11.384 1.00 0.00 H new ATOM 0 HD23 LEU B 11 4.530 -2.134 -11.046 1.00 0.00 H new ATOM 483 N VAL B 12 5.531 -3.336 -13.268 1.00 0.00 N ATOM 484 CA VAL B 12 4.430 -4.310 -13.364 1.00 0.00 C ATOM 485 C VAL B 12 4.911 -5.705 -13.750 1.00 0.00 C ATOM 486 O VAL B 12 4.377 -6.686 -13.240 1.00 0.00 O ATOM 487 CB VAL B 12 3.300 -3.857 -14.300 1.00 0.00 C ATOM 488 CG1 VAL B 12 2.599 -2.615 -13.735 1.00 0.00 C ATOM 489 CG2 VAL B 12 3.734 -3.571 -15.739 1.00 0.00 C ATOM 0 H VAL B 12 5.566 -2.667 -14.037 1.00 0.00 H new ATOM 0 HA VAL B 12 4.017 -4.363 -12.357 1.00 0.00 H new ATOM 0 HB VAL B 12 2.619 -4.707 -14.345 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.801 -2.308 -14.411 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.176 -2.849 -12.758 1.00 0.00 H new ATOM 0 HG13 VAL B 12 3.321 -1.804 -13.634 1.00 0.00 H new ATOM 0 HG21 VAL B 12 2.869 -3.258 -16.324 1.00 0.00 H new ATOM 0 HG22 VAL B 12 4.481 -2.778 -15.743 1.00 0.00 H new ATOM 0 HG23 VAL B 12 4.161 -4.474 -16.177 1.00 0.00 H new ATOM 499 N GLU B 13 5.949 -5.818 -14.582 1.00 0.00 N ATOM 500 CA GLU B 13 6.535 -7.110 -14.955 1.00 0.00 C ATOM 501 C GLU B 13 7.201 -7.789 -13.745 1.00 0.00 C ATOM 502 O GLU B 13 6.957 -8.968 -13.491 1.00 0.00 O ATOM 503 CB GLU B 13 7.526 -6.908 -16.111 1.00 0.00 C ATOM 504 CG GLU B 13 8.097 -8.237 -16.632 1.00 0.00 C ATOM 505 CD GLU B 13 8.981 -8.015 -17.874 1.00 0.00 C ATOM 506 OE1 GLU B 13 10.190 -7.703 -17.728 1.00 0.00 O ATOM 507 OE2 GLU B 13 8.477 -8.165 -19.014 1.00 0.00 O ATOM 0 H GLU B 13 6.408 -5.017 -15.017 1.00 0.00 H new ATOM 0 HA GLU B 13 5.742 -7.778 -15.292 1.00 0.00 H new ATOM 0 HB2 GLU B 13 7.027 -6.385 -16.927 1.00 0.00 H new ATOM 0 HB3 GLU B 13 8.344 -6.270 -15.777 1.00 0.00 H new ATOM 0 HG2 GLU B 13 8.682 -8.717 -15.847 1.00 0.00 H new ATOM 0 HG3 GLU B 13 7.280 -8.914 -16.880 1.00 0.00 H new ATOM 514 N ALA B 14 7.975 -7.038 -12.954 1.00 0.00 N ATOM 515 CA ALA B 14 8.589 -7.538 -11.726 1.00 0.00 C ATOM 516 C ALA B 14 7.549 -7.889 -10.648 1.00 0.00 C ATOM 517 O ALA B 14 7.643 -8.944 -10.020 1.00 0.00 O ATOM 518 CB ALA B 14 9.555 -6.476 -11.214 1.00 0.00 C ATOM 0 H ALA B 14 8.192 -6.061 -13.152 1.00 0.00 H new ATOM 0 HA ALA B 14 9.117 -8.465 -11.950 1.00 0.00 H new ATOM 0 HB1 ALA B 14 10.027 -6.826 -10.296 1.00 0.00 H new ATOM 0 HB2 ALA B 14 10.320 -6.287 -11.967 1.00 0.00 H new ATOM 0 HB3 ALA B 14 9.009 -5.554 -11.013 1.00 0.00 H new ATOM 524 N LEU B 15 6.530 -7.047 -10.460 1.00 0.00 N ATOM 525 CA LEU B 15 5.450 -7.290 -9.516 1.00 0.00 C ATOM 526 C LEU B 15 4.636 -8.537 -9.910 1.00 0.00 C ATOM 527 O LEU B 15 4.415 -9.403 -9.070 1.00 0.00 O ATOM 528 CB LEU B 15 4.637 -5.988 -9.411 1.00 0.00 C ATOM 529 CG LEU B 15 3.368 -6.080 -8.567 1.00 0.00 C ATOM 530 CD1 LEU B 15 3.644 -6.527 -7.137 1.00 0.00 C ATOM 531 CD2 LEU B 15 2.676 -4.715 -8.527 1.00 0.00 C ATOM 0 H LEU B 15 6.436 -6.168 -10.968 1.00 0.00 H new ATOM 0 HA LEU B 15 5.824 -7.532 -8.521 1.00 0.00 H new ATOM 0 HB2 LEU B 15 5.277 -5.212 -8.992 1.00 0.00 H new ATOM 0 HB3 LEU B 15 4.363 -5.667 -10.416 1.00 0.00 H new ATOM 0 HG LEU B 15 2.730 -6.829 -9.036 1.00 0.00 H new ATOM 0 HD11 LEU B 15 2.706 -6.575 -6.583 1.00 0.00 H new ATOM 0 HD12 LEU B 15 4.110 -7.512 -7.147 1.00 0.00 H new ATOM 0 HD13 LEU B 15 4.314 -5.814 -6.656 1.00 0.00 H new ATOM 0 HD21 LEU B 15 1.771 -4.784 -7.924 1.00 0.00 H new ATOM 0 HD22 LEU B 15 3.349 -3.978 -8.088 1.00 0.00 H new ATOM 0 HD23 LEU B 15 2.415 -4.410 -9.540 1.00 0.00 H new ATOM 543 N TYR B 16 4.288 -8.708 -11.186 1.00 0.00 N ATOM 544 CA TYR B 16 3.606 -9.903 -11.707 1.00 0.00 C ATOM 545 C TYR B 16 4.459 -11.175 -11.591 1.00 0.00 C ATOM 546 O TYR B 16 3.934 -12.236 -11.250 1.00 0.00 O ATOM 547 CB TYR B 16 3.223 -9.634 -13.167 1.00 0.00 C ATOM 548 CG TYR B 16 2.383 -10.715 -13.818 1.00 0.00 C ATOM 549 CD1 TYR B 16 0.978 -10.657 -13.722 1.00 0.00 C ATOM 550 CD2 TYR B 16 3.000 -11.766 -14.524 1.00 0.00 C ATOM 551 CE1 TYR B 16 0.188 -11.650 -14.335 1.00 0.00 C ATOM 552 CE2 TYR B 16 2.212 -12.753 -15.148 1.00 0.00 C ATOM 553 CZ TYR B 16 0.803 -12.693 -15.062 1.00 0.00 C ATOM 554 OH TYR B 16 0.033 -13.637 -15.666 1.00 0.00 O ATOM 0 H TYR B 16 4.474 -8.008 -11.904 1.00 0.00 H new ATOM 0 HA TYR B 16 2.717 -10.087 -11.103 1.00 0.00 H new ATOM 0 HB2 TYR B 16 2.677 -8.692 -13.216 1.00 0.00 H new ATOM 0 HB3 TYR B 16 4.136 -9.504 -13.749 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.507 -9.851 -13.179 1.00 0.00 H new ATOM 0 HD2 TYR B 16 4.077 -11.815 -14.587 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -0.888 -11.613 -14.249 1.00 0.00 H new ATOM 0 HE2 TYR B 16 2.685 -13.556 -15.693 1.00 0.00 H new ATOM 0 HH TYR B 16 0.608 -14.283 -16.126 1.00 0.00 H new ATOM 564 N LEU B 17 5.778 -11.074 -11.796 1.00 0.00 N ATOM 565 CA LEU B 17 6.722 -12.175 -11.586 1.00 0.00 C ATOM 566 C LEU B 17 6.813 -12.590 -10.103 1.00 0.00 C ATOM 567 O LEU B 17 6.899 -13.779 -9.804 1.00 0.00 O ATOM 568 CB LEU B 17 8.088 -11.748 -12.156 1.00 0.00 C ATOM 569 CG LEU B 17 9.214 -12.791 -12.034 1.00 0.00 C ATOM 570 CD1 LEU B 17 8.903 -14.079 -12.796 1.00 0.00 C ATOM 571 CD2 LEU B 17 10.513 -12.205 -12.587 1.00 0.00 C ATOM 0 H LEU B 17 6.224 -10.214 -12.116 1.00 0.00 H new ATOM 0 HA LEU B 17 6.369 -13.063 -12.110 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.960 -11.499 -13.209 1.00 0.00 H new ATOM 0 HB3 LEU B 17 8.405 -10.837 -11.649 1.00 0.00 H new ATOM 0 HG LEU B 17 9.310 -13.037 -10.976 1.00 0.00 H new ATOM 0 HD11 LEU B 17 9.729 -14.780 -12.677 1.00 0.00 H new ATOM 0 HD12 LEU B 17 7.989 -14.524 -12.401 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.769 -13.853 -13.854 1.00 0.00 H new ATOM 0 HD21 LEU B 17 11.311 -12.943 -12.501 1.00 0.00 H new ATOM 0 HD22 LEU B 17 10.375 -11.940 -13.635 1.00 0.00 H new ATOM 0 HD23 LEU B 17 10.781 -11.314 -12.020 1.00 0.00 H new ATOM 583 N VAL B 18 6.732 -11.629 -9.172 1.00 0.00 N ATOM 584 CA VAL B 18 6.777 -11.892 -7.723 1.00 0.00 C ATOM 585 C VAL B 18 5.435 -12.401 -7.188 1.00 0.00 C ATOM 586 O VAL B 18 5.412 -13.300 -6.347 1.00 0.00 O ATOM 587 CB VAL B 18 7.289 -10.653 -6.962 1.00 0.00 C ATOM 588 CG1 VAL B 18 7.102 -10.785 -5.446 1.00 0.00 C ATOM 589 CG2 VAL B 18 8.787 -10.471 -7.238 1.00 0.00 C ATOM 0 H VAL B 18 6.633 -10.640 -9.403 1.00 0.00 H new ATOM 0 HA VAL B 18 7.490 -12.698 -7.549 1.00 0.00 H new ATOM 0 HB VAL B 18 6.710 -9.798 -7.311 1.00 0.00 H new ATOM 0 HG11 VAL B 18 7.478 -9.888 -4.954 1.00 0.00 H new ATOM 0 HG12 VAL B 18 6.043 -10.907 -5.219 1.00 0.00 H new ATOM 0 HG13 VAL B 18 7.653 -11.654 -5.086 1.00 0.00 H new ATOM 0 HG21 VAL B 18 9.152 -9.595 -6.701 1.00 0.00 H new ATOM 0 HG22 VAL B 18 9.329 -11.355 -6.902 1.00 0.00 H new ATOM 0 HG23 VAL B 18 8.946 -10.333 -8.308 1.00 0.00 H new ATOM 599 N CYS B 19 4.312 -11.911 -7.723 1.00 0.00 N ATOM 600 CA CYS B 19 2.982 -12.444 -7.428 1.00 0.00 C ATOM 601 C CYS B 19 2.736 -13.799 -8.116 1.00 0.00 C ATOM 602 O CYS B 19 1.837 -14.533 -7.714 1.00 0.00 O ATOM 603 CB CYS B 19 1.931 -11.399 -7.830 1.00 0.00 C ATOM 604 SG CYS B 19 2.095 -9.781 -7.022 1.00 0.00 S ATOM 0 H CYS B 19 4.302 -11.128 -8.377 1.00 0.00 H new ATOM 0 HA CYS B 19 2.906 -12.638 -6.358 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.981 -11.254 -8.909 1.00 0.00 H new ATOM 0 HB3 CYS B 19 0.942 -11.799 -7.608 1.00 0.00 H new ATOM 609 N GLY B 20 3.535 -14.145 -9.129 1.00 0.00 N ATOM 610 CA GLY B 20 3.554 -15.443 -9.803 1.00 0.00 C ATOM 611 C GLY B 20 2.236 -15.792 -10.483 1.00 0.00 C ATOM 612 O GLY B 20 1.608 -16.798 -10.154 1.00 0.00 O ATOM 0 H GLY B 20 4.218 -13.496 -9.519 1.00 0.00 H new ATOM 0 HA2 GLY B 20 4.350 -15.446 -10.548 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.795 -16.218 -9.076 1.00 0.00 H new ATOM 616 N GLU B 21 1.809 -14.942 -11.419 1.00 0.00 N ATOM 617 CA GLU B 21 0.576 -15.087 -12.218 1.00 0.00 C ATOM 618 C GLU B 21 -0.755 -14.992 -11.433 1.00 0.00 C ATOM 619 O GLU B 21 -1.824 -15.177 -12.018 1.00 0.00 O ATOM 620 CB GLU B 21 0.632 -16.329 -13.132 1.00 0.00 C ATOM 621 CG GLU B 21 1.924 -16.468 -13.949 1.00 0.00 C ATOM 622 CD GLU B 21 1.821 -17.645 -14.939 1.00 0.00 C ATOM 623 OE1 GLU B 21 2.172 -18.790 -14.566 1.00 0.00 O ATOM 624 OE2 GLU B 21 1.397 -17.432 -16.103 1.00 0.00 O ATOM 0 H GLU B 21 2.329 -14.097 -11.656 1.00 0.00 H new ATOM 0 HA GLU B 21 0.560 -14.197 -12.847 1.00 0.00 H new ATOM 0 HB2 GLU B 21 0.509 -17.221 -12.518 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -0.214 -16.296 -13.819 1.00 0.00 H new ATOM 0 HG2 GLU B 21 2.116 -15.544 -14.494 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.769 -16.624 -13.278 1.00 0.00 H new ATOM 631 N ARG B 22 -0.723 -14.647 -10.133 1.00 0.00 N ATOM 632 CA ARG B 22 -1.939 -14.372 -9.327 1.00 0.00 C ATOM 633 C ARG B 22 -2.554 -13.004 -9.629 1.00 0.00 C ATOM 634 O ARG B 22 -3.743 -12.787 -9.381 1.00 0.00 O ATOM 635 CB ARG B 22 -1.626 -14.482 -7.825 1.00 0.00 C ATOM 636 CG ARG B 22 -1.646 -15.920 -7.291 1.00 0.00 C ATOM 637 CD ARG B 22 -0.651 -16.872 -7.967 1.00 0.00 C ATOM 638 NE ARG B 22 -0.636 -18.198 -7.327 1.00 0.00 N ATOM 639 CZ ARG B 22 0.136 -19.215 -7.669 1.00 0.00 C ATOM 640 NH1 ARG B 22 0.998 -19.139 -8.645 1.00 0.00 N ATOM 641 NH2 ARG B 22 0.062 -20.346 -7.028 1.00 0.00 N ATOM 0 H ARG B 22 0.145 -14.549 -9.606 1.00 0.00 H new ATOM 0 HA ARG B 22 -2.674 -15.127 -9.607 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.644 -14.048 -7.635 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -2.350 -13.888 -7.268 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -1.437 -15.898 -6.221 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -2.652 -16.323 -7.411 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -0.911 -16.980 -9.020 1.00 0.00 H new ATOM 0 HD3 ARG B 22 0.349 -16.439 -7.928 1.00 0.00 H new ATOM 0 HE ARG B 22 -1.280 -18.345 -6.549 1.00 0.00 H new ATOM 0 HH11 ARG B 22 1.094 -18.272 -9.174 1.00 0.00 H new ATOM 0 HH12 ARG B 22 1.576 -19.946 -8.879 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -0.595 -20.452 -6.255 1.00 0.00 H new ATOM 0 HH22 ARG B 22 0.661 -21.126 -7.299 1.00 0.00 H new ATOM 655 N GLY B 23 -1.742 -12.094 -10.156 1.00 0.00 N ATOM 656 CA GLY B 23 -2.072 -10.689 -10.383 1.00 0.00 C ATOM 657 C GLY B 23 -1.767 -9.794 -9.173 1.00 0.00 C ATOM 658 O GLY B 23 -1.303 -10.251 -8.127 1.00 0.00 O ATOM 0 H GLY B 23 -0.793 -12.325 -10.450 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -1.513 -10.326 -11.246 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.130 -10.606 -10.631 1.00 0.00 H new ATOM 662 N PHE B 24 -2.019 -8.499 -9.341 1.00 0.00 N ATOM 663 CA PHE B 24 -1.666 -7.426 -8.407 1.00 0.00 C ATOM 664 C PHE B 24 -2.649 -6.244 -8.454 1.00 0.00 C ATOM 665 O PHE B 24 -3.465 -6.124 -9.370 1.00 0.00 O ATOM 666 CB PHE B 24 -0.233 -6.962 -8.720 1.00 0.00 C ATOM 667 CG PHE B 24 -0.041 -6.354 -10.101 1.00 0.00 C ATOM 668 CD1 PHE B 24 -0.308 -4.988 -10.309 1.00 0.00 C ATOM 669 CD2 PHE B 24 0.388 -7.153 -11.179 1.00 0.00 C ATOM 670 CE1 PHE B 24 -0.172 -4.429 -11.592 1.00 0.00 C ATOM 671 CE2 PHE B 24 0.527 -6.592 -12.461 1.00 0.00 C ATOM 672 CZ PHE B 24 0.236 -5.234 -12.670 1.00 0.00 C ATOM 0 H PHE B 24 -2.498 -8.149 -10.171 1.00 0.00 H new ATOM 0 HA PHE B 24 -1.726 -7.820 -7.392 1.00 0.00 H new ATOM 0 HB2 PHE B 24 0.067 -6.228 -7.972 1.00 0.00 H new ATOM 0 HB3 PHE B 24 0.439 -7.814 -8.618 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -0.618 -4.368 -9.481 1.00 0.00 H new ATOM 0 HD2 PHE B 24 0.610 -8.198 -11.021 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -0.381 -3.381 -11.749 1.00 0.00 H new ATOM 0 HE2 PHE B 24 0.858 -7.206 -13.286 1.00 0.00 H new ATOM 0 HZ PHE B 24 0.326 -4.808 -13.658 1.00 0.00 H new ATOM 682 N PHE B 25 -2.539 -5.345 -7.474 1.00 0.00 N ATOM 683 CA PHE B 25 -3.203 -4.044 -7.420 1.00 0.00 C ATOM 684 C PHE B 25 -2.211 -2.994 -6.902 1.00 0.00 C ATOM 685 O PHE B 25 -1.954 -2.873 -5.702 1.00 0.00 O ATOM 686 CB PHE B 25 -4.473 -4.123 -6.562 1.00 0.00 C ATOM 687 CG PHE B 25 -5.209 -2.799 -6.467 1.00 0.00 C ATOM 688 CD1 PHE B 25 -5.887 -2.288 -7.595 1.00 0.00 C ATOM 689 CD2 PHE B 25 -5.201 -2.061 -5.268 1.00 0.00 C ATOM 690 CE1 PHE B 25 -6.542 -1.045 -7.525 1.00 0.00 C ATOM 691 CE2 PHE B 25 -5.863 -0.825 -5.196 1.00 0.00 C ATOM 692 CZ PHE B 25 -6.534 -0.314 -6.323 1.00 0.00 C ATOM 0 H PHE B 25 -1.954 -5.515 -6.656 1.00 0.00 H new ATOM 0 HA PHE B 25 -3.520 -3.745 -8.419 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -5.142 -4.875 -6.981 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -4.207 -4.457 -5.559 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -5.903 -2.853 -8.515 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -4.684 -2.447 -4.402 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -7.050 -0.652 -8.393 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -5.857 -0.264 -4.273 1.00 0.00 H new ATOM 0 HZ PHE B 25 -7.042 0.637 -6.265 1.00 0.00 H new ATOM 702 N TYR B 26 -1.641 -2.234 -7.836 1.00 0.00 N ATOM 703 CA TYR B 26 -0.608 -1.217 -7.593 1.00 0.00 C ATOM 704 C TYR B 26 -1.094 0.110 -6.975 1.00 0.00 C ATOM 705 O TYR B 26 -0.259 0.938 -6.614 1.00 0.00 O ATOM 706 CB TYR B 26 0.197 -1.004 -8.891 1.00 0.00 C ATOM 707 CG TYR B 26 -0.509 -0.706 -10.213 1.00 0.00 C ATOM 708 CD1 TYR B 26 -1.896 -0.466 -10.326 1.00 0.00 C ATOM 709 CD2 TYR B 26 0.291 -0.672 -11.372 1.00 0.00 C ATOM 710 CE1 TYR B 26 -2.467 -0.198 -11.585 1.00 0.00 C ATOM 711 CE2 TYR B 26 -0.274 -0.396 -12.631 1.00 0.00 C ATOM 712 CZ TYR B 26 -1.658 -0.153 -12.740 1.00 0.00 C ATOM 713 OH TYR B 26 -2.210 0.162 -13.945 1.00 0.00 O ATOM 0 H TYR B 26 -1.893 -2.309 -8.822 1.00 0.00 H new ATOM 0 HA TYR B 26 0.035 -1.614 -6.807 1.00 0.00 H new ATOM 0 HB2 TYR B 26 0.890 -0.183 -8.706 1.00 0.00 H new ATOM 0 HB3 TYR B 26 0.798 -1.900 -9.045 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -2.520 -0.488 -9.445 1.00 0.00 H new ATOM 0 HD2 TYR B 26 1.352 -0.860 -11.293 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -3.530 -0.026 -11.667 1.00 0.00 H new ATOM 0 HE2 TYR B 26 0.351 -0.370 -13.511 1.00 0.00 H new ATOM 0 HH TYR B 26 -1.515 0.150 -14.636 1.00 0.00 H new ATOM 723 N THR B 27 -2.415 0.303 -6.837 1.00 0.00 N ATOM 724 CA THR B 27 -3.174 1.483 -6.349 1.00 0.00 C ATOM 725 C THR B 27 -2.941 2.832 -7.059 1.00 0.00 C ATOM 726 O THR B 27 -3.910 3.480 -7.464 1.00 0.00 O ATOM 727 CB THR B 27 -3.175 1.574 -4.811 1.00 0.00 C ATOM 728 OG1 THR B 27 -4.149 2.507 -4.395 1.00 0.00 O ATOM 729 CG2 THR B 27 -1.855 1.976 -4.149 1.00 0.00 C ATOM 0 H THR B 27 -3.058 -0.446 -7.092 1.00 0.00 H new ATOM 0 HA THR B 27 -4.193 1.268 -6.671 1.00 0.00 H new ATOM 0 HB THR B 27 -3.380 0.552 -4.491 1.00 0.00 H new ATOM 0 HG1 THR B 27 -4.151 2.564 -3.417 1.00 0.00 H new ATOM 0 HG21 THR B 27 -1.984 2.005 -3.067 1.00 0.00 H new ATOM 0 HG22 THR B 27 -1.084 1.248 -4.403 1.00 0.00 H new ATOM 0 HG23 THR B 27 -1.555 2.962 -4.505 1.00 0.00 H new ATOM 737 N LYS B 28 -1.675 3.193 -7.299 1.00 0.00 N ATOM 738 CA LYS B 28 -1.139 4.411 -7.949 1.00 0.00 C ATOM 739 C LYS B 28 -1.466 5.747 -7.235 1.00 0.00 C ATOM 740 O LYS B 28 -2.491 5.860 -6.556 1.00 0.00 O ATOM 741 CB LYS B 28 -1.515 4.441 -9.446 1.00 0.00 C ATOM 742 CG LYS B 28 -0.937 3.245 -10.222 1.00 0.00 C ATOM 743 CD LYS B 28 -1.256 3.296 -11.722 1.00 0.00 C ATOM 744 CE LYS B 28 -2.769 3.241 -11.990 1.00 0.00 C ATOM 745 NZ LYS B 28 -3.070 3.041 -13.433 1.00 0.00 N ATOM 0 H LYS B 28 -0.913 2.577 -7.015 1.00 0.00 H new ATOM 0 HA LYS B 28 -0.056 4.333 -7.856 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -2.601 4.444 -9.545 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -1.152 5.368 -9.890 1.00 0.00 H new ATOM 0 HG2 LYS B 28 0.144 3.219 -10.086 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -1.334 2.320 -9.803 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -0.845 4.211 -12.149 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -0.768 2.461 -12.225 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -3.211 2.430 -11.411 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -3.232 4.166 -11.647 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -4.088 3.178 -13.598 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -2.532 3.729 -13.998 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -2.801 2.076 -13.713 1.00 0.00 H new ATOM 759 N PRO B 29 -0.619 6.789 -7.389 1.00 0.00 N ATOM 760 CA PRO B 29 -0.895 8.130 -6.853 1.00 0.00 C ATOM 761 C PRO B 29 -1.971 8.900 -7.650 1.00 0.00 C ATOM 762 O PRO B 29 -2.551 9.856 -7.128 1.00 0.00 O ATOM 763 CB PRO B 29 0.453 8.857 -6.904 1.00 0.00 C ATOM 764 CG PRO B 29 1.160 8.220 -8.101 1.00 0.00 C ATOM 765 CD PRO B 29 0.697 6.766 -8.023 1.00 0.00 C ATOM 0 HA PRO B 29 -1.304 8.063 -5.845 1.00 0.00 H new ATOM 0 HB2 PRO B 29 0.324 9.931 -7.039 1.00 0.00 H new ATOM 0 HB3 PRO B 29 1.019 8.717 -5.983 1.00 0.00 H new ATOM 0 HG2 PRO B 29 0.869 8.689 -9.041 1.00 0.00 H new ATOM 0 HG3 PRO B 29 2.244 8.305 -8.025 1.00 0.00 H new ATOM 0 HD2 PRO B 29 0.642 6.321 -9.017 1.00 0.00 H new ATOM 0 HD3 PRO B 29 1.398 6.165 -7.443 1.00 0.00 H new ATOM 773 N THR B 30 -2.243 8.493 -8.900 1.00 0.00 N ATOM 774 CA THR B 30 -3.177 9.129 -9.851 1.00 0.00 C ATOM 775 C THR B 30 -4.080 8.109 -10.544 1.00 0.00 C ATOM 776 O THR B 30 -5.318 8.293 -10.503 1.00 0.00 O ATOM 777 CB THR B 30 -2.441 9.966 -10.907 1.00 0.00 C ATOM 778 OG1 THR B 30 -1.421 9.204 -11.524 1.00 0.00 O ATOM 779 CG2 THR B 30 -1.800 11.221 -10.309 1.00 0.00 C ATOM 780 OXT THR B 30 -3.554 7.134 -11.125 1.00 0.00 O ATOM 0 H THR B 30 -1.795 7.668 -9.298 1.00 0.00 H new ATOM 0 HA THR B 30 -3.802 9.793 -9.254 1.00 0.00 H new ATOM 0 HB THR B 30 -3.192 10.266 -11.638 1.00 0.00 H new ATOM 0 HG1 THR B 30 -1.680 8.259 -11.535 1.00 0.00 H new ATOM 0 HG21 THR B 30 -1.292 11.780 -11.095 1.00 0.00 H new ATOM 0 HG22 THR B 30 -2.573 11.846 -9.861 1.00 0.00 H new ATOM 0 HG23 THR B 30 -1.079 10.932 -9.544 1.00 0.00 H new TER 788 THR B 30