USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 420 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 Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.000118) USER MOD Single : A 1 MET N :NH3+ 170:sc= 1.32 (180deg=1.22) USER MOD Single : A 3 THR OG1 : rot 35:sc= 1.21 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 169:sc= 1.25 (180deg=1.03) USER MOD Single : A 9 ASN : amide:sc= 0.192 K(o=0.19,f=-4.4!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc=0.000478 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0358 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.0234 K(o=-0.023,f=0.88) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot -150:sc= 1.23 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 163:sc= 1.21 (180deg=0.747) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0849 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 41:sc= 0.0564 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.768 0.438 1.821 1.00 0.00 N ATOM 2 CA MET A 1 -16.305 -0.423 0.726 1.00 0.00 C ATOM 3 C MET A 1 -15.636 -1.673 1.277 1.00 0.00 C ATOM 4 O MET A 1 -16.240 -2.743 1.169 1.00 0.00 O ATOM 5 CB MET A 1 -15.424 0.335 -0.270 1.00 0.00 C ATOM 6 CG MET A 1 -14.904 -0.606 -1.366 1.00 0.00 C ATOM 7 SD MET A 1 -13.893 0.180 -2.635 1.00 0.00 S ATOM 8 CE MET A 1 -15.170 1.018 -3.605 1.00 0.00 C ATOM 0 H1 MET A 1 -17.067 1.357 1.437 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.572 -0.014 2.302 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.994 0.582 2.501 1.00 0.00 H new ATOM 0 HA MET A 1 -17.176 -0.747 0.157 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.994 1.147 -0.722 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.583 0.789 0.254 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.319 -1.397 -0.896 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.757 -1.084 -1.848 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.707 1.539 -4.443 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.881 0.283 -3.982 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.692 1.738 -2.975 1.00 0.00 H new ATOM 18 N GLY A 2 -14.418 -1.589 1.827 1.00 0.00 N ATOM 19 CA GLY A 2 -13.731 -2.756 2.354 1.00 0.00 C ATOM 20 C GLY A 2 -12.436 -2.371 3.049 1.00 0.00 C ATOM 21 O GLY A 2 -12.158 -1.181 3.239 1.00 0.00 O ATOM 0 H GLY A 2 -13.894 -0.718 1.915 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.382 -3.277 3.057 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.517 -3.451 1.542 1.00 0.00 H new ATOM 25 N THR A 3 -11.675 -3.384 3.460 1.00 0.00 N ATOM 26 CA THR A 3 -10.387 -3.227 4.120 1.00 0.00 C ATOM 27 C THR A 3 -9.293 -3.376 3.066 1.00 0.00 C ATOM 28 O THR A 3 -9.455 -4.175 2.147 1.00 0.00 O ATOM 29 CB THR A 3 -10.246 -4.218 5.288 1.00 0.00 C ATOM 30 OG1 THR A 3 -9.116 -3.918 6.081 1.00 0.00 O ATOM 31 CG2 THR A 3 -10.135 -5.686 4.856 1.00 0.00 C ATOM 0 H THR A 3 -11.947 -4.360 3.339 1.00 0.00 H new ATOM 0 HA THR A 3 -10.298 -2.237 4.568 1.00 0.00 H new ATOM 0 HB THR A 3 -11.169 -4.099 5.855 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.987 -2.947 6.113 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.039 -6.319 5.738 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.029 -5.971 4.301 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.258 -5.813 4.221 1.00 0.00 H new ATOM 39 N TYR A 4 -8.205 -2.615 3.181 1.00 0.00 N ATOM 40 CA TYR A 4 -7.084 -2.640 2.252 1.00 0.00 C ATOM 41 C TYR A 4 -5.779 -2.780 3.027 1.00 0.00 C ATOM 42 O TYR A 4 -5.548 -1.978 3.941 1.00 0.00 O ATOM 43 CB TYR A 4 -7.105 -1.361 1.400 1.00 0.00 C ATOM 44 CG TYR A 4 -7.996 -1.442 0.170 1.00 0.00 C ATOM 45 CD1 TYR A 4 -7.452 -1.982 -1.009 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.341 -1.009 0.185 1.00 0.00 C ATOM 47 CE1 TYR A 4 -8.244 -2.133 -2.158 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.135 -1.137 -0.973 1.00 0.00 C ATOM 49 CZ TYR A 4 -9.594 -1.728 -2.137 1.00 0.00 C ATOM 50 OH TYR A 4 -10.357 -1.907 -3.244 1.00 0.00 O ATOM 0 H TYR A 4 -8.079 -1.949 3.943 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.166 -3.496 1.583 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.439 -0.530 2.022 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.087 -1.133 1.083 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.415 -2.283 -1.031 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.761 -0.580 1.083 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.820 -2.558 -3.056 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.156 -0.784 -0.970 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.264 -1.579 -3.073 1.00 0.00 H new ATOM 60 N LYS A 5 -4.921 -3.753 2.669 1.00 0.00 N ATOM 61 CA LYS A 5 -3.638 -3.921 3.371 1.00 0.00 C ATOM 62 C LYS A 5 -2.515 -3.323 2.509 1.00 0.00 C ATOM 63 O LYS A 5 -2.435 -3.598 1.317 1.00 0.00 O ATOM 64 CB LYS A 5 -3.419 -5.396 3.756 1.00 0.00 C ATOM 65 CG LYS A 5 -2.319 -5.496 4.819 1.00 0.00 C ATOM 66 CD LYS A 5 -1.955 -6.930 5.216 1.00 0.00 C ATOM 67 CE LYS A 5 -0.917 -6.804 6.338 1.00 0.00 C ATOM 68 NZ LYS A 5 -0.263 -8.077 6.690 1.00 0.00 N ATOM 0 H LYS A 5 -5.088 -4.420 1.916 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.640 -3.376 4.315 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.346 -5.824 4.137 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.140 -5.974 2.875 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.424 -4.996 4.448 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.640 -4.955 5.709 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.834 -7.476 5.557 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.548 -7.479 4.367 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.154 -6.086 6.036 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.403 -6.398 7.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.548 -7.890 7.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.943 -8.692 7.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.068 -8.548 5.824 1.00 0.00 H new ATOM 82 N LEU A 6 -1.669 -2.448 3.059 1.00 0.00 N ATOM 83 CA LEU A 6 -0.570 -1.804 2.327 1.00 0.00 C ATOM 84 C LEU A 6 0.792 -2.101 2.967 1.00 0.00 C ATOM 85 O LEU A 6 1.095 -1.587 4.042 1.00 0.00 O ATOM 86 CB LEU A 6 -0.903 -0.307 2.157 1.00 0.00 C ATOM 87 CG LEU A 6 -0.514 0.231 0.768 1.00 0.00 C ATOM 88 CD1 LEU A 6 -1.285 1.512 0.452 1.00 0.00 C ATOM 89 CD2 LEU A 6 0.985 0.486 0.652 1.00 0.00 C ATOM 0 H LEU A 6 -1.727 -2.162 4.036 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.476 -2.224 1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.971 -0.156 2.315 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.383 0.267 2.924 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.779 -0.538 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.996 1.877 -0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.355 1.305 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.054 2.270 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.214 0.865 -0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.288 1.221 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.526 -0.445 0.819 1.00 0.00 H new ATOM 101 N ILE A 7 1.628 -2.908 2.315 1.00 0.00 N ATOM 102 CA ILE A 7 2.966 -3.340 2.733 1.00 0.00 C ATOM 103 C ILE A 7 4.042 -2.908 1.723 1.00 0.00 C ATOM 104 O ILE A 7 3.874 -3.017 0.506 1.00 0.00 O ATOM 105 CB ILE A 7 2.941 -4.861 3.038 1.00 0.00 C ATOM 106 CG1 ILE A 7 4.352 -5.401 3.338 1.00 0.00 C ATOM 107 CG2 ILE A 7 2.273 -5.706 1.942 1.00 0.00 C ATOM 108 CD1 ILE A 7 4.330 -6.760 4.043 1.00 0.00 C ATOM 0 H ILE A 7 1.371 -3.308 1.413 1.00 0.00 H new ATOM 0 HA ILE A 7 3.250 -2.838 3.658 1.00 0.00 H new ATOM 0 HB ILE A 7 2.321 -4.961 3.929 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.908 -5.490 2.405 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.886 -4.683 3.960 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.295 -6.757 2.229 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.239 -5.386 1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.811 -5.575 1.003 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.352 -7.090 4.229 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.800 -6.669 4.991 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.822 -7.489 3.412 1.00 0.00 H new ATOM 120 N LEU A 8 5.107 -2.301 2.251 1.00 0.00 N ATOM 121 CA LEU A 8 6.269 -1.785 1.542 1.00 0.00 C ATOM 122 C LEU A 8 7.558 -2.468 2.003 1.00 0.00 C ATOM 123 O LEU A 8 7.715 -2.760 3.194 1.00 0.00 O ATOM 124 CB LEU A 8 6.442 -0.270 1.766 1.00 0.00 C ATOM 125 CG LEU A 8 5.371 0.706 1.231 1.00 0.00 C ATOM 126 CD1 LEU A 8 4.984 0.460 -0.233 1.00 0.00 C ATOM 127 CD2 LEU A 8 4.113 0.725 2.098 1.00 0.00 C ATOM 0 H LEU A 8 5.180 -2.149 3.257 1.00 0.00 H new ATOM 0 HA LEU A 8 6.092 -1.991 0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.525 -0.106 2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.396 0.018 1.325 1.00 0.00 H new ATOM 0 HG LEU A 8 5.850 1.684 1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.228 1.184 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.865 0.569 -0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.584 -0.548 -0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.392 1.427 1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.675 -0.273 2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.373 1.034 3.110 1.00 0.00 H new ATOM 139 N ASN A 9 8.458 -2.750 1.063 1.00 0.00 N ATOM 140 CA ASN A 9 9.778 -3.330 1.297 1.00 0.00 C ATOM 141 C ASN A 9 10.688 -2.219 0.796 1.00 0.00 C ATOM 142 O ASN A 9 10.548 -1.844 -0.366 1.00 0.00 O ATOM 143 CB ASN A 9 10.083 -4.594 0.475 1.00 0.00 C ATOM 144 CG ASN A 9 9.367 -5.835 0.967 1.00 0.00 C ATOM 145 OD1 ASN A 9 9.921 -6.615 1.733 1.00 0.00 O ATOM 146 ND2 ASN A 9 8.148 -6.058 0.511 1.00 0.00 N ATOM 0 H ASN A 9 8.279 -2.573 0.075 1.00 0.00 H new ATOM 0 HA ASN A 9 9.887 -3.640 2.336 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.806 -4.415 -0.564 1.00 0.00 H new ATOM 0 HB3 ASN A 9 11.158 -4.776 0.492 1.00 0.00 H new ATOM 0 HD21 ASN A 9 7.643 -6.897 0.795 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.712 -5.391 -0.126 1.00 0.00 H new ATOM 153 N GLY A 10 11.525 -1.640 1.653 1.00 0.00 N ATOM 154 CA GLY A 10 12.458 -0.574 1.304 1.00 0.00 C ATOM 155 C GLY A 10 13.823 -1.186 1.006 1.00 0.00 C ATOM 156 O GLY A 10 13.916 -2.390 0.726 1.00 0.00 O ATOM 0 H GLY A 10 11.574 -1.907 2.636 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.094 -0.025 0.436 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.537 0.141 2.123 1.00 0.00 H new ATOM 160 N LYS A 11 14.904 -0.396 1.044 1.00 0.00 N ATOM 161 CA LYS A 11 16.219 -0.980 0.777 1.00 0.00 C ATOM 162 C LYS A 11 16.557 -1.922 1.931 1.00 0.00 C ATOM 163 O LYS A 11 16.892 -3.079 1.692 1.00 0.00 O ATOM 164 CB LYS A 11 17.270 0.150 0.656 1.00 0.00 C ATOM 165 CG LYS A 11 18.715 -0.362 0.796 1.00 0.00 C ATOM 166 CD LYS A 11 19.774 0.736 0.662 1.00 0.00 C ATOM 167 CE LYS A 11 21.119 0.129 1.073 1.00 0.00 C ATOM 168 NZ LYS A 11 22.264 1.019 0.809 1.00 0.00 N ATOM 0 H LYS A 11 14.897 0.603 1.247 1.00 0.00 H new ATOM 0 HA LYS A 11 16.217 -1.538 -0.159 1.00 0.00 H new ATOM 0 HB2 LYS A 11 17.156 0.644 -0.309 1.00 0.00 H new ATOM 0 HB3 LYS A 11 17.079 0.901 1.423 1.00 0.00 H new ATOM 0 HG2 LYS A 11 18.827 -0.846 1.766 1.00 0.00 H new ATOM 0 HG3 LYS A 11 18.896 -1.123 0.037 1.00 0.00 H new ATOM 0 HD2 LYS A 11 19.817 1.105 -0.363 1.00 0.00 H new ATOM 0 HD3 LYS A 11 19.527 1.587 1.297 1.00 0.00 H new ATOM 0 HE2 LYS A 11 21.092 -0.112 2.136 1.00 0.00 H new ATOM 0 HE3 LYS A 11 21.265 -0.809 0.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 23.143 0.551 1.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 22.313 1.229 -0.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 22.145 1.905 1.340 1.00 0.00 H new ATOM 182 N THR A 12 16.467 -1.442 3.170 1.00 0.00 N ATOM 183 CA THR A 12 16.728 -2.217 4.371 1.00 0.00 C ATOM 184 C THR A 12 15.551 -2.215 5.355 1.00 0.00 C ATOM 185 O THR A 12 15.447 -3.140 6.163 1.00 0.00 O ATOM 186 CB THR A 12 18.096 -1.809 4.944 1.00 0.00 C ATOM 187 OG1 THR A 12 18.551 -2.739 5.907 1.00 0.00 O ATOM 188 CG2 THR A 12 18.153 -0.392 5.519 1.00 0.00 C ATOM 0 H THR A 12 16.203 -0.477 3.366 1.00 0.00 H new ATOM 0 HA THR A 12 16.804 -3.276 4.123 1.00 0.00 H new ATOM 0 HB THR A 12 18.764 -1.813 4.082 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.423 -2.453 6.251 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.155 -0.194 5.899 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.913 0.328 4.737 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.432 -0.300 6.331 1.00 0.00 H new ATOM 196 N LEU A 13 14.678 -1.204 5.307 1.00 0.00 N ATOM 197 CA LEU A 13 13.538 -1.046 6.205 1.00 0.00 C ATOM 198 C LEU A 13 12.229 -1.513 5.576 1.00 0.00 C ATOM 199 O LEU A 13 11.862 -1.075 4.484 1.00 0.00 O ATOM 200 CB LEU A 13 13.457 0.434 6.597 1.00 0.00 C ATOM 201 CG LEU A 13 12.318 0.812 7.560 1.00 0.00 C ATOM 202 CD1 LEU A 13 12.416 0.078 8.901 1.00 0.00 C ATOM 203 CD2 LEU A 13 12.388 2.318 7.823 1.00 0.00 C ATOM 0 H LEU A 13 14.750 -0.453 4.621 1.00 0.00 H new ATOM 0 HA LEU A 13 13.686 -1.673 7.084 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.404 0.721 7.054 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.350 1.026 5.688 1.00 0.00 H new ATOM 0 HG LEU A 13 11.376 0.525 7.093 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.589 0.381 9.543 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.369 -0.998 8.731 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.361 0.328 9.384 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.588 2.606 8.504 1.00 0.00 H new ATOM 0 HD22 LEU A 13 13.351 2.565 8.270 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.275 2.857 6.882 1.00 0.00 H new ATOM 215 N LYS A 14 11.491 -2.345 6.306 1.00 0.00 N ATOM 216 CA LYS A 14 10.206 -2.924 5.917 1.00 0.00 C ATOM 217 C LYS A 14 9.089 -2.359 6.790 1.00 0.00 C ATOM 218 O LYS A 14 9.303 -2.126 7.986 1.00 0.00 O ATOM 219 CB LYS A 14 10.310 -4.451 6.059 1.00 0.00 C ATOM 220 CG LYS A 14 11.246 -5.000 4.975 1.00 0.00 C ATOM 221 CD LYS A 14 11.283 -6.525 4.918 1.00 0.00 C ATOM 222 CE LYS A 14 12.263 -6.897 3.804 1.00 0.00 C ATOM 223 NZ LYS A 14 12.346 -8.345 3.552 1.00 0.00 N ATOM 0 H LYS A 14 11.788 -2.650 7.233 1.00 0.00 H new ATOM 0 HA LYS A 14 9.968 -2.672 4.884 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.689 -4.711 7.048 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.323 -4.904 5.967 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.931 -4.616 4.005 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.254 -4.626 5.153 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.606 -6.941 5.873 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.292 -6.929 4.713 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.964 -6.393 2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.254 -6.524 4.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.027 -8.526 2.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.660 -8.830 4.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.410 -8.703 3.274 1.00 0.00 H new ATOM 237 N GLY A 15 7.894 -2.177 6.220 1.00 0.00 N ATOM 238 CA GLY A 15 6.736 -1.642 6.922 1.00 0.00 C ATOM 239 C GLY A 15 5.427 -2.112 6.299 1.00 0.00 C ATOM 240 O GLY A 15 5.389 -2.439 5.112 1.00 0.00 O ATOM 0 H GLY A 15 7.707 -2.402 5.243 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.771 -1.949 7.967 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.774 -0.553 6.908 1.00 0.00 H new ATOM 244 N GLU A 16 4.342 -2.151 7.077 1.00 0.00 N ATOM 245 CA GLU A 16 3.029 -2.584 6.609 1.00 0.00 C ATOM 246 C GLU A 16 1.899 -1.978 7.432 1.00 0.00 C ATOM 247 O GLU A 16 2.048 -1.728 8.632 1.00 0.00 O ATOM 248 CB GLU A 16 2.927 -4.120 6.603 1.00 0.00 C ATOM 249 CG GLU A 16 2.975 -4.798 7.979 1.00 0.00 C ATOM 250 CD GLU A 16 2.941 -6.318 7.825 1.00 0.00 C ATOM 251 OE1 GLU A 16 3.996 -6.909 7.499 1.00 0.00 O ATOM 252 OE2 GLU A 16 1.855 -6.915 8.025 1.00 0.00 O ATOM 0 H GLU A 16 4.354 -1.879 8.060 1.00 0.00 H new ATOM 0 HA GLU A 16 2.920 -2.222 5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.995 -4.401 6.113 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.740 -4.517 5.995 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.881 -4.500 8.507 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.130 -4.468 8.584 1.00 0.00 H new ATOM 259 N THR A 17 0.741 -1.785 6.803 1.00 0.00 N ATOM 260 CA THR A 17 -0.428 -1.219 7.468 1.00 0.00 C ATOM 261 C THR A 17 -1.711 -1.809 6.870 1.00 0.00 C ATOM 262 O THR A 17 -1.672 -2.546 5.881 1.00 0.00 O ATOM 263 CB THR A 17 -0.331 0.323 7.443 1.00 0.00 C ATOM 264 OG1 THR A 17 -1.334 0.900 8.252 1.00 0.00 O ATOM 265 CG2 THR A 17 -0.430 0.903 6.031 1.00 0.00 C ATOM 0 H THR A 17 0.588 -2.016 5.821 1.00 0.00 H new ATOM 0 HA THR A 17 -0.461 -1.495 8.522 1.00 0.00 H new ATOM 0 HB THR A 17 0.655 0.570 7.836 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.255 1.876 8.225 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.355 1.989 6.078 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.381 0.510 5.418 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.386 0.624 5.589 1.00 0.00 H new ATOM 273 N THR A 18 -2.845 -1.524 7.504 1.00 0.00 N ATOM 274 CA THR A 18 -4.182 -1.957 7.133 1.00 0.00 C ATOM 275 C THR A 18 -5.136 -0.793 7.446 1.00 0.00 C ATOM 276 O THR A 18 -4.788 0.109 8.222 1.00 0.00 O ATOM 277 CB THR A 18 -4.480 -3.281 7.866 1.00 0.00 C ATOM 278 OG1 THR A 18 -5.537 -3.990 7.262 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.779 -3.103 9.357 1.00 0.00 C ATOM 0 H THR A 18 -2.851 -0.947 8.345 1.00 0.00 H new ATOM 0 HA THR A 18 -4.302 -2.180 6.073 1.00 0.00 H new ATOM 0 HB THR A 18 -3.559 -3.858 7.780 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.695 -4.823 7.753 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.979 -4.076 9.807 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.920 -2.646 9.848 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.651 -2.461 9.479 1.00 0.00 H new ATOM 287 N THR A 19 -6.322 -0.769 6.850 1.00 0.00 N ATOM 288 CA THR A 19 -7.318 0.282 7.039 1.00 0.00 C ATOM 289 C THR A 19 -8.645 -0.210 6.463 1.00 0.00 C ATOM 290 O THR A 19 -8.686 -1.235 5.776 1.00 0.00 O ATOM 291 CB THR A 19 -6.834 1.581 6.340 1.00 0.00 C ATOM 292 OG1 THR A 19 -7.742 2.663 6.471 1.00 0.00 O ATOM 293 CG2 THR A 19 -6.561 1.382 4.845 1.00 0.00 C ATOM 0 H THR A 19 -6.627 -1.498 6.205 1.00 0.00 H new ATOM 0 HA THR A 19 -7.457 0.509 8.096 1.00 0.00 H new ATOM 0 HB THR A 19 -5.907 1.825 6.859 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.381 3.450 6.013 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.226 2.323 4.408 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.788 0.625 4.714 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.475 1.057 4.348 1.00 0.00 H new ATOM 301 N GLU A 20 -9.738 0.477 6.779 1.00 0.00 N ATOM 302 CA GLU A 20 -11.081 0.206 6.306 1.00 0.00 C ATOM 303 C GLU A 20 -11.553 1.551 5.760 1.00 0.00 C ATOM 304 O GLU A 20 -11.526 2.551 6.480 1.00 0.00 O ATOM 305 CB GLU A 20 -11.968 -0.359 7.423 1.00 0.00 C ATOM 306 CG GLU A 20 -13.360 -0.685 6.861 1.00 0.00 C ATOM 307 CD GLU A 20 -14.326 -1.285 7.887 1.00 0.00 C ATOM 308 OE1 GLU A 20 -14.287 -0.912 9.080 1.00 0.00 O ATOM 309 OE2 GLU A 20 -15.214 -2.064 7.460 1.00 0.00 O ATOM 0 H GLU A 20 -9.703 1.280 7.406 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.124 -0.566 5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.514 -1.257 7.842 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.053 0.364 8.235 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.799 0.227 6.455 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.250 -1.383 6.031 1.00 0.00 H new ATOM 316 N ALA A 21 -11.941 1.607 4.484 1.00 0.00 N ATOM 317 CA ALA A 21 -12.389 2.841 3.854 1.00 0.00 C ATOM 318 C ALA A 21 -13.818 2.719 3.347 1.00 0.00 C ATOM 319 O ALA A 21 -14.284 1.642 2.951 1.00 0.00 O ATOM 320 CB ALA A 21 -11.405 3.232 2.749 1.00 0.00 C ATOM 0 H ALA A 21 -11.952 0.798 3.863 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.402 3.641 4.595 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.738 4.156 2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.415 3.381 3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.360 2.438 2.004 1.00 0.00 H new ATOM 326 N VAL A 22 -14.528 3.845 3.388 1.00 0.00 N ATOM 327 CA VAL A 22 -15.909 3.934 2.944 1.00 0.00 C ATOM 328 C VAL A 22 -15.979 3.830 1.424 1.00 0.00 C ATOM 329 O VAL A 22 -16.853 3.137 0.908 1.00 0.00 O ATOM 330 CB VAL A 22 -16.577 5.228 3.458 1.00 0.00 C ATOM 331 CG1 VAL A 22 -16.813 5.122 4.967 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.808 6.529 3.174 1.00 0.00 C ATOM 0 H VAL A 22 -14.153 4.728 3.735 1.00 0.00 H new ATOM 0 HA VAL A 22 -16.466 3.098 3.367 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.509 5.301 2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -17.284 6.037 5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -17.464 4.272 5.175 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -15.859 4.981 5.475 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -16.364 7.376 3.576 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.827 6.482 3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.687 6.653 2.098 1.00 0.00 H new ATOM 342 N ASP A 23 -15.023 4.433 0.722 1.00 0.00 N ATOM 343 CA ASP A 23 -14.911 4.488 -0.734 1.00 0.00 C ATOM 344 C ASP A 23 -13.438 4.336 -1.133 1.00 0.00 C ATOM 345 O ASP A 23 -12.552 4.556 -0.299 1.00 0.00 O ATOM 346 CB ASP A 23 -15.434 5.876 -1.137 1.00 0.00 C ATOM 347 CG ASP A 23 -15.572 6.072 -2.641 1.00 0.00 C ATOM 348 OD1 ASP A 23 -14.553 6.169 -3.349 1.00 0.00 O ATOM 349 OD2 ASP A 23 -16.725 6.143 -3.125 1.00 0.00 O ATOM 0 H ASP A 23 -14.259 4.927 1.183 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.474 3.694 -1.225 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.405 6.037 -0.669 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.760 6.636 -0.742 1.00 0.00 H new ATOM 354 N ALA A 24 -13.147 3.932 -2.369 1.00 0.00 N ATOM 355 CA ALA A 24 -11.782 3.767 -2.853 1.00 0.00 C ATOM 356 C ALA A 24 -11.062 5.083 -3.175 1.00 0.00 C ATOM 357 O ALA A 24 -9.839 5.070 -3.200 1.00 0.00 O ATOM 358 CB ALA A 24 -11.731 2.806 -4.036 1.00 0.00 C ATOM 0 H ALA A 24 -13.858 3.709 -3.065 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.229 3.333 -2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.701 2.702 -4.376 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.112 1.832 -3.730 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.344 3.196 -4.849 1.00 0.00 H new ATOM 364 N ALA A 25 -11.741 6.216 -3.380 1.00 0.00 N ATOM 365 CA ALA A 25 -11.078 7.485 -3.705 1.00 0.00 C ATOM 366 C ALA A 25 -9.982 7.841 -2.692 1.00 0.00 C ATOM 367 O ALA A 25 -8.827 8.065 -3.054 1.00 0.00 O ATOM 368 CB ALA A 25 -12.125 8.599 -3.802 1.00 0.00 C ATOM 0 H ALA A 25 -12.758 6.281 -3.326 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.582 7.373 -4.669 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.633 9.541 -4.043 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.845 8.355 -4.584 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.644 8.695 -2.848 1.00 0.00 H new ATOM 374 N THR A 26 -10.317 7.809 -1.402 1.00 0.00 N ATOM 375 CA THR A 26 -9.374 8.109 -0.328 1.00 0.00 C ATOM 376 C THR A 26 -8.219 7.087 -0.310 1.00 0.00 C ATOM 377 O THR A 26 -7.112 7.407 0.137 1.00 0.00 O ATOM 378 CB THR A 26 -10.125 8.151 1.017 1.00 0.00 C ATOM 379 OG1 THR A 26 -11.463 8.587 0.843 1.00 0.00 O ATOM 380 CG2 THR A 26 -9.462 9.095 2.019 1.00 0.00 C ATOM 0 H THR A 26 -11.253 7.573 -1.073 1.00 0.00 H new ATOM 0 HA THR A 26 -8.927 9.088 -0.501 1.00 0.00 H new ATOM 0 HB THR A 26 -10.100 7.132 1.403 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.917 8.603 1.711 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.027 9.091 2.951 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.442 8.763 2.211 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.444 10.105 1.610 1.00 0.00 H new ATOM 388 N ALA A 27 -8.483 5.853 -0.760 1.00 0.00 N ATOM 389 CA ALA A 27 -7.518 4.771 -0.832 1.00 0.00 C ATOM 390 C ALA A 27 -6.560 5.019 -2.007 1.00 0.00 C ATOM 391 O ALA A 27 -5.358 4.789 -1.871 1.00 0.00 O ATOM 392 CB ALA A 27 -8.236 3.418 -0.947 1.00 0.00 C ATOM 0 H ALA A 27 -9.408 5.581 -1.093 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.928 4.741 0.084 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.498 2.618 -1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.872 3.268 -0.074 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.849 3.407 -1.848 1.00 0.00 H new ATOM 398 N GLU A 28 -7.056 5.510 -3.146 1.00 0.00 N ATOM 399 CA GLU A 28 -6.252 5.814 -4.330 1.00 0.00 C ATOM 400 C GLU A 28 -5.266 6.936 -3.972 1.00 0.00 C ATOM 401 O GLU A 28 -4.133 6.977 -4.462 1.00 0.00 O ATOM 402 CB GLU A 28 -7.174 6.204 -5.504 1.00 0.00 C ATOM 403 CG GLU A 28 -6.424 6.183 -6.847 1.00 0.00 C ATOM 404 CD GLU A 28 -7.268 6.675 -8.030 1.00 0.00 C ATOM 405 OE1 GLU A 28 -7.252 6.013 -9.099 1.00 0.00 O ATOM 406 OE2 GLU A 28 -7.878 7.765 -7.952 1.00 0.00 O ATOM 0 H GLU A 28 -8.048 5.711 -3.272 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.683 4.940 -4.647 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.018 5.516 -5.548 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.583 7.200 -5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.532 6.804 -6.765 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.087 5.166 -7.050 1.00 0.00 H new ATOM 413 N LYS A 29 -5.686 7.842 -3.083 1.00 0.00 N ATOM 414 CA LYS A 29 -4.901 8.965 -2.591 1.00 0.00 C ATOM 415 C LYS A 29 -3.812 8.460 -1.645 1.00 0.00 C ATOM 416 O LYS A 29 -2.635 8.792 -1.832 1.00 0.00 O ATOM 417 CB LYS A 29 -5.859 9.947 -1.904 1.00 0.00 C ATOM 418 CG LYS A 29 -5.171 11.251 -1.497 1.00 0.00 C ATOM 419 CD LYS A 29 -6.227 12.258 -1.037 1.00 0.00 C ATOM 420 CE LYS A 29 -5.550 13.575 -0.671 1.00 0.00 C ATOM 421 NZ LYS A 29 -6.433 14.439 0.132 1.00 0.00 N ATOM 0 H LYS A 29 -6.620 7.806 -2.674 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.396 9.482 -3.407 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.687 10.172 -2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.286 9.474 -1.020 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.457 11.064 -0.695 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.608 11.656 -2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.959 12.421 -1.828 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.770 11.865 -0.177 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.636 13.371 -0.114 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.258 14.099 -1.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.938 15.324 0.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.294 14.654 -0.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.691 13.949 1.012 1.00 0.00 H new ATOM 435 N VAL A 30 -4.192 7.649 -0.649 1.00 0.00 N ATOM 436 CA VAL A 30 -3.270 7.083 0.332 1.00 0.00 C ATOM 437 C VAL A 30 -2.222 6.193 -0.335 1.00 0.00 C ATOM 438 O VAL A 30 -1.078 6.180 0.125 1.00 0.00 O ATOM 439 CB VAL A 30 -3.979 6.437 1.547 1.00 0.00 C ATOM 440 CG1 VAL A 30 -4.268 4.938 1.415 1.00 0.00 C ATOM 441 CG2 VAL A 30 -3.127 6.640 2.808 1.00 0.00 C ATOM 0 H VAL A 30 -5.161 7.367 -0.504 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.721 7.916 0.772 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.945 6.939 1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.766 4.583 2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.913 4.766 0.553 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.331 4.397 1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.628 6.185 3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.152 6.173 2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.996 7.707 2.991 1.00 0.00 H new ATOM 451 N PHE A 31 -2.564 5.510 -1.441 1.00 0.00 N ATOM 452 CA PHE A 31 -1.654 4.611 -2.151 1.00 0.00 C ATOM 453 C PHE A 31 -0.381 5.369 -2.507 1.00 0.00 C ATOM 454 O PHE A 31 0.708 4.841 -2.300 1.00 0.00 O ATOM 455 CB PHE A 31 -2.357 4.111 -3.432 1.00 0.00 C ATOM 456 CG PHE A 31 -1.588 3.209 -4.396 1.00 0.00 C ATOM 457 CD1 PHE A 31 -0.465 3.679 -5.114 1.00 0.00 C ATOM 458 CD2 PHE A 31 -2.077 1.917 -4.677 1.00 0.00 C ATOM 459 CE1 PHE A 31 0.173 2.861 -6.064 1.00 0.00 C ATOM 460 CE2 PHE A 31 -1.469 1.119 -5.662 1.00 0.00 C ATOM 461 CZ PHE A 31 -0.343 1.589 -6.357 1.00 0.00 C ATOM 0 H PHE A 31 -3.489 5.571 -1.866 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.392 3.758 -1.525 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.256 3.575 -3.126 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.684 4.988 -3.991 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.093 4.676 -4.931 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.927 1.536 -4.130 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.061 3.212 -6.569 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.869 0.141 -5.885 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.124 0.975 -7.113 1.00 0.00 H new ATOM 471 N LYS A 32 -0.491 6.596 -3.014 1.00 0.00 N ATOM 472 CA LYS A 32 0.693 7.373 -3.340 1.00 0.00 C ATOM 473 C LYS A 32 1.335 7.992 -2.099 1.00 0.00 C ATOM 474 O LYS A 32 2.525 7.817 -1.869 1.00 0.00 O ATOM 475 CB LYS A 32 0.316 8.455 -4.358 1.00 0.00 C ATOM 476 CG LYS A 32 1.544 9.281 -4.763 1.00 0.00 C ATOM 477 CD LYS A 32 1.183 10.212 -5.913 1.00 0.00 C ATOM 478 CE LYS A 32 2.395 11.012 -6.382 1.00 0.00 C ATOM 479 NZ LYS A 32 2.175 11.575 -7.724 1.00 0.00 N ATOM 0 H LYS A 32 -1.377 7.064 -3.204 1.00 0.00 H new ATOM 0 HA LYS A 32 1.437 6.704 -3.772 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.122 7.991 -5.242 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.444 9.111 -3.933 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.900 9.861 -3.912 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.357 8.619 -5.061 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.786 9.629 -6.744 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.394 10.895 -5.597 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.598 11.817 -5.676 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.275 10.369 -6.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.015 12.113 -8.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.005 10.804 -8.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.349 12.206 -7.704 1.00 0.00 H new ATOM 493 N GLN A 33 0.522 8.651 -1.273 1.00 0.00 N ATOM 494 CA GLN A 33 0.976 9.372 -0.092 1.00 0.00 C ATOM 495 C GLN A 33 1.744 8.579 0.963 1.00 0.00 C ATOM 496 O GLN A 33 2.857 8.976 1.284 1.00 0.00 O ATOM 497 CB GLN A 33 -0.293 9.961 0.549 1.00 0.00 C ATOM 498 CG GLN A 33 -0.092 10.736 1.856 1.00 0.00 C ATOM 499 CD GLN A 33 -1.451 11.116 2.432 1.00 0.00 C ATOM 500 OE1 GLN A 33 -2.178 11.912 1.839 1.00 0.00 O ATOM 501 NE2 GLN A 33 -1.878 10.515 3.529 1.00 0.00 N ATOM 0 H GLN A 33 -0.487 8.697 -1.412 1.00 0.00 H new ATOM 0 HA GLN A 33 1.709 10.103 -0.435 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.766 10.625 -0.174 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.992 9.146 0.738 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.461 10.128 2.571 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.501 11.632 1.673 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.272 9.856 4.018 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.813 10.710 3.887 1.00 0.00 H new ATOM 510 N TYR A 34 1.235 7.452 1.458 1.00 0.00 N ATOM 511 CA TYR A 34 1.942 6.714 2.505 1.00 0.00 C ATOM 512 C TYR A 34 3.201 6.046 1.970 1.00 0.00 C ATOM 513 O TYR A 34 4.261 6.138 2.578 1.00 0.00 O ATOM 514 CB TYR A 34 0.968 5.752 3.189 1.00 0.00 C ATOM 515 CG TYR A 34 1.600 4.588 3.924 1.00 0.00 C ATOM 516 CD1 TYR A 34 1.408 3.284 3.440 1.00 0.00 C ATOM 517 CD2 TYR A 34 2.382 4.799 5.075 1.00 0.00 C ATOM 518 CE1 TYR A 34 1.989 2.190 4.102 1.00 0.00 C ATOM 519 CE2 TYR A 34 2.975 3.711 5.740 1.00 0.00 C ATOM 520 CZ TYR A 34 2.779 2.399 5.254 1.00 0.00 C ATOM 521 OH TYR A 34 3.363 1.340 5.881 1.00 0.00 O ATOM 0 H TYR A 34 0.353 7.036 1.159 1.00 0.00 H new ATOM 0 HA TYR A 34 2.302 7.406 3.267 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.363 6.319 3.897 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.288 5.355 2.435 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.811 3.122 2.555 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.527 5.802 5.449 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.832 1.188 3.730 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.579 3.878 6.620 1.00 0.00 H new ATOM 0 HH TYR A 34 3.872 1.658 6.655 1.00 0.00 H new ATOM 531 N ALA A 35 3.107 5.415 0.806 1.00 0.00 N ATOM 532 CA ALA A 35 4.221 4.742 0.172 1.00 0.00 C ATOM 533 C ALA A 35 5.345 5.739 -0.121 1.00 0.00 C ATOM 534 O ALA A 35 6.506 5.476 0.173 1.00 0.00 O ATOM 535 CB ALA A 35 3.683 4.058 -1.077 1.00 0.00 C ATOM 0 H ALA A 35 2.239 5.359 0.272 1.00 0.00 H new ATOM 0 HA ALA A 35 4.661 3.986 0.822 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.495 3.538 -1.585 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.912 3.341 -0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.256 4.805 -1.746 1.00 0.00 H new ATOM 541 N ASN A 36 5.041 6.910 -0.669 1.00 0.00 N ATOM 542 CA ASN A 36 6.084 7.888 -0.947 1.00 0.00 C ATOM 543 C ASN A 36 6.636 8.490 0.344 1.00 0.00 C ATOM 544 O ASN A 36 7.817 8.823 0.389 1.00 0.00 O ATOM 545 CB ASN A 36 5.546 8.890 -1.939 1.00 0.00 C ATOM 546 CG ASN A 36 6.497 10.040 -2.237 1.00 0.00 C ATOM 547 OD1 ASN A 36 6.120 11.209 -2.151 1.00 0.00 O ATOM 548 ND2 ASN A 36 7.708 9.751 -2.668 1.00 0.00 N ATOM 0 H ASN A 36 4.098 7.201 -0.926 1.00 0.00 H new ATOM 0 HA ASN A 36 6.951 7.416 -1.409 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.313 8.374 -2.871 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.609 9.297 -1.557 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.346 10.500 -2.935 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.007 8.778 -2.734 1.00 0.00 H new ATOM 555 N ASP A 37 5.829 8.581 1.406 1.00 0.00 N ATOM 556 CA ASP A 37 6.275 9.085 2.715 1.00 0.00 C ATOM 557 C ASP A 37 7.226 8.045 3.351 1.00 0.00 C ATOM 558 O ASP A 37 8.018 8.356 4.236 1.00 0.00 O ATOM 559 CB ASP A 37 5.063 9.353 3.614 1.00 0.00 C ATOM 560 CG ASP A 37 5.443 10.068 4.906 1.00 0.00 C ATOM 561 OD1 ASP A 37 5.649 11.300 4.865 1.00 0.00 O ATOM 562 OD2 ASP A 37 5.410 9.456 5.999 1.00 0.00 O ATOM 0 H ASP A 37 4.847 8.308 1.385 1.00 0.00 H new ATOM 0 HA ASP A 37 6.811 10.026 2.593 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.336 9.955 3.069 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.577 8.408 3.855 1.00 0.00 H new ATOM 567 N ASN A 38 7.165 6.798 2.862 1.00 0.00 N ATOM 568 CA ASN A 38 7.955 5.618 3.223 1.00 0.00 C ATOM 569 C ASN A 38 9.213 5.579 2.313 1.00 0.00 C ATOM 570 O ASN A 38 10.093 4.745 2.505 1.00 0.00 O ATOM 571 CB ASN A 38 7.021 4.387 3.108 1.00 0.00 C ATOM 572 CG ASN A 38 7.454 3.060 3.719 1.00 0.00 C ATOM 573 OD1 ASN A 38 8.616 2.675 3.766 1.00 0.00 O ATOM 574 ND2 ASN A 38 6.474 2.291 4.166 1.00 0.00 N ATOM 0 H ASN A 38 6.492 6.571 2.130 1.00 0.00 H new ATOM 0 HA ASN A 38 8.330 5.634 4.246 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.066 4.658 3.558 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.837 4.214 2.048 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.684 1.371 4.553 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.509 2.618 4.124 1.00 0.00 H new ATOM 581 N GLY A 39 9.328 6.494 1.334 1.00 0.00 N ATOM 582 CA GLY A 39 10.440 6.658 0.397 1.00 0.00 C ATOM 583 C GLY A 39 10.658 5.488 -0.556 1.00 0.00 C ATOM 584 O GLY A 39 11.807 5.145 -0.842 1.00 0.00 O ATOM 0 H GLY A 39 8.593 7.182 1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.269 7.559 -0.192 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.355 6.818 0.967 1.00 0.00 H new ATOM 588 N VAL A 40 9.589 4.887 -1.075 1.00 0.00 N ATOM 589 CA VAL A 40 9.675 3.731 -1.970 1.00 0.00 C ATOM 590 C VAL A 40 9.710 4.068 -3.459 1.00 0.00 C ATOM 591 O VAL A 40 8.988 4.962 -3.921 1.00 0.00 O ATOM 592 CB VAL A 40 8.494 2.791 -1.683 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.328 2.572 -0.178 1.00 0.00 C ATOM 594 CG2 VAL A 40 7.150 3.303 -2.225 1.00 0.00 C ATOM 0 H VAL A 40 8.633 5.189 -0.886 1.00 0.00 H new ATOM 0 HA VAL A 40 10.633 3.257 -1.759 1.00 0.00 H new ATOM 0 HB VAL A 40 8.742 1.863 -2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.486 1.903 0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.237 2.128 0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.142 3.529 0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.364 2.587 -1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.916 4.265 -1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.215 3.421 -3.307 1.00 0.00 H new ATOM 604 N ASP A 41 10.548 3.370 -4.218 1.00 0.00 N ATOM 605 CA ASP A 41 10.653 3.539 -5.659 1.00 0.00 C ATOM 606 C ASP A 41 10.773 2.161 -6.313 1.00 0.00 C ATOM 607 O ASP A 41 11.811 1.805 -6.861 1.00 0.00 O ATOM 608 CB ASP A 41 11.742 4.541 -6.021 1.00 0.00 C ATOM 609 CG ASP A 41 11.337 5.222 -7.321 1.00 0.00 C ATOM 610 OD1 ASP A 41 11.819 4.834 -8.405 1.00 0.00 O ATOM 611 OD2 ASP A 41 10.503 6.158 -7.261 1.00 0.00 O ATOM 0 H ASP A 41 11.180 2.663 -3.843 1.00 0.00 H new ATOM 0 HA ASP A 41 9.748 3.990 -6.067 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.863 5.277 -5.226 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.701 4.037 -6.137 1.00 0.00 H new ATOM 616 N GLY A 42 9.704 1.367 -6.206 1.00 0.00 N ATOM 617 CA GLY A 42 9.614 0.012 -6.739 1.00 0.00 C ATOM 618 C GLY A 42 8.298 -0.264 -7.469 1.00 0.00 C ATOM 619 O GLY A 42 7.473 0.627 -7.682 1.00 0.00 O ATOM 0 H GLY A 42 8.852 1.663 -5.730 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.444 -0.157 -7.424 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.725 -0.701 -5.922 1.00 0.00 H new ATOM 623 N GLU A 43 8.128 -1.516 -7.868 1.00 0.00 N ATOM 624 CA GLU A 43 6.997 -2.077 -8.595 1.00 0.00 C ATOM 625 C GLU A 43 5.947 -2.587 -7.614 1.00 0.00 C ATOM 626 O GLU A 43 6.287 -3.034 -6.516 1.00 0.00 O ATOM 627 CB GLU A 43 7.442 -3.186 -9.562 1.00 0.00 C ATOM 628 CG GLU A 43 8.089 -4.409 -8.889 1.00 0.00 C ATOM 629 CD GLU A 43 8.072 -5.607 -9.835 1.00 0.00 C ATOM 630 OE1 GLU A 43 7.307 -6.568 -9.570 1.00 0.00 O ATOM 631 OE2 GLU A 43 8.757 -5.570 -10.879 1.00 0.00 O ATOM 0 H GLU A 43 8.836 -2.225 -7.676 1.00 0.00 H new ATOM 0 HA GLU A 43 6.553 -1.287 -9.200 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.576 -3.519 -10.133 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.151 -2.764 -10.275 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.115 -4.176 -8.606 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.553 -4.654 -7.972 1.00 0.00 H new ATOM 638 N TRP A 44 4.676 -2.553 -8.014 1.00 0.00 N ATOM 639 CA TRP A 44 3.548 -2.972 -7.190 1.00 0.00 C ATOM 640 C TRP A 44 2.888 -4.257 -7.686 1.00 0.00 C ATOM 641 O TRP A 44 2.874 -4.523 -8.889 1.00 0.00 O ATOM 642 CB TRP A 44 2.514 -1.837 -7.183 1.00 0.00 C ATOM 643 CG TRP A 44 2.967 -0.576 -6.513 1.00 0.00 C ATOM 644 CD1 TRP A 44 4.034 0.175 -6.868 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.424 0.060 -5.318 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.221 1.180 -5.955 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.205 1.217 -5.026 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.364 -0.238 -4.437 1.00 0.00 C ATOM 649 CZ2 TRP A 44 2.921 2.057 -3.941 1.00 0.00 C ATOM 650 CZ3 TRP A 44 1.063 0.601 -3.350 1.00 0.00 C ATOM 651 CH2 TRP A 44 1.831 1.752 -3.109 1.00 0.00 C ATOM 0 H TRP A 44 4.399 -2.226 -8.940 1.00 0.00 H new ATOM 0 HA TRP A 44 3.924 -3.182 -6.188 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.242 -1.607 -8.213 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.611 -2.191 -6.686 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.647 0.008 -7.741 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.014 1.821 -5.963 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.773 -1.127 -4.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.531 2.927 -3.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.237 0.359 -2.697 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.583 2.403 -2.284 1.00 0.00 H new ATOM 662 N THR A 45 2.306 -5.024 -6.768 1.00 0.00 N ATOM 663 CA THR A 45 1.574 -6.271 -6.984 1.00 0.00 C ATOM 664 C THR A 45 0.328 -6.182 -6.088 1.00 0.00 C ATOM 665 O THR A 45 0.340 -5.426 -5.107 1.00 0.00 O ATOM 666 CB THR A 45 2.442 -7.511 -6.686 1.00 0.00 C ATOM 667 OG1 THR A 45 3.268 -7.348 -5.547 1.00 0.00 O ATOM 668 CG2 THR A 45 3.343 -7.881 -7.863 1.00 0.00 C ATOM 0 H THR A 45 2.335 -4.772 -5.780 1.00 0.00 H new ATOM 0 HA THR A 45 1.288 -6.392 -8.029 1.00 0.00 H new ATOM 0 HB THR A 45 1.723 -8.308 -6.498 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.794 -8.163 -5.405 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.935 -8.760 -7.606 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.729 -8.100 -8.737 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.009 -7.048 -8.087 1.00 0.00 H new ATOM 676 N TYR A 46 -0.757 -6.894 -6.421 1.00 0.00 N ATOM 677 CA TYR A 46 -1.988 -6.852 -5.637 1.00 0.00 C ATOM 678 C TYR A 46 -2.648 -8.224 -5.492 1.00 0.00 C ATOM 679 O TYR A 46 -2.594 -9.054 -6.398 1.00 0.00 O ATOM 680 CB TYR A 46 -2.954 -5.854 -6.288 1.00 0.00 C ATOM 681 CG TYR A 46 -4.294 -5.762 -5.587 1.00 0.00 C ATOM 682 CD1 TYR A 46 -4.370 -5.254 -4.277 1.00 0.00 C ATOM 683 CD2 TYR A 46 -5.459 -6.234 -6.222 1.00 0.00 C ATOM 684 CE1 TYR A 46 -5.609 -5.183 -3.624 1.00 0.00 C ATOM 685 CE2 TYR A 46 -6.701 -6.162 -5.570 1.00 0.00 C ATOM 686 CZ TYR A 46 -6.781 -5.610 -4.275 1.00 0.00 C ATOM 687 OH TYR A 46 -7.973 -5.463 -3.646 1.00 0.00 O ATOM 0 H TYR A 46 -0.802 -7.508 -7.234 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.734 -6.531 -4.627 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.491 -4.867 -6.299 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.116 -6.142 -7.327 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.475 -4.919 -3.775 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.397 -6.653 -7.215 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -5.664 -4.799 -2.616 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.592 -6.528 -6.059 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.585 -6.172 -3.935 1.00 0.00 H new ATOM 697 N ASP A 47 -3.215 -8.487 -4.314 1.00 0.00 N ATOM 698 CA ASP A 47 -3.934 -9.705 -3.961 1.00 0.00 C ATOM 699 C ASP A 47 -5.271 -9.283 -3.362 1.00 0.00 C ATOM 700 O ASP A 47 -5.280 -8.846 -2.207 1.00 0.00 O ATOM 701 CB ASP A 47 -3.140 -10.545 -2.960 1.00 0.00 C ATOM 702 CG ASP A 47 -2.033 -11.364 -3.597 1.00 0.00 C ATOM 703 OD1 ASP A 47 -2.325 -12.191 -4.492 1.00 0.00 O ATOM 704 OD2 ASP A 47 -0.869 -11.218 -3.155 1.00 0.00 O ATOM 0 H ASP A 47 -3.182 -7.820 -3.543 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.083 -10.324 -4.846 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.706 -9.885 -2.209 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.823 -11.216 -2.439 1.00 0.00 H new ATOM 709 N ASP A 48 -6.389 -9.427 -4.078 1.00 0.00 N ATOM 710 CA ASP A 48 -7.725 -9.041 -3.593 1.00 0.00 C ATOM 711 C ASP A 48 -8.201 -9.841 -2.376 1.00 0.00 C ATOM 712 O ASP A 48 -9.136 -9.422 -1.697 1.00 0.00 O ATOM 713 CB ASP A 48 -8.777 -9.129 -4.711 1.00 0.00 C ATOM 714 CG ASP A 48 -10.037 -8.335 -4.352 1.00 0.00 C ATOM 715 OD1 ASP A 48 -11.164 -8.887 -4.329 1.00 0.00 O ATOM 716 OD2 ASP A 48 -9.932 -7.102 -4.155 1.00 0.00 O ATOM 0 H ASP A 48 -6.397 -9.818 -5.020 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.617 -8.005 -3.270 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.356 -8.746 -5.641 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.039 -10.172 -4.885 1.00 0.00 H new ATOM 721 N ALA A 49 -7.491 -10.923 -2.033 1.00 0.00 N ATOM 722 CA ALA A 49 -7.797 -11.805 -0.916 1.00 0.00 C ATOM 723 C ALA A 49 -7.868 -11.008 0.390 1.00 0.00 C ATOM 724 O ALA A 49 -8.854 -11.126 1.118 1.00 0.00 O ATOM 725 CB ALA A 49 -6.739 -12.913 -0.858 1.00 0.00 C ATOM 0 H ALA A 49 -6.660 -11.213 -2.548 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.774 -12.267 -1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.957 -13.581 -0.025 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.753 -13.479 -1.790 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.754 -12.468 -0.718 1.00 0.00 H new ATOM 731 N THR A 50 -6.869 -10.181 0.684 1.00 0.00 N ATOM 732 CA THR A 50 -6.800 -9.326 1.875 1.00 0.00 C ATOM 733 C THR A 50 -6.539 -7.866 1.435 1.00 0.00 C ATOM 734 O THR A 50 -6.343 -6.968 2.251 1.00 0.00 O ATOM 735 CB THR A 50 -5.788 -9.910 2.887 1.00 0.00 C ATOM 736 OG1 THR A 50 -5.963 -11.314 3.001 1.00 0.00 O ATOM 737 CG2 THR A 50 -5.966 -9.346 4.301 1.00 0.00 C ATOM 0 H THR A 50 -6.053 -10.081 0.080 1.00 0.00 H new ATOM 0 HA THR A 50 -7.748 -9.306 2.413 1.00 0.00 H new ATOM 0 HB THR A 50 -4.803 -9.642 2.504 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.316 -11.673 3.643 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.228 -9.793 4.967 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.829 -8.265 4.281 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.968 -9.578 4.662 1.00 0.00 H new ATOM 745 N LYS A 51 -6.620 -7.604 0.122 1.00 0.00 N ATOM 746 CA LYS A 51 -6.424 -6.375 -0.588 1.00 0.00 C ATOM 747 C LYS A 51 -5.030 -5.863 -0.274 1.00 0.00 C ATOM 748 O LYS A 51 -4.842 -4.670 -0.063 1.00 0.00 O ATOM 749 CB LYS A 51 -7.605 -5.435 -0.353 1.00 0.00 C ATOM 750 CG LYS A 51 -8.961 -6.067 -0.700 1.00 0.00 C ATOM 751 CD LYS A 51 -10.022 -4.990 -0.954 1.00 0.00 C ATOM 752 CE LYS A 51 -11.411 -5.619 -1.000 1.00 0.00 C ATOM 753 NZ LYS A 51 -11.756 -6.039 -2.367 1.00 0.00 N ATOM 0 H LYS A 51 -6.854 -8.355 -0.527 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.435 -6.495 -1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.612 -5.126 0.692 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.468 -4.534 -0.951 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.857 -6.696 -1.584 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.283 -6.715 0.115 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.982 -4.237 -0.167 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.815 -4.480 -1.895 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.446 -6.479 -0.332 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.150 -4.904 -0.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.552 -6.707 -2.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.025 -5.206 -2.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.934 -6.501 -2.806 1.00 0.00 H new ATOM 767 N THR A 52 -4.079 -6.798 -0.232 1.00 0.00 N ATOM 768 CA THR A 52 -2.693 -6.548 0.068 1.00 0.00 C ATOM 769 C THR A 52 -1.946 -6.068 -1.164 1.00 0.00 C ATOM 770 O THR A 52 -1.843 -6.794 -2.159 1.00 0.00 O ATOM 771 CB THR A 52 -2.035 -7.806 0.659 1.00 0.00 C ATOM 772 OG1 THR A 52 -2.861 -8.362 1.662 1.00 0.00 O ATOM 773 CG2 THR A 52 -0.678 -7.507 1.295 1.00 0.00 C ATOM 0 H THR A 52 -4.274 -7.782 -0.415 1.00 0.00 H new ATOM 0 HA THR A 52 -2.643 -5.755 0.814 1.00 0.00 H new ATOM 0 HB THR A 52 -1.896 -8.500 -0.170 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.434 -9.163 2.031 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.254 -8.427 1.698 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.005 -7.097 0.542 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.805 -6.783 2.100 1.00 0.00 H new ATOM 781 N PHE A 53 -1.468 -4.833 -1.097 1.00 0.00 N ATOM 782 CA PHE A 53 -0.663 -4.194 -2.116 1.00 0.00 C ATOM 783 C PHE A 53 0.753 -4.414 -1.587 1.00 0.00 C ATOM 784 O PHE A 53 1.005 -4.114 -0.413 1.00 0.00 O ATOM 785 CB PHE A 53 -0.954 -2.695 -2.205 1.00 0.00 C ATOM 786 CG PHE A 53 -2.235 -2.306 -2.913 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.335 -2.444 -4.311 1.00 0.00 C ATOM 788 CD2 PHE A 53 -3.296 -1.733 -2.187 1.00 0.00 C ATOM 789 CE1 PHE A 53 -3.490 -2.002 -4.982 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.439 -1.272 -2.862 1.00 0.00 C ATOM 791 CZ PHE A 53 -4.535 -1.403 -4.257 1.00 0.00 C ATOM 0 H PHE A 53 -1.641 -4.228 -0.295 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.845 -4.591 -3.115 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.985 -2.291 -1.193 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.120 -2.213 -2.715 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.524 -2.890 -4.869 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.232 -1.648 -1.112 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.574 -2.123 -6.052 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.245 -0.816 -2.307 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.413 -1.043 -4.773 1.00 0.00 H new ATOM 801 N THR A 54 1.660 -4.918 -2.421 1.00 0.00 N ATOM 802 CA THR A 54 3.039 -5.191 -2.032 1.00 0.00 C ATOM 803 C THR A 54 3.996 -4.501 -3.001 1.00 0.00 C ATOM 804 O THR A 54 3.737 -4.457 -4.205 1.00 0.00 O ATOM 805 CB THR A 54 3.236 -6.714 -1.952 1.00 0.00 C ATOM 806 OG1 THR A 54 2.298 -7.256 -1.041 1.00 0.00 O ATOM 807 CG2 THR A 54 4.639 -7.110 -1.474 1.00 0.00 C ATOM 0 H THR A 54 1.456 -5.150 -3.393 1.00 0.00 H new ATOM 0 HA THR A 54 3.260 -4.783 -1.046 1.00 0.00 H new ATOM 0 HB THR A 54 3.098 -7.104 -2.960 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.418 -8.227 -0.987 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.718 -8.197 -1.438 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.384 -6.715 -2.165 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.814 -6.700 -0.479 1.00 0.00 H new ATOM 815 N VAL A 55 5.109 -3.976 -2.480 1.00 0.00 N ATOM 816 CA VAL A 55 6.158 -3.273 -3.211 1.00 0.00 C ATOM 817 C VAL A 55 7.497 -3.903 -2.881 1.00 0.00 C ATOM 818 O VAL A 55 7.725 -4.239 -1.717 1.00 0.00 O ATOM 819 CB VAL A 55 6.135 -1.771 -2.878 1.00 0.00 C ATOM 820 CG1 VAL A 55 7.425 -1.000 -3.217 1.00 0.00 C ATOM 821 CG2 VAL A 55 5.005 -1.111 -3.661 1.00 0.00 C ATOM 0 H VAL A 55 5.310 -4.035 -1.482 1.00 0.00 H new ATOM 0 HA VAL A 55 5.987 -3.363 -4.284 1.00 0.00 H new ATOM 0 HB VAL A 55 6.008 -1.722 -1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.305 0.048 -2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.260 -1.426 -2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.624 -1.076 -4.286 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.978 -0.045 -3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.173 -1.250 -4.729 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.055 -1.566 -3.381 1.00 0.00 H new ATOM 831 N THR A 56 8.348 -4.056 -3.895 1.00 0.00 N ATOM 832 CA THR A 56 9.680 -4.618 -3.788 1.00 0.00 C ATOM 833 C THR A 56 10.685 -3.584 -4.319 1.00 0.00 C ATOM 834 O THR A 56 10.781 -3.365 -5.528 1.00 0.00 O ATOM 835 CB THR A 56 9.719 -5.973 -4.527 1.00 0.00 C ATOM 836 OG1 THR A 56 9.143 -5.879 -5.817 1.00 0.00 O ATOM 837 CG2 THR A 56 8.940 -7.044 -3.757 1.00 0.00 C ATOM 0 H THR A 56 8.112 -3.779 -4.848 1.00 0.00 H new ATOM 0 HA THR A 56 9.956 -4.829 -2.755 1.00 0.00 H new ATOM 0 HB THR A 56 10.771 -6.247 -4.606 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.416 -5.037 -6.237 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.984 -7.988 -4.301 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.380 -7.174 -2.768 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.900 -6.734 -3.653 1.00 0.00 H new ATOM 845 N GLU A 57 11.401 -2.913 -3.416 1.00 0.00 N ATOM 846 CA GLU A 57 12.424 -1.911 -3.720 1.00 0.00 C ATOM 847 C GLU A 57 13.695 -2.646 -4.120 1.00 0.00 C ATOM 848 O GLU A 57 14.443 -2.167 -4.997 1.00 0.00 O ATOM 849 CB GLU A 57 12.649 -1.071 -2.451 1.00 0.00 C ATOM 850 CG GLU A 57 13.814 -0.068 -2.457 1.00 0.00 C ATOM 851 CD GLU A 57 13.508 1.270 -3.134 1.00 0.00 C ATOM 852 OE1 GLU A 57 12.508 1.929 -2.768 1.00 0.00 O ATOM 853 OE2 GLU A 57 14.370 1.726 -3.923 1.00 0.00 O ATOM 0 H GLU A 57 11.280 -3.058 -2.414 1.00 0.00 H new ATOM 0 HA GLU A 57 12.125 -1.253 -4.535 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.732 -0.519 -2.247 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.801 -1.756 -1.617 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.115 0.123 -1.427 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.666 -0.526 -2.959 1.00 0.00 H new