USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=15 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 Set 1.1: A 50 THR OG1 : rot 20:sc= 0.701 USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 1.51 (180deg=1.51) USER MOD Single : A 3 THR OG1 : rot 32:sc= 1.2 USER MOD Single : A 4 TYR OH : rot 15:sc=-0.00194 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0.855 K(o=0.85,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -59:sc= 1.18 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -30:sc= 0.0673 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0105 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= -0.24 X(o=-0.24,f=-0.019) 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= -0.171 X(o=-0.17,f=0.1) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot -161:sc= 0.0849 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.371 1.388 1.867 1.00 0.00 N ATOM 2 CA MET A 1 -16.171 0.260 0.925 1.00 0.00 C ATOM 3 C MET A 1 -15.704 -0.951 1.725 1.00 0.00 C ATOM 4 O MET A 1 -16.560 -1.723 2.145 1.00 0.00 O ATOM 5 CB MET A 1 -15.165 0.655 -0.169 1.00 0.00 C ATOM 6 CG MET A 1 -15.007 -0.390 -1.277 1.00 0.00 C ATOM 7 SD MET A 1 -16.561 -0.722 -2.139 1.00 0.00 S ATOM 8 CE MET A 1 -16.451 0.484 -3.490 1.00 0.00 C ATOM 0 H1 MET A 1 -16.723 2.217 1.346 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.064 1.115 2.593 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.467 1.624 2.323 1.00 0.00 H new ATOM 0 HA MET A 1 -17.103 0.008 0.419 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.481 1.598 -0.615 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.193 0.831 0.292 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.263 -0.044 -1.995 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.628 -1.317 -0.847 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.338 0.408 -4.118 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.385 1.490 -3.075 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.564 0.279 -4.089 1.00 0.00 H new ATOM 18 N GLY A 2 -14.397 -1.152 1.909 1.00 0.00 N ATOM 19 CA GLY A 2 -13.840 -2.115 2.863 1.00 0.00 C ATOM 20 C GLY A 2 -12.425 -1.758 3.314 1.00 0.00 C ATOM 21 O GLY A 2 -12.058 -0.586 3.355 1.00 0.00 O ATOM 0 H GLY A 2 -13.683 -0.641 1.390 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.490 -2.171 3.736 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.831 -3.105 2.408 1.00 0.00 H new ATOM 25 N THR A 3 -11.638 -2.783 3.651 1.00 0.00 N ATOM 26 CA THR A 3 -10.282 -2.679 4.209 1.00 0.00 C ATOM 27 C THR A 3 -9.261 -3.207 3.203 1.00 0.00 C ATOM 28 O THR A 3 -9.596 -4.015 2.344 1.00 0.00 O ATOM 29 CB THR A 3 -10.168 -3.435 5.544 1.00 0.00 C ATOM 30 OG1 THR A 3 -8.888 -3.245 6.094 1.00 0.00 O ATOM 31 CG2 THR A 3 -10.399 -4.938 5.392 1.00 0.00 C ATOM 0 H THR A 3 -11.939 -3.751 3.539 1.00 0.00 H new ATOM 0 HA THR A 3 -10.074 -1.627 4.406 1.00 0.00 H new ATOM 0 HB THR A 3 -10.943 -3.031 6.196 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.552 -2.359 5.843 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.306 -5.421 6.365 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.398 -5.114 4.993 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.657 -5.353 4.709 1.00 0.00 H new ATOM 39 N TYR A 4 -8.020 -2.733 3.304 1.00 0.00 N ATOM 40 CA TYR A 4 -6.921 -3.097 2.401 1.00 0.00 C ATOM 41 C TYR A 4 -5.580 -3.212 3.150 1.00 0.00 C ATOM 42 O TYR A 4 -5.222 -2.336 3.930 1.00 0.00 O ATOM 43 CB TYR A 4 -6.842 -2.070 1.258 1.00 0.00 C ATOM 44 CG TYR A 4 -8.194 -1.667 0.698 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.848 -2.486 -0.243 1.00 0.00 C ATOM 46 CD2 TYR A 4 -8.819 -0.494 1.166 1.00 0.00 C ATOM 47 CE1 TYR A 4 -10.123 -2.131 -0.724 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.093 -0.136 0.688 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.750 -0.952 -0.259 1.00 0.00 C ATOM 50 OH TYR A 4 -11.983 -0.603 -0.715 1.00 0.00 O ATOM 0 H TYR A 4 -7.741 -2.072 4.029 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.124 -4.082 1.981 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.329 -1.179 1.619 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.235 -2.483 0.453 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -8.371 -3.388 -0.596 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -8.320 0.131 1.892 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -10.622 -2.759 -1.448 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -10.569 0.765 1.046 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.395 -1.371 -1.163 1.00 0.00 H new ATOM 60 N LYS A 5 -4.834 -4.292 2.898 1.00 0.00 N ATOM 61 CA LYS A 5 -3.510 -4.514 3.511 1.00 0.00 C ATOM 62 C LYS A 5 -2.335 -3.985 2.654 1.00 0.00 C ATOM 63 O LYS A 5 -2.450 -3.935 1.433 1.00 0.00 O ATOM 64 CB LYS A 5 -3.382 -6.008 3.889 1.00 0.00 C ATOM 65 CG LYS A 5 -2.811 -6.201 5.304 1.00 0.00 C ATOM 66 CD LYS A 5 -2.234 -7.611 5.481 1.00 0.00 C ATOM 67 CE LYS A 5 -2.151 -7.944 6.976 1.00 0.00 C ATOM 68 NZ LYS A 5 -1.448 -9.229 7.219 1.00 0.00 N ATOM 0 H LYS A 5 -5.125 -5.038 2.266 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.441 -3.919 4.421 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.361 -6.482 3.826 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.738 -6.510 3.167 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.033 -5.461 5.489 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.595 -6.031 6.042 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.862 -8.340 4.969 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.244 -7.670 5.029 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.631 -7.141 7.498 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.157 -7.996 7.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.413 -9.418 8.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.958 -9.999 6.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.480 -9.171 6.844 1.00 0.00 H new ATOM 82 N LEU A 6 -1.244 -3.566 3.298 1.00 0.00 N ATOM 83 CA LEU A 6 -0.076 -2.956 2.659 1.00 0.00 C ATOM 84 C LEU A 6 1.209 -3.492 3.309 1.00 0.00 C ATOM 85 O LEU A 6 1.209 -3.838 4.485 1.00 0.00 O ATOM 86 CB LEU A 6 -0.200 -1.419 2.775 1.00 0.00 C ATOM 87 CG LEU A 6 -0.761 -0.690 1.534 1.00 0.00 C ATOM 88 CD1 LEU A 6 -1.572 0.560 1.910 1.00 0.00 C ATOM 89 CD2 LEU A 6 0.398 -0.290 0.612 1.00 0.00 C ATOM 0 H LEU A 6 -1.146 -3.644 4.310 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.029 -3.215 1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.840 -1.189 3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.786 -1.010 2.997 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.436 -1.377 1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.945 1.038 1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.413 0.272 2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.934 1.258 2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.005 0.225 -0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.077 0.373 1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.937 -1.183 0.297 1.00 0.00 H new ATOM 101 N ILE A 7 2.298 -3.556 2.546 1.00 0.00 N ATOM 102 CA ILE A 7 3.670 -3.743 3.039 1.00 0.00 C ATOM 103 C ILE A 7 4.664 -3.179 2.012 1.00 0.00 C ATOM 104 O ILE A 7 4.650 -3.612 0.865 1.00 0.00 O ATOM 105 CB ILE A 7 3.916 -5.236 3.390 1.00 0.00 C ATOM 106 CG1 ILE A 7 5.396 -5.491 3.754 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.434 -6.179 2.272 1.00 0.00 C ATOM 108 CD1 ILE A 7 5.655 -6.880 4.349 1.00 0.00 C ATOM 0 H ILE A 7 2.253 -3.477 1.530 1.00 0.00 H new ATOM 0 HA ILE A 7 3.822 -3.188 3.964 1.00 0.00 H new ATOM 0 HB ILE A 7 3.317 -5.462 4.272 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.007 -5.369 2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.721 -4.734 4.467 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.626 -7.213 2.560 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.365 -6.039 2.114 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.970 -5.954 1.350 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.715 -6.985 4.579 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.072 -6.999 5.262 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.362 -7.644 3.629 1.00 0.00 H new ATOM 120 N LEU A 8 5.500 -2.219 2.415 1.00 0.00 N ATOM 121 CA LEU A 8 6.589 -1.663 1.606 1.00 0.00 C ATOM 122 C LEU A 8 7.851 -2.522 1.780 1.00 0.00 C ATOM 123 O LEU A 8 8.106 -3.013 2.874 1.00 0.00 O ATOM 124 CB LEU A 8 6.812 -0.193 2.030 1.00 0.00 C ATOM 125 CG LEU A 8 5.594 0.744 1.889 1.00 0.00 C ATOM 126 CD1 LEU A 8 4.861 0.551 0.552 1.00 0.00 C ATOM 127 CD2 LEU A 8 4.619 0.490 3.046 1.00 0.00 C ATOM 0 H LEU A 8 5.437 -1.794 3.340 1.00 0.00 H new ATOM 0 HA LEU A 8 6.337 -1.677 0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.136 -0.181 3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.630 0.215 1.437 1.00 0.00 H new ATOM 0 HG LEU A 8 5.963 1.769 1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.012 1.233 0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.544 0.760 -0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.506 -0.477 0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.758 1.151 2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.285 -0.547 3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.120 0.685 3.994 1.00 0.00 H new ATOM 139 N ASN A 9 8.624 -2.691 0.707 1.00 0.00 N ATOM 140 CA ASN A 9 9.993 -3.221 0.724 1.00 0.00 C ATOM 141 C ASN A 9 10.956 -2.235 0.021 1.00 0.00 C ATOM 142 O ASN A 9 11.071 -2.276 -1.198 1.00 0.00 O ATOM 143 CB ASN A 9 10.013 -4.623 0.074 1.00 0.00 C ATOM 144 CG ASN A 9 9.155 -5.661 0.792 1.00 0.00 C ATOM 145 OD1 ASN A 9 9.561 -6.307 1.748 1.00 0.00 O ATOM 146 ND2 ASN A 9 7.929 -5.859 0.346 1.00 0.00 N ATOM 0 H ASN A 9 8.305 -2.455 -0.233 1.00 0.00 H new ATOM 0 HA ASN A 9 10.338 -3.327 1.753 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.671 -4.537 -0.958 1.00 0.00 H new ATOM 0 HB3 ASN A 9 11.042 -4.980 0.040 1.00 0.00 H new ATOM 0 HD21 ASN A 9 7.327 -6.547 0.798 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.584 -5.324 -0.451 1.00 0.00 H new ATOM 153 N GLY A 10 11.636 -1.377 0.784 1.00 0.00 N ATOM 154 CA GLY A 10 12.743 -0.547 0.301 1.00 0.00 C ATOM 155 C GLY A 10 14.089 -0.928 0.920 1.00 0.00 C ATOM 156 O GLY A 10 14.182 -1.828 1.746 1.00 0.00 O ATOM 0 H GLY A 10 11.430 -1.236 1.773 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.810 -0.635 -0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.530 0.499 0.523 1.00 0.00 H new ATOM 160 N LYS A 11 15.147 -0.226 0.506 1.00 0.00 N ATOM 161 CA LYS A 11 16.538 -0.638 0.771 1.00 0.00 C ATOM 162 C LYS A 11 16.781 -1.092 2.230 1.00 0.00 C ATOM 163 O LYS A 11 17.315 -2.177 2.444 1.00 0.00 O ATOM 164 CB LYS A 11 17.489 0.488 0.302 1.00 0.00 C ATOM 165 CG LYS A 11 18.967 0.077 0.395 1.00 0.00 C ATOM 166 CD LYS A 11 19.865 1.052 -0.374 1.00 0.00 C ATOM 167 CE LYS A 11 21.332 0.641 -0.202 1.00 0.00 C ATOM 168 NZ LYS A 11 22.262 1.645 -0.777 1.00 0.00 N ATOM 0 H LYS A 11 15.069 0.643 -0.022 1.00 0.00 H new ATOM 0 HA LYS A 11 16.753 -1.536 0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 11 17.252 0.755 -0.728 1.00 0.00 H new ATOM 0 HB3 LYS A 11 17.322 1.378 0.909 1.00 0.00 H new ATOM 0 HG2 LYS A 11 19.273 0.045 1.441 1.00 0.00 H new ATOM 0 HG3 LYS A 11 19.093 -0.929 -0.005 1.00 0.00 H new ATOM 0 HD2 LYS A 11 19.598 1.052 -1.431 1.00 0.00 H new ATOM 0 HD3 LYS A 11 19.715 2.067 -0.007 1.00 0.00 H new ATOM 0 HE2 LYS A 11 21.550 0.510 0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 11 21.497 -0.323 -0.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 23.243 1.328 -0.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 22.072 1.752 -1.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 22.123 2.559 -0.301 1.00 0.00 H new ATOM 182 N THR A 12 16.421 -0.249 3.203 1.00 0.00 N ATOM 183 CA THR A 12 16.517 -0.510 4.647 1.00 0.00 C ATOM 184 C THR A 12 15.275 0.022 5.358 1.00 0.00 C ATOM 185 O THR A 12 15.340 0.401 6.522 1.00 0.00 O ATOM 186 CB THR A 12 17.792 0.113 5.242 1.00 0.00 C ATOM 187 OG1 THR A 12 17.741 0.059 6.646 1.00 0.00 O ATOM 188 CG2 THR A 12 17.981 1.574 4.831 1.00 0.00 C ATOM 0 H THR A 12 16.038 0.674 2.999 1.00 0.00 H new ATOM 0 HA THR A 12 16.575 -1.588 4.797 1.00 0.00 H new ATOM 0 HB THR A 12 18.630 -0.466 4.854 1.00 0.00 H new ATOM 0 HG1 THR A 12 16.955 0.551 6.964 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.896 1.963 5.279 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.052 1.640 3.745 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.130 2.162 5.175 1.00 0.00 H new ATOM 196 N LEU A 13 14.148 0.063 4.644 1.00 0.00 N ATOM 197 CA LEU A 13 12.902 0.699 5.078 1.00 0.00 C ATOM 198 C LEU A 13 11.714 -0.222 4.768 1.00 0.00 C ATOM 199 O LEU A 13 11.305 -0.345 3.619 1.00 0.00 O ATOM 200 CB LEU A 13 12.784 2.073 4.379 1.00 0.00 C ATOM 201 CG LEU A 13 13.849 3.122 4.763 1.00 0.00 C ATOM 202 CD1 LEU A 13 13.877 4.310 3.790 1.00 0.00 C ATOM 203 CD2 LEU A 13 13.574 3.631 6.184 1.00 0.00 C ATOM 0 H LEU A 13 14.075 -0.359 3.718 1.00 0.00 H new ATOM 0 HA LEU A 13 12.902 0.864 6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.830 1.915 3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.800 2.487 4.599 1.00 0.00 H new ATOM 0 HG LEU A 13 14.823 2.635 4.713 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.643 5.019 4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.104 3.952 2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.905 4.802 3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.325 4.372 6.457 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.584 4.087 6.222 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.617 2.797 6.884 1.00 0.00 H new ATOM 215 N LYS A 14 11.156 -0.869 5.797 1.00 0.00 N ATOM 216 CA LYS A 14 10.019 -1.796 5.642 1.00 0.00 C ATOM 217 C LYS A 14 8.836 -1.486 6.593 1.00 0.00 C ATOM 218 O LYS A 14 8.850 -0.462 7.268 1.00 0.00 O ATOM 219 CB LYS A 14 10.540 -3.247 5.752 1.00 0.00 C ATOM 220 CG LYS A 14 11.781 -3.484 4.875 1.00 0.00 C ATOM 221 CD LYS A 14 12.112 -4.978 4.776 1.00 0.00 C ATOM 222 CE LYS A 14 13.413 -5.161 3.983 1.00 0.00 C ATOM 223 NZ LYS A 14 14.191 -6.333 4.454 1.00 0.00 N ATOM 0 H LYS A 14 11.476 -0.768 6.760 1.00 0.00 H new ATOM 0 HA LYS A 14 9.587 -1.658 4.651 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.784 -3.466 6.791 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.751 -3.938 5.457 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.607 -3.080 3.878 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.633 -2.947 5.292 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.218 -5.405 5.773 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.297 -5.511 4.286 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.179 -5.283 2.925 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.022 -4.262 4.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.062 -6.420 3.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.437 -6.206 5.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.620 -7.195 4.344 1.00 0.00 H new ATOM 237 N GLY A 15 7.817 -2.346 6.606 1.00 0.00 N ATOM 238 CA GLY A 15 6.618 -2.186 7.431 1.00 0.00 C ATOM 239 C GLY A 15 5.328 -2.525 6.683 1.00 0.00 C ATOM 240 O GLY A 15 5.181 -2.180 5.518 1.00 0.00 O ATOM 0 H GLY A 15 7.801 -3.189 6.033 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.701 -2.825 8.310 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.564 -1.158 7.789 1.00 0.00 H new ATOM 244 N GLU A 16 4.411 -3.201 7.372 1.00 0.00 N ATOM 245 CA GLU A 16 3.079 -3.574 6.893 1.00 0.00 C ATOM 246 C GLU A 16 2.025 -2.837 7.741 1.00 0.00 C ATOM 247 O GLU A 16 2.374 -2.278 8.777 1.00 0.00 O ATOM 248 CB GLU A 16 2.930 -5.109 6.958 1.00 0.00 C ATOM 249 CG GLU A 16 2.771 -5.656 8.383 1.00 0.00 C ATOM 250 CD GLU A 16 3.065 -7.153 8.446 1.00 0.00 C ATOM 251 OE1 GLU A 16 4.260 -7.495 8.562 1.00 0.00 O ATOM 252 OE2 GLU A 16 2.088 -7.931 8.358 1.00 0.00 O ATOM 0 H GLU A 16 4.584 -3.519 8.326 1.00 0.00 H new ATOM 0 HA GLU A 16 2.933 -3.279 5.854 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.064 -5.406 6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.804 -5.569 6.498 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.444 -5.124 9.055 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.756 -5.469 8.734 1.00 0.00 H new ATOM 259 N THR A 17 0.769 -2.820 7.288 1.00 0.00 N ATOM 260 CA THR A 17 -0.335 -2.023 7.840 1.00 0.00 C ATOM 261 C THR A 17 -1.660 -2.469 7.226 1.00 0.00 C ATOM 262 O THR A 17 -1.668 -3.134 6.193 1.00 0.00 O ATOM 263 CB THR A 17 -0.107 -0.520 7.605 1.00 0.00 C ATOM 264 OG1 THR A 17 -0.829 0.227 8.556 1.00 0.00 O ATOM 265 CG2 THR A 17 -0.544 -0.066 6.210 1.00 0.00 C ATOM 0 H THR A 17 0.478 -3.386 6.491 1.00 0.00 H new ATOM 0 HA THR A 17 -0.372 -2.188 8.917 1.00 0.00 H new ATOM 0 HB THR A 17 0.965 -0.350 7.699 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.679 1.183 8.403 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.360 1.003 6.101 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.023 -0.611 5.456 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.607 -0.266 6.079 1.00 0.00 H new ATOM 273 N THR A 18 -2.772 -2.112 7.875 1.00 0.00 N ATOM 274 CA THR A 18 -4.144 -2.232 7.360 1.00 0.00 C ATOM 275 C THR A 18 -4.804 -0.856 7.310 1.00 0.00 C ATOM 276 O THR A 18 -4.608 -0.045 8.211 1.00 0.00 O ATOM 277 CB THR A 18 -4.978 -3.203 8.214 1.00 0.00 C ATOM 278 OG1 THR A 18 -6.305 -3.229 7.751 1.00 0.00 O ATOM 279 CG2 THR A 18 -5.001 -2.815 9.694 1.00 0.00 C ATOM 0 H THR A 18 -2.742 -1.714 8.814 1.00 0.00 H new ATOM 0 HA THR A 18 -4.096 -2.639 6.350 1.00 0.00 H new ATOM 0 HB THR A 18 -4.507 -4.181 8.120 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.830 -3.850 8.298 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.603 -3.534 10.249 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.984 -2.814 10.086 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.432 -1.820 9.803 1.00 0.00 H new ATOM 287 N THR A 19 -5.571 -0.597 6.246 1.00 0.00 N ATOM 288 CA THR A 19 -6.277 0.666 5.985 1.00 0.00 C ATOM 289 C THR A 19 -7.754 0.388 5.708 1.00 0.00 C ATOM 290 O THR A 19 -8.100 -0.713 5.298 1.00 0.00 O ATOM 291 CB THR A 19 -5.640 1.427 4.808 1.00 0.00 C ATOM 292 OG1 THR A 19 -5.509 0.571 3.699 1.00 0.00 O ATOM 293 CG2 THR A 19 -4.257 1.981 5.145 1.00 0.00 C ATOM 0 H THR A 19 -5.724 -1.288 5.512 1.00 0.00 H new ATOM 0 HA THR A 19 -6.193 1.296 6.871 1.00 0.00 H new ATOM 0 HB THR A 19 -6.302 2.264 4.585 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.377 -0.349 4.010 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.855 2.508 4.279 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.336 2.671 5.985 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.591 1.160 5.411 1.00 0.00 H new ATOM 301 N GLU A 20 -8.605 1.384 5.952 1.00 0.00 N ATOM 302 CA GLU A 20 -10.043 1.369 5.685 1.00 0.00 C ATOM 303 C GLU A 20 -10.418 2.656 4.921 1.00 0.00 C ATOM 304 O GLU A 20 -9.723 3.656 5.052 1.00 0.00 O ATOM 305 CB GLU A 20 -10.804 1.227 7.018 1.00 0.00 C ATOM 306 CG GLU A 20 -10.841 -0.210 7.559 1.00 0.00 C ATOM 307 CD GLU A 20 -11.427 -0.264 8.967 1.00 0.00 C ATOM 308 OE1 GLU A 20 -12.627 -0.600 9.075 1.00 0.00 O ATOM 309 OE2 GLU A 20 -10.662 0.010 9.916 1.00 0.00 O ATOM 0 H GLU A 20 -8.296 2.266 6.361 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.321 0.519 5.061 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.339 1.874 7.762 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.826 1.581 6.882 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.435 -0.835 6.893 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.832 -0.622 7.568 1.00 0.00 H new ATOM 316 N ALA A 21 -11.481 2.607 4.117 1.00 0.00 N ATOM 317 CA ALA A 21 -11.918 3.690 3.233 1.00 0.00 C ATOM 318 C ALA A 21 -13.418 3.556 2.914 1.00 0.00 C ATOM 319 O ALA A 21 -13.942 2.450 2.910 1.00 0.00 O ATOM 320 CB ALA A 21 -11.058 3.674 1.957 1.00 0.00 C ATOM 0 H ALA A 21 -12.082 1.785 4.061 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.783 4.651 3.730 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.377 4.478 1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.011 3.817 2.222 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.177 2.716 1.450 1.00 0.00 H new ATOM 326 N VAL A 22 -14.079 4.681 2.641 1.00 0.00 N ATOM 327 CA VAL A 22 -15.514 4.782 2.329 1.00 0.00 C ATOM 328 C VAL A 22 -15.710 4.627 0.815 1.00 0.00 C ATOM 329 O VAL A 22 -16.696 4.023 0.413 1.00 0.00 O ATOM 330 CB VAL A 22 -16.127 6.104 2.873 1.00 0.00 C ATOM 331 CG1 VAL A 22 -16.294 6.107 4.404 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.316 7.338 2.440 1.00 0.00 C ATOM 0 H VAL A 22 -13.614 5.589 2.629 1.00 0.00 H new ATOM 0 HA VAL A 22 -16.050 3.977 2.832 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.121 6.160 2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -16.726 7.056 4.721 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -16.954 5.291 4.700 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -15.321 5.976 4.876 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.781 8.238 2.842 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.297 7.255 2.819 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.295 7.396 1.352 1.00 0.00 H new ATOM 342 N ASP A 23 -14.800 5.189 0.021 1.00 0.00 N ATOM 343 CA ASP A 23 -14.707 5.053 -1.440 1.00 0.00 C ATOM 344 C ASP A 23 -13.241 4.765 -1.841 1.00 0.00 C ATOM 345 O ASP A 23 -12.331 5.100 -1.091 1.00 0.00 O ATOM 346 CB ASP A 23 -15.265 6.327 -2.114 1.00 0.00 C ATOM 347 CG ASP A 23 -15.538 6.182 -3.619 1.00 0.00 C ATOM 348 OD1 ASP A 23 -14.589 6.411 -4.399 1.00 0.00 O ATOM 349 OD2 ASP A 23 -16.680 5.812 -3.984 1.00 0.00 O ATOM 0 H ASP A 23 -14.064 5.786 0.397 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.309 4.212 -1.783 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.191 6.611 -1.615 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.558 7.143 -1.962 1.00 0.00 H new ATOM 354 N ALA A 24 -13.036 4.140 -3.000 1.00 0.00 N ATOM 355 CA ALA A 24 -11.761 3.567 -3.440 1.00 0.00 C ATOM 356 C ALA A 24 -10.872 4.651 -4.079 1.00 0.00 C ATOM 357 O ALA A 24 -9.671 4.457 -4.217 1.00 0.00 O ATOM 358 CB ALA A 24 -12.037 2.407 -4.407 1.00 0.00 C ATOM 0 H ALA A 24 -13.781 4.013 -3.685 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.216 3.176 -2.581 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.092 1.976 -4.738 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.626 1.643 -3.900 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.589 2.777 -5.271 1.00 0.00 H new ATOM 364 N ALA A 25 -11.471 5.784 -4.449 1.00 0.00 N ATOM 365 CA ALA A 25 -10.782 6.989 -4.915 1.00 0.00 C ATOM 366 C ALA A 25 -9.906 7.581 -3.796 1.00 0.00 C ATOM 367 O ALA A 25 -8.757 7.935 -4.044 1.00 0.00 O ATOM 368 CB ALA A 25 -11.826 8.001 -5.420 1.00 0.00 C ATOM 0 H ALA A 25 -12.485 5.892 -4.432 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.115 6.737 -5.740 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.321 8.902 -5.769 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.392 7.561 -6.241 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.506 8.258 -4.608 1.00 0.00 H new ATOM 374 N THR A 26 -10.452 7.665 -2.579 1.00 0.00 N ATOM 375 CA THR A 26 -9.727 7.949 -1.330 1.00 0.00 C ATOM 376 C THR A 26 -8.491 7.057 -1.231 1.00 0.00 C ATOM 377 O THR A 26 -7.374 7.554 -1.168 1.00 0.00 O ATOM 378 CB THR A 26 -10.635 7.755 -0.104 1.00 0.00 C ATOM 379 OG1 THR A 26 -11.878 8.379 -0.325 1.00 0.00 O ATOM 380 CG2 THR A 26 -10.034 8.340 1.174 1.00 0.00 C ATOM 0 H THR A 26 -11.452 7.532 -2.428 1.00 0.00 H new ATOM 0 HA THR A 26 -9.411 8.992 -1.345 1.00 0.00 H new ATOM 0 HB THR A 26 -10.749 6.679 0.029 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.452 8.250 0.459 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.718 8.174 2.007 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.082 7.853 1.384 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.874 9.410 1.044 1.00 0.00 H new ATOM 388 N ALA A 27 -8.705 5.741 -1.203 1.00 0.00 N ATOM 389 CA ALA A 27 -7.676 4.725 -0.971 1.00 0.00 C ATOM 390 C ALA A 27 -6.543 4.853 -2.006 1.00 0.00 C ATOM 391 O ALA A 27 -5.378 4.844 -1.628 1.00 0.00 O ATOM 392 CB ALA A 27 -8.328 3.332 -1.004 1.00 0.00 C ATOM 0 H ALA A 27 -9.631 5.339 -1.346 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.226 4.873 0.011 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.568 2.570 -0.832 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.089 3.268 -0.226 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.790 3.170 -1.978 1.00 0.00 H new ATOM 398 N GLU A 28 -6.903 4.981 -3.281 1.00 0.00 N ATOM 399 CA GLU A 28 -5.996 5.157 -4.416 1.00 0.00 C ATOM 400 C GLU A 28 -5.031 6.316 -4.103 1.00 0.00 C ATOM 401 O GLU A 28 -3.843 6.223 -4.389 1.00 0.00 O ATOM 402 CB GLU A 28 -6.825 5.401 -5.695 1.00 0.00 C ATOM 403 CG GLU A 28 -5.973 5.659 -6.945 1.00 0.00 C ATOM 404 CD GLU A 28 -6.653 5.132 -8.206 1.00 0.00 C ATOM 405 OE1 GLU A 28 -6.158 4.113 -8.736 1.00 0.00 O ATOM 406 OE2 GLU A 28 -7.642 5.767 -8.632 1.00 0.00 O ATOM 0 H GLU A 28 -7.882 4.964 -3.566 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.396 4.263 -4.586 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.463 4.536 -5.874 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.483 6.254 -5.533 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.792 6.729 -7.048 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.000 5.181 -6.828 1.00 0.00 H new ATOM 413 N LYS A 29 -5.548 7.414 -3.545 1.00 0.00 N ATOM 414 CA LYS A 29 -4.747 8.619 -3.249 1.00 0.00 C ATOM 415 C LYS A 29 -3.858 8.475 -1.991 1.00 0.00 C ATOM 416 O LYS A 29 -2.822 9.121 -1.911 1.00 0.00 O ATOM 417 CB LYS A 29 -5.690 9.845 -3.210 1.00 0.00 C ATOM 418 CG LYS A 29 -6.340 10.119 -4.576 1.00 0.00 C ATOM 419 CD LYS A 29 -7.426 11.196 -4.466 1.00 0.00 C ATOM 420 CE LYS A 29 -8.330 11.138 -5.704 1.00 0.00 C ATOM 421 NZ LYS A 29 -9.462 12.093 -5.610 1.00 0.00 N ATOM 0 H LYS A 29 -6.530 7.499 -3.284 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.022 8.765 -4.050 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.469 9.679 -2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.128 10.724 -2.894 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.578 10.438 -5.287 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.775 9.199 -4.966 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.017 11.041 -3.563 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.969 12.182 -4.382 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.741 11.360 -6.594 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.718 10.126 -5.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.048 12.022 -6.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.039 11.866 -4.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.093 13.061 -5.523 1.00 0.00 H new ATOM 435 N VAL A 30 -4.289 7.663 -1.025 1.00 0.00 N ATOM 436 CA VAL A 30 -3.537 7.280 0.180 1.00 0.00 C ATOM 437 C VAL A 30 -2.246 6.565 -0.243 1.00 0.00 C ATOM 438 O VAL A 30 -1.201 6.798 0.352 1.00 0.00 O ATOM 439 CB VAL A 30 -4.400 6.423 1.147 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.669 5.167 1.658 1.00 0.00 C ATOM 441 CG2 VAL A 30 -4.914 7.244 2.344 1.00 0.00 C ATOM 0 H VAL A 30 -5.213 7.233 -1.059 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.270 8.177 0.739 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.252 6.093 0.552 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.325 4.612 2.328 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.396 4.536 0.812 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.768 5.464 2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.512 6.605 2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.067 7.640 2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.527 8.070 1.983 1.00 0.00 H new ATOM 451 N PHE A 31 -2.335 5.682 -1.240 1.00 0.00 N ATOM 452 CA PHE A 31 -1.234 4.832 -1.700 1.00 0.00 C ATOM 453 C PHE A 31 0.026 5.669 -1.986 1.00 0.00 C ATOM 454 O PHE A 31 1.139 5.236 -1.709 1.00 0.00 O ATOM 455 CB PHE A 31 -1.686 4.031 -2.937 1.00 0.00 C ATOM 456 CG PHE A 31 -2.827 3.069 -2.668 1.00 0.00 C ATOM 457 CD1 PHE A 31 -3.036 2.552 -1.375 1.00 0.00 C ATOM 458 CD2 PHE A 31 -3.706 2.718 -3.712 1.00 0.00 C ATOM 459 CE1 PHE A 31 -4.122 1.693 -1.128 1.00 0.00 C ATOM 460 CE2 PHE A 31 -4.790 1.858 -3.462 1.00 0.00 C ATOM 461 CZ PHE A 31 -4.998 1.346 -2.171 1.00 0.00 C ATOM 0 H PHE A 31 -3.198 5.534 -1.764 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.970 4.126 -0.912 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.989 4.729 -3.717 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.835 3.470 -3.324 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.362 2.815 -0.573 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.547 3.110 -4.706 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.283 1.299 -0.135 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.463 1.591 -4.263 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.831 0.686 -1.980 1.00 0.00 H new ATOM 471 N LYS A 32 -0.155 6.875 -2.535 1.00 0.00 N ATOM 472 CA LYS A 32 0.961 7.742 -2.959 1.00 0.00 C ATOM 473 C LYS A 32 1.537 8.608 -1.812 1.00 0.00 C ATOM 474 O LYS A 32 2.648 9.112 -1.921 1.00 0.00 O ATOM 475 CB LYS A 32 0.516 8.557 -4.194 1.00 0.00 C ATOM 476 CG LYS A 32 1.713 9.110 -4.986 1.00 0.00 C ATOM 477 CD LYS A 32 1.256 9.777 -6.288 1.00 0.00 C ATOM 478 CE LYS A 32 2.350 9.622 -7.352 1.00 0.00 C ATOM 479 NZ LYS A 32 1.927 10.168 -8.665 1.00 0.00 N ATOM 0 H LYS A 32 -1.076 7.281 -2.700 1.00 0.00 H new ATOM 0 HA LYS A 32 1.805 7.115 -3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.088 7.926 -4.845 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.118 9.383 -3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.254 9.832 -4.375 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.407 8.301 -5.213 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.328 9.323 -6.636 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.049 10.833 -6.115 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.254 10.133 -7.020 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.603 8.567 -7.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.694 10.044 -9.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.079 9.663 -8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.710 11.180 -8.566 1.00 0.00 H new ATOM 493 N GLN A 33 0.765 8.804 -0.746 1.00 0.00 N ATOM 494 CA GLN A 33 1.175 9.550 0.442 1.00 0.00 C ATOM 495 C GLN A 33 1.798 8.575 1.450 1.00 0.00 C ATOM 496 O GLN A 33 2.967 8.719 1.785 1.00 0.00 O ATOM 497 CB GLN A 33 -0.055 10.274 1.022 1.00 0.00 C ATOM 498 CG GLN A 33 0.199 10.936 2.388 1.00 0.00 C ATOM 499 CD GLN A 33 -1.045 10.991 3.276 1.00 0.00 C ATOM 500 OE1 GLN A 33 -1.425 12.006 3.830 1.00 0.00 O ATOM 501 NE2 GLN A 33 -1.743 9.889 3.454 1.00 0.00 N ATOM 0 H GLN A 33 -0.186 8.440 -0.682 1.00 0.00 H new ATOM 0 HA GLN A 33 1.924 10.303 0.196 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.383 11.036 0.315 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.872 9.559 1.122 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.984 10.388 2.909 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.569 11.949 2.230 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.451 9.022 3.003 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.576 9.902 4.042 1.00 0.00 H new ATOM 510 N TYR A 34 1.028 7.594 1.921 1.00 0.00 N ATOM 511 CA TYR A 34 1.438 6.656 2.973 1.00 0.00 C ATOM 512 C TYR A 34 2.855 6.102 2.726 1.00 0.00 C ATOM 513 O TYR A 34 3.695 6.154 3.618 1.00 0.00 O ATOM 514 CB TYR A 34 0.400 5.524 3.079 1.00 0.00 C ATOM 515 CG TYR A 34 0.922 4.274 3.763 1.00 0.00 C ATOM 516 CD1 TYR A 34 1.098 3.084 3.032 1.00 0.00 C ATOM 517 CD2 TYR A 34 1.279 4.323 5.123 1.00 0.00 C ATOM 518 CE1 TYR A 34 1.625 1.938 3.658 1.00 0.00 C ATOM 519 CE2 TYR A 34 1.809 3.182 5.755 1.00 0.00 C ATOM 520 CZ TYR A 34 1.983 1.985 5.025 1.00 0.00 C ATOM 521 OH TYR A 34 2.496 0.886 5.639 1.00 0.00 O ATOM 0 H TYR A 34 0.083 7.424 1.577 1.00 0.00 H new ATOM 0 HA TYR A 34 1.478 7.191 3.922 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.468 5.890 3.627 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.058 5.263 2.078 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.828 3.050 1.987 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.146 5.237 5.683 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.755 1.025 3.095 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.083 3.222 6.799 1.00 0.00 H new ATOM 0 HH TYR A 34 2.687 1.095 6.577 1.00 0.00 H new ATOM 531 N ALA A 35 3.104 5.592 1.520 1.00 0.00 N ATOM 532 CA ALA A 35 4.278 4.790 1.170 1.00 0.00 C ATOM 533 C ALA A 35 5.517 5.689 0.995 1.00 0.00 C ATOM 534 O ALA A 35 6.595 5.344 1.466 1.00 0.00 O ATOM 535 CB ALA A 35 3.974 3.981 -0.101 1.00 0.00 C ATOM 0 H ALA A 35 2.472 5.730 0.731 1.00 0.00 H new ATOM 0 HA ALA A 35 4.503 4.094 1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.844 3.381 -0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.123 3.325 0.080 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.739 4.663 -0.919 1.00 0.00 H new ATOM 541 N ASN A 36 5.345 6.834 0.334 1.00 0.00 N ATOM 542 CA ASN A 36 6.360 7.882 0.172 1.00 0.00 C ATOM 543 C ASN A 36 7.045 8.177 1.528 1.00 0.00 C ATOM 544 O ASN A 36 8.239 8.443 1.521 1.00 0.00 O ATOM 545 CB ASN A 36 5.708 9.141 -0.441 1.00 0.00 C ATOM 546 CG ASN A 36 6.668 10.312 -0.639 1.00 0.00 C ATOM 547 OD1 ASN A 36 6.833 11.181 0.206 1.00 0.00 O ATOM 548 ND2 ASN A 36 7.332 10.376 -1.778 1.00 0.00 N ATOM 0 H ASN A 36 4.463 7.068 -0.121 1.00 0.00 H new ATOM 0 HA ASN A 36 7.138 7.544 -0.512 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.271 8.877 -1.404 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.889 9.462 0.203 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.978 11.147 -1.949 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.199 9.655 -2.487 1.00 0.00 H new ATOM 555 N ASP A 37 6.297 8.118 2.629 1.00 0.00 N ATOM 556 CA ASP A 37 6.737 8.393 4.003 1.00 0.00 C ATOM 557 C ASP A 37 7.715 7.288 4.465 1.00 0.00 C ATOM 558 O ASP A 37 8.491 7.513 5.387 1.00 0.00 O ATOM 559 CB ASP A 37 5.504 8.516 4.927 1.00 0.00 C ATOM 560 CG ASP A 37 5.823 8.984 6.355 1.00 0.00 C ATOM 561 OD1 ASP A 37 6.375 10.098 6.486 1.00 0.00 O ATOM 562 OD2 ASP A 37 5.484 8.246 7.312 1.00 0.00 O ATOM 0 H ASP A 37 5.310 7.863 2.587 1.00 0.00 H new ATOM 0 HA ASP A 37 7.273 9.341 4.048 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.798 9.215 4.478 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.006 7.548 4.978 1.00 0.00 H new ATOM 567 N ASN A 38 7.654 6.115 3.835 1.00 0.00 N ATOM 568 CA ASN A 38 8.472 4.938 4.152 1.00 0.00 C ATOM 569 C ASN A 38 9.669 4.840 3.179 1.00 0.00 C ATOM 570 O ASN A 38 10.601 4.087 3.447 1.00 0.00 O ATOM 571 CB ASN A 38 7.586 3.671 4.121 1.00 0.00 C ATOM 572 CG ASN A 38 8.034 2.568 5.077 1.00 0.00 C ATOM 573 OD1 ASN A 38 9.200 2.418 5.415 1.00 0.00 O ATOM 574 ND2 ASN A 38 7.110 1.749 5.543 1.00 0.00 N ATOM 0 H ASN A 38 7.011 5.949 3.061 1.00 0.00 H new ATOM 0 HA ASN A 38 8.885 5.032 5.156 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.561 3.952 4.364 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.575 3.274 3.106 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.370 0.997 6.181 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.136 1.868 5.265 1.00 0.00 H new ATOM 581 N GLY A 39 9.644 5.595 2.080 1.00 0.00 N ATOM 582 CA GLY A 39 10.741 5.673 1.112 1.00 0.00 C ATOM 583 C GLY A 39 10.698 4.557 0.068 1.00 0.00 C ATOM 584 O GLY A 39 11.474 3.613 0.134 1.00 0.00 O ATOM 0 H GLY A 39 8.846 6.181 1.832 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.704 6.638 0.606 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.691 5.629 1.644 1.00 0.00 H new ATOM 588 N VAL A 40 9.779 4.682 -0.888 1.00 0.00 N ATOM 589 CA VAL A 40 9.439 3.667 -1.896 1.00 0.00 C ATOM 590 C VAL A 40 9.636 4.263 -3.296 1.00 0.00 C ATOM 591 O VAL A 40 9.373 5.448 -3.468 1.00 0.00 O ATOM 592 CB VAL A 40 8.002 3.110 -1.686 1.00 0.00 C ATOM 593 CG1 VAL A 40 7.806 2.451 -0.308 1.00 0.00 C ATOM 594 CG2 VAL A 40 6.927 4.190 -1.900 1.00 0.00 C ATOM 0 H VAL A 40 9.223 5.531 -0.990 1.00 0.00 H new ATOM 0 HA VAL A 40 10.108 2.813 -1.787 1.00 0.00 H new ATOM 0 HB VAL A 40 7.882 2.337 -2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.784 2.083 -0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.502 1.619 -0.200 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.994 3.185 0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.939 3.756 -1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.083 5.004 -1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.996 4.576 -2.917 1.00 0.00 H new ATOM 604 N ASP A 41 10.114 3.458 -4.243 1.00 0.00 N ATOM 605 CA ASP A 41 10.147 3.727 -5.687 1.00 0.00 C ATOM 606 C ASP A 41 9.992 2.398 -6.465 1.00 0.00 C ATOM 607 O ASP A 41 10.893 2.012 -7.201 1.00 0.00 O ATOM 608 CB ASP A 41 11.456 4.470 -6.043 1.00 0.00 C ATOM 609 CG ASP A 41 11.557 4.911 -7.512 1.00 0.00 C ATOM 610 OD1 ASP A 41 12.687 4.909 -8.055 1.00 0.00 O ATOM 611 OD2 ASP A 41 10.503 5.280 -8.076 1.00 0.00 O ATOM 0 H ASP A 41 10.512 2.547 -4.014 1.00 0.00 H new ATOM 0 HA ASP A 41 9.316 4.371 -5.974 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.545 5.350 -5.405 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.302 3.822 -5.812 1.00 0.00 H new ATOM 616 N GLY A 42 8.863 1.711 -6.282 1.00 0.00 N ATOM 617 CA GLY A 42 8.687 0.304 -6.657 1.00 0.00 C ATOM 618 C GLY A 42 7.550 0.092 -7.656 1.00 0.00 C ATOM 619 O GLY A 42 7.374 0.887 -8.570 1.00 0.00 O ATOM 0 H GLY A 42 8.030 2.123 -5.862 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.616 -0.071 -7.087 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.490 -0.284 -5.760 1.00 0.00 H new ATOM 623 N GLU A 43 6.797 -0.990 -7.465 1.00 0.00 N ATOM 624 CA GLU A 43 5.751 -1.477 -8.363 1.00 0.00 C ATOM 625 C GLU A 43 4.713 -2.259 -7.535 1.00 0.00 C ATOM 626 O GLU A 43 5.090 -2.978 -6.617 1.00 0.00 O ATOM 627 CB GLU A 43 6.395 -2.335 -9.473 1.00 0.00 C ATOM 628 CG GLU A 43 6.930 -3.685 -8.978 1.00 0.00 C ATOM 629 CD GLU A 43 7.755 -4.389 -10.054 1.00 0.00 C ATOM 630 OE1 GLU A 43 7.336 -5.493 -10.464 1.00 0.00 O ATOM 631 OE2 GLU A 43 8.780 -3.802 -10.462 1.00 0.00 O ATOM 0 H GLU A 43 6.905 -1.580 -6.640 1.00 0.00 H new ATOM 0 HA GLU A 43 5.232 -0.652 -8.852 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.658 -2.512 -10.257 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.213 -1.774 -9.925 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.544 -3.531 -8.090 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.096 -4.322 -8.683 1.00 0.00 H new ATOM 638 N TRP A 44 3.424 -2.089 -7.842 1.00 0.00 N ATOM 639 CA TRP A 44 2.312 -2.399 -6.941 1.00 0.00 C ATOM 640 C TRP A 44 1.490 -3.601 -7.442 1.00 0.00 C ATOM 641 O TRP A 44 0.956 -3.558 -8.547 1.00 0.00 O ATOM 642 CB TRP A 44 1.437 -1.146 -6.760 1.00 0.00 C ATOM 643 CG TRP A 44 2.015 -0.098 -5.860 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.179 0.562 -6.060 1.00 0.00 C ATOM 645 CD2 TRP A 44 1.451 0.456 -4.630 1.00 0.00 C ATOM 646 NE1 TRP A 44 3.373 1.480 -5.048 1.00 0.00 N ATOM 647 CE2 TRP A 44 2.333 1.465 -4.142 1.00 0.00 C ATOM 648 CE3 TRP A 44 0.274 0.217 -3.888 1.00 0.00 C ATOM 649 CZ2 TRP A 44 2.064 2.202 -2.979 1.00 0.00 C ATOM 650 CZ3 TRP A 44 -0.007 0.951 -2.719 1.00 0.00 C ATOM 651 CH2 TRP A 44 0.882 1.941 -2.265 1.00 0.00 C ATOM 0 H TRP A 44 3.118 -1.724 -8.744 1.00 0.00 H new ATOM 0 HA TRP A 44 2.716 -2.688 -5.971 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.255 -0.703 -7.739 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.469 -1.451 -6.363 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.854 0.396 -6.886 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.185 2.094 -4.979 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.421 -0.539 -4.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.755 2.959 -2.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.913 0.751 -2.167 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.657 2.500 -1.369 1.00 0.00 H new ATOM 662 N THR A 45 1.395 -4.653 -6.623 1.00 0.00 N ATOM 663 CA THR A 45 0.841 -5.969 -6.975 1.00 0.00 C ATOM 664 C THR A 45 -0.241 -6.365 -5.973 1.00 0.00 C ATOM 665 O THR A 45 0.026 -6.479 -4.783 1.00 0.00 O ATOM 666 CB THR A 45 1.946 -7.038 -7.034 1.00 0.00 C ATOM 667 OG1 THR A 45 2.952 -6.640 -7.933 1.00 0.00 O ATOM 668 CG2 THR A 45 1.423 -8.403 -7.483 1.00 0.00 C ATOM 0 H THR A 45 1.715 -4.612 -5.655 1.00 0.00 H new ATOM 0 HA THR A 45 0.394 -5.900 -7.967 1.00 0.00 H new ATOM 0 HB THR A 45 2.337 -7.134 -6.021 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.653 -7.325 -7.964 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.245 -9.118 -7.506 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.661 -8.749 -6.784 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.989 -8.317 -8.479 1.00 0.00 H new ATOM 676 N TYR A 46 -1.466 -6.558 -6.463 1.00 0.00 N ATOM 677 CA TYR A 46 -2.659 -6.777 -5.636 1.00 0.00 C ATOM 678 C TYR A 46 -3.013 -8.273 -5.527 1.00 0.00 C ATOM 679 O TYR A 46 -3.233 -8.903 -6.554 1.00 0.00 O ATOM 680 CB TYR A 46 -3.831 -5.960 -6.208 1.00 0.00 C ATOM 681 CG TYR A 46 -5.102 -6.050 -5.386 1.00 0.00 C ATOM 682 CD1 TYR A 46 -5.188 -5.405 -4.136 1.00 0.00 C ATOM 683 CD2 TYR A 46 -6.217 -6.737 -5.899 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.386 -5.450 -3.396 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.418 -6.787 -5.165 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.505 -6.143 -3.909 1.00 0.00 C ATOM 687 OH TYR A 46 -8.666 -6.190 -3.205 1.00 0.00 O ATOM 0 H TYR A 46 -1.663 -6.567 -7.464 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.449 -6.436 -4.622 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.531 -4.915 -6.281 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.040 -6.303 -7.221 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.333 -4.874 -3.744 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.152 -7.228 -6.859 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.449 -4.955 -2.438 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.272 -7.317 -5.561 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.218 -6.930 -3.533 1.00 0.00 H new ATOM 697 N ASP A 47 -3.071 -8.795 -4.302 1.00 0.00 N ATOM 698 CA ASP A 47 -3.728 -10.049 -3.914 1.00 0.00 C ATOM 699 C ASP A 47 -5.121 -9.740 -3.316 1.00 0.00 C ATOM 700 O ASP A 47 -5.182 -9.084 -2.282 1.00 0.00 O ATOM 701 CB ASP A 47 -2.822 -10.825 -2.930 1.00 0.00 C ATOM 702 CG ASP A 47 -1.560 -11.425 -3.568 1.00 0.00 C ATOM 703 OD1 ASP A 47 -1.718 -12.327 -4.419 1.00 0.00 O ATOM 704 OD2 ASP A 47 -0.444 -10.959 -3.229 1.00 0.00 O ATOM 0 H ASP A 47 -2.636 -8.329 -3.506 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.881 -10.684 -4.786 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.523 -10.154 -2.124 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.403 -11.629 -2.477 1.00 0.00 H new ATOM 709 N ASP A 48 -6.185 -10.199 -3.974 1.00 0.00 N ATOM 710 CA ASP A 48 -7.594 -9.915 -3.671 1.00 0.00 C ATOM 711 C ASP A 48 -8.008 -10.670 -2.386 1.00 0.00 C ATOM 712 O ASP A 48 -9.075 -10.404 -1.843 1.00 0.00 O ATOM 713 CB ASP A 48 -8.471 -10.291 -4.886 1.00 0.00 C ATOM 714 CG ASP A 48 -9.944 -9.874 -4.761 1.00 0.00 C ATOM 715 OD1 ASP A 48 -10.823 -10.761 -4.873 1.00 0.00 O ATOM 716 OD2 ASP A 48 -10.185 -8.660 -4.587 1.00 0.00 O ATOM 0 H ASP A 48 -6.085 -10.815 -4.781 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.737 -8.851 -3.485 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.050 -9.829 -5.779 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.423 -11.370 -5.033 1.00 0.00 H new ATOM 721 N ALA A 49 -7.174 -11.605 -1.929 1.00 0.00 N ATOM 722 CA ALA A 49 -7.458 -12.520 -0.821 1.00 0.00 C ATOM 723 C ALA A 49 -7.622 -11.743 0.498 1.00 0.00 C ATOM 724 O ALA A 49 -8.719 -11.705 1.052 1.00 0.00 O ATOM 725 CB ALA A 49 -6.335 -13.567 -0.734 1.00 0.00 C ATOM 0 H ALA A 49 -6.249 -11.752 -2.334 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.400 -13.037 -1.002 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.539 -14.252 0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.286 -14.126 -1.668 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.383 -13.066 -0.561 1.00 0.00 H new ATOM 731 N THR A 50 -6.539 -11.122 0.975 1.00 0.00 N ATOM 732 CA THR A 50 -6.522 -10.153 2.081 1.00 0.00 C ATOM 733 C THR A 50 -6.437 -8.732 1.527 1.00 0.00 C ATOM 734 O THR A 50 -6.053 -7.802 2.226 1.00 0.00 O ATOM 735 CB THR A 50 -5.355 -10.429 3.045 1.00 0.00 C ATOM 736 OG1 THR A 50 -4.955 -9.232 3.667 1.00 0.00 O ATOM 737 CG2 THR A 50 -4.137 -11.027 2.343 1.00 0.00 C ATOM 0 H THR A 50 -5.610 -11.286 0.586 1.00 0.00 H new ATOM 0 HA THR A 50 -7.449 -10.259 2.645 1.00 0.00 H new ATOM 0 HB THR A 50 -5.721 -11.152 3.774 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.679 -8.574 3.606 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.346 -11.200 3.072 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.414 -11.972 1.876 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.781 -10.335 1.579 1.00 0.00 H new ATOM 745 N LYS A 51 -6.786 -8.567 0.247 1.00 0.00 N ATOM 746 CA LYS A 51 -6.688 -7.271 -0.452 1.00 0.00 C ATOM 747 C LYS A 51 -5.331 -6.557 -0.241 1.00 0.00 C ATOM 748 O LYS A 51 -5.313 -5.353 0.001 1.00 0.00 O ATOM 749 CB LYS A 51 -7.913 -6.406 -0.072 1.00 0.00 C ATOM 750 CG LYS A 51 -9.234 -7.181 -0.209 1.00 0.00 C ATOM 751 CD LYS A 51 -10.439 -6.231 -0.181 1.00 0.00 C ATOM 752 CE LYS A 51 -11.645 -6.920 -0.830 1.00 0.00 C ATOM 753 NZ LYS A 51 -12.743 -5.961 -1.112 1.00 0.00 N ATOM 0 H LYS A 51 -7.144 -9.323 -0.337 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.711 -7.450 -1.527 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.804 -6.055 0.954 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.944 -5.522 -0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.233 -7.745 -1.142 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.320 -7.905 0.601 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.674 -5.954 0.847 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.202 -5.310 -0.713 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.334 -7.399 -1.758 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.011 -7.708 -0.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.540 -6.465 -1.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.058 -5.522 -0.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.401 -5.223 -1.760 1.00 0.00 H new ATOM 767 N THR A 52 -4.227 -7.308 -0.298 1.00 0.00 N ATOM 768 CA THR A 52 -2.870 -6.870 0.060 1.00 0.00 C ATOM 769 C THR A 52 -2.197 -6.216 -1.144 1.00 0.00 C ATOM 770 O THR A 52 -2.230 -6.760 -2.241 1.00 0.00 O ATOM 771 CB THR A 52 -2.024 -8.044 0.583 1.00 0.00 C ATOM 772 OG1 THR A 52 -2.534 -8.489 1.816 1.00 0.00 O ATOM 773 CG2 THR A 52 -0.555 -7.671 0.782 1.00 0.00 C ATOM 0 H THR A 52 -4.253 -8.279 -0.608 1.00 0.00 H new ATOM 0 HA THR A 52 -2.948 -6.137 0.863 1.00 0.00 H new ATOM 0 HB THR A 52 -2.079 -8.827 -0.173 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.992 -9.237 2.143 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.007 -8.537 1.152 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.129 -7.351 -0.169 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.481 -6.859 1.505 1.00 0.00 H new ATOM 781 N PHE A 53 -1.603 -5.040 -0.933 1.00 0.00 N ATOM 782 CA PHE A 53 -0.658 -4.405 -1.856 1.00 0.00 C ATOM 783 C PHE A 53 0.794 -4.639 -1.400 1.00 0.00 C ATOM 784 O PHE A 53 1.268 -3.950 -0.500 1.00 0.00 O ATOM 785 CB PHE A 53 -0.990 -2.906 -1.978 1.00 0.00 C ATOM 786 CG PHE A 53 -2.304 -2.616 -2.676 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.355 -2.490 -4.078 1.00 0.00 C ATOM 788 CD2 PHE A 53 -3.488 -2.512 -1.921 1.00 0.00 C ATOM 789 CE1 PHE A 53 -3.586 -2.264 -4.719 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.717 -2.284 -2.564 1.00 0.00 C ATOM 791 CZ PHE A 53 -4.766 -2.161 -3.962 1.00 0.00 C ATOM 0 H PHE A 53 -1.770 -4.487 -0.092 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.754 -4.857 -2.843 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.017 -2.469 -0.980 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.186 -2.410 -2.521 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.449 -2.567 -4.661 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.452 -2.608 -0.846 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.625 -2.169 -5.794 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.624 -2.203 -1.983 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.711 -1.987 -4.456 1.00 0.00 H new ATOM 801 N THR A 54 1.483 -5.595 -2.029 1.00 0.00 N ATOM 802 CA THR A 54 2.904 -5.910 -1.820 1.00 0.00 C ATOM 803 C THR A 54 3.764 -5.108 -2.795 1.00 0.00 C ATOM 804 O THR A 54 3.612 -5.243 -4.001 1.00 0.00 O ATOM 805 CB THR A 54 3.170 -7.417 -1.976 1.00 0.00 C ATOM 806 OG1 THR A 54 2.501 -8.128 -0.962 1.00 0.00 O ATOM 807 CG2 THR A 54 4.655 -7.766 -1.897 1.00 0.00 C ATOM 0 H THR A 54 1.050 -6.198 -2.728 1.00 0.00 H new ATOM 0 HA THR A 54 3.171 -5.632 -0.800 1.00 0.00 H new ATOM 0 HB THR A 54 2.804 -7.695 -2.964 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.672 -9.087 -1.067 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.783 -8.842 -2.013 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.193 -7.249 -2.691 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.051 -7.456 -0.930 1.00 0.00 H new ATOM 815 N VAL A 55 4.650 -4.268 -2.258 1.00 0.00 N ATOM 816 CA VAL A 55 5.506 -3.330 -2.999 1.00 0.00 C ATOM 817 C VAL A 55 6.968 -3.780 -2.872 1.00 0.00 C ATOM 818 O VAL A 55 7.445 -3.972 -1.757 1.00 0.00 O ATOM 819 CB VAL A 55 5.294 -1.863 -2.528 1.00 0.00 C ATOM 820 CG1 VAL A 55 6.427 -0.918 -2.967 1.00 0.00 C ATOM 821 CG2 VAL A 55 3.941 -1.297 -2.989 1.00 0.00 C ATOM 0 H VAL A 55 4.800 -4.218 -1.250 1.00 0.00 H new ATOM 0 HA VAL A 55 5.229 -3.344 -4.053 1.00 0.00 H new ATOM 0 HB VAL A 55 5.303 -1.911 -1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.220 0.090 -2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.372 -1.265 -2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.492 -0.909 -4.055 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.837 -0.271 -2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.891 -1.314 -4.078 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.134 -1.904 -2.580 1.00 0.00 H new ATOM 831 N THR A 56 7.652 -3.972 -4.005 1.00 0.00 N ATOM 832 CA THR A 56 9.103 -4.189 -4.105 1.00 0.00 C ATOM 833 C THR A 56 9.758 -3.008 -4.817 1.00 0.00 C ATOM 834 O THR A 56 9.211 -2.554 -5.817 1.00 0.00 O ATOM 835 CB THR A 56 9.420 -5.506 -4.835 1.00 0.00 C ATOM 836 OG1 THR A 56 8.699 -5.569 -6.042 1.00 0.00 O ATOM 837 CG2 THR A 56 9.063 -6.739 -4.006 1.00 0.00 C ATOM 0 H THR A 56 7.193 -3.981 -4.916 1.00 0.00 H new ATOM 0 HA THR A 56 9.509 -4.264 -3.096 1.00 0.00 H new ATOM 0 HB THR A 56 10.495 -5.511 -5.015 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.906 -6.409 -6.503 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.307 -7.640 -4.569 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.630 -6.728 -3.075 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.996 -6.730 -3.781 1.00 0.00 H new ATOM 845 N GLU A 57 10.887 -2.540 -4.284 1.00 0.00 N ATOM 846 CA GLU A 57 11.920 -1.696 -4.908 1.00 0.00 C ATOM 847 C GLU A 57 12.905 -2.605 -5.675 1.00 0.00 C ATOM 848 O GLU A 57 13.239 -2.238 -6.828 1.00 0.00 O ATOM 849 CB GLU A 57 12.604 -0.842 -3.813 1.00 0.00 C ATOM 850 CG GLU A 57 13.241 0.464 -4.320 1.00 0.00 C ATOM 851 CD GLU A 57 14.402 0.943 -3.415 1.00 0.00 C ATOM 852 OE1 GLU A 57 14.134 1.369 -2.264 1.00 0.00 O ATOM 853 OE2 GLU A 57 15.574 0.865 -3.861 1.00 0.00 O ATOM 0 H GLU A 57 11.128 -2.759 -3.317 1.00 0.00 H new ATOM 0 HA GLU A 57 11.490 -1.002 -5.630 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.866 -0.598 -3.049 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.375 -1.443 -3.331 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.612 0.315 -5.334 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.479 1.241 -4.371 1.00 0.00 H new TER 860 GLU A 57