USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 743 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 2 SER OG : rot -134:sc= 1.26 USER MOD Set 1.2: A 59 SER OG : rot 73:sc= 1.78 USER MOD Set 2.1: A 52 THR OG1 : rot 180:sc= 0.0191 USER MOD Set 2.2: A 53 ASN : amide:sc= 0 X(o=0.019,f=0.18) USER MOD Set 3.1: A 5 LYS NZ :NH3+ -123:sc= 0.913 (180deg=-0.0106) USER MOD Set 3.2: A 21 TYR OH : rot 30:sc= 0 USER MOD Single : A 1 SER OG : rot 180:sc= 0.216 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 28:sc= 0.867 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ -106:sc= 0.0731 (180deg=0) USER MOD Single : A 12 CYS SG : rot 82:sc= 0.23 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -175:sc= -0.343 (180deg=-0.415) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.0294 K(o=0.029,f=-2.3!) USER MOD Single : A 32 GLN : amide:sc= 0.212 X(o=0.21,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -129:sc= 0 (180deg=-0.071) USER MOD Single : A 36 CYS SG : rot 30:sc= -0.627 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 45 TYR OH : rot -159:sc= 1.03 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.33) USER MOD Single : A 51 SER OG : rot 140:sc= 1.21 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.161 K(o=-0.16,f=-2.1!) USER MOD Single : A 60 ASN : amide:sc= 0.773 K(o=0.77,f=0) USER MOD Single : A 67 ASN : amide:sc= 0.959 K(o=0.96,f=-7.2!) USER MOD Single : A 68 TYR OH : rot 130:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 18.180 -1.903 17.741 1.00 0.00 N ATOM 2 CA GLY A -3 17.537 -1.149 16.642 1.00 0.00 C ATOM 3 C GLY A -3 17.071 -2.067 15.519 1.00 0.00 C ATOM 4 O GLY A -3 17.428 -3.245 15.472 1.00 0.00 O ATOM 0 H1 GLY A -3 17.537 -1.944 18.557 1.00 0.00 H new ATOM 0 H2 GLY A -3 18.394 -2.869 17.420 1.00 0.00 H new ATOM 0 H3 GLY A -3 19.062 -1.427 18.019 1.00 0.00 H new ATOM 0 HA2 GLY A -3 16.685 -0.593 17.033 1.00 0.00 H new ATOM 0 HA3 GLY A -3 18.240 -0.417 16.244 1.00 0.00 H new ATOM 10 N SER A -2 16.279 -1.534 14.589 1.00 0.00 N ATOM 11 CA SER A -2 15.668 -2.270 13.466 1.00 0.00 C ATOM 12 C SER A -2 15.135 -1.313 12.377 1.00 0.00 C ATOM 13 O SER A -2 15.003 -0.107 12.598 1.00 0.00 O ATOM 14 CB SER A -2 14.548 -3.205 13.973 1.00 0.00 C ATOM 15 OG SER A -2 13.521 -2.497 14.665 1.00 0.00 O ATOM 0 H SER A -2 16.032 -0.544 14.591 1.00 0.00 H new ATOM 0 HA SER A -2 16.447 -2.880 13.009 1.00 0.00 H new ATOM 0 HB2 SER A -2 14.112 -3.737 13.128 1.00 0.00 H new ATOM 0 HB3 SER A -2 14.978 -3.956 14.636 1.00 0.00 H new ATOM 0 HG SER A -2 12.834 -3.128 14.966 1.00 0.00 H new ATOM 21 N SER A -1 14.837 -1.836 11.183 1.00 0.00 N ATOM 22 CA SER A -1 14.331 -1.105 10.004 1.00 0.00 C ATOM 23 C SER A -1 13.755 -2.085 8.962 1.00 0.00 C ATOM 24 O SER A -1 14.114 -3.268 8.946 1.00 0.00 O ATOM 25 CB SER A -1 15.451 -0.268 9.353 1.00 0.00 C ATOM 26 OG SER A -1 15.734 0.915 10.088 1.00 0.00 O ATOM 0 H SER A -1 14.946 -2.833 10.998 1.00 0.00 H new ATOM 0 HA SER A -1 13.540 -0.436 10.344 1.00 0.00 H new ATOM 0 HB2 SER A -1 16.356 -0.871 9.277 1.00 0.00 H new ATOM 0 HB3 SER A -1 15.159 -0.001 8.337 1.00 0.00 H new ATOM 0 HG SER A -1 15.521 0.772 11.034 1.00 0.00 H new ATOM 32 N GLY A 0 12.866 -1.603 8.081 1.00 0.00 N ATOM 33 CA GLY A 0 12.266 -2.398 7.001 1.00 0.00 C ATOM 34 C GLY A 0 11.348 -1.598 6.074 1.00 0.00 C ATOM 35 O GLY A 0 10.878 -0.517 6.424 1.00 0.00 O ATOM 0 H GLY A 0 12.540 -0.637 8.100 1.00 0.00 H new ATOM 0 HA2 GLY A 0 13.063 -2.846 6.408 1.00 0.00 H new ATOM 0 HA3 GLY A 0 11.697 -3.217 7.440 1.00 0.00 H new ATOM 39 N SER A 1 11.081 -2.155 4.896 1.00 0.00 N ATOM 40 CA SER A 1 10.277 -1.574 3.807 1.00 0.00 C ATOM 41 C SER A 1 9.970 -2.660 2.746 1.00 0.00 C ATOM 42 O SER A 1 10.098 -3.857 3.020 1.00 0.00 O ATOM 43 CB SER A 1 11.011 -0.357 3.205 1.00 0.00 C ATOM 44 OG SER A 1 10.157 0.409 2.363 1.00 0.00 O ATOM 0 H SER A 1 11.438 -3.079 4.654 1.00 0.00 H new ATOM 0 HA SER A 1 9.323 -1.218 4.196 1.00 0.00 H new ATOM 0 HB2 SER A 1 11.390 0.274 4.009 1.00 0.00 H new ATOM 0 HB3 SER A 1 11.874 -0.699 2.634 1.00 0.00 H new ATOM 0 HG SER A 1 10.654 1.172 2.001 1.00 0.00 H new ATOM 50 N SER A 2 9.589 -2.279 1.526 1.00 0.00 N ATOM 51 CA SER A 2 9.262 -3.192 0.420 1.00 0.00 C ATOM 52 C SER A 2 9.513 -2.559 -0.959 1.00 0.00 C ATOM 53 O SER A 2 9.733 -1.348 -1.081 1.00 0.00 O ATOM 54 CB SER A 2 7.805 -3.671 0.539 1.00 0.00 C ATOM 55 OG SER A 2 6.885 -2.646 0.201 1.00 0.00 O ATOM 0 H SER A 2 9.495 -1.297 1.268 1.00 0.00 H new ATOM 0 HA SER A 2 9.930 -4.050 0.500 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.650 -4.529 -0.115 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.615 -4.008 1.558 1.00 0.00 H new ATOM 0 HG SER A 2 6.170 -2.614 0.871 1.00 0.00 H new ATOM 61 N GLY A 3 9.459 -3.374 -2.022 1.00 0.00 N ATOM 62 CA GLY A 3 9.678 -2.916 -3.399 1.00 0.00 C ATOM 63 C GLY A 3 8.584 -1.970 -3.892 1.00 0.00 C ATOM 64 O GLY A 3 8.882 -1.040 -4.637 1.00 0.00 O ATOM 0 H GLY A 3 9.262 -4.372 -1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 3 10.642 -2.411 -3.460 1.00 0.00 H new ATOM 0 HA3 GLY A 3 9.729 -3.781 -4.060 1.00 0.00 H new ATOM 68 N ILE A 4 7.333 -2.155 -3.454 1.00 0.00 N ATOM 69 CA ILE A 4 6.213 -1.264 -3.816 1.00 0.00 C ATOM 70 C ILE A 4 6.212 0.031 -2.995 1.00 0.00 C ATOM 71 O ILE A 4 5.935 1.100 -3.541 1.00 0.00 O ATOM 72 CB ILE A 4 4.870 -2.028 -3.775 1.00 0.00 C ATOM 73 CG1 ILE A 4 3.713 -1.240 -4.421 1.00 0.00 C ATOM 74 CG2 ILE A 4 4.458 -2.437 -2.349 1.00 0.00 C ATOM 75 CD1 ILE A 4 3.888 -0.973 -5.921 1.00 0.00 C ATOM 0 H ILE A 4 7.064 -2.924 -2.840 1.00 0.00 H new ATOM 0 HA ILE A 4 6.355 -0.940 -4.847 1.00 0.00 H new ATOM 0 HB ILE A 4 5.052 -2.929 -4.361 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.785 -1.791 -4.268 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.606 -0.286 -3.905 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.508 -2.970 -2.384 1.00 0.00 H new ATOM 0 HG22 ILE A 4 5.222 -3.086 -1.921 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.352 -1.545 -1.731 1.00 0.00 H new ATOM 0 HD11 ILE A 4 3.030 -0.414 -6.294 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.797 -0.394 -6.084 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.962 -1.921 -6.453 1.00 0.00 H new ATOM 87 N LYS A 5 6.626 -0.024 -1.724 1.00 0.00 N ATOM 88 CA LYS A 5 6.881 1.167 -0.903 1.00 0.00 C ATOM 89 C LYS A 5 7.987 2.037 -1.517 1.00 0.00 C ATOM 90 O LYS A 5 7.810 3.247 -1.674 1.00 0.00 O ATOM 91 CB LYS A 5 7.252 0.722 0.524 1.00 0.00 C ATOM 92 CG LYS A 5 6.019 0.347 1.362 1.00 0.00 C ATOM 93 CD LYS A 5 5.365 1.588 1.984 1.00 0.00 C ATOM 94 CE LYS A 5 6.151 2.042 3.227 1.00 0.00 C ATOM 95 NZ LYS A 5 5.710 3.373 3.723 1.00 0.00 N ATOM 0 H LYS A 5 6.795 -0.902 -1.232 1.00 0.00 H new ATOM 0 HA LYS A 5 5.979 1.778 -0.866 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.925 -0.134 0.471 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.795 1.525 1.022 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.295 -0.171 0.734 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.311 -0.346 2.151 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.332 2.395 1.252 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.334 1.365 2.259 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.030 1.304 4.020 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.214 2.081 2.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.523 4.021 3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.981 3.756 3.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.318 3.274 4.681 1.00 0.00 H new ATOM 109 N ASN A 6 9.095 1.419 -1.937 1.00 0.00 N ATOM 110 CA ASN A 6 10.179 2.103 -2.640 1.00 0.00 C ATOM 111 C ASN A 6 9.735 2.651 -4.009 1.00 0.00 C ATOM 112 O ASN A 6 10.153 3.745 -4.386 1.00 0.00 O ATOM 113 CB ASN A 6 11.359 1.136 -2.802 1.00 0.00 C ATOM 114 CG ASN A 6 12.588 1.824 -3.394 1.00 0.00 C ATOM 115 OD1 ASN A 6 13.087 2.812 -2.869 1.00 0.00 O ATOM 116 ND2 ASN A 6 13.105 1.330 -4.505 1.00 0.00 N ATOM 0 H ASN A 6 9.264 0.423 -1.797 1.00 0.00 H new ATOM 0 HA ASN A 6 10.481 2.964 -2.044 1.00 0.00 H new ATOM 0 HB2 ASN A 6 11.614 0.710 -1.832 1.00 0.00 H new ATOM 0 HB3 ASN A 6 11.063 0.307 -3.445 1.00 0.00 H new ATOM 0 HD21 ASN A 6 13.922 1.771 -4.928 1.00 0.00 H new ATOM 0 HD22 ASN A 6 12.687 0.507 -4.940 1.00 0.00 H new ATOM 123 N PHE A 7 8.865 1.938 -4.737 1.00 0.00 N ATOM 124 CA PHE A 7 8.378 2.359 -6.051 1.00 0.00 C ATOM 125 C PHE A 7 7.479 3.597 -5.957 1.00 0.00 C ATOM 126 O PHE A 7 7.686 4.542 -6.717 1.00 0.00 O ATOM 127 CB PHE A 7 7.655 1.195 -6.739 1.00 0.00 C ATOM 128 CG PHE A 7 7.129 1.542 -8.117 1.00 0.00 C ATOM 129 CD1 PHE A 7 7.981 1.470 -9.234 1.00 0.00 C ATOM 130 CD2 PHE A 7 5.802 1.983 -8.278 1.00 0.00 C ATOM 131 CE1 PHE A 7 7.507 1.835 -10.506 1.00 0.00 C ATOM 132 CE2 PHE A 7 5.331 2.353 -9.549 1.00 0.00 C ATOM 133 CZ PHE A 7 6.181 2.273 -10.667 1.00 0.00 C ATOM 0 H PHE A 7 8.479 1.047 -4.425 1.00 0.00 H new ATOM 0 HA PHE A 7 9.238 2.643 -6.657 1.00 0.00 H new ATOM 0 HB2 PHE A 7 8.339 0.350 -6.822 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.824 0.872 -6.112 1.00 0.00 H new ATOM 0 HD1 PHE A 7 9.000 1.134 -9.114 1.00 0.00 H new ATOM 0 HD2 PHE A 7 5.145 2.037 -7.423 1.00 0.00 H new ATOM 0 HE1 PHE A 7 8.163 1.779 -11.362 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.315 2.699 -9.668 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.816 2.547 -11.646 1.00 0.00 H new ATOM 143 N LEU A 8 6.535 3.635 -5.007 1.00 0.00 N ATOM 144 CA LEU A 8 5.701 4.819 -4.778 1.00 0.00 C ATOM 145 C LEU A 8 6.545 6.012 -4.317 1.00 0.00 C ATOM 146 O LEU A 8 6.377 7.118 -4.827 1.00 0.00 O ATOM 147 CB LEU A 8 4.586 4.480 -3.770 1.00 0.00 C ATOM 148 CG LEU A 8 3.600 5.641 -3.493 1.00 0.00 C ATOM 149 CD1 LEU A 8 2.971 6.238 -4.763 1.00 0.00 C ATOM 150 CD2 LEU A 8 2.477 5.150 -2.570 1.00 0.00 C ATOM 0 H LEU A 8 6.331 2.855 -4.383 1.00 0.00 H new ATOM 0 HA LEU A 8 5.235 5.112 -5.719 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.024 3.623 -4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.044 4.176 -2.829 1.00 0.00 H new ATOM 0 HG LEU A 8 4.185 6.433 -3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.292 7.045 -4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.757 6.629 -5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.417 5.463 -5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.783 5.967 -2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.945 4.329 -3.050 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.905 4.805 -1.629 1.00 0.00 H new ATOM 162 N TYR A 9 7.493 5.787 -3.402 1.00 0.00 N ATOM 163 CA TYR A 9 8.383 6.839 -2.910 1.00 0.00 C ATOM 164 C TYR A 9 9.289 7.412 -4.018 1.00 0.00 C ATOM 165 O TYR A 9 9.423 8.631 -4.136 1.00 0.00 O ATOM 166 CB TYR A 9 9.208 6.293 -1.738 1.00 0.00 C ATOM 167 CG TYR A 9 10.019 7.358 -1.024 1.00 0.00 C ATOM 168 CD1 TYR A 9 9.416 8.140 -0.020 1.00 0.00 C ATOM 169 CD2 TYR A 9 11.364 7.583 -1.378 1.00 0.00 C ATOM 170 CE1 TYR A 9 10.154 9.147 0.631 1.00 0.00 C ATOM 171 CE2 TYR A 9 12.107 8.590 -0.731 1.00 0.00 C ATOM 172 CZ TYR A 9 11.502 9.377 0.276 1.00 0.00 C ATOM 173 OH TYR A 9 12.213 10.354 0.908 1.00 0.00 O ATOM 0 H TYR A 9 7.663 4.873 -2.984 1.00 0.00 H new ATOM 0 HA TYR A 9 7.770 7.672 -2.566 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.538 5.817 -1.022 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.882 5.520 -2.107 1.00 0.00 H new ATOM 0 HD1 TYR A 9 8.385 7.967 0.251 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.826 6.982 -2.147 1.00 0.00 H new ATOM 0 HE1 TYR A 9 9.689 9.744 1.402 1.00 0.00 H new ATOM 0 HE2 TYR A 9 13.138 8.761 -1.004 1.00 0.00 H new ATOM 0 HH TYR A 9 13.124 10.381 0.547 1.00 0.00 H new ATOM 183 N ALA A 10 9.859 6.551 -4.869 1.00 0.00 N ATOM 184 CA ALA A 10 10.664 6.956 -6.025 1.00 0.00 C ATOM 185 C ALA A 10 9.833 7.679 -7.099 1.00 0.00 C ATOM 186 O ALA A 10 10.284 8.686 -7.642 1.00 0.00 O ATOM 187 CB ALA A 10 11.366 5.717 -6.596 1.00 0.00 C ATOM 0 H ALA A 10 9.772 5.539 -4.772 1.00 0.00 H new ATOM 0 HA ALA A 10 11.409 7.680 -5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.969 6.005 -7.457 1.00 0.00 H new ATOM 0 HB2 ALA A 10 12.009 5.279 -5.833 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.619 4.985 -6.904 1.00 0.00 H new ATOM 193 N TRP A 11 8.605 7.223 -7.370 1.00 0.00 N ATOM 194 CA TRP A 11 7.676 7.883 -8.291 1.00 0.00 C ATOM 195 C TRP A 11 7.320 9.299 -7.814 1.00 0.00 C ATOM 196 O TRP A 11 7.392 10.254 -8.587 1.00 0.00 O ATOM 197 CB TRP A 11 6.420 7.017 -8.444 1.00 0.00 C ATOM 198 CG TRP A 11 5.376 7.594 -9.348 1.00 0.00 C ATOM 199 CD1 TRP A 11 5.245 7.362 -10.673 1.00 0.00 C ATOM 200 CD2 TRP A 11 4.293 8.510 -8.998 1.00 0.00 C ATOM 201 NE1 TRP A 11 4.191 8.101 -11.175 1.00 0.00 N ATOM 202 CE2 TRP A 11 3.573 8.835 -10.184 1.00 0.00 C ATOM 203 CE3 TRP A 11 3.838 9.085 -7.792 1.00 0.00 C ATOM 204 CZ2 TRP A 11 2.479 9.710 -10.173 1.00 0.00 C ATOM 205 CZ3 TRP A 11 2.731 9.954 -7.768 1.00 0.00 C ATOM 206 CH2 TRP A 11 2.058 10.276 -8.959 1.00 0.00 C ATOM 0 H TRP A 11 8.225 6.375 -6.950 1.00 0.00 H new ATOM 0 HA TRP A 11 8.159 7.991 -9.262 1.00 0.00 H new ATOM 0 HB2 TRP A 11 6.713 6.039 -8.825 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.982 6.857 -7.459 1.00 0.00 H new ATOM 0 HD1 TRP A 11 5.870 6.699 -11.252 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.906 8.103 -12.154 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.349 8.854 -6.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 1.963 9.947 -11.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.398 10.375 -6.831 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.220 10.957 -8.941 1.00 0.00 H new ATOM 217 N CYS A 12 7.014 9.448 -6.520 1.00 0.00 N ATOM 218 CA CYS A 12 6.801 10.751 -5.878 1.00 0.00 C ATOM 219 C CYS A 12 8.047 11.652 -5.987 1.00 0.00 C ATOM 220 O CYS A 12 7.935 12.812 -6.385 1.00 0.00 O ATOM 221 CB CYS A 12 6.406 10.527 -4.411 1.00 0.00 C ATOM 222 SG CYS A 12 4.752 9.795 -4.269 1.00 0.00 S ATOM 0 H CYS A 12 6.906 8.659 -5.882 1.00 0.00 H new ATOM 0 HA CYS A 12 5.995 11.271 -6.396 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.136 9.874 -3.933 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.431 11.477 -3.878 1.00 0.00 H new ATOM 0 HG CYS A 12 4.830 8.509 -4.441 1.00 0.00 H new ATOM 228 N GLY A 13 9.238 11.110 -5.708 1.00 0.00 N ATOM 229 CA GLY A 13 10.510 11.848 -5.718 1.00 0.00 C ATOM 230 C GLY A 13 10.948 12.314 -7.110 1.00 0.00 C ATOM 231 O GLY A 13 11.592 13.356 -7.229 1.00 0.00 O ATOM 0 H GLY A 13 9.349 10.126 -5.464 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.419 12.717 -5.067 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.290 11.214 -5.296 1.00 0.00 H new ATOM 235 N LYS A 14 10.538 11.614 -8.173 1.00 0.00 N ATOM 236 CA LYS A 14 10.760 12.019 -9.574 1.00 0.00 C ATOM 237 C LYS A 14 9.796 13.135 -10.032 1.00 0.00 C ATOM 238 O LYS A 14 9.975 13.712 -11.109 1.00 0.00 O ATOM 239 CB LYS A 14 10.655 10.771 -10.473 1.00 0.00 C ATOM 240 CG LYS A 14 11.885 9.860 -10.331 1.00 0.00 C ATOM 241 CD LYS A 14 11.689 8.548 -11.103 1.00 0.00 C ATOM 242 CE LYS A 14 12.930 7.659 -10.946 1.00 0.00 C ATOM 243 NZ LYS A 14 12.797 6.388 -11.704 1.00 0.00 N ATOM 0 H LYS A 14 10.032 10.732 -8.087 1.00 0.00 H new ATOM 0 HA LYS A 14 11.759 12.447 -9.657 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.756 10.211 -10.214 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.550 11.080 -11.513 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.770 10.377 -10.703 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.062 9.643 -9.278 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.807 8.026 -10.732 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.513 8.759 -12.158 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.811 8.199 -11.294 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.088 7.438 -9.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.655 5.814 -11.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.971 5.861 -11.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.672 6.598 -12.715 1.00 0.00 H new ATOM 257 N ARG A 15 8.795 13.453 -9.199 1.00 0.00 N ATOM 258 CA ARG A 15 7.739 14.450 -9.418 1.00 0.00 C ATOM 259 C ARG A 15 7.747 15.569 -8.353 1.00 0.00 C ATOM 260 O ARG A 15 6.815 16.370 -8.299 1.00 0.00 O ATOM 261 CB ARG A 15 6.385 13.717 -9.458 1.00 0.00 C ATOM 262 CG ARG A 15 6.287 12.682 -10.595 1.00 0.00 C ATOM 263 CD ARG A 15 4.941 11.949 -10.611 1.00 0.00 C ATOM 264 NE ARG A 15 3.814 12.845 -10.944 1.00 0.00 N ATOM 265 CZ ARG A 15 2.930 12.691 -11.925 1.00 0.00 C ATOM 266 NH1 ARG A 15 2.997 11.737 -12.827 1.00 0.00 N ATOM 267 NH2 ARG A 15 1.909 13.506 -12.040 1.00 0.00 N ATOM 0 H ARG A 15 8.696 12.990 -8.296 1.00 0.00 H new ATOM 0 HA ARG A 15 7.920 14.953 -10.368 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.223 13.215 -8.504 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.586 14.450 -9.573 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.435 13.184 -11.551 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.092 11.954 -10.489 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.982 11.136 -11.336 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.765 11.497 -9.635 1.00 0.00 H new ATOM 0 HE ARG A 15 3.702 13.672 -10.357 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.760 11.061 -12.798 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.286 11.673 -13.555 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.787 14.268 -11.373 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.237 13.378 -12.797 1.00 0.00 H new ATOM 281 N LYS A 16 8.777 15.621 -7.492 1.00 0.00 N ATOM 282 CA LYS A 16 8.964 16.602 -6.401 1.00 0.00 C ATOM 283 C LYS A 16 7.888 16.503 -5.287 1.00 0.00 C ATOM 284 O LYS A 16 7.508 17.507 -4.676 1.00 0.00 O ATOM 285 CB LYS A 16 9.147 18.032 -6.965 1.00 0.00 C ATOM 286 CG LYS A 16 10.316 18.146 -7.959 1.00 0.00 C ATOM 287 CD LYS A 16 10.511 19.605 -8.404 1.00 0.00 C ATOM 288 CE LYS A 16 11.721 19.783 -9.336 1.00 0.00 C ATOM 289 NZ LYS A 16 11.511 19.172 -10.676 1.00 0.00 N ATOM 0 H LYS A 16 9.542 14.948 -7.537 1.00 0.00 H new ATOM 0 HA LYS A 16 9.892 16.342 -5.893 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.226 18.341 -7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.312 18.723 -6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.231 17.776 -7.496 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.123 17.518 -8.829 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.611 19.949 -8.914 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.639 20.235 -7.524 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.929 20.846 -9.455 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.600 19.336 -8.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.357 19.322 -11.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.340 18.152 -10.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.689 19.615 -11.135 1.00 0.00 H new ATOM 303 N MET A 17 7.389 15.290 -5.026 1.00 0.00 N ATOM 304 CA MET A 17 6.360 14.957 -4.026 1.00 0.00 C ATOM 305 C MET A 17 6.882 13.949 -2.984 1.00 0.00 C ATOM 306 O MET A 17 7.947 13.350 -3.165 1.00 0.00 O ATOM 307 CB MET A 17 5.127 14.375 -4.744 1.00 0.00 C ATOM 308 CG MET A 17 4.493 15.364 -5.728 1.00 0.00 C ATOM 309 SD MET A 17 2.892 14.855 -6.409 1.00 0.00 S ATOM 310 CE MET A 17 3.330 13.256 -7.137 1.00 0.00 C ATOM 0 H MET A 17 7.708 14.465 -5.534 1.00 0.00 H new ATOM 0 HA MET A 17 6.091 15.870 -3.495 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.417 13.471 -5.280 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.385 14.081 -4.002 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.368 16.323 -5.225 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.186 15.526 -6.553 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.471 12.853 -7.674 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.162 13.387 -7.829 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.621 12.564 -6.347 1.00 0.00 H new ATOM 320 N THR A 18 6.081 13.713 -1.935 1.00 0.00 N ATOM 321 CA THR A 18 6.325 12.738 -0.854 1.00 0.00 C ATOM 322 C THR A 18 4.988 12.095 -0.448 1.00 0.00 C ATOM 323 O THR A 18 4.035 12.846 -0.218 1.00 0.00 O ATOM 324 CB THR A 18 6.966 13.431 0.362 1.00 0.00 C ATOM 325 OG1 THR A 18 8.127 14.124 -0.043 1.00 0.00 O ATOM 326 CG2 THR A 18 7.388 12.431 1.441 1.00 0.00 C ATOM 0 H THR A 18 5.204 14.218 -1.808 1.00 0.00 H new ATOM 0 HA THR A 18 7.011 11.970 -1.211 1.00 0.00 H new ATOM 0 HB THR A 18 6.215 14.106 0.772 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.532 14.565 0.733 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.835 12.967 2.279 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.514 11.879 1.788 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.116 11.734 1.026 1.00 0.00 H new ATOM 334 N PRO A 19 4.882 10.752 -0.354 1.00 0.00 N ATOM 335 CA PRO A 19 3.661 10.075 0.078 1.00 0.00 C ATOM 336 C PRO A 19 3.501 10.154 1.604 1.00 0.00 C ATOM 337 O PRO A 19 4.485 10.106 2.345 1.00 0.00 O ATOM 338 CB PRO A 19 3.806 8.634 -0.418 1.00 0.00 C ATOM 339 CG PRO A 19 5.316 8.397 -0.377 1.00 0.00 C ATOM 340 CD PRO A 19 5.908 9.771 -0.690 1.00 0.00 C ATOM 0 HA PRO A 19 2.762 10.539 -0.328 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.271 7.933 0.223 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.407 8.513 -1.425 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.638 8.035 0.600 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.624 7.652 -1.110 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.814 9.944 -0.110 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.184 9.844 -1.742 1.00 0.00 H new ATOM 348 N ALA A 20 2.253 10.262 2.072 1.00 0.00 N ATOM 349 CA ALA A 20 1.898 10.426 3.485 1.00 0.00 C ATOM 350 C ALA A 20 0.885 9.356 3.928 1.00 0.00 C ATOM 351 O ALA A 20 -0.141 9.160 3.279 1.00 0.00 O ATOM 352 CB ALA A 20 1.356 11.848 3.683 1.00 0.00 C ATOM 0 H ALA A 20 1.438 10.237 1.459 1.00 0.00 H new ATOM 0 HA ALA A 20 2.779 10.289 4.111 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.085 11.992 4.729 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.122 12.571 3.404 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.475 11.992 3.057 1.00 0.00 H new ATOM 358 N TYR A 21 1.177 8.674 5.041 1.00 0.00 N ATOM 359 CA TYR A 21 0.464 7.473 5.507 1.00 0.00 C ATOM 360 C TYR A 21 -0.288 7.682 6.840 1.00 0.00 C ATOM 361 O TYR A 21 0.050 8.566 7.634 1.00 0.00 O ATOM 362 CB TYR A 21 1.470 6.315 5.665 1.00 0.00 C ATOM 363 CG TYR A 21 2.157 5.846 4.391 1.00 0.00 C ATOM 364 CD1 TYR A 21 3.240 6.575 3.859 1.00 0.00 C ATOM 365 CD2 TYR A 21 1.740 4.661 3.753 1.00 0.00 C ATOM 366 CE1 TYR A 21 3.868 6.154 2.672 1.00 0.00 C ATOM 367 CE2 TYR A 21 2.376 4.221 2.575 1.00 0.00 C ATOM 368 CZ TYR A 21 3.428 4.983 2.018 1.00 0.00 C ATOM 369 OH TYR A 21 4.027 4.580 0.866 1.00 0.00 O ATOM 0 H TYR A 21 1.938 8.948 5.663 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.290 7.241 4.754 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.238 6.622 6.375 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.949 5.466 6.106 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.590 7.462 4.366 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.927 4.086 4.170 1.00 0.00 H new ATOM 0 HE1 TYR A 21 4.686 6.727 2.262 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.060 3.304 2.099 1.00 0.00 H new ATOM 0 HH TYR A 21 4.965 4.864 0.868 1.00 0.00 H new ATOM 379 N GLU A 22 -1.264 6.814 7.114 1.00 0.00 N ATOM 380 CA GLU A 22 -1.964 6.673 8.399 1.00 0.00 C ATOM 381 C GLU A 22 -2.225 5.182 8.668 1.00 0.00 C ATOM 382 O GLU A 22 -2.474 4.418 7.736 1.00 0.00 O ATOM 383 CB GLU A 22 -3.269 7.493 8.393 1.00 0.00 C ATOM 384 CG GLU A 22 -3.916 7.559 9.787 1.00 0.00 C ATOM 385 CD GLU A 22 -5.191 8.417 9.812 1.00 0.00 C ATOM 386 OE1 GLU A 22 -5.116 9.635 9.524 1.00 0.00 O ATOM 387 OE2 GLU A 22 -6.271 7.880 10.155 1.00 0.00 O ATOM 0 H GLU A 22 -1.607 6.157 6.413 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.344 7.065 9.205 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.060 8.504 8.042 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.972 7.050 7.688 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.157 6.549 10.119 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.196 7.965 10.498 1.00 0.00 H new ATOM 394 N ILE A 23 -2.150 4.753 9.933 1.00 0.00 N ATOM 395 CA ILE A 23 -2.282 3.350 10.374 1.00 0.00 C ATOM 396 C ILE A 23 -3.299 3.263 11.524 1.00 0.00 C ATOM 397 O ILE A 23 -3.366 4.170 12.360 1.00 0.00 O ATOM 398 CB ILE A 23 -0.893 2.783 10.770 1.00 0.00 C ATOM 399 CG1 ILE A 23 0.069 2.831 9.557 1.00 0.00 C ATOM 400 CG2 ILE A 23 -0.998 1.347 11.323 1.00 0.00 C ATOM 401 CD1 ILE A 23 1.456 2.236 9.816 1.00 0.00 C ATOM 0 H ILE A 23 -1.990 5.393 10.711 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.658 2.736 9.555 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.492 3.410 11.567 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.391 2.298 8.725 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.186 3.869 9.245 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.004 0.986 11.589 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.634 1.344 12.208 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.430 0.695 10.563 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.060 2.313 8.912 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.941 2.783 10.624 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.356 1.188 10.097 1.00 0.00 H new ATOM 413 N ARG A 24 -4.084 2.177 11.568 1.00 0.00 N ATOM 414 CA ARG A 24 -5.211 1.993 12.494 1.00 0.00 C ATOM 415 C ARG A 24 -5.330 0.538 12.948 1.00 0.00 C ATOM 416 O ARG A 24 -5.322 -0.382 12.133 1.00 0.00 O ATOM 417 CB ARG A 24 -6.492 2.468 11.795 1.00 0.00 C ATOM 418 CG ARG A 24 -7.622 2.870 12.755 1.00 0.00 C ATOM 419 CD ARG A 24 -8.824 3.461 11.997 1.00 0.00 C ATOM 420 NE ARG A 24 -8.451 4.662 11.217 1.00 0.00 N ATOM 421 CZ ARG A 24 -8.527 4.822 9.898 1.00 0.00 C ATOM 422 NH1 ARG A 24 -9.058 3.936 9.085 1.00 0.00 N ATOM 423 NH2 ARG A 24 -8.053 5.896 9.319 1.00 0.00 N ATOM 0 H ARG A 24 -3.949 1.381 10.944 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.044 2.584 13.395 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.251 3.320 11.159 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.852 1.673 11.141 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.943 1.998 13.325 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.248 3.601 13.473 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.236 2.707 11.327 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.609 3.719 12.707 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.096 5.456 11.750 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.441 3.067 9.458 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.087 4.117 8.082 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.617 6.627 9.880 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.120 6.001 8.307 1.00 0.00 H new ATOM 437 N ALA A 25 -5.430 0.329 14.256 1.00 0.00 N ATOM 438 CA ALA A 25 -5.472 -1.001 14.874 1.00 0.00 C ATOM 439 C ALA A 25 -6.892 -1.601 14.841 1.00 0.00 C ATOM 440 O ALA A 25 -7.869 -0.904 15.123 1.00 0.00 O ATOM 441 CB ALA A 25 -4.926 -0.904 16.304 1.00 0.00 C ATOM 0 H ALA A 25 -5.485 1.090 14.933 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.843 -1.682 14.300 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.953 -1.888 16.771 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.898 -0.544 16.277 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.538 -0.211 16.881 1.00 0.00 H new ATOM 447 N VAL A 26 -6.993 -2.891 14.514 1.00 0.00 N ATOM 448 CA VAL A 26 -8.243 -3.665 14.362 1.00 0.00 C ATOM 449 C VAL A 26 -8.034 -5.125 14.805 1.00 0.00 C ATOM 450 O VAL A 26 -6.923 -5.511 15.169 1.00 0.00 O ATOM 451 CB VAL A 26 -8.803 -3.588 12.915 1.00 0.00 C ATOM 452 CG1 VAL A 26 -9.244 -2.168 12.525 1.00 0.00 C ATOM 453 CG2 VAL A 26 -7.820 -4.126 11.861 1.00 0.00 C ATOM 0 H VAL A 26 -6.166 -3.461 14.337 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.991 -3.213 15.014 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.681 -4.234 12.924 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.627 -2.173 11.504 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.027 -1.831 13.204 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.392 -1.492 12.589 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.268 -4.046 10.871 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.899 -3.543 11.891 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.595 -5.171 12.073 1.00 0.00 H new ATOM 463 N GLY A 27 -9.092 -5.945 14.798 1.00 0.00 N ATOM 464 CA GLY A 27 -9.041 -7.358 15.206 1.00 0.00 C ATOM 465 C GLY A 27 -9.304 -7.550 16.702 1.00 0.00 C ATOM 466 O GLY A 27 -10.101 -6.822 17.297 1.00 0.00 O ATOM 0 H GLY A 27 -10.021 -5.643 14.505 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.778 -7.923 14.636 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.062 -7.769 14.957 1.00 0.00 H new ATOM 470 N ASN A 28 -8.648 -8.549 17.300 1.00 0.00 N ATOM 471 CA ASN A 28 -8.852 -8.979 18.692 1.00 0.00 C ATOM 472 C ASN A 28 -7.595 -8.771 19.559 1.00 0.00 C ATOM 473 O ASN A 28 -6.484 -8.618 19.049 1.00 0.00 O ATOM 474 CB ASN A 28 -9.270 -10.462 18.698 1.00 0.00 C ATOM 475 CG ASN A 28 -10.596 -10.744 17.992 1.00 0.00 C ATOM 476 OD1 ASN A 28 -11.513 -9.931 17.968 1.00 0.00 O ATOM 477 ND2 ASN A 28 -10.740 -11.918 17.402 1.00 0.00 N ATOM 0 H ASN A 28 -7.938 -9.099 16.816 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.638 -8.363 19.129 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -8.486 -11.050 18.222 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.342 -10.803 19.731 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.613 -12.147 16.927 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.978 -12.595 17.421 1.00 0.00 H new ATOM 484 N LYS A 29 -7.747 -8.819 20.888 1.00 0.00 N ATOM 485 CA LYS A 29 -6.641 -8.671 21.853 1.00 0.00 C ATOM 486 C LYS A 29 -5.568 -9.774 21.719 1.00 0.00 C ATOM 487 O LYS A 29 -4.370 -9.495 21.804 1.00 0.00 O ATOM 488 CB LYS A 29 -7.265 -8.643 23.263 1.00 0.00 C ATOM 489 CG LYS A 29 -6.270 -8.455 24.422 1.00 0.00 C ATOM 490 CD LYS A 29 -5.561 -7.093 24.400 1.00 0.00 C ATOM 491 CE LYS A 29 -4.681 -6.945 25.650 1.00 0.00 C ATOM 492 NZ LYS A 29 -3.986 -5.632 25.684 1.00 0.00 N ATOM 0 H LYS A 29 -8.653 -8.964 21.334 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.105 -7.743 21.651 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.998 -7.837 23.301 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.808 -9.575 23.420 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.800 -8.565 25.368 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.522 -9.247 24.381 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.950 -7.005 23.501 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.297 -6.290 24.365 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.297 -7.053 26.543 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.943 -7.747 25.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.402 -5.570 26.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.379 -5.539 24.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.690 -4.867 25.689 1.00 0.00 H new ATOM 506 N ASN A 30 -5.994 -11.015 21.466 1.00 0.00 N ATOM 507 CA ASN A 30 -5.119 -12.183 21.265 1.00 0.00 C ATOM 508 C ASN A 30 -4.508 -12.285 19.850 1.00 0.00 C ATOM 509 O ASN A 30 -3.448 -12.888 19.670 1.00 0.00 O ATOM 510 CB ASN A 30 -5.905 -13.462 21.605 1.00 0.00 C ATOM 511 CG ASN A 30 -7.000 -13.831 20.601 1.00 0.00 C ATOM 512 OD1 ASN A 30 -7.684 -12.981 20.045 1.00 0.00 O ATOM 513 ND2 ASN A 30 -7.189 -15.109 20.326 1.00 0.00 N ATOM 0 H ASN A 30 -6.985 -11.246 21.392 1.00 0.00 H new ATOM 0 HA ASN A 30 -4.269 -12.058 21.935 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.204 -14.293 21.678 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.360 -13.341 22.588 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -7.903 -15.385 19.652 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -6.621 -15.819 20.787 1.00 0.00 H new ATOM 520 N ARG A 31 -5.179 -11.687 18.858 1.00 0.00 N ATOM 521 CA ARG A 31 -4.799 -11.658 17.439 1.00 0.00 C ATOM 522 C ARG A 31 -5.151 -10.293 16.830 1.00 0.00 C ATOM 523 O ARG A 31 -6.248 -10.089 16.300 1.00 0.00 O ATOM 524 CB ARG A 31 -5.449 -12.847 16.706 1.00 0.00 C ATOM 525 CG ARG A 31 -4.949 -12.979 15.256 1.00 0.00 C ATOM 526 CD ARG A 31 -5.508 -14.227 14.560 1.00 0.00 C ATOM 527 NE ARG A 31 -6.966 -14.140 14.352 1.00 0.00 N ATOM 528 CZ ARG A 31 -7.760 -15.122 13.935 1.00 0.00 C ATOM 529 NH1 ARG A 31 -7.296 -16.320 13.647 1.00 0.00 N ATOM 530 NH2 ARG A 31 -9.050 -14.905 13.798 1.00 0.00 N ATOM 0 H ARG A 31 -6.049 -11.183 19.032 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.721 -11.773 17.328 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.234 -13.768 17.248 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.532 -12.723 16.705 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.237 -12.092 14.692 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.860 -13.020 15.252 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.012 -14.358 13.598 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.280 -15.109 15.159 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.407 -13.241 14.547 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.300 -16.517 13.741 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.933 -17.051 13.330 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.438 -13.986 14.011 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.662 -15.656 13.478 1.00 0.00 H new ATOM 544 N GLN A 32 -4.223 -9.347 16.953 1.00 0.00 N ATOM 545 CA GLN A 32 -4.381 -7.962 16.510 1.00 0.00 C ATOM 546 C GLN A 32 -3.887 -7.790 15.062 1.00 0.00 C ATOM 547 O GLN A 32 -2.971 -8.478 14.607 1.00 0.00 O ATOM 548 CB GLN A 32 -3.649 -7.039 17.501 1.00 0.00 C ATOM 549 CG GLN A 32 -3.962 -5.548 17.279 1.00 0.00 C ATOM 550 CD GLN A 32 -3.359 -4.648 18.361 1.00 0.00 C ATOM 551 OE1 GLN A 32 -3.545 -4.841 19.557 1.00 0.00 O ATOM 552 NE2 GLN A 32 -2.618 -3.621 17.992 1.00 0.00 N ATOM 0 H GLN A 32 -3.313 -9.527 17.376 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.436 -7.687 16.503 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.926 -7.315 18.518 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.574 -7.196 17.409 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.581 -5.243 16.305 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.043 -5.408 17.257 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.451 -3.442 17.002 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.212 -3.005 18.697 1.00 0.00 H new ATOM 561 N LYS A 33 -4.503 -6.849 14.346 1.00 0.00 N ATOM 562 CA LYS A 33 -4.252 -6.511 12.942 1.00 0.00 C ATOM 563 C LYS A 33 -4.218 -4.984 12.746 1.00 0.00 C ATOM 564 O LYS A 33 -4.681 -4.219 13.601 1.00 0.00 O ATOM 565 CB LYS A 33 -5.348 -7.164 12.074 1.00 0.00 C ATOM 566 CG LYS A 33 -5.140 -8.679 11.907 1.00 0.00 C ATOM 567 CD LYS A 33 -6.181 -9.331 10.985 1.00 0.00 C ATOM 568 CE LYS A 33 -7.600 -9.265 11.575 1.00 0.00 C ATOM 569 NZ LYS A 33 -8.588 -9.972 10.717 1.00 0.00 N ATOM 0 H LYS A 33 -5.235 -6.267 14.754 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.278 -6.894 12.638 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.323 -6.982 12.527 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.359 -6.691 11.092 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.143 -8.861 11.506 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.181 -9.156 12.886 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.169 -8.833 10.016 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.909 -10.372 10.812 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.601 -9.708 12.571 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.898 -8.223 11.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.532 -9.905 11.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.606 -9.533 9.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.318 -10.972 10.628 1.00 0.00 H new ATOM 583 N PHE A 34 -3.688 -4.537 11.609 1.00 0.00 N ATOM 584 CA PHE A 34 -3.474 -3.131 11.283 1.00 0.00 C ATOM 585 C PHE A 34 -3.952 -2.815 9.865 1.00 0.00 C ATOM 586 O PHE A 34 -3.511 -3.435 8.896 1.00 0.00 O ATOM 587 CB PHE A 34 -1.981 -2.793 11.432 1.00 0.00 C ATOM 588 CG PHE A 34 -1.438 -2.976 12.835 1.00 0.00 C ATOM 589 CD1 PHE A 34 -1.701 -2.009 13.823 1.00 0.00 C ATOM 590 CD2 PHE A 34 -0.675 -4.116 13.157 1.00 0.00 C ATOM 591 CE1 PHE A 34 -1.198 -2.177 15.126 1.00 0.00 C ATOM 592 CE2 PHE A 34 -0.171 -4.282 14.459 1.00 0.00 C ATOM 593 CZ PHE A 34 -0.428 -3.310 15.442 1.00 0.00 C ATOM 0 H PHE A 34 -3.386 -5.166 10.865 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.056 -2.520 11.973 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.408 -3.420 10.749 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.822 -1.759 11.125 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.290 -1.137 13.581 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.477 -4.863 12.403 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.403 -1.435 15.884 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.414 -5.156 14.704 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.034 -3.434 16.440 1.00 0.00 H new ATOM 603 N MET A 35 -4.830 -1.818 9.759 1.00 0.00 N ATOM 604 CA MET A 35 -5.228 -1.178 8.504 1.00 0.00 C ATOM 605 C MET A 35 -4.283 -0.009 8.221 1.00 0.00 C ATOM 606 O MET A 35 -3.718 0.578 9.149 1.00 0.00 O ATOM 607 CB MET A 35 -6.672 -0.656 8.574 1.00 0.00 C ATOM 608 CG MET A 35 -7.677 -1.725 9.010 1.00 0.00 C ATOM 609 SD MET A 35 -9.414 -1.281 8.750 1.00 0.00 S ATOM 610 CE MET A 35 -9.517 -1.521 6.957 1.00 0.00 C ATOM 0 H MET A 35 -5.300 -1.420 10.572 1.00 0.00 H new ATOM 0 HA MET A 35 -5.173 -1.919 7.706 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.716 0.181 9.271 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.961 -0.272 7.596 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.466 -2.646 8.466 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.525 -1.938 10.068 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.948 -0.633 6.495 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.518 -1.691 6.555 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.147 -2.384 6.741 1.00 0.00 H new ATOM 620 N CYS A 36 -4.143 0.370 6.955 1.00 0.00 N ATOM 621 CA CYS A 36 -3.336 1.507 6.530 1.00 0.00 C ATOM 622 C CYS A 36 -3.982 2.247 5.353 1.00 0.00 C ATOM 623 O CYS A 36 -4.643 1.639 4.509 1.00 0.00 O ATOM 624 CB CYS A 36 -1.919 1.003 6.219 1.00 0.00 C ATOM 625 SG CYS A 36 -0.838 2.408 5.838 1.00 0.00 S ATOM 0 H CYS A 36 -4.597 -0.115 6.181 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.274 2.245 7.330 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.525 0.449 7.071 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.945 0.313 5.375 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.248 3.459 6.485 1.00 0.00 H new ATOM 631 N GLU A 37 -3.768 3.558 5.307 1.00 0.00 N ATOM 632 CA GLU A 37 -4.189 4.465 4.245 1.00 0.00 C ATOM 633 C GLU A 37 -2.981 5.299 3.796 1.00 0.00 C ATOM 634 O GLU A 37 -2.155 5.673 4.629 1.00 0.00 O ATOM 635 CB GLU A 37 -5.296 5.403 4.752 1.00 0.00 C ATOM 636 CG GLU A 37 -6.560 4.685 5.254 1.00 0.00 C ATOM 637 CD GLU A 37 -7.624 5.659 5.777 1.00 0.00 C ATOM 638 OE1 GLU A 37 -7.638 6.845 5.367 1.00 0.00 O ATOM 639 OE2 GLU A 37 -8.444 5.241 6.627 1.00 0.00 O ATOM 0 H GLU A 37 -3.268 4.043 6.052 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.577 3.884 3.409 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.895 6.014 5.561 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.575 6.083 3.947 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.983 4.092 4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.287 3.990 6.048 1.00 0.00 H new ATOM 646 N VAL A 38 -2.891 5.627 2.504 1.00 0.00 N ATOM 647 CA VAL A 38 -1.851 6.505 1.931 1.00 0.00 C ATOM 648 C VAL A 38 -2.454 7.534 0.971 1.00 0.00 C ATOM 649 O VAL A 38 -3.395 7.233 0.235 1.00 0.00 O ATOM 650 CB VAL A 38 -0.712 5.698 1.262 1.00 0.00 C ATOM 651 CG1 VAL A 38 -1.148 5.011 -0.036 1.00 0.00 C ATOM 652 CG2 VAL A 38 0.515 6.574 0.949 1.00 0.00 C ATOM 0 H VAL A 38 -3.552 5.285 1.806 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.404 7.053 2.760 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.447 4.937 1.996 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.306 4.461 -0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.964 4.320 0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.485 5.763 -0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.288 5.964 0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.226 7.377 0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.902 7.002 1.874 1.00 0.00 H new ATOM 662 N ARG A 39 -1.900 8.748 0.994 1.00 0.00 N ATOM 663 CA ARG A 39 -2.329 9.921 0.225 1.00 0.00 C ATOM 664 C ARG A 39 -1.112 10.675 -0.340 1.00 0.00 C ATOM 665 O ARG A 39 -0.002 10.572 0.190 1.00 0.00 O ATOM 666 CB ARG A 39 -3.171 10.843 1.133 1.00 0.00 C ATOM 667 CG ARG A 39 -4.529 10.225 1.506 1.00 0.00 C ATOM 668 CD ARG A 39 -5.308 11.114 2.487 1.00 0.00 C ATOM 669 NE ARG A 39 -6.638 10.550 2.791 1.00 0.00 N ATOM 670 CZ ARG A 39 -6.911 9.528 3.597 1.00 0.00 C ATOM 671 NH1 ARG A 39 -5.999 8.890 4.293 1.00 0.00 N ATOM 672 NH2 ARG A 39 -8.138 9.086 3.735 1.00 0.00 N ATOM 0 H ARG A 39 -1.093 8.952 1.584 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.938 9.596 -0.619 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.612 11.059 2.043 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.336 11.794 0.626 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.121 10.074 0.603 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.372 9.243 1.951 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.739 11.224 3.410 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.423 12.111 2.063 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.435 10.993 2.333 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.021 9.172 4.231 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.269 8.112 4.895 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.900 9.527 3.220 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.330 8.301 4.357 1.00 0.00 H new ATOM 686 N VAL A 40 -1.329 11.445 -1.406 1.00 0.00 N ATOM 687 CA VAL A 40 -0.322 12.272 -2.101 1.00 0.00 C ATOM 688 C VAL A 40 -0.981 13.597 -2.501 1.00 0.00 C ATOM 689 O VAL A 40 -2.117 13.602 -2.980 1.00 0.00 O ATOM 690 CB VAL A 40 0.255 11.557 -3.351 1.00 0.00 C ATOM 691 CG1 VAL A 40 1.356 12.393 -4.025 1.00 0.00 C ATOM 692 CG2 VAL A 40 0.855 10.177 -3.022 1.00 0.00 C ATOM 0 H VAL A 40 -2.252 11.518 -1.834 1.00 0.00 H new ATOM 0 HA VAL A 40 0.515 12.449 -1.426 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.594 11.431 -4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.736 11.860 -4.896 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.944 13.353 -4.338 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.169 12.560 -3.319 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.244 9.723 -3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.664 10.295 -2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.082 9.536 -2.598 1.00 0.00 H new ATOM 702 N GLU A 41 -0.288 14.717 -2.277 1.00 0.00 N ATOM 703 CA GLU A 41 -0.795 16.067 -2.547 1.00 0.00 C ATOM 704 C GLU A 41 -1.151 16.257 -4.035 1.00 0.00 C ATOM 705 O GLU A 41 -0.352 15.954 -4.924 1.00 0.00 O ATOM 706 CB GLU A 41 0.239 17.104 -2.075 1.00 0.00 C ATOM 707 CG GLU A 41 -0.293 18.541 -2.148 1.00 0.00 C ATOM 708 CD GLU A 41 0.719 19.537 -1.564 1.00 0.00 C ATOM 709 OE1 GLU A 41 0.667 19.810 -0.341 1.00 0.00 O ATOM 710 OE2 GLU A 41 1.569 20.061 -2.323 1.00 0.00 O ATOM 0 H GLU A 41 0.658 14.712 -1.896 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.720 16.212 -1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.531 16.880 -1.049 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.137 17.021 -2.687 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.506 18.801 -3.185 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.234 18.612 -1.602 1.00 0.00 H new ATOM 717 N GLY A 42 -2.364 16.761 -4.303 1.00 0.00 N ATOM 718 CA GLY A 42 -2.895 16.985 -5.657 1.00 0.00 C ATOM 719 C GLY A 42 -3.744 15.834 -6.213 1.00 0.00 C ATOM 720 O GLY A 42 -4.238 15.948 -7.336 1.00 0.00 O ATOM 0 H GLY A 42 -3.019 17.031 -3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.498 17.893 -5.650 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.060 17.163 -6.335 1.00 0.00 H new ATOM 724 N PHE A 43 -3.947 14.756 -5.443 1.00 0.00 N ATOM 725 CA PHE A 43 -4.765 13.594 -5.813 1.00 0.00 C ATOM 726 C PHE A 43 -5.885 13.373 -4.785 1.00 0.00 C ATOM 727 O PHE A 43 -5.644 13.380 -3.576 1.00 0.00 O ATOM 728 CB PHE A 43 -3.866 12.353 -5.942 1.00 0.00 C ATOM 729 CG PHE A 43 -2.785 12.489 -7.000 1.00 0.00 C ATOM 730 CD1 PHE A 43 -3.049 12.141 -8.339 1.00 0.00 C ATOM 731 CD2 PHE A 43 -1.525 13.012 -6.653 1.00 0.00 C ATOM 732 CE1 PHE A 43 -2.061 12.319 -9.324 1.00 0.00 C ATOM 733 CE2 PHE A 43 -0.543 13.199 -7.639 1.00 0.00 C ATOM 734 CZ PHE A 43 -0.808 12.853 -8.975 1.00 0.00 C ATOM 0 H PHE A 43 -3.533 14.667 -4.515 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.240 13.778 -6.777 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.396 12.154 -4.979 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.487 11.489 -6.178 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.013 11.736 -8.610 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.313 13.270 -5.626 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.265 12.045 -10.349 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.419 13.610 -7.370 1.00 0.00 H new ATOM 0 HZ PHE A 43 -0.051 12.997 -9.732 1.00 0.00 H new ATOM 744 N ASN A 44 -7.116 13.180 -5.269 1.00 0.00 N ATOM 745 CA ASN A 44 -8.316 13.068 -4.425 1.00 0.00 C ATOM 746 C ASN A 44 -8.551 11.651 -3.859 1.00 0.00 C ATOM 747 O ASN A 44 -9.335 11.479 -2.924 1.00 0.00 O ATOM 748 CB ASN A 44 -9.540 13.543 -5.226 1.00 0.00 C ATOM 749 CG ASN A 44 -9.452 15.014 -5.632 1.00 0.00 C ATOM 750 OD1 ASN A 44 -9.149 15.890 -4.830 1.00 0.00 O ATOM 751 ND2 ASN A 44 -9.714 15.332 -6.889 1.00 0.00 N ATOM 0 H ASN A 44 -7.312 13.096 -6.266 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.158 13.705 -3.555 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.642 12.930 -6.121 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.440 13.389 -4.630 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.664 16.305 -7.190 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.966 14.604 -7.557 1.00 0.00 H new ATOM 758 N TYR A 45 -7.872 10.634 -4.402 1.00 0.00 N ATOM 759 CA TYR A 45 -7.938 9.244 -3.937 1.00 0.00 C ATOM 760 C TYR A 45 -7.027 8.980 -2.722 1.00 0.00 C ATOM 761 O TYR A 45 -6.017 9.661 -2.520 1.00 0.00 O ATOM 762 CB TYR A 45 -7.579 8.319 -5.108 1.00 0.00 C ATOM 763 CG TYR A 45 -7.814 6.841 -4.846 1.00 0.00 C ATOM 764 CD1 TYR A 45 -9.126 6.330 -4.874 1.00 0.00 C ATOM 765 CD2 TYR A 45 -6.735 5.981 -4.560 1.00 0.00 C ATOM 766 CE1 TYR A 45 -9.363 4.971 -4.603 1.00 0.00 C ATOM 767 CE2 TYR A 45 -6.966 4.617 -4.287 1.00 0.00 C ATOM 768 CZ TYR A 45 -8.286 4.112 -4.292 1.00 0.00 C ATOM 769 OH TYR A 45 -8.534 2.802 -4.011 1.00 0.00 O ATOM 0 H TYR A 45 -7.245 10.758 -5.197 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.953 9.042 -3.597 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.162 8.616 -5.980 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.529 8.467 -5.361 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.953 6.985 -5.105 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.727 6.368 -4.550 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.371 4.583 -4.633 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.136 3.960 -4.075 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.784 2.429 -3.502 1.00 0.00 H new ATOM 779 N ALA A 46 -7.366 7.954 -1.937 1.00 0.00 N ATOM 780 CA ALA A 46 -6.532 7.409 -0.870 1.00 0.00 C ATOM 781 C ALA A 46 -6.423 5.886 -1.039 1.00 0.00 C ATOM 782 O ALA A 46 -7.439 5.188 -1.020 1.00 0.00 O ATOM 783 CB ALA A 46 -7.142 7.804 0.481 1.00 0.00 C ATOM 0 H ALA A 46 -8.257 7.467 -2.032 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.521 7.815 -0.915 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.529 7.403 1.288 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.180 8.891 0.559 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.151 7.399 0.557 1.00 0.00 H new ATOM 789 N GLY A 47 -5.197 5.378 -1.209 1.00 0.00 N ATOM 790 CA GLY A 47 -4.923 3.943 -1.336 1.00 0.00 C ATOM 791 C GLY A 47 -4.967 3.273 0.027 1.00 0.00 C ATOM 792 O GLY A 47 -4.508 3.866 1.006 1.00 0.00 O ATOM 0 H GLY A 47 -4.359 5.958 -1.263 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.657 3.483 -1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.944 3.792 -1.791 1.00 0.00 H new ATOM 796 N MET A 48 -5.521 2.061 0.107 1.00 0.00 N ATOM 797 CA MET A 48 -5.825 1.393 1.381 1.00 0.00 C ATOM 798 C MET A 48 -5.407 -0.082 1.405 1.00 0.00 C ATOM 799 O MET A 48 -5.520 -0.794 0.404 1.00 0.00 O ATOM 800 CB MET A 48 -7.319 1.534 1.716 1.00 0.00 C ATOM 801 CG MET A 48 -7.770 2.998 1.753 1.00 0.00 C ATOM 802 SD MET A 48 -9.383 3.274 2.522 1.00 0.00 S ATOM 803 CE MET A 48 -9.463 5.072 2.325 1.00 0.00 C ATOM 0 H MET A 48 -5.774 1.510 -0.713 1.00 0.00 H new ATOM 0 HA MET A 48 -5.231 1.895 2.145 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.908 0.993 0.975 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.518 1.070 2.682 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.022 3.581 2.291 1.00 0.00 H new ATOM 0 HG3 MET A 48 -7.799 3.381 0.733 1.00 0.00 H new ATOM 0 HE1 MET A 48 -10.399 5.443 2.743 1.00 0.00 H new ATOM 0 HE2 MET A 48 -8.624 5.533 2.847 1.00 0.00 H new ATOM 0 HE3 MET A 48 -9.414 5.325 1.266 1.00 0.00 H new ATOM 813 N GLY A 49 -4.917 -0.528 2.565 1.00 0.00 N ATOM 814 CA GLY A 49 -4.444 -1.892 2.829 1.00 0.00 C ATOM 815 C GLY A 49 -4.706 -2.357 4.259 1.00 0.00 C ATOM 816 O GLY A 49 -5.108 -1.572 5.117 1.00 0.00 O ATOM 0 H GLY A 49 -4.835 0.077 3.382 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.931 -2.578 2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.374 -1.943 2.628 1.00 0.00 H new ATOM 820 N ASN A 50 -4.452 -3.640 4.525 1.00 0.00 N ATOM 821 CA ASN A 50 -4.563 -4.257 5.850 1.00 0.00 C ATOM 822 C ASN A 50 -3.723 -5.539 5.943 1.00 0.00 C ATOM 823 O ASN A 50 -3.544 -6.252 4.955 1.00 0.00 O ATOM 824 CB ASN A 50 -6.044 -4.510 6.182 1.00 0.00 C ATOM 825 CG ASN A 50 -6.266 -5.408 7.395 1.00 0.00 C ATOM 826 OD1 ASN A 50 -6.175 -4.986 8.538 1.00 0.00 O ATOM 827 ND2 ASN A 50 -6.541 -6.680 7.172 1.00 0.00 N ATOM 0 H ASN A 50 -4.155 -4.298 3.804 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.160 -3.571 6.595 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.535 -3.553 6.358 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.527 -4.962 5.316 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.679 -7.317 7.957 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.616 -7.026 6.215 1.00 0.00 H new ATOM 834 N SER A 51 -3.233 -5.838 7.144 1.00 0.00 N ATOM 835 CA SER A 51 -2.395 -7.011 7.441 1.00 0.00 C ATOM 836 C SER A 51 -2.234 -7.260 8.956 1.00 0.00 C ATOM 837 O SER A 51 -2.746 -6.501 9.782 1.00 0.00 O ATOM 838 CB SER A 51 -1.020 -6.852 6.766 1.00 0.00 C ATOM 839 OG SER A 51 -0.344 -8.095 6.717 1.00 0.00 O ATOM 0 H SER A 51 -3.409 -5.258 7.965 1.00 0.00 H new ATOM 0 HA SER A 51 -2.902 -7.887 7.036 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.147 -6.461 5.757 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.420 -6.127 7.316 1.00 0.00 H new ATOM 0 HG SER A 51 0.110 -8.186 5.854 1.00 0.00 H new ATOM 845 N THR A 52 -1.490 -8.309 9.330 1.00 0.00 N ATOM 846 CA THR A 52 -1.046 -8.608 10.705 1.00 0.00 C ATOM 847 C THR A 52 0.150 -7.760 11.145 1.00 0.00 C ATOM 848 O THR A 52 0.496 -7.767 12.325 1.00 0.00 O ATOM 849 CB THR A 52 -0.705 -10.098 10.840 1.00 0.00 C ATOM 850 OG1 THR A 52 0.178 -10.468 9.799 1.00 0.00 O ATOM 851 CG2 THR A 52 -1.955 -10.976 10.758 1.00 0.00 C ATOM 0 H THR A 52 -1.165 -9.004 8.657 1.00 0.00 H new ATOM 0 HA THR A 52 -1.877 -8.354 11.363 1.00 0.00 H new ATOM 0 HB THR A 52 -0.243 -10.249 11.816 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.401 -11.419 9.881 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.671 -12.024 10.858 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.641 -10.708 11.561 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.445 -10.823 9.796 1.00 0.00 H new ATOM 859 N ASN A 53 0.762 -7.006 10.225 1.00 0.00 N ATOM 860 CA ASN A 53 1.937 -6.160 10.457 1.00 0.00 C ATOM 861 C ASN A 53 1.799 -4.804 9.749 1.00 0.00 C ATOM 862 O ASN A 53 1.310 -4.713 8.621 1.00 0.00 O ATOM 863 CB ASN A 53 3.205 -6.876 9.964 1.00 0.00 C ATOM 864 CG ASN A 53 3.545 -8.120 10.778 1.00 0.00 C ATOM 865 OD1 ASN A 53 4.204 -8.049 11.809 1.00 0.00 O ATOM 866 ND2 ASN A 53 3.128 -9.292 10.333 1.00 0.00 N ATOM 0 H ASN A 53 0.438 -6.967 9.259 1.00 0.00 H new ATOM 0 HA ASN A 53 2.013 -5.978 11.529 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.073 -7.158 8.919 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.045 -6.183 10.003 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.354 -10.143 10.848 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.580 -9.346 9.475 1.00 0.00 H new ATOM 873 N LYS A 54 2.283 -3.743 10.399 1.00 0.00 N ATOM 874 CA LYS A 54 2.171 -2.354 9.925 1.00 0.00 C ATOM 875 C LYS A 54 2.848 -2.121 8.562 1.00 0.00 C ATOM 876 O LYS A 54 2.264 -1.496 7.678 1.00 0.00 O ATOM 877 CB LYS A 54 2.753 -1.422 11.003 1.00 0.00 C ATOM 878 CG LYS A 54 1.892 -1.395 12.276 1.00 0.00 C ATOM 879 CD LYS A 54 2.428 -0.362 13.275 1.00 0.00 C ATOM 880 CE LYS A 54 1.539 -0.331 14.524 1.00 0.00 C ATOM 881 NZ LYS A 54 2.045 0.630 15.539 1.00 0.00 N ATOM 0 H LYS A 54 2.775 -3.823 11.289 1.00 0.00 H new ATOM 0 HA LYS A 54 1.116 -2.133 9.763 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.762 -1.748 11.256 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.836 -0.412 10.601 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.860 -1.156 12.018 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.885 -2.383 12.736 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.452 -0.610 13.553 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.454 0.625 12.812 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.523 -0.058 14.240 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.491 -1.329 14.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.417 0.622 16.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.005 0.355 15.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.067 1.586 15.131 1.00 0.00 H new ATOM 895 N LYS A 55 4.041 -2.685 8.351 1.00 0.00 N ATOM 896 CA LYS A 55 4.798 -2.537 7.096 1.00 0.00 C ATOM 897 C LYS A 55 4.121 -3.218 5.896 1.00 0.00 C ATOM 898 O LYS A 55 4.100 -2.665 4.795 1.00 0.00 O ATOM 899 CB LYS A 55 6.221 -3.080 7.298 1.00 0.00 C ATOM 900 CG LYS A 55 7.062 -2.169 8.206 1.00 0.00 C ATOM 901 CD LYS A 55 8.475 -2.741 8.404 1.00 0.00 C ATOM 902 CE LYS A 55 9.379 -1.808 9.227 1.00 0.00 C ATOM 903 NZ LYS A 55 8.939 -1.678 10.643 1.00 0.00 N ATOM 0 H LYS A 55 4.515 -3.261 9.047 1.00 0.00 H new ATOM 0 HA LYS A 55 4.831 -1.474 6.856 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.170 -4.078 7.733 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.712 -3.179 6.330 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.127 -1.173 7.768 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.571 -2.060 9.173 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.405 -3.707 8.903 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.932 -2.918 7.430 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.401 -2.186 9.202 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.393 -0.821 8.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.584 -1.038 11.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.974 -1.291 10.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.951 -2.613 11.098 1.00 0.00 H new ATOM 917 N ASP A 56 3.502 -4.382 6.103 1.00 0.00 N ATOM 918 CA ASP A 56 2.759 -5.087 5.051 1.00 0.00 C ATOM 919 C ASP A 56 1.396 -4.429 4.774 1.00 0.00 C ATOM 920 O ASP A 56 0.938 -4.410 3.633 1.00 0.00 O ATOM 921 CB ASP A 56 2.621 -6.562 5.438 1.00 0.00 C ATOM 922 CG ASP A 56 2.097 -7.415 4.271 1.00 0.00 C ATOM 923 OD1 ASP A 56 2.839 -7.594 3.278 1.00 0.00 O ATOM 924 OD2 ASP A 56 0.955 -7.921 4.372 1.00 0.00 O ATOM 0 H ASP A 56 3.500 -4.864 7.002 1.00 0.00 H new ATOM 0 HA ASP A 56 3.316 -5.021 4.116 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.589 -6.945 5.761 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.943 -6.653 6.287 1.00 0.00 H new ATOM 929 N ALA A 57 0.789 -3.797 5.786 1.00 0.00 N ATOM 930 CA ALA A 57 -0.410 -2.971 5.611 1.00 0.00 C ATOM 931 C ALA A 57 -0.105 -1.704 4.791 1.00 0.00 C ATOM 932 O ALA A 57 -0.837 -1.390 3.851 1.00 0.00 O ATOM 933 CB ALA A 57 -0.999 -2.648 6.992 1.00 0.00 C ATOM 0 H ALA A 57 1.117 -3.845 6.751 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.154 -3.524 5.039 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.891 -2.034 6.872 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.262 -3.575 7.501 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.262 -2.106 7.584 1.00 0.00 H new ATOM 939 N GLN A 58 1.008 -1.025 5.094 1.00 0.00 N ATOM 940 CA GLN A 58 1.531 0.099 4.306 1.00 0.00 C ATOM 941 C GLN A 58 1.869 -0.314 2.870 1.00 0.00 C ATOM 942 O GLN A 58 1.597 0.441 1.942 1.00 0.00 O ATOM 943 CB GLN A 58 2.797 0.665 4.968 1.00 0.00 C ATOM 944 CG GLN A 58 2.549 1.512 6.223 1.00 0.00 C ATOM 945 CD GLN A 58 3.864 1.950 6.873 1.00 0.00 C ATOM 946 OE1 GLN A 58 4.729 1.150 7.203 1.00 0.00 O ATOM 947 NE2 GLN A 58 4.086 3.236 7.056 1.00 0.00 N ATOM 0 H GLN A 58 1.581 -1.245 5.909 1.00 0.00 H new ATOM 0 HA GLN A 58 0.748 0.857 4.272 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.453 -0.165 5.232 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.330 1.273 4.237 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.962 2.392 5.959 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.961 0.939 6.940 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.378 3.919 6.788 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.966 3.548 7.466 1.00 0.00 H new ATOM 956 N SER A 59 2.428 -1.506 2.659 1.00 0.00 N ATOM 957 CA SER A 59 2.742 -2.009 1.313 1.00 0.00 C ATOM 958 C SER A 59 1.480 -2.291 0.484 1.00 0.00 C ATOM 959 O SER A 59 1.461 -2.024 -0.719 1.00 0.00 O ATOM 960 CB SER A 59 3.611 -3.269 1.399 1.00 0.00 C ATOM 961 OG SER A 59 4.853 -2.987 2.029 1.00 0.00 O ATOM 0 H SER A 59 2.677 -2.150 3.410 1.00 0.00 H new ATOM 0 HA SER A 59 3.297 -1.223 0.802 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.083 -4.042 1.957 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.788 -3.663 0.398 1.00 0.00 H new ATOM 0 HG SER A 59 4.710 -2.856 2.990 1.00 0.00 H new ATOM 967 N ASN A 60 0.394 -2.749 1.116 1.00 0.00 N ATOM 968 CA ASN A 60 -0.905 -2.905 0.454 1.00 0.00 C ATOM 969 C ASN A 60 -1.565 -1.542 0.164 1.00 0.00 C ATOM 970 O ASN A 60 -2.120 -1.354 -0.921 1.00 0.00 O ATOM 971 CB ASN A 60 -1.818 -3.816 1.288 1.00 0.00 C ATOM 972 CG ASN A 60 -1.529 -5.295 1.051 1.00 0.00 C ATOM 973 OD1 ASN A 60 -1.989 -5.885 0.081 1.00 0.00 O ATOM 974 ND2 ASN A 60 -0.781 -5.940 1.927 1.00 0.00 N ATOM 0 H ASN A 60 0.391 -3.021 2.099 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.741 -3.381 -0.513 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.688 -3.587 2.346 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.859 -3.607 1.042 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.585 -6.932 1.797 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.399 -5.446 2.734 1.00 0.00 H new ATOM 981 N ALA A 61 -1.449 -0.566 1.076 1.00 0.00 N ATOM 982 CA ALA A 61 -1.922 0.804 0.852 1.00 0.00 C ATOM 983 C ALA A 61 -1.177 1.478 -0.312 1.00 0.00 C ATOM 984 O ALA A 61 -1.811 2.039 -1.206 1.00 0.00 O ATOM 985 CB ALA A 61 -1.783 1.596 2.159 1.00 0.00 C ATOM 0 H ALA A 61 -1.023 -0.707 1.992 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.973 0.780 0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.132 2.617 2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.381 1.122 2.937 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.737 1.612 2.465 1.00 0.00 H new ATOM 991 N ALA A 62 0.153 1.347 -0.348 1.00 0.00 N ATOM 992 CA ALA A 62 0.998 1.818 -1.442 1.00 0.00 C ATOM 993 C ALA A 62 0.624 1.148 -2.772 1.00 0.00 C ATOM 994 O ALA A 62 0.394 1.848 -3.761 1.00 0.00 O ATOM 995 CB ALA A 62 2.463 1.575 -1.063 1.00 0.00 C ATOM 0 H ALA A 62 0.681 0.900 0.402 1.00 0.00 H new ATOM 0 HA ALA A 62 0.842 2.886 -1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.110 1.921 -1.869 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.698 2.121 -0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.625 0.509 -0.900 1.00 0.00 H new ATOM 1001 N ARG A 63 0.479 -0.185 -2.790 1.00 0.00 N ATOM 1002 CA ARG A 63 0.069 -0.920 -3.988 1.00 0.00 C ATOM 1003 C ARG A 63 -1.288 -0.450 -4.519 1.00 0.00 C ATOM 1004 O ARG A 63 -1.428 -0.298 -5.727 1.00 0.00 O ATOM 1005 CB ARG A 63 0.068 -2.439 -3.719 1.00 0.00 C ATOM 1006 CG ARG A 63 -0.257 -3.286 -4.965 1.00 0.00 C ATOM 1007 CD ARG A 63 0.754 -3.154 -6.120 1.00 0.00 C ATOM 1008 NE ARG A 63 0.088 -3.315 -7.422 1.00 0.00 N ATOM 1009 CZ ARG A 63 0.369 -4.163 -8.402 1.00 0.00 C ATOM 1010 NH1 ARG A 63 1.376 -5.008 -8.353 1.00 0.00 N ATOM 1011 NH2 ARG A 63 -0.391 -4.144 -9.473 1.00 0.00 N ATOM 0 H ARG A 63 0.643 -0.779 -1.977 1.00 0.00 H new ATOM 0 HA ARG A 63 0.801 -0.708 -4.767 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.045 -2.732 -3.335 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.660 -2.661 -2.939 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.314 -4.334 -4.670 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.244 -3.004 -5.331 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.240 -2.179 -6.074 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.536 -3.906 -6.012 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.698 -2.688 -7.595 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.983 -5.031 -7.534 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.550 -5.640 -9.134 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.171 -3.490 -9.533 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.201 -4.784 -10.244 1.00 0.00 H new ATOM 1025 N ASP A 64 -2.257 -0.153 -3.654 1.00 0.00 N ATOM 1026 CA ASP A 64 -3.577 0.333 -4.074 1.00 0.00 C ATOM 1027 C ASP A 64 -3.557 1.792 -4.571 1.00 0.00 C ATOM 1028 O ASP A 64 -4.320 2.137 -5.475 1.00 0.00 O ATOM 1029 CB ASP A 64 -4.582 0.131 -2.936 1.00 0.00 C ATOM 1030 CG ASP A 64 -6.009 0.525 -3.347 1.00 0.00 C ATOM 1031 OD1 ASP A 64 -6.494 0.062 -4.409 1.00 0.00 O ATOM 1032 OD2 ASP A 64 -6.634 1.306 -2.595 1.00 0.00 O ATOM 0 H ASP A 64 -2.153 -0.241 -2.643 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.889 -0.257 -4.936 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.571 -0.913 -2.624 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.277 0.724 -2.074 1.00 0.00 H new ATOM 1037 N PHE A 65 -2.646 2.636 -4.064 1.00 0.00 N ATOM 1038 CA PHE A 65 -2.435 3.973 -4.625 1.00 0.00 C ATOM 1039 C PHE A 65 -1.679 3.920 -5.960 1.00 0.00 C ATOM 1040 O PHE A 65 -2.050 4.620 -6.897 1.00 0.00 O ATOM 1041 CB PHE A 65 -1.736 4.893 -3.618 1.00 0.00 C ATOM 1042 CG PHE A 65 -1.797 6.351 -4.036 1.00 0.00 C ATOM 1043 CD1 PHE A 65 -2.925 7.131 -3.714 1.00 0.00 C ATOM 1044 CD2 PHE A 65 -0.764 6.913 -4.811 1.00 0.00 C ATOM 1045 CE1 PHE A 65 -3.023 8.458 -4.166 1.00 0.00 C ATOM 1046 CE2 PHE A 65 -0.861 8.242 -5.258 1.00 0.00 C ATOM 1047 CZ PHE A 65 -1.993 9.013 -4.944 1.00 0.00 C ATOM 0 H PHE A 65 -2.047 2.415 -3.269 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.418 4.397 -4.833 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.201 4.778 -2.639 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.694 4.590 -3.514 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.719 6.707 -3.117 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.104 6.322 -5.062 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.890 9.051 -3.915 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.063 8.672 -5.845 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.071 10.030 -5.300 1.00 0.00 H new ATOM 1057 N VAL A 66 -0.674 3.050 -6.094 1.00 0.00 N ATOM 1058 CA VAL A 66 0.010 2.809 -7.381 1.00 0.00 C ATOM 1059 C VAL A 66 -0.966 2.244 -8.417 1.00 0.00 C ATOM 1060 O VAL A 66 -0.981 2.698 -9.559 1.00 0.00 O ATOM 1061 CB VAL A 66 1.231 1.882 -7.215 1.00 0.00 C ATOM 1062 CG1 VAL A 66 1.846 1.480 -8.563 1.00 0.00 C ATOM 1063 CG2 VAL A 66 2.311 2.593 -6.392 1.00 0.00 C ATOM 0 H VAL A 66 -0.308 2.493 -5.322 1.00 0.00 H new ATOM 0 HA VAL A 66 0.377 3.770 -7.741 1.00 0.00 H new ATOM 0 HB VAL A 66 0.880 0.981 -6.712 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.702 0.827 -8.392 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.102 0.953 -9.160 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.171 2.374 -9.095 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.172 1.935 -6.277 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.617 3.505 -6.904 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.913 2.845 -5.409 1.00 0.00 H new ATOM 1073 N ASN A 67 -1.843 1.327 -8.002 1.00 0.00 N ATOM 1074 CA ASN A 67 -2.960 0.856 -8.829 1.00 0.00 C ATOM 1075 C ASN A 67 -3.841 2.034 -9.276 1.00 0.00 C ATOM 1076 O ASN A 67 -4.022 2.216 -10.477 1.00 0.00 O ATOM 1077 CB ASN A 67 -3.794 -0.217 -8.109 1.00 0.00 C ATOM 1078 CG ASN A 67 -3.109 -1.575 -7.961 1.00 0.00 C ATOM 1079 OD1 ASN A 67 -2.145 -1.909 -8.641 1.00 0.00 O ATOM 1080 ND2 ASN A 67 -3.610 -2.418 -7.077 1.00 0.00 N ATOM 0 H ASN A 67 -1.800 0.889 -7.082 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.535 0.389 -9.718 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.055 0.152 -7.117 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.728 -0.355 -8.653 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.195 -3.343 -6.962 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.412 -2.145 -6.509 1.00 0.00 H new ATOM 1087 N TYR A 68 -4.290 2.917 -8.374 1.00 0.00 N ATOM 1088 CA TYR A 68 -4.994 4.160 -8.737 1.00 0.00 C ATOM 1089 C TYR A 68 -4.240 5.021 -9.766 1.00 0.00 C ATOM 1090 O TYR A 68 -4.846 5.473 -10.738 1.00 0.00 O ATOM 1091 CB TYR A 68 -5.333 4.959 -7.471 1.00 0.00 C ATOM 1092 CG TYR A 68 -5.609 6.434 -7.706 1.00 0.00 C ATOM 1093 CD1 TYR A 68 -6.836 6.847 -8.262 1.00 0.00 C ATOM 1094 CD2 TYR A 68 -4.619 7.388 -7.399 1.00 0.00 C ATOM 1095 CE1 TYR A 68 -7.084 8.215 -8.486 1.00 0.00 C ATOM 1096 CE2 TYR A 68 -4.861 8.755 -7.622 1.00 0.00 C ATOM 1097 CZ TYR A 68 -6.103 9.176 -8.150 1.00 0.00 C ATOM 1098 OH TYR A 68 -6.361 10.506 -8.308 1.00 0.00 O ATOM 0 H TYR A 68 -4.176 2.791 -7.368 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.918 3.867 -9.235 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.207 4.511 -6.998 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.506 4.866 -6.767 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.587 6.114 -8.517 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.671 7.068 -6.991 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.024 8.530 -8.915 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.098 9.483 -7.390 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.136 10.983 -7.482 1.00 0.00 H new ATOM 1108 N LEU A 69 -2.917 5.162 -9.645 1.00 0.00 N ATOM 1109 CA LEU A 69 -2.097 5.871 -10.638 1.00 0.00 C ATOM 1110 C LEU A 69 -2.082 5.188 -12.020 1.00 0.00 C ATOM 1111 O LEU A 69 -1.871 5.873 -13.018 1.00 0.00 O ATOM 1112 CB LEU A 69 -0.677 6.094 -10.101 1.00 0.00 C ATOM 1113 CG LEU A 69 -0.554 6.983 -8.845 1.00 0.00 C ATOM 1114 CD1 LEU A 69 0.890 6.899 -8.337 1.00 0.00 C ATOM 1115 CD2 LEU A 69 -0.950 8.439 -9.133 1.00 0.00 C ATOM 0 H LEU A 69 -2.383 4.790 -8.859 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.567 6.842 -10.798 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.239 5.121 -9.876 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.076 6.538 -10.895 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.243 6.622 -8.082 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.000 7.521 -7.448 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.129 5.865 -8.088 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.570 7.252 -9.113 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.849 9.030 -8.223 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.298 8.847 -9.905 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.984 8.474 -9.476 1.00 0.00 H new ATOM 1127 N VAL A 70 -2.369 3.886 -12.114 1.00 0.00 N ATOM 1128 CA VAL A 70 -2.623 3.183 -13.391 1.00 0.00 C ATOM 1129 C VAL A 70 -4.067 3.420 -13.865 1.00 0.00 C ATOM 1130 O VAL A 70 -4.280 3.651 -15.055 1.00 0.00 O ATOM 1131 CB VAL A 70 -2.325 1.662 -13.312 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -2.552 0.952 -14.657 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -0.881 1.377 -12.867 1.00 0.00 C ATOM 0 H VAL A 70 -2.434 3.276 -11.299 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.931 3.605 -14.120 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.024 1.274 -12.571 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.330 -0.110 -14.550 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.591 1.077 -14.963 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.896 1.385 -15.412 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.719 0.300 -12.826 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.186 1.822 -13.579 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.713 1.807 -11.880 1.00 0.00 H new ATOM 1143 N ARG A 71 -5.048 3.455 -12.946 1.00 0.00 N ATOM 1144 CA ARG A 71 -6.458 3.779 -13.254 1.00 0.00 C ATOM 1145 C ARG A 71 -6.616 5.185 -13.869 1.00 0.00 C ATOM 1146 O ARG A 71 -7.510 5.394 -14.691 1.00 0.00 O ATOM 1147 CB ARG A 71 -7.367 3.655 -12.008 1.00 0.00 C ATOM 1148 CG ARG A 71 -7.377 2.268 -11.337 1.00 0.00 C ATOM 1149 CD ARG A 71 -8.181 2.269 -10.023 1.00 0.00 C ATOM 1150 NE ARG A 71 -7.790 1.144 -9.145 1.00 0.00 N ATOM 1151 CZ ARG A 71 -7.631 1.166 -7.821 1.00 0.00 C ATOM 1152 NH1 ARG A 71 -7.879 2.234 -7.093 1.00 0.00 N ATOM 1153 NH2 ARG A 71 -7.215 0.093 -7.186 1.00 0.00 N ATOM 0 H ARG A 71 -4.886 3.258 -11.958 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.775 3.043 -13.993 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.050 4.394 -11.272 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.387 3.909 -12.296 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.804 1.536 -12.023 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.352 1.955 -11.135 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.023 3.212 -9.500 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.246 2.204 -10.247 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.623 0.249 -9.605 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.207 3.091 -7.539 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.743 2.205 -6.082 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.012 -0.761 -7.706 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.095 0.114 -6.173 1.00 0.00 H new ATOM 1167 N ILE A 72 -5.729 6.132 -13.526 1.00 0.00 N ATOM 1168 CA ILE A 72 -5.675 7.498 -14.103 1.00 0.00 C ATOM 1169 C ILE A 72 -4.526 7.718 -15.112 1.00 0.00 C ATOM 1170 O ILE A 72 -4.333 8.838 -15.581 1.00 0.00 O ATOM 1171 CB ILE A 72 -5.700 8.584 -12.997 1.00 0.00 C ATOM 1172 CG1 ILE A 72 -4.413 8.619 -12.141 1.00 0.00 C ATOM 1173 CG2 ILE A 72 -6.950 8.416 -12.111 1.00 0.00 C ATOM 1174 CD1 ILE A 72 -4.215 9.949 -11.408 1.00 0.00 C ATOM 0 H ILE A 72 -5.008 5.972 -12.822 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.585 7.600 -14.694 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.746 9.547 -13.505 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.447 7.810 -11.411 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.552 8.433 -12.783 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.955 9.185 -11.339 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.846 8.512 -12.724 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.934 7.432 -11.643 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.295 9.910 -10.825 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.150 10.759 -12.135 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.059 10.126 -10.742 1.00 0.00 H new ATOM 1186 N ASN A 73 -3.764 6.672 -15.451 1.00 0.00 N ATOM 1187 CA ASN A 73 -2.718 6.643 -16.493 1.00 0.00 C ATOM 1188 C ASN A 73 -1.441 7.463 -16.169 1.00 0.00 C ATOM 1189 O ASN A 73 -0.627 7.727 -17.056 1.00 0.00 O ATOM 1190 CB ASN A 73 -3.309 6.992 -17.877 1.00 0.00 C ATOM 1191 CG ASN A 73 -4.527 6.144 -18.232 1.00 0.00 C ATOM 1192 OD1 ASN A 73 -4.431 4.940 -18.444 1.00 0.00 O ATOM 1193 ND2 ASN A 73 -5.703 6.743 -18.312 1.00 0.00 N ATOM 0 H ASN A 73 -3.862 5.771 -14.983 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.361 5.613 -16.518 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.589 8.045 -17.892 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.542 6.855 -18.639 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.535 6.203 -18.551 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.778 7.745 -18.135 1.00 0.00 H new ATOM 1200 N GLU A 74 -1.233 7.837 -14.901 1.00 0.00 N ATOM 1201 CA GLU A 74 -0.026 8.518 -14.400 1.00 0.00 C ATOM 1202 C GLU A 74 1.129 7.548 -14.058 1.00 0.00 C ATOM 1203 O GLU A 74 2.258 7.987 -13.826 1.00 0.00 O ATOM 1204 CB GLU A 74 -0.393 9.388 -13.184 1.00 0.00 C ATOM 1205 CG GLU A 74 -1.269 10.600 -13.536 1.00 0.00 C ATOM 1206 CD GLU A 74 -0.553 11.587 -14.472 1.00 0.00 C ATOM 1207 OE1 GLU A 74 0.495 12.146 -14.069 1.00 0.00 O ATOM 1208 OE2 GLU A 74 -1.032 11.816 -15.607 1.00 0.00 O ATOM 0 H GLU A 74 -1.922 7.670 -14.168 1.00 0.00 H new ATOM 0 HA GLU A 74 0.348 9.148 -15.207 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.916 8.772 -12.452 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.523 9.738 -12.709 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.188 10.255 -14.010 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.557 11.116 -12.620 1.00 0.00 H new ATOM 1215 N VAL A 75 0.867 6.236 -14.068 1.00 0.00 N ATOM 1216 CA VAL A 75 1.851 5.137 -13.998 1.00 0.00 C ATOM 1217 C VAL A 75 1.459 4.074 -15.033 1.00 0.00 C ATOM 1218 O VAL A 75 0.274 3.799 -15.217 1.00 0.00 O ATOM 1219 CB VAL A 75 1.910 4.505 -12.582 1.00 0.00 C ATOM 1220 CG1 VAL A 75 2.877 3.314 -12.507 1.00 0.00 C ATOM 1221 CG2 VAL A 75 2.432 5.483 -11.526 1.00 0.00 C ATOM 0 H VAL A 75 -0.090 5.888 -14.128 1.00 0.00 H new ATOM 0 HA VAL A 75 2.842 5.536 -14.212 1.00 0.00 H new ATOM 0 HB VAL A 75 0.880 4.206 -12.390 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.879 2.910 -11.495 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.557 2.541 -13.205 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.882 3.645 -12.768 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.453 4.991 -10.554 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.439 5.803 -11.793 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.776 6.352 -11.479 1.00 0.00 H new ATOM 1231 N LYS A 76 2.445 3.466 -15.704 1.00 0.00 N ATOM 1232 CA LYS A 76 2.238 2.287 -16.559 1.00 0.00 C ATOM 1233 C LYS A 76 2.397 1.000 -15.736 1.00 0.00 C ATOM 1234 O LYS A 76 3.407 0.818 -15.052 1.00 0.00 O ATOM 1235 CB LYS A 76 3.232 2.299 -17.737 1.00 0.00 C ATOM 1236 CG LYS A 76 3.054 3.522 -18.652 1.00 0.00 C ATOM 1237 CD LYS A 76 4.011 3.455 -19.849 1.00 0.00 C ATOM 1238 CE LYS A 76 3.813 4.683 -20.749 1.00 0.00 C ATOM 1239 NZ LYS A 76 4.718 4.655 -21.927 1.00 0.00 N ATOM 0 H LYS A 76 3.415 3.779 -15.670 1.00 0.00 H new ATOM 0 HA LYS A 76 1.225 2.320 -16.961 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.250 2.287 -17.348 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.104 1.390 -18.324 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.024 3.569 -19.007 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.238 4.435 -18.085 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.042 3.413 -19.499 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.831 2.543 -20.419 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.777 4.723 -21.087 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.995 5.590 -20.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.555 5.500 -22.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.707 4.642 -21.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.527 3.803 -22.491 1.00 0.00 H new ATOM 1253 N SER A 77 1.441 0.075 -15.818 1.00 0.00 N ATOM 1254 CA SER A 77 1.446 -1.179 -15.043 1.00 0.00 C ATOM 1255 C SER A 77 2.724 -2.014 -15.231 1.00 0.00 C ATOM 1256 O SER A 77 3.216 -2.609 -14.271 1.00 0.00 O ATOM 1257 CB SER A 77 0.215 -2.020 -15.407 1.00 0.00 C ATOM 1258 OG SER A 77 0.103 -2.180 -16.818 1.00 0.00 O ATOM 0 H SER A 77 0.630 0.170 -16.429 1.00 0.00 H new ATOM 0 HA SER A 77 1.416 -0.894 -13.991 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.285 -2.998 -14.931 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.684 -1.541 -15.020 1.00 0.00 H new ATOM 0 HG SER A 77 -0.688 -2.721 -17.024 1.00 0.00 H new ATOM 1264 N GLU A 78 3.331 -1.969 -16.423 1.00 0.00 N ATOM 1265 CA GLU A 78 4.568 -2.689 -16.764 1.00 0.00 C ATOM 1266 C GLU A 78 5.774 -2.298 -15.883 1.00 0.00 C ATOM 1267 O GLU A 78 6.730 -3.070 -15.773 1.00 0.00 O ATOM 1268 CB GLU A 78 4.917 -2.460 -18.246 1.00 0.00 C ATOM 1269 CG GLU A 78 3.829 -2.966 -19.203 1.00 0.00 C ATOM 1270 CD GLU A 78 4.280 -2.839 -20.666 1.00 0.00 C ATOM 1271 OE1 GLU A 78 4.073 -1.763 -21.276 1.00 0.00 O ATOM 1272 OE2 GLU A 78 4.838 -3.817 -21.219 1.00 0.00 O ATOM 0 H GLU A 78 2.967 -1.416 -17.199 1.00 0.00 H new ATOM 0 HA GLU A 78 4.370 -3.744 -16.574 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.076 -1.395 -18.416 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.857 -2.963 -18.474 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.598 -4.007 -18.979 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.912 -2.397 -19.051 1.00 0.00 H new ATOM 1279 N GLU A 79 5.722 -1.138 -15.217 1.00 0.00 N ATOM 1280 CA GLU A 79 6.754 -0.662 -14.289 1.00 0.00 C ATOM 1281 C GLU A 79 6.513 -1.097 -12.829 1.00 0.00 C ATOM 1282 O GLU A 79 7.431 -1.044 -12.012 1.00 0.00 O ATOM 1283 CB GLU A 79 6.807 0.873 -14.338 1.00 0.00 C ATOM 1284 CG GLU A 79 7.177 1.465 -15.707 1.00 0.00 C ATOM 1285 CD GLU A 79 8.582 1.043 -16.170 1.00 0.00 C ATOM 1286 OE1 GLU A 79 9.584 1.487 -15.560 1.00 0.00 O ATOM 1287 OE2 GLU A 79 8.696 0.287 -17.164 1.00 0.00 O ATOM 0 H GLU A 79 4.941 -0.488 -15.311 1.00 0.00 H new ATOM 0 HA GLU A 79 7.694 -1.109 -14.611 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.835 1.265 -14.040 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.531 1.221 -13.601 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.443 1.147 -16.447 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.126 2.553 -15.655 1.00 0.00 H new ATOM 1294 N VAL A 80 5.294 -1.529 -12.489 1.00 0.00 N ATOM 1295 CA VAL A 80 4.848 -1.758 -11.102 1.00 0.00 C ATOM 1296 C VAL A 80 5.366 -3.113 -10.575 1.00 0.00 C ATOM 1297 O VAL A 80 5.117 -4.134 -11.224 1.00 0.00 O ATOM 1298 CB VAL A 80 3.306 -1.683 -10.980 1.00 0.00 C ATOM 1299 CG1 VAL A 80 2.844 -1.892 -9.528 1.00 0.00 C ATOM 1300 CG2 VAL A 80 2.772 -0.325 -11.471 1.00 0.00 C ATOM 0 H VAL A 80 4.573 -1.735 -13.180 1.00 0.00 H new ATOM 0 HA VAL A 80 5.270 -0.962 -10.488 1.00 0.00 H new ATOM 0 HB VAL A 80 2.907 -2.482 -11.605 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.757 -1.833 -9.480 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.170 -2.872 -9.180 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.278 -1.119 -8.893 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.687 -0.304 -11.373 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.207 0.475 -10.872 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.044 -0.184 -12.517 1.00 0.00 H new ATOM 1310 N PRO A 81 6.059 -3.156 -9.417 1.00 0.00 N ATOM 1311 CA PRO A 81 6.608 -4.387 -8.852 1.00 0.00 C ATOM 1312 C PRO A 81 5.536 -5.251 -8.169 1.00 0.00 C ATOM 1313 O PRO A 81 4.504 -4.758 -7.709 1.00 0.00 O ATOM 1314 CB PRO A 81 7.683 -3.933 -7.859 1.00 0.00 C ATOM 1315 CG PRO A 81 7.151 -2.590 -7.368 1.00 0.00 C ATOM 1316 CD PRO A 81 6.480 -2.013 -8.613 1.00 0.00 C ATOM 0 HA PRO A 81 7.020 -5.025 -9.634 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.803 -4.643 -7.041 1.00 0.00 H new ATOM 0 HB3 PRO A 81 8.657 -3.831 -8.337 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.444 -2.711 -6.547 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.952 -1.946 -7.006 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.626 -1.392 -8.342 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.171 -1.380 -9.169 1.00 0.00 H new ATOM 1324 N ALA A 82 5.815 -6.555 -8.088 1.00 0.00 N ATOM 1325 CA ALA A 82 4.981 -7.579 -7.453 1.00 0.00 C ATOM 1326 C ALA A 82 5.836 -8.760 -6.945 1.00 0.00 C ATOM 1327 O ALA A 82 6.991 -8.915 -7.348 1.00 0.00 O ATOM 1328 CB ALA A 82 3.921 -8.039 -8.468 1.00 0.00 C ATOM 0 H ALA A 82 6.671 -6.944 -8.483 1.00 0.00 H new ATOM 0 HA ALA A 82 4.484 -7.161 -6.578 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.289 -8.802 -8.014 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.307 -7.188 -8.763 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.415 -8.453 -9.347 1.00 0.00 H new ATOM 1334 N VAL A 83 5.260 -9.618 -6.095 1.00 0.00 N ATOM 1335 CA VAL A 83 5.912 -10.802 -5.507 1.00 0.00 C ATOM 1336 C VAL A 83 6.364 -11.862 -6.536 1.00 0.00 C ATOM 1337 O VAL A 83 7.221 -12.692 -6.232 1.00 0.00 O ATOM 1338 CB VAL A 83 4.968 -11.405 -4.438 1.00 0.00 C ATOM 1339 CG1 VAL A 83 3.948 -12.419 -4.983 1.00 0.00 C ATOM 1340 CG2 VAL A 83 5.773 -11.987 -3.281 1.00 0.00 C ATOM 0 H VAL A 83 4.295 -9.507 -5.785 1.00 0.00 H new ATOM 0 HA VAL A 83 6.843 -10.468 -5.048 1.00 0.00 H new ATOM 0 HB VAL A 83 4.363 -10.575 -4.073 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.330 -12.789 -4.165 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.315 -11.934 -5.726 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.476 -13.253 -5.445 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.093 -12.406 -2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.431 -12.771 -3.654 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.371 -11.200 -2.821 1.00 0.00 H new ATOM 1350 N GLY A 84 5.813 -11.818 -7.756 1.00 0.00 N ATOM 1351 CA GLY A 84 6.192 -12.649 -8.902 1.00 0.00 C ATOM 1352 C GLY A 84 5.665 -12.078 -10.219 1.00 0.00 C ATOM 1353 O GLY A 84 4.681 -11.337 -10.235 1.00 0.00 O ATOM 0 H GLY A 84 5.056 -11.172 -7.979 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.278 -12.729 -8.949 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.804 -13.658 -8.763 1.00 0.00 H new ATOM 1357 N ILE A 85 6.305 -12.425 -11.338 1.00 0.00 N ATOM 1358 CA ILE A 85 5.922 -11.942 -12.675 1.00 0.00 C ATOM 1359 C ILE A 85 4.780 -12.829 -13.200 1.00 0.00 C ATOM 1360 O ILE A 85 5.012 -13.915 -13.737 1.00 0.00 O ATOM 1361 CB ILE A 85 7.137 -11.892 -13.637 1.00 0.00 C ATOM 1362 CG1 ILE A 85 8.303 -10.979 -13.175 1.00 0.00 C ATOM 1363 CG2 ILE A 85 6.683 -11.363 -15.015 1.00 0.00 C ATOM 1364 CD1 ILE A 85 9.147 -11.480 -11.994 1.00 0.00 C ATOM 0 H ILE A 85 7.109 -13.053 -11.346 1.00 0.00 H new ATOM 0 HA ILE A 85 5.567 -10.913 -12.612 1.00 0.00 H new ATOM 0 HB ILE A 85 7.508 -12.916 -13.667 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.967 -10.820 -14.024 1.00 0.00 H new ATOM 0 HG13 ILE A 85 7.888 -10.007 -12.908 1.00 0.00 H new ATOM 0 HG21 ILE A 85 7.537 -11.328 -15.691 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.922 -12.026 -15.426 1.00 0.00 H new ATOM 0 HG23 ILE A 85 6.269 -10.361 -14.902 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.927 -10.753 -11.770 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.509 -11.609 -11.120 1.00 0.00 H new ATOM 0 HD13 ILE A 85 9.605 -12.435 -12.253 1.00 0.00 H new ATOM 1376 N VAL A 86 3.546 -12.362 -13.023 1.00 0.00 N ATOM 1377 CA VAL A 86 2.289 -13.041 -13.400 1.00 0.00 C ATOM 1378 C VAL A 86 1.112 -12.039 -13.355 1.00 0.00 C ATOM 1379 O VAL A 86 1.083 -11.212 -12.438 1.00 0.00 O ATOM 1380 CB VAL A 86 2.024 -14.284 -12.503 1.00 0.00 C ATOM 1381 CG1 VAL A 86 1.761 -13.946 -11.023 1.00 0.00 C ATOM 1382 CG2 VAL A 86 0.874 -15.148 -13.045 1.00 0.00 C ATOM 0 H VAL A 86 3.377 -11.453 -12.591 1.00 0.00 H new ATOM 0 HA VAL A 86 2.385 -13.407 -14.422 1.00 0.00 H new ATOM 0 HB VAL A 86 2.954 -14.851 -12.542 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.585 -14.866 -10.465 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.627 -13.430 -10.608 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.884 -13.303 -10.947 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.722 -16.005 -12.389 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.040 -14.555 -13.084 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.123 -15.498 -14.047 1.00 0.00 H new ATOM 1392 N PRO A 87 0.156 -12.069 -14.311 1.00 0.00 N ATOM 1393 CA PRO A 87 -1.043 -11.228 -14.276 1.00 0.00 C ATOM 1394 C PRO A 87 -1.909 -11.471 -13.024 1.00 0.00 C ATOM 1395 O PRO A 87 -1.925 -12.592 -12.507 1.00 0.00 O ATOM 1396 CB PRO A 87 -1.827 -11.564 -15.551 1.00 0.00 C ATOM 1397 CG PRO A 87 -0.753 -12.074 -16.506 1.00 0.00 C ATOM 1398 CD PRO A 87 0.202 -12.806 -15.568 1.00 0.00 C ATOM 0 HA PRO A 87 -0.762 -10.176 -14.229 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.590 -12.320 -15.365 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.337 -10.688 -15.951 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -1.167 -12.739 -17.264 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -0.258 -11.258 -17.033 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -0.105 -13.842 -15.427 1.00 0.00 H new ATOM 0 HD3 PRO A 87 1.213 -12.825 -15.975 1.00 0.00 H new ATOM 1406 N PRO A 88 -2.654 -10.455 -12.540 1.00 0.00 N ATOM 1407 CA PRO A 88 -3.553 -10.592 -11.397 1.00 0.00 C ATOM 1408 C PRO A 88 -4.796 -11.435 -11.756 1.00 0.00 C ATOM 1409 O PRO A 88 -5.217 -11.438 -12.919 1.00 0.00 O ATOM 1410 CB PRO A 88 -3.929 -9.159 -11.005 1.00 0.00 C ATOM 1411 CG PRO A 88 -3.851 -8.401 -12.330 1.00 0.00 C ATOM 1412 CD PRO A 88 -2.693 -9.091 -13.051 1.00 0.00 C ATOM 0 HA PRO A 88 -3.079 -11.119 -10.569 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.928 -9.109 -10.571 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.240 -8.750 -10.266 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.781 -8.477 -12.894 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.657 -7.339 -12.177 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.846 -9.083 -14.130 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.752 -8.576 -12.859 1.00 0.00 H new ATOM 1420 N PRO A 89 -5.403 -12.142 -10.780 1.00 0.00 N ATOM 1421 CA PRO A 89 -6.566 -12.996 -11.003 1.00 0.00 C ATOM 1422 C PRO A 89 -7.840 -12.170 -11.236 1.00 0.00 C ATOM 1423 O PRO A 89 -8.041 -11.116 -10.633 1.00 0.00 O ATOM 1424 CB PRO A 89 -6.676 -13.865 -9.745 1.00 0.00 C ATOM 1425 CG PRO A 89 -6.089 -12.976 -8.651 1.00 0.00 C ATOM 1426 CD PRO A 89 -4.985 -12.216 -9.385 1.00 0.00 C ATOM 0 HA PRO A 89 -6.452 -13.603 -11.901 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.710 -14.135 -9.532 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.118 -14.796 -9.849 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -6.836 -12.301 -8.235 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -5.693 -13.563 -7.822 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -4.852 -11.219 -8.965 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.029 -12.731 -9.292 1.00 0.00 H new ATOM 1434 N SER A 90 -8.723 -12.669 -12.104 1.00 0.00 N ATOM 1435 CA SER A 90 -9.974 -11.990 -12.499 1.00 0.00 C ATOM 1436 C SER A 90 -11.129 -12.149 -11.484 1.00 0.00 C ATOM 1437 O SER A 90 -12.206 -11.574 -11.674 1.00 0.00 O ATOM 1438 CB SER A 90 -10.430 -12.501 -13.877 1.00 0.00 C ATOM 1439 OG SER A 90 -9.408 -12.366 -14.861 1.00 0.00 O ATOM 0 H SER A 90 -8.593 -13.570 -12.563 1.00 0.00 H new ATOM 0 HA SER A 90 -9.740 -10.926 -12.533 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.721 -13.549 -13.797 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.314 -11.948 -14.194 1.00 0.00 H new ATOM 0 HG SER A 90 -9.735 -12.703 -15.721 1.00 0.00 H new ATOM 1445 N GLY A 91 -10.932 -12.928 -10.410 1.00 0.00 N ATOM 1446 CA GLY A 91 -11.948 -13.214 -9.387 1.00 0.00 C ATOM 1447 C GLY A 91 -12.144 -12.068 -8.375 1.00 0.00 C ATOM 1448 O GLY A 91 -11.229 -11.256 -8.188 1.00 0.00 O ATOM 0 H GLY A 91 -10.040 -13.387 -10.225 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -12.899 -13.420 -9.879 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.665 -14.119 -8.849 1.00 0.00 H new ATOM 1452 N PRO A 92 -13.313 -11.998 -7.703 1.00 0.00 N ATOM 1453 CA PRO A 92 -13.625 -10.975 -6.707 1.00 0.00 C ATOM 1454 C PRO A 92 -12.898 -11.239 -5.381 1.00 0.00 C ATOM 1455 O PRO A 92 -12.478 -12.360 -5.092 1.00 0.00 O ATOM 1456 CB PRO A 92 -15.147 -11.042 -6.534 1.00 0.00 C ATOM 1457 CG PRO A 92 -15.451 -12.521 -6.772 1.00 0.00 C ATOM 1458 CD PRO A 92 -14.450 -12.899 -7.864 1.00 0.00 C ATOM 0 HA PRO A 92 -13.295 -9.986 -7.026 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.455 -10.721 -5.539 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.664 -10.403 -7.250 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -15.308 -13.114 -5.869 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -16.480 -12.676 -7.095 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -14.140 -13.939 -7.765 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -14.894 -12.792 -8.854 1.00 0.00 H new ATOM 1466 N SER A 93 -12.793 -10.209 -4.537 1.00 0.00 N ATOM 1467 CA SER A 93 -12.141 -10.286 -3.213 1.00 0.00 C ATOM 1468 C SER A 93 -12.858 -11.221 -2.214 1.00 0.00 C ATOM 1469 O SER A 93 -12.301 -11.574 -1.173 1.00 0.00 O ATOM 1470 CB SER A 93 -12.033 -8.878 -2.605 1.00 0.00 C ATOM 1471 OG SER A 93 -11.396 -7.965 -3.494 1.00 0.00 O ATOM 0 H SER A 93 -13.161 -9.282 -4.751 1.00 0.00 H new ATOM 0 HA SER A 93 -11.154 -10.715 -3.386 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.029 -8.511 -2.359 1.00 0.00 H new ATOM 0 HB3 SER A 93 -11.472 -8.927 -1.671 1.00 0.00 H new ATOM 0 HG SER A 93 -11.347 -7.081 -3.075 1.00 0.00 H new ATOM 1477 N SER A 94 -14.083 -11.653 -2.525 1.00 0.00 N ATOM 1478 CA SER A 94 -14.886 -12.590 -1.722 1.00 0.00 C ATOM 1479 C SER A 94 -14.503 -14.075 -1.921 1.00 0.00 C ATOM 1480 O SER A 94 -15.004 -14.940 -1.195 1.00 0.00 O ATOM 1481 CB SER A 94 -16.378 -12.402 -2.047 1.00 0.00 C ATOM 1482 OG SER A 94 -16.789 -11.047 -1.885 1.00 0.00 O ATOM 0 H SER A 94 -14.564 -11.351 -3.373 1.00 0.00 H new ATOM 0 HA SER A 94 -14.678 -12.352 -0.679 1.00 0.00 H new ATOM 0 HB2 SER A 94 -16.569 -12.720 -3.072 1.00 0.00 H new ATOM 0 HB3 SER A 94 -16.975 -13.043 -1.398 1.00 0.00 H new ATOM 0 HG SER A 94 -17.741 -10.966 -2.102 1.00 0.00 H new ATOM 1488 N GLY A 95 -13.627 -14.391 -2.889 1.00 0.00 N ATOM 1489 CA GLY A 95 -13.177 -15.758 -3.200 1.00 0.00 C ATOM 1490 C GLY A 95 -12.155 -15.819 -4.336 1.00 0.00 C ATOM 1491 O GLY A 95 -12.569 -16.055 -5.493 1.00 0.00 O ATOM 1492 OXT GLY A 95 -10.947 -15.660 -4.053 1.00 0.00 O ATOM 0 H GLY A 95 -13.202 -13.686 -3.491 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -12.741 -16.201 -2.305 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -14.042 -16.365 -3.467 1.00 0.00 H new TER 1496 GLY A 95