USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 610 hydrogens (32 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 NoAdj-H: A 15 HIS HE2 : A 15 HIS NE2 : A 90 HECFE :(H bumps) USER MOD NoAdj-H: A 90 HEC HAC : A 90 HEC CAC : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 90 HEC HAB : A 90 HEC CAB : A 11 CYS SG :(H bumps) USER MOD Set 1.1: A 51 ASN : amide:sc= 0.919 K(o=1.7,f=0.96) USER MOD Set 1.2: A 90 HEC O2D : rot -140:sc= 0.801 USER MOD Set 2.1: A 12 THR OG1 : rot -36:sc= 0.281 USER MOD Set 2.2: A 16 SER OG : rot 180:sc= -0.105 USER MOD Single : A 1 GLN : amide:sc=-0.00842 X(o=-0.0084,f=-0.32) USER MOD Single : A 7 TYR OH : rot 179:sc= 1.26 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 ALA N :NH3+ -116:sc= 0.208 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.544 X(o=-0.54,f=-0.19) USER MOD Single : A 27 ASN : amide:sc= 0.0462 K(o=0.046,f=-1.9!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.426 F(o=-1.6,f=-0.43) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -171:sc= -1.85 (180deg=-2.12) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 101:sc= 0.493 USER MOD Single : A 68 LYS NZ :NH3+ 165:sc= 0.391 (180deg=-0.339!) USER MOD Single : A 74 MET CE :methyl 169:sc=-0.00905 (180deg=-0.248) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 133:sc= 1.2! (180deg=-2.89!) USER MOD Single : A 90 HEC O2A : rot 178:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -3 4.784 0.479 -16.637 1.00 10.00 N ATOM 2 CA ALA A -3 5.457 -0.223 -15.523 1.00 10.00 C ATOM 3 C ALA A -3 4.987 -1.678 -15.477 1.00 10.00 C ATOM 4 O ALA A -3 4.101 -2.029 -16.255 1.00 10.00 O ATOM 5 CB ALA A -3 5.192 0.458 -14.180 1.00 10.00 C ATOM 0 H1 ALA A -3 5.492 0.776 -17.339 1.00 10.00 H new ATOM 0 H2 ALA A -3 4.098 -0.161 -17.087 1.00 10.00 H new ATOM 0 H3 ALA A -3 4.288 1.316 -16.270 1.00 10.00 H new ATOM 0 HA ALA A -3 6.532 -0.187 -15.701 1.00 10.00 H new ATOM 0 HB1 ALA A -3 5.704 -0.088 -13.388 1.00 10.00 H new ATOM 0 HB2 ALA A -3 5.563 1.483 -14.212 1.00 10.00 H new ATOM 0 HB3 ALA A -3 4.120 0.466 -13.981 1.00 10.00 H new ATOM 13 N ASP A -2 5.521 -2.483 -14.558 1.00 10.00 N ATOM 14 CA ASP A -2 5.692 -3.911 -14.775 1.00 10.00 C ATOM 15 C ASP A -2 5.842 -4.605 -13.412 1.00 10.00 C ATOM 16 O ASP A -2 6.651 -4.180 -12.585 1.00 10.00 O ATOM 17 CB ASP A -2 6.968 -4.116 -15.613 1.00 10.00 C ATOM 18 CG ASP A -2 6.937 -3.429 -16.972 1.00 10.00 C ATOM 19 OD1 ASP A -2 7.229 -2.211 -17.002 1.00 10.00 O ATOM 20 OD2 ASP A -2 6.590 -4.121 -17.950 1.00 10.00 O ATOM 0 H ASP A -2 5.845 -2.160 -13.646 1.00 10.00 H new ATOM 0 HA ASP A -2 4.833 -4.333 -15.298 1.00 10.00 H new ATOM 0 HB2 ASP A -2 7.824 -3.744 -15.049 1.00 10.00 H new ATOM 0 HB3 ASP A -2 7.124 -5.184 -15.762 1.00 10.00 H new ATOM 25 N LEU A -1 5.021 -5.628 -13.146 1.00 10.00 N ATOM 26 CA LEU A -1 4.973 -6.319 -11.855 1.00 10.00 C ATOM 27 C LEU A -1 6.178 -7.254 -11.625 1.00 10.00 C ATOM 28 O LEU A -1 6.031 -8.454 -11.440 1.00 10.00 O ATOM 29 CB LEU A -1 3.585 -6.945 -11.620 1.00 10.00 C ATOM 30 CG LEU A -1 3.104 -8.163 -12.444 1.00 10.00 C ATOM 31 CD1 LEU A -1 3.798 -8.389 -13.793 1.00 10.00 C ATOM 32 CD2 LEU A -1 3.068 -9.449 -11.602 1.00 10.00 C ATOM 0 H LEU A -1 4.364 -6.003 -13.830 1.00 10.00 H new ATOM 0 HA LEU A -1 5.092 -5.580 -11.063 1.00 10.00 H new ATOM 0 HB2 LEU A -1 3.540 -7.234 -10.570 1.00 10.00 H new ATOM 0 HB3 LEU A -1 2.850 -6.153 -11.765 1.00 10.00 H new ATOM 0 HG LEU A -1 2.085 -7.892 -12.720 1.00 10.00 H new ATOM 0 HD11 LEU A -1 3.376 -9.270 -14.276 1.00 10.00 H new ATOM 0 HD12 LEU A -1 3.646 -7.518 -14.431 1.00 10.00 H new ATOM 0 HD13 LEU A -1 4.866 -8.540 -13.632 1.00 10.00 H new ATOM 0 HD21 LEU A -1 2.725 -10.279 -12.220 1.00 10.00 H new ATOM 0 HD22 LEU A -1 4.068 -9.666 -11.226 1.00 10.00 H new ATOM 0 HD23 LEU A -1 2.386 -9.315 -10.762 1.00 10.00 H new ATOM 44 N GLN A 1 7.393 -6.696 -11.681 1.00 10.00 N ATOM 45 CA GLN A 1 8.648 -7.453 -11.683 1.00 10.00 C ATOM 46 C GLN A 1 9.375 -7.464 -10.328 1.00 10.00 C ATOM 47 O GLN A 1 10.246 -8.304 -10.105 1.00 10.00 O ATOM 48 CB GLN A 1 9.574 -6.873 -12.772 1.00 10.00 C ATOM 49 CG GLN A 1 10.141 -7.938 -13.730 1.00 10.00 C ATOM 50 CD GLN A 1 9.466 -7.932 -15.100 1.00 10.00 C ATOM 51 OE1 GLN A 1 9.278 -6.890 -15.712 1.00 10.00 O ATOM 52 NE2 GLN A 1 9.125 -9.095 -15.635 1.00 10.00 N ATOM 0 H GLN A 1 7.533 -5.687 -11.727 1.00 10.00 H new ATOM 0 HA GLN A 1 8.394 -8.492 -11.890 1.00 10.00 H new ATOM 0 HB2 GLN A 1 9.021 -6.133 -13.351 1.00 10.00 H new ATOM 0 HB3 GLN A 1 10.401 -6.350 -12.293 1.00 10.00 H new ATOM 0 HG2 GLN A 1 11.210 -7.771 -13.858 1.00 10.00 H new ATOM 0 HG3 GLN A 1 10.024 -8.923 -13.278 1.00 10.00 H new ATOM 0 HE21 GLN A 1 9.285 -9.960 -15.119 1.00 10.00 H new ATOM 0 HE22 GLN A 1 8.703 -9.125 -16.563 1.00 10.00 H new ATOM 61 N ASP A 2 9.074 -6.486 -9.472 1.00 10.00 N ATOM 62 CA ASP A 2 9.711 -6.222 -8.198 1.00 10.00 C ATOM 63 C ASP A 2 8.611 -5.742 -7.229 1.00 10.00 C ATOM 64 O ASP A 2 7.421 -5.861 -7.505 1.00 10.00 O ATOM 65 CB ASP A 2 10.813 -5.174 -8.483 1.00 10.00 C ATOM 66 CG ASP A 2 11.657 -4.763 -7.287 1.00 10.00 C ATOM 67 OD1 ASP A 2 11.640 -5.510 -6.286 1.00 10.00 O ATOM 68 OD2 ASP A 2 12.199 -3.644 -7.347 1.00 10.00 O ATOM 0 H ASP A 2 8.329 -5.818 -9.671 1.00 10.00 H new ATOM 0 HA ASP A 2 10.183 -7.086 -7.731 1.00 10.00 H new ATOM 0 HB2 ASP A 2 11.475 -5.570 -9.253 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.342 -4.282 -8.896 1.00 10.00 H new ATOM 73 N ALA A 3 9.008 -5.144 -6.117 1.00 10.00 N ATOM 74 CA ALA A 3 8.177 -4.480 -5.132 1.00 10.00 C ATOM 75 C ALA A 3 8.357 -2.959 -5.173 1.00 10.00 C ATOM 76 O ALA A 3 7.376 -2.210 -5.152 1.00 10.00 O ATOM 77 CB ALA A 3 8.595 -5.066 -3.794 1.00 10.00 C ATOM 0 H ALA A 3 9.995 -5.109 -5.863 1.00 10.00 H new ATOM 0 HA ALA A 3 7.117 -4.644 -5.324 1.00 10.00 H new ATOM 0 HB1 ALA A 3 8.007 -4.610 -2.997 1.00 10.00 H new ATOM 0 HB2 ALA A 3 8.425 -6.143 -3.799 1.00 10.00 H new ATOM 0 HB3 ALA A 3 9.653 -4.866 -3.624 1.00 10.00 H new ATOM 83 N GLU A 4 9.607 -2.487 -5.265 1.00 10.00 N ATOM 84 CA GLU A 4 9.869 -1.055 -5.310 1.00 10.00 C ATOM 85 C GLU A 4 9.168 -0.390 -6.496 1.00 10.00 C ATOM 86 O GLU A 4 8.437 0.581 -6.324 1.00 10.00 O ATOM 87 CB GLU A 4 11.369 -0.750 -5.257 1.00 10.00 C ATOM 88 CG GLU A 4 11.602 0.769 -5.404 1.00 10.00 C ATOM 89 CD GLU A 4 12.630 1.322 -4.427 1.00 10.00 C ATOM 90 OE1 GLU A 4 13.803 0.909 -4.530 1.00 10.00 O ATOM 91 OE2 GLU A 4 12.209 2.158 -3.596 1.00 10.00 O ATOM 0 H GLU A 4 10.440 -3.074 -5.309 1.00 10.00 H new ATOM 0 HA GLU A 4 9.437 -0.613 -4.412 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.787 -1.101 -4.314 1.00 10.00 H new ATOM 0 HB3 GLU A 4 11.886 -1.285 -6.054 1.00 10.00 H new ATOM 0 HG2 GLU A 4 11.928 0.982 -6.422 1.00 10.00 H new ATOM 0 HG3 GLU A 4 10.656 1.290 -5.257 1.00 10.00 H new ATOM 98 N ALA A 5 9.297 -0.957 -7.696 1.00 10.00 N ATOM 99 CA ALA A 5 8.712 -0.359 -8.895 1.00 10.00 C ATOM 100 C ALA A 5 7.181 -0.382 -8.828 1.00 10.00 C ATOM 101 O ALA A 5 6.506 0.494 -9.367 1.00 10.00 O ATOM 102 CB ALA A 5 9.205 -1.120 -10.126 1.00 10.00 C ATOM 0 H ALA A 5 9.801 -1.828 -7.863 1.00 10.00 H new ATOM 0 HA ALA A 5 9.024 0.683 -8.961 1.00 10.00 H new ATOM 0 HB1 ALA A 5 8.772 -0.679 -11.024 1.00 10.00 H new ATOM 0 HB2 ALA A 5 10.292 -1.060 -10.180 1.00 10.00 H new ATOM 0 HB3 ALA A 5 8.903 -2.165 -10.053 1.00 10.00 H new ATOM 108 N ILE A 6 6.628 -1.365 -8.120 1.00 10.00 N ATOM 109 CA ILE A 6 5.196 -1.534 -7.953 1.00 10.00 C ATOM 110 C ILE A 6 4.683 -0.396 -7.079 1.00 10.00 C ATOM 111 O ILE A 6 3.794 0.335 -7.513 1.00 10.00 O ATOM 112 CB ILE A 6 4.912 -2.930 -7.374 1.00 10.00 C ATOM 113 CG1 ILE A 6 4.989 -4.010 -8.467 1.00 10.00 C ATOM 114 CG2 ILE A 6 3.536 -3.000 -6.697 1.00 10.00 C ATOM 115 CD1 ILE A 6 6.287 -3.948 -9.283 1.00 10.00 C ATOM 0 H ILE A 6 7.178 -2.077 -7.639 1.00 10.00 H new ATOM 0 HA ILE A 6 4.666 -1.483 -8.904 1.00 10.00 H new ATOM 0 HB ILE A 6 5.680 -3.116 -6.624 1.00 10.00 H new ATOM 0 HG12 ILE A 6 4.904 -4.993 -8.005 1.00 10.00 H new ATOM 0 HG13 ILE A 6 4.138 -3.899 -9.139 1.00 10.00 H new ATOM 0 HG21 ILE A 6 3.376 -4.003 -6.302 1.00 10.00 H new ATOM 0 HG22 ILE A 6 3.494 -2.278 -5.882 1.00 10.00 H new ATOM 0 HG23 ILE A 6 2.760 -2.769 -7.426 1.00 10.00 H new ATOM 0 HD11 ILE A 6 6.281 -4.735 -10.037 1.00 10.00 H new ATOM 0 HD12 ILE A 6 6.363 -2.977 -9.772 1.00 10.00 H new ATOM 0 HD13 ILE A 6 7.141 -4.088 -8.620 1.00 10.00 H new ATOM 127 N TYR A 7 5.289 -0.157 -5.909 1.00 10.00 N ATOM 128 CA TYR A 7 4.824 0.981 -5.113 1.00 10.00 C ATOM 129 C TYR A 7 5.159 2.323 -5.787 1.00 10.00 C ATOM 130 O TYR A 7 4.314 3.208 -5.878 1.00 10.00 O ATOM 131 CB TYR A 7 5.235 0.894 -3.632 1.00 10.00 C ATOM 132 CG TYR A 7 6.518 1.605 -3.263 1.00 10.00 C ATOM 133 CD1 TYR A 7 6.534 3.006 -3.109 1.00 10.00 C ATOM 134 CD2 TYR A 7 7.703 0.873 -3.096 1.00 10.00 C ATOM 135 CE1 TYR A 7 7.758 3.679 -2.962 1.00 10.00 C ATOM 136 CE2 TYR A 7 8.927 1.552 -2.966 1.00 10.00 C ATOM 137 CZ TYR A 7 8.959 2.953 -2.935 1.00 10.00 C ATOM 138 OH TYR A 7 10.144 3.615 -2.870 1.00 10.00 O ATOM 0 H TYR A 7 6.056 -0.700 -5.512 1.00 10.00 H new ATOM 0 HA TYR A 7 3.736 0.929 -5.087 1.00 10.00 H new ATOM 0 HB2 TYR A 7 4.427 1.304 -3.025 1.00 10.00 H new ATOM 0 HB3 TYR A 7 5.334 -0.158 -3.363 1.00 10.00 H new ATOM 0 HD1 TYR A 7 5.607 3.561 -3.104 1.00 10.00 H new ATOM 0 HD2 TYR A 7 7.675 -0.206 -3.067 1.00 10.00 H new ATOM 0 HE1 TYR A 7 7.775 4.755 -2.870 1.00 10.00 H new ATOM 0 HE2 TYR A 7 9.847 0.992 -2.890 1.00 10.00 H new ATOM 0 HH TYR A 7 10.879 2.968 -2.842 1.00 10.00 H new ATOM 148 N ASN A 8 6.365 2.435 -6.341 1.00 10.00 N ATOM 149 CA ASN A 8 6.913 3.632 -6.959 1.00 10.00 C ATOM 150 C ASN A 8 6.190 4.014 -8.261 1.00 10.00 C ATOM 151 O ASN A 8 6.259 5.168 -8.664 1.00 10.00 O ATOM 152 CB ASN A 8 8.416 3.410 -7.155 1.00 10.00 C ATOM 153 CG ASN A 8 9.187 4.648 -7.588 1.00 10.00 C ATOM 154 OD1 ASN A 8 8.912 5.764 -7.168 1.00 10.00 O ATOM 155 ND2 ASN A 8 10.200 4.458 -8.422 1.00 10.00 N ATOM 0 H ASN A 8 7.016 1.651 -6.370 1.00 10.00 H new ATOM 0 HA ASN A 8 6.753 4.489 -6.304 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.841 3.042 -6.221 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.560 2.628 -7.901 1.00 10.00 H new ATOM 0 HD21 ASN A 8 10.767 5.250 -8.725 1.00 10.00 H new ATOM 0 HD22 ASN A 8 10.413 3.520 -8.761 1.00 10.00 H new ATOM 162 N LYS A 9 5.506 3.076 -8.934 1.00 10.00 N ATOM 163 CA LYS A 9 4.573 3.387 -10.023 1.00 10.00 C ATOM 164 C LYS A 9 3.109 3.533 -9.566 1.00 10.00 C ATOM 165 O LYS A 9 2.332 4.207 -10.238 1.00 10.00 O ATOM 166 CB LYS A 9 4.732 2.388 -11.180 1.00 10.00 C ATOM 167 CG LYS A 9 3.951 1.074 -11.016 1.00 10.00 C ATOM 168 CD LYS A 9 2.594 1.110 -11.747 1.00 10.00 C ATOM 169 CE LYS A 9 1.978 -0.295 -11.777 1.00 10.00 C ATOM 170 NZ LYS A 9 0.759 -0.353 -12.617 1.00 10.00 N ATOM 0 H LYS A 9 5.586 2.079 -8.736 1.00 10.00 H new ATOM 0 HA LYS A 9 4.845 4.376 -10.392 1.00 10.00 H new ATOM 0 HB2 LYS A 9 4.412 2.871 -12.103 1.00 10.00 H new ATOM 0 HB3 LYS A 9 5.790 2.152 -11.294 1.00 10.00 H new ATOM 0 HG2 LYS A 9 4.548 0.248 -11.402 1.00 10.00 H new ATOM 0 HG3 LYS A 9 3.786 0.881 -9.956 1.00 10.00 H new ATOM 0 HD2 LYS A 9 1.919 1.802 -11.244 1.00 10.00 H new ATOM 0 HD3 LYS A 9 2.729 1.479 -12.764 1.00 10.00 H new ATOM 0 HE2 LYS A 9 2.713 -1.004 -12.157 1.00 10.00 H new ATOM 0 HE3 LYS A 9 1.732 -0.604 -10.761 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 0.377 -1.320 -12.608 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 0.046 0.304 -12.240 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 0.997 -0.084 -13.593 1.00 10.00 H new ATOM 184 N ALA A 10 2.701 2.850 -8.486 1.00 10.00 N ATOM 185 CA ALA A 10 1.302 2.749 -8.056 1.00 10.00 C ATOM 186 C ALA A 10 1.016 3.610 -6.824 1.00 10.00 C ATOM 187 O ALA A 10 0.315 4.618 -6.914 1.00 10.00 O ATOM 188 CB ALA A 10 0.938 1.283 -7.801 1.00 10.00 C ATOM 0 H ALA A 10 3.346 2.345 -7.878 1.00 10.00 H new ATOM 0 HA ALA A 10 0.675 3.135 -8.860 1.00 10.00 H new ATOM 0 HB1 ALA A 10 -0.102 1.217 -7.482 1.00 10.00 H new ATOM 0 HB2 ALA A 10 1.074 0.710 -8.718 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.583 0.878 -7.021 1.00 10.00 H new ATOM 194 N CYS A 11 1.583 3.259 -5.667 1.00 10.00 N ATOM 195 CA CYS A 11 1.402 3.955 -4.392 1.00 10.00 C ATOM 196 C CYS A 11 2.250 5.255 -4.361 1.00 10.00 C ATOM 197 O CYS A 11 2.883 5.604 -3.369 1.00 10.00 O ATOM 198 CB CYS A 11 1.723 3.018 -3.235 1.00 10.00 C ATOM 199 SG CYS A 11 1.724 1.228 -3.581 1.00 10.00 S ATOM 0 H CYS A 11 2.203 2.453 -5.590 1.00 10.00 H new ATOM 0 HA CYS A 11 0.360 4.255 -4.284 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.705 3.287 -2.847 1.00 10.00 H new ATOM 0 HB3 CYS A 11 1.003 3.207 -2.439 1.00 10.00 H new ATOM 204 N THR A 12 2.261 5.987 -5.480 1.00 10.00 N ATOM 205 CA THR A 12 3.176 7.088 -5.768 1.00 10.00 C ATOM 206 C THR A 12 2.467 8.360 -6.205 1.00 10.00 C ATOM 207 O THR A 12 3.092 9.402 -6.390 1.00 10.00 O ATOM 208 CB THR A 12 4.157 6.638 -6.852 1.00 10.00 C ATOM 209 OG1 THR A 12 5.229 7.541 -6.900 1.00 10.00 O ATOM 210 CG2 THR A 12 3.478 6.598 -8.232 1.00 10.00 C ATOM 0 H THR A 12 1.602 5.818 -6.240 1.00 10.00 H new ATOM 0 HA THR A 12 3.699 7.333 -4.843 1.00 10.00 H new ATOM 0 HB THR A 12 4.507 5.635 -6.607 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.902 8.447 -6.720 1.00 10.00 H new ATOM 0 HG21 THR A 12 4.199 6.275 -8.983 1.00 10.00 H new ATOM 0 HG22 THR A 12 2.643 5.898 -8.206 1.00 10.00 H new ATOM 0 HG23 THR A 12 3.111 7.592 -8.486 1.00 10.00 H new ATOM 218 N VAL A 13 1.157 8.259 -6.406 1.00 10.00 N ATOM 219 CA VAL A 13 0.323 9.340 -6.895 1.00 10.00 C ATOM 220 C VAL A 13 -0.290 10.063 -5.694 1.00 10.00 C ATOM 221 O VAL A 13 -0.386 11.286 -5.651 1.00 10.00 O ATOM 222 CB VAL A 13 -0.743 8.737 -7.825 1.00 10.00 C ATOM 223 CG1 VAL A 13 -1.414 9.878 -8.580 1.00 10.00 C ATOM 224 CG2 VAL A 13 -0.143 7.763 -8.851 1.00 10.00 C ATOM 0 H VAL A 13 0.637 7.400 -6.227 1.00 10.00 H new ATOM 0 HA VAL A 13 0.895 10.073 -7.465 1.00 10.00 H new ATOM 0 HB VAL A 13 -1.450 8.179 -7.211 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -2.175 9.474 -9.247 1.00 10.00 H new ATOM 0 HG12 VAL A 13 -1.879 10.561 -7.869 1.00 10.00 H new ATOM 0 HG13 VAL A 13 -0.668 10.416 -9.164 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -0.937 7.365 -9.483 1.00 10.00 H new ATOM 0 HG22 VAL A 13 0.584 8.289 -9.470 1.00 10.00 H new ATOM 0 HG23 VAL A 13 0.350 6.943 -8.329 1.00 10.00 H new ATOM 234 N CYS A 14 -0.685 9.261 -4.706 1.00 10.00 N ATOM 235 CA CYS A 14 -1.437 9.665 -3.538 1.00 10.00 C ATOM 236 C CYS A 14 -0.543 9.669 -2.296 1.00 10.00 C ATOM 237 O CYS A 14 -0.407 10.696 -1.642 1.00 10.00 O ATOM 238 CB CYS A 14 -2.602 8.721 -3.434 1.00 10.00 C ATOM 239 SG CYS A 14 -3.548 8.818 -4.977 1.00 10.00 S ATOM 0 H CYS A 14 -0.474 8.263 -4.707 1.00 10.00 H new ATOM 0 HA CYS A 14 -1.808 10.686 -3.621 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.252 7.702 -3.266 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -3.232 8.986 -2.585 1.00 10.00 H new ATOM 244 N HIS A 15 0.100 8.538 -1.995 1.00 10.00 N ATOM 245 CA HIS A 15 0.868 8.310 -0.768 1.00 10.00 C ATOM 246 C HIS A 15 2.238 9.011 -0.728 1.00 10.00 C ATOM 247 O HIS A 15 2.825 9.181 0.345 1.00 10.00 O ATOM 248 CB HIS A 15 1.085 6.802 -0.641 1.00 10.00 C ATOM 249 CG HIS A 15 -0.112 6.009 -0.209 1.00 10.00 C ATOM 250 ND1 HIS A 15 -0.145 5.294 0.954 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.203 5.651 -0.957 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.228 4.505 0.908 1.00 10.00 C ATOM 253 NE2 HIS A 15 -1.934 4.707 -0.220 1.00 10.00 N ATOM 0 H HIS A 15 0.101 7.730 -2.618 1.00 10.00 H new ATOM 0 HA HIS A 15 0.294 8.735 0.056 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.424 6.419 -1.604 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.891 6.628 0.072 1.00 10.00 H new ATOM 0 HD1 HIS A 15 0.530 5.350 1.717 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.455 6.028 -1.937 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.499 3.798 1.678 1.00 10.00 H new ATOM 261 N SER A 16 2.766 9.394 -1.894 1.00 10.00 N ATOM 262 CA SER A 16 4.046 10.097 -2.009 1.00 10.00 C ATOM 263 C SER A 16 3.950 11.481 -1.362 1.00 10.00 C ATOM 264 O SER A 16 4.774 11.852 -0.531 1.00 10.00 O ATOM 265 CB SER A 16 4.462 10.207 -3.485 1.00 10.00 C ATOM 266 OG SER A 16 5.175 9.044 -3.860 1.00 10.00 O ATOM 0 H SER A 16 2.313 9.223 -2.792 1.00 10.00 H new ATOM 0 HA SER A 16 4.811 9.527 -1.482 1.00 10.00 H new ATOM 0 HB2 SER A 16 3.580 10.325 -4.115 1.00 10.00 H new ATOM 0 HB3 SER A 16 5.082 11.091 -3.635 1.00 10.00 H new ATOM 0 HG SER A 16 5.439 9.112 -4.801 1.00 10.00 H new ATOM 272 N MET A 17 2.925 12.237 -1.764 1.00 10.00 N ATOM 273 CA MET A 17 2.670 13.605 -1.327 1.00 10.00 C ATOM 274 C MET A 17 1.611 13.655 -0.207 1.00 10.00 C ATOM 275 O MET A 17 1.680 14.502 0.679 1.00 10.00 O ATOM 276 CB MET A 17 2.211 14.385 -2.566 1.00 10.00 C ATOM 277 CG MET A 17 2.511 15.889 -2.510 1.00 10.00 C ATOM 278 SD MET A 17 4.131 16.369 -3.169 1.00 10.00 S ATOM 279 CE MET A 17 3.753 18.039 -3.734 1.00 10.00 C ATOM 0 H MET A 17 2.227 11.898 -2.426 1.00 10.00 H new ATOM 0 HA MET A 17 3.572 14.047 -0.903 1.00 10.00 H new ATOM 0 HB2 MET A 17 2.694 13.962 -3.447 1.00 10.00 H new ATOM 0 HB3 MET A 17 1.138 14.245 -2.693 1.00 10.00 H new ATOM 0 HG2 MET A 17 1.737 16.420 -3.065 1.00 10.00 H new ATOM 0 HG3 MET A 17 2.444 16.220 -1.474 1.00 10.00 H new ATOM 0 HE1 MET A 17 4.646 18.486 -4.171 1.00 10.00 H new ATOM 0 HE2 MET A 17 2.963 17.999 -4.484 1.00 10.00 H new ATOM 0 HE3 MET A 17 3.421 18.643 -2.889 1.00 10.00 H new ATOM 289 N GLY A 18 0.624 12.751 -0.270 1.00 10.00 N ATOM 290 CA GLY A 18 -0.547 12.684 0.606 1.00 10.00 C ATOM 291 C GLY A 18 -1.791 13.331 -0.024 1.00 10.00 C ATOM 292 O GLY A 18 -2.377 14.247 0.549 1.00 10.00 O ATOM 0 H GLY A 18 0.624 12.010 -0.971 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -0.763 11.641 0.840 1.00 10.00 H new ATOM 0 HA3 GLY A 18 -0.320 13.182 1.549 1.00 10.00 H new ATOM 296 N VAL A 19 -2.211 12.852 -1.203 1.00 10.00 N ATOM 297 CA VAL A 19 -3.384 13.343 -1.936 1.00 10.00 C ATOM 298 C VAL A 19 -4.617 12.486 -1.611 1.00 10.00 C ATOM 299 O VAL A 19 -4.497 11.333 -1.204 1.00 10.00 O ATOM 300 CB VAL A 19 -3.111 13.392 -3.455 1.00 10.00 C ATOM 301 CG1 VAL A 19 -4.228 14.110 -4.225 1.00 10.00 C ATOM 302 CG2 VAL A 19 -1.783 14.098 -3.754 1.00 10.00 C ATOM 0 H VAL A 19 -1.731 12.092 -1.685 1.00 10.00 H new ATOM 0 HA VAL A 19 -3.590 14.363 -1.613 1.00 10.00 H new ATOM 0 HB VAL A 19 -3.066 12.355 -3.787 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -3.990 14.118 -5.289 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -5.172 13.587 -4.069 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -4.317 15.135 -3.865 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -1.616 14.118 -4.831 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -1.820 15.119 -3.373 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -0.968 13.560 -3.271 1.00 10.00 H new ATOM 312 N ALA A 20 -5.809 13.074 -1.734 1.00 10.00 N ATOM 313 CA ALA A 20 -7.101 12.443 -1.431 1.00 10.00 C ATOM 314 C ALA A 20 -7.205 11.917 0.014 1.00 10.00 C ATOM 315 O ALA A 20 -8.025 11.053 0.308 1.00 10.00 O ATOM 316 CB ALA A 20 -7.391 11.346 -2.462 1.00 10.00 C ATOM 0 H ALA A 20 -5.908 14.036 -2.058 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.867 13.215 -1.503 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -8.350 10.879 -2.236 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -7.427 11.784 -3.459 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -6.603 10.594 -2.424 1.00 10.00 H new ATOM 322 N GLY A 21 -6.365 12.440 0.913 1.00 10.00 N ATOM 323 CA GLY A 21 -6.227 11.971 2.288 1.00 10.00 C ATOM 324 C GLY A 21 -5.397 10.684 2.418 1.00 10.00 C ATOM 325 O GLY A 21 -5.529 9.966 3.406 1.00 10.00 O ATOM 0 H GLY A 21 -5.748 13.222 0.695 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -5.762 12.755 2.886 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -7.219 11.798 2.705 1.00 10.00 H new ATOM 329 N ALA A 22 -4.537 10.377 1.440 1.00 10.00 N ATOM 330 CA ALA A 22 -3.701 9.182 1.486 1.00 10.00 C ATOM 331 C ALA A 22 -2.619 9.258 2.580 1.00 10.00 C ATOM 332 O ALA A 22 -2.051 10.323 2.824 1.00 10.00 O ATOM 333 CB ALA A 22 -3.085 8.923 0.109 1.00 10.00 C ATOM 0 H ALA A 22 -4.405 10.947 0.604 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.341 8.341 1.752 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.462 8.029 0.151 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.879 8.778 -0.623 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.474 9.777 -0.183 1.00 10.00 H new ATOM 339 N PRO A 23 -2.324 8.126 3.236 1.00 10.00 N ATOM 340 CA PRO A 23 -1.342 8.018 4.308 1.00 10.00 C ATOM 341 C PRO A 23 0.080 8.077 3.743 1.00 10.00 C ATOM 342 O PRO A 23 0.340 7.616 2.631 1.00 10.00 O ATOM 343 CB PRO A 23 -1.634 6.665 4.949 1.00 10.00 C ATOM 344 CG PRO A 23 -2.121 5.831 3.778 1.00 10.00 C ATOM 345 CD PRO A 23 -2.917 6.832 2.957 1.00 10.00 C ATOM 0 HA PRO A 23 -1.409 8.833 5.028 1.00 10.00 H new ATOM 0 HB2 PRO A 23 -0.744 6.235 5.408 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -2.390 6.743 5.731 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -1.292 5.410 3.209 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -2.739 4.995 4.106 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -2.863 6.597 1.894 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -3.971 6.816 3.234 1.00 10.00 H new ATOM 353 N LYS A 24 1.014 8.650 4.502 1.00 10.00 N ATOM 354 CA LYS A 24 2.327 8.993 3.961 1.00 10.00 C ATOM 355 C LYS A 24 3.204 7.747 3.769 1.00 10.00 C ATOM 356 O LYS A 24 3.295 6.898 4.662 1.00 10.00 O ATOM 357 CB LYS A 24 3.004 10.048 4.850 1.00 10.00 C ATOM 358 CG LYS A 24 3.712 11.151 4.054 1.00 10.00 C ATOM 359 CD LYS A 24 4.267 12.207 5.028 1.00 10.00 C ATOM 360 CE LYS A 24 4.117 13.617 4.440 1.00 10.00 C ATOM 361 NZ LYS A 24 4.571 14.652 5.392 1.00 10.00 N ATOM 0 H LYS A 24 0.886 8.885 5.486 1.00 10.00 H new ATOM 0 HA LYS A 24 2.191 9.426 2.970 1.00 10.00 H new ATOM 0 HB2 LYS A 24 2.254 10.502 5.498 1.00 10.00 H new ATOM 0 HB3 LYS A 24 3.729 9.555 5.498 1.00 10.00 H new ATOM 0 HG2 LYS A 24 4.522 10.725 3.462 1.00 10.00 H new ATOM 0 HG3 LYS A 24 3.016 11.615 3.355 1.00 10.00 H new ATOM 0 HD2 LYS A 24 3.738 12.146 5.979 1.00 10.00 H new ATOM 0 HD3 LYS A 24 5.318 12.003 5.234 1.00 10.00 H new ATOM 0 HE2 LYS A 24 4.694 13.691 3.518 1.00 10.00 H new ATOM 0 HE3 LYS A 24 3.074 13.794 4.178 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 4.456 15.592 4.963 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 4.004 14.596 6.262 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 5.573 14.497 5.622 1.00 10.00 H new ATOM 375 N SER A 25 3.880 7.664 2.613 1.00 10.00 N ATOM 376 CA SER A 25 4.800 6.573 2.259 1.00 10.00 C ATOM 377 C SER A 25 5.790 6.215 3.385 1.00 10.00 C ATOM 378 O SER A 25 6.149 5.055 3.569 1.00 10.00 O ATOM 379 CB SER A 25 5.547 6.932 0.963 1.00 10.00 C ATOM 380 OG SER A 25 5.784 5.757 0.213 1.00 10.00 O ATOM 0 H SER A 25 3.800 8.370 1.881 1.00 10.00 H new ATOM 0 HA SER A 25 4.196 5.679 2.104 1.00 10.00 H new ATOM 0 HB2 SER A 25 4.960 7.638 0.376 1.00 10.00 H new ATOM 0 HB3 SER A 25 6.492 7.422 1.199 1.00 10.00 H new ATOM 0 HG SER A 25 6.258 5.986 -0.613 1.00 10.00 H new ATOM 386 N HIS A 26 6.209 7.230 4.151 1.00 10.00 N ATOM 387 CA HIS A 26 6.989 7.108 5.377 1.00 10.00 C ATOM 388 C HIS A 26 6.254 7.840 6.512 1.00 10.00 C ATOM 389 O HIS A 26 6.251 9.066 6.580 1.00 10.00 O ATOM 390 CB HIS A 26 8.418 7.637 5.151 1.00 10.00 C ATOM 391 CG HIS A 26 8.501 9.072 4.682 1.00 10.00 C ATOM 392 ND1 HIS A 26 8.356 9.505 3.384 1.00 10.00 N ATOM 393 CD2 HIS A 26 8.689 10.179 5.467 1.00 10.00 C ATOM 394 CE1 HIS A 26 8.440 10.846 3.392 1.00 10.00 C ATOM 395 NE2 HIS A 26 8.636 11.305 4.639 1.00 10.00 N ATOM 0 H HIS A 26 6.001 8.201 3.917 1.00 10.00 H new ATOM 0 HA HIS A 26 7.088 6.062 5.666 1.00 10.00 H new ATOM 0 HB2 HIS A 26 8.976 7.542 6.082 1.00 10.00 H new ATOM 0 HB3 HIS A 26 8.913 7.001 4.417 1.00 10.00 H new ATOM 0 HD2 HIS A 26 8.850 10.182 6.535 1.00 10.00 H new ATOM 0 HE1 HIS A 26 8.361 11.470 2.514 1.00 10.00 H new ATOM 0 HE2 HIS A 26 8.728 12.280 4.925 1.00 10.00 H new ATOM 403 N ASN A 27 5.603 7.091 7.400 1.00 10.00 N ATOM 404 CA ASN A 27 5.020 7.591 8.636 1.00 10.00 C ATOM 405 C ASN A 27 5.265 6.526 9.717 1.00 10.00 C ATOM 406 O ASN A 27 5.514 5.369 9.385 1.00 10.00 O ATOM 407 CB ASN A 27 3.512 7.831 8.413 1.00 10.00 C ATOM 408 CG ASN A 27 3.086 9.278 8.182 1.00 10.00 C ATOM 409 OD1 ASN A 27 3.846 10.216 8.384 1.00 10.00 O ATOM 410 ND2 ASN A 27 1.842 9.507 7.778 1.00 10.00 N ATOM 0 H ASN A 27 5.464 6.089 7.272 1.00 10.00 H new ATOM 0 HA ASN A 27 5.467 8.535 8.947 1.00 10.00 H new ATOM 0 HB2 ASN A 27 3.194 7.239 7.554 1.00 10.00 H new ATOM 0 HB3 ASN A 27 2.973 7.450 9.280 1.00 10.00 H new ATOM 0 HD21 ASN A 27 1.520 10.464 7.636 1.00 10.00 H new ATOM 0 HD22 ASN A 27 1.208 8.726 7.610 1.00 10.00 H new ATOM 417 N THR A 28 5.162 6.887 11.001 1.00 10.00 N ATOM 418 CA THR A 28 5.209 5.899 12.090 1.00 10.00 C ATOM 419 C THR A 28 3.839 5.743 12.762 1.00 10.00 C ATOM 420 O THR A 28 3.407 4.628 13.045 1.00 10.00 O ATOM 421 CB THR A 28 6.254 6.356 13.123 1.00 10.00 C ATOM 422 OG1 THR A 28 7.505 6.542 12.500 1.00 10.00 O ATOM 423 CG2 THR A 28 6.448 5.349 14.258 1.00 10.00 C ATOM 0 H THR A 28 5.046 7.851 11.313 1.00 10.00 H new ATOM 0 HA THR A 28 5.484 4.929 11.677 1.00 10.00 H new ATOM 0 HB THR A 28 5.875 7.288 13.543 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.162 6.834 13.166 1.00 10.00 H new ATOM 0 HG21 THR A 28 7.196 5.726 14.955 1.00 10.00 H new ATOM 0 HG22 THR A 28 5.503 5.206 14.783 1.00 10.00 H new ATOM 0 HG23 THR A 28 6.783 4.397 13.846 1.00 10.00 H new ATOM 431 N ALA A 29 3.076 6.834 12.881 1.00 10.00 N ATOM 432 CA ALA A 29 1.775 6.842 13.553 1.00 10.00 C ATOM 433 C ALA A 29 0.610 6.476 12.624 1.00 10.00 C ATOM 434 O ALA A 29 -0.498 6.213 13.075 1.00 10.00 O ATOM 435 CB ALA A 29 1.558 8.219 14.167 1.00 10.00 C ATOM 0 H ALA A 29 3.348 7.744 12.510 1.00 10.00 H new ATOM 0 HA ALA A 29 1.790 6.072 14.324 1.00 10.00 H new ATOM 0 HB1 ALA A 29 0.593 8.244 14.673 1.00 10.00 H new ATOM 0 HB2 ALA A 29 2.350 8.425 14.887 1.00 10.00 H new ATOM 0 HB3 ALA A 29 1.576 8.975 13.382 1.00 10.00 H new ATOM 441 N ASP A 30 0.871 6.459 11.317 1.00 10.00 N ATOM 442 CA ASP A 30 -0.051 6.041 10.275 1.00 10.00 C ATOM 443 C ASP A 30 0.078 4.520 10.038 1.00 10.00 C ATOM 444 O ASP A 30 -0.850 3.854 9.580 1.00 10.00 O ATOM 445 CB ASP A 30 0.356 6.887 9.066 1.00 10.00 C ATOM 446 CG ASP A 30 -0.695 7.158 8.030 1.00 10.00 C ATOM 447 OD1 ASP A 30 -1.732 6.460 8.028 1.00 10.00 O ATOM 448 OD2 ASP A 30 -0.343 8.006 7.181 1.00 10.00 O ATOM 0 H ASP A 30 1.775 6.751 10.944 1.00 10.00 H new ATOM 0 HA ASP A 30 -1.103 6.195 10.517 1.00 10.00 H new ATOM 0 HB2 ASP A 30 0.723 7.846 9.433 1.00 10.00 H new ATOM 0 HB3 ASP A 30 1.194 6.392 8.575 1.00 10.00 H new ATOM 453 N TRP A 31 1.253 3.964 10.349 1.00 10.00 N ATOM 454 CA TRP A 31 1.596 2.554 10.194 1.00 10.00 C ATOM 455 C TRP A 31 1.405 1.784 11.525 1.00 10.00 C ATOM 456 O TRP A 31 0.917 0.650 11.520 1.00 10.00 O ATOM 457 CB TRP A 31 3.001 2.479 9.567 1.00 10.00 C ATOM 458 CG TRP A 31 3.118 3.095 8.187 1.00 10.00 C ATOM 459 CD1 TRP A 31 3.167 4.417 7.904 1.00 10.00 C ATOM 460 CD2 TRP A 31 3.230 2.449 6.884 1.00 10.00 C ATOM 461 NE1 TRP A 31 3.194 4.647 6.550 1.00 10.00 N ATOM 462 CE2 TRP A 31 3.226 3.462 5.872 1.00 10.00 C ATOM 463 CE3 TRP A 31 3.314 1.114 6.442 1.00 10.00 C ATOM 464 CZ2 TRP A 31 3.234 3.179 4.508 1.00 10.00 C ATOM 465 CZ3 TRP A 31 3.466 0.835 5.076 1.00 10.00 C ATOM 466 CH2 TRP A 31 3.281 1.844 4.117 1.00 10.00 C ATOM 0 H TRP A 31 2.023 4.512 10.733 1.00 10.00 H new ATOM 0 HA TRP A 31 0.919 2.040 9.512 1.00 10.00 H new ATOM 0 HB2 TRP A 31 3.707 2.977 10.232 1.00 10.00 H new ATOM 0 HB3 TRP A 31 3.301 1.433 9.509 1.00 10.00 H new ATOM 0 HD1 TRP A 31 3.183 5.196 8.651 1.00 10.00 H new ATOM 0 HE1 TRP A 31 3.191 5.569 6.114 1.00 10.00 H new ATOM 0 HE3 TRP A 31 3.261 0.305 7.155 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 3.205 3.972 3.776 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.727 -0.164 4.759 1.00 10.00 H new ATOM 0 HH2 TRP A 31 3.175 1.584 3.074 1.00 10.00 H new ATOM 477 N GLU A 32 1.678 2.417 12.679 1.00 10.00 N ATOM 478 CA GLU A 32 1.338 1.877 14.002 1.00 10.00 C ATOM 479 C GLU A 32 -0.092 1.291 14.114 1.00 10.00 C ATOM 480 O GLU A 32 -0.218 0.109 14.442 1.00 10.00 O ATOM 481 CB GLU A 32 1.672 2.924 15.075 1.00 10.00 C ATOM 482 CG GLU A 32 1.330 2.458 16.503 1.00 10.00 C ATOM 483 CD GLU A 32 0.168 3.228 17.120 1.00 10.00 C ATOM 484 OE1 GLU A 32 -0.935 3.145 16.541 1.00 10.00 O ATOM 485 OE2 GLU A 32 0.412 3.889 18.151 1.00 10.00 O ATOM 0 H GLU A 32 2.144 3.324 12.718 1.00 10.00 H new ATOM 0 HA GLU A 32 1.959 0.998 14.172 1.00 10.00 H new ATOM 0 HB2 GLU A 32 2.734 3.163 15.022 1.00 10.00 H new ATOM 0 HB3 GLU A 32 1.127 3.843 14.859 1.00 10.00 H new ATOM 0 HG2 GLU A 32 1.085 1.396 16.484 1.00 10.00 H new ATOM 0 HG3 GLU A 32 2.210 2.571 17.136 1.00 10.00 H new ATOM 492 N PRO A 33 -1.173 2.010 13.748 1.00 10.00 N ATOM 493 CA PRO A 33 -2.541 1.501 13.856 1.00 10.00 C ATOM 494 C PRO A 33 -2.900 0.461 12.778 1.00 10.00 C ATOM 495 O PRO A 33 -4.080 0.196 12.548 1.00 10.00 O ATOM 496 CB PRO A 33 -3.428 2.750 13.756 1.00 10.00 C ATOM 497 CG PRO A 33 -2.620 3.661 12.837 1.00 10.00 C ATOM 498 CD PRO A 33 -1.197 3.400 13.327 1.00 10.00 C ATOM 0 HA PRO A 33 -2.679 0.959 14.791 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -4.408 2.519 13.338 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -3.597 3.206 14.732 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -2.747 3.401 11.786 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -2.905 4.708 12.943 1.00 10.00 H new ATOM 0 HD2 PRO A 33 -0.471 3.581 12.534 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -0.940 4.063 14.153 1.00 10.00 H new ATOM 506 N ARG A 34 -1.900 -0.109 12.097 1.00 10.00 N ATOM 507 CA ARG A 34 -2.016 -1.153 11.087 1.00 10.00 C ATOM 508 C ARG A 34 -1.178 -2.371 11.531 1.00 10.00 C ATOM 509 O ARG A 34 -1.686 -3.492 11.611 1.00 10.00 O ATOM 510 CB ARG A 34 -1.578 -0.560 9.740 1.00 10.00 C ATOM 511 CG ARG A 34 -2.310 0.757 9.403 1.00 10.00 C ATOM 512 CD ARG A 34 -3.785 0.531 9.040 1.00 10.00 C ATOM 513 NE ARG A 34 -4.685 1.280 9.935 1.00 10.00 N ATOM 514 CZ ARG A 34 -6.007 1.110 10.047 1.00 10.00 C ATOM 515 NH1 ARG A 34 -6.696 0.404 9.162 1.00 10.00 N ATOM 516 NH2 ARG A 34 -6.659 1.656 11.065 1.00 10.00 N ATOM 0 H ARG A 34 -0.930 0.167 12.250 1.00 10.00 H new ATOM 0 HA ARG A 34 -3.040 -1.507 10.970 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -0.503 -0.379 9.760 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.764 -1.287 8.950 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -2.248 1.432 10.256 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -1.805 1.248 8.571 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -3.958 0.839 8.009 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -4.016 -0.533 9.098 1.00 10.00 H new ATOM 0 HE ARG A 34 -4.260 1.995 10.525 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -6.219 -0.026 8.370 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -7.704 0.291 9.273 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -6.152 2.204 11.760 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -7.667 1.528 11.153 1.00 10.00 H new ATOM 530 N LEU A 35 0.054 -2.123 12.004 1.00 10.00 N ATOM 531 CA LEU A 35 0.914 -3.077 12.726 1.00 10.00 C ATOM 532 C LEU A 35 0.303 -3.625 14.031 1.00 10.00 C ATOM 533 O LEU A 35 0.921 -4.443 14.708 1.00 10.00 O ATOM 534 CB LEU A 35 2.265 -2.394 13.026 1.00 10.00 C ATOM 535 CG LEU A 35 3.394 -2.931 12.135 1.00 10.00 C ATOM 536 CD1 LEU A 35 4.384 -1.810 11.805 1.00 10.00 C ATOM 537 CD2 LEU A 35 4.126 -4.091 12.818 1.00 10.00 C ATOM 0 H LEU A 35 0.498 -1.212 11.889 1.00 10.00 H new ATOM 0 HA LEU A 35 1.037 -3.943 12.076 1.00 10.00 H new ATOM 0 HB2 LEU A 35 2.168 -1.318 12.878 1.00 10.00 H new ATOM 0 HB3 LEU A 35 2.525 -2.550 14.073 1.00 10.00 H new ATOM 0 HG LEU A 35 2.951 -3.301 11.211 1.00 10.00 H new ATOM 0 HD11 LEU A 35 5.180 -2.202 11.173 1.00 10.00 H new ATOM 0 HD12 LEU A 35 3.865 -1.009 11.279 1.00 10.00 H new ATOM 0 HD13 LEU A 35 4.813 -1.420 12.728 1.00 10.00 H new ATOM 0 HD21 LEU A 35 4.921 -4.454 12.166 1.00 10.00 H new ATOM 0 HD22 LEU A 35 4.556 -3.746 13.758 1.00 10.00 H new ATOM 0 HD23 LEU A 35 3.422 -4.899 13.016 1.00 10.00 H new ATOM 549 N ALA A 36 -0.920 -3.214 14.368 1.00 10.00 N ATOM 550 CA ALA A 36 -1.683 -3.711 15.499 1.00 10.00 C ATOM 551 C ALA A 36 -2.356 -5.036 15.130 1.00 10.00 C ATOM 552 O ALA A 36 -2.624 -5.862 15.998 1.00 10.00 O ATOM 553 CB ALA A 36 -2.719 -2.656 15.893 1.00 10.00 C ATOM 0 H ALA A 36 -1.419 -2.500 13.838 1.00 10.00 H new ATOM 0 HA ALA A 36 -1.025 -3.896 16.348 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -3.300 -3.016 16.742 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -2.211 -1.731 16.167 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -3.385 -2.468 15.051 1.00 10.00 H new ATOM 559 N LYS A 37 -2.633 -5.231 13.833 1.00 10.00 N ATOM 560 CA LYS A 37 -3.153 -6.484 13.304 1.00 10.00 C ATOM 561 C LYS A 37 -2.001 -7.409 12.882 1.00 10.00 C ATOM 562 O LYS A 37 -1.896 -8.532 13.363 1.00 10.00 O ATOM 563 CB LYS A 37 -4.105 -6.190 12.139 1.00 10.00 C ATOM 564 CG LYS A 37 -5.386 -5.455 12.559 1.00 10.00 C ATOM 565 CD LYS A 37 -6.366 -6.389 13.287 1.00 10.00 C ATOM 566 CE LYS A 37 -7.719 -5.689 13.469 1.00 10.00 C ATOM 567 NZ LYS A 37 -8.681 -6.543 14.201 1.00 10.00 N ATOM 0 H LYS A 37 -2.499 -4.513 13.122 1.00 10.00 H new ATOM 0 HA LYS A 37 -3.715 -7.004 14.080 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -3.580 -5.591 11.395 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -4.377 -7.129 11.658 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -5.129 -4.619 13.210 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -5.870 -5.035 11.677 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -6.497 -7.309 12.717 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -5.959 -6.671 14.258 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -7.576 -4.754 14.011 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -8.130 -5.431 12.493 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -9.584 -6.038 14.306 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -8.837 -7.424 13.671 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -8.299 -6.768 15.142 1.00 10.00 H new ATOM 581 N GLY A 38 -1.138 -6.926 11.981 1.00 10.00 N ATOM 582 CA GLY A 38 0.076 -7.626 11.558 1.00 10.00 C ATOM 583 C GLY A 38 0.428 -7.299 10.104 1.00 10.00 C ATOM 584 O GLY A 38 0.668 -6.140 9.780 1.00 10.00 O ATOM 0 H GLY A 38 -1.267 -6.025 11.520 1.00 10.00 H new ATOM 0 HA2 GLY A 38 0.905 -7.345 12.207 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -0.065 -8.701 11.667 1.00 10.00 H new ATOM 588 N VAL A 39 0.388 -8.305 9.225 1.00 10.00 N ATOM 589 CA VAL A 39 0.527 -8.161 7.777 1.00 10.00 C ATOM 590 C VAL A 39 -0.600 -8.878 7.050 1.00 10.00 C ATOM 591 O VAL A 39 -1.464 -9.485 7.680 1.00 10.00 O ATOM 592 CB VAL A 39 1.894 -8.658 7.273 1.00 10.00 C ATOM 593 CG1 VAL A 39 2.826 -7.459 7.202 1.00 10.00 C ATOM 594 CG2 VAL A 39 2.499 -9.784 8.117 1.00 10.00 C ATOM 0 H VAL A 39 0.253 -9.274 9.514 1.00 10.00 H new ATOM 0 HA VAL A 39 0.465 -7.095 7.556 1.00 10.00 H new ATOM 0 HB VAL A 39 1.752 -9.104 6.288 1.00 10.00 H new ATOM 0 HG11 VAL A 39 3.805 -7.780 6.847 1.00 10.00 H new ATOM 0 HG12 VAL A 39 2.416 -6.719 6.515 1.00 10.00 H new ATOM 0 HG13 VAL A 39 2.926 -7.017 8.193 1.00 10.00 H new ATOM 0 HG21 VAL A 39 3.461 -10.078 7.696 1.00 10.00 H new ATOM 0 HG22 VAL A 39 2.642 -9.436 9.140 1.00 10.00 H new ATOM 0 HG23 VAL A 39 1.826 -10.641 8.116 1.00 10.00 H new ATOM 604 N ASP A 40 -0.646 -8.705 5.727 1.00 10.00 N ATOM 605 CA ASP A 40 -1.638 -9.283 4.834 1.00 10.00 C ATOM 606 C ASP A 40 -3.058 -8.668 5.026 1.00 10.00 C ATOM 607 O ASP A 40 -3.817 -8.537 4.068 1.00 10.00 O ATOM 608 CB ASP A 40 -1.512 -10.822 4.860 1.00 10.00 C ATOM 609 CG ASP A 40 -0.061 -11.314 4.707 1.00 10.00 C ATOM 610 OD1 ASP A 40 0.597 -10.985 3.690 1.00 10.00 O ATOM 611 OD2 ASP A 40 0.392 -12.017 5.633 1.00 10.00 O ATOM 0 H ASP A 40 0.039 -8.133 5.233 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.436 -9.002 3.800 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -1.919 -11.198 5.799 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.118 -11.243 4.058 1.00 10.00 H new ATOM 616 N ASN A 41 -3.397 -8.166 6.226 1.00 10.00 N ATOM 617 CA ASN A 41 -4.683 -7.540 6.558 1.00 10.00 C ATOM 618 C ASN A 41 -4.965 -6.253 5.778 1.00 10.00 C ATOM 619 O ASN A 41 -6.121 -5.863 5.646 1.00 10.00 O ATOM 620 CB ASN A 41 -4.786 -7.146 8.048 1.00 10.00 C ATOM 621 CG ASN A 41 -3.812 -7.803 9.013 1.00 10.00 C ATOM 622 OD1 ASN A 41 -2.720 -7.115 9.321 1.00 10.00 O flip ATOM 623 ND2 ASN A 41 -4.066 -8.876 9.539 1.00 10.00 N flip ATOM 0 H ASN A 41 -2.757 -8.187 7.020 1.00 10.00 H new ATOM 0 HA ASN A 41 -5.405 -8.313 6.293 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -4.656 -6.066 8.121 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -5.798 -7.369 8.386 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -4.913 -9.382 9.282 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -3.431 -9.266 10.235 1.00 10.00 H new ATOM 630 N LEU A 42 -3.917 -5.550 5.350 1.00 10.00 N ATOM 631 CA LEU A 42 -4.032 -4.307 4.595 1.00 10.00 C ATOM 632 C LEU A 42 -3.840 -4.554 3.094 1.00 10.00 C ATOM 633 O LEU A 42 -4.576 -3.991 2.281 1.00 10.00 O ATOM 634 CB LEU A 42 -3.033 -3.280 5.132 1.00 10.00 C ATOM 635 CG LEU A 42 -3.428 -2.575 6.449 1.00 10.00 C ATOM 636 CD1 LEU A 42 -4.705 -1.743 6.321 1.00 10.00 C ATOM 637 CD2 LEU A 42 -3.534 -3.505 7.657 1.00 10.00 C ATOM 0 H LEU A 42 -2.952 -5.833 5.521 1.00 10.00 H new ATOM 0 HA LEU A 42 -5.037 -3.906 4.725 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -2.076 -3.779 5.283 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -2.879 -2.518 4.368 1.00 10.00 H new ATOM 0 HG LEU A 42 -2.591 -1.903 6.637 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -4.930 -1.273 7.278 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -4.563 -0.973 5.563 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -5.533 -2.390 6.031 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -3.815 -2.927 8.537 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -4.291 -4.266 7.465 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -2.572 -3.986 7.831 1.00 10.00 H new ATOM 649 N VAL A 43 -2.913 -5.447 2.715 1.00 10.00 N ATOM 650 CA VAL A 43 -2.757 -5.865 1.318 1.00 10.00 C ATOM 651 C VAL A 43 -4.098 -6.381 0.763 1.00 10.00 C ATOM 652 O VAL A 43 -4.447 -6.117 -0.389 1.00 10.00 O ATOM 653 CB VAL A 43 -1.576 -6.848 1.145 1.00 10.00 C ATOM 654 CG1 VAL A 43 -1.990 -8.321 1.191 1.00 10.00 C ATOM 655 CG2 VAL A 43 -0.837 -6.633 -0.184 1.00 10.00 C ATOM 0 H VAL A 43 -2.260 -5.893 3.360 1.00 10.00 H new ATOM 0 HA VAL A 43 -2.488 -5.000 0.712 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.927 -6.629 1.993 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.109 -8.951 1.063 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -2.455 -8.538 2.153 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.701 -8.524 0.390 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.015 -7.345 -0.263 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.528 -6.783 -1.013 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.442 -5.618 -0.221 1.00 10.00 H new ATOM 665 N LYS A 44 -4.919 -7.028 1.608 1.00 10.00 N ATOM 666 CA LYS A 44 -6.288 -7.323 1.199 1.00 10.00 C ATOM 667 C LYS A 44 -7.116 -6.074 0.842 1.00 10.00 C ATOM 668 O LYS A 44 -7.772 -6.055 -0.196 1.00 10.00 O ATOM 669 CB LYS A 44 -7.022 -8.255 2.169 1.00 10.00 C ATOM 670 CG LYS A 44 -6.967 -7.736 3.600 1.00 10.00 C ATOM 671 CD LYS A 44 -8.215 -8.051 4.427 1.00 10.00 C ATOM 672 CE LYS A 44 -9.103 -6.803 4.459 1.00 10.00 C ATOM 673 NZ LYS A 44 -10.414 -7.078 5.081 1.00 10.00 N ATOM 0 H LYS A 44 -4.665 -7.344 2.544 1.00 10.00 H new ATOM 0 HA LYS A 44 -6.181 -7.877 0.266 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -8.062 -8.357 1.859 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -6.577 -9.249 2.125 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -6.097 -8.165 4.097 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -6.822 -6.656 3.578 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -8.757 -8.890 3.991 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -7.935 -8.343 5.439 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -8.597 -6.011 5.012 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -9.252 -6.437 3.443 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -10.986 -6.209 5.084 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -10.908 -7.816 4.539 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -10.273 -7.403 6.059 1.00 10.00 H new ATOM 687 N SER A 45 -7.102 -5.014 1.658 1.00 10.00 N ATOM 688 CA SER A 45 -7.882 -3.814 1.351 1.00 10.00 C ATOM 689 C SER A 45 -7.304 -3.095 0.124 1.00 10.00 C ATOM 690 O SER A 45 -8.032 -2.476 -0.649 1.00 10.00 O ATOM 691 CB SER A 45 -7.970 -2.903 2.579 1.00 10.00 C ATOM 692 OG SER A 45 -8.604 -3.590 3.646 1.00 10.00 O ATOM 0 H SER A 45 -6.566 -4.964 2.524 1.00 10.00 H new ATOM 0 HA SER A 45 -8.901 -4.105 1.097 1.00 10.00 H new ATOM 0 HB2 SER A 45 -6.971 -2.587 2.881 1.00 10.00 H new ATOM 0 HB3 SER A 45 -8.529 -2.000 2.333 1.00 10.00 H new ATOM 0 HG SER A 45 -8.655 -3.002 4.429 1.00 10.00 H new ATOM 698 N VAL A 46 -5.998 -3.236 -0.106 1.00 10.00 N ATOM 699 CA VAL A 46 -5.373 -2.776 -1.339 1.00 10.00 C ATOM 700 C VAL A 46 -5.969 -3.472 -2.562 1.00 10.00 C ATOM 701 O VAL A 46 -6.454 -2.817 -3.488 1.00 10.00 O ATOM 702 CB VAL A 46 -3.857 -2.944 -1.230 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.115 -2.877 -2.564 1.00 10.00 C ATOM 704 CG2 VAL A 46 -3.313 -1.873 -0.300 1.00 10.00 C ATOM 0 H VAL A 46 -5.351 -3.669 0.553 1.00 10.00 H new ATOM 0 HA VAL A 46 -5.581 -1.715 -1.480 1.00 10.00 H new ATOM 0 HB VAL A 46 -3.684 -3.948 -0.842 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -2.046 -3.006 -2.393 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -3.475 -3.669 -3.221 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.294 -1.909 -3.031 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.232 -1.981 -0.213 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -3.548 -0.888 -0.703 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -3.769 -1.980 0.684 1.00 10.00 H new ATOM 714 N LYS A 47 -5.971 -4.806 -2.551 1.00 10.00 N ATOM 715 CA LYS A 47 -6.566 -5.573 -3.638 1.00 10.00 C ATOM 716 C LYS A 47 -8.066 -5.276 -3.797 1.00 10.00 C ATOM 717 O LYS A 47 -8.584 -5.241 -4.907 1.00 10.00 O ATOM 718 CB LYS A 47 -6.197 -7.053 -3.507 1.00 10.00 C ATOM 719 CG LYS A 47 -7.276 -7.925 -2.849 1.00 10.00 C ATOM 720 CD LYS A 47 -6.636 -9.036 -2.011 1.00 10.00 C ATOM 721 CE LYS A 47 -6.650 -10.408 -2.689 1.00 10.00 C ATOM 722 NZ LYS A 47 -8.002 -11.004 -2.634 1.00 10.00 N ATOM 0 H LYS A 47 -5.569 -5.372 -1.804 1.00 10.00 H new ATOM 0 HA LYS A 47 -6.140 -5.250 -4.588 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -5.983 -7.450 -4.499 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -5.278 -7.135 -2.926 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -7.914 -7.308 -2.217 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -7.915 -8.363 -3.616 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -5.605 -8.762 -1.788 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -7.160 -9.107 -1.058 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -6.332 -10.310 -3.727 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -5.935 -11.069 -2.198 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -7.991 -11.934 -3.099 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -8.292 -11.117 -1.642 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -8.676 -10.381 -3.123 1.00 10.00 H new ATOM 736 N THR A 48 -8.751 -5.011 -2.680 1.00 10.00 N ATOM 737 CA THR A 48 -10.190 -4.733 -2.671 1.00 10.00 C ATOM 738 C THR A 48 -10.524 -3.346 -3.236 1.00 10.00 C ATOM 739 O THR A 48 -11.554 -3.185 -3.885 1.00 10.00 O ATOM 740 CB THR A 48 -10.778 -4.938 -1.256 1.00 10.00 C ATOM 741 OG1 THR A 48 -11.925 -5.746 -1.319 1.00 10.00 O ATOM 742 CG2 THR A 48 -11.196 -3.671 -0.503 1.00 10.00 C ATOM 0 H THR A 48 -8.322 -4.983 -1.755 1.00 10.00 H new ATOM 0 HA THR A 48 -10.664 -5.452 -3.339 1.00 10.00 H new ATOM 0 HB THR A 48 -9.949 -5.387 -0.708 1.00 10.00 H new ATOM 0 HG1 THR A 48 -12.288 -5.870 -0.417 1.00 10.00 H new ATOM 0 HG21 THR A 48 -11.593 -3.943 0.475 1.00 10.00 H new ATOM 0 HG22 THR A 48 -10.330 -3.021 -0.376 1.00 10.00 H new ATOM 0 HG23 THR A 48 -11.963 -3.146 -1.072 1.00 10.00 H new ATOM 750 N GLY A 49 -9.671 -2.341 -2.997 1.00 10.00 N ATOM 751 CA GLY A 49 -10.017 -0.950 -3.264 1.00 10.00 C ATOM 752 C GLY A 49 -10.906 -0.379 -2.161 1.00 10.00 C ATOM 753 O GLY A 49 -12.050 -0.791 -1.982 1.00 10.00 O ATOM 0 H GLY A 49 -8.733 -2.473 -2.617 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -9.107 -0.356 -3.345 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -10.531 -0.878 -4.222 1.00 10.00 H new ATOM 757 N LEU A 50 -10.364 0.573 -1.406 1.00 10.00 N ATOM 758 CA LEU A 50 -11.117 1.362 -0.441 1.00 10.00 C ATOM 759 C LEU A 50 -12.001 2.413 -1.168 1.00 10.00 C ATOM 760 O LEU A 50 -12.359 2.226 -2.327 1.00 10.00 O ATOM 761 CB LEU A 50 -10.092 1.945 0.543 1.00 10.00 C ATOM 762 CG LEU A 50 -10.686 2.210 1.935 1.00 10.00 C ATOM 763 CD1 LEU A 50 -10.252 1.141 2.944 1.00 10.00 C ATOM 764 CD2 LEU A 50 -10.203 3.572 2.413 1.00 10.00 C ATOM 0 H LEU A 50 -9.375 0.820 -1.450 1.00 10.00 H new ATOM 0 HA LEU A 50 -11.831 0.766 0.127 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -9.253 1.256 0.637 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -9.696 2.877 0.139 1.00 10.00 H new ATOM 0 HG LEU A 50 -11.773 2.183 1.862 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -10.691 1.360 3.918 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -10.591 0.162 2.605 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -9.165 1.140 3.028 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -10.615 3.778 3.401 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -9.114 3.574 2.466 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -10.533 4.341 1.715 1.00 10.00 H new ATOM 776 N ASN A 51 -12.375 3.529 -0.531 1.00 10.00 N ATOM 777 CA ASN A 51 -13.326 4.483 -1.132 1.00 10.00 C ATOM 778 C ASN A 51 -12.681 5.282 -2.269 1.00 10.00 C ATOM 779 O ASN A 51 -13.030 5.154 -3.438 1.00 10.00 O ATOM 780 CB ASN A 51 -13.899 5.441 -0.071 1.00 10.00 C ATOM 781 CG ASN A 51 -14.186 4.709 1.224 1.00 10.00 C ATOM 782 OD1 ASN A 51 -15.199 4.040 1.373 1.00 10.00 O ATOM 783 ND2 ASN A 51 -13.243 4.773 2.153 1.00 10.00 N ATOM 0 H ASN A 51 -12.039 3.796 0.394 1.00 10.00 H new ATOM 0 HA ASN A 51 -14.144 3.897 -1.550 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -13.192 6.250 0.113 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -14.815 5.898 -0.445 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -13.350 4.254 3.025 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -12.410 5.341 1.996 1.00 10.00 H new ATOM 790 N ALA A 52 -11.711 6.117 -1.894 1.00 10.00 N ATOM 791 CA ALA A 52 -10.892 6.895 -2.812 1.00 10.00 C ATOM 792 C ALA A 52 -9.867 6.023 -3.554 1.00 10.00 C ATOM 793 O ALA A 52 -9.285 6.459 -4.545 1.00 10.00 O ATOM 794 CB ALA A 52 -10.189 7.974 -1.989 1.00 10.00 C ATOM 0 H ALA A 52 -11.470 6.272 -0.915 1.00 10.00 H new ATOM 0 HA ALA A 52 -11.524 7.339 -3.581 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.563 8.581 -2.643 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -10.934 8.609 -1.509 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.568 7.503 -1.227 1.00 10.00 H new ATOM 800 N MET A 53 -9.615 4.808 -3.053 1.00 10.00 N ATOM 801 CA MET A 53 -8.555 3.941 -3.554 1.00 10.00 C ATOM 802 C MET A 53 -9.104 2.848 -4.492 1.00 10.00 C ATOM 803 O MET A 53 -9.902 2.024 -4.050 1.00 10.00 O ATOM 804 CB MET A 53 -7.853 3.346 -2.337 1.00 10.00 C ATOM 805 CG MET A 53 -6.417 2.932 -2.640 1.00 10.00 C ATOM 806 SD MET A 53 -5.599 2.544 -1.088 1.00 10.00 S ATOM 807 CE MET A 53 -5.613 0.748 -1.141 1.00 10.00 C ATOM 0 H MET A 53 -10.147 4.401 -2.284 1.00 10.00 H new ATOM 0 HA MET A 53 -7.849 4.512 -4.157 1.00 10.00 H new ATOM 0 HB2 MET A 53 -7.855 4.075 -1.527 1.00 10.00 H new ATOM 0 HB3 MET A 53 -8.412 2.479 -1.986 1.00 10.00 H new ATOM 0 HG2 MET A 53 -6.404 2.067 -3.302 1.00 10.00 H new ATOM 0 HG3 MET A 53 -5.891 3.736 -3.155 1.00 10.00 H new ATOM 0 HE1 MET A 53 -5.286 0.353 -0.179 1.00 10.00 H new ATOM 0 HE2 MET A 53 -6.623 0.398 -1.353 1.00 10.00 H new ATOM 0 HE3 MET A 53 -4.938 0.402 -1.923 1.00 10.00 H new ATOM 817 N PRO A 54 -8.702 2.807 -5.773 1.00 10.00 N ATOM 818 CA PRO A 54 -9.295 1.893 -6.743 1.00 10.00 C ATOM 819 C PRO A 54 -8.931 0.426 -6.448 1.00 10.00 C ATOM 820 O PRO A 54 -7.898 0.163 -5.826 1.00 10.00 O ATOM 821 CB PRO A 54 -8.786 2.372 -8.107 1.00 10.00 C ATOM 822 CG PRO A 54 -7.453 3.041 -7.777 1.00 10.00 C ATOM 823 CD PRO A 54 -7.686 3.642 -6.393 1.00 10.00 C ATOM 0 HA PRO A 54 -10.384 1.908 -6.706 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -8.657 1.542 -8.801 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -9.481 3.071 -8.572 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -6.634 2.321 -7.769 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -7.197 3.807 -8.509 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -6.767 3.644 -5.806 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -8.020 4.677 -6.466 1.00 10.00 H new ATOM 831 N PRO A 55 -9.772 -0.533 -6.880 1.00 10.00 N ATOM 832 CA PRO A 55 -9.586 -1.958 -6.623 1.00 10.00 C ATOM 833 C PRO A 55 -8.263 -2.448 -7.199 1.00 10.00 C ATOM 834 O PRO A 55 -7.994 -2.236 -8.380 1.00 10.00 O ATOM 835 CB PRO A 55 -10.810 -2.654 -7.233 1.00 10.00 C ATOM 836 CG PRO A 55 -11.279 -1.681 -8.313 1.00 10.00 C ATOM 837 CD PRO A 55 -10.948 -0.317 -7.710 1.00 10.00 C ATOM 0 HA PRO A 55 -9.522 -2.183 -5.558 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -10.550 -3.625 -7.654 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -11.585 -2.828 -6.487 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -10.758 -1.843 -9.257 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -12.345 -1.785 -8.516 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -10.748 0.418 -8.489 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -11.781 0.063 -7.119 1.00 10.00 H new ATOM 845 N GLY A 56 -7.411 -3.063 -6.367 1.00 10.00 N ATOM 846 CA GLY A 56 -6.076 -3.418 -6.812 1.00 10.00 C ATOM 847 C GLY A 56 -5.131 -2.227 -6.727 1.00 10.00 C ATOM 848 O GLY A 56 -4.361 -2.015 -7.653 1.00 10.00 O ATOM 0 H GLY A 56 -7.625 -3.317 -5.403 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -5.692 -4.235 -6.201 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -6.117 -3.780 -7.839 1.00 10.00 H new ATOM 852 N GLY A 57 -5.193 -1.456 -5.631 1.00 10.00 N ATOM 853 CA GLY A 57 -4.392 -0.259 -5.347 1.00 10.00 C ATOM 854 C GLY A 57 -3.706 0.376 -6.560 1.00 10.00 C ATOM 855 O GLY A 57 -2.480 0.478 -6.602 1.00 10.00 O ATOM 0 H GLY A 57 -5.844 -1.666 -4.874 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -5.037 0.488 -4.884 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -3.628 -0.519 -4.614 1.00 10.00 H new ATOM 859 N MET A 58 -4.496 0.756 -7.569 1.00 10.00 N ATOM 860 CA MET A 58 -4.025 1.240 -8.868 1.00 10.00 C ATOM 861 C MET A 58 -3.427 0.120 -9.748 1.00 10.00 C ATOM 862 O MET A 58 -3.831 -0.050 -10.897 1.00 10.00 O ATOM 863 CB MET A 58 -3.086 2.440 -8.653 1.00 10.00 C ATOM 864 CG MET A 58 -3.191 3.504 -9.750 1.00 10.00 C ATOM 865 SD MET A 58 -2.367 3.142 -11.317 1.00 10.00 S ATOM 866 CE MET A 58 -2.987 4.532 -12.281 1.00 10.00 C ATOM 0 H MET A 58 -5.513 0.734 -7.501 1.00 10.00 H new ATOM 0 HA MET A 58 -4.880 1.589 -9.447 1.00 10.00 H new ATOM 0 HB2 MET A 58 -3.311 2.899 -7.690 1.00 10.00 H new ATOM 0 HB3 MET A 58 -2.058 2.082 -8.603 1.00 10.00 H new ATOM 0 HG2 MET A 58 -4.247 3.679 -9.954 1.00 10.00 H new ATOM 0 HG3 MET A 58 -2.783 4.436 -9.359 1.00 10.00 H new ATOM 0 HE1 MET A 58 -2.584 4.482 -13.292 1.00 10.00 H new ATOM 0 HE2 MET A 58 -4.075 4.490 -12.322 1.00 10.00 H new ATOM 0 HE3 MET A 58 -2.678 5.466 -11.813 1.00 10.00 H new ATOM 876 N CYS A 59 -2.477 -0.664 -9.224 1.00 10.00 N ATOM 877 CA CYS A 59 -1.947 -1.840 -9.915 1.00 10.00 C ATOM 878 C CYS A 59 -2.852 -3.081 -9.813 1.00 10.00 C ATOM 879 O CYS A 59 -2.680 -3.941 -8.952 1.00 10.00 O ATOM 880 CB CYS A 59 -0.497 -2.097 -9.496 1.00 10.00 C ATOM 881 SG CYS A 59 -0.110 -2.808 -7.874 1.00 10.00 S ATOM 0 H CYS A 59 -2.056 -0.499 -8.310 1.00 10.00 H new ATOM 0 HA CYS A 59 -1.943 -1.616 -10.982 1.00 10.00 H new ATOM 0 HB2 CYS A 59 -0.059 -2.755 -10.247 1.00 10.00 H new ATOM 0 HB3 CYS A 59 0.029 -1.144 -9.561 1.00 10.00 H new ATOM 886 N THR A 60 -3.803 -3.207 -10.742 1.00 10.00 N ATOM 887 CA THR A 60 -4.629 -4.409 -10.887 1.00 10.00 C ATOM 888 C THR A 60 -3.757 -5.661 -11.076 1.00 10.00 C ATOM 889 O THR A 60 -3.893 -6.644 -10.347 1.00 10.00 O ATOM 890 CB THR A 60 -5.591 -4.236 -12.070 1.00 10.00 C ATOM 891 OG1 THR A 60 -4.834 -4.025 -13.241 1.00 10.00 O ATOM 892 CG2 THR A 60 -6.502 -3.018 -11.889 1.00 10.00 C ATOM 0 H THR A 60 -4.023 -2.475 -11.418 1.00 10.00 H new ATOM 0 HA THR A 60 -5.208 -4.545 -9.974 1.00 10.00 H new ATOM 0 HB THR A 60 -6.205 -5.134 -12.133 1.00 10.00 H new ATOM 0 HG1 THR A 60 -5.437 -3.915 -14.005 1.00 10.00 H new ATOM 0 HG21 THR A 60 -7.168 -2.931 -12.748 1.00 10.00 H new ATOM 0 HG22 THR A 60 -7.094 -3.138 -10.982 1.00 10.00 H new ATOM 0 HG23 THR A 60 -5.893 -2.117 -11.809 1.00 10.00 H new ATOM 900 N ASP A 61 -2.807 -5.595 -12.010 1.00 10.00 N ATOM 901 CA ASP A 61 -1.857 -6.649 -12.335 1.00 10.00 C ATOM 902 C ASP A 61 -0.725 -6.684 -11.291 1.00 10.00 C ATOM 903 O ASP A 61 0.439 -6.441 -11.594 1.00 10.00 O ATOM 904 CB ASP A 61 -1.319 -6.409 -13.754 1.00 10.00 C ATOM 905 CG ASP A 61 -2.421 -6.238 -14.784 1.00 10.00 C ATOM 906 OD1 ASP A 61 -3.125 -7.238 -15.037 1.00 10.00 O ATOM 907 OD2 ASP A 61 -2.534 -5.102 -15.291 1.00 10.00 O ATOM 0 H ASP A 61 -2.677 -4.763 -12.586 1.00 10.00 H new ATOM 0 HA ASP A 61 -2.348 -7.622 -12.309 1.00 10.00 H new ATOM 0 HB2 ASP A 61 -0.689 -5.519 -13.752 1.00 10.00 H new ATOM 0 HB3 ASP A 61 -0.685 -7.247 -14.043 1.00 10.00 H new ATOM 912 N CYS A 62 -1.087 -6.976 -10.044 1.00 10.00 N ATOM 913 CA CYS A 62 -0.161 -7.163 -8.926 1.00 10.00 C ATOM 914 C CYS A 62 -0.476 -8.453 -8.159 1.00 10.00 C ATOM 915 O CYS A 62 -1.585 -8.633 -7.659 1.00 10.00 O ATOM 916 CB CYS A 62 -0.219 -5.942 -8.005 1.00 10.00 C ATOM 917 SG CYS A 62 0.896 -4.588 -8.427 1.00 10.00 S ATOM 0 H CYS A 62 -2.064 -7.093 -9.774 1.00 10.00 H new ATOM 0 HA CYS A 62 0.852 -7.260 -9.317 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -1.240 -5.560 -8.003 1.00 10.00 H new ATOM 0 HB3 CYS A 62 0.002 -6.266 -6.988 1.00 10.00 H new ATOM 922 N THR A 63 0.510 -9.347 -8.052 1.00 10.00 N ATOM 923 CA THR A 63 0.400 -10.632 -7.360 1.00 10.00 C ATOM 924 C THR A 63 0.814 -10.458 -5.899 1.00 10.00 C ATOM 925 O THR A 63 1.771 -9.736 -5.635 1.00 10.00 O ATOM 926 CB THR A 63 1.342 -11.632 -8.049 1.00 10.00 C ATOM 927 OG1 THR A 63 1.129 -11.612 -9.445 1.00 10.00 O ATOM 928 CG2 THR A 63 1.144 -13.069 -7.569 1.00 10.00 C ATOM 0 H THR A 63 1.433 -9.192 -8.456 1.00 10.00 H new ATOM 0 HA THR A 63 -0.626 -10.997 -7.397 1.00 10.00 H new ATOM 0 HB THR A 63 2.354 -11.320 -7.793 1.00 10.00 H new ATOM 0 HG1 THR A 63 1.734 -12.250 -9.877 1.00 10.00 H new ATOM 0 HG21 THR A 63 1.838 -13.726 -8.093 1.00 10.00 H new ATOM 0 HG22 THR A 63 1.332 -13.124 -6.497 1.00 10.00 H new ATOM 0 HG23 THR A 63 0.121 -13.384 -7.775 1.00 10.00 H new ATOM 936 N ASP A 64 0.146 -11.120 -4.947 1.00 10.00 N ATOM 937 CA ASP A 64 0.474 -11.086 -3.524 1.00 10.00 C ATOM 938 C ASP A 64 1.982 -11.191 -3.217 1.00 10.00 C ATOM 939 O ASP A 64 2.470 -10.494 -2.337 1.00 10.00 O ATOM 940 CB ASP A 64 -0.357 -12.164 -2.833 1.00 10.00 C ATOM 941 CG ASP A 64 -1.775 -11.682 -2.550 1.00 10.00 C ATOM 942 OD1 ASP A 64 -1.915 -10.836 -1.641 1.00 10.00 O ATOM 943 OD2 ASP A 64 -2.688 -12.153 -3.259 1.00 10.00 O ATOM 0 H ASP A 64 -0.660 -11.710 -5.155 1.00 10.00 H new ATOM 0 HA ASP A 64 0.217 -10.104 -3.127 1.00 10.00 H new ATOM 0 HB2 ASP A 64 -0.393 -13.055 -3.460 1.00 10.00 H new ATOM 0 HB3 ASP A 64 0.124 -12.452 -1.898 1.00 10.00 H new ATOM 948 N GLU A 65 2.738 -12.006 -3.957 1.00 10.00 N ATOM 949 CA GLU A 65 4.203 -12.040 -3.911 1.00 10.00 C ATOM 950 C GLU A 65 4.829 -10.627 -3.993 1.00 10.00 C ATOM 951 O GLU A 65 5.542 -10.187 -3.089 1.00 10.00 O ATOM 952 CB GLU A 65 4.689 -12.938 -5.061 1.00 10.00 C ATOM 953 CG GLU A 65 4.274 -14.412 -4.872 1.00 10.00 C ATOM 954 CD GLU A 65 5.342 -15.247 -4.174 1.00 10.00 C ATOM 955 OE1 GLU A 65 5.533 -15.027 -2.959 1.00 10.00 O ATOM 956 OE2 GLU A 65 5.940 -16.095 -4.870 1.00 10.00 O ATOM 0 H GLU A 65 2.342 -12.674 -4.618 1.00 10.00 H new ATOM 0 HA GLU A 65 4.524 -12.446 -2.952 1.00 10.00 H new ATOM 0 HB2 GLU A 65 4.285 -12.568 -6.003 1.00 10.00 H new ATOM 0 HB3 GLU A 65 5.775 -12.875 -5.133 1.00 10.00 H new ATOM 0 HG2 GLU A 65 3.352 -14.453 -4.292 1.00 10.00 H new ATOM 0 HG3 GLU A 65 4.057 -14.850 -5.846 1.00 10.00 H new ATOM 963 N ASP A 66 4.537 -9.895 -5.071 1.00 10.00 N ATOM 964 CA ASP A 66 5.053 -8.563 -5.336 1.00 10.00 C ATOM 965 C ASP A 66 4.355 -7.536 -4.434 1.00 10.00 C ATOM 966 O ASP A 66 4.998 -6.647 -3.881 1.00 10.00 O ATOM 967 CB ASP A 66 4.840 -8.264 -6.830 1.00 10.00 C ATOM 968 CG ASP A 66 5.331 -9.400 -7.709 1.00 10.00 C ATOM 969 OD1 ASP A 66 4.530 -10.344 -7.881 1.00 10.00 O ATOM 970 OD2 ASP A 66 6.489 -9.311 -8.164 1.00 10.00 O ATOM 0 H ASP A 66 3.913 -10.231 -5.804 1.00 10.00 H new ATOM 0 HA ASP A 66 6.118 -8.503 -5.110 1.00 10.00 H new ATOM 0 HB2 ASP A 66 3.780 -8.091 -7.018 1.00 10.00 H new ATOM 0 HB3 ASP A 66 5.365 -7.346 -7.095 1.00 10.00 H new ATOM 975 N TYR A 67 3.038 -7.678 -4.247 1.00 10.00 N ATOM 976 CA TYR A 67 2.238 -6.805 -3.407 1.00 10.00 C ATOM 977 C TYR A 67 2.801 -6.794 -1.988 1.00 10.00 C ATOM 978 O TYR A 67 3.175 -5.740 -1.487 1.00 10.00 O ATOM 979 CB TYR A 67 0.772 -7.276 -3.417 1.00 10.00 C ATOM 980 CG TYR A 67 -0.245 -6.423 -4.146 1.00 10.00 C ATOM 981 CD1 TYR A 67 -0.196 -5.019 -4.081 1.00 10.00 C ATOM 982 CD2 TYR A 67 -1.326 -7.053 -4.796 1.00 10.00 C ATOM 983 CE1 TYR A 67 -1.128 -4.255 -4.802 1.00 10.00 C ATOM 984 CE2 TYR A 67 -2.289 -6.281 -5.468 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.160 -4.887 -5.507 1.00 10.00 C ATOM 986 OH TYR A 67 -3.056 -4.137 -6.194 1.00 10.00 O ATOM 0 H TYR A 67 2.496 -8.421 -4.688 1.00 10.00 H new ATOM 0 HA TYR A 67 2.274 -5.788 -3.796 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.745 -8.274 -3.854 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.446 -7.373 -2.382 1.00 10.00 H new ATOM 0 HD1 TYR A 67 0.556 -4.530 -3.479 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.414 -8.129 -4.777 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.049 -3.178 -4.813 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -3.126 -6.761 -5.953 1.00 10.00 H new ATOM 0 HH TYR A 67 -2.824 -4.141 -7.146 1.00 10.00 H new ATOM 996 N LYS A 68 2.904 -7.968 -1.357 1.00 10.00 N ATOM 997 CA LYS A 68 3.363 -8.134 0.015 1.00 10.00 C ATOM 998 C LYS A 68 4.751 -7.524 0.179 1.00 10.00 C ATOM 999 O LYS A 68 4.942 -6.628 0.989 1.00 10.00 O ATOM 1000 CB LYS A 68 3.229 -9.574 0.523 1.00 10.00 C ATOM 1001 CG LYS A 68 4.386 -10.516 0.160 1.00 10.00 C ATOM 1002 CD LYS A 68 4.067 -11.977 0.506 1.00 10.00 C ATOM 1003 CE LYS A 68 4.326 -12.354 1.976 1.00 10.00 C ATOM 1004 NZ LYS A 68 3.568 -11.534 2.956 1.00 10.00 N ATOM 0 H LYS A 68 2.662 -8.852 -1.805 1.00 10.00 H new ATOM 0 HA LYS A 68 2.698 -7.576 0.674 1.00 10.00 H new ATOM 0 HB2 LYS A 68 3.131 -9.550 1.608 1.00 10.00 H new ATOM 0 HB3 LYS A 68 2.304 -9.995 0.129 1.00 10.00 H new ATOM 0 HG2 LYS A 68 4.600 -10.434 -0.906 1.00 10.00 H new ATOM 0 HG3 LYS A 68 5.286 -10.206 0.690 1.00 10.00 H new ATOM 0 HD2 LYS A 68 3.020 -12.173 0.272 1.00 10.00 H new ATOM 0 HD3 LYS A 68 4.663 -12.628 -0.134 1.00 10.00 H new ATOM 0 HE2 LYS A 68 4.069 -13.403 2.121 1.00 10.00 H new ATOM 0 HE3 LYS A 68 5.392 -12.255 2.183 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 3.590 -11.997 3.887 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 4.001 -10.591 3.028 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 2.582 -11.439 2.640 1.00 10.00 H new ATOM 1018 N ALA A 69 5.696 -7.889 -0.687 1.00 10.00 N ATOM 1019 CA ALA A 69 6.984 -7.215 -0.728 1.00 10.00 C ATOM 1020 C ALA A 69 6.851 -5.683 -0.878 1.00 10.00 C ATOM 1021 O ALA A 69 7.644 -4.937 -0.305 1.00 10.00 O ATOM 1022 CB ALA A 69 7.822 -7.856 -1.835 1.00 10.00 C ATOM 0 H ALA A 69 5.591 -8.644 -1.364 1.00 10.00 H new ATOM 0 HA ALA A 69 7.494 -7.346 0.226 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.794 -7.366 -1.885 1.00 10.00 H new ATOM 0 HB2 ALA A 69 7.960 -8.916 -1.620 1.00 10.00 H new ATOM 0 HB3 ALA A 69 7.310 -7.744 -2.790 1.00 10.00 H new ATOM 1028 N ALA A 70 5.835 -5.188 -1.600 1.00 10.00 N ATOM 1029 CA ALA A 70 5.669 -3.764 -1.892 1.00 10.00 C ATOM 1030 C ALA A 70 5.089 -3.014 -0.700 1.00 10.00 C ATOM 1031 O ALA A 70 5.427 -1.856 -0.488 1.00 10.00 O ATOM 1032 CB ALA A 70 4.824 -3.557 -3.153 1.00 10.00 C ATOM 0 H ALA A 70 5.101 -5.773 -1.999 1.00 10.00 H new ATOM 0 HA ALA A 70 6.657 -3.347 -2.084 1.00 10.00 H new ATOM 0 HB1 ALA A 70 4.716 -2.490 -3.347 1.00 10.00 H new ATOM 0 HB2 ALA A 70 5.315 -4.033 -4.002 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.839 -4.001 -3.008 1.00 10.00 H new ATOM 1038 N ILE A 71 4.249 -3.670 0.105 1.00 10.00 N ATOM 1039 CA ILE A 71 3.743 -3.101 1.327 1.00 10.00 C ATOM 1040 C ILE A 71 4.818 -3.207 2.427 1.00 10.00 C ATOM 1041 O ILE A 71 5.196 -2.221 3.062 1.00 10.00 O ATOM 1042 CB ILE A 71 2.370 -3.749 1.605 1.00 10.00 C ATOM 1043 CG1 ILE A 71 1.833 -3.305 2.935 1.00 10.00 C ATOM 1044 CG2 ILE A 71 2.231 -5.261 1.570 1.00 10.00 C ATOM 1045 CD1 ILE A 71 2.287 -4.131 4.136 1.00 10.00 C ATOM 0 H ILE A 71 3.908 -4.612 -0.085 1.00 10.00 H new ATOM 0 HA ILE A 71 3.550 -2.030 1.273 1.00 10.00 H new ATOM 0 HB ILE A 71 1.811 -3.394 0.739 1.00 10.00 H new ATOM 0 HG12 ILE A 71 2.126 -2.268 3.098 1.00 10.00 H new ATOM 0 HG13 ILE A 71 0.744 -3.326 2.893 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.199 -5.537 1.788 1.00 10.00 H new ATOM 0 HG22 ILE A 71 2.503 -5.629 0.581 1.00 10.00 H new ATOM 0 HG23 ILE A 71 2.890 -5.704 2.316 1.00 10.00 H new ATOM 0 HD11 ILE A 71 1.842 -3.726 5.045 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.970 -5.166 4.007 1.00 10.00 H new ATOM 0 HD13 ILE A 71 3.373 -4.092 4.215 1.00 10.00 H new ATOM 1057 N GLU A 72 5.366 -4.413 2.596 1.00 10.00 N ATOM 1058 CA GLU A 72 6.447 -4.723 3.526 1.00 10.00 C ATOM 1059 C GLU A 72 7.667 -3.803 3.327 1.00 10.00 C ATOM 1060 O GLU A 72 8.339 -3.476 4.307 1.00 10.00 O ATOM 1061 CB GLU A 72 6.799 -6.221 3.444 1.00 10.00 C ATOM 1062 CG GLU A 72 5.651 -7.127 3.946 1.00 10.00 C ATOM 1063 CD GLU A 72 5.928 -8.620 3.776 1.00 10.00 C ATOM 1064 OE1 GLU A 72 7.061 -9.027 4.105 1.00 10.00 O ATOM 1065 OE2 GLU A 72 4.996 -9.342 3.351 1.00 10.00 O ATOM 0 H GLU A 72 5.055 -5.228 2.068 1.00 10.00 H new ATOM 0 HA GLU A 72 6.101 -4.522 4.540 1.00 10.00 H new ATOM 0 HB2 GLU A 72 7.037 -6.479 2.412 1.00 10.00 H new ATOM 0 HB3 GLU A 72 7.694 -6.413 4.035 1.00 10.00 H new ATOM 0 HG2 GLU A 72 5.469 -6.918 5.000 1.00 10.00 H new ATOM 0 HG3 GLU A 72 4.738 -6.872 3.409 1.00 10.00 H new ATOM 1072 N PHE A 73 7.925 -3.352 2.088 1.00 10.00 N ATOM 1073 CA PHE A 73 8.941 -2.350 1.764 1.00 10.00 C ATOM 1074 C PHE A 73 8.834 -1.108 2.655 1.00 10.00 C ATOM 1075 O PHE A 73 9.797 -0.749 3.331 1.00 10.00 O ATOM 1076 CB PHE A 73 8.838 -1.947 0.285 1.00 10.00 C ATOM 1077 CG PHE A 73 9.877 -0.925 -0.136 1.00 10.00 C ATOM 1078 CD1 PHE A 73 9.633 0.451 0.039 1.00 10.00 C ATOM 1079 CD2 PHE A 73 11.120 -1.354 -0.636 1.00 10.00 C ATOM 1080 CE1 PHE A 73 10.641 1.389 -0.246 1.00 10.00 C ATOM 1081 CE2 PHE A 73 12.107 -0.412 -0.976 1.00 10.00 C ATOM 1082 CZ PHE A 73 11.871 0.958 -0.769 1.00 10.00 C ATOM 0 H PHE A 73 7.418 -3.685 1.268 1.00 10.00 H new ATOM 0 HA PHE A 73 9.914 -2.804 1.951 1.00 10.00 H new ATOM 0 HB2 PHE A 73 8.944 -2.838 -0.335 1.00 10.00 H new ATOM 0 HB3 PHE A 73 7.844 -1.543 0.095 1.00 10.00 H new ATOM 0 HD1 PHE A 73 8.669 0.787 0.393 1.00 10.00 H new ATOM 0 HD2 PHE A 73 11.317 -2.409 -0.759 1.00 10.00 H new ATOM 0 HE1 PHE A 73 10.470 2.439 -0.063 1.00 10.00 H new ATOM 0 HE2 PHE A 73 13.046 -0.741 -1.396 1.00 10.00 H new ATOM 0 HZ PHE A 73 12.636 1.680 -1.012 1.00 10.00 H new ATOM 1092 N MET A 74 7.673 -0.438 2.651 1.00 10.00 N ATOM 1093 CA MET A 74 7.470 0.725 3.503 1.00 10.00 C ATOM 1094 C MET A 74 7.535 0.297 4.968 1.00 10.00 C ATOM 1095 O MET A 74 8.343 0.803 5.746 1.00 10.00 O ATOM 1096 CB MET A 74 6.118 1.394 3.220 1.00 10.00 C ATOM 1097 CG MET A 74 6.044 2.127 1.868 1.00 10.00 C ATOM 1098 SD MET A 74 5.579 1.169 0.394 1.00 10.00 S ATOM 1099 CE MET A 74 3.775 0.989 0.545 1.00 10.00 C ATOM 0 H MET A 74 6.871 -0.684 2.070 1.00 10.00 H new ATOM 0 HA MET A 74 8.257 1.449 3.290 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.337 0.635 3.252 1.00 10.00 H new ATOM 0 HB3 MET A 74 5.904 2.105 4.018 1.00 10.00 H new ATOM 0 HG2 MET A 74 5.331 2.945 1.972 1.00 10.00 H new ATOM 0 HG3 MET A 74 7.019 2.576 1.679 1.00 10.00 H new ATOM 0 HE1 MET A 74 3.369 0.597 -0.388 1.00 10.00 H new ATOM 0 HE2 MET A 74 3.545 0.301 1.359 1.00 10.00 H new ATOM 0 HE3 MET A 74 3.329 1.961 0.755 1.00 10.00 H new ATOM 1109 N SER A 75 6.671 -0.654 5.334 1.00 10.00 N ATOM 1110 CA SER A 75 6.652 -1.286 6.641 1.00 10.00 C ATOM 1111 C SER A 75 5.568 -2.357 6.617 1.00 10.00 C ATOM 1112 O SER A 75 4.444 -2.074 6.215 1.00 10.00 O ATOM 1113 CB SER A 75 6.394 -0.282 7.781 1.00 10.00 C ATOM 1114 OG SER A 75 7.107 -0.700 8.934 1.00 10.00 O ATOM 0 H SER A 75 5.949 -1.010 4.707 1.00 10.00 H new ATOM 0 HA SER A 75 7.632 -1.721 6.840 1.00 10.00 H new ATOM 0 HB2 SER A 75 6.713 0.717 7.483 1.00 10.00 H new ATOM 0 HB3 SER A 75 5.327 -0.225 7.998 1.00 10.00 H new ATOM 0 HG SER A 75 6.950 -0.065 9.664 1.00 10.00 H new ATOM 1120 N LYS A 76 5.914 -3.574 7.035 1.00 10.00 N ATOM 1121 CA LYS A 76 5.018 -4.714 7.240 1.00 10.00 C ATOM 1122 C LYS A 76 3.768 -4.362 8.073 1.00 10.00 C ATOM 1123 O LYS A 76 3.674 -4.719 9.244 1.00 10.00 O ATOM 1124 CB LYS A 76 5.820 -5.891 7.833 1.00 10.00 C ATOM 1125 CG LYS A 76 6.661 -5.562 9.078 1.00 10.00 C ATOM 1126 CD LYS A 76 8.139 -5.301 8.732 1.00 10.00 C ATOM 1127 CE LYS A 76 8.604 -3.931 9.239 1.00 10.00 C ATOM 1128 NZ LYS A 76 9.895 -3.550 8.629 1.00 10.00 N ATOM 0 H LYS A 76 6.883 -3.805 7.253 1.00 10.00 H new ATOM 0 HA LYS A 76 4.621 -5.015 6.271 1.00 10.00 H new ATOM 0 HB2 LYS A 76 5.124 -6.690 8.088 1.00 10.00 H new ATOM 0 HB3 LYS A 76 6.484 -6.281 7.061 1.00 10.00 H new ATOM 0 HG2 LYS A 76 6.245 -4.684 9.573 1.00 10.00 H new ATOM 0 HG3 LYS A 76 6.596 -6.388 9.786 1.00 10.00 H new ATOM 0 HD2 LYS A 76 8.760 -6.082 9.171 1.00 10.00 H new ATOM 0 HD3 LYS A 76 8.276 -5.355 7.652 1.00 10.00 H new ATOM 0 HE2 LYS A 76 7.851 -3.178 9.005 1.00 10.00 H new ATOM 0 HE3 LYS A 76 8.704 -3.956 10.324 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 10.188 -2.619 8.989 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 10.617 -4.258 8.873 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 9.791 -3.505 7.595 1.00 10.00 H new ATOM 1142 N ALA A 77 2.820 -3.645 7.458 1.00 10.00 N ATOM 1143 CA ALA A 77 1.648 -3.066 8.100 1.00 10.00 C ATOM 1144 C ALA A 77 0.551 -2.639 7.115 1.00 10.00 C ATOM 1145 O ALA A 77 -0.550 -3.171 7.181 1.00 10.00 O ATOM 1146 CB ALA A 77 2.069 -1.890 8.990 1.00 10.00 C ATOM 0 H ALA A 77 2.856 -3.448 6.458 1.00 10.00 H new ATOM 0 HA ALA A 77 1.205 -3.853 8.710 1.00 10.00 H new ATOM 0 HB1 ALA A 77 1.188 -1.461 9.467 1.00 10.00 H new ATOM 0 HB2 ALA A 77 2.761 -2.242 9.755 1.00 10.00 H new ATOM 0 HB3 ALA A 77 2.558 -1.130 8.381 1.00 10.00 H new ATOM 1152 N LYS A 78 0.828 -1.639 6.265 1.00 10.00 N ATOM 1153 CA LYS A 78 -0.181 -0.910 5.478 1.00 10.00 C ATOM 1154 C LYS A 78 0.274 -0.410 4.094 1.00 10.00 C ATOM 1155 O LYS A 78 -0.561 0.086 3.319 1.00 10.00 O ATOM 1156 CB LYS A 78 -0.743 0.219 6.357 1.00 10.00 C ATOM 1157 CG LYS A 78 -0.076 1.589 6.156 1.00 10.00 C ATOM 1158 CD LYS A 78 -0.968 2.519 5.323 1.00 10.00 C ATOM 1159 CE LYS A 78 -2.077 3.140 6.178 1.00 10.00 C ATOM 1160 NZ LYS A 78 -1.508 4.168 7.064 1.00 10.00 N ATOM 1161 OXT LYS A 78 1.475 -0.453 3.823 1.00 10.00 O ATOM 0 H LYS A 78 1.778 -1.307 6.101 1.00 10.00 H new ATOM 0 HA LYS A 78 -0.960 -1.625 5.215 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -1.810 0.318 6.158 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -0.640 -0.069 7.403 1.00 10.00 H new ATOM 0 HG2 LYS A 78 0.125 2.045 7.125 1.00 10.00 H new ATOM 0 HG3 LYS A 78 0.885 1.460 5.659 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -0.361 3.309 4.881 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -1.411 1.959 4.499 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -2.839 3.582 5.536 1.00 10.00 H new ATOM 0 HE3 LYS A 78 -2.568 2.368 6.770 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 -2.093 5.027 7.020 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 -1.489 3.812 8.041 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 -0.540 4.392 6.758 1.00 10.00 H new TER 1175 LYS A 78 HETATM 1176 FE HEC A 90 -3.534 3.660 -0.751 1.00 10.00 FE HETATM 1177 CHA HEC A 90 -5.399 4.121 2.210 1.00 10.00 C HETATM 1178 CHB HEC A 90 -1.923 0.981 0.638 1.00 10.00 C HETATM 1179 CHC HEC A 90 -2.160 3.038 -3.828 1.00 10.00 C HETATM 1180 CHD HEC A 90 -4.950 6.632 -1.968 1.00 10.00 C HETATM 1181 NA HEC A 90 -3.658 2.707 1.079 1.00 10.00 N HETATM 1182 C1A HEC A 90 -4.513 3.038 2.102 1.00 10.00 C HETATM 1183 C2A HEC A 90 -4.331 2.035 3.118 1.00 10.00 C HETATM 1184 C3A HEC A 90 -3.432 1.116 2.641 1.00 10.00 C HETATM 1185 C4A HEC A 90 -2.922 1.606 1.391 1.00 10.00 C HETATM 1186 CMA HEC A 90 -3.224 -0.269 3.186 1.00 10.00 C HETATM 1187 CAA HEC A 90 -5.024 1.948 4.448 1.00 10.00 C HETATM 1188 CBA HEC A 90 -6.403 1.284 4.356 1.00 10.00 C HETATM 1189 CGA HEC A 90 -6.818 0.674 5.685 1.00 10.00 C HETATM 1190 O1A HEC A 90 -6.195 1.052 6.701 1.00 10.00 O HETATM 1191 O2A HEC A 90 -7.720 -0.188 5.666 1.00 10.00 O HETATM 1192 NB HEC A 90 -2.295 2.239 -1.472 1.00 10.00 N HETATM 1193 C1B HEC A 90 -1.693 1.284 -0.705 1.00 10.00 C HETATM 1194 C2B HEC A 90 -0.749 0.585 -1.538 1.00 10.00 C HETATM 1195 C3B HEC A 90 -0.869 1.114 -2.811 1.00 10.00 C HETATM 1196 C4B HEC A 90 -1.836 2.188 -2.754 1.00 10.00 C HETATM 1197 CMB HEC A 90 0.198 -0.507 -1.066 1.00 10.00 C HETATM 1198 CAB HEC A 90 0.019 0.793 -3.990 1.00 10.00 C HETATM 1199 CBB HEC A 90 -0.086 -0.665 -4.458 1.00 10.00 C HETATM 1200 NC HEC A 90 -3.562 4.655 -2.585 1.00 10.00 N HETATM 1201 C1C HEC A 90 -2.950 4.191 -3.706 1.00 10.00 C HETATM 1202 C2C HEC A 90 -3.214 5.145 -4.766 1.00 10.00 C HETATM 1203 C3C HEC A 90 -4.005 6.146 -4.237 1.00 10.00 C HETATM 1204 C4C HEC A 90 -4.199 5.839 -2.840 1.00 10.00 C HETATM 1205 CMC HEC A 90 -2.679 5.096 -6.176 1.00 10.00 C HETATM 1206 CAC HEC A 90 -4.613 7.347 -4.954 1.00 10.00 C HETATM 1207 CBC HEC A 90 -5.050 7.100 -6.397 1.00 10.00 C HETATM 1208 ND HEC A 90 -4.866 5.182 0.032 1.00 10.00 N HETATM 1209 C1D HEC A 90 -5.268 6.269 -0.667 1.00 10.00 C HETATM 1210 C2D HEC A 90 -6.158 7.021 0.178 1.00 10.00 C HETATM 1211 C3D HEC A 90 -6.402 6.266 1.302 1.00 10.00 C HETATM 1212 C4D HEC A 90 -5.511 5.123 1.240 1.00 10.00 C HETATM 1213 CMD HEC A 90 -6.755 8.370 -0.129 1.00 10.00 C HETATM 1214 CAD HEC A 90 -7.498 6.546 2.314 1.00 10.00 C HETATM 1215 CBD HEC A 90 -8.881 6.744 1.662 1.00 10.00 C HETATM 1216 CGD HEC A 90 -10.049 6.681 2.638 1.00 10.00 C HETATM 1217 O1D HEC A 90 -9.786 6.703 3.858 1.00 10.00 O HETATM 1218 O2D HEC A 90 -11.189 6.583 2.130 1.00 10.00 O HETATM 0 HMD3 HEC A 90 -5.956 9.098 -0.272 1.00 10.00 H new HETATM 0 HMD2 HEC A 90 -7.353 8.305 -1.038 1.00 10.00 H new HETATM 0 HMD1 HEC A 90 -7.388 8.685 0.700 1.00 10.00 H new HETATM 0 HMC3 HEC A 90 -1.590 5.127 -6.153 1.00 10.00 H new HETATM 0 HMC2 HEC A 90 -3.006 4.174 -6.657 1.00 10.00 H new HETATM 0 HMC1 HEC A 90 -3.054 5.952 -6.738 1.00 10.00 H new HETATM 0 HMB3 HEC A 90 0.855 -0.109 -0.293 1.00 10.00 H new HETATM 0 HMB2 HEC A 90 -0.379 -1.338 -0.660 1.00 10.00 H new HETATM 0 HMB1 HEC A 90 0.797 -0.857 -1.907 1.00 10.00 H new HETATM 0 HMA3 HEC A 90 -2.920 -0.207 4.231 1.00 10.00 H new HETATM 0 HMA2 HEC A 90 -4.154 -0.833 3.111 1.00 10.00 H new HETATM 0 HMA1 HEC A 90 -2.447 -0.773 2.611 1.00 10.00 H new HETATM 0 HBD2 HEC A 90 -8.897 7.710 1.157 1.00 10.00 H new HETATM 0 HBD1 HEC A 90 -9.021 5.981 0.896 1.00 10.00 H new HETATM 0 HBC3 HEC A 90 -4.189 6.792 -6.990 1.00 10.00 H new HETATM 0 HBC2 HEC A 90 -5.806 6.315 -6.419 1.00 10.00 H new HETATM 0 HBC1 HEC A 90 -5.468 8.017 -6.813 1.00 10.00 H new HETATM 0 HBB3 HEC A 90 0.201 -1.330 -3.644 1.00 10.00 H new HETATM 0 HBB2 HEC A 90 -1.113 -0.878 -4.756 1.00 10.00 H new HETATM 0 HBB1 HEC A 90 0.579 -0.823 -5.307 1.00 10.00 H new HETATM 0 HBA2 HEC A 90 -7.143 2.022 4.046 1.00 10.00 H new HETATM 0 HBA1 HEC A 90 -6.385 0.510 3.589 1.00 10.00 H new HETATM 0 HAD2 HEC A 90 -7.551 5.719 3.022 1.00 10.00 H new HETATM 0 HAD1 HEC A 90 -7.240 7.438 2.884 1.00 10.00 H new HETATM 0 HAA2 HEC A 90 -4.400 1.385 5.142 1.00 10.00 H new HETATM 0 HAA1 HEC A 90 -5.135 2.951 4.861 1.00 10.00 H new HETATM 0 HHD HEC A 90 -5.308 7.595 -2.332 1.00 10.00 H new HETATM 0 HHC HEC A 90 -1.773 2.785 -4.815 1.00 10.00 H new HETATM 0 HHB HEC A 90 -1.299 0.227 1.119 1.00 10.00 H new HETATM 0 HHA HEC A 90 -6.032 4.185 3.095 1.00 10.00 H new HETATM 0 H2D HEC A 90 -11.819 7.143 2.630 1.00 10.00 H new HETATM 0 H2A HEC A 90 -7.867 -0.528 6.573 1.00 10.00 H new