USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 557 hydrogens (30 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 39 HIS HE2 : A 39 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD Set 1.1: A 49 GLN : amide:sc= -0.184 K(o=-2.1,f=-3.2!) USER MOD Set 1.2: A 57 ASN : amide:sc= -1.92 K(o=-2.1,f=-0.26) USER MOD Set 2.1: A 45 HIS : no HE2:sc= 0.984 K(o=0.083,f=-6.1!) USER MOD Set 2.2: A 201 HEM CMD :methyl 150:sc= -0.9 (180deg=-0.769) USER MOD Set 3.1: A 15 HIS : no HD1:sc= -0.0382 K(o=0.55,f=-6.6!) USER MOD Set 3.2: A 20 SER OG : rot 165:sc= 0.588 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc=-0.00321 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.155 X(o=-0.15,f=-0.42) USER MOD Single : A 14 LYS NZ :NH3+ -179:sc= 1.17 (180deg=1.17) USER MOD Single : A 16 ASN : amide:sc= -0.33 K(o=-0.33,f=-1.5) USER MOD Single : A 17 ASN : amide:sc= 0.681 K(o=0.68,f=-5.5!) USER MOD Single : A 18 SER OG : rot 180:sc= -0.373 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 38:sc= 0.422 USER MOD Single : A 26 HIS : no HE2:sc= -0.312 K(o=-0.31,f=-6.2!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 176:sc= 1.06 (180deg=0.853) USER MOD Single : A 30 TYR OH : rot 19:sc= 1.09 USER MOD Single : A 33 THR OG1 : rot 98:sc= 1.78 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 37:sc= 1.05 USER MOD Single : A 64 SER OG : rot 75:sc= 0.677 USER MOD Single : A 65 THR OG1 : rot 84:sc= 1.22 USER MOD Single : A 71 SER OG : rot -58:sc= 1.21 USER MOD Single : A 72 LYS NZ :NH3+ -178:sc= 1.1 (180deg=1.02) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-7!) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.0301 (180deg=-0.545) USER MOD Single : A 201 HEM CMB :methyl 150:sc= -2.49 (180deg=-2.49) USER MOD Single : A 201 HEM CMC :methyl -30:sc= -0.0201 (180deg=-1.09) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 1.822 -1.773 -20.209 1.00 0.00 N ATOM 2 CA ALA A 3 0.909 -1.619 -19.052 1.00 0.00 C ATOM 3 C ALA A 3 1.715 -1.361 -17.773 1.00 0.00 C ATOM 4 O ALA A 3 2.939 -1.309 -17.850 1.00 0.00 O ATOM 5 CB ALA A 3 0.017 -2.860 -18.913 1.00 0.00 C ATOM 0 HA ALA A 3 0.261 -0.758 -19.218 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.649 -2.735 -18.060 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -0.574 -2.986 -19.820 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.640 -3.741 -18.761 1.00 0.00 H new ATOM 13 N VAL A 4 1.054 -1.209 -16.621 1.00 0.00 N ATOM 14 CA VAL A 4 1.734 -1.174 -15.324 1.00 0.00 C ATOM 15 C VAL A 4 2.438 -2.510 -15.036 1.00 0.00 C ATOM 16 O VAL A 4 2.132 -3.529 -15.651 1.00 0.00 O ATOM 17 CB VAL A 4 0.718 -0.810 -14.225 1.00 0.00 C ATOM 18 CG1 VAL A 4 -0.329 -1.906 -14.014 1.00 0.00 C ATOM 19 CG2 VAL A 4 1.356 -0.460 -12.878 1.00 0.00 C ATOM 0 H VAL A 4 0.041 -1.108 -16.562 1.00 0.00 H new ATOM 0 HA VAL A 4 2.510 -0.409 -15.342 1.00 0.00 H new ATOM 0 HB VAL A 4 0.231 0.089 -14.603 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.022 -1.601 -13.229 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.879 -2.067 -14.941 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.167 -2.831 -13.721 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.575 -0.216 -12.158 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.930 -1.312 -12.515 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.018 0.398 -13.001 1.00 0.00 H new ATOM 29 N LYS A 5 3.373 -2.511 -14.084 1.00 0.00 N ATOM 30 CA LYS A 5 4.070 -3.720 -13.661 1.00 0.00 C ATOM 31 C LYS A 5 3.163 -4.759 -13.011 1.00 0.00 C ATOM 32 O LYS A 5 3.353 -5.943 -13.275 1.00 0.00 O ATOM 33 CB LYS A 5 5.264 -3.328 -12.776 1.00 0.00 C ATOM 34 CG LYS A 5 5.900 -4.552 -12.104 1.00 0.00 C ATOM 35 CD LYS A 5 7.348 -4.296 -11.668 1.00 0.00 C ATOM 36 CE LYS A 5 8.330 -4.430 -12.838 1.00 0.00 C ATOM 37 NZ LYS A 5 9.727 -4.265 -12.383 1.00 0.00 N ATOM 0 H LYS A 5 3.666 -1.671 -13.586 1.00 0.00 H new ATOM 0 HA LYS A 5 4.441 -4.225 -14.553 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.012 -2.815 -13.381 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.935 -2.624 -12.012 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.307 -4.834 -11.234 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.875 -5.395 -12.794 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.427 -3.296 -11.240 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.621 -5.001 -10.883 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.210 -5.407 -13.307 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.101 -3.682 -13.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.370 -4.360 -13.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.844 -3.324 -11.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.951 -4.995 -11.677 1.00 0.00 H new ATOM 47 N TYR A 6 2.216 -4.316 -12.176 1.00 0.00 N ATOM 48 CA TYR A 6 1.419 -5.186 -11.305 1.00 0.00 C ATOM 49 C TYR A 6 2.281 -5.926 -10.275 1.00 0.00 C ATOM 50 O TYR A 6 3.444 -6.242 -10.513 1.00 0.00 O ATOM 51 CB TYR A 6 0.610 -6.204 -12.116 1.00 0.00 C ATOM 52 CG TYR A 6 -0.243 -5.644 -13.245 1.00 0.00 C ATOM 53 CD1 TYR A 6 -1.482 -5.041 -12.974 1.00 0.00 C ATOM 54 CD2 TYR A 6 0.185 -5.771 -14.581 1.00 0.00 C ATOM 55 CE1 TYR A 6 -2.295 -4.575 -14.021 1.00 0.00 C ATOM 56 CE2 TYR A 6 -0.617 -5.286 -15.628 1.00 0.00 C ATOM 57 CZ TYR A 6 -1.855 -4.690 -15.349 1.00 0.00 C ATOM 58 OH TYR A 6 -2.602 -4.176 -16.363 1.00 0.00 O ATOM 0 H TYR A 6 1.979 -3.328 -12.085 1.00 0.00 H new ATOM 0 HA TYR A 6 0.734 -4.529 -10.769 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.302 -6.932 -12.539 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.042 -6.746 -11.431 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.813 -4.934 -11.952 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.132 -6.242 -14.801 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.255 -4.130 -13.805 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.279 -5.373 -16.650 1.00 0.00 H new ATOM 0 HH TYR A 6 -2.152 -4.342 -17.218 1.00 0.00 H new ATOM 67 N TYR A 7 1.699 -6.226 -9.118 1.00 0.00 N ATOM 68 CA TYR A 7 2.322 -7.100 -8.143 1.00 0.00 C ATOM 69 C TYR A 7 1.242 -7.981 -7.534 1.00 0.00 C ATOM 70 O TYR A 7 0.323 -7.483 -6.895 1.00 0.00 O ATOM 71 CB TYR A 7 3.058 -6.280 -7.086 1.00 0.00 C ATOM 72 CG TYR A 7 4.126 -5.358 -7.636 1.00 0.00 C ATOM 73 CD1 TYR A 7 5.440 -5.830 -7.785 1.00 0.00 C ATOM 74 CD2 TYR A 7 3.801 -4.053 -8.054 1.00 0.00 C ATOM 75 CE1 TYR A 7 6.466 -4.938 -8.135 1.00 0.00 C ATOM 76 CE2 TYR A 7 4.808 -3.213 -8.559 1.00 0.00 C ATOM 77 CZ TYR A 7 6.149 -3.618 -8.485 1.00 0.00 C ATOM 78 OH TYR A 7 7.146 -2.738 -8.769 1.00 0.00 O ATOM 0 H TYR A 7 0.786 -5.869 -8.835 1.00 0.00 H new ATOM 0 HA TYR A 7 3.068 -7.736 -8.620 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.330 -5.684 -6.535 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.518 -6.962 -6.371 1.00 0.00 H new ATOM 0 HD1 TYR A 7 5.661 -6.876 -7.631 1.00 0.00 H new ATOM 0 HD2 TYR A 7 2.783 -3.700 -7.987 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.495 -5.267 -8.135 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.551 -2.262 -9.001 1.00 0.00 H new ATOM 0 HH TYR A 7 6.759 -1.866 -8.994 1.00 0.00 H new ATOM 87 N THR A 8 1.331 -9.288 -7.761 1.00 0.00 N ATOM 88 CA THR A 8 0.379 -10.233 -7.180 1.00 0.00 C ATOM 89 C THR A 8 0.433 -10.124 -5.665 1.00 0.00 C ATOM 90 O THR A 8 1.494 -9.903 -5.083 1.00 0.00 O ATOM 91 CB THR A 8 0.671 -11.675 -7.611 1.00 0.00 C ATOM 92 OG1 THR A 8 1.966 -12.060 -7.199 1.00 0.00 O ATOM 93 CG2 THR A 8 0.541 -11.845 -9.124 1.00 0.00 C ATOM 0 H THR A 8 2.051 -9.718 -8.342 1.00 0.00 H new ATOM 0 HA THR A 8 -0.618 -9.980 -7.542 1.00 0.00 H new ATOM 0 HB THR A 8 -0.068 -12.316 -7.130 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.138 -12.983 -7.480 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.755 -12.879 -9.394 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.473 -11.592 -9.433 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.249 -11.185 -9.626 1.00 0.00 H new ATOM 101 N LEU A 9 -0.708 -10.291 -5.011 1.00 0.00 N ATOM 102 CA LEU A 9 -0.838 -10.323 -3.566 1.00 0.00 C ATOM 103 C LEU A 9 0.136 -11.313 -2.928 1.00 0.00 C ATOM 104 O LEU A 9 0.532 -11.116 -1.792 1.00 0.00 O ATOM 105 CB LEU A 9 -2.250 -10.758 -3.270 1.00 0.00 C ATOM 106 CG LEU A 9 -2.751 -10.542 -1.833 1.00 0.00 C ATOM 107 CD1 LEU A 9 -2.994 -9.061 -1.526 1.00 0.00 C ATOM 108 CD2 LEU A 9 -4.067 -11.309 -1.662 1.00 0.00 C ATOM 0 H LEU A 9 -1.599 -10.412 -5.492 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.612 -9.339 -3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.919 -10.227 -3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.336 -11.819 -3.505 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.987 -10.902 -1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.347 -8.955 -0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.064 -8.507 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.745 -8.666 -2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.441 -11.169 -0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.802 -10.934 -2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.896 -12.370 -1.842 1.00 0.00 H new ATOM 119 N GLU A 10 0.518 -12.384 -3.633 1.00 0.00 N ATOM 120 CA GLU A 10 1.635 -13.217 -3.192 1.00 0.00 C ATOM 121 C GLU A 10 2.860 -12.329 -2.907 1.00 0.00 C ATOM 122 O GLU A 10 3.445 -12.395 -1.828 1.00 0.00 O ATOM 123 CB GLU A 10 1.965 -14.321 -4.218 1.00 0.00 C ATOM 124 CG GLU A 10 3.436 -14.744 -4.021 1.00 0.00 C ATOM 125 CD GLU A 10 3.808 -16.182 -4.337 1.00 0.00 C ATOM 126 OE1 GLU A 10 3.053 -16.860 -5.060 1.00 0.00 O ATOM 127 OE2 GLU A 10 4.881 -16.552 -3.803 1.00 0.00 O ATOM 0 H GLU A 10 0.075 -12.689 -4.500 1.00 0.00 H new ATOM 0 HA GLU A 10 1.346 -13.725 -2.272 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.303 -15.176 -4.081 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.808 -13.955 -5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.057 -14.094 -4.638 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.704 -14.549 -2.983 1.00 0.00 H new ATOM 132 N GLU A 11 3.244 -11.497 -3.872 1.00 0.00 N ATOM 133 CA GLU A 11 4.303 -10.518 -3.704 1.00 0.00 C ATOM 134 C GLU A 11 3.928 -9.538 -2.610 1.00 0.00 C ATOM 135 O GLU A 11 4.658 -9.398 -1.640 1.00 0.00 O ATOM 136 CB GLU A 11 4.621 -9.807 -5.029 1.00 0.00 C ATOM 137 CG GLU A 11 6.070 -9.287 -5.048 1.00 0.00 C ATOM 138 CD GLU A 11 7.100 -10.374 -5.345 1.00 0.00 C ATOM 139 OE1 GLU A 11 7.380 -11.176 -4.426 1.00 0.00 O ATOM 140 OE2 GLU A 11 7.592 -10.380 -6.492 1.00 0.00 O ATOM 0 H GLU A 11 2.821 -11.487 -4.800 1.00 0.00 H new ATOM 0 HA GLU A 11 5.215 -11.033 -3.401 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.468 -10.496 -5.860 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.931 -8.975 -5.173 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.156 -8.500 -5.798 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.298 -8.834 -4.083 1.00 0.00 H new ATOM 145 N ILE A 12 2.759 -8.907 -2.701 1.00 0.00 N ATOM 146 CA ILE A 12 2.355 -7.939 -1.684 1.00 0.00 C ATOM 147 C ILE A 12 2.454 -8.517 -0.259 1.00 0.00 C ATOM 148 O ILE A 12 2.966 -7.858 0.646 1.00 0.00 O ATOM 149 CB ILE A 12 0.984 -7.310 -1.997 1.00 0.00 C ATOM 150 CG1 ILE A 12 0.731 -6.998 -3.486 1.00 0.00 C ATOM 151 CG2 ILE A 12 0.856 -5.975 -1.262 1.00 0.00 C ATOM 152 CD1 ILE A 12 -0.698 -6.523 -3.739 1.00 0.00 C ATOM 0 H ILE A 12 2.085 -9.045 -3.454 1.00 0.00 H new ATOM 0 HA ILE A 12 3.071 -7.118 -1.717 1.00 0.00 H new ATOM 0 HB ILE A 12 0.261 -8.061 -1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.431 -6.232 -3.819 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.927 -7.890 -4.081 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.114 -5.529 -1.483 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.943 -6.141 -0.188 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.648 -5.302 -1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.830 -6.315 -4.801 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.399 -7.299 -3.431 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.887 -5.615 -3.166 1.00 0.00 H new ATOM 163 N GLN A 13 2.102 -9.793 -0.076 1.00 0.00 N ATOM 164 CA GLN A 13 2.221 -10.460 1.225 1.00 0.00 C ATOM 165 C GLN A 13 3.648 -10.489 1.774 1.00 0.00 C ATOM 166 O GLN A 13 3.851 -10.580 2.983 1.00 0.00 O ATOM 167 CB GLN A 13 1.729 -11.906 1.132 1.00 0.00 C ATOM 168 CG GLN A 13 0.214 -12.009 1.358 1.00 0.00 C ATOM 169 CD GLN A 13 -0.217 -11.581 2.758 1.00 0.00 C ATOM 170 OE1 GLN A 13 0.471 -11.825 3.740 1.00 0.00 O ATOM 171 NE2 GLN A 13 -1.361 -10.923 2.874 1.00 0.00 N ATOM 0 H GLN A 13 1.730 -10.388 -0.817 1.00 0.00 H new ATOM 0 HA GLN A 13 1.607 -9.871 1.906 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.979 -12.312 0.152 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.249 -12.515 1.871 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.299 -11.390 0.622 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.103 -13.038 1.186 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.923 -10.727 2.046 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.680 -10.612 3.792 1.00 0.00 H new ATOM 178 N LYS A 14 4.642 -10.459 0.890 1.00 0.00 N ATOM 179 CA LYS A 14 6.038 -10.509 1.269 1.00 0.00 C ATOM 180 C LYS A 14 6.550 -9.130 1.754 1.00 0.00 C ATOM 181 O LYS A 14 7.672 -9.033 2.252 1.00 0.00 O ATOM 182 CB LYS A 14 6.843 -10.998 0.055 1.00 0.00 C ATOM 183 CG LYS A 14 6.532 -12.438 -0.386 1.00 0.00 C ATOM 184 CD LYS A 14 7.412 -12.808 -1.598 1.00 0.00 C ATOM 185 CE LYS A 14 6.713 -13.651 -2.681 1.00 0.00 C ATOM 186 NZ LYS A 14 6.226 -14.955 -2.189 1.00 0.00 N ATOM 0 H LYS A 14 4.492 -10.399 -0.117 1.00 0.00 H new ATOM 0 HA LYS A 14 6.163 -11.196 2.106 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.654 -10.327 -0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.905 -10.925 0.288 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.718 -13.129 0.436 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.478 -12.530 -0.647 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.778 -11.889 -2.055 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.284 -13.355 -1.240 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.872 -13.086 -3.083 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.407 -13.819 -3.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.782 -15.477 -2.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.025 -15.505 -1.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.527 -14.802 -1.434 1.00 0.00 H new ATOM 196 N HIS A 15 5.754 -8.060 1.592 1.00 0.00 N ATOM 197 CA HIS A 15 6.126 -6.682 1.917 1.00 0.00 C ATOM 198 C HIS A 15 5.159 -6.053 2.935 1.00 0.00 C ATOM 199 O HIS A 15 4.243 -5.314 2.582 1.00 0.00 O ATOM 200 CB HIS A 15 6.171 -5.860 0.627 1.00 0.00 C ATOM 201 CG HIS A 15 7.161 -6.339 -0.416 1.00 0.00 C ATOM 202 ND1 HIS A 15 8.496 -6.002 -0.549 1.00 0.00 N ATOM 203 CD2 HIS A 15 6.837 -7.107 -1.498 1.00 0.00 C ATOM 204 CE1 HIS A 15 8.950 -6.569 -1.678 1.00 0.00 C ATOM 205 NE2 HIS A 15 7.980 -7.261 -2.287 1.00 0.00 N ATOM 0 H HIS A 15 4.807 -8.137 1.220 1.00 0.00 H new ATOM 0 HA HIS A 15 7.111 -6.687 2.383 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.175 -5.857 0.184 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.410 -4.828 0.882 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.863 -7.524 -1.708 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.962 -6.479 -2.045 1.00 0.00 H new ATOM 0 HE2 HIS A 15 8.059 -7.794 -3.153 1.00 0.00 H new ATOM 212 N ASN A 16 5.400 -6.316 4.219 1.00 0.00 N ATOM 213 CA ASN A 16 4.566 -5.849 5.330 1.00 0.00 C ATOM 214 C ASN A 16 5.330 -5.713 6.656 1.00 0.00 C ATOM 215 O ASN A 16 4.798 -6.016 7.721 1.00 0.00 O ATOM 216 CB ASN A 16 3.340 -6.765 5.454 1.00 0.00 C ATOM 217 CG ASN A 16 3.699 -8.246 5.413 1.00 0.00 C ATOM 218 OD1 ASN A 16 4.819 -8.649 5.708 1.00 0.00 O ATOM 219 ND2 ASN A 16 2.764 -9.068 4.963 1.00 0.00 N ATOM 0 H ASN A 16 6.199 -6.872 4.524 1.00 0.00 H new ATOM 0 HA ASN A 16 4.237 -4.835 5.102 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.823 -6.547 6.389 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.643 -6.543 4.646 1.00 0.00 H new ATOM 0 HD21 ASN A 16 2.968 -10.062 4.855 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.840 -8.708 4.725 1.00 0.00 H new ATOM 225 N ASN A 17 6.572 -5.216 6.616 1.00 0.00 N ATOM 226 CA ASN A 17 7.301 -4.845 7.827 1.00 0.00 C ATOM 227 C ASN A 17 8.339 -3.759 7.485 1.00 0.00 C ATOM 228 O ASN A 17 8.297 -3.188 6.396 1.00 0.00 O ATOM 229 CB ASN A 17 7.908 -6.126 8.441 1.00 0.00 C ATOM 230 CG ASN A 17 8.216 -6.015 9.931 1.00 0.00 C ATOM 231 OD1 ASN A 17 8.334 -4.927 10.482 1.00 0.00 O ATOM 232 ND2 ASN A 17 8.376 -7.141 10.609 1.00 0.00 N ATOM 0 H ASN A 17 7.092 -5.062 5.752 1.00 0.00 H new ATOM 0 HA ASN A 17 6.646 -4.409 8.581 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.217 -6.954 8.284 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.826 -6.372 7.908 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.601 -7.110 11.603 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.275 -8.039 10.137 1.00 0.00 H new ATOM 238 N SER A 18 9.311 -3.498 8.364 1.00 0.00 N ATOM 239 CA SER A 18 10.485 -2.683 8.039 1.00 0.00 C ATOM 240 C SER A 18 11.179 -3.211 6.767 1.00 0.00 C ATOM 241 O SER A 18 11.785 -2.447 6.023 1.00 0.00 O ATOM 242 CB SER A 18 11.424 -2.650 9.245 1.00 0.00 C ATOM 243 OG SER A 18 10.678 -2.277 10.395 1.00 0.00 O ATOM 0 H SER A 18 9.306 -3.847 9.323 1.00 0.00 H new ATOM 0 HA SER A 18 10.178 -1.660 7.822 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.883 -3.628 9.393 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.234 -1.941 9.074 1.00 0.00 H new ATOM 0 HG SER A 18 11.270 -2.254 11.176 1.00 0.00 H new ATOM 248 N LYS A 19 11.047 -4.527 6.532 1.00 0.00 N ATOM 249 CA LYS A 19 11.316 -5.246 5.284 1.00 0.00 C ATOM 250 C LYS A 19 11.069 -4.356 4.064 1.00 0.00 C ATOM 251 O LYS A 19 11.930 -4.116 3.218 1.00 0.00 O ATOM 252 CB LYS A 19 10.271 -6.388 5.251 1.00 0.00 C ATOM 253 CG LYS A 19 10.060 -7.127 3.917 1.00 0.00 C ATOM 254 CD LYS A 19 11.338 -7.587 3.205 1.00 0.00 C ATOM 255 CE LYS A 19 10.932 -8.219 1.865 1.00 0.00 C ATOM 256 NZ LYS A 19 12.106 -8.527 1.024 1.00 0.00 N ATOM 0 H LYS A 19 10.726 -5.159 7.266 1.00 0.00 H new ATOM 0 HA LYS A 19 12.351 -5.586 5.250 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.556 -7.125 6.001 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.311 -5.974 5.560 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.434 -8.000 4.101 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.506 -6.473 3.244 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.008 -6.743 3.041 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.878 -8.308 3.819 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.368 -9.133 2.051 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.269 -7.539 1.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.790 -8.952 0.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.630 -7.651 0.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.726 -9.195 1.525 1.00 0.00 H new ATOM 266 N SER A 20 9.805 -3.962 3.997 1.00 0.00 N ATOM 267 CA SER A 20 9.094 -3.213 2.980 1.00 0.00 C ATOM 268 C SER A 20 7.659 -3.132 3.507 1.00 0.00 C ATOM 269 O SER A 20 7.178 -4.137 4.031 1.00 0.00 O ATOM 270 CB SER A 20 9.033 -3.954 1.642 1.00 0.00 C ATOM 271 OG SER A 20 10.252 -4.503 1.177 1.00 0.00 O ATOM 0 H SER A 20 9.172 -4.195 4.762 1.00 0.00 H new ATOM 0 HA SER A 20 9.586 -2.256 2.806 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.305 -4.761 1.730 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.656 -3.265 0.886 1.00 0.00 H new ATOM 0 HG SER A 20 10.069 -5.149 0.463 1.00 0.00 H new ATOM 276 N THR A 21 6.970 -2.003 3.378 1.00 0.00 N ATOM 277 CA THR A 21 5.573 -1.879 3.799 1.00 0.00 C ATOM 278 C THR A 21 4.708 -1.538 2.595 1.00 0.00 C ATOM 279 O THR A 21 4.557 -0.365 2.256 1.00 0.00 O ATOM 280 CB THR A 21 5.454 -0.847 4.928 1.00 0.00 C ATOM 281 OG1 THR A 21 6.032 -1.408 6.094 1.00 0.00 O ATOM 282 CG2 THR A 21 4.015 -0.428 5.242 1.00 0.00 C ATOM 0 H THR A 21 7.360 -1.149 2.980 1.00 0.00 H new ATOM 0 HA THR A 21 5.214 -2.827 4.199 1.00 0.00 H new ATOM 0 HB THR A 21 5.969 0.055 4.597 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.821 -1.934 5.847 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.017 0.303 6.051 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.563 0.014 4.354 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.439 -1.303 5.545 1.00 0.00 H new ATOM 290 N TRP A 22 4.144 -2.576 1.966 1.00 0.00 N ATOM 291 CA TRP A 22 3.171 -2.428 0.897 1.00 0.00 C ATOM 292 C TRP A 22 1.761 -2.320 1.405 1.00 0.00 C ATOM 293 O TRP A 22 1.479 -2.594 2.558 1.00 0.00 O ATOM 294 CB TRP A 22 3.340 -3.482 -0.206 1.00 0.00 C ATOM 295 CG TRP A 22 4.592 -3.436 -1.024 1.00 0.00 C ATOM 296 CD1 TRP A 22 5.679 -2.676 -0.783 1.00 0.00 C ATOM 297 CD2 TRP A 22 4.909 -4.201 -2.224 1.00 0.00 C ATOM 298 NE1 TRP A 22 6.627 -2.895 -1.757 1.00 0.00 N ATOM 299 CE2 TRP A 22 6.208 -3.833 -2.677 1.00 0.00 C ATOM 300 CE3 TRP A 22 4.216 -5.153 -2.996 1.00 0.00 C ATOM 301 CZ2 TRP A 22 6.763 -4.374 -3.849 1.00 0.00 C ATOM 302 CZ3 TRP A 22 4.828 -5.814 -4.063 1.00 0.00 C ATOM 303 CH2 TRP A 22 6.076 -5.390 -4.525 1.00 0.00 C ATOM 0 H TRP A 22 4.357 -3.547 2.193 1.00 0.00 H new ATOM 0 HA TRP A 22 3.383 -1.470 0.422 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.278 -4.466 0.258 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.492 -3.396 -0.885 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.790 -1.997 0.050 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.529 -2.421 -1.794 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.187 -5.377 -2.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.708 -4.011 -4.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.336 -6.654 -4.531 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.511 -5.845 -5.403 1.00 0.00 H new ATOM 313 N LEU A 23 0.877 -1.861 0.535 1.00 0.00 N ATOM 314 CA LEU A 23 -0.526 -1.800 0.818 1.00 0.00 C ATOM 315 C LEU A 23 -1.345 -1.708 -0.467 1.00 0.00 C ATOM 316 O LEU A 23 -0.765 -1.453 -1.520 1.00 0.00 O ATOM 317 CB LEU A 23 -0.864 -0.652 1.774 1.00 0.00 C ATOM 318 CG LEU A 23 0.022 0.428 2.406 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.733 1.772 2.205 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.099 0.270 3.935 1.00 0.00 C ATOM 0 H LEU A 23 1.127 -1.520 -0.393 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.795 -2.729 1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.642 -0.091 1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.338 -1.142 2.625 1.00 0.00 H new ATOM 0 HG LEU A 23 1.016 0.372 1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.149 2.585 2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.876 1.953 1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.704 1.721 2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.735 1.052 4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.901 0.352 4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.518 -0.706 4.179 1.00 0.00 H new ATOM 331 N ILE A 24 -2.674 -1.879 -0.374 1.00 0.00 N ATOM 332 CA ILE A 24 -3.592 -1.604 -1.486 1.00 0.00 C ATOM 333 C ILE A 24 -4.629 -0.545 -1.112 1.00 0.00 C ATOM 334 O ILE A 24 -5.398 -0.726 -0.166 1.00 0.00 O ATOM 335 CB ILE A 24 -4.315 -2.862 -2.005 1.00 0.00 C ATOM 336 CG1 ILE A 24 -3.355 -3.966 -2.465 1.00 0.00 C ATOM 337 CG2 ILE A 24 -5.290 -2.527 -3.144 1.00 0.00 C ATOM 338 CD1 ILE A 24 -3.927 -5.386 -2.370 1.00 0.00 C ATOM 0 H ILE A 24 -3.138 -2.210 0.471 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.960 -1.228 -2.291 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.874 -3.244 -1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.067 -3.772 -3.498 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.446 -3.913 -1.865 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.780 -3.439 -3.483 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.041 -1.823 -2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.741 -2.080 -3.973 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.181 -6.102 -2.715 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.188 -5.605 -1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.818 -5.462 -2.993 1.00 0.00 H new ATOM 349 N LEU A 25 -4.677 0.533 -1.897 1.00 0.00 N ATOM 350 CA LEU A 25 -5.670 1.599 -1.776 1.00 0.00 C ATOM 351 C LEU A 25 -6.350 1.753 -3.141 1.00 0.00 C ATOM 352 O LEU A 25 -5.800 2.381 -4.047 1.00 0.00 O ATOM 353 CB LEU A 25 -5.105 2.925 -1.221 1.00 0.00 C ATOM 354 CG LEU A 25 -3.901 2.786 -0.288 1.00 0.00 C ATOM 355 CD1 LEU A 25 -3.353 4.142 0.139 1.00 0.00 C ATOM 356 CD2 LEU A 25 -4.247 1.983 0.962 1.00 0.00 C ATOM 0 H LEU A 25 -4.010 0.692 -2.652 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.407 1.317 -1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.821 3.559 -2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.900 3.443 -0.685 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.138 2.256 -0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.499 3.997 0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.039 4.701 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.129 4.699 0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.367 1.906 1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.047 2.484 1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.575 0.984 0.674 1.00 0.00 H new ATOM 367 N HIS A 26 -7.524 1.139 -3.310 1.00 0.00 N ATOM 368 CA HIS A 26 -8.296 1.204 -4.553 1.00 0.00 C ATOM 369 C HIS A 26 -7.595 0.420 -5.688 1.00 0.00 C ATOM 370 O HIS A 26 -7.249 0.982 -6.726 1.00 0.00 O ATOM 371 CB HIS A 26 -8.589 2.678 -4.917 1.00 0.00 C ATOM 372 CG HIS A 26 -8.899 3.581 -3.739 1.00 0.00 C ATOM 373 ND1 HIS A 26 -10.099 3.647 -3.070 1.00 0.00 N ATOM 374 CD2 HIS A 26 -8.016 4.402 -3.078 1.00 0.00 C ATOM 375 CE1 HIS A 26 -9.940 4.486 -2.033 1.00 0.00 C ATOM 376 NE2 HIS A 26 -8.690 4.986 -2.000 1.00 0.00 N ATOM 0 H HIS A 26 -7.968 0.579 -2.583 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.259 0.714 -4.407 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.728 3.083 -5.449 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.432 2.705 -5.608 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -10.954 3.149 -3.317 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -6.983 4.567 -3.344 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.713 4.728 -1.319 1.00 0.00 H new ATOM 383 N TYR A 27 -7.319 -0.874 -5.465 1.00 0.00 N ATOM 384 CA TYR A 27 -6.559 -1.787 -6.338 1.00 0.00 C ATOM 385 C TYR A 27 -5.073 -1.460 -6.526 1.00 0.00 C ATOM 386 O TYR A 27 -4.283 -2.356 -6.837 1.00 0.00 O ATOM 387 CB TYR A 27 -7.163 -1.955 -7.733 1.00 0.00 C ATOM 388 CG TYR A 27 -8.621 -2.369 -7.786 1.00 0.00 C ATOM 389 CD1 TYR A 27 -8.949 -3.738 -7.760 1.00 0.00 C ATOM 390 CD2 TYR A 27 -9.643 -1.410 -7.903 1.00 0.00 C ATOM 391 CE1 TYR A 27 -10.288 -4.150 -7.835 1.00 0.00 C ATOM 392 CE2 TYR A 27 -10.987 -1.823 -7.958 1.00 0.00 C ATOM 393 CZ TYR A 27 -11.308 -3.190 -7.906 1.00 0.00 C ATOM 394 OH TYR A 27 -12.608 -3.586 -7.947 1.00 0.00 O ATOM 0 H TYR A 27 -7.640 -1.342 -4.617 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.634 -2.714 -5.770 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.055 -1.012 -8.269 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.576 -2.698 -8.273 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.164 -4.476 -7.682 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.397 -0.359 -7.951 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.532 -5.202 -7.838 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.774 -1.088 -8.040 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.189 -2.798 -7.994 1.00 0.00 H new ATOM 403 N LYS A 28 -4.678 -0.190 -6.396 1.00 0.00 N ATOM 404 CA LYS A 28 -3.304 0.188 -6.665 1.00 0.00 C ATOM 405 C LYS A 28 -2.416 -0.324 -5.529 1.00 0.00 C ATOM 406 O LYS A 28 -2.909 -0.443 -4.413 1.00 0.00 O ATOM 407 CB LYS A 28 -3.173 1.689 -6.919 1.00 0.00 C ATOM 408 CG LYS A 28 -4.173 2.261 -7.923 1.00 0.00 C ATOM 409 CD LYS A 28 -4.324 1.487 -9.234 1.00 0.00 C ATOM 410 CE LYS A 28 -5.283 2.271 -10.141 1.00 0.00 C ATOM 411 NZ LYS A 28 -5.422 1.632 -11.464 1.00 0.00 N ATOM 0 H LYS A 28 -5.286 0.577 -6.110 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.963 -0.281 -7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.291 2.215 -5.971 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.164 1.896 -7.275 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.150 2.316 -7.442 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.876 3.283 -8.159 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.355 1.366 -9.718 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.712 0.487 -9.043 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.261 2.340 -9.665 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.916 3.290 -10.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.128 2.149 -12.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.506 1.650 -11.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.731 0.646 -11.343 1.00 0.00 H new ATOM 421 N VAL A 29 -1.146 -0.644 -5.785 1.00 0.00 N ATOM 422 CA VAL A 29 -0.210 -1.084 -4.745 1.00 0.00 C ATOM 423 C VAL A 29 0.713 0.072 -4.336 1.00 0.00 C ATOM 424 O VAL A 29 1.191 0.817 -5.197 1.00 0.00 O ATOM 425 CB VAL A 29 0.593 -2.308 -5.194 1.00 0.00 C ATOM 426 CG1 VAL A 29 1.623 -2.697 -4.137 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.303 -3.534 -5.260 1.00 0.00 C ATOM 0 H VAL A 29 -0.736 -0.606 -6.718 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.789 -1.385 -3.872 1.00 0.00 H new ATOM 0 HB VAL A 29 1.039 -2.042 -6.152 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.182 -3.569 -4.477 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.310 -1.866 -3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.114 -2.934 -3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.282 -4.396 -5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.726 -3.729 -4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.109 -3.358 -5.972 1.00 0.00 H new ATOM 437 N TYR A 30 0.966 0.196 -3.028 1.00 0.00 N ATOM 438 CA TYR A 30 1.588 1.333 -2.379 1.00 0.00 C ATOM 439 C TYR A 30 2.710 0.925 -1.422 1.00 0.00 C ATOM 440 O TYR A 30 2.382 0.323 -0.414 1.00 0.00 O ATOM 441 CB TYR A 30 0.454 1.922 -1.550 1.00 0.00 C ATOM 442 CG TYR A 30 -0.623 2.617 -2.345 1.00 0.00 C ATOM 443 CD1 TYR A 30 -1.661 1.834 -2.858 1.00 0.00 C ATOM 444 CD2 TYR A 30 -0.625 4.007 -2.558 1.00 0.00 C ATOM 445 CE1 TYR A 30 -2.726 2.437 -3.529 1.00 0.00 C ATOM 446 CE2 TYR A 30 -1.719 4.607 -3.216 1.00 0.00 C ATOM 447 CZ TYR A 30 -2.775 3.821 -3.689 1.00 0.00 C ATOM 448 OH TYR A 30 -3.866 4.383 -4.279 1.00 0.00 O ATOM 0 H TYR A 30 0.725 -0.541 -2.366 1.00 0.00 H new ATOM 0 HA TYR A 30 2.034 2.006 -3.111 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.004 1.122 -0.968 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.875 2.632 -0.839 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.639 0.761 -2.735 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.205 4.610 -2.220 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.521 1.825 -3.929 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.741 5.678 -3.355 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.615 3.751 -4.251 1.00 0.00 H new ATOM 457 N ASP A 31 3.967 1.314 -1.666 1.00 0.00 N ATOM 458 CA ASP A 31 5.148 1.014 -0.824 1.00 0.00 C ATOM 459 C ASP A 31 5.568 2.254 -0.028 1.00 0.00 C ATOM 460 O ASP A 31 5.892 3.287 -0.615 1.00 0.00 O ATOM 461 CB ASP A 31 6.348 0.517 -1.649 1.00 0.00 C ATOM 462 CG ASP A 31 7.529 0.034 -0.788 1.00 0.00 C ATOM 463 OD1 ASP A 31 7.699 0.514 0.360 1.00 0.00 O ATOM 464 OD2 ASP A 31 8.241 -0.865 -1.286 1.00 0.00 O ATOM 0 H ASP A 31 4.207 1.869 -2.487 1.00 0.00 H new ATOM 0 HA ASP A 31 4.850 0.215 -0.145 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.022 -0.299 -2.294 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.689 1.322 -2.300 1.00 0.00 H new ATOM 468 N LEU A 32 5.561 2.150 1.303 1.00 0.00 N ATOM 469 CA LEU A 32 5.643 3.313 2.184 1.00 0.00 C ATOM 470 C LEU A 32 6.693 3.220 3.279 1.00 0.00 C ATOM 471 O LEU A 32 6.668 4.017 4.212 1.00 0.00 O ATOM 472 CB LEU A 32 4.255 3.497 2.796 1.00 0.00 C ATOM 473 CG LEU A 32 3.179 3.229 1.747 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.829 3.484 2.330 1.00 0.00 C ATOM 475 CD2 LEU A 32 3.230 4.162 0.552 1.00 0.00 C ATOM 0 H LEU A 32 5.499 1.260 1.797 1.00 0.00 H new ATOM 0 HA LEU A 32 5.960 4.166 1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.128 2.819 3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.151 4.510 3.184 1.00 0.00 H new ATOM 0 HG LEU A 32 3.357 2.199 1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.065 3.291 1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.671 2.825 3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.763 4.522 2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.433 3.904 -0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.100 5.191 0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.194 4.062 0.053 1.00 0.00 H new ATOM 486 N THR A 33 7.628 2.283 3.144 1.00 0.00 N ATOM 487 CA THR A 33 8.638 1.903 4.134 1.00 0.00 C ATOM 488 C THR A 33 9.410 3.067 4.781 1.00 0.00 C ATOM 489 O THR A 33 9.870 2.933 5.910 1.00 0.00 O ATOM 490 CB THR A 33 9.572 0.891 3.450 1.00 0.00 C ATOM 491 OG1 THR A 33 8.795 -0.023 2.689 1.00 0.00 O ATOM 492 CG2 THR A 33 10.369 0.078 4.472 1.00 0.00 C ATOM 0 H THR A 33 7.707 1.734 2.288 1.00 0.00 H new ATOM 0 HA THR A 33 8.125 1.466 4.991 1.00 0.00 H new ATOM 0 HB THR A 33 10.262 1.454 2.821 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.792 0.254 1.749 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.018 -0.626 3.951 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.976 0.750 5.078 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.682 -0.470 5.116 1.00 0.00 H new ATOM 500 N LYS A 34 9.523 4.213 4.102 1.00 0.00 N ATOM 501 CA LYS A 34 10.059 5.458 4.670 1.00 0.00 C ATOM 502 C LYS A 34 8.988 6.427 5.142 1.00 0.00 C ATOM 503 O LYS A 34 9.184 7.171 6.096 1.00 0.00 O ATOM 504 CB LYS A 34 10.864 6.187 3.597 1.00 0.00 C ATOM 505 CG LYS A 34 12.107 5.366 3.303 1.00 0.00 C ATOM 506 CD LYS A 34 13.082 6.186 2.455 1.00 0.00 C ATOM 507 CE LYS A 34 14.397 5.420 2.278 1.00 0.00 C ATOM 508 NZ LYS A 34 15.417 6.261 1.617 1.00 0.00 N ATOM 0 H LYS A 34 9.240 4.305 3.126 1.00 0.00 H new ATOM 0 HA LYS A 34 10.658 5.162 5.531 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.268 6.313 2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.139 7.185 3.939 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.585 5.067 4.236 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.834 4.451 2.777 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.641 6.397 1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.273 7.147 2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.765 5.093 3.251 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.222 4.522 1.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.298 5.718 1.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.073 6.552 0.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.599 7.105 2.196 1.00 0.00 H new ATOM 518 N PHE A 35 7.840 6.430 4.473 1.00 0.00 N ATOM 519 CA PHE A 35 6.743 7.296 4.901 1.00 0.00 C ATOM 520 C PHE A 35 6.364 6.987 6.354 1.00 0.00 C ATOM 521 O PHE A 35 6.014 7.882 7.115 1.00 0.00 O ATOM 522 CB PHE A 35 5.554 7.196 3.955 1.00 0.00 C ATOM 523 CG PHE A 35 4.415 8.121 4.329 1.00 0.00 C ATOM 524 CD1 PHE A 35 4.660 9.489 4.561 1.00 0.00 C ATOM 525 CD2 PHE A 35 3.106 7.619 4.431 1.00 0.00 C ATOM 526 CE1 PHE A 35 3.596 10.362 4.831 1.00 0.00 C ATOM 527 CE2 PHE A 35 2.043 8.494 4.700 1.00 0.00 C ATOM 528 CZ PHE A 35 2.283 9.871 4.864 1.00 0.00 C ATOM 0 H PHE A 35 7.645 5.858 3.651 1.00 0.00 H new ATOM 0 HA PHE A 35 7.078 8.333 4.860 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.883 7.427 2.942 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.191 6.168 3.946 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.671 9.867 4.531 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.919 6.563 4.303 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.787 11.409 5.013 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.037 8.110 4.782 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.456 10.549 5.015 1.00 0.00 H new ATOM 537 N LEU A 36 6.520 5.716 6.732 1.00 0.00 N ATOM 538 CA LEU A 36 6.529 5.215 8.102 1.00 0.00 C ATOM 539 C LEU A 36 7.148 6.221 9.099 1.00 0.00 C ATOM 540 O LEU A 36 6.584 6.474 10.159 1.00 0.00 O ATOM 541 CB LEU A 36 7.365 3.923 8.088 1.00 0.00 C ATOM 542 CG LEU A 36 6.814 2.765 7.248 1.00 0.00 C ATOM 543 CD1 LEU A 36 7.418 1.446 7.748 1.00 0.00 C ATOM 544 CD2 LEU A 36 5.292 2.628 7.260 1.00 0.00 C ATOM 0 H LEU A 36 6.651 4.970 6.049 1.00 0.00 H new ATOM 0 HA LEU A 36 5.504 5.046 8.433 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.363 4.166 7.723 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.477 3.577 9.116 1.00 0.00 H new ATOM 0 HG LEU A 36 7.097 2.991 6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.029 0.619 7.154 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.503 1.483 7.652 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.151 1.297 8.794 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.998 1.782 6.638 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.950 2.464 8.282 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.841 3.540 6.869 1.00 0.00 H new ATOM 555 N GLU A 37 8.302 6.801 8.748 1.00 0.00 N ATOM 556 CA GLU A 37 9.058 7.753 9.558 1.00 0.00 C ATOM 557 C GLU A 37 8.315 9.090 9.781 1.00 0.00 C ATOM 558 O GLU A 37 8.517 9.755 10.795 1.00 0.00 O ATOM 559 CB GLU A 37 10.408 8.002 8.857 1.00 0.00 C ATOM 560 CG GLU A 37 11.237 6.722 8.609 1.00 0.00 C ATOM 561 CD GLU A 37 12.505 6.988 7.799 1.00 0.00 C ATOM 562 OE1 GLU A 37 13.421 7.615 8.374 1.00 0.00 O ATOM 563 OE2 GLU A 37 12.551 6.549 6.628 1.00 0.00 O ATOM 0 H GLU A 37 8.750 6.609 7.852 1.00 0.00 H new ATOM 0 HA GLU A 37 9.198 7.323 10.550 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.224 8.493 7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.997 8.692 9.461 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.509 6.279 9.567 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.622 5.992 8.083 1.00 0.00 H new ATOM 568 N GLU A 38 7.491 9.496 8.809 1.00 0.00 N ATOM 569 CA GLU A 38 6.847 10.806 8.691 1.00 0.00 C ATOM 570 C GLU A 38 5.360 10.784 9.101 1.00 0.00 C ATOM 571 O GLU A 38 4.889 11.646 9.841 1.00 0.00 O ATOM 572 CB GLU A 38 7.010 11.230 7.220 1.00 0.00 C ATOM 573 CG GLU A 38 6.376 12.586 6.859 1.00 0.00 C ATOM 574 CD GLU A 38 7.098 13.786 7.463 1.00 0.00 C ATOM 575 OE1 GLU A 38 8.333 13.851 7.286 1.00 0.00 O ATOM 576 OE2 GLU A 38 6.393 14.632 8.050 1.00 0.00 O ATOM 0 H GLU A 38 7.241 8.879 8.036 1.00 0.00 H new ATOM 0 HA GLU A 38 7.316 11.515 9.373 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.074 11.269 6.985 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.571 10.460 6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.361 12.692 5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.339 12.592 7.194 1.00 0.00 H new ATOM 581 N HIS A 39 4.601 9.817 8.575 1.00 0.00 N ATOM 582 CA HIS A 39 3.143 9.737 8.647 1.00 0.00 C ATOM 583 C HIS A 39 2.549 10.029 10.037 1.00 0.00 C ATOM 584 O HIS A 39 2.779 9.257 10.970 1.00 0.00 O ATOM 585 CB HIS A 39 2.732 8.334 8.195 1.00 0.00 C ATOM 586 CG HIS A 39 1.243 8.086 8.171 1.00 0.00 C ATOM 587 ND1 HIS A 39 0.632 6.972 8.690 1.00 0.00 N ATOM 588 CD2 HIS A 39 0.305 8.772 7.444 1.00 0.00 C ATOM 589 CE1 HIS A 39 -0.639 6.975 8.251 1.00 0.00 C ATOM 590 NE2 HIS A 39 -0.893 8.055 7.483 1.00 0.00 N ATOM 0 H HIS A 39 5.008 9.034 8.064 1.00 0.00 H new ATOM 0 HA HIS A 39 2.745 10.518 7.999 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.131 8.158 7.196 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.197 7.604 8.857 1.00 0.00 H new ATOM 0 HD1 HIS A 39 1.062 6.273 9.295 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.465 9.708 6.929 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.365 6.210 8.484 1.00 0.00 H new ATOM 597 N PRO A 40 1.700 11.064 10.189 1.00 0.00 N ATOM 598 CA PRO A 40 1.078 11.395 11.468 1.00 0.00 C ATOM 599 C PRO A 40 0.132 10.294 11.971 1.00 0.00 C ATOM 600 O PRO A 40 -0.072 10.157 13.173 1.00 0.00 O ATOM 601 CB PRO A 40 0.367 12.734 11.247 1.00 0.00 C ATOM 602 CG PRO A 40 0.066 12.723 9.750 1.00 0.00 C ATOM 603 CD PRO A 40 1.268 11.997 9.160 1.00 0.00 C ATOM 0 HA PRO A 40 1.824 11.474 12.259 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.544 12.810 11.841 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.000 13.577 11.525 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.866 12.203 9.530 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.031 13.733 9.351 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.999 11.473 8.243 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.064 12.697 8.906 1.00 0.00 H new ATOM 608 N GLY A 41 -0.417 9.476 11.066 1.00 0.00 N ATOM 609 CA GLY A 41 -1.146 8.264 11.438 1.00 0.00 C ATOM 610 C GLY A 41 -0.265 7.214 12.139 1.00 0.00 C ATOM 611 O GLY A 41 -0.793 6.334 12.813 1.00 0.00 O ATOM 0 H GLY A 41 -0.367 9.637 10.060 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.972 8.533 12.096 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.583 7.822 10.543 1.00 0.00 H new ATOM 615 N GLY A 42 1.063 7.280 11.964 1.00 0.00 N ATOM 616 CA GLY A 42 2.039 6.381 12.564 1.00 0.00 C ATOM 617 C GLY A 42 2.618 5.420 11.526 1.00 0.00 C ATOM 618 O GLY A 42 2.045 5.239 10.446 1.00 0.00 O ATOM 0 H GLY A 42 1.496 7.992 11.376 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.844 6.962 13.014 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.569 5.813 13.367 1.00 0.00 H new ATOM 622 N GLU A 43 3.743 4.784 11.858 1.00 0.00 N ATOM 623 CA GLU A 43 4.279 3.676 11.085 1.00 0.00 C ATOM 624 C GLU A 43 3.491 2.424 11.366 1.00 0.00 C ATOM 625 O GLU A 43 3.052 1.720 10.454 1.00 0.00 O ATOM 626 CB GLU A 43 5.738 3.330 11.436 1.00 0.00 C ATOM 627 CG GLU A 43 6.159 2.865 12.846 1.00 0.00 C ATOM 628 CD GLU A 43 5.809 3.828 13.977 1.00 0.00 C ATOM 629 OE1 GLU A 43 4.589 4.002 14.204 1.00 0.00 O ATOM 630 OE2 GLU A 43 6.753 4.381 14.574 1.00 0.00 O ATOM 0 H GLU A 43 4.305 5.028 12.674 1.00 0.00 H new ATOM 0 HA GLU A 43 4.218 3.999 10.046 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.050 2.549 10.743 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.333 4.214 11.208 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.688 1.903 13.050 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.236 2.700 12.851 1.00 0.00 H new ATOM 635 N GLU A 44 3.326 2.142 12.659 1.00 0.00 N ATOM 636 CA GLU A 44 2.884 0.834 13.045 1.00 0.00 C ATOM 637 C GLU A 44 1.477 0.604 12.511 1.00 0.00 C ATOM 638 O GLU A 44 1.121 -0.492 12.116 1.00 0.00 O ATOM 639 CB GLU A 44 2.885 0.620 14.567 1.00 0.00 C ATOM 640 CG GLU A 44 4.268 0.572 15.238 1.00 0.00 C ATOM 641 CD GLU A 44 5.159 -0.548 14.725 1.00 0.00 C ATOM 642 OE1 GLU A 44 4.623 -1.533 14.161 1.00 0.00 O ATOM 643 OE2 GLU A 44 6.398 -0.429 14.867 1.00 0.00 O ATOM 0 H GLU A 44 3.491 2.793 13.427 1.00 0.00 H new ATOM 0 HA GLU A 44 3.590 0.120 12.620 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.307 1.421 15.027 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.365 -0.313 14.784 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.772 1.526 15.080 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.136 0.455 16.314 1.00 0.00 H new ATOM 648 N HIS A 45 0.693 1.679 12.466 1.00 0.00 N ATOM 649 CA HIS A 45 -0.652 1.705 11.931 1.00 0.00 C ATOM 650 C HIS A 45 -0.716 1.522 10.408 1.00 0.00 C ATOM 651 O HIS A 45 -1.718 1.046 9.881 1.00 0.00 O ATOM 652 CB HIS A 45 -1.270 3.020 12.390 1.00 0.00 C ATOM 653 CG HIS A 45 -2.718 3.183 12.018 1.00 0.00 C ATOM 654 ND1 HIS A 45 -3.714 2.244 12.166 1.00 0.00 N ATOM 655 CD2 HIS A 45 -3.289 4.319 11.517 1.00 0.00 C ATOM 656 CE1 HIS A 45 -4.862 2.812 11.765 1.00 0.00 C ATOM 657 NE2 HIS A 45 -4.658 4.080 11.370 1.00 0.00 N ATOM 0 H HIS A 45 0.996 2.588 12.817 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.218 0.853 12.308 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.174 3.095 13.473 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -0.701 3.845 11.961 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.600 1.293 12.516 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -2.774 5.238 11.277 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.821 2.316 11.760 1.00 0.00 H new ATOM 664 N LEU A 46 0.358 1.848 9.686 1.00 0.00 N ATOM 665 CA LEU A 46 0.463 1.464 8.283 1.00 0.00 C ATOM 666 C LEU A 46 0.859 -0.009 8.223 1.00 0.00 C ATOM 667 O LEU A 46 0.310 -0.770 7.431 1.00 0.00 O ATOM 668 CB LEU A 46 1.493 2.338 7.549 1.00 0.00 C ATOM 669 CG LEU A 46 1.056 3.801 7.389 1.00 0.00 C ATOM 670 CD1 LEU A 46 2.237 4.635 6.881 1.00 0.00 C ATOM 671 CD2 LEU A 46 -0.101 3.935 6.396 1.00 0.00 C ATOM 0 H LEU A 46 1.156 2.370 10.047 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.495 1.613 7.785 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.437 2.307 8.093 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.680 1.914 6.563 1.00 0.00 H new ATOM 0 HG LEU A 46 0.723 4.158 8.363 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.927 5.674 6.767 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.057 4.578 7.596 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.568 4.248 5.917 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.385 4.984 6.307 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.211 3.560 5.421 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.954 3.357 6.751 1.00 0.00 H new ATOM 682 N ARG A 47 1.783 -0.425 9.094 1.00 0.00 N ATOM 683 CA ARG A 47 2.324 -1.782 9.085 1.00 0.00 C ATOM 684 C ARG A 47 1.223 -2.807 9.370 1.00 0.00 C ATOM 685 O ARG A 47 1.086 -3.817 8.690 1.00 0.00 O ATOM 686 CB ARG A 47 3.462 -1.860 10.101 1.00 0.00 C ATOM 687 CG ARG A 47 4.239 -3.175 9.926 1.00 0.00 C ATOM 688 CD ARG A 47 5.248 -3.419 11.052 1.00 0.00 C ATOM 689 NE ARG A 47 6.480 -2.609 10.906 1.00 0.00 N ATOM 690 CZ ARG A 47 7.253 -2.168 11.908 1.00 0.00 C ATOM 691 NH1 ARG A 47 6.858 -2.261 13.161 1.00 0.00 N ATOM 692 NH2 ARG A 47 8.441 -1.620 11.690 1.00 0.00 N ATOM 0 H ARG A 47 2.175 0.171 9.823 1.00 0.00 H new ATOM 0 HA ARG A 47 2.720 -2.022 8.098 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.134 -1.012 9.971 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.061 -1.797 11.113 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.535 -4.006 9.888 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.764 -3.158 8.971 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.780 -3.190 12.009 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.514 -4.476 11.072 1.00 0.00 H new ATOM 0 HE ARG A 47 6.765 -2.365 9.958 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.951 -2.674 13.381 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.459 -1.920 13.912 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.791 -1.524 10.737 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.004 -1.294 12.476 1.00 0.00 H new ATOM 703 N GLU A 48 0.426 -2.477 10.378 1.00 0.00 N ATOM 704 CA GLU A 48 -0.844 -3.098 10.757 1.00 0.00 C ATOM 705 C GLU A 48 -1.666 -3.537 9.533 1.00 0.00 C ATOM 706 O GLU A 48 -2.080 -4.690 9.428 1.00 0.00 O ATOM 707 CB GLU A 48 -1.609 -2.040 11.567 1.00 0.00 C ATOM 708 CG GLU A 48 -3.051 -2.399 11.963 1.00 0.00 C ATOM 709 CD GLU A 48 -3.911 -1.145 12.062 1.00 0.00 C ATOM 710 OE1 GLU A 48 -3.645 -0.334 12.974 1.00 0.00 O ATOM 711 OE2 GLU A 48 -4.789 -0.988 11.186 1.00 0.00 O ATOM 0 H GLU A 48 0.667 -1.708 11.003 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.664 -4.005 11.335 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.046 -1.832 12.477 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.633 -1.117 10.988 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.477 -3.081 11.226 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.051 -2.922 12.919 1.00 0.00 H new ATOM 716 N GLN A 49 -1.904 -2.599 8.613 1.00 0.00 N ATOM 717 CA GLN A 49 -2.658 -2.841 7.387 1.00 0.00 C ATOM 718 C GLN A 49 -1.807 -3.516 6.307 1.00 0.00 C ATOM 719 O GLN A 49 -2.311 -4.267 5.475 1.00 0.00 O ATOM 720 CB GLN A 49 -3.098 -1.494 6.808 1.00 0.00 C ATOM 721 CG GLN A 49 -4.190 -0.735 7.560 1.00 0.00 C ATOM 722 CD GLN A 49 -5.487 -1.521 7.693 1.00 0.00 C ATOM 723 OE1 GLN A 49 -6.154 -1.807 6.711 1.00 0.00 O ATOM 724 NE2 GLN A 49 -5.896 -1.861 8.905 1.00 0.00 N ATOM 0 H GLN A 49 -1.573 -1.638 8.703 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.496 -3.487 7.647 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.221 -0.850 6.746 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.444 -1.661 5.788 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.825 -0.478 8.555 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.393 0.203 7.043 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.333 -1.618 9.720 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.774 -2.366 9.024 1.00 0.00 H new ATOM 731 N ALA A 50 -0.525 -3.149 6.272 1.00 0.00 N ATOM 732 CA ALA A 50 0.393 -3.449 5.191 1.00 0.00 C ATOM 733 C ALA A 50 0.425 -4.912 4.734 1.00 0.00 C ATOM 734 O ALA A 50 0.180 -5.855 5.485 1.00 0.00 O ATOM 735 CB ALA A 50 1.808 -3.029 5.598 1.00 0.00 C ATOM 0 H ALA A 50 -0.090 -2.617 7.025 1.00 0.00 H new ATOM 0 HA ALA A 50 0.020 -2.883 4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.501 -3.253 4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.825 -1.959 5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.107 -3.576 6.492 1.00 0.00 H new ATOM 741 N GLY A 51 0.780 -5.077 3.463 1.00 0.00 N ATOM 742 CA GLY A 51 0.773 -6.354 2.756 1.00 0.00 C ATOM 743 C GLY A 51 -0.415 -6.465 1.800 1.00 0.00 C ATOM 744 O GLY A 51 -0.507 -7.414 1.024 1.00 0.00 O ATOM 0 H GLY A 51 1.090 -4.301 2.878 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.702 -6.465 2.197 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.736 -7.170 3.478 1.00 0.00 H new ATOM 748 N GLY A 52 -1.307 -5.470 1.837 1.00 0.00 N ATOM 749 CA GLY A 52 -2.373 -5.278 0.877 1.00 0.00 C ATOM 750 C GLY A 52 -3.458 -4.364 1.446 1.00 0.00 C ATOM 751 O GLY A 52 -3.159 -3.516 2.283 1.00 0.00 O ATOM 0 H GLY A 52 -1.297 -4.757 2.566 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.970 -4.845 -0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.806 -6.242 0.610 1.00 0.00 H new ATOM 755 N ASP A 53 -4.671 -4.491 0.903 1.00 0.00 N ATOM 756 CA ASP A 53 -5.922 -3.859 1.296 1.00 0.00 C ATOM 757 C ASP A 53 -5.869 -3.103 2.622 1.00 0.00 C ATOM 758 O ASP A 53 -5.947 -3.650 3.719 1.00 0.00 O ATOM 759 CB ASP A 53 -7.143 -4.773 1.185 1.00 0.00 C ATOM 760 CG ASP A 53 -8.431 -3.945 1.258 1.00 0.00 C ATOM 761 OD1 ASP A 53 -8.327 -2.702 1.421 1.00 0.00 O ATOM 762 OD2 ASP A 53 -9.501 -4.567 1.115 1.00 0.00 O ATOM 0 H ASP A 53 -4.810 -5.101 0.097 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.060 -3.086 0.540 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.109 -5.325 0.246 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.129 -5.510 1.988 1.00 0.00 H new ATOM 766 N ALA A 54 -5.755 -1.802 2.430 1.00 0.00 N ATOM 767 CA ALA A 54 -5.840 -0.766 3.429 1.00 0.00 C ATOM 768 C ALA A 54 -6.770 0.319 2.890 1.00 0.00 C ATOM 769 O ALA A 54 -6.769 1.454 3.363 1.00 0.00 O ATOM 770 CB ALA A 54 -4.395 -0.345 3.654 1.00 0.00 C ATOM 0 H ALA A 54 -5.588 -1.419 1.500 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.267 -1.053 4.390 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.359 0.445 4.404 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.816 -1.201 4.001 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.973 0.023 2.719 1.00 0.00 H new ATOM 776 N THR A 55 -7.594 -0.060 1.904 1.00 0.00 N ATOM 777 CA THR A 55 -8.503 0.814 1.187 1.00 0.00 C ATOM 778 C THR A 55 -9.595 1.266 2.145 1.00 0.00 C ATOM 779 O THR A 55 -9.869 2.458 2.272 1.00 0.00 O ATOM 780 CB THR A 55 -9.072 0.028 -0.007 1.00 0.00 C ATOM 781 OG1 THR A 55 -8.060 -0.301 -0.936 1.00 0.00 O ATOM 782 CG2 THR A 55 -10.139 0.815 -0.765 1.00 0.00 C ATOM 0 H THR A 55 -7.640 -1.026 1.579 1.00 0.00 H new ATOM 0 HA THR A 55 -8.001 1.704 0.808 1.00 0.00 H new ATOM 0 HB THR A 55 -9.512 -0.872 0.422 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.232 -0.514 -0.456 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.509 0.217 -1.598 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.964 1.050 -0.093 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.707 1.740 -1.146 1.00 0.00 H new ATOM 790 N GLU A 56 -10.171 0.301 2.865 1.00 0.00 N ATOM 791 CA GLU A 56 -11.138 0.576 3.910 1.00 0.00 C ATOM 792 C GLU A 56 -10.564 1.513 4.977 1.00 0.00 C ATOM 793 O GLU A 56 -11.130 2.578 5.201 1.00 0.00 O ATOM 794 CB GLU A 56 -11.660 -0.753 4.470 1.00 0.00 C ATOM 795 CG GLU A 56 -12.814 -0.534 5.459 1.00 0.00 C ATOM 796 CD GLU A 56 -13.450 -1.849 5.892 1.00 0.00 C ATOM 797 OE1 GLU A 56 -12.879 -2.478 6.807 1.00 0.00 O ATOM 798 OE2 GLU A 56 -14.486 -2.201 5.288 1.00 0.00 O ATOM 0 H GLU A 56 -9.975 -0.691 2.734 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.990 1.116 3.496 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.998 -1.387 3.650 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.848 -1.283 4.968 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.444 -0.004 6.336 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.571 0.101 4.998 1.00 0.00 H new ATOM 803 N ASN A 57 -9.412 1.193 5.584 1.00 0.00 N ATOM 804 CA ASN A 57 -8.864 2.073 6.624 1.00 0.00 C ATOM 805 C ASN A 57 -8.591 3.484 6.062 1.00 0.00 C ATOM 806 O ASN A 57 -8.945 4.498 6.664 1.00 0.00 O ATOM 807 CB ASN A 57 -7.619 1.462 7.310 1.00 0.00 C ATOM 808 CG ASN A 57 -7.600 1.821 8.796 1.00 0.00 C ATOM 809 OD1 ASN A 57 -7.904 2.940 9.184 1.00 0.00 O ATOM 810 ND2 ASN A 57 -7.249 0.880 9.661 1.00 0.00 N ATOM 0 H ASN A 57 -8.858 0.361 5.382 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.619 2.172 7.404 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.625 0.379 7.191 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.713 1.830 6.829 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.231 1.086 10.660 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.997 -0.051 9.328 1.00 0.00 H new ATOM 816 N PHE A 58 -8.007 3.532 4.858 1.00 0.00 N ATOM 817 CA PHE A 58 -7.660 4.773 4.153 1.00 0.00 C ATOM 818 C PHE A 58 -8.852 5.688 3.799 1.00 0.00 C ATOM 819 O PHE A 58 -8.634 6.889 3.619 1.00 0.00 O ATOM 820 CB PHE A 58 -6.871 4.396 2.896 1.00 0.00 C ATOM 821 CG PHE A 58 -6.349 5.540 2.047 1.00 0.00 C ATOM 822 CD1 PHE A 58 -5.334 6.380 2.543 1.00 0.00 C ATOM 823 CD2 PHE A 58 -6.689 5.597 0.685 1.00 0.00 C ATOM 824 CE1 PHE A 58 -4.645 7.246 1.674 1.00 0.00 C ATOM 825 CE2 PHE A 58 -5.928 6.380 -0.202 1.00 0.00 C ATOM 826 CZ PHE A 58 -4.931 7.236 0.298 1.00 0.00 C ATOM 0 H PHE A 58 -7.757 2.692 4.336 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.065 5.374 4.841 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.022 3.783 3.199 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.508 3.771 2.270 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.083 6.360 3.593 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.537 5.038 0.318 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.896 7.919 2.065 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.109 6.324 -1.265 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.387 7.884 -0.373 1.00 0.00 H new ATOM 835 N GLU A 59 -10.070 5.131 3.678 1.00 0.00 N ATOM 836 CA GLU A 59 -11.325 5.803 3.344 1.00 0.00 C ATOM 837 C GLU A 59 -12.241 6.010 4.572 1.00 0.00 C ATOM 838 O GLU A 59 -12.953 7.008 4.649 1.00 0.00 O ATOM 839 CB GLU A 59 -12.036 5.077 2.195 1.00 0.00 C ATOM 840 CG GLU A 59 -12.959 6.050 1.429 1.00 0.00 C ATOM 841 CD GLU A 59 -12.194 7.054 0.571 1.00 0.00 C ATOM 842 OE1 GLU A 59 -11.877 6.696 -0.582 1.00 0.00 O ATOM 843 OE2 GLU A 59 -11.817 8.143 1.058 1.00 0.00 O ATOM 0 H GLU A 59 -10.206 4.130 3.822 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.076 6.807 3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.299 4.653 1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.621 4.246 2.589 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.633 5.476 0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.579 6.591 2.144 1.00 0.00 H new ATOM 848 N ASP A 60 -12.215 5.098 5.554 1.00 0.00 N ATOM 849 CA ASP A 60 -12.846 5.294 6.859 1.00 0.00 C ATOM 850 C ASP A 60 -12.219 6.538 7.504 1.00 0.00 C ATOM 851 O ASP A 60 -12.876 7.566 7.677 1.00 0.00 O ATOM 852 CB ASP A 60 -12.669 4.023 7.698 1.00 0.00 C ATOM 853 CG ASP A 60 -13.274 4.194 9.081 1.00 0.00 C ATOM 854 OD1 ASP A 60 -12.527 4.664 9.964 1.00 0.00 O ATOM 855 OD2 ASP A 60 -14.473 3.874 9.221 1.00 0.00 O ATOM 0 H ASP A 60 -11.749 4.195 5.460 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.919 5.465 6.775 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.141 3.181 7.192 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.609 3.787 7.788 1.00 0.00 H new ATOM 859 N VAL A 61 -10.901 6.497 7.734 1.00 0.00 N ATOM 860 CA VAL A 61 -10.141 7.701 8.047 1.00 0.00 C ATOM 861 C VAL A 61 -9.861 8.352 6.685 1.00 0.00 C ATOM 862 O VAL A 61 -8.723 8.410 6.231 1.00 0.00 O ATOM 863 CB VAL A 61 -8.851 7.343 8.810 1.00 0.00 C ATOM 864 CG1 VAL A 61 -8.154 8.626 9.282 1.00 0.00 C ATOM 865 CG2 VAL A 61 -9.151 6.468 10.036 1.00 0.00 C ATOM 0 H VAL A 61 -10.345 5.642 7.708 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.679 8.386 8.702 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.206 6.787 8.129 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.242 8.368 9.821 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.903 9.242 8.419 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.821 9.181 9.942 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.220 6.233 10.552 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.815 7.005 10.713 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.631 5.544 9.715 1.00 0.00 H new ATOM 875 N GLY A 62 -10.918 8.780 5.989 1.00 0.00 N ATOM 876 CA GLY A 62 -10.833 9.122 4.575 1.00 0.00 C ATOM 877 C GLY A 62 -9.890 10.270 4.207 1.00 0.00 C ATOM 878 O GLY A 62 -10.146 11.434 4.504 1.00 0.00 O ATOM 0 H GLY A 62 -11.848 8.897 6.390 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.519 8.233 4.027 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.833 9.376 4.224 1.00 0.00 H new ATOM 882 N HIS A 63 -8.779 9.913 3.553 1.00 0.00 N ATOM 883 CA HIS A 63 -7.655 10.808 3.297 1.00 0.00 C ATOM 884 CB HIS A 63 -6.457 9.965 2.867 1.00 0.00 C ATOM 885 CG HIS A 63 -5.794 9.305 4.038 1.00 0.00 C ATOM 886 ND1 HIS A 63 -6.400 8.492 4.963 1.00 0.00 N ATOM 887 CD2 HIS A 63 -4.502 9.487 4.430 1.00 0.00 C ATOM 888 CE1 HIS A 63 -5.483 8.182 5.890 1.00 0.00 C ATOM 889 NE2 HIS A 63 -4.296 8.742 5.592 1.00 0.00 N ATOM 0 H HIS A 63 -8.637 8.974 3.181 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.783 9.205 2.157 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.735 10.596 2.348 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -7.371 8.181 4.948 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.767 10.100 3.930 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.671 7.567 6.758 1.00 0.00 H new ATOM 896 N SER A 64 -7.303 13.064 2.462 1.00 0.00 N ATOM 897 CA SER A 64 -7.500 14.259 1.649 1.00 0.00 C ATOM 898 C SER A 64 -6.966 14.132 0.213 1.00 0.00 C ATOM 899 O SER A 64 -6.142 13.272 -0.107 1.00 0.00 O ATOM 900 CB SER A 64 -6.854 15.460 2.359 1.00 0.00 C ATOM 901 OG SER A 64 -7.406 15.609 3.652 1.00 0.00 O ATOM 0 HA SER A 64 -8.576 14.403 1.548 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.776 15.315 2.429 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.017 16.368 1.778 1.00 0.00 H new ATOM 0 HG SER A 64 -7.046 14.916 4.243 1.00 0.00 H new ATOM 906 N THR A 65 -7.403 15.048 -0.654 1.00 0.00 N ATOM 907 CA THR A 65 -6.885 15.235 -2.009 1.00 0.00 C ATOM 908 C THR A 65 -5.366 15.224 -2.047 1.00 0.00 C ATOM 909 O THR A 65 -4.755 14.462 -2.783 1.00 0.00 O ATOM 910 CB THR A 65 -7.380 16.588 -2.543 1.00 0.00 C ATOM 911 OG1 THR A 65 -7.525 17.529 -1.485 1.00 0.00 O ATOM 912 CG2 THR A 65 -8.762 16.426 -3.176 1.00 0.00 C ATOM 0 H THR A 65 -8.152 15.701 -0.424 1.00 0.00 H new ATOM 0 HA THR A 65 -7.243 14.409 -2.623 1.00 0.00 H new ATOM 0 HB THR A 65 -6.646 16.937 -3.269 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.660 17.951 -1.302 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.105 17.390 -3.552 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.704 15.715 -4.000 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.464 16.057 -2.428 1.00 0.00 H new ATOM 920 N ASP A 66 -4.774 16.072 -1.224 1.00 0.00 N ATOM 921 CA ASP A 66 -3.360 16.283 -1.007 1.00 0.00 C ATOM 922 C ASP A 66 -2.622 14.953 -0.789 1.00 0.00 C ATOM 923 O ASP A 66 -1.587 14.682 -1.394 1.00 0.00 O ATOM 924 CB ASP A 66 -3.297 17.208 0.216 1.00 0.00 C ATOM 925 CG ASP A 66 -4.093 18.497 0.006 1.00 0.00 C ATOM 926 OD1 ASP A 66 -5.329 18.368 -0.185 1.00 0.00 O ATOM 927 OD2 ASP A 66 -3.454 19.567 0.017 1.00 0.00 O ATOM 0 H ASP A 66 -5.331 16.690 -0.634 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.862 16.729 -1.868 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.685 16.681 1.088 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.257 17.456 0.429 1.00 0.00 H new ATOM 931 N ALA A 67 -3.206 14.096 0.048 1.00 0.00 N ATOM 932 CA ALA A 67 -2.714 12.755 0.345 1.00 0.00 C ATOM 933 C ALA A 67 -2.906 11.802 -0.847 1.00 0.00 C ATOM 934 O ALA A 67 -2.013 11.028 -1.187 1.00 0.00 O ATOM 935 CB ALA A 67 -3.412 12.239 1.605 1.00 0.00 C ATOM 0 H ALA A 67 -4.062 14.325 0.553 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.640 12.799 0.526 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.051 11.237 1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.194 12.905 2.440 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.489 12.208 1.438 1.00 0.00 H new ATOM 941 N ARG A 68 -4.059 11.864 -1.516 1.00 0.00 N ATOM 942 CA ARG A 68 -4.282 11.109 -2.749 1.00 0.00 C ATOM 943 C ARG A 68 -3.244 11.480 -3.821 1.00 0.00 C ATOM 944 O ARG A 68 -2.621 10.596 -4.409 1.00 0.00 O ATOM 945 CB ARG A 68 -5.732 11.302 -3.235 1.00 0.00 C ATOM 946 CG ARG A 68 -6.684 10.191 -2.764 1.00 0.00 C ATOM 947 CD ARG A 68 -7.090 10.240 -1.283 1.00 0.00 C ATOM 948 NE ARG A 68 -7.640 8.921 -0.906 1.00 0.00 N ATOM 949 CZ ARG A 68 -8.862 8.590 -0.472 1.00 0.00 C ATOM 950 NH1 ARG A 68 -9.656 9.436 0.168 1.00 0.00 N ATOM 951 NH2 ARG A 68 -9.311 7.367 -0.708 1.00 0.00 N ATOM 0 H ARG A 68 -4.854 12.431 -1.223 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.146 10.047 -2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.102 12.263 -2.879 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.741 11.341 -4.324 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.589 10.233 -3.371 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.213 9.228 -2.960 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.228 10.483 -0.661 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.832 11.021 -1.119 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.987 8.142 -0.990 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.344 10.390 0.350 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.579 9.133 0.478 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.728 6.698 -1.212 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.239 7.094 -0.386 1.00 0.00 H new ATOM 962 N GLU A 69 -2.996 12.773 -4.031 1.00 0.00 N ATOM 963 CA GLU A 69 -1.948 13.245 -4.924 1.00 0.00 C ATOM 964 C GLU A 69 -0.581 12.757 -4.447 1.00 0.00 C ATOM 965 O GLU A 69 0.162 12.138 -5.206 1.00 0.00 O ATOM 966 CB GLU A 69 -1.997 14.775 -5.024 1.00 0.00 C ATOM 967 CG GLU A 69 -2.822 15.231 -6.237 1.00 0.00 C ATOM 968 CD GLU A 69 -2.218 14.827 -7.581 1.00 0.00 C ATOM 969 OE1 GLU A 69 -1.003 15.041 -7.795 1.00 0.00 O ATOM 970 OE2 GLU A 69 -2.935 14.228 -8.413 1.00 0.00 O ATOM 0 H GLU A 69 -3.522 13.523 -3.582 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.113 12.835 -5.921 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.429 15.187 -4.112 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.984 15.169 -5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.826 14.813 -6.160 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.926 16.316 -6.207 1.00 0.00 H new ATOM 975 N LEU A 70 -0.267 12.969 -3.167 1.00 0.00 N ATOM 976 CA LEU A 70 0.966 12.454 -2.581 1.00 0.00 C ATOM 977 C LEU A 70 1.188 11.000 -2.971 1.00 0.00 C ATOM 978 O LEU A 70 2.266 10.599 -3.398 1.00 0.00 O ATOM 979 CB LEU A 70 0.983 12.526 -1.041 1.00 0.00 C ATOM 980 CG LEU A 70 2.301 11.981 -0.453 1.00 0.00 C ATOM 981 CD1 LEU A 70 3.549 12.457 -1.188 1.00 0.00 C ATOM 982 CD2 LEU A 70 2.497 12.394 1.002 1.00 0.00 C ATOM 0 H LEU A 70 -0.853 13.495 -2.518 1.00 0.00 H new ATOM 0 HA LEU A 70 1.757 13.093 -2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.845 13.560 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.144 11.956 -0.642 1.00 0.00 H new ATOM 0 HG LEU A 70 2.194 10.901 -0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.434 12.031 -0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.503 12.136 -2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.603 13.545 -1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.438 11.987 1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.520 13.482 1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.674 12.009 1.604 1.00 0.00 H new ATOM 993 N SER A 71 0.141 10.187 -2.860 1.00 0.00 N ATOM 994 CA SER A 71 0.328 8.765 -2.931 1.00 0.00 C ATOM 995 C SER A 71 0.788 8.275 -4.309 1.00 0.00 C ATOM 996 O SER A 71 1.326 7.180 -4.435 1.00 0.00 O ATOM 997 CB SER A 71 -0.946 8.081 -2.453 1.00 0.00 C ATOM 998 OG SER A 71 -1.935 8.092 -3.465 1.00 0.00 O ATOM 0 H SER A 71 -0.822 10.493 -2.723 1.00 0.00 H new ATOM 0 HA SER A 71 1.151 8.492 -2.270 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.726 7.053 -2.165 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.324 8.587 -1.564 1.00 0.00 H new ATOM 0 HG SER A 71 -2.126 9.017 -3.725 1.00 0.00 H new ATOM 1003 N LYS A 72 0.685 9.128 -5.327 1.00 0.00 N ATOM 1004 CA LYS A 72 1.296 8.895 -6.640 1.00 0.00 C ATOM 1005 C LYS A 72 2.802 8.607 -6.487 1.00 0.00 C ATOM 1006 O LYS A 72 3.362 7.770 -7.188 1.00 0.00 O ATOM 1007 CB LYS A 72 1.035 10.112 -7.542 1.00 0.00 C ATOM 1008 CG LYS A 72 -0.474 10.384 -7.623 1.00 0.00 C ATOM 1009 CD LYS A 72 -0.847 11.778 -8.141 1.00 0.00 C ATOM 1010 CE LYS A 72 -0.478 12.112 -9.584 1.00 0.00 C ATOM 1011 NZ LYS A 72 -0.922 13.496 -9.864 1.00 0.00 N ATOM 0 H LYS A 72 0.172 10.007 -5.266 1.00 0.00 H new ATOM 0 HA LYS A 72 0.847 8.019 -7.108 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.551 10.987 -7.146 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.435 9.930 -8.539 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.930 9.636 -8.272 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.907 10.252 -6.631 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.924 11.901 -8.032 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.374 12.516 -7.493 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.598 12.020 -9.733 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.956 11.413 -10.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.711 13.735 -10.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.946 13.572 -9.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.421 14.155 -9.235 1.00 0.00 H new ATOM 1021 N THR A 73 3.431 9.273 -5.512 1.00 0.00 N ATOM 1022 CA THR A 73 4.834 9.077 -5.096 1.00 0.00 C ATOM 1023 C THR A 73 5.100 7.823 -4.251 1.00 0.00 C ATOM 1024 O THR A 73 6.242 7.413 -4.059 1.00 0.00 O ATOM 1025 CB THR A 73 5.368 10.350 -4.398 1.00 0.00 C ATOM 1026 OG1 THR A 73 6.670 10.639 -4.861 1.00 0.00 O ATOM 1027 CG2 THR A 73 5.445 10.277 -2.862 1.00 0.00 C ATOM 0 H THR A 73 2.961 9.995 -4.965 1.00 0.00 H new ATOM 0 HA THR A 73 5.387 8.899 -6.018 1.00 0.00 H new ATOM 0 HB THR A 73 4.641 11.122 -4.651 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.003 11.447 -4.417 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.831 11.219 -2.472 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.450 10.097 -2.456 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.109 9.463 -2.569 1.00 0.00 H new ATOM 1035 N PHE A 74 4.036 7.218 -3.737 1.00 0.00 N ATOM 1036 CA PHE A 74 4.032 6.046 -2.869 1.00 0.00 C ATOM 1037 C PHE A 74 3.638 4.787 -3.632 1.00 0.00 C ATOM 1038 O PHE A 74 3.938 3.670 -3.219 1.00 0.00 O ATOM 1039 CB PHE A 74 3.033 6.345 -1.769 1.00 0.00 C ATOM 1040 CG PHE A 74 3.503 7.283 -0.671 1.00 0.00 C ATOM 1041 CD1 PHE A 74 4.833 7.754 -0.577 1.00 0.00 C ATOM 1042 CD2 PHE A 74 2.569 7.668 0.300 1.00 0.00 C ATOM 1043 CE1 PHE A 74 5.191 8.667 0.429 1.00 0.00 C ATOM 1044 CE2 PHE A 74 2.912 8.616 1.272 1.00 0.00 C ATOM 1045 CZ PHE A 74 4.200 9.164 1.288 1.00 0.00 C ATOM 0 H PHE A 74 3.092 7.554 -3.927 1.00 0.00 H new ATOM 0 HA PHE A 74 5.027 5.856 -2.467 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.140 6.772 -2.225 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.737 5.402 -1.310 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.576 7.411 -1.281 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.581 7.232 0.299 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.218 8.983 0.540 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.184 8.924 2.008 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.432 9.973 1.965 1.00 0.00 H new ATOM 1054 N ILE A 75 2.923 4.968 -4.735 1.00 0.00 N ATOM 1055 CA ILE A 75 2.489 3.874 -5.566 1.00 0.00 C ATOM 1056 C ILE A 75 3.659 3.219 -6.287 1.00 0.00 C ATOM 1057 O ILE A 75 4.594 3.876 -6.740 1.00 0.00 O ATOM 1058 CB ILE A 75 1.446 4.403 -6.564 1.00 0.00 C ATOM 1059 CG1 ILE A 75 0.097 4.328 -5.849 1.00 0.00 C ATOM 1060 CG2 ILE A 75 1.417 3.671 -7.916 1.00 0.00 C ATOM 1061 CD1 ILE A 75 -1.052 4.657 -6.781 1.00 0.00 C ATOM 0 H ILE A 75 2.631 5.885 -5.072 1.00 0.00 H new ATOM 0 HA ILE A 75 2.040 3.102 -4.940 1.00 0.00 H new ATOM 0 HB ILE A 75 1.708 5.424 -6.843 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.042 3.328 -5.439 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.092 5.021 -5.007 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.651 4.113 -8.553 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.389 3.763 -8.400 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.190 2.617 -7.754 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.993 4.593 -6.235 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.927 5.667 -7.170 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.064 3.948 -7.609 1.00 0.00 H new ATOM 1072 N ILE A 76 3.532 1.907 -6.447 1.00 0.00 N ATOM 1073 CA ILE A 76 4.387 1.098 -7.307 1.00 0.00 C ATOM 1074 C ILE A 76 3.592 0.532 -8.495 1.00 0.00 C ATOM 1075 O ILE A 76 4.156 0.309 -9.566 1.00 0.00 O ATOM 1076 CB ILE A 76 5.098 0.026 -6.476 1.00 0.00 C ATOM 1077 CG1 ILE A 76 4.074 -0.893 -5.801 1.00 0.00 C ATOM 1078 CG2 ILE A 76 6.009 0.695 -5.434 1.00 0.00 C ATOM 1079 CD1 ILE A 76 4.796 -1.967 -4.977 1.00 0.00 C ATOM 0 H ILE A 76 2.813 1.363 -5.970 1.00 0.00 H new ATOM 0 HA ILE A 76 5.165 1.723 -7.745 1.00 0.00 H new ATOM 0 HB ILE A 76 5.715 -0.586 -7.134 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.418 -0.308 -5.156 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.443 -1.364 -6.555 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.513 -0.072 -4.845 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.753 1.309 -5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.409 1.322 -4.775 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.061 -2.616 -4.501 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.434 -2.561 -5.632 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.407 -1.489 -4.212 1.00 0.00 H new ATOM 1090 N GLY A 77 2.275 0.332 -8.340 1.00 0.00 N ATOM 1091 CA GLY A 77 1.399 0.019 -9.464 1.00 0.00 C ATOM 1092 C GLY A 77 0.030 -0.514 -9.040 1.00 0.00 C ATOM 1093 O GLY A 77 -0.749 0.214 -8.437 1.00 0.00 O ATOM 0 H GLY A 77 1.797 0.383 -7.440 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.260 0.916 -10.067 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.887 -0.720 -10.100 1.00 0.00 H new ATOM 1097 N GLU A 78 -0.265 -1.777 -9.356 1.00 0.00 N ATOM 1098 CA GLU A 78 -1.551 -2.447 -9.138 1.00 0.00 C ATOM 1099 C GLU A 78 -1.339 -3.799 -8.456 1.00 0.00 C ATOM 1100 O GLU A 78 -0.247 -4.360 -8.489 1.00 0.00 O ATOM 1101 CB GLU A 78 -2.181 -2.738 -10.505 1.00 0.00 C ATOM 1102 CG GLU A 78 -3.028 -1.592 -11.081 1.00 0.00 C ATOM 1103 CD GLU A 78 -4.508 -1.696 -10.738 1.00 0.00 C ATOM 1104 OE1 GLU A 78 -4.882 -2.570 -9.930 1.00 0.00 O ATOM 1105 OE2 GLU A 78 -5.284 -0.920 -11.331 1.00 0.00 O ATOM 0 H GLU A 78 0.421 -2.392 -9.793 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.180 -1.806 -8.520 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.386 -2.975 -11.213 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.807 -3.626 -10.419 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.643 -0.643 -10.707 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.915 -1.577 -12.165 1.00 0.00 H new ATOM 1110 N LEU A 79 -2.429 -4.368 -7.949 1.00 0.00 N ATOM 1111 CA LEU A 79 -2.427 -5.690 -7.308 1.00 0.00 C ATOM 1112 C LEU A 79 -2.529 -6.874 -8.242 1.00 0.00 C ATOM 1113 O LEU A 79 -2.734 -7.981 -7.773 1.00 0.00 O ATOM 1114 CB LEU A 79 -3.446 -5.731 -6.162 1.00 0.00 C ATOM 1115 CG LEU A 79 -4.795 -6.415 -6.484 1.00 0.00 C ATOM 1116 CD1 LEU A 79 -4.955 -7.585 -5.522 1.00 0.00 C ATOM 1117 CD2 LEU A 79 -5.943 -5.432 -6.313 1.00 0.00 C ATOM 0 H LEU A 79 -3.348 -3.926 -7.969 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.428 -5.812 -6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.992 -6.246 -5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.646 -4.708 -5.842 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.809 -6.763 -7.517 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.899 -8.093 -5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.131 -8.285 -5.660 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.950 -7.216 -4.496 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.885 -5.929 -6.543 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.964 -5.073 -5.284 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.803 -4.588 -6.989 1.00 0.00 H new ATOM 1128 N HIS A 80 -2.388 -6.620 -9.542 1.00 0.00 N ATOM 1129 CA HIS A 80 -2.522 -7.581 -10.622 1.00 0.00 C ATOM 1130 C HIS A 80 -3.981 -7.881 -10.918 1.00 0.00 C ATOM 1131 O HIS A 80 -4.835 -7.826 -10.024 1.00 0.00 O ATOM 1132 CB HIS A 80 -1.683 -8.819 -10.339 1.00 0.00 C ATOM 1133 CG HIS A 80 -1.393 -9.763 -11.463 1.00 0.00 C ATOM 1134 ND1 HIS A 80 -1.929 -11.000 -11.698 1.00 0.00 N ATOM 1135 CD2 HIS A 80 -0.417 -9.556 -12.392 1.00 0.00 C ATOM 1136 CE1 HIS A 80 -1.378 -11.464 -12.832 1.00 0.00 C ATOM 1137 NE2 HIS A 80 -0.440 -10.622 -13.292 1.00 0.00 N ATOM 0 H HIS A 80 -2.165 -5.685 -9.883 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.126 -7.145 -11.539 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.728 -8.485 -9.933 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.183 -9.385 -9.553 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.257 -8.713 -12.426 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.654 -12.392 -13.310 1.00 0.00 H new ATOM 0 HE2 HIS A 80 0.136 -10.737 -14.126 1.00 0.00 H new ATOM 1144 N PRO A 81 -4.315 -8.142 -12.187 1.00 0.00 N ATOM 1145 CA PRO A 81 -5.647 -8.561 -12.512 1.00 0.00 C ATOM 1146 C PRO A 81 -5.869 -10.043 -12.272 1.00 0.00 C ATOM 1147 O PRO A 81 -7.002 -10.485 -12.441 1.00 0.00 O ATOM 1148 CB PRO A 81 -5.834 -8.223 -13.972 1.00 0.00 C ATOM 1149 CG PRO A 81 -4.439 -8.031 -14.568 1.00 0.00 C ATOM 1150 CD PRO A 81 -3.484 -8.153 -13.386 1.00 0.00 C ATOM 0 HA PRO A 81 -6.371 -8.055 -11.873 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.367 -9.022 -14.488 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.430 -7.317 -14.085 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.227 -8.785 -15.326 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.347 -7.058 -15.051 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.903 -9.073 -13.448 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.773 -7.327 -13.374 1.00 0.00 H new ATOM 1155 N ASP A 82 -4.842 -10.782 -11.837 1.00 0.00 N ATOM 1156 CA ASP A 82 -5.107 -12.191 -11.479 1.00 0.00 C ATOM 1157 C ASP A 82 -5.293 -12.336 -9.969 1.00 0.00 C ATOM 1158 O ASP A 82 -4.903 -13.329 -9.360 1.00 0.00 O ATOM 1159 CB ASP A 82 -4.094 -13.147 -12.136 1.00 0.00 C ATOM 1160 CG ASP A 82 -4.600 -14.576 -12.295 1.00 0.00 C ATOM 1161 OD1 ASP A 82 -5.804 -14.743 -12.586 1.00 0.00 O ATOM 1162 OD2 ASP A 82 -3.744 -15.479 -12.185 1.00 0.00 O ATOM 0 H ASP A 82 -3.880 -10.463 -11.727 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.059 -12.508 -11.904 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.826 -12.756 -13.118 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.183 -13.160 -11.538 1.00 0.00 H new ATOM 1166 N ASP A 83 -5.871 -11.284 -9.381 1.00 0.00 N ATOM 1167 CA ASP A 83 -5.941 -11.103 -7.957 1.00 0.00 C ATOM 1168 C ASP A 83 -7.169 -10.221 -7.637 1.00 0.00 C ATOM 1169 O ASP A 83 -8.128 -10.686 -7.025 1.00 0.00 O ATOM 1170 CB ASP A 83 -4.576 -10.484 -7.630 1.00 0.00 C ATOM 1171 CG ASP A 83 -4.018 -10.987 -6.320 1.00 0.00 C ATOM 1172 OD1 ASP A 83 -4.805 -11.062 -5.354 1.00 0.00 O ATOM 1173 OD2 ASP A 83 -2.805 -11.299 -6.319 1.00 0.00 O ATOM 0 H ASP A 83 -6.308 -10.527 -9.907 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.093 -11.999 -7.355 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.875 -10.712 -8.433 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.672 -9.399 -7.589 1.00 0.00 H new ATOM 1177 N ARG A 84 -7.169 -8.999 -8.193 1.00 0.00 N ATOM 1178 CA ARG A 84 -8.270 -8.020 -8.173 1.00 0.00 C ATOM 1179 C ARG A 84 -9.037 -7.868 -6.840 1.00 0.00 C ATOM 1180 O ARG A 84 -10.283 -7.750 -6.904 1.00 0.00 O ATOM 1181 CB ARG A 84 -9.235 -8.283 -9.342 1.00 0.00 C ATOM 1182 CG ARG A 84 -8.727 -8.111 -10.759 1.00 0.00 C ATOM 1183 CD ARG A 84 -8.346 -6.648 -11.079 1.00 0.00 C ATOM 1184 NE ARG A 84 -7.037 -6.319 -10.497 1.00 0.00 N ATOM 1185 CZ ARG A 84 -6.467 -5.139 -10.260 1.00 0.00 C ATOM 1186 NH1 ARG A 84 -7.021 -3.981 -10.574 1.00 0.00 N ATOM 1187 NH2 ARG A 84 -5.272 -5.122 -9.706 1.00 0.00 N ATOM 1188 OXT ARG A 84 -8.370 -7.750 -5.790 1.00 0.00 O ATOM 0 H ARG A 84 -6.355 -8.647 -8.697 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.777 -7.055 -8.290 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -9.601 -9.305 -9.244 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -10.093 -7.623 -9.216 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.857 -8.751 -10.910 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.493 -8.445 -11.459 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.318 -6.501 -12.159 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.106 -5.973 -10.685 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.473 -7.126 -10.231 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.936 -3.959 -11.024 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.534 -3.109 -10.366 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.807 -5.998 -9.470 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.812 -4.232 -9.513 1.00 0.00 H new TER 1199 ARG A 84 HETATM 1200 FE HEM A 201 -2.570 8.500 6.495 1.00 0.00 FE HETATM 1201 CHA HEM A 201 -3.332 11.285 8.431 1.00 0.00 C HETATM 1202 CHB HEM A 201 -1.064 10.626 4.148 1.00 0.00 C HETATM 1203 CHC HEM A 201 -2.233 5.851 4.316 1.00 0.00 C HETATM 1204 CHD HEM A 201 -4.160 6.479 8.824 1.00 0.00 C HETATM 1205 NA HEM A 201 -2.181 10.552 6.360 1.00 0.00 N HETATM 1206 C1A HEM A 201 -2.624 11.475 7.254 1.00 0.00 C HETATM 1207 C2A HEM A 201 -2.354 12.779 6.708 1.00 0.00 C HETATM 1208 C3A HEM A 201 -1.595 12.603 5.578 1.00 0.00 C HETATM 1209 C4A HEM A 201 -1.576 11.186 5.307 1.00 0.00 C HETATM 1210 CMA HEM A 201 -0.998 13.700 4.730 1.00 0.00 C HETATM 1211 CAA HEM A 201 -3.088 14.036 7.113 1.00 0.00 C HETATM 1212 CBA HEM A 201 -4.565 13.998 6.730 1.00 0.00 C HETATM 1213 CGA HEM A 201 -4.846 14.146 5.228 1.00 0.00 C HETATM 1214 O1A HEM A 201 -5.822 13.516 4.761 1.00 0.00 O HETATM 1215 O2A HEM A 201 -4.106 14.897 4.559 1.00 0.00 O HETATM 1216 NB HEM A 201 -1.708 8.263 4.639 1.00 0.00 N HETATM 1217 C1B HEM A 201 -1.152 9.267 3.869 1.00 0.00 C HETATM 1218 C2B HEM A 201 -0.739 8.688 2.615 1.00 0.00 C HETATM 1219 C3B HEM A 201 -1.020 7.346 2.713 1.00 0.00 C HETATM 1220 C4B HEM A 201 -1.697 7.084 3.953 1.00 0.00 C HETATM 1221 CMB HEM A 201 -0.341 9.464 1.382 1.00 0.00 C HETATM 1222 CAB HEM A 201 -0.565 6.267 1.762 1.00 0.00 C HETATM 1223 CBB HEM A 201 -0.943 6.289 0.472 1.00 0.00 C HETATM 1224 NC HEM A 201 -3.093 6.524 6.554 1.00 0.00 N HETATM 1225 C1C HEM A 201 -2.891 5.634 5.524 1.00 0.00 C HETATM 1226 C2C HEM A 201 -3.523 4.391 5.893 1.00 0.00 C HETATM 1227 C3C HEM A 201 -3.973 4.568 7.180 1.00 0.00 C HETATM 1228 C4C HEM A 201 -3.747 5.925 7.597 1.00 0.00 C HETATM 1229 CMC HEM A 201 -3.679 3.161 5.029 1.00 0.00 C HETATM 1230 CAC HEM A 201 -4.803 3.578 7.952 1.00 0.00 C HETATM 1231 CBC HEM A 201 -4.256 2.427 8.390 1.00 0.00 C HETATM 1232 ND HEM A 201 -3.522 8.822 8.345 1.00 0.00 N HETATM 1233 C1D HEM A 201 -4.056 7.842 9.121 1.00 0.00 C HETATM 1234 C2D HEM A 201 -4.520 8.468 10.339 1.00 0.00 C HETATM 1235 C3D HEM A 201 -4.416 9.832 10.165 1.00 0.00 C HETATM 1236 C4D HEM A 201 -3.700 10.040 8.928 1.00 0.00 C HETATM 1237 CMD HEM A 201 -4.996 7.757 11.584 1.00 0.00 C HETATM 1238 CAD HEM A 201 -4.935 10.919 11.089 1.00 0.00 C HETATM 1239 CBD HEM A 201 -6.393 10.793 11.523 1.00 0.00 C HETATM 1240 CGD HEM A 201 -6.770 11.895 12.502 1.00 0.00 C HETATM 1241 O1D HEM A 201 -7.107 11.542 13.653 1.00 0.00 O HETATM 1242 O2D HEM A 201 -6.695 13.070 12.084 1.00 0.00 O HETATM 0 HMA1 HEM A 201 -0.130 13.315 4.195 1.00 0.00 H new HETATM 0 HMA2 HEM A 201 -0.692 14.528 5.369 1.00 0.00 H new HETATM 0 HMA3 HEM A 201 -1.740 14.051 4.013 1.00 0.00 H new HETATM 0 HMB1 HEM A 201 0.389 8.891 0.811 1.00 0.00 H new HETATM 0 HMB2 HEM A 201 0.097 10.417 1.678 1.00 0.00 H new HETATM 0 HMB3 HEM A 201 -1.222 9.645 0.766 1.00 0.00 H new HETATM 0 HMC1 HEM A 201 -3.748 3.458 3.982 1.00 0.00 H new HETATM 0 HMC2 HEM A 201 -4.585 2.628 5.316 1.00 0.00 H new HETATM 0 HMC3 HEM A 201 -2.816 2.509 5.165 1.00 0.00 H new HETATM 0 HMD1 HEM A 201 -4.779 8.370 12.459 1.00 0.00 H new HETATM 0 HMD2 HEM A 201 -4.482 6.800 11.675 1.00 0.00 H new HETATM 0 HMD3 HEM A 201 -6.071 7.587 11.517 1.00 0.00 H new HETATM 0 HBB1 HEM A 201 -0.609 5.505 -0.207 1.00 0.00 H new HETATM 0 HBB2 HEM A 201 -1.584 7.091 0.105 1.00 0.00 H new HETATM 0 HBC1 HEM A 201 -4.862 1.714 8.949 1.00 0.00 H new HETATM 0 HBC2 HEM A 201 -3.208 2.209 8.186 1.00 0.00 H new HETATM 0 HBA1 HEM A 201 -5.084 14.795 7.262 1.00 0.00 H new HETATM 0 HBA2 HEM A 201 -4.991 13.055 7.073 1.00 0.00 H new HETATM 0 HAA1 HEM A 201 -2.615 14.897 6.641 1.00 0.00 H new HETATM 0 HAA2 HEM A 201 -2.999 14.174 8.191 1.00 0.00 H new HETATM 0 HBD1 HEM A 201 -6.555 9.820 11.986 1.00 0.00 H new HETATM 0 HBD2 HEM A 201 -7.042 10.842 10.648 1.00 0.00 H new HETATM 0 HAD1 HEM A 201 -4.807 11.881 10.593 1.00 0.00 H new HETATM 0 HAD2 HEM A 201 -4.311 10.936 11.983 1.00 0.00 H new HETATM 0 HHA HEM A 201 -3.616 12.160 8.998 1.00 0.00 H new HETATM 0 HHB HEM A 201 -0.577 11.271 3.432 1.00 0.00 H new HETATM 0 HHC HEM A 201 -2.134 5.024 3.628 1.00 0.00 H new HETATM 0 HHD HEM A 201 -4.577 5.820 9.571 1.00 0.00 H new HETATM 0 HAB HEM A 201 0.076 5.463 2.124 1.00 0.00 H new HETATM 0 HAC HEM A 201 -5.852 3.793 8.158 1.00 0.00 H new