USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 604 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 SER OG : rot 27:sc= 0.0928 USER MOD Single : A 11 ASN : amide:sc= -0.186 K(o=-0.19,f=-1.3) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl -152:sc= 0 (180deg=-0.779) USER MOD Single : A 27 TYR OH : rot 130:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.0607 X(o=-0.061,f=-0.059) USER MOD Single : A 35 THR OG1 : rot -160:sc= -0.513 USER MOD Single : A 40 MET CE :methyl 164:sc= -0.117 (180deg=-0.513) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -20:sc= 0.6 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0295 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0206 USER MOD Single : A 55 HIS : no HD1:sc= -0.317 X(o=-0.32,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -174:sc= 1.27 (180deg=1.18) USER MOD Single : A 64 GLN : amide:sc= -5.49! C(o=-5.5!,f=-4.4!) USER MOD Single : A 65 ASN : amide:sc= 1.04 K(o=1,f=-0.3) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 163:sc= 1.28 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 74 LYS NZ :NH3+ 169:sc= -0.0086 (180deg=-0.121) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 7 2.486 -2.624 -3.123 1.00 0.00 N ATOM 2 CA SER A 7 2.688 -2.055 -4.439 1.00 0.00 C ATOM 3 C SER A 7 2.785 -3.165 -5.485 1.00 0.00 C ATOM 4 O SER A 7 3.632 -4.058 -5.385 1.00 0.00 O ATOM 5 CB SER A 7 3.942 -1.193 -4.433 1.00 0.00 C ATOM 6 OG SER A 7 3.834 -0.156 -3.456 1.00 0.00 O ATOM 0 HA SER A 7 1.837 -1.426 -4.699 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.814 -1.811 -4.220 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.094 -0.756 -5.420 1.00 0.00 H new ATOM 0 HG SER A 7 3.227 -0.442 -2.741 1.00 0.00 H new ATOM 12 N GLY A 8 1.906 -3.122 -6.463 1.00 0.00 N ATOM 13 CA GLY A 8 1.889 -4.122 -7.490 1.00 0.00 C ATOM 14 C GLY A 8 0.531 -4.767 -7.610 1.00 0.00 C ATOM 15 O GLY A 8 -0.495 -4.060 -7.706 1.00 0.00 O ATOM 0 H GLY A 8 1.194 -2.399 -6.562 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.164 -3.671 -8.443 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.637 -4.884 -7.270 1.00 0.00 H new ATOM 19 N ARG A 9 0.500 -6.083 -7.519 1.00 0.00 N ATOM 20 CA ARG A 9 -0.710 -6.858 -7.703 1.00 0.00 C ATOM 21 C ARG A 9 -1.583 -6.887 -6.466 1.00 0.00 C ATOM 22 O ARG A 9 -1.670 -7.900 -5.779 1.00 0.00 O ATOM 23 CB ARG A 9 -0.424 -8.298 -8.119 1.00 0.00 C ATOM 24 CG ARG A 9 0.162 -8.499 -9.492 1.00 0.00 C ATOM 25 CD ARG A 9 0.302 -9.985 -9.755 1.00 0.00 C ATOM 26 NE ARG A 9 0.776 -10.295 -11.099 1.00 0.00 N ATOM 27 CZ ARG A 9 0.677 -11.508 -11.669 1.00 0.00 C ATOM 28 NH1 ARG A 9 0.071 -12.512 -11.027 1.00 0.00 N1+ ATOM 29 NH2 ARG A 9 1.161 -11.717 -12.876 1.00 0.00 N ATOM 0 H ARG A 9 1.323 -6.649 -7.313 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.243 -6.347 -8.505 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.259 -8.734 -7.390 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.355 -8.861 -8.060 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.479 -8.042 -10.246 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.134 -8.011 -9.562 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.992 -10.411 -9.027 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.663 -10.466 -9.599 1.00 0.00 H new ATOM 0 HE ARG A 9 1.209 -9.546 -11.639 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.321 -12.360 -10.097 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.000 -13.430 -11.467 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.614 -10.956 -13.383 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.083 -12.640 -13.304 1.00 0.00 H new ATOM 43 N GLU A 10 -2.152 -5.781 -6.138 1.00 0.00 N ATOM 44 CA GLU A 10 -3.116 -5.733 -5.099 1.00 0.00 C ATOM 45 C GLU A 10 -4.453 -5.399 -5.693 1.00 0.00 C ATOM 46 O GLU A 10 -4.593 -4.384 -6.390 1.00 0.00 O ATOM 47 CB GLU A 10 -2.799 -4.693 -4.028 1.00 0.00 C ATOM 48 CG GLU A 10 -1.583 -4.944 -3.158 1.00 0.00 C ATOM 49 CD GLU A 10 -0.275 -4.693 -3.848 1.00 0.00 C ATOM 50 OE1 GLU A 10 0.024 -3.514 -4.148 1.00 0.00 O ATOM 51 OE2 GLU A 10 0.496 -5.645 -4.054 1.00 0.00 O1- ATOM 0 H GLU A 10 -1.961 -4.884 -6.584 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.112 -6.712 -4.619 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.669 -3.729 -4.521 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.668 -4.603 -3.376 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.644 -4.308 -2.275 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.606 -5.977 -2.809 1.00 0.00 H new ATOM 58 N ASN A 11 -5.420 -6.241 -5.461 1.00 0.00 N ATOM 59 CA ASN A 11 -6.779 -5.955 -5.878 1.00 0.00 C ATOM 60 C ASN A 11 -7.589 -5.672 -4.627 1.00 0.00 C ATOM 61 O ASN A 11 -8.797 -5.941 -4.535 1.00 0.00 O ATOM 62 CB ASN A 11 -7.407 -7.106 -6.682 1.00 0.00 C ATOM 63 CG ASN A 11 -8.717 -6.675 -7.370 1.00 0.00 C ATOM 64 OD1 ASN A 11 -8.869 -5.515 -7.757 1.00 0.00 O ATOM 65 ND2 ASN A 11 -9.652 -7.579 -7.525 1.00 0.00 N ATOM 0 H ASN A 11 -5.300 -7.135 -4.985 1.00 0.00 H new ATOM 0 HA ASN A 11 -6.773 -5.094 -6.547 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -6.698 -7.453 -7.434 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.605 -7.948 -6.018 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.533 -7.330 -7.976 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.500 -8.532 -7.195 1.00 0.00 H new ATOM 72 N LEU A 12 -6.904 -5.128 -3.639 1.00 0.00 N ATOM 73 CA LEU A 12 -7.541 -4.688 -2.430 1.00 0.00 C ATOM 74 C LEU A 12 -8.152 -3.349 -2.687 1.00 0.00 C ATOM 75 O LEU A 12 -7.525 -2.315 -2.448 1.00 0.00 O ATOM 76 CB LEU A 12 -6.605 -4.649 -1.208 1.00 0.00 C ATOM 77 CG LEU A 12 -6.119 -6.000 -0.679 1.00 0.00 C ATOM 78 CD1 LEU A 12 -5.051 -6.621 -1.573 1.00 0.00 C ATOM 79 CD2 LEU A 12 -5.639 -5.888 0.754 1.00 0.00 C ATOM 0 H LEU A 12 -5.895 -4.983 -3.659 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.305 -5.420 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.732 -4.049 -1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.121 -4.131 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.976 -6.673 -0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.738 -7.578 -1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.458 -6.777 -2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.192 -5.953 -1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.300 -6.864 1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.814 -5.177 0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.457 -5.542 1.386 1.00 0.00 H new ATOM 91 N TYR A 13 -9.297 -3.443 -3.339 1.00 0.00 N ATOM 92 CA TYR A 13 -10.188 -2.394 -3.754 1.00 0.00 C ATOM 93 C TYR A 13 -9.552 -1.056 -4.040 1.00 0.00 C ATOM 94 O TYR A 13 -9.204 -0.305 -3.124 1.00 0.00 O ATOM 95 CB TYR A 13 -11.395 -2.331 -2.854 1.00 0.00 C ATOM 96 CG TYR A 13 -12.128 -3.652 -2.852 1.00 0.00 C ATOM 97 CD1 TYR A 13 -12.835 -4.069 -3.974 1.00 0.00 C ATOM 98 CD2 TYR A 13 -12.072 -4.505 -1.762 1.00 0.00 C ATOM 99 CE1 TYR A 13 -13.470 -5.291 -3.999 1.00 0.00 C ATOM 100 CE2 TYR A 13 -12.697 -5.731 -1.783 1.00 0.00 C ATOM 101 CZ TYR A 13 -13.397 -6.117 -2.904 1.00 0.00 C ATOM 102 OH TYR A 13 -14.027 -7.340 -2.926 1.00 0.00 O ATOM 0 H TYR A 13 -9.656 -4.357 -3.616 1.00 0.00 H new ATOM 0 HA TYR A 13 -10.531 -2.678 -4.749 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -11.086 -2.079 -1.840 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -12.064 -1.538 -3.189 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -12.887 -3.425 -4.839 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -11.528 -4.202 -0.880 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -14.022 -5.598 -4.875 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -12.639 -6.386 -0.926 1.00 0.00 H new ATOM 0 HH TYR A 13 -13.877 -7.801 -2.074 1.00 0.00 H new ATOM 112 N PHE A 14 -9.392 -0.770 -5.330 1.00 0.00 N ATOM 113 CA PHE A 14 -8.793 0.476 -5.777 1.00 0.00 C ATOM 114 C PHE A 14 -9.669 1.653 -5.392 1.00 0.00 C ATOM 115 O PHE A 14 -10.657 1.960 -6.063 1.00 0.00 O ATOM 116 CB PHE A 14 -8.555 0.492 -7.290 1.00 0.00 C ATOM 117 CG PHE A 14 -7.655 -0.599 -7.806 1.00 0.00 C ATOM 118 CD1 PHE A 14 -6.295 -0.585 -7.541 1.00 0.00 C ATOM 119 CD2 PHE A 14 -8.170 -1.627 -8.576 1.00 0.00 C ATOM 120 CE1 PHE A 14 -5.471 -1.580 -8.033 1.00 0.00 C ATOM 121 CE2 PHE A 14 -7.353 -2.623 -9.067 1.00 0.00 C ATOM 122 CZ PHE A 14 -6.003 -2.599 -8.796 1.00 0.00 C ATOM 0 H PHE A 14 -9.673 -1.393 -6.087 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.825 0.559 -5.282 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.518 0.416 -7.795 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -8.126 1.456 -7.565 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -5.875 0.211 -6.944 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.227 -1.649 -8.795 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.412 -1.560 -7.820 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.771 -3.421 -9.663 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.361 -3.378 -9.181 1.00 0.00 H new ATOM 132 N GLN A 15 -9.345 2.234 -4.284 1.00 0.00 N ATOM 133 CA GLN A 15 -9.970 3.337 -3.741 1.00 0.00 C ATOM 134 C GLN A 15 -8.994 3.919 -2.747 1.00 0.00 C ATOM 135 O GLN A 15 -8.449 3.206 -1.907 1.00 0.00 O ATOM 136 CB GLN A 15 -11.293 2.952 -3.071 1.00 0.00 C ATOM 137 CG GLN A 15 -11.179 1.928 -1.972 1.00 0.00 C ATOM 138 CD GLN A 15 -12.499 1.606 -1.308 1.00 0.00 C ATOM 139 OE1 GLN A 15 -13.409 2.443 -1.232 1.00 0.00 O ATOM 140 NE2 GLN A 15 -12.618 0.409 -0.804 1.00 0.00 N ATOM 0 H GLN A 15 -8.570 1.902 -3.709 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.228 4.066 -4.509 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -11.750 3.853 -2.661 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -11.971 2.569 -3.834 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.755 1.012 -2.383 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.481 2.292 -1.218 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.849 -0.257 -0.884 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.480 0.139 -0.330 1.00 0.00 H new ATOM 149 N GLY A 16 -8.698 5.155 -2.911 1.00 0.00 N ATOM 150 CA GLY A 16 -7.801 5.847 -2.015 1.00 0.00 C ATOM 151 C GLY A 16 -8.442 6.118 -0.672 1.00 0.00 C ATOM 152 O GLY A 16 -7.741 6.411 0.305 1.00 0.00 O ATOM 0 H GLY A 16 -9.064 5.732 -3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.899 5.252 -1.873 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.493 6.790 -2.467 1.00 0.00 H new ATOM 156 N HIS A 17 -9.777 6.005 -0.637 1.00 0.00 N ATOM 157 CA HIS A 17 -10.595 6.218 0.555 1.00 0.00 C ATOM 158 C HIS A 17 -10.526 7.674 0.981 1.00 0.00 C ATOM 159 O HIS A 17 -9.620 8.108 1.705 1.00 0.00 O ATOM 160 CB HIS A 17 -10.236 5.240 1.704 1.00 0.00 C ATOM 161 CG HIS A 17 -11.078 5.378 2.957 1.00 0.00 C ATOM 162 ND1 HIS A 17 -12.280 4.732 3.157 1.00 0.00 N ATOM 163 CD2 HIS A 17 -10.863 6.107 4.079 1.00 0.00 C ATOM 164 CE1 HIS A 17 -12.749 5.079 4.356 1.00 0.00 C ATOM 165 NE2 HIS A 17 -11.925 5.920 4.963 1.00 0.00 N ATOM 0 H HIS A 17 -10.327 5.757 -1.459 1.00 0.00 H new ATOM 0 HA HIS A 17 -11.631 5.992 0.301 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -10.330 4.219 1.333 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -9.189 5.387 1.971 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -10.003 6.735 4.260 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -13.677 4.722 4.776 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -12.043 6.342 5.884 1.00 0.00 H new ATOM 173 N MET A 18 -11.466 8.413 0.506 1.00 0.00 N ATOM 174 CA MET A 18 -11.520 9.829 0.708 1.00 0.00 C ATOM 175 C MET A 18 -12.995 10.186 0.814 1.00 0.00 C ATOM 176 O MET A 18 -13.838 9.420 0.336 1.00 0.00 O ATOM 177 CB MET A 18 -10.854 10.489 -0.509 1.00 0.00 C ATOM 178 CG MET A 18 -10.548 11.965 -0.409 1.00 0.00 C ATOM 179 SD MET A 18 -9.749 12.552 -1.920 1.00 0.00 S ATOM 180 CE MET A 18 -9.325 14.222 -1.464 1.00 0.00 C ATOM 0 H MET A 18 -12.240 8.047 -0.048 1.00 0.00 H new ATOM 0 HA MET A 18 -11.002 10.167 1.606 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.921 9.963 -0.711 1.00 0.00 H new ATOM 0 HB3 MET A 18 -11.500 10.335 -1.373 1.00 0.00 H new ATOM 0 HG2 MET A 18 -11.469 12.522 -0.238 1.00 0.00 H new ATOM 0 HG3 MET A 18 -9.900 12.150 0.447 1.00 0.00 H new ATOM 0 HE1 MET A 18 -9.299 14.847 -2.356 1.00 0.00 H new ATOM 0 HE2 MET A 18 -10.071 14.610 -0.771 1.00 0.00 H new ATOM 0 HE3 MET A 18 -8.346 14.231 -0.986 1.00 0.00 H new ATOM 190 N ALA A 19 -13.328 11.330 1.396 1.00 0.00 N ATOM 191 CA ALA A 19 -14.733 11.690 1.660 1.00 0.00 C ATOM 192 C ALA A 19 -15.484 12.190 0.413 1.00 0.00 C ATOM 193 O ALA A 19 -16.543 12.806 0.518 1.00 0.00 O ATOM 194 CB ALA A 19 -14.818 12.692 2.798 1.00 0.00 C ATOM 0 H ALA A 19 -12.652 12.031 1.698 1.00 0.00 H new ATOM 0 HA ALA A 19 -15.240 10.772 1.957 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.862 12.948 2.981 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.388 12.256 3.700 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.265 13.593 2.532 1.00 0.00 H new ATOM 200 N ALA A 20 -14.955 11.839 -0.732 1.00 0.00 N ATOM 201 CA ALA A 20 -15.480 12.207 -2.048 1.00 0.00 C ATOM 202 C ALA A 20 -15.850 13.686 -2.179 1.00 0.00 C ATOM 203 O ALA A 20 -17.038 14.029 -2.242 1.00 0.00 O ATOM 204 CB ALA A 20 -16.652 11.322 -2.455 1.00 0.00 C ATOM 0 H ALA A 20 -14.113 11.266 -0.789 1.00 0.00 H new ATOM 0 HA ALA A 20 -14.655 12.037 -2.739 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -17.014 11.626 -3.437 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -16.327 10.282 -2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -17.455 11.423 -1.725 1.00 0.00 H new ATOM 210 N PRO A 21 -14.864 14.597 -2.146 1.00 0.00 N ATOM 211 CA PRO A 21 -15.130 16.008 -2.389 1.00 0.00 C ATOM 212 C PRO A 21 -15.451 16.189 -3.858 1.00 0.00 C ATOM 213 O PRO A 21 -16.310 16.986 -4.239 1.00 0.00 O ATOM 214 CB PRO A 21 -13.807 16.698 -2.026 1.00 0.00 C ATOM 215 CG PRO A 21 -13.032 15.673 -1.274 1.00 0.00 C ATOM 216 CD PRO A 21 -13.450 14.358 -1.837 1.00 0.00 C ATOM 0 HA PRO A 21 -15.967 16.411 -1.819 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.272 17.021 -2.919 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.979 17.587 -1.419 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.960 15.827 -1.394 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -13.244 15.727 -0.206 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -12.877 14.093 -2.726 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -13.320 13.547 -1.120 1.00 0.00 H new ATOM 224 N ALA A 22 -14.770 15.397 -4.663 1.00 0.00 N ATOM 225 CA ALA A 22 -14.981 15.350 -6.071 1.00 0.00 C ATOM 226 C ALA A 22 -16.117 14.405 -6.359 1.00 0.00 C ATOM 227 O ALA A 22 -16.070 13.222 -5.989 1.00 0.00 O ATOM 228 CB ALA A 22 -13.722 14.885 -6.784 1.00 0.00 C ATOM 0 H ALA A 22 -14.043 14.761 -4.336 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.227 16.348 -6.434 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.902 14.855 -7.859 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.907 15.577 -6.572 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.452 13.889 -6.434 1.00 0.00 H new ATOM 234 N ARG A 23 -17.143 14.924 -6.950 1.00 0.00 N ATOM 235 CA ARG A 23 -18.300 14.134 -7.334 1.00 0.00 C ATOM 236 C ARG A 23 -18.473 14.205 -8.832 1.00 0.00 C ATOM 237 O ARG A 23 -19.210 13.421 -9.446 1.00 0.00 O ATOM 238 CB ARG A 23 -19.557 14.594 -6.571 1.00 0.00 C ATOM 239 CG ARG A 23 -19.485 14.277 -5.077 1.00 0.00 C ATOM 240 CD ARG A 23 -20.597 14.931 -4.260 1.00 0.00 C ATOM 241 NE ARG A 23 -21.959 14.577 -4.701 1.00 0.00 N ATOM 242 CZ ARG A 23 -22.839 13.857 -3.988 1.00 0.00 C ATOM 243 NH1 ARG A 23 -22.447 13.183 -2.908 1.00 0.00 N1+ ATOM 244 NH2 ARG A 23 -24.107 13.790 -4.377 1.00 0.00 N ATOM 0 H ARG A 23 -17.217 15.913 -7.188 1.00 0.00 H new ATOM 0 HA ARG A 23 -18.143 13.091 -7.061 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -19.687 15.668 -6.705 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -20.435 14.111 -7.000 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -19.532 13.197 -4.940 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -18.520 14.605 -4.690 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -20.480 14.646 -3.214 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -20.481 16.014 -4.310 1.00 0.00 H new ATOM 0 HE ARG A 23 -22.256 14.905 -5.620 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -21.470 13.211 -2.616 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -23.124 12.639 -2.373 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -24.410 14.285 -5.216 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -24.778 13.243 -3.837 1.00 0.00 H new ATOM 258 N PHE A 24 -17.756 15.123 -9.427 1.00 0.00 N ATOM 259 CA PHE A 24 -17.741 15.295 -10.842 1.00 0.00 C ATOM 260 C PHE A 24 -16.303 15.443 -11.273 1.00 0.00 C ATOM 261 O PHE A 24 -15.428 15.674 -10.449 1.00 0.00 O ATOM 262 CB PHE A 24 -18.535 16.549 -11.284 1.00 0.00 C ATOM 263 CG PHE A 24 -20.008 16.532 -10.969 1.00 0.00 C ATOM 264 CD1 PHE A 24 -20.473 16.892 -9.713 1.00 0.00 C ATOM 265 CD2 PHE A 24 -20.923 16.159 -11.934 1.00 0.00 C ATOM 266 CE1 PHE A 24 -21.821 16.878 -9.431 1.00 0.00 C ATOM 267 CE2 PHE A 24 -22.274 16.146 -11.656 1.00 0.00 C ATOM 268 CZ PHE A 24 -22.722 16.503 -10.405 1.00 0.00 C ATOM 0 H PHE A 24 -17.158 15.780 -8.925 1.00 0.00 H new ATOM 0 HA PHE A 24 -18.214 14.429 -11.306 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -18.091 17.424 -10.810 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -18.413 16.673 -12.360 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -19.770 17.187 -8.948 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -20.577 15.874 -12.917 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -22.172 17.160 -8.449 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -22.980 15.856 -12.420 1.00 0.00 H new ATOM 0 HZ PHE A 24 -23.779 16.489 -10.186 1.00 0.00 H new ATOM 278 N CYS A 25 -16.060 15.271 -12.519 1.00 0.00 N ATOM 279 CA CYS A 25 -14.779 15.508 -13.083 1.00 0.00 C ATOM 280 C CYS A 25 -14.938 16.443 -14.248 1.00 0.00 C ATOM 281 O CYS A 25 -15.897 16.323 -15.028 1.00 0.00 O ATOM 282 CB CYS A 25 -14.122 14.206 -13.519 1.00 0.00 C ATOM 283 SG CYS A 25 -13.600 13.122 -12.152 1.00 0.00 S ATOM 0 H CYS A 25 -16.759 14.955 -13.192 1.00 0.00 H new ATOM 0 HA CYS A 25 -14.129 15.959 -12.333 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -14.819 13.658 -14.153 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -13.251 14.441 -14.131 1.00 0.00 H new ATOM 288 N VAL A 26 -14.060 17.393 -14.339 1.00 0.00 N ATOM 289 CA VAL A 26 -14.092 18.376 -15.389 1.00 0.00 C ATOM 290 C VAL A 26 -13.123 17.949 -16.464 1.00 0.00 C ATOM 291 O VAL A 26 -11.936 17.808 -16.198 1.00 0.00 O ATOM 292 CB VAL A 26 -13.657 19.761 -14.862 1.00 0.00 C ATOM 293 CG1 VAL A 26 -13.959 20.833 -15.868 1.00 0.00 C ATOM 294 CG2 VAL A 26 -14.289 20.080 -13.524 1.00 0.00 C ATOM 0 H VAL A 26 -13.290 17.513 -13.681 1.00 0.00 H new ATOM 0 HA VAL A 26 -15.109 18.451 -15.774 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.578 19.727 -14.709 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.644 21.800 -15.475 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.422 20.625 -16.794 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.030 20.854 -16.067 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.957 21.063 -13.190 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -15.374 20.079 -13.625 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.992 19.328 -12.793 1.00 0.00 H new ATOM 304 N TYR A 27 -13.626 17.720 -17.645 1.00 0.00 N ATOM 305 CA TYR A 27 -12.800 17.298 -18.753 1.00 0.00 C ATOM 306 C TYR A 27 -12.373 18.471 -19.591 1.00 0.00 C ATOM 307 O TYR A 27 -13.142 19.435 -19.792 1.00 0.00 O ATOM 308 CB TYR A 27 -13.493 16.252 -19.623 1.00 0.00 C ATOM 309 CG TYR A 27 -13.669 14.899 -18.951 1.00 0.00 C ATOM 310 CD1 TYR A 27 -14.569 14.727 -17.908 1.00 0.00 C ATOM 311 CD2 TYR A 27 -12.925 13.794 -19.355 1.00 0.00 C ATOM 312 CE1 TYR A 27 -14.723 13.504 -17.295 1.00 0.00 C ATOM 313 CE2 TYR A 27 -13.083 12.569 -18.743 1.00 0.00 C ATOM 314 CZ TYR A 27 -13.983 12.433 -17.713 1.00 0.00 C ATOM 315 OH TYR A 27 -14.154 11.211 -17.104 1.00 0.00 O ATOM 0 H TYR A 27 -14.616 17.819 -17.871 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.913 16.835 -18.322 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -14.473 16.630 -19.915 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.917 16.118 -20.539 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -15.158 15.567 -17.572 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.213 13.898 -20.160 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.428 13.391 -16.485 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.502 11.720 -19.071 1.00 0.00 H new ATOM 0 HH TYR A 27 -14.287 10.521 -17.787 1.00 0.00 H new ATOM 325 N TYR A 28 -11.168 18.395 -20.067 1.00 0.00 N ATOM 326 CA TYR A 28 -10.572 19.421 -20.866 1.00 0.00 C ATOM 327 C TYR A 28 -9.885 18.810 -22.084 1.00 0.00 C ATOM 328 O TYR A 28 -9.450 17.651 -22.047 1.00 0.00 O ATOM 329 CB TYR A 28 -9.510 20.176 -20.073 1.00 0.00 C ATOM 330 CG TYR A 28 -9.958 20.899 -18.816 1.00 0.00 C ATOM 331 CD1 TYR A 28 -9.987 20.250 -17.592 1.00 0.00 C ATOM 332 CD2 TYR A 28 -10.309 22.241 -18.851 1.00 0.00 C ATOM 333 CE1 TYR A 28 -10.360 20.912 -16.446 1.00 0.00 C ATOM 334 CE2 TYR A 28 -10.676 22.914 -17.704 1.00 0.00 C ATOM 335 CZ TYR A 28 -10.701 22.243 -16.504 1.00 0.00 C ATOM 336 OH TYR A 28 -11.055 22.912 -15.351 1.00 0.00 O ATOM 0 H TYR A 28 -10.555 17.596 -19.906 1.00 0.00 H new ATOM 0 HA TYR A 28 -11.368 20.100 -21.172 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.731 19.467 -19.794 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -9.051 20.908 -20.737 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -9.712 19.207 -17.537 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -10.295 22.768 -19.793 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -10.385 20.388 -15.502 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -10.942 23.960 -17.748 1.00 0.00 H new ATOM 0 HH TYR A 28 -11.266 23.845 -15.566 1.00 0.00 H new ATOM 346 N ASP A 29 -9.801 19.597 -23.134 1.00 0.00 N ATOM 347 CA ASP A 29 -9.101 19.248 -24.369 1.00 0.00 C ATOM 348 C ASP A 29 -7.738 19.856 -24.317 1.00 0.00 C ATOM 349 O ASP A 29 -7.613 21.092 -24.316 1.00 0.00 O ATOM 350 CB ASP A 29 -9.828 19.851 -25.592 1.00 0.00 C ATOM 351 CG ASP A 29 -9.133 19.574 -26.943 1.00 0.00 C ATOM 352 OD1 ASP A 29 -8.030 20.117 -27.201 1.00 0.00 O ATOM 353 OD2 ASP A 29 -9.703 18.879 -27.794 1.00 0.00 O1- ATOM 0 H ASP A 29 -10.226 20.524 -23.162 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.063 18.163 -24.461 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.842 19.453 -25.630 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.913 20.929 -25.455 1.00 0.00 H new ATOM 358 N GLY A 30 -6.733 19.063 -24.225 1.00 0.00 N ATOM 359 CA GLY A 30 -5.432 19.615 -24.291 1.00 0.00 C ATOM 360 C GLY A 30 -4.410 18.804 -23.612 1.00 0.00 C ATOM 361 O GLY A 30 -4.655 18.207 -22.567 1.00 0.00 O ATOM 0 H GLY A 30 -6.783 18.051 -24.106 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.151 19.736 -25.337 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.447 20.611 -23.848 1.00 0.00 H new ATOM 365 N HIS A 31 -3.264 18.798 -24.191 1.00 0.00 N ATOM 366 CA HIS A 31 -2.142 18.082 -23.682 1.00 0.00 C ATOM 367 C HIS A 31 -1.311 19.005 -22.788 1.00 0.00 C ATOM 368 O HIS A 31 -0.361 18.575 -22.118 1.00 0.00 O ATOM 369 CB HIS A 31 -1.300 17.552 -24.863 1.00 0.00 C ATOM 370 CG HIS A 31 -0.160 16.696 -24.443 1.00 0.00 C ATOM 371 ND1 HIS A 31 1.119 16.799 -24.929 1.00 0.00 N ATOM 372 CD2 HIS A 31 -0.144 15.710 -23.549 1.00 0.00 C ATOM 373 CE1 HIS A 31 1.864 15.878 -24.323 1.00 0.00 C ATOM 374 NE2 HIS A 31 1.135 15.177 -23.462 1.00 0.00 N ATOM 0 H HIS A 31 -3.071 19.304 -25.056 1.00 0.00 H new ATOM 0 HA HIS A 31 -2.477 17.234 -23.084 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.945 16.982 -25.531 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -0.917 18.398 -25.434 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.997 15.375 -22.978 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.917 15.722 -24.506 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.448 14.411 -22.865 1.00 0.00 H new ATOM 382 N LEU A 32 -1.675 20.258 -22.754 1.00 0.00 N ATOM 383 CA LEU A 32 -0.929 21.189 -22.018 1.00 0.00 C ATOM 384 C LEU A 32 -1.803 21.768 -20.905 1.00 0.00 C ATOM 385 O LEU A 32 -2.780 22.472 -21.177 1.00 0.00 O ATOM 386 CB LEU A 32 -0.400 22.265 -22.951 1.00 0.00 C ATOM 387 CG LEU A 32 0.793 23.022 -22.434 1.00 0.00 C ATOM 388 CD1 LEU A 32 1.977 22.070 -22.259 1.00 0.00 C ATOM 389 CD2 LEU A 32 1.154 24.162 -23.359 1.00 0.00 C ATOM 0 H LEU A 32 -2.489 20.639 -23.236 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.070 20.708 -21.550 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.134 21.802 -23.902 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.202 22.975 -23.155 1.00 0.00 H new ATOM 0 HG LEU A 32 0.539 23.450 -21.464 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.837 22.624 -21.884 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.712 21.287 -21.548 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.226 21.619 -23.219 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.019 24.693 -22.962 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.392 23.768 -24.347 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.311 24.849 -23.436 1.00 0.00 H new ATOM 401 N PRO A 33 -1.452 21.488 -19.638 1.00 0.00 N ATOM 402 CA PRO A 33 -2.271 21.846 -18.464 1.00 0.00 C ATOM 403 C PRO A 33 -2.575 23.338 -18.300 1.00 0.00 C ATOM 404 O PRO A 33 -3.544 23.703 -17.645 1.00 0.00 O ATOM 405 CB PRO A 33 -1.480 21.318 -17.262 1.00 0.00 C ATOM 406 CG PRO A 33 -0.113 21.020 -17.768 1.00 0.00 C ATOM 407 CD PRO A 33 -0.224 20.775 -19.247 1.00 0.00 C ATOM 0 HA PRO A 33 -3.262 21.406 -18.573 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.447 22.057 -16.462 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.947 20.423 -16.850 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.561 21.853 -17.567 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.301 20.146 -17.264 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.646 21.157 -19.781 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.293 19.710 -19.471 1.00 0.00 H new ATOM 415 N ALA A 34 -1.770 24.193 -18.857 1.00 0.00 N ATOM 416 CA ALA A 34 -2.036 25.618 -18.742 1.00 0.00 C ATOM 417 C ALA A 34 -2.826 26.155 -19.935 1.00 0.00 C ATOM 418 O ALA A 34 -3.398 27.233 -19.867 1.00 0.00 O ATOM 419 CB ALA A 34 -0.743 26.397 -18.580 1.00 0.00 C ATOM 0 H ALA A 34 -0.935 23.947 -19.389 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.649 25.755 -17.851 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.967 27.460 -18.496 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.227 26.063 -17.680 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.105 26.228 -19.448 1.00 0.00 H new ATOM 425 N THR A 35 -2.896 25.388 -21.001 1.00 0.00 N ATOM 426 CA THR A 35 -3.473 25.887 -22.242 1.00 0.00 C ATOM 427 C THR A 35 -4.650 24.986 -22.729 1.00 0.00 C ATOM 428 O THR A 35 -5.120 25.099 -23.866 1.00 0.00 O ATOM 429 CB THR A 35 -2.333 25.931 -23.303 1.00 0.00 C ATOM 430 OG1 THR A 35 -1.161 26.493 -22.687 1.00 0.00 O ATOM 431 CG2 THR A 35 -2.691 26.808 -24.490 1.00 0.00 C ATOM 0 H THR A 35 -2.565 24.424 -21.040 1.00 0.00 H new ATOM 0 HA THR A 35 -3.890 26.882 -22.084 1.00 0.00 H new ATOM 0 HB THR A 35 -2.168 24.914 -23.658 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.552 26.821 -23.381 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.867 26.809 -25.204 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.588 26.419 -24.972 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.875 27.826 -24.148 1.00 0.00 H new ATOM 439 N ARG A 36 -5.151 24.133 -21.855 1.00 0.00 N ATOM 440 CA ARG A 36 -6.196 23.194 -22.242 1.00 0.00 C ATOM 441 C ARG A 36 -7.588 23.876 -22.277 1.00 0.00 C ATOM 442 O ARG A 36 -7.802 24.888 -21.603 1.00 0.00 O ATOM 443 CB ARG A 36 -6.167 21.947 -21.335 1.00 0.00 C ATOM 444 CG ARG A 36 -6.772 22.083 -19.933 1.00 0.00 C ATOM 445 CD ARG A 36 -6.171 23.184 -19.085 1.00 0.00 C ATOM 446 NE ARG A 36 -6.683 23.119 -17.721 1.00 0.00 N ATOM 447 CZ ARG A 36 -7.088 24.151 -16.965 1.00 0.00 C ATOM 448 NH1 ARG A 36 -7.048 25.388 -17.436 1.00 0.00 N1+ ATOM 449 NH2 ARG A 36 -7.539 23.934 -15.736 1.00 0.00 N ATOM 0 H ARG A 36 -4.857 24.068 -20.880 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.998 22.857 -23.259 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.690 21.142 -21.851 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.129 21.634 -21.225 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.843 22.263 -20.031 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.654 21.135 -19.409 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.085 23.092 -19.076 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.405 24.155 -19.521 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.739 22.193 -17.298 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.707 25.563 -18.381 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.358 26.166 -16.854 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.577 22.984 -15.367 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.847 24.717 -15.160 1.00 0.00 H new ATOM 463 N VAL A 37 -8.505 23.337 -23.065 1.00 0.00 N ATOM 464 CA VAL A 37 -9.835 23.929 -23.261 1.00 0.00 C ATOM 465 C VAL A 37 -10.888 23.191 -22.431 1.00 0.00 C ATOM 466 O VAL A 37 -10.928 21.979 -22.436 1.00 0.00 O ATOM 467 CB VAL A 37 -10.242 23.866 -24.766 1.00 0.00 C ATOM 468 CG1 VAL A 37 -11.606 24.510 -25.009 1.00 0.00 C ATOM 469 CG2 VAL A 37 -9.185 24.521 -25.640 1.00 0.00 C ATOM 0 H VAL A 37 -8.356 22.476 -23.591 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.786 24.968 -22.937 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.317 22.813 -25.038 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.855 24.447 -26.068 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.364 23.987 -24.426 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.573 25.557 -24.706 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.491 24.465 -26.685 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.070 25.566 -25.351 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.235 24.003 -25.512 1.00 0.00 H new ATOM 479 N LEU A 38 -11.720 23.936 -21.729 1.00 0.00 N ATOM 480 CA LEU A 38 -12.811 23.385 -20.906 1.00 0.00 C ATOM 481 C LEU A 38 -13.839 22.687 -21.810 1.00 0.00 C ATOM 482 O LEU A 38 -14.373 23.313 -22.740 1.00 0.00 O ATOM 483 CB LEU A 38 -13.452 24.566 -20.090 1.00 0.00 C ATOM 484 CG LEU A 38 -14.673 24.314 -19.152 1.00 0.00 C ATOM 485 CD1 LEU A 38 -15.982 24.110 -19.911 1.00 0.00 C ATOM 486 CD2 LEU A 38 -14.413 23.148 -18.243 1.00 0.00 C ATOM 0 H LEU A 38 -11.668 24.954 -21.705 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.436 22.638 -20.207 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.661 25.000 -19.478 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.752 25.328 -20.810 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.792 25.219 -18.556 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.791 23.940 -19.201 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.201 24.998 -20.504 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.890 23.247 -20.570 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.277 22.990 -17.598 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.238 22.253 -18.840 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.535 23.353 -17.630 1.00 0.00 H new ATOM 498 N LEU A 39 -14.106 21.403 -21.562 1.00 0.00 N ATOM 499 CA LEU A 39 -15.077 20.692 -22.367 1.00 0.00 C ATOM 500 C LEU A 39 -16.403 20.497 -21.644 1.00 0.00 C ATOM 501 O LEU A 39 -17.409 21.075 -22.051 1.00 0.00 O ATOM 502 CB LEU A 39 -14.539 19.330 -22.817 1.00 0.00 C ATOM 503 CG LEU A 39 -13.338 19.342 -23.757 1.00 0.00 C ATOM 504 CD1 LEU A 39 -12.896 17.919 -24.043 1.00 0.00 C ATOM 505 CD2 LEU A 39 -13.679 20.068 -25.056 1.00 0.00 C ATOM 0 H LEU A 39 -13.669 20.851 -20.824 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.256 21.317 -23.242 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.269 18.761 -21.928 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.349 18.790 -23.307 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.519 19.877 -23.276 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.038 17.933 -24.715 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.618 17.430 -23.109 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.714 17.371 -24.510 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.809 20.066 -25.713 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.508 19.561 -25.549 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.963 21.097 -24.834 1.00 0.00 H new ATOM 517 N MET A 40 -16.404 19.745 -20.538 1.00 0.00 N ATOM 518 CA MET A 40 -17.656 19.392 -19.857 1.00 0.00 C ATOM 519 C MET A 40 -17.404 18.734 -18.527 1.00 0.00 C ATOM 520 O MET A 40 -16.281 18.310 -18.228 1.00 0.00 O ATOM 521 CB MET A 40 -18.561 18.502 -20.745 1.00 0.00 C ATOM 522 CG MET A 40 -17.933 17.208 -21.189 1.00 0.00 C ATOM 523 SD MET A 40 -19.052 16.171 -22.166 1.00 0.00 S ATOM 524 CE MET A 40 -19.398 17.235 -23.571 1.00 0.00 C ATOM 0 H MET A 40 -15.562 19.372 -20.099 1.00 0.00 H new ATOM 0 HA MET A 40 -18.184 20.327 -19.671 1.00 0.00 H new ATOM 0 HB2 MET A 40 -19.475 18.276 -20.196 1.00 0.00 H new ATOM 0 HB3 MET A 40 -18.851 19.071 -21.628 1.00 0.00 H new ATOM 0 HG2 MET A 40 -17.043 17.427 -21.779 1.00 0.00 H new ATOM 0 HG3 MET A 40 -17.605 16.651 -20.312 1.00 0.00 H new ATOM 0 HE1 MET A 40 -19.830 16.643 -24.378 1.00 0.00 H new ATOM 0 HE2 MET A 40 -20.102 18.012 -23.274 1.00 0.00 H new ATOM 0 HE3 MET A 40 -18.472 17.696 -23.915 1.00 0.00 H new ATOM 534 N TYR A 41 -18.443 18.678 -17.738 1.00 0.00 N ATOM 535 CA TYR A 41 -18.418 18.118 -16.404 1.00 0.00 C ATOM 536 C TYR A 41 -19.124 16.772 -16.434 1.00 0.00 C ATOM 537 O TYR A 41 -20.182 16.652 -17.035 1.00 0.00 O ATOM 538 CB TYR A 41 -19.164 19.061 -15.443 1.00 0.00 C ATOM 539 CG TYR A 41 -18.641 20.490 -15.424 1.00 0.00 C ATOM 540 CD1 TYR A 41 -19.064 21.416 -16.373 1.00 0.00 C ATOM 541 CD2 TYR A 41 -17.726 20.909 -14.470 1.00 0.00 C ATOM 542 CE1 TYR A 41 -18.594 22.711 -16.374 1.00 0.00 C ATOM 543 CE2 TYR A 41 -17.247 22.210 -14.463 1.00 0.00 C ATOM 544 CZ TYR A 41 -17.686 23.105 -15.420 1.00 0.00 C ATOM 545 OH TYR A 41 -17.211 24.400 -15.424 1.00 0.00 O ATOM 0 H TYR A 41 -19.361 19.030 -18.010 1.00 0.00 H new ATOM 0 HA TYR A 41 -17.389 17.996 -16.066 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -20.219 19.078 -15.717 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -19.103 18.652 -14.434 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -19.777 21.113 -17.126 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -17.381 20.211 -13.721 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -18.937 23.413 -17.120 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -16.535 22.522 -13.714 1.00 0.00 H new ATOM 0 HH TYR A 41 -16.578 24.519 -14.685 1.00 0.00 H new ATOM 555 N VAL A 42 -18.538 15.770 -15.825 1.00 0.00 N ATOM 556 CA VAL A 42 -19.126 14.426 -15.809 1.00 0.00 C ATOM 557 C VAL A 42 -19.192 13.898 -14.388 1.00 0.00 C ATOM 558 O VAL A 42 -18.254 14.069 -13.621 1.00 0.00 O ATOM 559 CB VAL A 42 -18.309 13.433 -16.691 1.00 0.00 C ATOM 560 CG1 VAL A 42 -18.865 12.011 -16.621 1.00 0.00 C ATOM 561 CG2 VAL A 42 -18.258 13.907 -18.132 1.00 0.00 C ATOM 0 H VAL A 42 -17.650 15.847 -15.328 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.132 14.504 -16.220 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.296 13.411 -16.290 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -18.265 11.354 -17.251 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -18.830 11.657 -15.591 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -19.897 12.006 -16.972 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.683 13.198 -18.728 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -19.271 13.976 -18.528 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.783 14.887 -18.176 1.00 0.00 H new ATOM 571 N ARG A 43 -20.298 13.273 -14.053 1.00 0.00 N ATOM 572 CA ARG A 43 -20.523 12.696 -12.748 1.00 0.00 C ATOM 573 C ARG A 43 -19.701 11.419 -12.571 1.00 0.00 C ATOM 574 O ARG A 43 -19.762 10.489 -13.409 1.00 0.00 O ATOM 575 CB ARG A 43 -22.013 12.367 -12.590 1.00 0.00 C ATOM 576 CG ARG A 43 -22.400 11.752 -11.253 1.00 0.00 C ATOM 577 CD ARG A 43 -22.197 12.732 -10.119 1.00 0.00 C ATOM 578 NE ARG A 43 -22.575 12.160 -8.833 1.00 0.00 N ATOM 579 CZ ARG A 43 -23.618 12.547 -8.106 1.00 0.00 C ATOM 580 NH1 ARG A 43 -24.489 13.432 -8.596 1.00 0.00 N1+ ATOM 581 NH2 ARG A 43 -23.827 12.005 -6.916 1.00 0.00 N ATOM 0 H ARG A 43 -21.082 13.149 -14.694 1.00 0.00 H new ATOM 0 HA ARG A 43 -20.215 13.416 -11.990 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -22.588 13.282 -12.732 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -22.304 11.681 -13.386 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -23.443 11.438 -11.283 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -21.803 10.858 -11.075 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -21.152 13.039 -10.087 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -22.787 13.630 -10.305 1.00 0.00 H new ATOM 0 HE ARG A 43 -21.996 11.406 -8.463 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -24.356 13.814 -9.532 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -25.288 13.726 -8.034 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -23.189 11.293 -6.561 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -24.626 12.299 -6.355 1.00 0.00 H new ATOM 595 N ILE A 44 -18.952 11.372 -11.507 1.00 0.00 N ATOM 596 CA ILE A 44 -18.179 10.195 -11.164 1.00 0.00 C ATOM 597 C ILE A 44 -19.139 9.053 -10.878 1.00 0.00 C ATOM 598 O ILE A 44 -20.061 9.197 -10.070 1.00 0.00 O ATOM 599 CB ILE A 44 -17.267 10.453 -9.937 1.00 0.00 C ATOM 600 CG1 ILE A 44 -16.288 11.586 -10.255 1.00 0.00 C ATOM 601 CG2 ILE A 44 -16.505 9.178 -9.544 1.00 0.00 C ATOM 602 CD1 ILE A 44 -15.437 12.003 -9.085 1.00 0.00 C ATOM 0 H ILE A 44 -18.854 12.144 -10.848 1.00 0.00 H new ATOM 0 HA ILE A 44 -17.529 9.940 -12.001 1.00 0.00 H new ATOM 0 HB ILE A 44 -17.890 10.744 -9.091 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -15.637 11.272 -11.071 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -16.850 12.450 -10.609 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -15.872 9.384 -8.681 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -17.217 8.392 -9.293 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -15.885 8.853 -10.379 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.770 12.809 -9.389 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -16.078 12.349 -8.274 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.846 11.153 -8.743 1.00 0.00 H new ATOM 614 N GLY A 45 -18.955 7.962 -11.572 1.00 0.00 N ATOM 615 CA GLY A 45 -19.833 6.846 -11.438 1.00 0.00 C ATOM 616 C GLY A 45 -20.655 6.652 -12.687 1.00 0.00 C ATOM 617 O GLY A 45 -21.221 5.576 -12.911 1.00 0.00 O ATOM 0 H GLY A 45 -18.196 7.828 -12.240 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -19.254 5.945 -11.236 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -20.493 6.998 -10.584 1.00 0.00 H new ATOM 621 N THR A 46 -20.725 7.672 -13.521 1.00 0.00 N ATOM 622 CA THR A 46 -21.508 7.572 -14.719 1.00 0.00 C ATOM 623 C THR A 46 -20.631 7.524 -15.945 1.00 0.00 C ATOM 624 O THR A 46 -19.425 7.843 -15.898 1.00 0.00 O ATOM 625 CB THR A 46 -22.539 8.737 -14.860 1.00 0.00 C ATOM 626 OG1 THR A 46 -21.874 10.011 -14.923 1.00 0.00 O ATOM 627 CG2 THR A 46 -23.518 8.741 -13.700 1.00 0.00 C ATOM 0 H THR A 46 -20.252 8.566 -13.386 1.00 0.00 H new ATOM 0 HA THR A 46 -22.065 6.638 -14.638 1.00 0.00 H new ATOM 0 HB THR A 46 -23.086 8.574 -15.789 1.00 0.00 H new ATOM 0 HG1 THR A 46 -20.971 9.927 -14.552 1.00 0.00 H new ATOM 0 HG21 THR A 46 -24.225 9.562 -13.823 1.00 0.00 H new ATOM 0 HG22 THR A 46 -24.060 7.796 -13.678 1.00 0.00 H new ATOM 0 HG23 THR A 46 -22.973 8.868 -12.765 1.00 0.00 H new ATOM 635 N THR A 47 -21.220 7.110 -17.007 1.00 0.00 N ATOM 636 CA THR A 47 -20.605 7.129 -18.281 1.00 0.00 C ATOM 637 C THR A 47 -21.094 8.338 -19.009 1.00 0.00 C ATOM 638 O THR A 47 -22.207 8.801 -18.760 1.00 0.00 O ATOM 639 CB THR A 47 -20.959 5.891 -19.094 1.00 0.00 C ATOM 640 OG1 THR A 47 -22.373 5.583 -18.934 1.00 0.00 O ATOM 641 CG2 THR A 47 -20.128 4.702 -18.688 1.00 0.00 C ATOM 0 H THR A 47 -22.170 6.738 -17.013 1.00 0.00 H new ATOM 0 HA THR A 47 -19.523 7.147 -18.150 1.00 0.00 H new ATOM 0 HB THR A 47 -20.745 6.106 -20.141 1.00 0.00 H new ATOM 0 HG1 THR A 47 -22.596 4.787 -19.460 1.00 0.00 H new ATOM 0 HG21 THR A 47 -20.410 3.838 -19.290 1.00 0.00 H new ATOM 0 HG22 THR A 47 -19.073 4.925 -18.845 1.00 0.00 H new ATOM 0 HG23 THR A 47 -20.299 4.481 -17.635 1.00 0.00 H new ATOM 649 N ALA A 48 -20.303 8.839 -19.878 1.00 0.00 N ATOM 650 CA ALA A 48 -20.661 10.036 -20.612 1.00 0.00 C ATOM 651 C ALA A 48 -20.005 10.056 -21.953 1.00 0.00 C ATOM 652 O ALA A 48 -18.977 9.416 -22.162 1.00 0.00 O ATOM 653 CB ALA A 48 -20.289 11.285 -19.833 1.00 0.00 C ATOM 0 H ALA A 48 -19.390 8.450 -20.115 1.00 0.00 H new ATOM 0 HA ALA A 48 -21.742 10.024 -20.753 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.569 12.169 -20.407 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -20.817 11.290 -18.879 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.214 11.295 -19.653 1.00 0.00 H new ATOM 659 N THR A 49 -20.598 10.766 -22.846 1.00 0.00 N ATOM 660 CA THR A 49 -20.092 10.909 -24.158 1.00 0.00 C ATOM 661 C THR A 49 -19.488 12.308 -24.290 1.00 0.00 C ATOM 662 O THR A 49 -20.206 13.314 -24.256 1.00 0.00 O ATOM 663 CB THR A 49 -21.231 10.728 -25.181 1.00 0.00 C ATOM 664 OG1 THR A 49 -22.004 9.554 -24.824 1.00 0.00 O ATOM 665 CG2 THR A 49 -20.667 10.549 -26.589 1.00 0.00 C ATOM 0 H THR A 49 -21.467 11.273 -22.678 1.00 0.00 H new ATOM 0 HA THR A 49 -19.330 10.154 -24.352 1.00 0.00 H new ATOM 0 HB THR A 49 -21.862 11.616 -25.168 1.00 0.00 H new ATOM 0 HG1 THR A 49 -22.732 9.433 -25.469 1.00 0.00 H new ATOM 0 HG21 THR A 49 -21.487 10.423 -27.296 1.00 0.00 H new ATOM 0 HG22 THR A 49 -20.084 11.429 -26.862 1.00 0.00 H new ATOM 0 HG23 THR A 49 -20.027 9.667 -26.615 1.00 0.00 H new ATOM 673 N ILE A 50 -18.190 12.364 -24.394 1.00 0.00 N ATOM 674 CA ILE A 50 -17.475 13.609 -24.545 1.00 0.00 C ATOM 675 C ILE A 50 -17.295 13.802 -26.027 1.00 0.00 C ATOM 676 O ILE A 50 -17.184 12.837 -26.761 1.00 0.00 O ATOM 677 CB ILE A 50 -16.048 13.520 -23.929 1.00 0.00 C ATOM 678 CG1 ILE A 50 -16.060 12.868 -22.541 1.00 0.00 C ATOM 679 CG2 ILE A 50 -15.383 14.902 -23.868 1.00 0.00 C ATOM 680 CD1 ILE A 50 -16.828 13.619 -21.482 1.00 0.00 C ATOM 0 H ILE A 50 -17.588 11.540 -24.377 1.00 0.00 H new ATOM 0 HA ILE A 50 -18.024 14.412 -24.054 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.459 12.882 -24.588 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -16.482 11.867 -22.632 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -15.030 12.750 -22.204 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -14.388 14.808 -23.433 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -15.302 15.312 -24.875 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.986 15.569 -23.252 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.775 13.075 -20.539 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -16.395 14.611 -21.353 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -17.870 13.715 -21.787 1.00 0.00 H new ATOM 692 N THR A 51 -17.315 14.990 -26.464 1.00 0.00 N ATOM 693 CA THR A 51 -17.116 15.269 -27.848 1.00 0.00 C ATOM 694 C THR A 51 -16.068 16.353 -27.986 1.00 0.00 C ATOM 695 O THR A 51 -16.256 17.474 -27.518 1.00 0.00 O ATOM 696 CB THR A 51 -18.442 15.672 -28.518 1.00 0.00 C ATOM 697 OG1 THR A 51 -19.409 14.627 -28.268 1.00 0.00 O ATOM 698 CG2 THR A 51 -18.261 15.839 -30.021 1.00 0.00 C ATOM 0 H THR A 51 -17.470 15.813 -25.882 1.00 0.00 H new ATOM 0 HA THR A 51 -16.762 14.373 -28.357 1.00 0.00 H new ATOM 0 HB THR A 51 -18.780 16.623 -28.107 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.263 14.865 -28.686 1.00 0.00 H new ATOM 0 HG21 THR A 51 -19.211 16.124 -30.472 1.00 0.00 H new ATOM 0 HG22 THR A 51 -17.520 16.615 -30.214 1.00 0.00 H new ATOM 0 HG23 THR A 51 -17.922 14.898 -30.453 1.00 0.00 H new ATOM 706 N ALA A 52 -14.944 15.982 -28.546 1.00 0.00 N ATOM 707 CA ALA A 52 -13.853 16.891 -28.747 1.00 0.00 C ATOM 708 C ALA A 52 -13.128 16.516 -30.006 1.00 0.00 C ATOM 709 O ALA A 52 -12.899 15.326 -30.265 1.00 0.00 O ATOM 710 CB ALA A 52 -12.897 16.869 -27.563 1.00 0.00 C ATOM 0 H ALA A 52 -14.763 15.034 -28.876 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.248 17.903 -28.836 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.080 17.567 -27.742 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.431 17.160 -26.659 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.495 15.864 -27.439 1.00 0.00 H new ATOM 716 N ARG A 53 -12.839 17.519 -30.820 1.00 0.00 N ATOM 717 CA ARG A 53 -12.093 17.384 -32.078 1.00 0.00 C ATOM 718 C ARG A 53 -12.819 16.517 -33.074 1.00 0.00 C ATOM 719 O ARG A 53 -12.217 15.953 -33.990 1.00 0.00 O ATOM 720 CB ARG A 53 -10.704 16.852 -31.815 1.00 0.00 C ATOM 721 CG ARG A 53 -9.933 17.749 -30.920 1.00 0.00 C ATOM 722 CD ARG A 53 -8.595 17.217 -30.640 1.00 0.00 C ATOM 723 NE ARG A 53 -7.909 18.078 -29.701 1.00 0.00 N ATOM 724 CZ ARG A 53 -6.669 18.505 -29.830 1.00 0.00 C ATOM 725 NH1 ARG A 53 -5.885 18.024 -30.795 1.00 0.00 N1+ ATOM 726 NH2 ARG A 53 -6.208 19.399 -28.983 1.00 0.00 N ATOM 0 H ARG A 53 -13.121 18.480 -30.625 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.010 18.378 -32.518 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.773 15.861 -31.366 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.173 16.737 -32.760 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.844 18.733 -31.380 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.475 17.882 -29.984 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.673 16.209 -30.232 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.023 17.144 -31.565 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.426 18.378 -28.874 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.244 17.320 -31.440 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.926 18.360 -30.888 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.808 19.753 -28.238 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.250 19.738 -29.071 1.00 0.00 H new ATOM 740 N GLY A 54 -14.110 16.472 -32.931 1.00 0.00 N ATOM 741 CA GLY A 54 -14.932 15.678 -33.795 1.00 0.00 C ATOM 742 C GLY A 54 -15.092 14.247 -33.310 1.00 0.00 C ATOM 743 O GLY A 54 -15.862 13.480 -33.888 1.00 0.00 O ATOM 0 H GLY A 54 -14.623 16.984 -32.213 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -15.916 16.140 -33.878 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.498 15.671 -34.795 1.00 0.00 H new ATOM 747 N HIS A 55 -14.412 13.895 -32.236 1.00 0.00 N ATOM 748 CA HIS A 55 -14.439 12.538 -31.727 1.00 0.00 C ATOM 749 C HIS A 55 -15.387 12.465 -30.555 1.00 0.00 C ATOM 750 O HIS A 55 -15.384 13.352 -29.691 1.00 0.00 O ATOM 751 CB HIS A 55 -13.043 12.082 -31.245 1.00 0.00 C ATOM 752 CG HIS A 55 -11.924 12.144 -32.254 1.00 0.00 C ATOM 753 ND1 HIS A 55 -11.429 11.051 -32.933 1.00 0.00 N ATOM 754 CD2 HIS A 55 -11.163 13.192 -32.643 1.00 0.00 C ATOM 755 CE1 HIS A 55 -10.407 11.456 -33.688 1.00 0.00 C ATOM 756 NE2 HIS A 55 -10.201 12.756 -33.549 1.00 0.00 N ATOM 0 H HIS A 55 -13.830 14.535 -31.696 1.00 0.00 H new ATOM 0 HA HIS A 55 -14.762 11.886 -32.538 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.762 12.694 -30.388 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -13.124 11.055 -30.890 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -11.283 14.210 -32.303 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.825 10.809 -34.328 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.487 13.320 -34.009 1.00 0.00 H new ATOM 764 N GLU A 56 -16.203 11.451 -30.528 1.00 0.00 N ATOM 765 CA GLU A 56 -17.091 11.228 -29.429 1.00 0.00 C ATOM 766 C GLU A 56 -16.537 10.087 -28.589 1.00 0.00 C ATOM 767 O GLU A 56 -16.466 8.941 -29.041 1.00 0.00 O ATOM 768 CB GLU A 56 -18.501 10.907 -29.929 1.00 0.00 C ATOM 769 CG GLU A 56 -19.138 12.034 -30.731 1.00 0.00 C ATOM 770 CD GLU A 56 -20.545 11.723 -31.175 1.00 0.00 C ATOM 771 OE1 GLU A 56 -20.725 11.111 -32.254 1.00 0.00 O ATOM 772 OE2 GLU A 56 -21.506 12.105 -30.472 1.00 0.00 O1- ATOM 0 H GLU A 56 -16.270 10.755 -31.271 1.00 0.00 H new ATOM 0 HA GLU A 56 -17.162 12.129 -28.820 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -18.462 10.010 -30.547 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -19.137 10.677 -29.074 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -19.146 12.942 -30.127 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.524 12.240 -31.608 1.00 0.00 H new ATOM 779 N PHE A 57 -16.136 10.408 -27.393 1.00 0.00 N ATOM 780 CA PHE A 57 -15.513 9.474 -26.494 1.00 0.00 C ATOM 781 C PHE A 57 -16.508 9.043 -25.458 1.00 0.00 C ATOM 782 O PHE A 57 -17.049 9.888 -24.745 1.00 0.00 O ATOM 783 CB PHE A 57 -14.356 10.152 -25.752 1.00 0.00 C ATOM 784 CG PHE A 57 -13.342 10.823 -26.624 1.00 0.00 C ATOM 785 CD1 PHE A 57 -12.301 10.106 -27.175 1.00 0.00 C ATOM 786 CD2 PHE A 57 -13.429 12.181 -26.881 1.00 0.00 C ATOM 787 CE1 PHE A 57 -11.367 10.729 -27.969 1.00 0.00 C ATOM 788 CE2 PHE A 57 -12.497 12.804 -27.673 1.00 0.00 C ATOM 789 CZ PHE A 57 -11.465 12.076 -28.215 1.00 0.00 C ATOM 0 H PHE A 57 -16.234 11.346 -27.005 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.152 8.625 -27.074 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.770 10.893 -25.068 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.849 9.404 -25.143 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.219 9.047 -26.981 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -14.238 12.755 -26.454 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.557 10.159 -28.399 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -12.574 13.863 -27.870 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.729 12.565 -28.836 1.00 0.00 H new ATOM 799 N GLU A 58 -16.779 7.774 -25.368 1.00 0.00 N ATOM 800 CA GLU A 58 -17.618 7.322 -24.300 1.00 0.00 C ATOM 801 C GLU A 58 -16.717 6.959 -23.134 1.00 0.00 C ATOM 802 O GLU A 58 -15.964 5.972 -23.173 1.00 0.00 O ATOM 803 CB GLU A 58 -18.516 6.162 -24.710 1.00 0.00 C ATOM 804 CG GLU A 58 -19.510 5.778 -23.646 1.00 0.00 C ATOM 805 CD GLU A 58 -20.417 4.663 -24.070 1.00 0.00 C ATOM 806 OE1 GLU A 58 -20.060 3.483 -23.871 1.00 0.00 O ATOM 807 OE2 GLU A 58 -21.487 4.944 -24.621 1.00 0.00 O1- ATOM 0 H GLU A 58 -16.441 7.051 -26.003 1.00 0.00 H new ATOM 0 HA GLU A 58 -18.304 8.119 -24.013 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -19.053 6.430 -25.620 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -17.896 5.298 -24.948 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -18.973 5.480 -22.745 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -20.111 6.649 -23.386 1.00 0.00 H new ATOM 814 N VAL A 59 -16.765 7.778 -22.135 1.00 0.00 N ATOM 815 CA VAL A 59 -15.919 7.655 -20.994 1.00 0.00 C ATOM 816 C VAL A 59 -16.710 7.059 -19.858 1.00 0.00 C ATOM 817 O VAL A 59 -17.946 7.160 -19.825 1.00 0.00 O ATOM 818 CB VAL A 59 -15.373 9.058 -20.534 1.00 0.00 C ATOM 819 CG1 VAL A 59 -14.673 9.789 -21.663 1.00 0.00 C ATOM 820 CG2 VAL A 59 -16.469 9.946 -19.936 1.00 0.00 C ATOM 0 H VAL A 59 -17.408 8.569 -22.089 1.00 0.00 H new ATOM 0 HA VAL A 59 -15.076 7.019 -21.263 1.00 0.00 H new ATOM 0 HB VAL A 59 -14.645 8.851 -19.750 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -14.311 10.752 -21.304 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.831 9.193 -22.015 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -15.373 9.947 -22.483 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -16.039 10.901 -19.635 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -17.246 10.116 -20.681 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -16.902 9.453 -19.066 1.00 0.00 H new ATOM 830 N GLU A 60 -16.029 6.436 -18.974 1.00 0.00 N ATOM 831 CA GLU A 60 -16.616 5.949 -17.772 1.00 0.00 C ATOM 832 C GLU A 60 -15.846 6.563 -16.615 1.00 0.00 C ATOM 833 O GLU A 60 -14.654 6.287 -16.427 1.00 0.00 O ATOM 834 CB GLU A 60 -16.596 4.408 -17.732 1.00 0.00 C ATOM 835 CG GLU A 60 -17.329 3.796 -16.544 1.00 0.00 C ATOM 836 CD GLU A 60 -17.464 2.289 -16.647 1.00 0.00 C ATOM 837 OE1 GLU A 60 -18.422 1.805 -17.273 1.00 0.00 O ATOM 838 OE2 GLU A 60 -16.625 1.547 -16.095 1.00 0.00 O1- ATOM 0 H GLU A 60 -15.031 6.243 -19.060 1.00 0.00 H new ATOM 0 HA GLU A 60 -17.666 6.234 -17.708 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.040 4.028 -18.652 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.559 4.071 -17.716 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.796 4.046 -15.627 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.321 4.240 -16.468 1.00 0.00 H new ATOM 845 N ALA A 61 -16.496 7.445 -15.886 1.00 0.00 N ATOM 846 CA ALA A 61 -15.844 8.104 -14.762 1.00 0.00 C ATOM 847 C ALA A 61 -15.768 7.132 -13.596 1.00 0.00 C ATOM 848 O ALA A 61 -16.781 6.816 -12.970 1.00 0.00 O ATOM 849 CB ALA A 61 -16.584 9.379 -14.380 1.00 0.00 C ATOM 0 H ALA A 61 -17.464 7.724 -16.044 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.832 8.396 -15.044 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -16.080 9.854 -13.539 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.595 10.062 -15.230 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -17.608 9.135 -14.098 1.00 0.00 H new ATOM 855 N LYS A 62 -14.573 6.640 -13.341 1.00 0.00 N ATOM 856 CA LYS A 62 -14.368 5.567 -12.381 1.00 0.00 C ATOM 857 C LYS A 62 -14.039 6.044 -10.992 1.00 0.00 C ATOM 858 O LYS A 62 -14.749 5.745 -10.036 1.00 0.00 O ATOM 859 CB LYS A 62 -13.225 4.677 -12.871 1.00 0.00 C ATOM 860 CG LYS A 62 -13.462 4.016 -14.218 1.00 0.00 C ATOM 861 CD LYS A 62 -14.175 2.662 -14.119 1.00 0.00 C ATOM 862 CE LYS A 62 -15.511 2.722 -13.386 1.00 0.00 C ATOM 863 NZ LYS A 62 -16.213 1.440 -13.457 1.00 0.00 N1+ ATOM 0 H LYS A 62 -13.718 6.969 -13.789 1.00 0.00 H new ATOM 0 HA LYS A 62 -15.312 5.026 -12.315 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.317 5.277 -12.932 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.045 3.900 -12.128 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.054 4.685 -14.842 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.504 3.877 -14.719 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.340 2.274 -15.124 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.522 1.955 -13.608 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.344 2.991 -12.343 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.133 3.504 -13.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.160 1.539 -13.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.302 1.148 -14.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -15.676 0.721 -12.931 1.00 0.00 H new ATOM 877 N ASP A 63 -12.989 6.794 -10.871 1.00 0.00 N ATOM 878 CA ASP A 63 -12.504 7.134 -9.567 1.00 0.00 C ATOM 879 C ASP A 63 -12.489 8.635 -9.366 1.00 0.00 C ATOM 880 O ASP A 63 -12.502 9.391 -10.332 1.00 0.00 O ATOM 881 CB ASP A 63 -11.111 6.522 -9.371 1.00 0.00 C ATOM 882 CG ASP A 63 -10.565 6.751 -7.996 1.00 0.00 C ATOM 883 OD1 ASP A 63 -10.929 6.015 -7.061 1.00 0.00 O ATOM 884 OD2 ASP A 63 -9.814 7.698 -7.822 1.00 0.00 O1- ATOM 0 H ASP A 63 -12.455 7.180 -11.649 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.176 6.723 -8.813 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.160 5.450 -9.564 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.426 6.947 -10.104 1.00 0.00 H new ATOM 889 N GLN A 64 -12.416 9.052 -8.117 1.00 0.00 N ATOM 890 CA GLN A 64 -12.441 10.453 -7.726 1.00 0.00 C ATOM 891 C GLN A 64 -11.084 11.142 -7.903 1.00 0.00 C ATOM 892 O GLN A 64 -10.898 12.303 -7.531 1.00 0.00 O ATOM 893 CB GLN A 64 -13.015 10.597 -6.323 1.00 0.00 C ATOM 894 CG GLN A 64 -12.307 9.767 -5.253 1.00 0.00 C ATOM 895 CD GLN A 64 -13.107 9.654 -3.962 1.00 0.00 C ATOM 896 OE1 GLN A 64 -12.562 9.557 -2.878 1.00 0.00 O ATOM 897 NE2 GLN A 64 -14.403 9.610 -4.062 1.00 0.00 N ATOM 0 H GLN A 64 -12.336 8.413 -7.326 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.107 10.983 -8.406 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -12.974 11.647 -6.035 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -14.067 10.314 -6.345 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.115 8.768 -5.644 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.338 10.216 -5.035 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -14.847 9.693 -4.977 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -14.975 9.493 -3.226 1.00 0.00 H new ATOM 906 N ASN A 65 -10.145 10.412 -8.467 1.00 0.00 N ATOM 907 CA ASN A 65 -8.884 10.984 -8.929 1.00 0.00 C ATOM 908 C ASN A 65 -9.050 11.340 -10.397 1.00 0.00 C ATOM 909 O ASN A 65 -8.110 11.771 -11.075 1.00 0.00 O ATOM 910 CB ASN A 65 -7.709 10.000 -8.750 1.00 0.00 C ATOM 911 CG ASN A 65 -7.257 9.844 -7.302 1.00 0.00 C ATOM 912 OD1 ASN A 65 -6.369 10.553 -6.837 1.00 0.00 O ATOM 913 ND2 ASN A 65 -7.847 8.937 -6.592 1.00 0.00 N ATOM 0 H ASN A 65 -10.227 9.407 -8.621 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.649 11.868 -8.336 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.001 9.024 -9.137 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.866 10.342 -9.350 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.577 8.796 -5.618 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -8.582 8.363 -7.006 1.00 0.00 H new ATOM 920 N CYS A 66 -10.283 11.123 -10.878 1.00 0.00 N ATOM 921 CA CYS A 66 -10.702 11.394 -12.240 1.00 0.00 C ATOM 922 C CYS A 66 -10.002 10.515 -13.229 1.00 0.00 C ATOM 923 O CYS A 66 -9.760 10.893 -14.378 1.00 0.00 O ATOM 924 CB CYS A 66 -10.606 12.872 -12.576 1.00 0.00 C ATOM 925 SG CYS A 66 -11.783 13.865 -11.620 1.00 0.00 S ATOM 0 H CYS A 66 -11.033 10.741 -10.302 1.00 0.00 H new ATOM 0 HA CYS A 66 -11.759 11.137 -12.314 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -9.593 13.223 -12.380 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -10.792 13.014 -13.640 1.00 0.00 H new ATOM 930 N LYS A 67 -9.684 9.323 -12.767 1.00 0.00 N ATOM 931 CA LYS A 67 -9.144 8.309 -13.572 1.00 0.00 C ATOM 932 C LYS A 67 -10.224 7.862 -14.546 1.00 0.00 C ATOM 933 O LYS A 67 -11.196 7.194 -14.156 1.00 0.00 O ATOM 934 CB LYS A 67 -8.699 7.146 -12.682 1.00 0.00 C ATOM 935 CG LYS A 67 -7.742 6.146 -13.307 1.00 0.00 C ATOM 936 CD LYS A 67 -6.541 6.870 -13.841 1.00 0.00 C ATOM 937 CE LYS A 67 -6.705 7.147 -15.326 1.00 0.00 C ATOM 938 NZ LYS A 67 -5.681 8.065 -15.861 1.00 0.00 N1+ ATOM 0 H LYS A 67 -9.807 9.051 -11.792 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.277 8.666 -14.128 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.227 7.559 -11.790 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.588 6.608 -12.352 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.435 5.408 -12.566 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.240 5.603 -14.111 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.405 7.808 -13.303 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.644 6.273 -13.673 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.660 6.205 -15.872 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.693 7.572 -15.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.846 8.215 -16.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.738 8.976 -15.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.737 7.652 -15.721 1.00 0.00 H new ATOM 952 N VAL A 68 -10.095 8.293 -15.766 1.00 0.00 N ATOM 953 CA VAL A 68 -11.055 7.982 -16.765 1.00 0.00 C ATOM 954 C VAL A 68 -10.622 6.795 -17.606 1.00 0.00 C ATOM 955 O VAL A 68 -9.509 6.750 -18.141 1.00 0.00 O ATOM 956 CB VAL A 68 -11.413 9.216 -17.661 1.00 0.00 C ATOM 957 CG1 VAL A 68 -10.184 9.856 -18.284 1.00 0.00 C ATOM 958 CG2 VAL A 68 -12.411 8.822 -18.737 1.00 0.00 C ATOM 0 H VAL A 68 -9.318 8.870 -16.090 1.00 0.00 H new ATOM 0 HA VAL A 68 -11.968 7.702 -16.239 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.867 9.963 -17.009 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.487 10.706 -18.895 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.512 10.196 -17.496 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.670 9.125 -18.908 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -12.648 9.692 -19.350 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.980 8.042 -19.365 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -13.322 8.449 -18.269 1.00 0.00 H new ATOM 968 N ILE A 69 -11.470 5.820 -17.643 1.00 0.00 N ATOM 969 CA ILE A 69 -11.312 4.683 -18.485 1.00 0.00 C ATOM 970 C ILE A 69 -12.503 4.701 -19.402 1.00 0.00 C ATOM 971 O ILE A 69 -13.615 4.950 -18.954 1.00 0.00 O ATOM 972 CB ILE A 69 -11.229 3.314 -17.693 1.00 0.00 C ATOM 973 CG1 ILE A 69 -9.899 3.179 -16.921 1.00 0.00 C ATOM 974 CG2 ILE A 69 -11.405 2.109 -18.616 1.00 0.00 C ATOM 975 CD1 ILE A 69 -9.774 4.004 -15.658 1.00 0.00 C ATOM 0 H ILE A 69 -12.315 5.793 -17.072 1.00 0.00 H new ATOM 0 HA ILE A 69 -10.365 4.743 -19.021 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.051 3.328 -16.977 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.759 2.130 -16.660 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -9.084 3.453 -17.591 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -11.341 1.191 -18.032 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.379 2.163 -19.103 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -10.621 2.113 -19.373 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -8.799 3.827 -15.203 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -9.874 5.061 -15.903 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -10.559 3.718 -14.958 1.00 0.00 H new ATOM 987 N LEU A 70 -12.290 4.534 -20.670 1.00 0.00 N ATOM 988 CA LEU A 70 -13.375 4.562 -21.590 1.00 0.00 C ATOM 989 C LEU A 70 -13.996 3.220 -21.615 1.00 0.00 C ATOM 990 O LEU A 70 -13.365 2.211 -21.276 1.00 0.00 O ATOM 991 CB LEU A 70 -12.933 4.886 -23.004 1.00 0.00 C ATOM 992 CG LEU A 70 -12.006 6.045 -23.186 1.00 0.00 C ATOM 993 CD1 LEU A 70 -11.605 6.192 -24.643 1.00 0.00 C ATOM 994 CD2 LEU A 70 -12.600 7.321 -22.675 1.00 0.00 C ATOM 0 H LEU A 70 -11.373 4.377 -21.088 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.065 5.339 -21.260 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.450 4.000 -23.417 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.825 5.071 -23.602 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.113 5.839 -22.596 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.931 7.042 -24.751 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.101 5.284 -24.975 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.495 6.356 -25.251 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.894 8.137 -22.827 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.523 7.534 -23.214 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.816 7.221 -21.611 1.00 0.00 H new ATOM 1006 N THR A 71 -15.139 3.189 -22.142 1.00 0.00 N ATOM 1007 CA THR A 71 -15.931 1.978 -22.200 1.00 0.00 C ATOM 1008 C THR A 71 -15.394 1.064 -23.283 1.00 0.00 C ATOM 1009 O THR A 71 -15.639 -0.136 -23.298 1.00 0.00 O ATOM 1010 CB THR A 71 -17.388 2.321 -22.450 1.00 0.00 C ATOM 1011 OG1 THR A 71 -17.465 3.160 -23.602 1.00 0.00 O ATOM 1012 CG2 THR A 71 -17.963 3.061 -21.252 1.00 0.00 C ATOM 0 H THR A 71 -15.589 4.002 -22.563 1.00 0.00 H new ATOM 0 HA THR A 71 -15.864 1.456 -21.246 1.00 0.00 H new ATOM 0 HB THR A 71 -17.958 1.405 -22.607 1.00 0.00 H new ATOM 0 HG1 THR A 71 -18.386 3.171 -23.938 1.00 0.00 H new ATOM 0 HG21 THR A 71 -19.009 3.303 -21.441 1.00 0.00 H new ATOM 0 HG22 THR A 71 -17.891 2.430 -20.366 1.00 0.00 H new ATOM 0 HG23 THR A 71 -17.402 3.981 -21.089 1.00 0.00 H new ATOM 1020 N ASN A 72 -14.604 1.657 -24.159 1.00 0.00 N ATOM 1021 CA ASN A 72 -13.927 0.960 -25.236 1.00 0.00 C ATOM 1022 C ASN A 72 -12.799 0.096 -24.670 1.00 0.00 C ATOM 1023 O ASN A 72 -12.193 -0.700 -25.379 1.00 0.00 O ATOM 1024 CB ASN A 72 -13.344 1.970 -26.242 1.00 0.00 C ATOM 1025 CG ASN A 72 -14.389 2.891 -26.862 1.00 0.00 C ATOM 1026 OD1 ASN A 72 -15.553 2.531 -27.025 1.00 0.00 O ATOM 1027 ND2 ASN A 72 -13.979 4.071 -27.231 1.00 0.00 N ATOM 0 H ASN A 72 -14.411 2.658 -24.141 1.00 0.00 H new ATOM 0 HA ASN A 72 -14.650 0.324 -25.747 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.591 2.576 -25.739 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.836 1.425 -27.037 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.630 4.724 -27.668 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.007 4.342 -27.083 1.00 0.00 H new ATOM 1034 N GLY A 73 -12.506 0.281 -23.384 1.00 0.00 N ATOM 1035 CA GLY A 73 -11.485 -0.494 -22.737 1.00 0.00 C ATOM 1036 C GLY A 73 -10.165 0.194 -22.836 1.00 0.00 C ATOM 1037 O GLY A 73 -9.112 -0.437 -22.762 1.00 0.00 O ATOM 0 H GLY A 73 -12.968 0.963 -22.783 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.745 -0.646 -21.689 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.423 -1.480 -23.197 1.00 0.00 H new ATOM 1041 N LYS A 74 -10.215 1.490 -23.040 1.00 0.00 N ATOM 1042 CA LYS A 74 -9.033 2.270 -23.202 1.00 0.00 C ATOM 1043 C LYS A 74 -8.926 3.224 -22.051 1.00 0.00 C ATOM 1044 O LYS A 74 -9.932 3.712 -21.577 1.00 0.00 O ATOM 1045 CB LYS A 74 -9.097 3.038 -24.516 1.00 0.00 C ATOM 1046 CG LYS A 74 -9.345 2.170 -25.750 1.00 0.00 C ATOM 1047 CD LYS A 74 -8.302 1.072 -25.886 1.00 0.00 C ATOM 1048 CE LYS A 74 -8.539 0.218 -27.122 1.00 0.00 C ATOM 1049 NZ LYS A 74 -8.387 0.985 -28.376 1.00 0.00 N1+ ATOM 0 H LYS A 74 -11.082 2.024 -23.097 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.158 1.621 -23.223 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.889 3.784 -24.447 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.161 3.579 -24.651 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.337 1.723 -25.687 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.333 2.795 -26.643 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.309 1.518 -25.938 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.322 0.440 -24.998 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.838 -0.617 -27.123 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.542 -0.208 -27.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.373 0.330 -29.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.185 1.644 -28.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.496 1.521 -28.349 1.00 0.00 H new ATOM 1063 N GLN A 75 -7.738 3.525 -21.635 1.00 0.00 N ATOM 1064 CA GLN A 75 -7.526 4.406 -20.483 1.00 0.00 C ATOM 1065 C GLN A 75 -7.476 5.889 -20.892 1.00 0.00 C ATOM 1066 O GLN A 75 -6.819 6.711 -20.243 1.00 0.00 O ATOM 1067 CB GLN A 75 -6.290 3.972 -19.680 1.00 0.00 C ATOM 1068 CG GLN A 75 -6.420 2.552 -19.127 1.00 0.00 C ATOM 1069 CD GLN A 75 -5.271 2.124 -18.237 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -5.305 2.306 -17.017 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -4.249 1.562 -18.826 1.00 0.00 N ATOM 0 H GLN A 75 -6.880 3.181 -22.066 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.388 4.306 -19.824 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -5.408 4.031 -20.317 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.134 4.667 -18.855 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -7.349 2.478 -18.562 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -6.498 1.855 -19.961 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -4.254 1.427 -19.837 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.446 1.258 -18.275 1.00 0.00 H new ATOM 1080 N ALA A 76 -8.218 6.195 -21.970 1.00 0.00 N ATOM 1081 CA ALA A 76 -8.446 7.544 -22.505 1.00 0.00 C ATOM 1082 C ALA A 76 -7.222 8.174 -23.184 1.00 0.00 C ATOM 1083 O ALA A 76 -6.066 7.807 -22.896 1.00 0.00 O ATOM 1084 CB ALA A 76 -9.025 8.476 -21.432 1.00 0.00 C ATOM 0 H ALA A 76 -8.695 5.476 -22.514 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.182 7.417 -23.299 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.183 9.467 -21.858 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.976 8.077 -21.078 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.328 8.547 -20.597 1.00 0.00 H new ATOM 1090 N PRO A 77 -7.468 9.078 -24.170 1.00 0.00 N ATOM 1091 CA PRO A 77 -6.420 9.883 -24.784 1.00 0.00 C ATOM 1092 C PRO A 77 -5.717 10.724 -23.727 1.00 0.00 C ATOM 1093 O PRO A 77 -6.344 11.230 -22.793 1.00 0.00 O ATOM 1094 CB PRO A 77 -7.167 10.801 -25.754 1.00 0.00 C ATOM 1095 CG PRO A 77 -8.453 10.118 -26.022 1.00 0.00 C ATOM 1096 CD PRO A 77 -8.784 9.334 -24.787 1.00 0.00 C ATOM 0 HA PRO A 77 -5.661 9.273 -25.274 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.328 11.787 -25.318 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.600 10.948 -26.673 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -9.238 10.841 -26.244 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.370 9.461 -26.888 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.437 9.896 -24.119 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.300 8.405 -25.029 1.00 0.00 H new ATOM 1104 N ASP A 78 -4.453 10.910 -23.904 1.00 0.00 N ATOM 1105 CA ASP A 78 -3.618 11.588 -22.936 1.00 0.00 C ATOM 1106 C ASP A 78 -3.835 13.090 -22.974 1.00 0.00 C ATOM 1107 O ASP A 78 -3.503 13.806 -22.025 1.00 0.00 O ATOM 1108 CB ASP A 78 -2.149 11.241 -23.167 1.00 0.00 C ATOM 1109 CG ASP A 78 -1.912 9.748 -23.162 1.00 0.00 C ATOM 1110 OD1 ASP A 78 -1.920 9.128 -22.085 1.00 0.00 O1- ATOM 1111 OD2 ASP A 78 -1.743 9.151 -24.259 1.00 0.00 O ATOM 0 H ASP A 78 -3.951 10.595 -24.734 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.903 11.243 -21.942 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.824 11.656 -24.121 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.540 11.707 -22.392 1.00 0.00 H new ATOM 1116 N TRP A 79 -4.404 13.565 -24.063 1.00 0.00 N ATOM 1117 CA TRP A 79 -4.736 14.968 -24.203 1.00 0.00 C ATOM 1118 C TRP A 79 -6.137 15.247 -23.645 1.00 0.00 C ATOM 1119 O TRP A 79 -6.606 16.372 -23.634 1.00 0.00 O ATOM 1120 CB TRP A 79 -4.608 15.428 -25.665 1.00 0.00 C ATOM 1121 CG TRP A 79 -5.451 14.686 -26.651 1.00 0.00 C ATOM 1122 CD1 TRP A 79 -5.046 13.665 -27.430 1.00 0.00 C ATOM 1123 CD2 TRP A 79 -6.833 14.925 -26.981 1.00 0.00 C ATOM 1124 NE1 TRP A 79 -6.077 13.233 -28.220 1.00 0.00 N ATOM 1125 CE2 TRP A 79 -7.185 13.992 -27.965 1.00 0.00 C ATOM 1126 CE3 TRP A 79 -7.802 15.832 -26.534 1.00 0.00 C ATOM 1127 CZ2 TRP A 79 -8.457 13.935 -28.515 1.00 0.00 C ATOM 1128 CZ3 TRP A 79 -9.066 15.775 -27.080 1.00 0.00 C ATOM 1129 CH2 TRP A 79 -9.383 14.833 -28.060 1.00 0.00 C ATOM 0 H TRP A 79 -4.648 12.993 -24.872 1.00 0.00 H new ATOM 0 HA TRP A 79 -4.021 15.548 -23.620 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -4.865 16.486 -25.718 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -3.564 15.338 -25.966 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -4.050 13.247 -27.431 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -6.027 12.467 -28.892 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.563 16.563 -25.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -8.707 13.209 -29.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -9.822 16.469 -26.745 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.383 14.813 -28.468 1.00 0.00 H new ATOM 1140 N LEU A 80 -6.800 14.210 -23.216 1.00 0.00 N ATOM 1141 CA LEU A 80 -8.074 14.345 -22.585 1.00 0.00 C ATOM 1142 C LEU A 80 -7.800 14.406 -21.102 1.00 0.00 C ATOM 1143 O LEU A 80 -7.343 13.419 -20.495 1.00 0.00 O ATOM 1144 CB LEU A 80 -8.991 13.158 -22.931 1.00 0.00 C ATOM 1145 CG LEU A 80 -10.416 13.211 -22.364 1.00 0.00 C ATOM 1146 CD1 LEU A 80 -11.176 14.421 -22.898 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -11.167 11.926 -22.678 1.00 0.00 C ATOM 0 H LEU A 80 -6.469 13.249 -23.296 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.593 15.240 -22.928 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.057 13.082 -24.016 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.515 12.244 -22.576 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.342 13.312 -21.281 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -12.182 14.432 -22.479 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.654 15.334 -22.612 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -11.236 14.362 -23.985 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -12.175 11.984 -22.267 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.222 11.792 -23.758 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.642 11.080 -22.234 1.00 0.00 H new ATOM 1159 N ALA A 81 -8.011 15.544 -20.534 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.667 15.763 -19.159 1.00 0.00 C ATOM 1161 C ALA A 81 -8.902 15.866 -18.330 1.00 0.00 C ATOM 1162 O ALA A 81 -9.950 16.268 -18.825 1.00 0.00 O ATOM 1163 CB ALA A 81 -6.831 17.021 -19.022 1.00 0.00 C ATOM 0 H ALA A 81 -8.425 16.350 -21.002 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.080 14.916 -18.804 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.576 17.176 -17.974 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.917 16.916 -19.606 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.398 17.877 -19.388 1.00 0.00 H new ATOM 1169 N ALA A 82 -8.791 15.486 -17.094 1.00 0.00 N ATOM 1170 CA ALA A 82 -9.883 15.558 -16.171 1.00 0.00 C ATOM 1171 C ALA A 82 -9.389 16.030 -14.814 1.00 0.00 C ATOM 1172 O ALA A 82 -8.404 15.510 -14.284 1.00 0.00 O ATOM 1173 CB ALA A 82 -10.575 14.206 -16.058 1.00 0.00 C ATOM 0 H ALA A 82 -7.930 15.113 -16.693 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.611 16.279 -16.542 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.403 14.279 -15.352 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.956 13.910 -17.035 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.862 13.461 -15.705 1.00 0.00 H new ATOM 1179 N GLU A 83 -10.048 17.018 -14.276 1.00 0.00 N ATOM 1180 CA GLU A 83 -9.727 17.553 -12.984 1.00 0.00 C ATOM 1181 C GLU A 83 -10.891 17.317 -12.038 1.00 0.00 C ATOM 1182 O GLU A 83 -12.052 17.482 -12.430 1.00 0.00 O ATOM 1183 CB GLU A 83 -9.375 19.041 -13.055 1.00 0.00 C ATOM 1184 CG GLU A 83 -8.111 19.330 -13.844 1.00 0.00 C ATOM 1185 CD GLU A 83 -7.727 20.783 -13.813 1.00 0.00 C ATOM 1186 OE1 GLU A 83 -7.351 21.299 -12.739 1.00 0.00 O ATOM 1187 OE2 GLU A 83 -7.752 21.443 -14.861 1.00 0.00 O1- ATOM 0 H GLU A 83 -10.835 17.481 -14.730 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.843 17.037 -12.608 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.207 19.581 -13.507 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.257 19.427 -12.042 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.292 18.733 -13.442 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.254 19.018 -14.879 1.00 0.00 H new ATOM 1194 N PRO A 84 -10.600 16.881 -10.815 1.00 0.00 N ATOM 1195 CA PRO A 84 -11.607 16.565 -9.804 1.00 0.00 C ATOM 1196 C PRO A 84 -12.450 17.770 -9.416 1.00 0.00 C ATOM 1197 O PRO A 84 -11.922 18.831 -9.048 1.00 0.00 O ATOM 1198 CB PRO A 84 -10.760 16.072 -8.622 1.00 0.00 C ATOM 1199 CG PRO A 84 -9.419 16.636 -8.853 1.00 0.00 C ATOM 1200 CD PRO A 84 -9.247 16.621 -10.317 1.00 0.00 C ATOM 0 HA PRO A 84 -12.336 15.835 -10.158 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.173 16.411 -7.672 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.729 14.983 -8.585 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.343 17.649 -8.457 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.650 16.042 -8.359 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.543 17.384 -10.648 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.866 15.662 -10.668 1.00 0.00 H new ATOM 1208 N TYR A 85 -13.741 17.622 -9.522 1.00 0.00 N ATOM 1209 CA TYR A 85 -14.650 18.664 -9.189 1.00 0.00 C ATOM 1210 C TYR A 85 -15.350 18.311 -7.894 1.00 0.00 C ATOM 1211 O TYR A 85 -16.332 17.521 -7.919 1.00 0.00 O ATOM 1212 CB TYR A 85 -15.658 18.901 -10.315 1.00 0.00 C ATOM 1213 CG TYR A 85 -16.575 20.083 -10.091 1.00 0.00 C ATOM 1214 CD1 TYR A 85 -16.140 21.372 -10.350 1.00 0.00 C ATOM 1215 CD2 TYR A 85 -17.871 19.912 -9.619 1.00 0.00 C ATOM 1216 CE1 TYR A 85 -16.964 22.453 -10.147 1.00 0.00 C ATOM 1217 CE2 TYR A 85 -18.700 20.991 -9.414 1.00 0.00 C ATOM 1218 CZ TYR A 85 -18.241 22.257 -9.678 1.00 0.00 C ATOM 1219 OH TYR A 85 -19.071 23.340 -9.478 1.00 0.00 O ATOM 1220 OXT TYR A 85 -14.921 18.817 -6.837 1.00 0.00 O1- ATOM 0 H TYR A 85 -14.188 16.764 -9.846 1.00 0.00 H new ATOM 0 HA TYR A 85 -14.097 19.594 -9.057 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -15.114 19.049 -11.248 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -16.265 18.004 -10.439 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -15.137 21.530 -10.718 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -18.233 18.916 -9.410 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -16.610 23.452 -10.355 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -19.705 20.842 -9.048 1.00 0.00 H new ATOM 0 HH TYR A 85 -19.939 23.030 -9.145 1.00 0.00 H new TER 1230 TYR A 85