USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 520 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 NoAdj-H: A 41 HIS HD1 : A 41 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 7:sc= 0.341 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.397 X(o=-0.4,f=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.3) USER MOD Single : A 25 HIS :FLIP no HD1:sc= -5.33! C(o=-6.4!,f=-5.3!) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 27 ASN : amide:sc= 0.699 K(o=0.7,f=-3.9!) USER MOD Single : A 30 MET CE :methyl -140:sc= -0.263 (180deg=-0.98) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.69 K(o=-1.7,f=-13!) USER MOD Single : A 62 TYR OH : rot 180:sc= -2.05 USER MOD Single : A 66 ASN : amide:sc= -1.84! C(o=-1.8!,f=-4.8!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 24:sc= 0.837 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.989 9.322 29.792 1.00 0.00 N ATOM 2 CA GLY A 1 -16.732 9.783 29.233 1.00 0.00 C ATOM 3 C GLY A 1 -16.627 11.295 29.209 1.00 0.00 C ATOM 4 O GLY A 1 -17.173 11.948 28.319 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.011 8.282 29.786 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.081 9.665 30.770 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.778 9.688 29.222 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.907 9.374 29.816 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.627 9.399 28.219 1.00 0.00 H new ATOM 8 N SER A 2 -15.925 11.853 30.190 1.00 0.00 N ATOM 9 CA SER A 2 -15.756 13.299 30.281 1.00 0.00 C ATOM 10 C SER A 2 -14.279 13.667 30.390 1.00 0.00 C ATOM 11 O SER A 2 -13.492 12.947 31.004 1.00 0.00 O ATOM 12 CB SER A 2 -16.520 13.848 31.487 1.00 0.00 C ATOM 13 OG SER A 2 -16.625 15.260 31.424 1.00 0.00 O ATOM 0 H SER A 2 -15.464 11.327 30.932 1.00 0.00 H new ATOM 0 HA SER A 2 -16.158 13.745 29.371 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.516 13.407 31.522 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.011 13.559 32.406 1.00 0.00 H new ATOM 0 HG SER A 2 -17.119 15.586 32.205 1.00 0.00 H new ATOM 19 N SER A 3 -13.910 14.793 29.788 1.00 0.00 N ATOM 20 CA SER A 3 -12.528 15.256 29.812 1.00 0.00 C ATOM 21 C SER A 3 -12.455 16.727 30.209 1.00 0.00 C ATOM 22 O SER A 3 -11.794 17.087 31.182 1.00 0.00 O ATOM 23 CB SER A 3 -11.875 15.052 28.444 1.00 0.00 C ATOM 24 OG SER A 3 -10.472 15.239 28.516 1.00 0.00 O ATOM 0 H SER A 3 -14.550 15.402 29.277 1.00 0.00 H new ATOM 0 HA SER A 3 -11.987 14.670 30.555 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.093 14.048 28.079 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.302 15.752 27.726 1.00 0.00 H new ATOM 0 HG SER A 3 -10.078 15.101 27.629 1.00 0.00 H new ATOM 30 N GLY A 4 -13.140 17.574 29.447 1.00 0.00 N ATOM 31 CA GLY A 4 -13.140 18.997 29.733 1.00 0.00 C ATOM 32 C GLY A 4 -12.786 19.833 28.520 1.00 0.00 C ATOM 33 O GLY A 4 -13.655 20.175 27.718 1.00 0.00 O ATOM 0 H GLY A 4 -13.695 17.300 28.636 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.124 19.291 30.098 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.429 19.204 30.533 1.00 0.00 H new ATOM 37 N SER A 5 -11.505 20.164 28.385 1.00 0.00 N ATOM 38 CA SER A 5 -11.039 20.970 27.263 1.00 0.00 C ATOM 39 C SER A 5 -9.769 20.377 26.659 1.00 0.00 C ATOM 40 O SER A 5 -9.177 19.452 27.215 1.00 0.00 O ATOM 41 CB SER A 5 -10.778 22.408 27.714 1.00 0.00 C ATOM 42 OG SER A 5 -9.703 22.467 28.636 1.00 0.00 O ATOM 0 H SER A 5 -10.773 19.886 29.038 1.00 0.00 H new ATOM 0 HA SER A 5 -11.818 20.971 26.501 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.552 23.029 26.847 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.678 22.817 28.173 1.00 0.00 H new ATOM 0 HG SER A 5 -9.555 23.397 28.907 1.00 0.00 H new ATOM 48 N SER A 6 -9.357 20.916 25.516 1.00 0.00 N ATOM 49 CA SER A 6 -8.161 20.439 24.833 1.00 0.00 C ATOM 50 C SER A 6 -7.523 21.555 24.011 1.00 0.00 C ATOM 51 O SER A 6 -8.210 22.447 23.516 1.00 0.00 O ATOM 52 CB SER A 6 -8.503 19.255 23.927 1.00 0.00 C ATOM 53 OG SER A 6 -8.794 18.097 24.690 1.00 0.00 O ATOM 0 H SER A 6 -9.834 21.684 25.044 1.00 0.00 H new ATOM 0 HA SER A 6 -7.446 20.114 25.589 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.359 19.507 23.302 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.668 19.052 23.257 1.00 0.00 H new ATOM 0 HG SER A 6 -8.819 18.330 25.642 1.00 0.00 H new ATOM 59 N GLY A 7 -6.202 21.497 23.870 1.00 0.00 N ATOM 60 CA GLY A 7 -5.492 22.508 23.108 1.00 0.00 C ATOM 61 C GLY A 7 -3.993 22.288 23.108 1.00 0.00 C ATOM 62 O GLY A 7 -3.293 22.741 24.014 1.00 0.00 O ATOM 0 H GLY A 7 -5.611 20.768 24.270 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.856 22.507 22.081 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.712 23.492 23.523 1.00 0.00 H new ATOM 66 N GLU A 8 -3.498 21.589 22.092 1.00 0.00 N ATOM 67 CA GLU A 8 -2.071 21.308 21.981 1.00 0.00 C ATOM 68 C GLU A 8 -1.680 21.043 20.530 1.00 0.00 C ATOM 69 O GLU A 8 -2.538 20.824 19.674 1.00 0.00 O ATOM 70 CB GLU A 8 -1.697 20.104 22.849 1.00 0.00 C ATOM 71 CG GLU A 8 -1.970 20.313 24.329 1.00 0.00 C ATOM 72 CD GLU A 8 -1.632 19.093 25.163 1.00 0.00 C ATOM 73 OE1 GLU A 8 -2.032 17.977 24.771 1.00 0.00 O ATOM 74 OE2 GLU A 8 -0.966 19.254 26.207 1.00 0.00 O ATOM 0 H GLU A 8 -4.063 21.207 21.334 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.526 22.184 22.332 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.253 19.232 22.505 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.639 19.882 22.711 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.389 21.164 24.685 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.021 20.564 24.469 1.00 0.00 H new ATOM 81 N CYS A 9 -0.379 21.066 20.261 1.00 0.00 N ATOM 82 CA CYS A 9 0.127 20.830 18.913 1.00 0.00 C ATOM 83 C CYS A 9 0.157 19.338 18.597 1.00 0.00 C ATOM 84 O CYS A 9 0.371 18.511 19.483 1.00 0.00 O ATOM 85 CB CYS A 9 1.528 21.424 18.761 1.00 0.00 C ATOM 86 SG CYS A 9 1.558 23.230 18.664 1.00 0.00 S ATOM 0 H CYS A 9 0.344 21.245 20.958 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.546 21.319 18.208 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.139 21.106 19.606 1.00 0.00 H new ATOM 0 HB3 CYS A 9 1.989 21.015 17.862 1.00 0.00 H new ATOM 0 HG CYS A 9 2.786 23.638 18.539 1.00 0.00 H new ATOM 92 N GLU A 10 -0.060 19.003 17.329 1.00 0.00 N ATOM 93 CA GLU A 10 -0.061 17.610 16.897 1.00 0.00 C ATOM 94 C GLU A 10 -0.105 17.512 15.375 1.00 0.00 C ATOM 95 O GLU A 10 -0.414 18.486 14.688 1.00 0.00 O ATOM 96 CB GLU A 10 -1.253 16.866 17.502 1.00 0.00 C ATOM 97 CG GLU A 10 -2.600 17.417 17.064 1.00 0.00 C ATOM 98 CD GLU A 10 -3.758 16.792 17.817 1.00 0.00 C ATOM 99 OE1 GLU A 10 -3.610 16.544 19.032 1.00 0.00 O ATOM 100 OE2 GLU A 10 -4.813 16.552 17.192 1.00 0.00 O ATOM 0 H GLU A 10 -0.237 19.676 16.584 1.00 0.00 H new ATOM 0 HA GLU A 10 0.862 17.147 17.247 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.193 15.814 17.224 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.187 16.913 18.589 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.613 18.496 17.215 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.730 17.243 15.996 1.00 0.00 H new ATOM 107 N VAL A 11 0.208 16.330 14.855 1.00 0.00 N ATOM 108 CA VAL A 11 0.204 16.103 13.414 1.00 0.00 C ATOM 109 C VAL A 11 -1.141 16.479 12.803 1.00 0.00 C ATOM 110 O VAL A 11 -1.210 16.934 11.661 1.00 0.00 O ATOM 111 CB VAL A 11 0.516 14.633 13.077 1.00 0.00 C ATOM 112 CG1 VAL A 11 -0.553 13.715 13.649 1.00 0.00 C ATOM 113 CG2 VAL A 11 0.640 14.448 11.572 1.00 0.00 C ATOM 0 H VAL A 11 0.468 15.514 15.410 1.00 0.00 H new ATOM 0 HA VAL A 11 0.982 16.738 12.991 1.00 0.00 H new ATOM 0 HB VAL A 11 1.470 14.368 13.533 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.315 12.681 13.401 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.589 13.829 14.732 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.522 13.976 13.225 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.861 13.404 11.351 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.297 14.730 11.092 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.446 15.077 11.193 1.00 0.00 H new ATOM 123 N TYR A 12 -2.208 16.287 13.570 1.00 0.00 N ATOM 124 CA TYR A 12 -3.553 16.604 13.103 1.00 0.00 C ATOM 125 C TYR A 12 -3.768 18.113 13.048 1.00 0.00 C ATOM 126 O TYR A 12 -3.379 18.841 13.961 1.00 0.00 O ATOM 127 CB TYR A 12 -4.597 15.962 14.017 1.00 0.00 C ATOM 128 CG TYR A 12 -4.620 14.452 13.942 1.00 0.00 C ATOM 129 CD1 TYR A 12 -3.660 13.689 14.595 1.00 0.00 C ATOM 130 CD2 TYR A 12 -5.604 13.787 13.220 1.00 0.00 C ATOM 131 CE1 TYR A 12 -3.677 12.309 14.529 1.00 0.00 C ATOM 132 CE2 TYR A 12 -5.630 12.408 13.149 1.00 0.00 C ATOM 133 CZ TYR A 12 -4.664 11.673 13.805 1.00 0.00 C ATOM 134 OH TYR A 12 -4.685 10.299 13.738 1.00 0.00 O ATOM 0 H TYR A 12 -2.168 15.913 14.518 1.00 0.00 H new ATOM 0 HA TYR A 12 -3.665 16.202 12.096 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.401 16.263 15.046 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.583 16.346 13.754 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.887 14.183 15.164 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.362 14.359 12.705 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.922 11.731 15.041 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -6.402 11.908 12.583 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.444 10.010 13.190 1.00 0.00 H new ATOM 144 N ASP A 13 -4.392 18.576 11.970 1.00 0.00 N ATOM 145 CA ASP A 13 -4.662 19.998 11.794 1.00 0.00 C ATOM 146 C ASP A 13 -6.048 20.219 11.196 1.00 0.00 C ATOM 147 O ASP A 13 -6.412 19.629 10.179 1.00 0.00 O ATOM 148 CB ASP A 13 -3.599 20.634 10.897 1.00 0.00 C ATOM 149 CG ASP A 13 -2.225 20.637 11.540 1.00 0.00 C ATOM 150 OD1 ASP A 13 -1.662 19.541 11.738 1.00 0.00 O ATOM 151 OD2 ASP A 13 -1.715 21.735 11.845 1.00 0.00 O ATOM 0 H ASP A 13 -4.720 17.987 11.205 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.630 20.472 12.775 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.554 20.092 9.952 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.890 21.658 10.664 1.00 0.00 H new ATOM 156 N PRO A 14 -6.840 21.087 11.842 1.00 0.00 N ATOM 157 CA PRO A 14 -8.199 21.404 11.392 1.00 0.00 C ATOM 158 C PRO A 14 -8.207 22.209 10.097 1.00 0.00 C ATOM 159 O PRO A 14 -9.007 21.949 9.199 1.00 0.00 O ATOM 160 CB PRO A 14 -8.768 22.237 12.543 1.00 0.00 C ATOM 161 CG PRO A 14 -7.575 22.837 13.203 1.00 0.00 C ATOM 162 CD PRO A 14 -6.471 21.826 13.061 1.00 0.00 C ATOM 0 HA PRO A 14 -8.776 20.506 11.172 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.447 23.007 12.176 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.335 21.617 13.238 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.302 23.781 12.732 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.776 23.051 14.253 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.497 22.306 12.961 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.415 21.168 13.928 1.00 0.00 H new ATOM 170 N ASN A 15 -7.311 23.187 10.007 1.00 0.00 N ATOM 171 CA ASN A 15 -7.216 24.030 8.821 1.00 0.00 C ATOM 172 C ASN A 15 -6.879 23.198 7.588 1.00 0.00 C ATOM 173 O ASN A 15 -7.468 23.381 6.523 1.00 0.00 O ATOM 174 CB ASN A 15 -6.155 25.114 9.024 1.00 0.00 C ATOM 175 CG ASN A 15 -6.500 26.054 10.163 1.00 0.00 C ATOM 176 OD1 ASN A 15 -7.091 27.113 9.951 1.00 0.00 O ATOM 177 ND2 ASN A 15 -6.131 25.670 11.379 1.00 0.00 N ATOM 0 H ASN A 15 -6.641 23.415 10.741 1.00 0.00 H new ATOM 0 HA ASN A 15 -8.185 24.504 8.664 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.192 24.643 9.224 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -6.045 25.688 8.104 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.336 26.261 12.185 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.643 24.784 11.508 1.00 0.00 H new ATOM 184 N ALA A 16 -5.929 22.281 7.740 1.00 0.00 N ATOM 185 CA ALA A 16 -5.516 21.419 6.640 1.00 0.00 C ATOM 186 C ALA A 16 -6.297 20.109 6.646 1.00 0.00 C ATOM 187 O ALA A 16 -6.104 19.263 7.521 1.00 0.00 O ATOM 188 CB ALA A 16 -4.021 21.145 6.718 1.00 0.00 C ATOM 0 H ALA A 16 -5.431 22.116 8.615 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.732 21.936 5.705 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.726 20.500 5.891 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.475 22.086 6.657 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.790 20.652 7.662 1.00 0.00 H new ATOM 194 N LEU A 17 -7.179 19.948 5.667 1.00 0.00 N ATOM 195 CA LEU A 17 -7.991 18.740 5.560 1.00 0.00 C ATOM 196 C LEU A 17 -8.115 18.295 4.106 1.00 0.00 C ATOM 197 O LEU A 17 -8.505 19.077 3.238 1.00 0.00 O ATOM 198 CB LEU A 17 -9.381 18.982 6.151 1.00 0.00 C ATOM 199 CG LEU A 17 -9.416 19.553 7.569 1.00 0.00 C ATOM 200 CD1 LEU A 17 -10.825 20.000 7.929 1.00 0.00 C ATOM 201 CD2 LEU A 17 -8.909 18.525 8.571 1.00 0.00 C ATOM 0 H LEU A 17 -7.351 20.638 4.936 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.496 17.948 6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.920 19.663 5.493 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.925 18.038 6.147 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.759 20.422 7.607 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.831 20.404 8.942 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -11.152 20.769 7.230 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.502 19.148 7.874 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.941 18.949 9.575 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.540 17.637 8.532 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.883 18.252 8.325 1.00 0.00 H new ATOM 213 N TYR A 18 -7.783 17.035 3.848 1.00 0.00 N ATOM 214 CA TYR A 18 -7.857 16.486 2.500 1.00 0.00 C ATOM 215 C TYR A 18 -8.863 15.340 2.433 1.00 0.00 C ATOM 216 O TYR A 18 -9.909 15.453 1.793 1.00 0.00 O ATOM 217 CB TYR A 18 -6.480 15.997 2.049 1.00 0.00 C ATOM 218 CG TYR A 18 -5.545 17.112 1.638 1.00 0.00 C ATOM 219 CD1 TYR A 18 -5.892 17.998 0.626 1.00 0.00 C ATOM 220 CD2 TYR A 18 -4.316 17.281 2.264 1.00 0.00 C ATOM 221 CE1 TYR A 18 -5.041 19.018 0.247 1.00 0.00 C ATOM 222 CE2 TYR A 18 -3.460 18.299 1.892 1.00 0.00 C ATOM 223 CZ TYR A 18 -3.826 19.165 0.883 1.00 0.00 C ATOM 224 OH TYR A 18 -2.977 20.181 0.509 1.00 0.00 O ATOM 0 H TYR A 18 -7.460 16.375 4.555 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.191 17.279 1.830 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -6.022 15.430 2.860 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.604 15.311 1.211 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.843 17.888 0.127 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.025 16.605 3.055 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.326 19.697 -0.543 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.508 18.416 2.389 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.164 20.146 1.056 1.00 0.00 H new ATOM 234 N CYS A 19 -8.538 14.237 3.098 1.00 0.00 N ATOM 235 CA CYS A 19 -9.411 13.070 3.116 1.00 0.00 C ATOM 236 C CYS A 19 -10.789 13.429 3.666 1.00 0.00 C ATOM 237 O CYS A 19 -10.976 14.496 4.250 1.00 0.00 O ATOM 238 CB CYS A 19 -8.789 11.955 3.959 1.00 0.00 C ATOM 239 SG CYS A 19 -9.590 10.332 3.753 1.00 0.00 S ATOM 0 H CYS A 19 -7.676 14.127 3.632 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.528 12.720 2.091 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -7.734 11.863 3.699 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -8.835 12.240 5.010 1.00 0.00 H new ATOM 244 N ILE A 20 -11.749 12.530 3.474 1.00 0.00 N ATOM 245 CA ILE A 20 -13.108 12.752 3.951 1.00 0.00 C ATOM 246 C ILE A 20 -13.173 12.692 5.474 1.00 0.00 C ATOM 247 O ILE A 20 -14.049 13.296 6.093 1.00 0.00 O ATOM 248 CB ILE A 20 -14.086 11.715 3.366 1.00 0.00 C ATOM 249 CG1 ILE A 20 -13.594 10.296 3.659 1.00 0.00 C ATOM 250 CG2 ILE A 20 -14.249 11.927 1.869 1.00 0.00 C ATOM 251 CD1 ILE A 20 -14.628 9.229 3.377 1.00 0.00 C ATOM 0 H ILE A 20 -11.611 11.642 2.992 1.00 0.00 H new ATOM 0 HA ILE A 20 -13.402 13.747 3.616 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.059 11.847 3.840 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.705 10.097 3.060 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.294 10.233 4.705 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -14.943 11.187 1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -14.640 12.928 1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -13.282 11.819 1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -14.211 8.248 3.607 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.508 9.403 3.996 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -14.911 9.265 2.325 1.00 0.00 H new ATOM 263 N CYS A 21 -12.238 11.961 6.072 1.00 0.00 N ATOM 264 CA CYS A 21 -12.187 11.823 7.522 1.00 0.00 C ATOM 265 C CYS A 21 -11.558 13.056 8.164 1.00 0.00 C ATOM 266 O CYS A 21 -11.245 13.058 9.355 1.00 0.00 O ATOM 267 CB CYS A 21 -11.394 10.573 7.909 1.00 0.00 C ATOM 268 SG CYS A 21 -9.630 10.643 7.459 1.00 0.00 S ATOM 0 H CYS A 21 -11.505 11.455 5.574 1.00 0.00 H new ATOM 0 HA CYS A 21 -13.209 11.725 7.889 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.478 10.421 8.985 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.846 9.705 7.429 1.00 0.00 H new ATOM 273 N ARG A 22 -11.376 14.104 7.367 1.00 0.00 N ATOM 274 CA ARG A 22 -10.784 15.343 7.856 1.00 0.00 C ATOM 275 C ARG A 22 -9.456 15.071 8.557 1.00 0.00 C ATOM 276 O ARG A 22 -9.249 15.488 9.697 1.00 0.00 O ATOM 277 CB ARG A 22 -11.745 16.048 8.816 1.00 0.00 C ATOM 278 CG ARG A 22 -12.826 16.852 8.113 1.00 0.00 C ATOM 279 CD ARG A 22 -13.807 15.948 7.383 1.00 0.00 C ATOM 280 NE ARG A 22 -14.972 16.682 6.897 1.00 0.00 N ATOM 281 CZ ARG A 22 -16.023 16.977 7.654 1.00 0.00 C ATOM 282 NH1 ARG A 22 -16.055 16.601 8.925 1.00 0.00 N ATOM 283 NH2 ARG A 22 -17.045 17.649 7.139 1.00 0.00 N ATOM 0 H ARG A 22 -11.630 14.119 6.379 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.597 15.990 6.999 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.217 15.303 9.457 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.175 16.712 9.466 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.362 17.459 8.843 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.366 17.540 7.403 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.303 15.471 6.543 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.134 15.152 8.053 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.979 16.985 5.923 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.271 16.084 9.324 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.863 16.829 9.504 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.024 17.939 6.161 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.852 17.875 7.721 1.00 0.00 H new ATOM 297 N GLN A 23 -8.562 14.370 7.868 1.00 0.00 N ATOM 298 CA GLN A 23 -7.255 14.042 8.426 1.00 0.00 C ATOM 299 C GLN A 23 -6.140 14.406 7.450 1.00 0.00 C ATOM 300 O GLN A 23 -6.315 14.379 6.232 1.00 0.00 O ATOM 301 CB GLN A 23 -7.183 12.553 8.769 1.00 0.00 C ATOM 302 CG GLN A 23 -8.143 12.135 9.871 1.00 0.00 C ATOM 303 CD GLN A 23 -7.892 10.722 10.358 1.00 0.00 C ATOM 304 OE1 GLN A 23 -6.945 10.063 9.928 1.00 0.00 O ATOM 305 NE2 GLN A 23 -8.742 10.247 11.261 1.00 0.00 N ATOM 0 H GLN A 23 -8.718 14.018 6.923 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.120 14.624 9.337 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.397 11.971 7.872 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.165 12.308 9.073 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.051 12.826 10.709 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.167 12.213 9.505 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.513 10.827 11.590 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.623 9.302 11.625 1.00 0.00 H new ATOM 314 N PRO A 24 -4.966 14.756 7.997 1.00 0.00 N ATOM 315 CA PRO A 24 -3.800 15.132 7.193 1.00 0.00 C ATOM 316 C PRO A 24 -3.208 13.945 6.440 1.00 0.00 C ATOM 317 O PRO A 24 -3.728 12.831 6.508 1.00 0.00 O ATOM 318 CB PRO A 24 -2.806 15.655 8.233 1.00 0.00 C ATOM 319 CG PRO A 24 -3.194 14.978 9.502 1.00 0.00 C ATOM 320 CD PRO A 24 -4.687 14.810 9.442 1.00 0.00 C ATOM 0 HA PRO A 24 -4.054 15.860 6.422 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.780 15.416 7.955 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.866 16.739 8.328 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -2.696 14.013 9.597 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.903 15.574 10.367 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.010 13.900 9.948 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.205 15.641 9.920 1.00 0.00 H new ATOM 328 N HIS A 25 -2.116 14.191 5.722 1.00 0.00 N ATOM 329 CA HIS A 25 -1.452 13.141 4.957 1.00 0.00 C ATOM 330 C HIS A 25 -0.455 12.382 5.827 1.00 0.00 C ATOM 331 O HIS A 25 0.678 12.821 6.016 1.00 0.00 O ATOM 332 CB HIS A 25 -0.738 13.739 3.745 1.00 0.00 C ATOM 333 CG HIS A 25 -0.122 12.712 2.845 1.00 0.00 C ATOM 334 ND1 HIS A 25 0.451 11.518 3.127 1.00 0.00 N flip ATOM 335 CD2 HIS A 25 -0.048 12.858 1.476 1.00 0.00 C flip ATOM 336 CE1 HIS A 25 0.856 10.970 1.934 1.00 0.00 C flip ATOM 337 NE2 HIS A 25 0.543 11.798 0.954 1.00 0.00 N flip ATOM 0 H HIS A 25 -1.673 15.107 5.654 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.212 12.440 4.612 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.449 14.333 3.171 1.00 0.00 H new ATOM 0 HB3 HIS A 25 0.040 14.420 4.091 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.416 13.706 0.918 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.350 10.017 1.817 1.00 0.00 H new ATOM 0 HE2 HIS A 25 0.726 11.645 -0.038 1.00 0.00 H new ATOM 346 N ASN A 26 -0.886 11.241 6.355 1.00 0.00 N ATOM 347 CA ASN A 26 -0.032 10.422 7.207 1.00 0.00 C ATOM 348 C ASN A 26 0.556 9.252 6.423 1.00 0.00 C ATOM 349 O ASN A 26 0.371 9.149 5.211 1.00 0.00 O ATOM 350 CB ASN A 26 -0.823 9.900 8.407 1.00 0.00 C ATOM 351 CG ASN A 26 -1.571 11.003 9.131 1.00 0.00 C ATOM 352 OD1 ASN A 26 -0.970 11.962 9.614 1.00 0.00 O ATOM 353 ND2 ASN A 26 -2.890 10.870 9.209 1.00 0.00 N ATOM 0 H ASN A 26 -1.822 10.863 6.208 1.00 0.00 H new ATOM 0 HA ASN A 26 0.787 11.046 7.565 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.533 9.144 8.070 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.142 9.410 9.102 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.447 11.580 9.684 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.346 10.058 8.794 1.00 0.00 H new ATOM 360 N ASN A 27 1.265 8.374 7.125 1.00 0.00 N ATOM 361 CA ASN A 27 1.880 7.211 6.495 1.00 0.00 C ATOM 362 C ASN A 27 0.881 6.486 5.598 1.00 0.00 C ATOM 363 O ASN A 27 1.203 6.113 4.469 1.00 0.00 O ATOM 364 CB ASN A 27 2.415 6.252 7.560 1.00 0.00 C ATOM 365 CG ASN A 27 1.512 6.175 8.776 1.00 0.00 C ATOM 366 OD1 ASN A 27 1.315 7.165 9.480 1.00 0.00 O ATOM 367 ND2 ASN A 27 0.958 4.995 9.027 1.00 0.00 N ATOM 0 H ASN A 27 1.428 8.445 8.129 1.00 0.00 H new ATOM 0 HA ASN A 27 2.709 7.559 5.879 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.523 5.257 7.128 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.409 6.575 7.869 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.341 4.882 9.831 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.150 4.201 8.416 1.00 0.00 H new ATOM 374 N ARG A 28 -0.331 6.291 6.107 1.00 0.00 N ATOM 375 CA ARG A 28 -1.376 5.611 5.352 1.00 0.00 C ATOM 376 C ARG A 28 -1.257 5.916 3.862 1.00 0.00 C ATOM 377 O ARG A 28 -0.842 7.008 3.472 1.00 0.00 O ATOM 378 CB ARG A 28 -2.757 6.031 5.860 1.00 0.00 C ATOM 379 CG ARG A 28 -3.022 5.632 7.303 1.00 0.00 C ATOM 380 CD ARG A 28 -2.678 6.759 8.264 1.00 0.00 C ATOM 381 NE ARG A 28 -3.485 6.707 9.480 1.00 0.00 N ATOM 382 CZ ARG A 28 -3.245 5.873 10.486 1.00 0.00 C ATOM 383 NH1 ARG A 28 -2.226 5.027 10.421 1.00 0.00 N ATOM 384 NH2 ARG A 28 -4.025 5.884 11.560 1.00 0.00 N ATOM 0 H ARG A 28 -0.613 6.594 7.039 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.253 4.538 5.497 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.856 7.113 5.767 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.520 5.585 5.222 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.071 5.360 7.420 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.434 4.748 7.551 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.622 6.701 8.527 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.831 7.718 7.768 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.276 7.346 9.561 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.624 5.016 9.597 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.044 4.388 11.195 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.810 6.533 11.614 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.840 5.243 12.332 1.00 0.00 H new ATOM 398 N PHE A 29 -1.622 4.943 3.033 1.00 0.00 N ATOM 399 CA PHE A 29 -1.554 5.107 1.585 1.00 0.00 C ATOM 400 C PHE A 29 -2.493 6.215 1.119 1.00 0.00 C ATOM 401 O PHE A 29 -3.546 6.443 1.713 1.00 0.00 O ATOM 402 CB PHE A 29 -1.910 3.793 0.886 1.00 0.00 C ATOM 403 CG PHE A 29 -1.890 3.888 -0.613 1.00 0.00 C ATOM 404 CD1 PHE A 29 -0.737 4.266 -1.282 1.00 0.00 C ATOM 405 CD2 PHE A 29 -3.025 3.601 -1.354 1.00 0.00 C ATOM 406 CE1 PHE A 29 -0.715 4.354 -2.661 1.00 0.00 C ATOM 407 CE2 PHE A 29 -3.010 3.687 -2.733 1.00 0.00 C ATOM 408 CZ PHE A 29 -1.853 4.065 -3.387 1.00 0.00 C ATOM 0 H PHE A 29 -1.968 4.033 3.339 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.534 5.386 1.322 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.209 3.021 1.203 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.902 3.476 1.209 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.156 4.495 -0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.932 3.307 -0.848 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.191 4.648 -3.170 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.901 3.459 -3.299 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.839 4.134 -4.465 1.00 0.00 H new ATOM 418 N MET A 30 -2.102 6.903 0.051 1.00 0.00 N ATOM 419 CA MET A 30 -2.908 7.988 -0.497 1.00 0.00 C ATOM 420 C MET A 30 -2.904 7.952 -2.022 1.00 0.00 C ATOM 421 O MET A 30 -1.970 7.437 -2.637 1.00 0.00 O ATOM 422 CB MET A 30 -2.385 9.339 -0.005 1.00 0.00 C ATOM 423 CG MET A 30 -2.800 9.669 1.420 1.00 0.00 C ATOM 424 SD MET A 30 -2.629 11.422 1.805 1.00 0.00 S ATOM 425 CE MET A 30 -4.290 11.813 2.349 1.00 0.00 C ATOM 0 H MET A 30 -1.232 6.728 -0.452 1.00 0.00 H new ATOM 0 HA MET A 30 -3.933 7.856 -0.151 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.297 9.343 -0.068 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.746 10.123 -0.671 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.836 9.367 1.572 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.194 9.088 2.115 1.00 0.00 H new ATOM 0 HE1 MET A 30 -4.578 12.791 1.964 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.982 11.058 1.976 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.322 11.828 3.438 1.00 0.00 H new ATOM 435 N ILE A 31 -3.952 8.502 -2.625 1.00 0.00 N ATOM 436 CA ILE A 31 -4.068 8.534 -4.077 1.00 0.00 C ATOM 437 C ILE A 31 -4.852 9.757 -4.540 1.00 0.00 C ATOM 438 O ILE A 31 -5.676 10.295 -3.800 1.00 0.00 O ATOM 439 CB ILE A 31 -4.754 7.264 -4.615 1.00 0.00 C ATOM 440 CG1 ILE A 31 -6.252 7.298 -4.306 1.00 0.00 C ATOM 441 CG2 ILE A 31 -4.111 6.021 -4.017 1.00 0.00 C ATOM 442 CD1 ILE A 31 -6.571 7.094 -2.841 1.00 0.00 C ATOM 0 H ILE A 31 -4.733 8.932 -2.130 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.054 8.585 -4.473 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.626 7.230 -5.697 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.660 8.256 -4.628 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.753 6.526 -4.890 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.606 5.132 -4.407 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.054 5.994 -4.284 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.211 6.046 -2.932 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.651 7.130 -2.695 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.194 6.124 -2.518 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.099 7.881 -2.253 1.00 0.00 H new ATOM 454 N CYS A 32 -4.592 10.189 -5.769 1.00 0.00 N ATOM 455 CA CYS A 32 -5.275 11.349 -6.332 1.00 0.00 C ATOM 456 C CYS A 32 -6.435 10.917 -7.222 1.00 0.00 C ATOM 457 O CYS A 32 -6.240 10.227 -8.223 1.00 0.00 O ATOM 458 CB CYS A 32 -4.293 12.206 -7.132 1.00 0.00 C ATOM 459 SG CYS A 32 -4.929 13.841 -7.572 1.00 0.00 S ATOM 0 H CYS A 32 -3.914 9.754 -6.394 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.674 11.941 -5.508 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.378 12.328 -6.552 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.024 11.675 -8.045 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.026 14.491 -8.245 1.00 0.00 H new ATOM 465 N CYS A 33 -7.643 11.327 -6.851 1.00 0.00 N ATOM 466 CA CYS A 33 -8.837 10.981 -7.614 1.00 0.00 C ATOM 467 C CYS A 33 -8.916 11.800 -8.899 1.00 0.00 C ATOM 468 O CYS A 33 -8.166 12.759 -9.085 1.00 0.00 O ATOM 469 CB CYS A 33 -10.092 11.213 -6.771 1.00 0.00 C ATOM 470 SG CYS A 33 -11.579 10.372 -7.404 1.00 0.00 S ATOM 0 H CYS A 33 -7.821 11.900 -6.026 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.776 9.925 -7.879 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.901 10.873 -5.753 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.288 12.284 -6.718 1.00 0.00 H new ATOM 475 N ASP A 34 -9.830 11.416 -9.783 1.00 0.00 N ATOM 476 CA ASP A 34 -10.010 12.114 -11.051 1.00 0.00 C ATOM 477 C ASP A 34 -11.351 12.840 -11.086 1.00 0.00 C ATOM 478 O ASP A 34 -11.478 13.902 -11.696 1.00 0.00 O ATOM 479 CB ASP A 34 -9.917 11.130 -12.218 1.00 0.00 C ATOM 480 CG ASP A 34 -10.357 11.746 -13.531 1.00 0.00 C ATOM 481 OD1 ASP A 34 -11.581 11.845 -13.760 1.00 0.00 O ATOM 482 OD2 ASP A 34 -9.478 12.129 -14.331 1.00 0.00 O ATOM 0 H ASP A 34 -10.458 10.625 -9.645 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.215 12.853 -11.146 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.890 10.778 -12.311 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.535 10.258 -12.004 1.00 0.00 H new ATOM 487 N ARG A 35 -12.350 12.259 -10.430 1.00 0.00 N ATOM 488 CA ARG A 35 -13.682 12.849 -10.388 1.00 0.00 C ATOM 489 C ARG A 35 -13.712 14.060 -9.460 1.00 0.00 C ATOM 490 O ARG A 35 -14.096 15.157 -9.866 1.00 0.00 O ATOM 491 CB ARG A 35 -14.708 11.813 -9.924 1.00 0.00 C ATOM 492 CG ARG A 35 -15.261 10.956 -11.051 1.00 0.00 C ATOM 493 CD ARG A 35 -16.504 11.579 -11.666 1.00 0.00 C ATOM 494 NE ARG A 35 -16.652 11.228 -13.076 1.00 0.00 N ATOM 495 CZ ARG A 35 -16.061 11.891 -14.064 1.00 0.00 C ATOM 496 NH1 ARG A 35 -15.287 12.934 -13.797 1.00 0.00 N ATOM 497 NH2 ARG A 35 -16.244 11.512 -15.322 1.00 0.00 N ATOM 0 H ARG A 35 -12.262 11.380 -9.920 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.937 13.178 -11.395 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -14.246 11.165 -9.179 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -15.533 12.327 -9.431 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.499 10.828 -11.820 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -15.501 9.963 -10.671 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.385 11.249 -11.116 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.454 12.663 -11.566 1.00 0.00 H new ATOM 0 HE ARG A 35 -17.241 10.430 -13.315 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -15.144 13.229 -12.831 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.834 13.441 -14.557 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.839 10.711 -15.532 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -15.790 12.022 -16.080 1.00 0.00 H new ATOM 511 N CYS A 36 -13.304 13.853 -8.213 1.00 0.00 N ATOM 512 CA CYS A 36 -13.284 14.927 -7.226 1.00 0.00 C ATOM 513 C CYS A 36 -11.882 15.514 -7.090 1.00 0.00 C ATOM 514 O CYS A 36 -11.710 16.622 -6.583 1.00 0.00 O ATOM 515 CB CYS A 36 -13.767 14.410 -5.870 1.00 0.00 C ATOM 516 SG CYS A 36 -12.697 13.129 -5.139 1.00 0.00 S ATOM 0 H CYS A 36 -12.982 12.951 -7.861 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.956 15.714 -7.567 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -13.837 15.249 -5.177 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -14.773 14.006 -5.984 1.00 0.00 H new ATOM 521 N GLU A 37 -10.885 14.763 -7.546 1.00 0.00 N ATOM 522 CA GLU A 37 -9.499 15.210 -7.475 1.00 0.00 C ATOM 523 C GLU A 37 -9.116 15.567 -6.041 1.00 0.00 C ATOM 524 O GLU A 37 -8.651 16.674 -5.770 1.00 0.00 O ATOM 525 CB GLU A 37 -9.281 16.418 -8.388 1.00 0.00 C ATOM 526 CG GLU A 37 -9.571 16.134 -9.852 1.00 0.00 C ATOM 527 CD GLU A 37 -9.132 17.263 -10.764 1.00 0.00 C ATOM 528 OE1 GLU A 37 -9.936 18.192 -10.986 1.00 0.00 O ATOM 529 OE2 GLU A 37 -7.985 17.217 -11.256 1.00 0.00 O ATOM 0 H GLU A 37 -11.011 13.843 -7.968 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.863 14.391 -7.811 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.918 17.236 -8.052 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.249 16.756 -8.289 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.064 15.215 -10.147 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.640 15.963 -9.980 1.00 0.00 H new ATOM 536 N GLU A 38 -9.316 14.621 -5.128 1.00 0.00 N ATOM 537 CA GLU A 38 -8.993 14.837 -3.723 1.00 0.00 C ATOM 538 C GLU A 38 -8.035 13.764 -3.214 1.00 0.00 C ATOM 539 O GLU A 38 -7.874 12.715 -3.837 1.00 0.00 O ATOM 540 CB GLU A 38 -10.268 14.840 -2.878 1.00 0.00 C ATOM 541 CG GLU A 38 -10.891 16.217 -2.720 1.00 0.00 C ATOM 542 CD GLU A 38 -11.729 16.337 -1.462 1.00 0.00 C ATOM 543 OE1 GLU A 38 -12.569 15.444 -1.221 1.00 0.00 O ATOM 544 OE2 GLU A 38 -11.546 17.323 -0.718 1.00 0.00 O ATOM 0 H GLU A 38 -9.700 13.699 -5.336 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.505 15.808 -3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.997 14.171 -3.334 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.040 14.438 -1.891 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.102 16.969 -2.699 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.513 16.432 -3.589 1.00 0.00 H new ATOM 551 N TRP A 39 -7.401 14.035 -2.079 1.00 0.00 N ATOM 552 CA TRP A 39 -6.458 13.094 -1.486 1.00 0.00 C ATOM 553 C TRP A 39 -7.094 12.349 -0.317 1.00 0.00 C ATOM 554 O TRP A 39 -7.389 12.941 0.722 1.00 0.00 O ATOM 555 CB TRP A 39 -5.201 13.827 -1.016 1.00 0.00 C ATOM 556 CG TRP A 39 -4.311 14.261 -2.141 1.00 0.00 C ATOM 557 CD1 TRP A 39 -4.238 15.508 -2.693 1.00 0.00 C ATOM 558 CD2 TRP A 39 -3.370 13.449 -2.851 1.00 0.00 C ATOM 559 NE1 TRP A 39 -3.307 15.520 -3.705 1.00 0.00 N ATOM 560 CE2 TRP A 39 -2.761 14.270 -3.821 1.00 0.00 C ATOM 561 CE3 TRP A 39 -2.981 12.110 -2.762 1.00 0.00 C ATOM 562 CZ2 TRP A 39 -1.786 13.792 -4.693 1.00 0.00 C ATOM 563 CZ3 TRP A 39 -2.014 11.638 -3.628 1.00 0.00 C ATOM 564 CH2 TRP A 39 -1.425 12.477 -4.583 1.00 0.00 C ATOM 0 H TRP A 39 -7.523 14.899 -1.551 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.182 12.366 -2.249 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.495 14.702 -0.436 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.638 13.176 -0.347 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.825 16.359 -2.381 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.063 16.329 -4.276 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -3.429 11.455 -2.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.331 14.437 -5.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.707 10.604 -3.568 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -0.671 12.078 -5.245 1.00 0.00 H new ATOM 575 N PHE A 40 -7.303 11.049 -0.493 1.00 0.00 N ATOM 576 CA PHE A 40 -7.906 10.224 0.548 1.00 0.00 C ATOM 577 C PHE A 40 -6.967 9.093 0.957 1.00 0.00 C ATOM 578 O PHE A 40 -5.923 8.882 0.338 1.00 0.00 O ATOM 579 CB PHE A 40 -9.238 9.647 0.064 1.00 0.00 C ATOM 580 CG PHE A 40 -10.128 10.663 -0.592 1.00 0.00 C ATOM 581 CD1 PHE A 40 -10.887 11.534 0.171 1.00 0.00 C ATOM 582 CD2 PHE A 40 -10.206 10.745 -1.973 1.00 0.00 C ATOM 583 CE1 PHE A 40 -11.707 12.471 -0.429 1.00 0.00 C ATOM 584 CE2 PHE A 40 -11.024 11.680 -2.580 1.00 0.00 C ATOM 585 CZ PHE A 40 -11.777 12.543 -1.807 1.00 0.00 C ATOM 0 H PHE A 40 -7.064 10.544 -1.346 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.087 10.855 1.418 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -9.040 8.840 -0.641 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.764 9.208 0.912 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.838 11.481 1.249 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.621 10.071 -2.582 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -12.292 13.146 0.178 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -11.074 11.736 -3.657 1.00 0.00 H new ATOM 0 HZ PHE A 40 -12.419 13.272 -2.279 1.00 0.00 H new ATOM 595 N HIS A 41 -7.345 8.367 2.005 1.00 0.00 N ATOM 596 CA HIS A 41 -6.537 7.257 2.497 1.00 0.00 C ATOM 597 C HIS A 41 -7.019 5.933 1.912 1.00 0.00 C ATOM 598 O HIS A 41 -8.205 5.610 1.974 1.00 0.00 O ATOM 599 CB HIS A 41 -6.587 7.201 4.025 1.00 0.00 C ATOM 600 CG HIS A 41 -5.991 8.404 4.688 1.00 0.00 C ATOM 601 ND1 HIS A 41 -6.683 9.189 5.586 1.00 0.00 N ATOM 602 CD2 HIS A 41 -4.759 8.956 4.580 1.00 0.00 C ATOM 603 CE1 HIS A 41 -5.903 10.171 6.001 1.00 0.00 C ATOM 604 NE2 HIS A 41 -4.730 10.052 5.406 1.00 0.00 N ATOM 0 H HIS A 41 -8.205 8.528 2.529 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.507 7.421 2.180 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -7.625 7.098 4.343 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -6.059 6.310 4.365 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -3.950 8.600 3.959 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -6.178 10.941 6.707 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -3.932 10.673 5.539 1.00 0.00 H new ATOM 612 N GLY A 42 -6.091 5.170 1.343 1.00 0.00 N ATOM 613 CA GLY A 42 -6.441 3.890 0.754 1.00 0.00 C ATOM 614 C GLY A 42 -7.548 3.186 1.513 1.00 0.00 C ATOM 615 O GLY A 42 -8.642 2.988 0.986 1.00 0.00 O ATOM 0 H GLY A 42 -5.103 5.415 1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.753 4.042 -0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.558 3.251 0.730 1.00 0.00 H new ATOM 619 N ASP A 43 -7.263 2.806 2.754 1.00 0.00 N ATOM 620 CA ASP A 43 -8.242 2.119 3.587 1.00 0.00 C ATOM 621 C ASP A 43 -9.563 2.882 3.616 1.00 0.00 C ATOM 622 O ASP A 43 -10.629 2.309 3.392 1.00 0.00 O ATOM 623 CB ASP A 43 -7.705 1.950 5.009 1.00 0.00 C ATOM 624 CG ASP A 43 -8.539 0.988 5.833 1.00 0.00 C ATOM 625 OD1 ASP A 43 -9.756 0.883 5.571 1.00 0.00 O ATOM 626 OD2 ASP A 43 -7.974 0.339 6.737 1.00 0.00 O ATOM 0 H ASP A 43 -6.362 2.962 3.205 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.422 1.134 3.155 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.677 1.590 4.966 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.682 2.921 5.503 1.00 0.00 H new ATOM 631 N CYS A 44 -9.484 4.180 3.894 1.00 0.00 N ATOM 632 CA CYS A 44 -10.672 5.023 3.953 1.00 0.00 C ATOM 633 C CYS A 44 -11.540 4.829 2.714 1.00 0.00 C ATOM 634 O CYS A 44 -12.738 4.568 2.816 1.00 0.00 O ATOM 635 CB CYS A 44 -10.272 6.494 4.084 1.00 0.00 C ATOM 636 SG CYS A 44 -9.915 7.018 5.792 1.00 0.00 S ATOM 0 H CYS A 44 -8.609 4.670 4.082 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.251 4.731 4.829 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -9.392 6.676 3.468 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.074 7.115 3.685 1.00 0.00 H new ATOM 641 N VAL A 45 -10.925 4.957 1.542 1.00 0.00 N ATOM 642 CA VAL A 45 -11.641 4.795 0.282 1.00 0.00 C ATOM 643 C VAL A 45 -11.612 3.343 -0.183 1.00 0.00 C ATOM 644 O VAL A 45 -11.865 3.049 -1.351 1.00 0.00 O ATOM 645 CB VAL A 45 -11.044 5.688 -0.822 1.00 0.00 C ATOM 646 CG1 VAL A 45 -11.224 7.158 -0.475 1.00 0.00 C ATOM 647 CG2 VAL A 45 -9.574 5.359 -1.036 1.00 0.00 C ATOM 0 H VAL A 45 -9.933 5.172 1.439 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.673 5.095 0.463 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.576 5.491 -1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.796 7.774 -1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.286 7.381 -0.376 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.719 7.374 0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.168 5.999 -1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.025 5.527 -0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.474 4.315 -1.333 1.00 0.00 H new ATOM 657 N GLY A 46 -11.301 2.438 0.740 1.00 0.00 N ATOM 658 CA GLY A 46 -11.245 1.027 0.405 1.00 0.00 C ATOM 659 C GLY A 46 -9.929 0.635 -0.238 1.00 0.00 C ATOM 660 O GLY A 46 -9.301 -0.344 0.166 1.00 0.00 O ATOM 0 H GLY A 46 -11.087 2.657 1.713 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.394 0.436 1.309 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.063 0.785 -0.273 1.00 0.00 H new ATOM 664 N ILE A 47 -9.512 1.400 -1.241 1.00 0.00 N ATOM 665 CA ILE A 47 -8.263 1.126 -1.941 1.00 0.00 C ATOM 666 C ILE A 47 -7.190 0.633 -0.977 1.00 0.00 C ATOM 667 O ILE A 47 -7.131 1.061 0.175 1.00 0.00 O ATOM 668 CB ILE A 47 -7.743 2.377 -2.674 1.00 0.00 C ATOM 669 CG1 ILE A 47 -8.767 2.853 -3.706 1.00 0.00 C ATOM 670 CG2 ILE A 47 -6.408 2.084 -3.341 1.00 0.00 C ATOM 671 CD1 ILE A 47 -8.989 1.870 -4.835 1.00 0.00 C ATOM 0 H ILE A 47 -10.020 2.214 -1.587 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.476 0.347 -2.674 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.595 3.172 -1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.717 3.039 -3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.436 3.804 -4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.054 2.978 -3.855 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.681 1.788 -2.585 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.531 1.276 -4.062 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.727 2.273 -5.529 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.049 1.703 -5.362 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.351 0.925 -4.429 1.00 0.00 H new ATOM 683 N SER A 48 -6.341 -0.270 -1.458 1.00 0.00 N ATOM 684 CA SER A 48 -5.269 -0.825 -0.638 1.00 0.00 C ATOM 685 C SER A 48 -3.906 -0.538 -1.260 1.00 0.00 C ATOM 686 O SER A 48 -3.787 -0.383 -2.475 1.00 0.00 O ATOM 687 CB SER A 48 -5.458 -2.333 -0.467 1.00 0.00 C ATOM 688 OG SER A 48 -6.270 -2.621 0.658 1.00 0.00 O ATOM 0 H SER A 48 -6.374 -0.633 -2.411 1.00 0.00 H new ATOM 0 HA SER A 48 -5.309 -0.348 0.341 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.914 -2.750 -1.365 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.487 -2.814 -0.351 1.00 0.00 H new ATOM 0 HG SER A 48 -6.377 -3.591 0.744 1.00 0.00 H new ATOM 694 N GLU A 49 -2.880 -0.470 -0.417 1.00 0.00 N ATOM 695 CA GLU A 49 -1.525 -0.202 -0.884 1.00 0.00 C ATOM 696 C GLU A 49 -1.213 -1.009 -2.141 1.00 0.00 C ATOM 697 O GLU A 49 -0.619 -0.497 -3.089 1.00 0.00 O ATOM 698 CB GLU A 49 -0.510 -0.531 0.212 1.00 0.00 C ATOM 699 CG GLU A 49 0.726 0.353 0.183 1.00 0.00 C ATOM 700 CD GLU A 49 0.611 1.548 1.109 1.00 0.00 C ATOM 701 OE1 GLU A 49 -0.067 1.427 2.151 1.00 0.00 O ATOM 702 OE2 GLU A 49 1.198 2.603 0.793 1.00 0.00 O ATOM 0 H GLU A 49 -2.962 -0.597 0.592 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.455 0.858 -1.127 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.993 -0.433 1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.204 -1.572 0.111 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.597 -0.238 0.465 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.894 0.702 -0.836 1.00 0.00 H new ATOM 709 N ALA A 50 -1.617 -2.275 -2.139 1.00 0.00 N ATOM 710 CA ALA A 50 -1.382 -3.153 -3.279 1.00 0.00 C ATOM 711 C ALA A 50 -2.114 -2.652 -4.519 1.00 0.00 C ATOM 712 O ALA A 50 -1.549 -2.616 -5.612 1.00 0.00 O ATOM 713 CB ALA A 50 -1.814 -4.574 -2.948 1.00 0.00 C ATOM 0 H ALA A 50 -2.108 -2.715 -1.361 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.313 -3.149 -3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.633 -5.219 -3.808 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.243 -4.938 -2.094 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.876 -4.584 -2.704 1.00 0.00 H new ATOM 719 N ARG A 51 -3.373 -2.265 -4.341 1.00 0.00 N ATOM 720 CA ARG A 51 -4.183 -1.767 -5.447 1.00 0.00 C ATOM 721 C ARG A 51 -3.597 -0.476 -6.010 1.00 0.00 C ATOM 722 O ARG A 51 -3.178 -0.424 -7.166 1.00 0.00 O ATOM 723 CB ARG A 51 -5.622 -1.530 -4.986 1.00 0.00 C ATOM 724 CG ARG A 51 -6.547 -2.706 -5.249 1.00 0.00 C ATOM 725 CD ARG A 51 -6.986 -2.756 -6.704 1.00 0.00 C ATOM 726 NE ARG A 51 -5.976 -3.374 -7.559 1.00 0.00 N ATOM 727 CZ ARG A 51 -6.028 -3.358 -8.887 1.00 0.00 C ATOM 728 NH1 ARG A 51 -7.036 -2.760 -9.507 1.00 0.00 N ATOM 729 NH2 ARG A 51 -5.071 -3.942 -9.596 1.00 0.00 N ATOM 0 H ARG A 51 -3.854 -2.287 -3.442 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.181 -2.520 -6.235 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.621 -1.311 -3.918 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.016 -0.648 -5.492 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.039 -3.635 -4.989 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.424 -2.631 -4.606 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.919 -3.315 -6.782 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.190 -1.745 -7.056 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.188 -3.843 -7.113 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.774 -2.311 -8.965 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.073 -2.749 -10.526 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.295 -4.404 -9.122 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.111 -3.929 -10.615 1.00 0.00 H new ATOM 743 N GLY A 52 -3.573 0.567 -5.185 1.00 0.00 N ATOM 744 CA GLY A 52 -3.038 1.844 -5.619 1.00 0.00 C ATOM 745 C GLY A 52 -1.682 1.710 -6.283 1.00 0.00 C ATOM 746 O GLY A 52 -1.439 2.298 -7.336 1.00 0.00 O ATOM 0 H GLY A 52 -3.915 0.550 -4.224 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.736 2.309 -6.316 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.954 2.510 -4.760 1.00 0.00 H new ATOM 750 N ARG A 53 -0.797 0.935 -5.665 1.00 0.00 N ATOM 751 CA ARG A 53 0.543 0.728 -6.201 1.00 0.00 C ATOM 752 C ARG A 53 0.487 0.382 -7.686 1.00 0.00 C ATOM 753 O ARG A 53 1.284 0.881 -8.482 1.00 0.00 O ATOM 754 CB ARG A 53 1.256 -0.387 -5.433 1.00 0.00 C ATOM 755 CG ARG A 53 2.048 0.110 -4.235 1.00 0.00 C ATOM 756 CD ARG A 53 3.366 0.739 -4.660 1.00 0.00 C ATOM 757 NE ARG A 53 4.291 0.883 -3.539 1.00 0.00 N ATOM 758 CZ ARG A 53 5.044 -0.109 -3.076 1.00 0.00 C ATOM 759 NH1 ARG A 53 4.981 -1.310 -3.635 1.00 0.00 N ATOM 760 NH2 ARG A 53 5.862 0.099 -2.052 1.00 0.00 N ATOM 0 H ARG A 53 -0.984 0.440 -4.793 1.00 0.00 H new ATOM 0 HA ARG A 53 1.102 1.656 -6.083 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.517 -1.113 -5.094 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.929 -0.911 -6.111 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.456 0.841 -3.684 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.242 -0.720 -3.556 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.827 0.126 -5.434 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.175 1.718 -5.100 1.00 0.00 H new ATOM 0 HE ARG A 53 4.363 1.795 -3.087 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.353 -1.474 -4.422 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.560 -2.070 -3.278 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.913 1.021 -1.619 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.439 -0.663 -1.698 1.00 0.00 H new ATOM 774 N LEU A 54 -0.459 -0.476 -8.053 1.00 0.00 N ATOM 775 CA LEU A 54 -0.620 -0.890 -9.442 1.00 0.00 C ATOM 776 C LEU A 54 -1.421 0.143 -10.229 1.00 0.00 C ATOM 777 O LEU A 54 -0.979 0.622 -11.274 1.00 0.00 O ATOM 778 CB LEU A 54 -1.314 -2.251 -9.512 1.00 0.00 C ATOM 779 CG LEU A 54 -0.436 -3.468 -9.213 1.00 0.00 C ATOM 780 CD1 LEU A 54 -1.292 -4.654 -8.798 1.00 0.00 C ATOM 781 CD2 LEU A 54 0.417 -3.820 -10.423 1.00 0.00 C ATOM 0 H LEU A 54 -1.126 -0.898 -7.407 1.00 0.00 H new ATOM 0 HA LEU A 54 0.371 -0.971 -9.888 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.148 -2.248 -8.810 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.738 -2.370 -10.509 1.00 0.00 H new ATOM 0 HG LEU A 54 0.228 -3.219 -8.386 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.651 -5.510 -8.589 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.859 -4.398 -7.903 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.981 -4.905 -9.604 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.035 -4.688 -10.192 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.230 -4.050 -11.270 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.058 -2.975 -10.675 1.00 0.00 H new ATOM 793 N LEU A 55 -2.600 0.483 -9.719 1.00 0.00 N ATOM 794 CA LEU A 55 -3.462 1.461 -10.372 1.00 0.00 C ATOM 795 C LEU A 55 -2.640 2.596 -10.975 1.00 0.00 C ATOM 796 O LEU A 55 -3.052 3.222 -11.951 1.00 0.00 O ATOM 797 CB LEU A 55 -4.475 2.025 -9.374 1.00 0.00 C ATOM 798 CG LEU A 55 -5.473 1.023 -8.793 1.00 0.00 C ATOM 799 CD1 LEU A 55 -6.324 1.680 -7.717 1.00 0.00 C ATOM 800 CD2 LEU A 55 -6.352 0.446 -9.893 1.00 0.00 C ATOM 0 H LEU A 55 -2.980 0.096 -8.855 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.996 0.956 -11.177 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.927 2.482 -8.550 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.034 2.821 -9.865 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.914 0.206 -8.337 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.028 0.952 -7.315 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.681 2.043 -6.916 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.874 2.517 -8.148 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.056 -0.265 -9.461 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.902 1.252 -10.379 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.728 -0.062 -10.628 1.00 0.00 H new ATOM 812 N GLU A 56 -1.475 2.852 -10.389 1.00 0.00 N ATOM 813 CA GLU A 56 -0.594 3.910 -10.870 1.00 0.00 C ATOM 814 C GLU A 56 0.196 3.447 -12.091 1.00 0.00 C ATOM 815 O GLU A 56 -0.032 3.917 -13.206 1.00 0.00 O ATOM 816 CB GLU A 56 0.366 4.347 -9.763 1.00 0.00 C ATOM 817 CG GLU A 56 -0.165 5.489 -8.912 1.00 0.00 C ATOM 818 CD GLU A 56 0.836 5.956 -7.873 1.00 0.00 C ATOM 819 OE1 GLU A 56 1.554 5.100 -7.315 1.00 0.00 O ATOM 820 OE2 GLU A 56 0.899 7.177 -7.616 1.00 0.00 O ATOM 0 H GLU A 56 -1.119 2.342 -9.581 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.213 4.759 -11.160 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.577 3.493 -9.119 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.312 4.649 -10.212 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.430 6.326 -9.558 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.080 5.170 -8.412 1.00 0.00 H new ATOM 827 N ARG A 57 1.126 2.523 -11.871 1.00 0.00 N ATOM 828 CA ARG A 57 1.952 1.998 -12.951 1.00 0.00 C ATOM 829 C ARG A 57 1.085 1.459 -14.085 1.00 0.00 C ATOM 830 O ARG A 57 1.304 1.780 -15.253 1.00 0.00 O ATOM 831 CB ARG A 57 2.870 0.892 -12.428 1.00 0.00 C ATOM 832 CG ARG A 57 2.150 -0.154 -11.593 1.00 0.00 C ATOM 833 CD ARG A 57 3.120 -1.179 -11.027 1.00 0.00 C ATOM 834 NE ARG A 57 3.590 -2.110 -12.050 1.00 0.00 N ATOM 835 CZ ARG A 57 4.218 -3.248 -11.775 1.00 0.00 C ATOM 836 NH1 ARG A 57 4.450 -3.594 -10.516 1.00 0.00 N ATOM 837 NH2 ARG A 57 4.616 -4.043 -12.760 1.00 0.00 N ATOM 0 H ARG A 57 1.326 2.123 -10.954 1.00 0.00 H new ATOM 0 HA ARG A 57 2.562 2.814 -13.338 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.351 0.401 -13.274 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.661 1.342 -11.828 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.617 0.334 -10.777 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.402 -0.658 -12.205 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.973 -0.665 -10.585 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.633 -1.736 -10.226 1.00 0.00 H new ATOM 0 HE ARG A 57 3.427 -1.873 -13.029 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.146 -2.986 -9.756 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.932 -4.468 -10.308 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.440 -3.781 -13.730 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.098 -4.916 -12.547 1.00 0.00 H new ATOM 851 N ASN A 58 0.100 0.639 -13.733 1.00 0.00 N ATOM 852 CA ASN A 58 -0.799 0.056 -14.721 1.00 0.00 C ATOM 853 C ASN A 58 -1.411 1.137 -15.606 1.00 0.00 C ATOM 854 O ASN A 58 -1.418 1.021 -16.831 1.00 0.00 O ATOM 855 CB ASN A 58 -1.908 -0.738 -14.027 1.00 0.00 C ATOM 856 CG ASN A 58 -1.373 -1.937 -13.268 1.00 0.00 C ATOM 857 OD1 ASN A 58 -0.459 -1.812 -12.453 1.00 0.00 O ATOM 858 ND2 ASN A 58 -1.942 -3.107 -13.533 1.00 0.00 N ATOM 0 H ASN A 58 -0.095 0.364 -12.771 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.218 -0.618 -15.350 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.442 -0.084 -13.338 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.630 -1.075 -14.771 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.624 -3.949 -13.053 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.697 -3.164 -14.216 1.00 0.00 H new ATOM 865 N GLY A 59 -1.922 2.191 -14.977 1.00 0.00 N ATOM 866 CA GLY A 59 -2.528 3.278 -15.723 1.00 0.00 C ATOM 867 C GLY A 59 -4.042 3.255 -15.655 1.00 0.00 C ATOM 868 O GLY A 59 -4.718 3.604 -16.622 1.00 0.00 O ATOM 0 H GLY A 59 -1.927 2.311 -13.964 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.164 4.229 -15.333 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.213 3.219 -16.765 1.00 0.00 H new ATOM 872 N GLU A 60 -4.576 2.840 -14.510 1.00 0.00 N ATOM 873 CA GLU A 60 -6.020 2.770 -14.323 1.00 0.00 C ATOM 874 C GLU A 60 -6.532 3.998 -13.575 1.00 0.00 C ATOM 875 O GLU A 60 -6.099 4.283 -12.458 1.00 0.00 O ATOM 876 CB GLU A 60 -6.396 1.500 -13.557 1.00 0.00 C ATOM 877 CG GLU A 60 -6.541 0.275 -14.443 1.00 0.00 C ATOM 878 CD GLU A 60 -7.894 0.203 -15.124 1.00 0.00 C ATOM 879 OE1 GLU A 60 -8.377 1.253 -15.596 1.00 0.00 O ATOM 880 OE2 GLU A 60 -8.469 -0.904 -15.185 1.00 0.00 O ATOM 0 H GLU A 60 -4.031 2.548 -13.699 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.487 2.744 -15.307 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.636 1.303 -12.801 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.334 1.669 -13.029 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.757 0.285 -15.201 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.393 -0.622 -13.842 1.00 0.00 H new ATOM 887 N ASP A 61 -7.454 4.721 -14.200 1.00 0.00 N ATOM 888 CA ASP A 61 -8.026 5.919 -13.595 1.00 0.00 C ATOM 889 C ASP A 61 -8.806 5.570 -12.331 1.00 0.00 C ATOM 890 O ASP A 61 -9.966 5.162 -12.397 1.00 0.00 O ATOM 891 CB ASP A 61 -8.940 6.633 -14.592 1.00 0.00 C ATOM 892 CG ASP A 61 -10.183 5.828 -14.917 1.00 0.00 C ATOM 893 OD1 ASP A 61 -10.043 4.635 -15.262 1.00 0.00 O ATOM 894 OD2 ASP A 61 -11.295 6.390 -14.829 1.00 0.00 O ATOM 0 H ASP A 61 -7.822 4.499 -15.125 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.207 6.585 -13.323 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.233 7.600 -14.183 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.387 6.830 -15.511 1.00 0.00 H new ATOM 899 N TYR A 62 -8.160 5.731 -11.181 1.00 0.00 N ATOM 900 CA TYR A 62 -8.792 5.429 -9.901 1.00 0.00 C ATOM 901 C TYR A 62 -9.951 6.383 -9.628 1.00 0.00 C ATOM 902 O TYR A 62 -9.834 7.593 -9.826 1.00 0.00 O ATOM 903 CB TYR A 62 -7.766 5.517 -8.770 1.00 0.00 C ATOM 904 CG TYR A 62 -8.356 5.964 -7.451 1.00 0.00 C ATOM 905 CD1 TYR A 62 -9.094 5.087 -6.665 1.00 0.00 C ATOM 906 CD2 TYR A 62 -8.178 7.263 -6.992 1.00 0.00 C ATOM 907 CE1 TYR A 62 -9.635 5.491 -5.460 1.00 0.00 C ATOM 908 CE2 TYR A 62 -8.714 7.675 -5.788 1.00 0.00 C ATOM 909 CZ TYR A 62 -9.443 6.786 -5.026 1.00 0.00 C ATOM 910 OH TYR A 62 -9.980 7.193 -3.826 1.00 0.00 O ATOM 0 H TYR A 62 -7.200 6.069 -11.109 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.185 4.413 -9.948 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -7.299 4.541 -8.638 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.977 6.211 -9.060 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -9.247 4.072 -7.002 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.610 7.963 -7.587 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -10.205 4.797 -4.861 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -8.563 8.688 -5.445 1.00 0.00 H new ATOM 0 HH TYR A 62 -9.752 8.133 -3.667 1.00 0.00 H new ATOM 920 N ILE A 63 -11.069 5.829 -9.170 1.00 0.00 N ATOM 921 CA ILE A 63 -12.248 6.629 -8.867 1.00 0.00 C ATOM 922 C ILE A 63 -12.756 6.349 -7.457 1.00 0.00 C ATOM 923 O ILE A 63 -13.534 5.420 -7.238 1.00 0.00 O ATOM 924 CB ILE A 63 -13.384 6.360 -9.872 1.00 0.00 C ATOM 925 CG1 ILE A 63 -12.906 6.629 -11.300 1.00 0.00 C ATOM 926 CG2 ILE A 63 -14.597 7.219 -9.543 1.00 0.00 C ATOM 927 CD1 ILE A 63 -12.649 8.093 -11.586 1.00 0.00 C ATOM 0 H ILE A 63 -11.182 4.830 -9.001 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.947 7.674 -8.941 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.674 5.312 -9.798 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -11.990 6.066 -11.480 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.653 6.256 -12.001 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.391 7.018 -10.262 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -14.948 6.983 -8.539 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.321 8.272 -9.593 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.313 8.209 -12.616 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.568 8.659 -11.438 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -11.880 8.466 -10.910 1.00 0.00 H new ATOM 939 N CYS A 64 -12.311 7.159 -6.502 1.00 0.00 N ATOM 940 CA CYS A 64 -12.720 7.000 -5.112 1.00 0.00 C ATOM 941 C CYS A 64 -14.208 6.674 -5.016 1.00 0.00 C ATOM 942 O CYS A 64 -14.992 6.965 -5.920 1.00 0.00 O ATOM 943 CB CYS A 64 -12.413 8.273 -4.320 1.00 0.00 C ATOM 944 SG CYS A 64 -13.796 9.457 -4.250 1.00 0.00 S ATOM 0 H CYS A 64 -11.667 7.933 -6.666 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.157 6.170 -4.686 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -12.133 7.997 -3.303 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -11.549 8.766 -4.766 1.00 0.00 H new ATOM 949 N PRO A 65 -14.607 6.056 -3.895 1.00 0.00 N ATOM 950 CA PRO A 65 -16.002 5.678 -3.653 1.00 0.00 C ATOM 951 C PRO A 65 -16.900 6.889 -3.422 1.00 0.00 C ATOM 952 O PRO A 65 -17.930 7.044 -4.076 1.00 0.00 O ATOM 953 CB PRO A 65 -15.924 4.821 -2.388 1.00 0.00 C ATOM 954 CG PRO A 65 -14.691 5.285 -1.692 1.00 0.00 C ATOM 955 CD PRO A 65 -13.727 5.679 -2.776 1.00 0.00 C ATOM 0 HA PRO A 65 -16.437 5.161 -4.508 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.806 4.957 -1.763 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.866 3.760 -2.631 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.907 6.129 -1.036 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.274 4.495 -1.068 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.092 6.509 -2.467 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.066 4.855 -3.045 1.00 0.00 H new ATOM 963 N ASN A 66 -16.501 7.745 -2.487 1.00 0.00 N ATOM 964 CA ASN A 66 -17.269 8.943 -2.169 1.00 0.00 C ATOM 965 C ASN A 66 -17.817 9.590 -3.438 1.00 0.00 C ATOM 966 O ASN A 66 -18.881 10.210 -3.422 1.00 0.00 O ATOM 967 CB ASN A 66 -16.400 9.945 -1.407 1.00 0.00 C ATOM 968 CG ASN A 66 -17.090 11.282 -1.217 1.00 0.00 C ATOM 969 OD1 ASN A 66 -17.491 11.929 -2.185 1.00 0.00 O ATOM 970 ND2 ASN A 66 -17.230 11.703 0.035 1.00 0.00 N ATOM 0 H ASN A 66 -15.650 7.631 -1.936 1.00 0.00 H new ATOM 0 HA ASN A 66 -18.109 8.649 -1.540 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -16.142 9.531 -0.432 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.465 10.095 -1.947 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -17.685 12.596 0.225 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -16.882 11.134 0.806 1.00 0.00 H new ATOM 977 N CYS A 67 -17.084 9.440 -4.536 1.00 0.00 N ATOM 978 CA CYS A 67 -17.495 10.009 -5.813 1.00 0.00 C ATOM 979 C CYS A 67 -18.653 9.217 -6.414 1.00 0.00 C ATOM 980 O CYS A 67 -19.772 9.719 -6.526 1.00 0.00 O ATOM 981 CB CYS A 67 -16.316 10.030 -6.789 1.00 0.00 C ATOM 982 SG CYS A 67 -15.341 11.568 -6.744 1.00 0.00 S ATOM 0 H CYS A 67 -16.202 8.929 -4.567 1.00 0.00 H new ATOM 0 HA CYS A 67 -17.830 11.031 -5.636 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -15.659 9.189 -6.566 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -16.693 9.881 -7.801 1.00 0.00 H new ATOM 987 N THR A 68 -18.376 7.975 -6.800 1.00 0.00 N ATOM 988 CA THR A 68 -19.392 7.114 -7.390 1.00 0.00 C ATOM 989 C THR A 68 -20.611 7.000 -6.482 1.00 0.00 C ATOM 990 O THR A 68 -21.749 7.129 -6.935 1.00 0.00 O ATOM 991 CB THR A 68 -18.840 5.703 -7.669 1.00 0.00 C ATOM 992 OG1 THR A 68 -17.619 5.792 -8.410 1.00 0.00 O ATOM 993 CG2 THR A 68 -19.850 4.870 -8.444 1.00 0.00 C ATOM 0 H THR A 68 -17.456 7.544 -6.714 1.00 0.00 H new ATOM 0 HA THR A 68 -19.687 7.574 -8.333 1.00 0.00 H new ATOM 0 HB THR A 68 -18.649 5.216 -6.713 1.00 0.00 H new ATOM 0 HG1 THR A 68 -17.274 4.891 -8.582 1.00 0.00 H new ATOM 0 HG21 THR A 68 -19.438 3.878 -8.629 1.00 0.00 H new ATOM 0 HG22 THR A 68 -20.768 4.779 -7.864 1.00 0.00 H new ATOM 0 HG23 THR A 68 -20.069 5.355 -9.395 1.00 0.00 H new ATOM 1001 N ILE A 69 -20.367 6.758 -5.199 1.00 0.00 N ATOM 1002 CA ILE A 69 -21.445 6.629 -4.227 1.00 0.00 C ATOM 1003 C ILE A 69 -22.498 7.714 -4.427 1.00 0.00 C ATOM 1004 O ILE A 69 -23.696 7.467 -4.283 1.00 0.00 O ATOM 1005 CB ILE A 69 -20.914 6.705 -2.783 1.00 0.00 C ATOM 1006 CG1 ILE A 69 -19.957 5.544 -2.507 1.00 0.00 C ATOM 1007 CG2 ILE A 69 -22.069 6.692 -1.793 1.00 0.00 C ATOM 1008 CD1 ILE A 69 -19.083 5.757 -1.291 1.00 0.00 C ATOM 0 H ILE A 69 -19.431 6.647 -4.808 1.00 0.00 H new ATOM 0 HA ILE A 69 -21.899 5.651 -4.387 1.00 0.00 H new ATOM 0 HB ILE A 69 -20.367 7.640 -2.661 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -20.536 4.631 -2.372 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.321 5.393 -3.379 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -21.678 6.746 -0.777 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -22.717 7.549 -1.979 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -22.641 5.772 -1.913 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -18.430 4.894 -1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -18.477 6.652 -1.431 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -19.711 5.878 -0.408 1.00 0.00 H new ATOM 1020 N LEU A 70 -22.043 8.917 -4.760 1.00 0.00 N ATOM 1021 CA LEU A 70 -22.946 10.042 -4.982 1.00 0.00 C ATOM 1022 C LEU A 70 -23.400 10.096 -6.438 1.00 0.00 C ATOM 1023 O LEU A 70 -24.582 9.930 -6.736 1.00 0.00 O ATOM 1024 CB LEU A 70 -22.261 11.355 -4.600 1.00 0.00 C ATOM 1025 CG LEU A 70 -21.716 11.437 -3.174 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -20.852 12.676 -3.003 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -22.857 11.437 -2.166 1.00 0.00 C ATOM 0 H LEU A 70 -21.055 9.139 -4.882 1.00 0.00 H new ATOM 0 HA LEU A 70 -23.824 9.901 -4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -21.437 11.527 -5.293 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -22.973 12.168 -4.743 1.00 0.00 H new ATOM 0 HG LEU A 70 -21.096 10.559 -2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -20.473 12.717 -1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -20.014 12.634 -3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -21.448 13.566 -3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -22.451 11.496 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -23.503 12.296 -2.348 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -23.436 10.519 -2.271 1.00 0.00 H new ATOM 1039 N SER A 71 -22.451 10.328 -7.339 1.00 0.00 N ATOM 1040 CA SER A 71 -22.753 10.407 -8.764 1.00 0.00 C ATOM 1041 C SER A 71 -22.214 9.185 -9.501 1.00 0.00 C ATOM 1042 O SER A 71 -21.004 8.979 -9.583 1.00 0.00 O ATOM 1043 CB SER A 71 -22.158 11.682 -9.364 1.00 0.00 C ATOM 1044 OG SER A 71 -20.743 11.662 -9.303 1.00 0.00 O ATOM 0 H SER A 71 -21.467 10.465 -7.108 1.00 0.00 H new ATOM 0 HA SER A 71 -23.837 10.432 -8.880 1.00 0.00 H new ATOM 0 HB2 SER A 71 -22.479 11.784 -10.401 1.00 0.00 H new ATOM 0 HB3 SER A 71 -22.536 12.551 -8.826 1.00 0.00 H new ATOM 0 HG SER A 71 -20.431 10.734 -9.251 1.00 0.00 H new ATOM 1050 N GLY A 72 -23.123 8.376 -10.038 1.00 0.00 N ATOM 1051 CA GLY A 72 -22.720 7.184 -10.762 1.00 0.00 C ATOM 1052 C GLY A 72 -23.859 6.576 -11.555 1.00 0.00 C ATOM 1053 O GLY A 72 -24.710 7.279 -12.101 1.00 0.00 O ATOM 0 H GLY A 72 -24.131 8.525 -9.985 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -21.902 7.432 -11.438 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -22.337 6.446 -10.057 1.00 0.00 H new ATOM 1057 N PRO A 73 -23.885 5.237 -11.630 1.00 0.00 N ATOM 1058 CA PRO A 73 -24.922 4.504 -12.362 1.00 0.00 C ATOM 1059 C PRO A 73 -26.283 4.590 -11.680 1.00 0.00 C ATOM 1060 O PRO A 73 -27.265 4.021 -12.158 1.00 0.00 O ATOM 1061 CB PRO A 73 -24.410 3.062 -12.355 1.00 0.00 C ATOM 1062 CG PRO A 73 -23.533 2.977 -11.153 1.00 0.00 C ATOM 1063 CD PRO A 73 -22.903 4.335 -11.005 1.00 0.00 C ATOM 0 HA PRO A 73 -25.079 4.909 -13.362 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -25.233 2.350 -12.296 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -23.856 2.834 -13.266 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -24.110 2.716 -10.266 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -22.773 2.205 -11.278 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -22.735 4.588 -9.958 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -21.936 4.386 -11.505 1.00 0.00 H new ATOM 1071 N SER A 74 -26.335 5.305 -10.561 1.00 0.00 N ATOM 1072 CA SER A 74 -27.576 5.462 -9.811 1.00 0.00 C ATOM 1073 C SER A 74 -28.642 6.145 -10.662 1.00 0.00 C ATOM 1074 O SER A 74 -28.334 6.992 -11.501 1.00 0.00 O ATOM 1075 CB SER A 74 -27.328 6.273 -8.537 1.00 0.00 C ATOM 1076 OG SER A 74 -26.432 5.598 -7.670 1.00 0.00 O ATOM 0 H SER A 74 -25.532 5.785 -10.154 1.00 0.00 H new ATOM 0 HA SER A 74 -27.934 4.470 -9.538 1.00 0.00 H new ATOM 0 HB2 SER A 74 -26.921 7.250 -8.797 1.00 0.00 H new ATOM 0 HB3 SER A 74 -28.273 6.448 -8.024 1.00 0.00 H new ATOM 0 HG SER A 74 -26.288 6.137 -6.864 1.00 0.00 H new ATOM 1082 N SER A 75 -29.897 5.769 -10.440 1.00 0.00 N ATOM 1083 CA SER A 75 -31.010 6.341 -11.189 1.00 0.00 C ATOM 1084 C SER A 75 -31.751 7.380 -10.352 1.00 0.00 C ATOM 1085 O SER A 75 -31.813 7.278 -9.128 1.00 0.00 O ATOM 1086 CB SER A 75 -31.977 5.240 -11.628 1.00 0.00 C ATOM 1087 OG SER A 75 -32.589 4.622 -10.508 1.00 0.00 O ATOM 0 H SER A 75 -30.169 5.071 -9.748 1.00 0.00 H new ATOM 0 HA SER A 75 -30.605 6.833 -12.073 1.00 0.00 H new ATOM 0 HB2 SER A 75 -32.743 5.663 -12.278 1.00 0.00 H new ATOM 0 HB3 SER A 75 -31.441 4.492 -12.212 1.00 0.00 H new ATOM 0 HG SER A 75 -33.204 3.923 -10.815 1.00 0.00 H new ATOM 1093 N GLY A 76 -32.311 8.381 -11.024 1.00 0.00 N ATOM 1094 CA GLY A 76 -33.040 9.425 -10.327 1.00 0.00 C ATOM 1095 C GLY A 76 -34.268 8.897 -9.612 1.00 0.00 C ATOM 1096 O GLY A 76 -35.376 9.069 -10.118 1.00 0.00 O ATOM 0 H GLY A 76 -32.273 8.488 -12.038 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -32.380 9.904 -9.604 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -33.341 10.192 -11.041 1.00 0.00 H new TER 1100 GLY A 76 HETATM 1101 ZN ZN A 201 -9.026 9.183 5.731 1.00 0.00 ZN HETATM 1102 ZN ZN A 401 -13.246 10.999 -5.903 1.00 0.00 ZN