USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 678 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 1 GLY N :NH3+ -132:sc= 0.0736 (180deg=0) USER MOD Single : A 2 SER OG : rot 14:sc=0.000306 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 64:sc= 1.06 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0121 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.335 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.74) USER MOD Single : A 25 ASN : amide:sc= -1.63 K(o=-1.6,f=-0.92) USER MOD Single : A 27 ASN : amide:sc= -0.227 K(o=-0.23,f=-1.8!) USER MOD Single : A 30 GLN : amide:sc= -0.932 K(o=-0.93,f=-0.2) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -145:sc= -2.8! (180deg=-5.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 23:sc= -0.595 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 61 ASN : amide:sc= -1.81 K(o=-1.8,f=-18!) USER MOD Single : A 64 THR OG1 : rot -132:sc= 0.316 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 30:sc= -0.265 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 83 SER OG : rot 27:sc= 0.93 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.213 2.471 9.493 1.00 0.00 N ATOM 2 CA GLY A 1 -15.013 1.657 9.393 1.00 0.00 C ATOM 3 C GLY A 1 -13.759 2.499 9.633 1.00 0.00 C ATOM 4 O GLY A 1 -13.821 3.542 10.282 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.907 1.993 10.102 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.972 3.396 9.903 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.620 2.607 8.546 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.057 0.847 10.121 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.963 1.196 8.406 1.00 0.00 H new ATOM 8 N SER A 2 -12.648 2.015 9.095 1.00 0.00 N ATOM 9 CA SER A 2 -11.381 2.710 9.242 1.00 0.00 C ATOM 10 C SER A 2 -10.595 2.648 7.932 1.00 0.00 C ATOM 11 O SER A 2 -10.206 3.680 7.387 1.00 0.00 O ATOM 12 CB SER A 2 -10.556 2.115 10.385 1.00 0.00 C ATOM 13 OG SER A 2 -11.007 2.565 11.660 1.00 0.00 O ATOM 0 H SER A 2 -12.600 1.150 8.557 1.00 0.00 H new ATOM 0 HA SER A 2 -11.589 3.752 9.484 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.612 1.027 10.344 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.508 2.386 10.255 1.00 0.00 H new ATOM 0 HG SER A 2 -11.884 2.991 11.565 1.00 0.00 H new ATOM 19 N SER A 3 -10.383 1.427 7.463 1.00 0.00 N ATOM 20 CA SER A 3 -9.650 1.217 6.226 1.00 0.00 C ATOM 21 C SER A 3 -10.391 1.874 5.060 1.00 0.00 C ATOM 22 O SER A 3 -9.853 2.759 4.397 1.00 0.00 O ATOM 23 CB SER A 3 -9.447 -0.275 5.953 1.00 0.00 C ATOM 24 OG SER A 3 -8.241 -0.765 6.533 1.00 0.00 O ATOM 0 H SER A 3 -10.706 0.573 7.917 1.00 0.00 H new ATOM 0 HA SER A 3 -8.667 1.677 6.329 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.294 -0.835 6.350 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.428 -0.447 4.877 1.00 0.00 H new ATOM 0 HG SER A 3 -8.149 -1.721 6.338 1.00 0.00 H new ATOM 30 N GLY A 4 -11.616 1.415 4.845 1.00 0.00 N ATOM 31 CA GLY A 4 -12.436 1.947 3.771 1.00 0.00 C ATOM 32 C GLY A 4 -12.673 3.447 3.953 1.00 0.00 C ATOM 33 O GLY A 4 -12.273 4.250 3.112 1.00 0.00 O ATOM 0 H GLY A 4 -12.060 0.681 5.397 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.949 1.766 2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.392 1.425 3.746 1.00 0.00 H new ATOM 37 N SER A 5 -13.324 3.781 5.059 1.00 0.00 N ATOM 38 CA SER A 5 -13.619 5.171 5.363 1.00 0.00 C ATOM 39 C SER A 5 -12.404 6.045 5.046 1.00 0.00 C ATOM 40 O SER A 5 -12.531 7.076 4.388 1.00 0.00 O ATOM 41 CB SER A 5 -14.027 5.340 6.827 1.00 0.00 C ATOM 42 OG SER A 5 -15.256 6.049 6.961 1.00 0.00 O ATOM 0 H SER A 5 -13.655 3.113 5.755 1.00 0.00 H new ATOM 0 HA SER A 5 -14.457 5.486 4.742 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.122 4.359 7.292 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.241 5.872 7.363 1.00 0.00 H new ATOM 0 HG SER A 5 -15.483 6.134 7.911 1.00 0.00 H new ATOM 48 N SER A 6 -11.253 5.601 5.530 1.00 0.00 N ATOM 49 CA SER A 6 -10.016 6.330 5.307 1.00 0.00 C ATOM 50 C SER A 6 -9.836 6.611 3.813 1.00 0.00 C ATOM 51 O SER A 6 -9.679 7.761 3.408 1.00 0.00 O ATOM 52 CB SER A 6 -8.814 5.556 5.850 1.00 0.00 C ATOM 53 OG SER A 6 -8.746 5.606 7.273 1.00 0.00 O ATOM 0 H SER A 6 -11.151 4.745 6.076 1.00 0.00 H new ATOM 0 HA SER A 6 -10.076 7.277 5.844 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.875 4.517 5.526 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.897 5.968 5.428 1.00 0.00 H new ATOM 0 HG SER A 6 -9.531 5.161 7.654 1.00 0.00 H new ATOM 59 N GLY A 7 -9.865 5.539 3.035 1.00 0.00 N ATOM 60 CA GLY A 7 -9.706 5.655 1.595 1.00 0.00 C ATOM 61 C GLY A 7 -10.486 6.854 1.053 1.00 0.00 C ATOM 62 O GLY A 7 -10.019 7.546 0.150 1.00 0.00 O ATOM 0 H GLY A 7 -9.996 4.586 3.374 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.649 5.763 1.350 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.054 4.742 1.112 1.00 0.00 H new ATOM 66 N ALA A 8 -11.661 7.064 1.627 1.00 0.00 N ATOM 67 CA ALA A 8 -12.510 8.168 1.213 1.00 0.00 C ATOM 68 C ALA A 8 -11.940 9.478 1.760 1.00 0.00 C ATOM 69 O ALA A 8 -11.920 10.491 1.062 1.00 0.00 O ATOM 70 CB ALA A 8 -13.944 7.915 1.684 1.00 0.00 C ATOM 0 H ALA A 8 -12.046 6.488 2.376 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.533 8.247 0.126 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.581 8.743 1.373 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.313 6.989 1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.961 7.832 2.771 1.00 0.00 H new ATOM 76 N SER A 9 -11.490 9.416 3.005 1.00 0.00 N ATOM 77 CA SER A 9 -10.921 10.584 3.655 1.00 0.00 C ATOM 78 C SER A 9 -9.686 11.060 2.887 1.00 0.00 C ATOM 79 O SER A 9 -9.464 12.262 2.744 1.00 0.00 O ATOM 80 CB SER A 9 -10.558 10.284 5.110 1.00 0.00 C ATOM 81 OG SER A 9 -11.506 9.419 5.729 1.00 0.00 O ATOM 0 H SER A 9 -11.508 8.574 3.581 1.00 0.00 H new ATOM 0 HA SER A 9 -11.671 11.375 3.653 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.569 9.827 5.150 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.500 11.218 5.669 1.00 0.00 H new ATOM 0 HG SER A 9 -11.238 9.250 6.656 1.00 0.00 H new ATOM 87 N LEU A 10 -8.915 10.093 2.412 1.00 0.00 N ATOM 88 CA LEU A 10 -7.708 10.398 1.663 1.00 0.00 C ATOM 89 C LEU A 10 -8.021 11.466 0.613 1.00 0.00 C ATOM 90 O LEU A 10 -7.196 12.338 0.346 1.00 0.00 O ATOM 91 CB LEU A 10 -7.103 9.120 1.078 1.00 0.00 C ATOM 92 CG LEU A 10 -6.725 8.034 2.087 1.00 0.00 C ATOM 93 CD1 LEU A 10 -6.267 6.759 1.375 1.00 0.00 C ATOM 94 CD2 LEU A 10 -5.677 8.546 3.077 1.00 0.00 C ATOM 0 H LEU A 10 -9.103 9.098 2.531 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.945 10.812 2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.814 8.697 0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.211 9.390 0.513 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.614 7.779 2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.004 6.003 2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.074 6.385 0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.397 6.980 0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.426 7.754 3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.780 8.846 2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.077 9.403 3.619 1.00 0.00 H new ATOM 106 N LEU A 11 -9.214 11.363 0.048 1.00 0.00 N ATOM 107 CA LEU A 11 -9.646 12.310 -0.966 1.00 0.00 C ATOM 108 C LEU A 11 -9.629 13.722 -0.379 1.00 0.00 C ATOM 109 O LEU A 11 -9.238 14.674 -1.054 1.00 0.00 O ATOM 110 CB LEU A 11 -11.004 11.898 -1.540 1.00 0.00 C ATOM 111 CG LEU A 11 -11.014 10.632 -2.398 1.00 0.00 C ATOM 112 CD1 LEU A 11 -10.496 9.429 -1.607 1.00 0.00 C ATOM 113 CD2 LEU A 11 -12.404 10.378 -2.984 1.00 0.00 C ATOM 0 H LEU A 11 -9.896 10.638 0.273 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.955 12.307 -1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.698 11.757 -0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.388 12.723 -2.141 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.334 10.782 -3.236 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.514 8.542 -2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.474 9.621 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.131 9.266 -0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.383 9.472 -3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.124 10.257 -2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.697 11.224 -3.606 1.00 0.00 H new ATOM 125 N ALA A 12 -10.058 13.815 0.871 1.00 0.00 N ATOM 126 CA ALA A 12 -10.096 15.095 1.556 1.00 0.00 C ATOM 127 C ALA A 12 -8.711 15.406 2.126 1.00 0.00 C ATOM 128 O ALA A 12 -8.228 16.532 2.014 1.00 0.00 O ATOM 129 CB ALA A 12 -11.178 15.063 2.638 1.00 0.00 C ATOM 0 H ALA A 12 -10.382 13.024 1.427 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.353 15.894 0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.207 16.024 3.152 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.147 14.869 2.178 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.952 14.274 3.355 1.00 0.00 H new ATOM 135 N ARG A 13 -8.110 14.388 2.725 1.00 0.00 N ATOM 136 CA ARG A 13 -6.790 14.538 3.312 1.00 0.00 C ATOM 137 C ARG A 13 -5.792 15.021 2.258 1.00 0.00 C ATOM 138 O ARG A 13 -5.051 15.975 2.490 1.00 0.00 O ATOM 139 CB ARG A 13 -6.297 13.216 3.905 1.00 0.00 C ATOM 140 CG ARG A 13 -6.212 13.297 5.430 1.00 0.00 C ATOM 141 CD ARG A 13 -5.464 12.091 6.002 1.00 0.00 C ATOM 142 NE ARG A 13 -5.784 11.931 7.438 1.00 0.00 N ATOM 143 CZ ARG A 13 -5.026 11.247 8.305 1.00 0.00 C ATOM 144 NH1 ARG A 13 -3.898 10.656 7.888 1.00 0.00 N ATOM 145 NH2 ARG A 13 -5.395 11.154 9.590 1.00 0.00 N ATOM 0 H ARG A 13 -8.514 13.456 2.816 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.864 15.276 4.111 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.972 12.410 3.617 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.317 12.973 3.495 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.704 14.216 5.721 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.216 13.340 5.852 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.741 11.189 5.457 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.390 12.224 5.873 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.635 12.369 7.790 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.616 10.727 6.910 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.321 10.135 8.548 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.253 11.604 9.908 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.818 10.633 10.250 1.00 0.00 H new ATOM 159 N TYR A 14 -5.804 14.339 1.122 1.00 0.00 N ATOM 160 CA TYR A 14 -4.908 14.686 0.032 1.00 0.00 C ATOM 161 C TYR A 14 -5.692 15.188 -1.182 1.00 0.00 C ATOM 162 O TYR A 14 -6.870 14.869 -1.341 1.00 0.00 O ATOM 163 CB TYR A 14 -4.182 13.393 -0.345 1.00 0.00 C ATOM 164 CG TYR A 14 -3.295 12.830 0.767 1.00 0.00 C ATOM 165 CD1 TYR A 14 -3.829 11.975 1.709 1.00 0.00 C ATOM 166 CD2 TYR A 14 -1.961 13.179 0.829 1.00 0.00 C ATOM 167 CE1 TYR A 14 -2.994 11.446 2.757 1.00 0.00 C ATOM 168 CE2 TYR A 14 -1.126 12.650 1.876 1.00 0.00 C ATOM 169 CZ TYR A 14 -1.684 11.809 2.788 1.00 0.00 C ATOM 170 OH TYR A 14 -0.896 11.309 3.777 1.00 0.00 O ATOM 0 H TYR A 14 -6.420 13.548 0.933 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.223 15.477 0.335 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.921 12.641 -0.622 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.568 13.577 -1.227 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.873 11.702 1.661 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.543 13.849 0.092 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.399 10.776 3.501 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.081 12.915 1.936 1.00 0.00 H new ATOM 0 HH TYR A 14 0.016 11.653 3.674 1.00 0.00 H new ATOM 180 N PRO A 15 -4.990 15.987 -2.030 1.00 0.00 N ATOM 181 CA PRO A 15 -5.607 16.537 -3.224 1.00 0.00 C ATOM 182 C PRO A 15 -5.760 15.466 -4.306 1.00 0.00 C ATOM 183 O PRO A 15 -5.266 14.349 -4.153 1.00 0.00 O ATOM 184 CB PRO A 15 -4.699 17.681 -3.646 1.00 0.00 C ATOM 185 CG PRO A 15 -3.370 17.436 -2.950 1.00 0.00 C ATOM 186 CD PRO A 15 -3.594 16.386 -1.873 1.00 0.00 C ATOM 0 HA PRO A 15 -6.621 16.896 -3.045 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.575 17.702 -4.729 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.121 18.643 -3.355 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.622 17.095 -3.665 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.993 18.360 -2.510 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.923 15.537 -2.002 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.407 16.792 -0.879 1.00 0.00 H new ATOM 194 N PRO A 16 -6.464 15.853 -5.403 1.00 0.00 N ATOM 195 CA PRO A 16 -6.688 14.938 -6.510 1.00 0.00 C ATOM 196 C PRO A 16 -5.417 14.764 -7.343 1.00 0.00 C ATOM 197 O PRO A 16 -5.221 13.727 -7.976 1.00 0.00 O ATOM 198 CB PRO A 16 -7.836 15.547 -7.297 1.00 0.00 C ATOM 199 CG PRO A 16 -7.905 17.005 -6.874 1.00 0.00 C ATOM 200 CD PRO A 16 -7.063 17.166 -5.619 1.00 0.00 C ATOM 0 HA PRO A 16 -6.940 13.931 -6.179 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.664 15.459 -8.370 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.773 15.033 -7.082 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.533 17.651 -7.669 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.937 17.298 -6.682 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.299 17.933 -5.750 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.674 17.467 -4.768 1.00 0.00 H new ATOM 208 N GLU A 17 -4.585 15.796 -7.318 1.00 0.00 N ATOM 209 CA GLU A 17 -3.338 15.770 -8.064 1.00 0.00 C ATOM 210 C GLU A 17 -2.301 14.914 -7.334 1.00 0.00 C ATOM 211 O GLU A 17 -1.194 14.715 -7.832 1.00 0.00 O ATOM 212 CB GLU A 17 -2.812 17.187 -8.300 1.00 0.00 C ATOM 213 CG GLU A 17 -2.317 17.813 -6.994 1.00 0.00 C ATOM 214 CD GLU A 17 -2.596 19.317 -6.967 1.00 0.00 C ATOM 215 OE1 GLU A 17 -3.781 19.672 -6.785 1.00 0.00 O ATOM 216 OE2 GLU A 17 -1.618 20.079 -7.130 1.00 0.00 O ATOM 0 H GLU A 17 -4.750 16.655 -6.793 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.529 15.321 -9.039 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.999 17.161 -9.026 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.601 17.805 -8.728 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.808 17.333 -6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.247 17.636 -6.884 1.00 0.00 H new ATOM 223 N LYS A 18 -2.696 14.431 -6.166 1.00 0.00 N ATOM 224 CA LYS A 18 -1.814 13.601 -5.363 1.00 0.00 C ATOM 225 C LYS A 18 -2.581 12.368 -4.879 1.00 0.00 C ATOM 226 O LYS A 18 -2.163 11.705 -3.931 1.00 0.00 O ATOM 227 CB LYS A 18 -1.190 14.420 -4.231 1.00 0.00 C ATOM 228 CG LYS A 18 -0.586 15.721 -4.764 1.00 0.00 C ATOM 229 CD LYS A 18 0.104 16.504 -3.646 1.00 0.00 C ATOM 230 CE LYS A 18 1.153 17.462 -4.214 1.00 0.00 C ATOM 231 NZ LYS A 18 2.406 17.381 -3.431 1.00 0.00 N ATOM 0 H LYS A 18 -3.615 14.598 -5.756 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.978 13.242 -5.964 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.948 14.647 -3.481 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.417 13.832 -3.735 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.133 15.496 -5.552 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.369 16.333 -5.212 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.638 17.066 -3.079 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.578 15.811 -2.951 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.352 17.216 -5.257 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.770 18.483 -4.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.107 18.037 -3.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.214 17.638 -2.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.778 16.411 -3.471 1.00 0.00 H new ATOM 245 N LEU A 19 -3.690 12.099 -5.552 1.00 0.00 N ATOM 246 CA LEU A 19 -4.519 10.958 -5.203 1.00 0.00 C ATOM 247 C LEU A 19 -4.232 9.809 -6.172 1.00 0.00 C ATOM 248 O LEU A 19 -4.481 9.926 -7.371 1.00 0.00 O ATOM 249 CB LEU A 19 -5.993 11.364 -5.149 1.00 0.00 C ATOM 250 CG LEU A 19 -6.532 11.755 -3.772 1.00 0.00 C ATOM 251 CD1 LEU A 19 -7.866 12.495 -3.894 1.00 0.00 C ATOM 252 CD2 LEU A 19 -6.635 10.534 -2.856 1.00 0.00 C ATOM 0 H LEU A 19 -4.034 12.652 -6.337 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.274 10.600 -4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.143 12.204 -5.827 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.591 10.536 -5.529 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.824 12.444 -3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.227 12.761 -2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.727 13.401 -4.484 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.596 11.851 -4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.021 10.840 -1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.310 9.802 -3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.648 10.089 -2.731 1.00 0.00 H new ATOM 264 N PHE A 20 -3.712 8.725 -5.616 1.00 0.00 N ATOM 265 CA PHE A 20 -3.389 7.556 -6.415 1.00 0.00 C ATOM 266 C PHE A 20 -3.844 6.272 -5.719 1.00 0.00 C ATOM 267 O PHE A 20 -3.759 6.161 -4.496 1.00 0.00 O ATOM 268 CB PHE A 20 -1.867 7.526 -6.569 1.00 0.00 C ATOM 269 CG PHE A 20 -1.333 8.466 -7.652 1.00 0.00 C ATOM 270 CD1 PHE A 20 -1.214 8.029 -8.934 1.00 0.00 C ATOM 271 CD2 PHE A 20 -0.977 9.739 -7.331 1.00 0.00 C ATOM 272 CE1 PHE A 20 -0.718 8.902 -9.938 1.00 0.00 C ATOM 273 CE2 PHE A 20 -0.481 10.612 -8.336 1.00 0.00 C ATOM 274 CZ PHE A 20 -0.362 10.175 -9.618 1.00 0.00 C ATOM 0 H PHE A 20 -3.506 8.632 -4.621 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.895 7.614 -7.379 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.410 7.790 -5.615 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.555 6.507 -6.800 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.497 7.018 -9.189 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.071 10.086 -6.313 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.623 8.555 -10.956 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.198 11.623 -8.082 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.015 10.839 -10.382 1.00 0.00 H new ATOM 284 N GLN A 21 -4.317 5.334 -6.526 1.00 0.00 N ATOM 285 CA GLN A 21 -4.786 4.062 -6.003 1.00 0.00 C ATOM 286 C GLN A 21 -3.793 2.949 -6.343 1.00 0.00 C ATOM 287 O GLN A 21 -2.881 3.150 -7.145 1.00 0.00 O ATOM 288 CB GLN A 21 -6.182 3.732 -6.533 1.00 0.00 C ATOM 289 CG GLN A 21 -6.959 2.872 -5.534 1.00 0.00 C ATOM 290 CD GLN A 21 -8.462 2.925 -5.817 1.00 0.00 C ATOM 291 OE1 GLN A 21 -8.908 2.883 -6.952 1.00 0.00 O ATOM 292 NE2 GLN A 21 -9.215 3.019 -4.725 1.00 0.00 N ATOM 0 H GLN A 21 -4.386 5.429 -7.539 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.855 4.141 -4.918 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.729 4.655 -6.726 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.099 3.206 -7.484 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.611 1.840 -5.589 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.764 3.220 -4.520 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.777 3.050 -3.804 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.231 3.060 -4.808 1.00 0.00 H new ATOM 301 N ALA A 22 -4.003 1.800 -5.718 1.00 0.00 N ATOM 302 CA ALA A 22 -3.137 0.655 -5.945 1.00 0.00 C ATOM 303 C ALA A 22 -3.599 -0.086 -7.201 1.00 0.00 C ATOM 304 O ALA A 22 -4.680 -0.673 -7.217 1.00 0.00 O ATOM 305 CB ALA A 22 -3.140 -0.240 -4.705 1.00 0.00 C ATOM 0 H ALA A 22 -4.760 1.637 -5.054 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.109 0.977 -6.112 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.491 -1.099 -4.875 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.777 0.326 -3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.155 -0.586 -4.508 1.00 0.00 H new ATOM 311 N GLU A 23 -2.757 -0.035 -8.223 1.00 0.00 N ATOM 312 CA GLU A 23 -3.065 -0.695 -9.480 1.00 0.00 C ATOM 313 C GLU A 23 -3.403 -2.167 -9.238 1.00 0.00 C ATOM 314 O GLU A 23 -4.321 -2.707 -9.855 1.00 0.00 O ATOM 315 CB GLU A 23 -1.909 -0.554 -10.471 1.00 0.00 C ATOM 316 CG GLU A 23 -1.748 0.899 -10.923 1.00 0.00 C ATOM 317 CD GLU A 23 -2.043 1.045 -12.417 1.00 0.00 C ATOM 318 OE1 GLU A 23 -3.238 0.948 -12.771 1.00 0.00 O ATOM 319 OE2 GLU A 23 -1.067 1.251 -13.171 1.00 0.00 O ATOM 0 H GLU A 23 -1.862 0.453 -8.206 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.937 -0.210 -9.918 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.984 -0.899 -10.008 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.089 -1.190 -11.338 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.421 1.538 -10.352 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.733 1.238 -10.714 1.00 0.00 H new ATOM 326 N ARG A 24 -2.644 -2.776 -8.339 1.00 0.00 N ATOM 327 CA ARG A 24 -2.852 -4.175 -8.007 1.00 0.00 C ATOM 328 C ARG A 24 -2.487 -4.434 -6.544 1.00 0.00 C ATOM 329 O ARG A 24 -1.961 -3.552 -5.866 1.00 0.00 O ATOM 330 CB ARG A 24 -2.009 -5.084 -8.904 1.00 0.00 C ATOM 331 CG ARG A 24 -0.544 -4.642 -8.913 1.00 0.00 C ATOM 332 CD ARG A 24 0.381 -5.814 -9.247 1.00 0.00 C ATOM 333 NE ARG A 24 1.429 -5.377 -10.195 1.00 0.00 N ATOM 334 CZ ARG A 24 2.417 -6.166 -10.639 1.00 0.00 C ATOM 335 NH1 ARG A 24 2.497 -7.437 -10.223 1.00 0.00 N ATOM 336 NH2 ARG A 24 3.325 -5.684 -11.499 1.00 0.00 N ATOM 0 H ARG A 24 -1.883 -2.326 -7.830 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.906 -4.401 -8.167 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.080 -6.114 -8.553 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.404 -5.066 -9.920 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.405 -3.845 -9.644 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.279 -4.231 -7.939 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.840 -6.197 -8.336 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.196 -6.631 -9.681 1.00 0.00 H new ATOM 0 HE ARG A 24 1.398 -4.415 -10.532 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.806 -7.804 -9.569 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.249 -8.038 -10.561 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.264 -4.716 -11.816 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.077 -6.285 -11.837 1.00 0.00 H new ATOM 350 N ASN A 25 -2.780 -5.647 -6.100 1.00 0.00 N ATOM 351 CA ASN A 25 -2.490 -6.034 -4.730 1.00 0.00 C ATOM 352 C ASN A 25 -0.980 -5.957 -4.492 1.00 0.00 C ATOM 353 O ASN A 25 -0.255 -6.909 -4.776 1.00 0.00 O ATOM 354 CB ASN A 25 -2.940 -7.470 -4.455 1.00 0.00 C ATOM 355 CG ASN A 25 -4.292 -7.756 -5.112 1.00 0.00 C ATOM 356 OD1 ASN A 25 -4.381 -8.337 -6.181 1.00 0.00 O ATOM 357 ND2 ASN A 25 -5.335 -7.317 -4.414 1.00 0.00 N ATOM 0 H ASN A 25 -3.216 -6.376 -6.665 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.027 -5.356 -4.067 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.193 -8.168 -4.833 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.012 -7.633 -3.380 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.281 -7.459 -4.767 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.189 -6.838 -3.525 1.00 0.00 H new ATOM 364 N PHE A 26 -0.552 -4.816 -3.974 1.00 0.00 N ATOM 365 CA PHE A 26 0.858 -4.603 -3.695 1.00 0.00 C ATOM 366 C PHE A 26 1.283 -5.341 -2.424 1.00 0.00 C ATOM 367 O PHE A 26 0.595 -5.277 -1.405 1.00 0.00 O ATOM 368 CB PHE A 26 1.051 -3.099 -3.486 1.00 0.00 C ATOM 369 CG PHE A 26 2.513 -2.675 -3.334 1.00 0.00 C ATOM 370 CD1 PHE A 26 3.134 -2.794 -2.130 1.00 0.00 C ATOM 371 CD2 PHE A 26 3.191 -2.177 -4.403 1.00 0.00 C ATOM 372 CE1 PHE A 26 4.490 -2.400 -1.989 1.00 0.00 C ATOM 373 CE2 PHE A 26 4.548 -1.783 -4.261 1.00 0.00 C ATOM 374 CZ PHE A 26 5.169 -1.902 -3.057 1.00 0.00 C ATOM 0 H PHE A 26 -1.157 -4.029 -3.740 1.00 0.00 H new ATOM 0 HA PHE A 26 1.461 -4.980 -4.521 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.615 -2.566 -4.331 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.500 -2.792 -2.597 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.595 -3.188 -1.281 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.698 -2.081 -5.359 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.983 -2.496 -1.033 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.087 -1.389 -5.110 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.201 -1.601 -2.949 1.00 0.00 H new ATOM 384 N ASN A 27 2.413 -6.024 -2.524 1.00 0.00 N ATOM 385 CA ASN A 27 2.938 -6.773 -1.395 1.00 0.00 C ATOM 386 C ASN A 27 4.294 -6.193 -0.989 1.00 0.00 C ATOM 387 O ASN A 27 5.267 -6.299 -1.735 1.00 0.00 O ATOM 388 CB ASN A 27 3.143 -8.245 -1.758 1.00 0.00 C ATOM 389 CG ASN A 27 2.576 -9.162 -0.672 1.00 0.00 C ATOM 390 OD1 ASN A 27 2.287 -8.747 0.438 1.00 0.00 O ATOM 391 ND2 ASN A 27 2.435 -10.428 -1.053 1.00 0.00 N ATOM 0 H ASN A 27 2.980 -6.075 -3.370 1.00 0.00 H new ATOM 0 HA ASN A 27 2.219 -6.699 -0.579 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.657 -8.459 -2.710 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.206 -8.446 -1.890 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.065 -11.119 -0.400 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.697 -10.708 -1.998 1.00 0.00 H new ATOM 398 N ALA A 28 4.316 -5.592 0.191 1.00 0.00 N ATOM 399 CA ALA A 28 5.537 -4.995 0.705 1.00 0.00 C ATOM 400 C ALA A 28 6.708 -5.949 0.460 1.00 0.00 C ATOM 401 O ALA A 28 6.646 -7.121 0.828 1.00 0.00 O ATOM 402 CB ALA A 28 5.357 -4.661 2.187 1.00 0.00 C ATOM 0 H ALA A 28 3.507 -5.505 0.807 1.00 0.00 H new ATOM 0 HA ALA A 28 5.757 -4.063 0.185 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.273 -4.213 2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.532 -3.958 2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.138 -5.573 2.742 1.00 0.00 H new ATOM 408 N ALA A 29 7.748 -5.411 -0.160 1.00 0.00 N ATOM 409 CA ALA A 29 8.931 -6.199 -0.458 1.00 0.00 C ATOM 410 C ALA A 29 10.070 -5.773 0.470 1.00 0.00 C ATOM 411 O ALA A 29 10.760 -6.617 1.040 1.00 0.00 O ATOM 412 CB ALA A 29 9.293 -6.038 -1.936 1.00 0.00 C ATOM 0 H ALA A 29 7.796 -4.439 -0.464 1.00 0.00 H new ATOM 0 HA ALA A 29 8.741 -7.258 -0.282 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.181 -6.629 -2.160 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.463 -6.382 -2.553 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.493 -4.988 -2.149 1.00 0.00 H new ATOM 418 N GLN A 30 10.232 -4.464 0.593 1.00 0.00 N ATOM 419 CA GLN A 30 11.276 -3.915 1.443 1.00 0.00 C ATOM 420 C GLN A 30 10.714 -3.585 2.827 1.00 0.00 C ATOM 421 O GLN A 30 9.552 -3.868 3.113 1.00 0.00 O ATOM 422 CB GLN A 30 11.913 -2.681 0.801 1.00 0.00 C ATOM 423 CG GLN A 30 12.765 -3.071 -0.409 1.00 0.00 C ATOM 424 CD GLN A 30 12.403 -2.222 -1.630 1.00 0.00 C ATOM 425 OE1 GLN A 30 13.160 -1.376 -2.076 1.00 0.00 O ATOM 426 NE2 GLN A 30 11.207 -2.495 -2.143 1.00 0.00 N ATOM 0 H GLN A 30 9.658 -3.767 0.118 1.00 0.00 H new ATOM 0 HA GLN A 30 12.056 -4.667 1.559 1.00 0.00 H new ATOM 0 HB2 GLN A 30 11.134 -1.984 0.492 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.531 -2.163 1.534 1.00 0.00 H new ATOM 0 HG2 GLN A 30 13.821 -2.942 -0.172 1.00 0.00 H new ATOM 0 HG3 GLN A 30 12.617 -4.126 -0.638 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.623 -3.217 -1.720 1.00 0.00 H new ATOM 0 HE22 GLN A 30 10.873 -1.983 -2.960 1.00 0.00 H new ATOM 435 N ASP A 31 11.566 -2.990 3.650 1.00 0.00 N ATOM 436 CA ASP A 31 11.169 -2.618 4.997 1.00 0.00 C ATOM 437 C ASP A 31 10.404 -1.294 4.952 1.00 0.00 C ATOM 438 O ASP A 31 9.680 -0.959 5.888 1.00 0.00 O ATOM 439 CB ASP A 31 12.391 -2.428 5.898 1.00 0.00 C ATOM 440 CG ASP A 31 12.102 -2.485 7.400 1.00 0.00 C ATOM 441 OD1 ASP A 31 11.602 -1.465 7.921 1.00 0.00 O ATOM 442 OD2 ASP A 31 12.389 -3.548 7.992 1.00 0.00 O ATOM 0 H ASP A 31 12.529 -2.757 3.409 1.00 0.00 H new ATOM 0 HA ASP A 31 10.546 -3.417 5.398 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.126 -3.196 5.655 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.848 -1.466 5.667 1.00 0.00 H new ATOM 447 N LEU A 32 10.591 -0.577 3.854 1.00 0.00 N ATOM 448 CA LEU A 32 9.927 0.703 3.674 1.00 0.00 C ATOM 449 C LEU A 32 8.614 0.491 2.918 1.00 0.00 C ATOM 450 O LEU A 32 7.734 1.350 2.940 1.00 0.00 O ATOM 451 CB LEU A 32 10.868 1.705 3.002 1.00 0.00 C ATOM 452 CG LEU A 32 12.117 2.090 3.798 1.00 0.00 C ATOM 453 CD1 LEU A 32 13.013 3.031 2.991 1.00 0.00 C ATOM 454 CD2 LEU A 32 11.739 2.684 5.157 1.00 0.00 C ATOM 0 H LEU A 32 11.193 -0.858 3.080 1.00 0.00 H new ATOM 0 HA LEU A 32 9.672 1.138 4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.185 1.290 2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.305 2.613 2.785 1.00 0.00 H new ATOM 0 HG LEU A 32 12.692 1.184 3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.893 3.289 3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.324 2.537 2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.461 3.939 2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.645 2.949 5.703 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.131 3.576 5.008 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.172 1.950 5.730 1.00 0.00 H new ATOM 466 N ASP A 33 8.524 -0.659 2.265 1.00 0.00 N ATOM 467 CA ASP A 33 7.333 -0.996 1.504 1.00 0.00 C ATOM 468 C ASP A 33 6.262 -1.538 2.452 1.00 0.00 C ATOM 469 O ASP A 33 6.578 -2.216 3.429 1.00 0.00 O ATOM 470 CB ASP A 33 7.632 -2.076 0.462 1.00 0.00 C ATOM 471 CG ASP A 33 8.655 -1.679 -0.605 1.00 0.00 C ATOM 472 OD1 ASP A 33 9.476 -0.787 -0.300 1.00 0.00 O ATOM 473 OD2 ASP A 33 8.593 -2.278 -1.700 1.00 0.00 O ATOM 0 H ASP A 33 9.256 -1.369 2.247 1.00 0.00 H new ATOM 0 HA ASP A 33 6.990 -0.093 1.000 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.993 -2.966 0.977 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.700 -2.350 -0.033 1.00 0.00 H new ATOM 478 N VAL A 34 5.017 -1.219 2.132 1.00 0.00 N ATOM 479 CA VAL A 34 3.897 -1.666 2.944 1.00 0.00 C ATOM 480 C VAL A 34 2.832 -2.287 2.038 1.00 0.00 C ATOM 481 O VAL A 34 2.561 -1.777 0.952 1.00 0.00 O ATOM 482 CB VAL A 34 3.364 -0.504 3.784 1.00 0.00 C ATOM 483 CG1 VAL A 34 4.510 0.276 4.431 1.00 0.00 C ATOM 484 CG2 VAL A 34 2.478 0.419 2.944 1.00 0.00 C ATOM 0 H VAL A 34 4.758 -0.656 1.322 1.00 0.00 H new ATOM 0 HA VAL A 34 4.217 -2.437 3.645 1.00 0.00 H new ATOM 0 HB VAL A 34 2.751 -0.922 4.582 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.103 1.096 5.022 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.083 -0.389 5.078 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.161 0.677 3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.112 1.237 3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.058 0.825 2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.632 -0.146 2.553 1.00 0.00 H new ATOM 494 N SER A 35 2.257 -3.380 2.518 1.00 0.00 N ATOM 495 CA SER A 35 1.227 -4.076 1.766 1.00 0.00 C ATOM 496 C SER A 35 0.053 -3.135 1.491 1.00 0.00 C ATOM 497 O SER A 35 -0.247 -2.258 2.300 1.00 0.00 O ATOM 498 CB SER A 35 0.746 -5.321 2.513 1.00 0.00 C ATOM 499 OG SER A 35 0.429 -5.038 3.873 1.00 0.00 O ATOM 0 H SER A 35 2.485 -3.801 3.419 1.00 0.00 H new ATOM 0 HA SER A 35 1.656 -4.398 0.817 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.133 -5.727 2.013 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.519 -6.089 2.473 1.00 0.00 H new ATOM 0 HG SER A 35 0.124 -5.858 4.315 1.00 0.00 H new ATOM 505 N LEU A 36 -0.580 -3.348 0.346 1.00 0.00 N ATOM 506 CA LEU A 36 -1.714 -2.529 -0.046 1.00 0.00 C ATOM 507 C LEU A 36 -2.662 -3.360 -0.914 1.00 0.00 C ATOM 508 O LEU A 36 -2.241 -4.327 -1.547 1.00 0.00 O ATOM 509 CB LEU A 36 -1.238 -1.239 -0.716 1.00 0.00 C ATOM 510 CG LEU A 36 -0.456 -0.270 0.173 1.00 0.00 C ATOM 511 CD1 LEU A 36 0.112 0.890 -0.647 1.00 0.00 C ATOM 512 CD2 LEU A 36 -1.315 0.219 1.340 1.00 0.00 C ATOM 0 H LEU A 36 -0.329 -4.076 -0.323 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.278 -2.215 0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.612 -1.505 -1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.109 -0.716 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 36 0.391 -0.807 0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.663 1.564 0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.783 0.500 -1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.704 1.434 -1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.735 0.906 1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.195 0.733 0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.628 -0.633 1.943 1.00 0.00 H new ATOM 524 N LEU A 37 -3.922 -2.953 -0.914 1.00 0.00 N ATOM 525 CA LEU A 37 -4.933 -3.648 -1.694 1.00 0.00 C ATOM 526 C LEU A 37 -5.174 -2.888 -3.001 1.00 0.00 C ATOM 527 O LEU A 37 -5.221 -1.659 -3.009 1.00 0.00 O ATOM 528 CB LEU A 37 -6.200 -3.859 -0.863 1.00 0.00 C ATOM 529 CG LEU A 37 -6.173 -5.038 0.112 1.00 0.00 C ATOM 530 CD1 LEU A 37 -7.528 -5.209 0.801 1.00 0.00 C ATOM 531 CD2 LEU A 37 -5.722 -6.320 -0.591 1.00 0.00 C ATOM 0 H LEU A 37 -4.267 -2.151 -0.387 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.587 -4.646 -1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.395 -2.949 -0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.039 -3.996 -1.545 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.440 -4.822 0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.482 -6.053 1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.771 -4.302 1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.297 -5.393 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.711 -7.143 0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.413 -6.553 -1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.720 -6.179 -0.997 1.00 0.00 H new ATOM 543 N GLU A 38 -5.319 -3.652 -4.074 1.00 0.00 N ATOM 544 CA GLU A 38 -5.554 -3.067 -5.383 1.00 0.00 C ATOM 545 C GLU A 38 -6.676 -2.030 -5.307 1.00 0.00 C ATOM 546 O GLU A 38 -6.779 -1.157 -6.168 1.00 0.00 O ATOM 547 CB GLU A 38 -5.875 -4.148 -6.417 1.00 0.00 C ATOM 548 CG GLU A 38 -7.052 -5.012 -5.959 1.00 0.00 C ATOM 549 CD GLU A 38 -7.523 -5.937 -7.083 1.00 0.00 C ATOM 550 OE1 GLU A 38 -6.974 -7.057 -7.164 1.00 0.00 O ATOM 551 OE2 GLU A 38 -8.420 -5.503 -7.837 1.00 0.00 O ATOM 0 H GLU A 38 -5.278 -4.671 -4.063 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.642 -2.564 -5.704 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.112 -3.682 -7.374 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.998 -4.776 -6.576 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.757 -5.606 -5.094 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.875 -4.372 -5.641 1.00 0.00 H new ATOM 558 N GLY A 39 -7.489 -2.159 -4.268 1.00 0.00 N ATOM 559 CA GLY A 39 -8.600 -1.244 -4.069 1.00 0.00 C ATOM 560 C GLY A 39 -8.222 -0.128 -3.092 1.00 0.00 C ATOM 561 O GLY A 39 -8.819 0.948 -3.112 1.00 0.00 O ATOM 0 H GLY A 39 -7.400 -2.883 -3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.895 -0.811 -5.025 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.462 -1.791 -3.687 1.00 0.00 H new ATOM 565 N ASP A 40 -7.233 -0.422 -2.261 1.00 0.00 N ATOM 566 CA ASP A 40 -6.769 0.543 -1.279 1.00 0.00 C ATOM 567 C ASP A 40 -6.373 1.838 -1.990 1.00 0.00 C ATOM 568 O ASP A 40 -5.794 1.802 -3.075 1.00 0.00 O ATOM 569 CB ASP A 40 -5.541 0.020 -0.531 1.00 0.00 C ATOM 570 CG ASP A 40 -5.850 -0.844 0.694 1.00 0.00 C ATOM 571 OD1 ASP A 40 -7.044 -0.908 1.057 1.00 0.00 O ATOM 572 OD2 ASP A 40 -4.884 -1.420 1.240 1.00 0.00 O ATOM 0 H ASP A 40 -6.740 -1.315 -2.248 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.577 0.717 -0.569 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.933 -0.562 -1.224 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.937 0.871 -0.214 1.00 0.00 H new ATOM 577 N LEU A 41 -6.701 2.951 -1.351 1.00 0.00 N ATOM 578 CA LEU A 41 -6.387 4.255 -1.909 1.00 0.00 C ATOM 579 C LEU A 41 -5.253 4.891 -1.102 1.00 0.00 C ATOM 580 O LEU A 41 -5.093 4.603 0.083 1.00 0.00 O ATOM 581 CB LEU A 41 -7.645 5.121 -1.988 1.00 0.00 C ATOM 582 CG LEU A 41 -7.585 6.306 -2.955 1.00 0.00 C ATOM 583 CD1 LEU A 41 -6.857 7.493 -2.322 1.00 0.00 C ATOM 584 CD2 LEU A 41 -6.957 5.893 -4.288 1.00 0.00 C ATOM 0 H LEU A 41 -7.181 2.977 -0.452 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.032 4.154 -2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.482 4.485 -2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.863 5.502 -0.990 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.605 6.629 -3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.828 8.322 -3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.384 7.804 -1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.839 7.200 -2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.926 6.753 -4.957 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.944 5.530 -4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.554 5.101 -4.741 1.00 0.00 H new ATOM 596 N VAL A 42 -4.494 5.742 -1.777 1.00 0.00 N ATOM 597 CA VAL A 42 -3.380 6.421 -1.137 1.00 0.00 C ATOM 598 C VAL A 42 -3.227 7.819 -1.739 1.00 0.00 C ATOM 599 O VAL A 42 -3.715 8.084 -2.836 1.00 0.00 O ATOM 600 CB VAL A 42 -2.111 5.575 -1.261 1.00 0.00 C ATOM 601 CG1 VAL A 42 -2.344 4.157 -0.735 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.610 5.547 -2.707 1.00 0.00 C ATOM 0 H VAL A 42 -4.629 5.977 -2.760 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.570 6.545 -0.071 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.338 6.038 -0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.427 3.577 -0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.633 4.201 0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.138 3.682 -1.310 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.707 4.939 -2.768 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.379 5.120 -3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.386 6.562 -3.034 1.00 0.00 H new ATOM 612 N GLY A 43 -2.547 8.678 -0.993 1.00 0.00 N ATOM 613 CA GLY A 43 -2.324 10.043 -1.439 1.00 0.00 C ATOM 614 C GLY A 43 -0.828 10.360 -1.506 1.00 0.00 C ATOM 615 O GLY A 43 -0.183 10.545 -0.475 1.00 0.00 O ATOM 0 H GLY A 43 -2.143 8.455 -0.083 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.774 10.187 -2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.816 10.737 -0.758 1.00 0.00 H new ATOM 619 N VAL A 44 -0.321 10.414 -2.728 1.00 0.00 N ATOM 620 CA VAL A 44 1.086 10.706 -2.943 1.00 0.00 C ATOM 621 C VAL A 44 1.539 11.773 -1.945 1.00 0.00 C ATOM 622 O VAL A 44 0.875 12.795 -1.779 1.00 0.00 O ATOM 623 CB VAL A 44 1.320 11.111 -4.399 1.00 0.00 C ATOM 624 CG1 VAL A 44 2.633 11.882 -4.549 1.00 0.00 C ATOM 625 CG2 VAL A 44 1.294 9.889 -5.320 1.00 0.00 C ATOM 0 H VAL A 44 -0.860 10.260 -3.580 1.00 0.00 H new ATOM 0 HA VAL A 44 1.692 9.817 -2.766 1.00 0.00 H new ATOM 0 HB VAL A 44 0.506 11.772 -4.697 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.775 12.158 -5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.598 12.783 -3.937 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.463 11.255 -4.223 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.463 10.205 -6.349 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.077 9.192 -5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.324 9.398 -5.246 1.00 0.00 H new ATOM 635 N ILE A 45 2.667 11.499 -1.305 1.00 0.00 N ATOM 636 CA ILE A 45 3.216 12.424 -0.328 1.00 0.00 C ATOM 637 C ILE A 45 4.442 13.119 -0.923 1.00 0.00 C ATOM 638 O ILE A 45 4.506 14.346 -0.963 1.00 0.00 O ATOM 639 CB ILE A 45 3.497 11.703 0.992 1.00 0.00 C ATOM 640 CG1 ILE A 45 2.194 11.343 1.709 1.00 0.00 C ATOM 641 CG2 ILE A 45 4.431 12.529 1.880 1.00 0.00 C ATOM 642 CD1 ILE A 45 2.427 10.248 2.752 1.00 0.00 C ATOM 0 H ILE A 45 3.215 10.650 -1.444 1.00 0.00 H new ATOM 0 HA ILE A 45 2.492 13.203 -0.091 1.00 0.00 H new ATOM 0 HB ILE A 45 4.010 10.768 0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.784 12.230 2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.455 11.006 0.982 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.615 11.994 2.812 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.376 12.691 1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.968 13.491 2.099 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.485 10.011 3.247 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.814 9.355 2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.148 10.597 3.491 1.00 0.00 H new ATOM 654 N LYS A 46 5.386 12.303 -1.370 1.00 0.00 N ATOM 655 CA LYS A 46 6.607 12.824 -1.961 1.00 0.00 C ATOM 656 C LYS A 46 6.862 12.122 -3.296 1.00 0.00 C ATOM 657 O LYS A 46 6.555 10.941 -3.449 1.00 0.00 O ATOM 658 CB LYS A 46 7.771 12.710 -0.974 1.00 0.00 C ATOM 659 CG LYS A 46 8.090 14.067 -0.344 1.00 0.00 C ATOM 660 CD LYS A 46 9.345 13.985 0.528 1.00 0.00 C ATOM 661 CE LYS A 46 9.026 14.343 1.981 1.00 0.00 C ATOM 662 NZ LYS A 46 10.269 14.405 2.784 1.00 0.00 N ATOM 0 H LYS A 46 5.330 11.285 -1.335 1.00 0.00 H new ATOM 0 HA LYS A 46 6.503 13.888 -2.174 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.521 11.992 -0.193 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.653 12.328 -1.488 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.235 14.811 -1.128 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.245 14.400 0.259 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.760 12.978 0.480 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.106 14.663 0.141 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.512 15.303 2.021 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.349 13.601 2.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.035 14.649 3.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.744 13.480 2.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.902 15.129 2.389 1.00 0.00 H new ATOM 676 N LYS A 47 7.421 12.880 -4.229 1.00 0.00 N ATOM 677 CA LYS A 47 7.721 12.345 -5.546 1.00 0.00 C ATOM 678 C LYS A 47 9.226 12.097 -5.661 1.00 0.00 C ATOM 679 O LYS A 47 9.792 12.185 -6.749 1.00 0.00 O ATOM 680 CB LYS A 47 7.164 13.263 -6.636 1.00 0.00 C ATOM 681 CG LYS A 47 5.638 13.178 -6.699 1.00 0.00 C ATOM 682 CD LYS A 47 5.076 14.155 -7.734 1.00 0.00 C ATOM 683 CE LYS A 47 3.614 13.835 -8.052 1.00 0.00 C ATOM 684 NZ LYS A 47 2.774 13.994 -6.845 1.00 0.00 N ATOM 0 H LYS A 47 7.674 13.860 -4.099 1.00 0.00 H new ATOM 0 HA LYS A 47 7.228 11.383 -5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.466 14.292 -6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.587 12.985 -7.601 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.337 12.161 -6.952 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.217 13.400 -5.718 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.155 15.175 -7.357 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.670 14.105 -8.647 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.255 14.495 -8.842 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.532 12.815 -8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.017 13.281 -6.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.360 13.868 -5.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.353 14.945 -6.838 1.00 0.00 H new ATOM 698 N LYS A 48 9.831 11.791 -4.522 1.00 0.00 N ATOM 699 CA LYS A 48 11.260 11.529 -4.481 1.00 0.00 C ATOM 700 C LYS A 48 11.608 10.832 -3.165 1.00 0.00 C ATOM 701 O LYS A 48 11.241 11.306 -2.091 1.00 0.00 O ATOM 702 CB LYS A 48 12.048 12.819 -4.722 1.00 0.00 C ATOM 703 CG LYS A 48 12.757 12.783 -6.077 1.00 0.00 C ATOM 704 CD LYS A 48 14.099 13.515 -6.013 1.00 0.00 C ATOM 705 CE LYS A 48 14.239 14.505 -7.171 1.00 0.00 C ATOM 706 NZ LYS A 48 13.518 15.762 -6.870 1.00 0.00 N ATOM 0 H LYS A 48 9.358 11.719 -3.621 1.00 0.00 H new ATOM 0 HA LYS A 48 11.547 10.852 -5.286 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.373 13.674 -4.683 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.781 12.955 -3.927 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.917 11.748 -6.380 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.123 13.243 -6.835 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.183 14.045 -5.064 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.914 12.792 -6.047 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.293 14.718 -7.350 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.844 14.062 -8.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.624 16.422 -7.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.509 15.557 -6.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.914 16.192 -6.010 1.00 0.00 H new ATOM 720 N ASP A 49 12.313 9.717 -3.291 1.00 0.00 N ATOM 721 CA ASP A 49 12.716 8.950 -2.125 1.00 0.00 C ATOM 722 C ASP A 49 13.979 9.569 -1.523 1.00 0.00 C ATOM 723 O ASP A 49 14.683 10.325 -2.191 1.00 0.00 O ATOM 724 CB ASP A 49 13.032 7.501 -2.501 1.00 0.00 C ATOM 725 CG ASP A 49 14.457 7.259 -3.001 1.00 0.00 C ATOM 726 OD1 ASP A 49 15.019 8.206 -3.593 1.00 0.00 O ATOM 727 OD2 ASP A 49 14.953 6.133 -2.780 1.00 0.00 O ATOM 0 H ASP A 49 12.615 9.327 -4.183 1.00 0.00 H new ATOM 0 HA ASP A 49 11.893 8.966 -1.411 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.856 6.869 -1.630 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.333 7.181 -3.274 1.00 0.00 H new ATOM 732 N PRO A 50 14.235 9.216 -0.235 1.00 0.00 N ATOM 733 CA PRO A 50 15.401 9.728 0.464 1.00 0.00 C ATOM 734 C PRO A 50 16.677 9.033 -0.016 1.00 0.00 C ATOM 735 O PRO A 50 17.342 8.344 0.756 1.00 0.00 O ATOM 736 CB PRO A 50 15.113 9.489 1.937 1.00 0.00 C ATOM 737 CG PRO A 50 14.016 8.439 1.982 1.00 0.00 C ATOM 738 CD PRO A 50 13.424 8.323 0.587 1.00 0.00 C ATOM 0 HA PRO A 50 15.575 10.787 0.272 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.006 9.144 2.458 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.794 10.409 2.427 1.00 0.00 H new ATOM 0 HG2 PRO A 50 14.419 7.480 2.307 1.00 0.00 H new ATOM 0 HG3 PRO A 50 13.247 8.721 2.701 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.470 7.297 0.221 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.375 8.618 0.576 1.00 0.00 H new ATOM 746 N MET A 51 16.981 9.239 -1.290 1.00 0.00 N ATOM 747 CA MET A 51 18.166 8.641 -1.882 1.00 0.00 C ATOM 748 C MET A 51 18.437 9.222 -3.271 1.00 0.00 C ATOM 749 O MET A 51 19.520 9.744 -3.529 1.00 0.00 O ATOM 750 CB MET A 51 17.974 7.127 -1.990 1.00 0.00 C ATOM 751 CG MET A 51 18.366 6.430 -0.685 1.00 0.00 C ATOM 752 SD MET A 51 19.153 4.868 -1.040 1.00 0.00 S ATOM 753 CE MET A 51 20.687 5.085 -0.153 1.00 0.00 C ATOM 0 H MET A 51 16.428 9.811 -1.928 1.00 0.00 H new ATOM 0 HA MET A 51 19.021 8.863 -1.243 1.00 0.00 H new ATOM 0 HB2 MET A 51 16.934 6.905 -2.227 1.00 0.00 H new ATOM 0 HB3 MET A 51 18.578 6.738 -2.810 1.00 0.00 H new ATOM 0 HG2 MET A 51 19.042 7.065 -0.113 1.00 0.00 H new ATOM 0 HG3 MET A 51 17.481 6.269 -0.069 1.00 0.00 H new ATOM 0 HE1 MET A 51 21.304 4.194 -0.270 1.00 0.00 H new ATOM 0 HE2 MET A 51 21.219 5.949 -0.551 1.00 0.00 H new ATOM 0 HE3 MET A 51 20.476 5.244 0.905 1.00 0.00 H new ATOM 763 N GLY A 52 17.434 9.111 -4.130 1.00 0.00 N ATOM 764 CA GLY A 52 17.550 9.619 -5.486 1.00 0.00 C ATOM 765 C GLY A 52 16.888 8.668 -6.486 1.00 0.00 C ATOM 766 O GLY A 52 17.570 8.037 -7.293 1.00 0.00 O ATOM 0 H GLY A 52 16.537 8.676 -3.913 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.084 10.602 -5.551 1.00 0.00 H new ATOM 0 HA3 GLY A 52 18.602 9.747 -5.742 1.00 0.00 H new ATOM 770 N SER A 53 15.568 8.596 -6.400 1.00 0.00 N ATOM 771 CA SER A 53 14.807 7.733 -7.288 1.00 0.00 C ATOM 772 C SER A 53 13.371 8.246 -7.411 1.00 0.00 C ATOM 773 O SER A 53 12.663 8.367 -6.412 1.00 0.00 O ATOM 774 CB SER A 53 14.813 6.287 -6.789 1.00 0.00 C ATOM 775 OG SER A 53 14.114 6.145 -5.555 1.00 0.00 O ATOM 0 H SER A 53 15.006 9.121 -5.730 1.00 0.00 H new ATOM 0 HA SER A 53 15.279 7.752 -8.271 1.00 0.00 H new ATOM 0 HB2 SER A 53 14.357 5.642 -7.540 1.00 0.00 H new ATOM 0 HB3 SER A 53 15.842 5.951 -6.663 1.00 0.00 H new ATOM 0 HG SER A 53 13.475 6.881 -5.455 1.00 0.00 H new ATOM 781 N GLN A 54 12.983 8.534 -8.645 1.00 0.00 N ATOM 782 CA GLN A 54 11.644 9.030 -8.911 1.00 0.00 C ATOM 783 C GLN A 54 10.695 7.867 -9.205 1.00 0.00 C ATOM 784 O GLN A 54 9.479 8.048 -9.247 1.00 0.00 O ATOM 785 CB GLN A 54 11.651 10.036 -10.064 1.00 0.00 C ATOM 786 CG GLN A 54 12.357 9.458 -11.292 1.00 0.00 C ATOM 787 CD GLN A 54 11.499 9.628 -12.548 1.00 0.00 C ATOM 788 OE1 GLN A 54 11.641 10.574 -13.305 1.00 0.00 O ATOM 789 NE2 GLN A 54 10.603 8.661 -12.726 1.00 0.00 N ATOM 0 H GLN A 54 13.573 8.433 -9.471 1.00 0.00 H new ATOM 0 HA GLN A 54 11.287 9.549 -8.021 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.627 10.306 -10.322 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.152 10.952 -9.749 1.00 0.00 H new ATOM 0 HG2 GLN A 54 13.316 9.956 -11.432 1.00 0.00 H new ATOM 0 HG3 GLN A 54 12.567 8.401 -11.131 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.537 7.897 -12.053 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.982 8.683 -13.535 1.00 0.00 H new ATOM 798 N ASN A 55 11.286 6.698 -9.402 1.00 0.00 N ATOM 799 CA ASN A 55 10.509 5.505 -9.692 1.00 0.00 C ATOM 800 C ASN A 55 9.685 5.127 -8.459 1.00 0.00 C ATOM 801 O ASN A 55 8.584 4.593 -8.583 1.00 0.00 O ATOM 802 CB ASN A 55 11.419 4.324 -10.033 1.00 0.00 C ATOM 803 CG ASN A 55 10.861 3.525 -11.213 1.00 0.00 C ATOM 804 OD1 ASN A 55 9.859 2.837 -11.112 1.00 0.00 O ATOM 805 ND2 ASN A 55 11.565 3.654 -12.334 1.00 0.00 N ATOM 0 H ASN A 55 12.295 6.551 -9.366 1.00 0.00 H new ATOM 0 HA ASN A 55 9.865 5.721 -10.544 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.418 4.688 -10.275 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.519 3.674 -9.164 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.275 3.160 -13.178 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.395 4.247 -12.350 1.00 0.00 H new ATOM 812 N ARG A 56 10.251 5.418 -7.297 1.00 0.00 N ATOM 813 CA ARG A 56 9.584 5.115 -6.042 1.00 0.00 C ATOM 814 C ARG A 56 9.120 6.405 -5.363 1.00 0.00 C ATOM 815 O ARG A 56 9.910 7.327 -5.168 1.00 0.00 O ATOM 816 CB ARG A 56 10.511 4.353 -5.094 1.00 0.00 C ATOM 817 CG ARG A 56 9.712 3.623 -4.013 1.00 0.00 C ATOM 818 CD ARG A 56 10.346 2.271 -3.680 1.00 0.00 C ATOM 819 NE ARG A 56 11.187 2.392 -2.468 1.00 0.00 N ATOM 820 CZ ARG A 56 12.468 2.785 -2.479 1.00 0.00 C ATOM 821 NH1 ARG A 56 13.063 3.098 -3.638 1.00 0.00 N ATOM 822 NH2 ARG A 56 13.154 2.866 -1.331 1.00 0.00 N ATOM 0 H ARG A 56 11.165 5.861 -7.198 1.00 0.00 H new ATOM 0 HA ARG A 56 8.721 4.488 -6.269 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.104 3.635 -5.660 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.210 5.047 -4.628 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.664 4.237 -3.114 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.687 3.474 -4.352 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.568 1.525 -3.520 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.950 1.927 -4.519 1.00 0.00 H new ATOM 0 HE ARG A 56 10.765 2.162 -1.568 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.541 3.037 -4.512 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.038 3.397 -3.646 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.701 2.628 -0.448 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.129 3.165 -1.340 1.00 0.00 H new ATOM 836 N TRP A 57 7.840 6.429 -5.021 1.00 0.00 N ATOM 837 CA TRP A 57 7.262 7.591 -4.367 1.00 0.00 C ATOM 838 C TRP A 57 6.709 7.145 -3.012 1.00 0.00 C ATOM 839 O TRP A 57 6.448 5.961 -2.803 1.00 0.00 O ATOM 840 CB TRP A 57 6.205 8.250 -5.255 1.00 0.00 C ATOM 841 CG TRP A 57 6.786 9.058 -6.418 1.00 0.00 C ATOM 842 CD1 TRP A 57 8.067 9.382 -6.639 1.00 0.00 C ATOM 843 CD2 TRP A 57 6.049 9.635 -7.517 1.00 0.00 C ATOM 844 NE1 TRP A 57 8.210 10.122 -7.795 1.00 0.00 N ATOM 845 CE2 TRP A 57 6.944 10.281 -8.346 1.00 0.00 C ATOM 846 CE3 TRP A 57 4.672 9.612 -7.801 1.00 0.00 C ATOM 847 CZ2 TRP A 57 6.560 10.952 -9.513 1.00 0.00 C ATOM 848 CZ3 TRP A 57 4.305 10.287 -8.971 1.00 0.00 C ATOM 849 CH2 TRP A 57 5.193 10.942 -9.816 1.00 0.00 C ATOM 0 H TRP A 57 7.187 5.663 -5.184 1.00 0.00 H new ATOM 0 HA TRP A 57 8.020 8.356 -4.199 1.00 0.00 H new ATOM 0 HB2 TRP A 57 5.548 7.478 -5.655 1.00 0.00 H new ATOM 0 HB3 TRP A 57 5.588 8.907 -4.642 1.00 0.00 H new ATOM 0 HD1 TRP A 57 8.885 9.099 -5.993 1.00 0.00 H new ATOM 0 HE1 TRP A 57 9.084 10.485 -8.175 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.954 9.113 -7.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 7.279 11.451 -10.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 3.258 10.300 -9.236 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.830 11.441 -10.702 1.00 0.00 H new ATOM 860 N LEU A 58 6.547 8.116 -2.126 1.00 0.00 N ATOM 861 CA LEU A 58 6.031 7.838 -0.796 1.00 0.00 C ATOM 862 C LEU A 58 4.532 8.145 -0.762 1.00 0.00 C ATOM 863 O LEU A 58 4.124 9.286 -0.974 1.00 0.00 O ATOM 864 CB LEU A 58 6.838 8.594 0.261 1.00 0.00 C ATOM 865 CG LEU A 58 6.354 8.448 1.705 1.00 0.00 C ATOM 866 CD1 LEU A 58 6.651 7.046 2.243 1.00 0.00 C ATOM 867 CD2 LEU A 58 6.948 9.541 2.596 1.00 0.00 C ATOM 0 H LEU A 58 6.764 9.097 -2.303 1.00 0.00 H new ATOM 0 HA LEU A 58 6.147 6.781 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.873 8.256 0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.835 9.653 0.003 1.00 0.00 H new ATOM 0 HG LEU A 58 5.272 8.576 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.297 6.968 3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.142 6.305 1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.726 6.865 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.588 9.414 3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.036 9.470 2.583 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.644 10.519 2.223 1.00 0.00 H new ATOM 879 N ILE A 59 3.754 7.107 -0.493 1.00 0.00 N ATOM 880 CA ILE A 59 2.310 7.252 -0.428 1.00 0.00 C ATOM 881 C ILE A 59 1.829 6.897 0.980 1.00 0.00 C ATOM 882 O ILE A 59 2.557 6.273 1.750 1.00 0.00 O ATOM 883 CB ILE A 59 1.639 6.432 -1.532 1.00 0.00 C ATOM 884 CG1 ILE A 59 1.996 4.949 -1.408 1.00 0.00 C ATOM 885 CG2 ILE A 59 1.981 6.990 -2.915 1.00 0.00 C ATOM 886 CD1 ILE A 59 1.336 4.328 -0.175 1.00 0.00 C ATOM 0 H ILE A 59 4.096 6.162 -0.318 1.00 0.00 H new ATOM 0 HA ILE A 59 2.022 8.287 -0.612 1.00 0.00 H new ATOM 0 HB ILE A 59 0.559 6.515 -1.410 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.674 4.418 -2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.078 4.836 -1.342 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.491 6.389 -3.681 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.635 8.021 -2.987 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.060 6.958 -3.064 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.606 3.274 -0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.679 4.846 0.721 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.253 4.421 -0.256 1.00 0.00 H new ATOM 898 N ASP A 60 0.605 7.310 1.275 1.00 0.00 N ATOM 899 CA ASP A 60 0.018 7.044 2.577 1.00 0.00 C ATOM 900 C ASP A 60 -1.120 6.033 2.422 1.00 0.00 C ATOM 901 O ASP A 60 -1.977 6.187 1.553 1.00 0.00 O ATOM 902 CB ASP A 60 -0.563 8.319 3.191 1.00 0.00 C ATOM 903 CG ASP A 60 -1.704 8.958 2.396 1.00 0.00 C ATOM 904 OD1 ASP A 60 -1.388 9.638 1.396 1.00 0.00 O ATOM 905 OD2 ASP A 60 -2.867 8.751 2.806 1.00 0.00 O ATOM 0 H ASP A 60 0.003 7.827 0.634 1.00 0.00 H new ATOM 0 HA ASP A 60 0.802 6.656 3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.923 8.090 4.194 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.238 9.050 3.299 1.00 0.00 H new ATOM 910 N ASN A 61 -1.091 5.021 3.277 1.00 0.00 N ATOM 911 CA ASN A 61 -2.109 3.985 3.245 1.00 0.00 C ATOM 912 C ASN A 61 -3.105 4.221 4.382 1.00 0.00 C ATOM 913 O ASN A 61 -3.727 3.279 4.873 1.00 0.00 O ATOM 914 CB ASN A 61 -1.491 2.599 3.438 1.00 0.00 C ATOM 915 CG ASN A 61 -1.066 2.386 4.892 1.00 0.00 C ATOM 916 OD1 ASN A 61 -0.904 3.318 5.662 1.00 0.00 O ATOM 917 ND2 ASN A 61 -0.894 1.109 5.223 1.00 0.00 N ATOM 0 H ASN A 61 -0.378 4.897 3.996 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.603 4.027 2.274 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.211 1.833 3.150 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.627 2.488 2.783 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.610 0.862 6.171 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.047 0.377 4.529 1.00 0.00 H new ATOM 924 N GLY A 62 -3.226 5.482 4.769 1.00 0.00 N ATOM 925 CA GLY A 62 -4.136 5.853 5.839 1.00 0.00 C ATOM 926 C GLY A 62 -3.814 5.086 7.124 1.00 0.00 C ATOM 927 O GLY A 62 -4.702 4.819 7.931 1.00 0.00 O ATOM 0 H GLY A 62 -2.709 6.260 4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.067 6.925 6.024 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.163 5.647 5.536 1.00 0.00 H new ATOM 931 N VAL A 63 -2.540 4.754 7.273 1.00 0.00 N ATOM 932 CA VAL A 63 -2.089 4.023 8.445 1.00 0.00 C ATOM 933 C VAL A 63 -0.629 4.379 8.732 1.00 0.00 C ATOM 934 O VAL A 63 -0.284 4.741 9.856 1.00 0.00 O ATOM 935 CB VAL A 63 -2.311 2.523 8.243 1.00 0.00 C ATOM 936 CG1 VAL A 63 -1.835 1.730 9.462 1.00 0.00 C ATOM 937 CG2 VAL A 63 -3.778 2.222 7.932 1.00 0.00 C ATOM 0 H VAL A 63 -1.806 4.978 6.601 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.671 4.309 9.321 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.716 2.209 7.385 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.004 0.667 9.293 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.771 1.908 9.619 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.390 2.050 10.344 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.908 1.149 7.793 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.402 2.559 8.760 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.071 2.744 7.021 1.00 0.00 H new ATOM 947 N THR A 64 0.190 4.263 7.697 1.00 0.00 N ATOM 948 CA THR A 64 1.605 4.567 7.824 1.00 0.00 C ATOM 949 C THR A 64 2.147 5.140 6.513 1.00 0.00 C ATOM 950 O THR A 64 1.381 5.612 5.674 1.00 0.00 O ATOM 951 CB THR A 64 2.324 3.294 8.273 1.00 0.00 C ATOM 952 OG1 THR A 64 3.642 3.733 8.591 1.00 0.00 O ATOM 953 CG2 THR A 64 2.528 2.301 7.128 1.00 0.00 C ATOM 0 H THR A 64 -0.100 3.962 6.766 1.00 0.00 H new ATOM 0 HA THR A 64 1.778 5.337 8.576 1.00 0.00 H new ATOM 0 HB THR A 64 1.752 2.817 9.069 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.296 3.136 8.170 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.043 1.416 7.501 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.559 2.012 6.720 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.128 2.766 6.346 1.00 0.00 H new ATOM 961 N LYS A 65 3.463 5.080 6.377 1.00 0.00 N ATOM 962 CA LYS A 65 4.117 5.587 5.182 1.00 0.00 C ATOM 963 C LYS A 65 4.856 4.442 4.486 1.00 0.00 C ATOM 964 O LYS A 65 5.731 3.813 5.078 1.00 0.00 O ATOM 965 CB LYS A 65 5.012 6.778 5.526 1.00 0.00 C ATOM 966 CG LYS A 65 4.194 8.067 5.632 1.00 0.00 C ATOM 967 CD LYS A 65 4.937 9.123 6.453 1.00 0.00 C ATOM 968 CE LYS A 65 4.123 10.414 6.551 1.00 0.00 C ATOM 969 NZ LYS A 65 3.940 10.806 7.966 1.00 0.00 N ATOM 0 H LYS A 65 4.095 4.688 7.075 1.00 0.00 H new ATOM 0 HA LYS A 65 3.379 5.967 4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.526 6.591 6.469 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.780 6.893 4.761 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.989 8.455 4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.231 7.853 6.095 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.136 8.738 7.453 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.903 9.332 5.994 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.630 11.212 6.009 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.151 10.275 6.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.385 11.684 8.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.437 10.050 8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.869 10.959 8.407 1.00 0.00 H new ATOM 983 N GLY A 66 4.477 4.208 3.238 1.00 0.00 N ATOM 984 CA GLY A 66 5.093 3.151 2.455 1.00 0.00 C ATOM 985 C GLY A 66 5.647 3.696 1.137 1.00 0.00 C ATOM 986 O GLY A 66 5.256 4.775 0.695 1.00 0.00 O ATOM 0 H GLY A 66 3.751 4.733 2.750 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.897 2.690 3.029 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.360 2.371 2.250 1.00 0.00 H new ATOM 990 N PHE A 67 6.548 2.925 0.547 1.00 0.00 N ATOM 991 CA PHE A 67 7.160 3.317 -0.712 1.00 0.00 C ATOM 992 C PHE A 67 6.828 2.314 -1.818 1.00 0.00 C ATOM 993 O PHE A 67 7.107 1.123 -1.685 1.00 0.00 O ATOM 994 CB PHE A 67 8.673 3.331 -0.489 1.00 0.00 C ATOM 995 CG PHE A 67 9.186 4.586 0.221 1.00 0.00 C ATOM 996 CD1 PHE A 67 9.106 4.681 1.576 1.00 0.00 C ATOM 997 CD2 PHE A 67 9.721 5.606 -0.502 1.00 0.00 C ATOM 998 CE1 PHE A 67 9.582 5.845 2.235 1.00 0.00 C ATOM 999 CE2 PHE A 67 10.197 6.770 0.157 1.00 0.00 C ATOM 1000 CZ PHE A 67 10.118 6.865 1.512 1.00 0.00 C ATOM 0 H PHE A 67 6.869 2.031 0.917 1.00 0.00 H new ATOM 0 HA PHE A 67 6.786 4.293 -1.020 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.952 2.455 0.097 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.173 3.242 -1.453 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.681 3.871 2.150 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.784 5.531 -1.578 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.519 5.921 3.310 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.622 7.580 -0.417 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.481 7.750 2.013 1.00 0.00 H new ATOM 1010 N VAL A 68 6.238 2.832 -2.886 1.00 0.00 N ATOM 1011 CA VAL A 68 5.866 1.997 -4.014 1.00 0.00 C ATOM 1012 C VAL A 68 6.152 2.748 -5.316 1.00 0.00 C ATOM 1013 O VAL A 68 6.412 3.951 -5.298 1.00 0.00 O ATOM 1014 CB VAL A 68 4.405 1.561 -3.884 1.00 0.00 C ATOM 1015 CG1 VAL A 68 4.202 0.686 -2.646 1.00 0.00 C ATOM 1016 CG2 VAL A 68 3.472 2.773 -3.858 1.00 0.00 C ATOM 0 H VAL A 68 6.009 3.820 -2.993 1.00 0.00 H new ATOM 0 HA VAL A 68 6.463 1.085 -4.027 1.00 0.00 H new ATOM 0 HB VAL A 68 4.154 0.964 -4.761 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.155 0.390 -2.577 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.826 -0.204 -2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.479 1.248 -1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.440 2.436 -3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.724 3.408 -3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.587 3.340 -4.782 1.00 0.00 H new ATOM 1026 N TYR A 69 6.095 2.009 -6.414 1.00 0.00 N ATOM 1027 CA TYR A 69 6.345 2.591 -7.722 1.00 0.00 C ATOM 1028 C TYR A 69 5.042 3.065 -8.369 1.00 0.00 C ATOM 1029 O TYR A 69 4.071 2.313 -8.441 1.00 0.00 O ATOM 1030 CB TYR A 69 6.945 1.470 -8.574 1.00 0.00 C ATOM 1031 CG TYR A 69 8.179 0.811 -7.955 1.00 0.00 C ATOM 1032 CD1 TYR A 69 9.201 1.592 -7.456 1.00 0.00 C ATOM 1033 CD2 TYR A 69 8.269 -0.565 -7.896 1.00 0.00 C ATOM 1034 CE1 TYR A 69 10.363 0.971 -6.874 1.00 0.00 C ATOM 1035 CE2 TYR A 69 9.431 -1.186 -7.314 1.00 0.00 C ATOM 1036 CZ TYR A 69 10.420 -0.387 -6.831 1.00 0.00 C ATOM 1037 OH TYR A 69 11.517 -0.974 -6.281 1.00 0.00 O ATOM 0 H TYR A 69 5.879 1.012 -6.425 1.00 0.00 H new ATOM 0 HA TYR A 69 7.007 3.453 -7.639 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.184 0.708 -8.741 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.212 1.873 -9.551 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.130 2.669 -7.502 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.468 -1.176 -8.286 1.00 0.00 H new ATOM 0 HE1 TYR A 69 11.171 1.570 -6.481 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.515 -2.261 -7.262 1.00 0.00 H new ATOM 0 HH TYR A 69 11.420 -1.948 -6.317 1.00 0.00 H new ATOM 1047 N SER A 70 5.063 4.310 -8.823 1.00 0.00 N ATOM 1048 CA SER A 70 3.895 4.893 -9.461 1.00 0.00 C ATOM 1049 C SER A 70 3.238 3.868 -10.387 1.00 0.00 C ATOM 1050 O SER A 70 2.030 3.916 -10.614 1.00 0.00 O ATOM 1051 CB SER A 70 4.268 6.154 -10.244 1.00 0.00 C ATOM 1052 OG SER A 70 5.439 5.965 -11.034 1.00 0.00 O ATOM 0 H SER A 70 5.870 4.931 -8.762 1.00 0.00 H new ATOM 0 HA SER A 70 3.186 5.177 -8.683 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.437 6.439 -10.890 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.429 6.978 -9.549 1.00 0.00 H new ATOM 0 HG SER A 70 5.643 6.791 -11.520 1.00 0.00 H new ATOM 1058 N SER A 71 4.063 2.965 -10.898 1.00 0.00 N ATOM 1059 CA SER A 71 3.577 1.931 -11.795 1.00 0.00 C ATOM 1060 C SER A 71 2.518 1.081 -11.089 1.00 0.00 C ATOM 1061 O SER A 71 1.449 0.830 -11.642 1.00 0.00 O ATOM 1062 CB SER A 71 4.724 1.047 -12.289 1.00 0.00 C ATOM 1063 OG SER A 71 4.777 0.986 -13.711 1.00 0.00 O ATOM 0 H SER A 71 5.064 2.929 -10.708 1.00 0.00 H new ATOM 0 HA SER A 71 3.127 2.414 -12.662 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.669 1.433 -11.907 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.605 0.041 -11.887 1.00 0.00 H new ATOM 0 HG SER A 71 5.523 0.414 -13.986 1.00 0.00 H new ATOM 1069 N PHE A 72 2.853 0.662 -9.877 1.00 0.00 N ATOM 1070 CA PHE A 72 1.945 -0.154 -9.090 1.00 0.00 C ATOM 1071 C PHE A 72 0.755 0.671 -8.595 1.00 0.00 C ATOM 1072 O PHE A 72 -0.179 0.129 -8.006 1.00 0.00 O ATOM 1073 CB PHE A 72 2.734 -0.663 -7.882 1.00 0.00 C ATOM 1074 CG PHE A 72 3.467 -1.983 -8.129 1.00 0.00 C ATOM 1075 CD1 PHE A 72 2.771 -3.151 -8.166 1.00 0.00 C ATOM 1076 CD2 PHE A 72 4.815 -1.989 -8.312 1.00 0.00 C ATOM 1077 CE1 PHE A 72 3.452 -4.376 -8.395 1.00 0.00 C ATOM 1078 CE2 PHE A 72 5.495 -3.214 -8.541 1.00 0.00 C ATOM 1079 CZ PHE A 72 4.799 -4.382 -8.578 1.00 0.00 C ATOM 0 H PHE A 72 3.741 0.873 -9.421 1.00 0.00 H new ATOM 0 HA PHE A 72 1.558 -0.972 -9.698 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.461 0.095 -7.590 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.051 -0.790 -7.042 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.701 -3.147 -8.021 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.368 -1.062 -8.283 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.899 -5.303 -8.424 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.565 -3.218 -8.686 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.316 -5.314 -8.753 1.00 0.00 H new ATOM 1089 N LEU A 73 0.827 1.969 -8.854 1.00 0.00 N ATOM 1090 CA LEU A 73 -0.232 2.874 -8.443 1.00 0.00 C ATOM 1091 C LEU A 73 -0.905 3.463 -9.685 1.00 0.00 C ATOM 1092 O LEU A 73 -0.353 3.400 -10.782 1.00 0.00 O ATOM 1093 CB LEU A 73 0.310 3.930 -7.478 1.00 0.00 C ATOM 1094 CG LEU A 73 0.967 3.399 -6.202 1.00 0.00 C ATOM 1095 CD1 LEU A 73 1.742 4.505 -5.484 1.00 0.00 C ATOM 1096 CD2 LEU A 73 -0.065 2.736 -5.289 1.00 0.00 C ATOM 0 H LEU A 73 1.603 2.415 -9.344 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.000 2.334 -7.889 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.039 4.541 -8.011 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.511 4.589 -7.193 1.00 0.00 H new ATOM 0 HG LEU A 73 1.688 2.631 -6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.199 4.101 -4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.520 4.891 -6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.060 5.312 -5.216 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.428 2.367 -4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.827 3.464 -5.012 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.533 1.903 -5.813 1.00 0.00 H new ATOM 1108 N LYS A 74 -2.087 4.022 -9.470 1.00 0.00 N ATOM 1109 CA LYS A 74 -2.840 4.621 -10.558 1.00 0.00 C ATOM 1110 C LYS A 74 -3.409 5.965 -10.099 1.00 0.00 C ATOM 1111 O LYS A 74 -3.662 6.163 -8.912 1.00 0.00 O ATOM 1112 CB LYS A 74 -3.902 3.648 -11.074 1.00 0.00 C ATOM 1113 CG LYS A 74 -4.808 3.172 -9.938 1.00 0.00 C ATOM 1114 CD LYS A 74 -6.265 3.558 -10.200 1.00 0.00 C ATOM 1115 CE LYS A 74 -7.027 2.407 -10.859 1.00 0.00 C ATOM 1116 NZ LYS A 74 -8.380 2.847 -11.268 1.00 0.00 N ATOM 0 H LYS A 74 -2.541 4.073 -8.558 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.187 4.824 -11.407 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.502 4.134 -11.843 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.418 2.790 -11.542 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.728 2.090 -9.833 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.476 3.609 -8.996 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.748 3.828 -9.261 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.302 4.438 -10.842 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.476 2.049 -11.729 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.105 1.570 -10.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.883 2.053 -11.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.909 3.166 -10.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.300 3.631 -11.947 1.00 0.00 H new ATOM 1130 N PRO A 75 -3.598 6.878 -11.089 1.00 0.00 N ATOM 1131 CA PRO A 75 -4.132 8.197 -10.799 1.00 0.00 C ATOM 1132 C PRO A 75 -5.636 8.132 -10.525 1.00 0.00 C ATOM 1133 O PRO A 75 -6.431 7.954 -11.446 1.00 0.00 O ATOM 1134 CB PRO A 75 -3.786 9.038 -12.017 1.00 0.00 C ATOM 1135 CG PRO A 75 -3.486 8.051 -13.134 1.00 0.00 C ATOM 1136 CD PRO A 75 -3.309 6.678 -12.507 1.00 0.00 C ATOM 0 HA PRO A 75 -3.706 8.634 -9.896 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.614 9.693 -12.287 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.925 9.677 -11.819 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.299 8.037 -13.860 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.584 8.345 -13.671 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.988 5.950 -12.951 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.297 6.302 -12.656 1.00 0.00 H new ATOM 1144 N TYR A 76 -5.980 8.279 -9.254 1.00 0.00 N ATOM 1145 CA TYR A 76 -7.375 8.239 -8.847 1.00 0.00 C ATOM 1146 C TYR A 76 -8.222 9.188 -9.698 1.00 0.00 C ATOM 1147 O TYR A 76 -7.714 9.815 -10.626 1.00 0.00 O ATOM 1148 CB TYR A 76 -7.403 8.714 -7.393 1.00 0.00 C ATOM 1149 CG TYR A 76 -8.680 8.336 -6.640 1.00 0.00 C ATOM 1150 CD1 TYR A 76 -8.907 7.022 -6.283 1.00 0.00 C ATOM 1151 CD2 TYR A 76 -9.605 9.308 -6.317 1.00 0.00 C ATOM 1152 CE1 TYR A 76 -10.109 6.666 -5.574 1.00 0.00 C ATOM 1153 CE2 TYR A 76 -10.806 8.952 -5.608 1.00 0.00 C ATOM 1154 CZ TYR A 76 -10.999 7.648 -5.272 1.00 0.00 C ATOM 1155 OH TYR A 76 -12.134 7.312 -4.602 1.00 0.00 O ATOM 0 H TYR A 76 -5.317 8.426 -8.493 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.782 7.235 -8.967 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.546 8.294 -6.868 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.289 9.798 -7.373 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.183 6.261 -6.535 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.428 10.336 -6.596 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.299 5.642 -5.289 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.537 9.703 -5.349 1.00 0.00 H new ATOM 0 HH TYR A 76 -11.958 6.537 -4.028 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.498 9.262 -9.351 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.420 10.124 -10.071 1.00 0.00 C ATOM 1167 C ASN A 77 -11.682 10.329 -9.230 1.00 0.00 C ATOM 1168 O ASN A 77 -12.647 9.578 -9.360 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.836 9.494 -11.402 1.00 0.00 C ATOM 1170 CG ASN A 77 -10.769 10.518 -12.537 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -9.792 10.618 -13.261 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -11.860 11.271 -12.652 1.00 0.00 N ATOM 0 H ASN A 77 -9.915 8.739 -8.581 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.917 11.072 -10.262 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.184 8.651 -11.629 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -11.849 9.101 -11.321 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -11.913 11.984 -13.380 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.643 11.135 -12.013 1.00 0.00 H new ATOM 1179 N PRO A 78 -11.632 11.377 -8.365 1.00 0.00 N ATOM 1180 CA PRO A 78 -12.759 11.690 -7.503 1.00 0.00 C ATOM 1181 C PRO A 78 -13.887 12.354 -8.296 1.00 0.00 C ATOM 1182 O PRO A 78 -14.914 12.724 -7.729 1.00 0.00 O ATOM 1183 CB PRO A 78 -12.187 12.589 -6.419 1.00 0.00 C ATOM 1184 CG PRO A 78 -10.874 13.121 -6.968 1.00 0.00 C ATOM 1185 CD PRO A 78 -10.506 12.288 -8.185 1.00 0.00 C ATOM 0 HA PRO A 78 -13.214 10.801 -7.066 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -12.872 13.404 -6.186 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.027 12.033 -5.495 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -10.972 14.172 -7.240 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -10.091 13.059 -6.212 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -10.360 12.915 -9.064 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -9.576 11.742 -8.025 1.00 0.00 H new ATOM 1193 N ARG A 79 -13.659 12.483 -9.594 1.00 0.00 N ATOM 1194 CA ARG A 79 -14.643 13.095 -10.470 1.00 0.00 C ATOM 1195 C ARG A 79 -14.871 14.555 -10.074 1.00 0.00 C ATOM 1196 O ARG A 79 -15.162 14.850 -8.916 1.00 0.00 O ATOM 1197 CB ARG A 79 -15.975 12.344 -10.412 1.00 0.00 C ATOM 1198 CG ARG A 79 -17.001 12.973 -11.357 1.00 0.00 C ATOM 1199 CD ARG A 79 -18.361 13.120 -10.671 1.00 0.00 C ATOM 1200 NE ARG A 79 -19.377 12.315 -11.385 1.00 0.00 N ATOM 1201 CZ ARG A 79 -19.451 10.978 -11.330 1.00 0.00 C ATOM 1202 NH1 ARG A 79 -18.569 10.288 -10.594 1.00 0.00 N ATOM 1203 NH2 ARG A 79 -20.407 10.331 -12.011 1.00 0.00 N ATOM 0 H ARG A 79 -12.806 12.174 -10.061 1.00 0.00 H new ATOM 0 HA ARG A 79 -14.256 13.047 -11.488 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.820 11.299 -10.682 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -16.359 12.356 -9.392 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.647 13.951 -11.685 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -17.105 12.356 -12.250 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -18.291 12.795 -9.633 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.659 14.168 -10.657 1.00 0.00 H new ATOM 0 HE ARG A 79 -20.064 12.809 -11.955 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -17.841 10.780 -10.076 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -18.625 9.270 -10.552 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -21.078 10.856 -12.571 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -20.463 9.313 -11.969 1.00 0.00 H new ATOM 1217 N ARG A 80 -14.729 15.431 -11.059 1.00 0.00 N ATOM 1218 CA ARG A 80 -14.916 16.853 -10.828 1.00 0.00 C ATOM 1219 C ARG A 80 -14.005 17.331 -9.695 1.00 0.00 C ATOM 1220 O ARG A 80 -13.443 16.519 -8.961 1.00 0.00 O ATOM 1221 CB ARG A 80 -16.370 17.167 -10.470 1.00 0.00 C ATOM 1222 CG ARG A 80 -17.321 16.681 -11.566 1.00 0.00 C ATOM 1223 CD ARG A 80 -17.698 17.824 -12.511 1.00 0.00 C ATOM 1224 NE ARG A 80 -17.457 17.422 -13.915 1.00 0.00 N ATOM 1225 CZ ARG A 80 -18.306 16.683 -14.641 1.00 0.00 C ATOM 1226 NH1 ARG A 80 -19.458 16.261 -14.101 1.00 0.00 N ATOM 1227 NH2 ARG A 80 -18.004 16.365 -15.907 1.00 0.00 N ATOM 0 H ARG A 80 -14.487 15.183 -12.018 1.00 0.00 H new ATOM 0 HA ARG A 80 -14.660 17.375 -11.750 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -16.626 16.691 -9.524 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -16.490 18.241 -10.329 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -16.849 15.877 -12.132 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -18.222 16.266 -11.113 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -18.747 18.088 -12.375 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -17.112 18.712 -12.273 1.00 0.00 H new ATOM 0 HE ARG A 80 -16.590 17.727 -14.357 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -19.688 16.503 -13.137 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -20.104 15.698 -14.654 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.127 16.686 -16.318 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -18.651 15.802 -16.460 1.00 0.00 H new ATOM 1241 N SER A 81 -13.889 18.646 -9.587 1.00 0.00 N ATOM 1242 CA SER A 81 -13.056 19.242 -8.556 1.00 0.00 C ATOM 1243 C SER A 81 -13.519 20.672 -8.270 1.00 0.00 C ATOM 1244 O SER A 81 -13.720 21.459 -9.194 1.00 0.00 O ATOM 1245 CB SER A 81 -11.582 19.232 -8.965 1.00 0.00 C ATOM 1246 OG SER A 81 -10.784 18.465 -8.068 1.00 0.00 O ATOM 0 H SER A 81 -14.358 19.316 -10.197 1.00 0.00 H new ATOM 0 HA SER A 81 -13.157 18.647 -7.648 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.488 18.825 -9.972 1.00 0.00 H new ATOM 0 HB3 SER A 81 -11.208 20.255 -8.998 1.00 0.00 H new ATOM 0 HG SER A 81 -9.850 18.482 -8.365 1.00 0.00 H new ATOM 1252 N HIS A 82 -13.674 20.965 -6.988 1.00 0.00 N ATOM 1253 CA HIS A 82 -14.109 22.286 -6.569 1.00 0.00 C ATOM 1254 C HIS A 82 -12.889 23.146 -6.233 1.00 0.00 C ATOM 1255 O HIS A 82 -11.754 22.678 -6.313 1.00 0.00 O ATOM 1256 CB HIS A 82 -15.103 22.189 -5.410 1.00 0.00 C ATOM 1257 CG HIS A 82 -16.550 22.159 -5.843 1.00 0.00 C ATOM 1258 ND1 HIS A 82 -17.498 23.037 -5.350 1.00 0.00 N ATOM 1259 CD2 HIS A 82 -17.198 21.348 -6.727 1.00 0.00 C ATOM 1260 CE1 HIS A 82 -18.662 22.758 -5.918 1.00 0.00 C ATOM 1261 NE2 HIS A 82 -18.475 21.710 -6.771 1.00 0.00 N ATOM 0 H HIS A 82 -13.506 20.310 -6.225 1.00 0.00 H new ATOM 0 HA HIS A 82 -14.640 22.774 -7.387 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -14.888 21.289 -4.835 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -14.951 23.038 -4.743 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -16.749 20.547 -7.295 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -19.595 23.270 -5.737 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -19.196 21.276 -7.347 1.00 0.00 H new ATOM 1269 N SER A 83 -13.164 24.389 -5.864 1.00 0.00 N ATOM 1270 CA SER A 83 -12.103 25.318 -5.516 1.00 0.00 C ATOM 1271 C SER A 83 -11.315 24.787 -4.317 1.00 0.00 C ATOM 1272 O SER A 83 -11.841 24.711 -3.208 1.00 0.00 O ATOM 1273 CB SER A 83 -12.666 26.707 -5.208 1.00 0.00 C ATOM 1274 OG SER A 83 -13.393 26.728 -3.982 1.00 0.00 O ATOM 0 H SER A 83 -14.106 24.774 -5.799 1.00 0.00 H new ATOM 0 HA SER A 83 -11.434 25.409 -6.371 1.00 0.00 H new ATOM 0 HB2 SER A 83 -11.849 27.427 -5.157 1.00 0.00 H new ATOM 0 HB3 SER A 83 -13.319 27.023 -6.022 1.00 0.00 H new ATOM 0 HG SER A 83 -13.049 26.031 -3.386 1.00 0.00 H new ATOM 1280 N ASP A 84 -10.065 24.433 -4.580 1.00 0.00 N ATOM 1281 CA ASP A 84 -9.200 23.911 -3.536 1.00 0.00 C ATOM 1282 C ASP A 84 -8.165 24.973 -3.159 1.00 0.00 C ATOM 1283 O ASP A 84 -7.346 25.368 -3.988 1.00 0.00 O ATOM 1284 CB ASP A 84 -8.448 22.667 -4.015 1.00 0.00 C ATOM 1285 CG ASP A 84 -7.596 22.870 -5.269 1.00 0.00 C ATOM 1286 OD1 ASP A 84 -8.174 23.321 -6.281 1.00 0.00 O ATOM 1287 OD2 ASP A 84 -6.386 22.568 -5.188 1.00 0.00 O ATOM 0 H ASP A 84 -9.631 24.498 -5.501 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.823 23.649 -2.681 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.803 22.318 -3.209 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.172 21.876 -4.210 1.00 0.00 H new ATOM 1292 N ALA A 85 -8.236 25.405 -1.909 1.00 0.00 N ATOM 1293 CA ALA A 85 -7.315 26.414 -1.412 1.00 0.00 C ATOM 1294 C ALA A 85 -5.881 25.893 -1.533 1.00 0.00 C ATOM 1295 O ALA A 85 -5.666 24.719 -1.831 1.00 0.00 O ATOM 1296 CB ALA A 85 -7.684 26.778 0.027 1.00 0.00 C ATOM 0 H ALA A 85 -8.917 25.075 -1.225 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.386 27.325 -2.007 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.993 27.535 0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -8.701 27.170 0.054 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.621 25.889 0.655 1.00 0.00 H new ATOM 1302 N SER A 86 -4.938 26.792 -1.295 1.00 0.00 N ATOM 1303 CA SER A 86 -3.530 26.438 -1.373 1.00 0.00 C ATOM 1304 C SER A 86 -3.181 25.991 -2.794 1.00 0.00 C ATOM 1305 O SER A 86 -4.042 25.502 -3.524 1.00 0.00 O ATOM 1306 CB SER A 86 -3.183 25.337 -0.370 1.00 0.00 C ATOM 1307 OG SER A 86 -3.619 25.658 0.948 1.00 0.00 O ATOM 0 H SER A 86 -5.120 27.765 -1.048 1.00 0.00 H new ATOM 0 HA SER A 86 -2.941 27.320 -1.121 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.643 24.401 -0.686 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.105 25.177 -0.366 1.00 0.00 H new ATOM 0 HG SER A 86 -3.380 24.929 1.558 1.00 0.00 H new ATOM 1313 N SER A 87 -1.917 26.175 -3.145 1.00 0.00 N ATOM 1314 CA SER A 87 -1.444 25.797 -4.465 1.00 0.00 C ATOM 1315 C SER A 87 0.080 25.919 -4.530 1.00 0.00 C ATOM 1316 O SER A 87 0.756 25.034 -5.052 1.00 0.00 O ATOM 1317 CB SER A 87 -2.091 26.660 -5.550 1.00 0.00 C ATOM 1318 OG SER A 87 -1.990 28.051 -5.258 1.00 0.00 O ATOM 0 H SER A 87 -1.206 26.581 -2.537 1.00 0.00 H new ATOM 0 HA SER A 87 -1.728 24.760 -4.645 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.614 26.455 -6.508 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.141 26.387 -5.652 1.00 0.00 H new ATOM 0 HG SER A 87 -2.413 28.567 -5.975 1.00 0.00 H new ATOM 1324 N GLY A 88 0.577 27.022 -3.990 1.00 0.00 N ATOM 1325 CA GLY A 88 2.009 27.271 -3.980 1.00 0.00 C ATOM 1326 C GLY A 88 2.341 28.526 -3.171 1.00 0.00 C ATOM 1327 O GLY A 88 1.571 29.485 -3.160 1.00 0.00 O ATOM 0 H GLY A 88 0.014 27.753 -3.556 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.528 26.412 -3.555 1.00 0.00 H new ATOM 0 HA3 GLY A 88 2.369 27.387 -5.002 1.00 0.00 H new ATOM 1331 N PRO A 89 3.520 28.479 -2.495 1.00 0.00 N ATOM 1332 CA PRO A 89 3.965 29.600 -1.685 1.00 0.00 C ATOM 1333 C PRO A 89 4.475 30.743 -2.564 1.00 0.00 C ATOM 1334 O PRO A 89 4.498 30.627 -3.788 1.00 0.00 O ATOM 1335 CB PRO A 89 5.038 29.027 -0.774 1.00 0.00 C ATOM 1336 CG PRO A 89 5.482 27.725 -1.420 1.00 0.00 C ATOM 1337 CD PRO A 89 4.459 27.360 -2.484 1.00 0.00 C ATOM 0 HA PRO A 89 3.159 30.041 -1.099 1.00 0.00 H new ATOM 0 HB2 PRO A 89 5.875 29.718 -0.673 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.647 28.852 0.228 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.471 27.837 -1.864 1.00 0.00 H new ATOM 0 HG3 PRO A 89 5.555 26.934 -0.674 1.00 0.00 H new ATOM 0 HD2 PRO A 89 4.930 27.229 -3.458 1.00 0.00 H new ATOM 0 HD3 PRO A 89 3.956 26.423 -2.245 1.00 0.00 H new ATOM 1345 N SER A 90 4.872 31.822 -1.905 1.00 0.00 N ATOM 1346 CA SER A 90 5.381 32.985 -2.611 1.00 0.00 C ATOM 1347 C SER A 90 6.883 33.133 -2.362 1.00 0.00 C ATOM 1348 O SER A 90 7.356 32.916 -1.247 1.00 0.00 O ATOM 1349 CB SER A 90 4.644 34.256 -2.183 1.00 0.00 C ATOM 1350 OG SER A 90 4.507 35.182 -3.257 1.00 0.00 O ATOM 0 H SER A 90 4.851 31.915 -0.889 1.00 0.00 H new ATOM 0 HA SER A 90 5.209 32.839 -3.677 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.657 33.992 -1.804 1.00 0.00 H new ATOM 0 HB3 SER A 90 5.184 34.729 -1.363 1.00 0.00 H new ATOM 0 HG SER A 90 4.030 35.979 -2.943 1.00 0.00 H new ATOM 1356 N SER A 91 7.593 33.502 -3.418 1.00 0.00 N ATOM 1357 CA SER A 91 9.032 33.682 -3.328 1.00 0.00 C ATOM 1358 C SER A 91 9.358 34.814 -2.352 1.00 0.00 C ATOM 1359 O SER A 91 8.498 35.638 -2.043 1.00 0.00 O ATOM 1360 CB SER A 91 9.638 33.974 -4.702 1.00 0.00 C ATOM 1361 OG SER A 91 9.208 35.231 -5.219 1.00 0.00 O ATOM 0 H SER A 91 7.198 33.681 -4.341 1.00 0.00 H new ATOM 0 HA SER A 91 9.470 32.755 -2.958 1.00 0.00 H new ATOM 0 HB2 SER A 91 10.725 33.965 -4.628 1.00 0.00 H new ATOM 0 HB3 SER A 91 9.360 33.182 -5.397 1.00 0.00 H new ATOM 0 HG SER A 91 9.618 35.381 -6.096 1.00 0.00 H new ATOM 1367 N GLY A 92 10.601 34.819 -1.894 1.00 0.00 N ATOM 1368 CA GLY A 92 11.051 35.837 -0.960 1.00 0.00 C ATOM 1369 C GLY A 92 12.568 36.019 -1.037 1.00 0.00 C ATOM 1370 O GLY A 92 13.212 36.321 -0.033 1.00 0.00 O ATOM 0 H GLY A 92 11.311 34.134 -2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 92 10.556 36.783 -1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.766 35.557 0.054 1.00 0.00 H new TER 1374 GLY A 92