USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 564 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+ -127:sc= 0.0553 (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 180:sc= 0 USER MOD Single : A 14 CYS SG : rot -74:sc= -5.32! USER MOD Single : A 22 ASN : amide:sc= -1.38 K(o=-1.4,f=-5.2!) USER MOD Single : A 23 GLN : amide:sc=-7.31e-06 X(o=-7.3e-06,f=-0.48) USER MOD Single : A 25 ASN : amide:sc= -0.0727 X(o=-0.073,f=-0.11) USER MOD Single : A 36 SER OG : rot 46:sc= 0.105 USER MOD Single : A 38 LYS NZ :NH3+ -157:sc= -0.0119 (180deg=-0.259) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -170:sc= -1.46 USER MOD Single : A 49 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.061) USER MOD Single : A 50 TYR OH : rot 30:sc= -0.502 USER MOD Single : A 54 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.5!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00686 USER MOD Single : A 63 HIS :FLIP no HE2:sc= -1.14 F(o=-2.6!,f=-1.1) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 163:sc= -0.0153 (180deg=-0.19) USER MOD Single : A 79 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0271) USER MOD Single : A 80 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.356 -8.991 4.664 1.00 0.00 N ATOM 2 CA GLY A 1 25.974 -9.231 4.286 1.00 0.00 C ATOM 3 C GLY A 1 25.018 -8.803 5.401 1.00 0.00 C ATOM 4 O GLY A 1 25.350 -7.937 6.210 1.00 0.00 O ATOM 0 H1 GLY A 1 27.826 -8.430 3.925 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.384 -8.471 5.564 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.849 -9.900 4.774 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.742 -8.682 3.373 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.832 -10.289 4.067 1.00 0.00 H new ATOM 8 N SER A 2 23.850 -9.428 5.410 1.00 0.00 N ATOM 9 CA SER A 2 22.845 -9.123 6.414 1.00 0.00 C ATOM 10 C SER A 2 22.332 -7.694 6.222 1.00 0.00 C ATOM 11 O SER A 2 23.008 -6.734 6.587 1.00 0.00 O ATOM 12 CB SER A 2 23.404 -9.301 7.826 1.00 0.00 C ATOM 13 OG SER A 2 23.933 -10.608 8.030 1.00 0.00 O ATOM 0 H SER A 2 23.577 -10.145 4.738 1.00 0.00 H new ATOM 0 HA SER A 2 22.016 -9.820 6.291 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.186 -8.562 8.002 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.616 -9.111 8.555 1.00 0.00 H new ATOM 0 HG SER A 2 24.282 -10.681 8.943 1.00 0.00 H new ATOM 18 N SER A 3 21.140 -7.599 5.651 1.00 0.00 N ATOM 19 CA SER A 3 20.529 -6.303 5.406 1.00 0.00 C ATOM 20 C SER A 3 19.055 -6.482 5.034 1.00 0.00 C ATOM 21 O SER A 3 18.596 -7.604 4.821 1.00 0.00 O ATOM 22 CB SER A 3 21.267 -5.546 4.302 1.00 0.00 C ATOM 23 OG SER A 3 20.837 -5.943 3.003 1.00 0.00 O ATOM 0 H SER A 3 20.581 -8.398 5.351 1.00 0.00 H new ATOM 0 HA SER A 3 20.598 -5.714 6.320 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.105 -4.475 4.426 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.339 -5.719 4.398 1.00 0.00 H new ATOM 0 HG SER A 3 21.331 -5.435 2.326 1.00 0.00 H new ATOM 28 N GLY A 4 18.355 -5.360 4.967 1.00 0.00 N ATOM 29 CA GLY A 4 16.942 -5.378 4.624 1.00 0.00 C ATOM 30 C GLY A 4 16.744 -5.245 3.113 1.00 0.00 C ATOM 31 O GLY A 4 17.601 -4.707 2.415 1.00 0.00 O ATOM 0 H GLY A 4 18.739 -4.432 5.144 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.491 -6.307 4.973 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.429 -4.563 5.135 1.00 0.00 H new ATOM 35 N SER A 5 15.606 -5.745 2.652 1.00 0.00 N ATOM 36 CA SER A 5 15.283 -5.687 1.237 1.00 0.00 C ATOM 37 C SER A 5 14.002 -4.879 1.024 1.00 0.00 C ATOM 38 O SER A 5 13.206 -4.716 1.947 1.00 0.00 O ATOM 39 CB SER A 5 15.127 -7.092 0.651 1.00 0.00 C ATOM 40 OG SER A 5 16.333 -7.847 0.744 1.00 0.00 O ATOM 0 H SER A 5 14.897 -6.192 3.234 1.00 0.00 H new ATOM 0 HA SER A 5 16.105 -5.194 0.719 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.329 -7.617 1.176 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.826 -7.018 -0.394 1.00 0.00 H new ATOM 0 HG SER A 5 16.192 -8.738 0.361 1.00 0.00 H new ATOM 45 N SER A 6 13.843 -4.394 -0.199 1.00 0.00 N ATOM 46 CA SER A 6 12.672 -3.606 -0.544 1.00 0.00 C ATOM 47 C SER A 6 11.496 -4.530 -0.866 1.00 0.00 C ATOM 48 O SER A 6 11.673 -5.568 -1.502 1.00 0.00 O ATOM 49 CB SER A 6 12.960 -2.682 -1.729 1.00 0.00 C ATOM 50 OG SER A 6 13.435 -1.406 -1.308 1.00 0.00 O ATOM 0 H SER A 6 14.505 -4.531 -0.963 1.00 0.00 H new ATOM 0 HA SER A 6 12.414 -2.984 0.313 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.700 -3.147 -2.380 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.052 -2.554 -2.318 1.00 0.00 H new ATOM 0 HG SER A 6 13.609 -0.846 -2.093 1.00 0.00 H new ATOM 55 N GLY A 7 10.321 -4.120 -0.411 1.00 0.00 N ATOM 56 CA GLY A 7 9.116 -4.898 -0.643 1.00 0.00 C ATOM 57 C GLY A 7 9.397 -6.396 -0.515 1.00 0.00 C ATOM 58 O GLY A 7 9.393 -6.941 0.588 1.00 0.00 O ATOM 0 H GLY A 7 10.178 -3.259 0.117 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.347 -4.606 0.073 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.725 -4.681 -1.637 1.00 0.00 H new ATOM 62 N GLY A 8 9.636 -7.021 -1.660 1.00 0.00 N ATOM 63 CA GLY A 8 9.919 -8.445 -1.690 1.00 0.00 C ATOM 64 C GLY A 8 8.665 -9.247 -2.043 1.00 0.00 C ATOM 65 O GLY A 8 8.534 -9.742 -3.161 1.00 0.00 O ATOM 0 H GLY A 8 9.639 -6.566 -2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.702 -8.648 -2.420 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.298 -8.764 -0.719 1.00 0.00 H new ATOM 69 N GLU A 9 7.774 -9.350 -1.067 1.00 0.00 N ATOM 70 CA GLU A 9 6.534 -10.082 -1.261 1.00 0.00 C ATOM 71 C GLU A 9 5.365 -9.323 -0.631 1.00 0.00 C ATOM 72 O GLU A 9 5.408 -8.976 0.548 1.00 0.00 O ATOM 73 CB GLU A 9 6.639 -11.498 -0.691 1.00 0.00 C ATOM 74 CG GLU A 9 6.494 -11.488 0.832 1.00 0.00 C ATOM 75 CD GLU A 9 7.323 -12.604 1.470 1.00 0.00 C ATOM 76 OE1 GLU A 9 6.853 -13.761 1.419 1.00 0.00 O ATOM 77 OE2 GLU A 9 8.409 -12.275 1.995 1.00 0.00 O ATOM 0 H GLU A 9 7.886 -8.939 -0.140 1.00 0.00 H new ATOM 0 HA GLU A 9 6.350 -10.169 -2.332 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.866 -12.129 -1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.599 -11.934 -0.966 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.814 -10.523 1.225 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.445 -11.610 1.102 1.00 0.00 H new ATOM 82 N ILE A 10 4.346 -9.087 -1.446 1.00 0.00 N ATOM 83 CA ILE A 10 3.168 -8.374 -0.985 1.00 0.00 C ATOM 84 C ILE A 10 2.301 -9.321 -0.151 1.00 0.00 C ATOM 85 O ILE A 10 1.760 -10.295 -0.672 1.00 0.00 O ATOM 86 CB ILE A 10 2.428 -7.740 -2.164 1.00 0.00 C ATOM 87 CG1 ILE A 10 3.194 -6.532 -2.706 1.00 0.00 C ATOM 88 CG2 ILE A 10 0.991 -7.383 -1.781 1.00 0.00 C ATOM 89 CD1 ILE A 10 3.094 -5.344 -1.746 1.00 0.00 C ATOM 0 H ILE A 10 4.313 -9.378 -2.423 1.00 0.00 H new ATOM 0 HA ILE A 10 3.453 -7.545 -0.337 1.00 0.00 H new ATOM 0 HB ILE A 10 2.374 -8.474 -2.968 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.241 -6.797 -2.854 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.795 -6.251 -3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.487 -6.934 -2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.460 -8.286 -1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.001 -6.674 -0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.647 -4.498 -2.155 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.048 -5.066 -1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.516 -5.620 -0.780 1.00 0.00 H new ATOM 100 N ILE A 11 2.194 -9.000 1.131 1.00 0.00 N ATOM 101 CA ILE A 11 1.400 -9.808 2.041 1.00 0.00 C ATOM 102 C ILE A 11 0.232 -8.974 2.572 1.00 0.00 C ATOM 103 O ILE A 11 0.192 -7.760 2.376 1.00 0.00 O ATOM 104 CB ILE A 11 2.284 -10.398 3.141 1.00 0.00 C ATOM 105 CG1 ILE A 11 2.673 -9.330 4.165 1.00 0.00 C ATOM 106 CG2 ILE A 11 3.510 -11.094 2.545 1.00 0.00 C ATOM 107 CD1 ILE A 11 1.543 -9.097 5.169 1.00 0.00 C ATOM 0 H ILE A 11 2.644 -8.192 1.560 1.00 0.00 H new ATOM 0 HA ILE A 11 0.969 -10.661 1.516 1.00 0.00 H new ATOM 0 HB ILE A 11 1.708 -11.157 3.671 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.575 -9.638 4.693 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.907 -8.397 3.652 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.122 -11.505 3.348 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.186 -11.900 1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.096 -10.373 1.975 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.845 -8.333 5.886 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.649 -8.765 4.640 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.328 -10.026 5.697 1.00 0.00 H new ATOM 118 N GLU A 12 -0.690 -9.659 3.232 1.00 0.00 N ATOM 119 CA GLU A 12 -1.855 -8.997 3.792 1.00 0.00 C ATOM 120 C GLU A 12 -1.461 -8.181 5.024 1.00 0.00 C ATOM 121 O GLU A 12 -0.896 -8.719 5.976 1.00 0.00 O ATOM 122 CB GLU A 12 -2.950 -10.009 4.133 1.00 0.00 C ATOM 123 CG GLU A 12 -3.395 -10.775 2.886 1.00 0.00 C ATOM 124 CD GLU A 12 -4.327 -11.932 3.256 1.00 0.00 C ATOM 125 OE1 GLU A 12 -4.085 -12.537 4.322 1.00 0.00 O ATOM 126 OE2 GLU A 12 -5.260 -12.183 2.464 1.00 0.00 O ATOM 0 H GLU A 12 -0.654 -10.666 3.391 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.256 -8.316 3.042 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.582 -10.710 4.883 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.804 -9.493 4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.905 -10.097 2.201 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.521 -11.161 2.361 1.00 0.00 H new ATOM 131 N GLY A 13 -1.773 -6.894 4.968 1.00 0.00 N ATOM 132 CA GLY A 13 -1.459 -5.998 6.068 1.00 0.00 C ATOM 133 C GLY A 13 -0.519 -4.880 5.613 1.00 0.00 C ATOM 134 O GLY A 13 -0.526 -3.789 6.179 1.00 0.00 O ATOM 0 H GLY A 13 -2.240 -6.450 4.177 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.378 -5.566 6.464 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.996 -6.560 6.879 1.00 0.00 H new ATOM 138 N CYS A 14 0.269 -5.192 4.594 1.00 0.00 N ATOM 139 CA CYS A 14 1.213 -4.226 4.056 1.00 0.00 C ATOM 140 C CYS A 14 0.446 -2.953 3.697 1.00 0.00 C ATOM 141 O CYS A 14 -0.645 -3.018 3.133 1.00 0.00 O ATOM 142 CB CYS A 14 1.976 -4.790 2.856 1.00 0.00 C ATOM 143 SG CYS A 14 3.352 -5.852 3.430 1.00 0.00 S ATOM 0 H CYS A 14 0.273 -6.099 4.127 1.00 0.00 H new ATOM 0 HA CYS A 14 1.968 -3.994 4.807 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.301 -5.366 2.224 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.365 -3.975 2.246 1.00 0.00 H new ATOM 0 HG CYS A 14 4.304 -5.108 3.909 1.00 0.00 H new ATOM 148 N ARG A 15 1.047 -1.822 4.040 1.00 0.00 N ATOM 149 CA ARG A 15 0.434 -0.534 3.761 1.00 0.00 C ATOM 150 C ARG A 15 1.258 0.232 2.724 1.00 0.00 C ATOM 151 O ARG A 15 2.439 0.497 2.938 1.00 0.00 O ATOM 152 CB ARG A 15 0.318 0.307 5.034 1.00 0.00 C ATOM 153 CG ARG A 15 -0.984 0.002 5.777 1.00 0.00 C ATOM 154 CD ARG A 15 -1.263 1.054 6.852 1.00 0.00 C ATOM 155 NE ARG A 15 -1.093 0.462 8.197 1.00 0.00 N ATOM 156 CZ ARG A 15 0.082 0.375 8.836 1.00 0.00 C ATOM 157 NH1 ARG A 15 1.196 0.844 8.258 1.00 0.00 N ATOM 158 NH2 ARG A 15 0.141 -0.179 10.055 1.00 0.00 N ATOM 0 H ARG A 15 1.952 -1.771 4.508 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.566 -0.720 3.370 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.168 0.106 5.686 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.356 1.366 4.779 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.812 -0.028 5.069 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.922 -0.985 6.236 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.586 1.899 6.730 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.277 1.439 6.741 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.921 0.097 8.667 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.150 1.268 7.331 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.090 0.778 8.745 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.708 -0.534 10.496 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.035 -0.246 10.542 1.00 0.00 H new ATOM 169 N LEU A 16 0.600 0.567 1.624 1.00 0.00 N ATOM 170 CA LEU A 16 1.257 1.298 0.554 1.00 0.00 C ATOM 171 C LEU A 16 0.231 2.185 -0.156 1.00 0.00 C ATOM 172 O LEU A 16 -0.963 1.892 -0.144 1.00 0.00 O ATOM 173 CB LEU A 16 1.988 0.335 -0.382 1.00 0.00 C ATOM 174 CG LEU A 16 1.470 -1.105 -0.403 1.00 0.00 C ATOM 175 CD1 LEU A 16 -0.057 -1.139 -0.329 1.00 0.00 C ATOM 176 CD2 LEU A 16 2.002 -1.862 -1.621 1.00 0.00 C ATOM 0 H LEU A 16 -0.381 0.346 1.451 1.00 0.00 H new ATOM 0 HA LEU A 16 2.025 1.958 0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.934 0.734 -1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.041 0.317 -0.102 1.00 0.00 H new ATOM 0 HG LEU A 16 1.847 -1.616 0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.399 -2.174 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.387 -0.662 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.475 -0.605 -1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.619 -2.882 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.676 -1.360 -2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.091 -1.883 -1.589 1.00 0.00 H new ATOM 187 N PRO A 17 0.749 3.281 -0.774 1.00 0.00 N ATOM 188 CA PRO A 17 -0.108 4.213 -1.487 1.00 0.00 C ATOM 189 C PRO A 17 -0.558 3.627 -2.827 1.00 0.00 C ATOM 190 O PRO A 17 0.258 3.417 -3.722 1.00 0.00 O ATOM 191 CB PRO A 17 0.725 5.474 -1.640 1.00 0.00 C ATOM 192 CG PRO A 17 2.169 5.051 -1.423 1.00 0.00 C ATOM 193 CD PRO A 17 2.158 3.661 -0.809 1.00 0.00 C ATOM 0 HA PRO A 17 -1.034 4.426 -0.954 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.591 5.912 -2.629 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.426 6.230 -0.913 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.712 5.047 -2.368 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.679 5.755 -0.765 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.742 2.960 -1.406 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.591 3.667 0.191 1.00 0.00 H new ATOM 198 N VAL A 18 -1.857 3.381 -2.922 1.00 0.00 N ATOM 199 CA VAL A 18 -2.426 2.825 -4.137 1.00 0.00 C ATOM 200 C VAL A 18 -2.951 3.962 -5.017 1.00 0.00 C ATOM 201 O VAL A 18 -3.935 4.614 -4.672 1.00 0.00 O ATOM 202 CB VAL A 18 -3.502 1.794 -3.788 1.00 0.00 C ATOM 203 CG1 VAL A 18 -4.229 1.312 -5.044 1.00 0.00 C ATOM 204 CG2 VAL A 18 -2.903 0.617 -3.015 1.00 0.00 C ATOM 0 H VAL A 18 -2.531 3.557 -2.177 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.662 2.297 -4.709 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.235 2.280 -3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.988 0.580 -4.767 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.705 2.160 -5.537 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.513 0.852 -5.725 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.688 -0.101 -2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.139 0.133 -3.624 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.454 0.980 -2.090 1.00 0.00 H new ATOM 214 N LEU A 19 -2.271 4.164 -6.136 1.00 0.00 N ATOM 215 CA LEU A 19 -2.656 5.210 -7.067 1.00 0.00 C ATOM 216 C LEU A 19 -4.106 4.990 -7.504 1.00 0.00 C ATOM 217 O LEU A 19 -4.492 3.873 -7.842 1.00 0.00 O ATOM 218 CB LEU A 19 -1.667 5.281 -8.232 1.00 0.00 C ATOM 219 CG LEU A 19 -2.095 6.139 -9.424 1.00 0.00 C ATOM 220 CD1 LEU A 19 -1.342 7.470 -9.442 1.00 0.00 C ATOM 221 CD2 LEU A 19 -1.933 5.371 -10.738 1.00 0.00 C ATOM 0 H LEU A 19 -1.455 3.621 -6.419 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.613 6.185 -6.583 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.719 5.665 -7.855 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.481 4.267 -8.587 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.154 6.371 -9.314 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.666 8.060 -10.300 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.552 8.019 -8.524 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.271 7.281 -9.515 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.244 6.003 -11.570 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.888 5.088 -10.868 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.551 4.474 -10.713 1.00 0.00 H new ATOM 232 N ARG A 20 -4.868 6.073 -7.482 1.00 0.00 N ATOM 233 CA ARG A 20 -6.266 6.013 -7.870 1.00 0.00 C ATOM 234 C ARG A 20 -6.759 7.397 -8.298 1.00 0.00 C ATOM 235 O ARG A 20 -7.523 8.037 -7.577 1.00 0.00 O ATOM 236 CB ARG A 20 -7.137 5.502 -6.721 1.00 0.00 C ATOM 237 CG ARG A 20 -6.851 6.274 -5.432 1.00 0.00 C ATOM 238 CD ARG A 20 -7.966 6.059 -4.406 1.00 0.00 C ATOM 239 NE ARG A 20 -8.726 7.315 -4.214 1.00 0.00 N ATOM 240 CZ ARG A 20 -9.912 7.388 -3.596 1.00 0.00 C ATOM 241 NH1 ARG A 20 -10.482 6.279 -3.106 1.00 0.00 N ATOM 242 NH2 ARG A 20 -10.529 8.571 -3.467 1.00 0.00 N ATOM 0 H ARG A 20 -4.543 6.998 -7.201 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.347 5.320 -8.707 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.190 5.604 -6.985 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.950 4.440 -6.562 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.899 5.949 -5.013 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.756 7.337 -5.654 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.635 5.268 -4.744 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.540 5.733 -3.457 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.321 8.179 -4.575 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.013 5.379 -3.203 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.385 6.335 -2.635 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.095 9.416 -3.840 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.432 8.626 -2.996 1.00 0.00 H new ATOM 253 N ARG A 21 -6.302 7.818 -9.468 1.00 0.00 N ATOM 254 CA ARG A 21 -6.688 9.115 -9.999 1.00 0.00 C ATOM 255 C ARG A 21 -8.150 9.411 -9.665 1.00 0.00 C ATOM 256 O ARG A 21 -9.004 8.532 -9.762 1.00 0.00 O ATOM 257 CB ARG A 21 -6.497 9.166 -11.517 1.00 0.00 C ATOM 258 CG ARG A 21 -5.043 9.479 -11.877 1.00 0.00 C ATOM 259 CD ARG A 21 -4.865 9.587 -13.392 1.00 0.00 C ATOM 260 NE ARG A 21 -3.426 9.658 -13.729 1.00 0.00 N ATOM 261 CZ ARG A 21 -2.949 9.721 -14.979 1.00 0.00 C ATOM 262 NH1 ARG A 21 -3.794 9.720 -16.020 1.00 0.00 N ATOM 263 NH2 ARG A 21 -1.627 9.783 -15.191 1.00 0.00 N ATOM 0 H ARG A 21 -5.668 7.285 -10.063 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.048 9.867 -9.538 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.786 8.211 -11.956 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.153 9.925 -11.944 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.741 10.413 -11.404 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.391 8.698 -11.485 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.320 8.726 -13.882 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.378 10.474 -13.764 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.755 9.659 -12.961 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.800 9.671 -15.860 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.431 9.768 -16.972 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.983 9.782 -14.400 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.265 9.831 -16.143 1.00 0.00 H new ATOM 274 N ASN A 22 -8.394 10.655 -9.277 1.00 0.00 N ATOM 275 CA ASN A 22 -9.739 11.080 -8.928 1.00 0.00 C ATOM 276 C ASN A 22 -10.359 11.822 -10.114 1.00 0.00 C ATOM 277 O ASN A 22 -9.723 11.979 -11.155 1.00 0.00 O ATOM 278 CB ASN A 22 -9.723 12.032 -7.731 1.00 0.00 C ATOM 279 CG ASN A 22 -8.615 13.078 -7.877 1.00 0.00 C ATOM 280 OD1 ASN A 22 -8.624 13.908 -8.770 1.00 0.00 O ATOM 281 ND2 ASN A 22 -7.664 12.990 -6.952 1.00 0.00 N ATOM 0 H ASN A 22 -7.683 11.382 -9.197 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.318 10.192 -8.674 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.689 12.530 -7.645 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.574 11.465 -6.812 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.880 13.643 -6.963 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.718 12.270 -6.232 1.00 0.00 H new ATOM 287 N GLN A 23 -11.595 12.258 -9.918 1.00 0.00 N ATOM 288 CA GLN A 23 -12.308 12.980 -10.957 1.00 0.00 C ATOM 289 C GLN A 23 -11.387 14.010 -11.616 1.00 0.00 C ATOM 290 O GLN A 23 -11.104 13.920 -12.810 1.00 0.00 O ATOM 291 CB GLN A 23 -13.565 13.649 -10.397 1.00 0.00 C ATOM 292 CG GLN A 23 -14.789 13.318 -11.254 1.00 0.00 C ATOM 293 CD GLN A 23 -16.069 13.855 -10.610 1.00 0.00 C ATOM 294 OE1 GLN A 23 -16.256 13.808 -9.405 1.00 0.00 O ATOM 295 NE2 GLN A 23 -16.938 14.366 -11.478 1.00 0.00 N ATOM 0 H GLN A 23 -12.121 12.125 -9.054 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.624 12.265 -11.716 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.733 13.316 -9.373 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -13.422 14.729 -10.362 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -14.669 13.749 -12.248 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -14.867 12.238 -11.382 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -16.719 14.374 -12.474 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -17.823 14.750 -11.147 1.00 0.00 H new ATOM 302 N ASP A 24 -10.945 14.963 -10.810 1.00 0.00 N ATOM 303 CA ASP A 24 -10.061 16.008 -11.298 1.00 0.00 C ATOM 304 C ASP A 24 -8.992 15.385 -12.199 1.00 0.00 C ATOM 305 O ASP A 24 -8.474 16.043 -13.100 1.00 0.00 O ATOM 306 CB ASP A 24 -9.352 16.716 -10.142 1.00 0.00 C ATOM 307 CG ASP A 24 -10.258 17.576 -9.259 1.00 0.00 C ATOM 308 OD1 ASP A 24 -11.320 17.992 -9.770 1.00 0.00 O ATOM 309 OD2 ASP A 24 -9.868 17.798 -8.093 1.00 0.00 O ATOM 0 H ASP A 24 -11.183 15.034 -9.821 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.665 16.731 -11.846 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.868 15.965 -9.518 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.563 17.347 -10.551 1.00 0.00 H new ATOM 313 N ASN A 25 -8.694 14.124 -11.924 1.00 0.00 N ATOM 314 CA ASN A 25 -7.695 13.405 -12.698 1.00 0.00 C ATOM 315 C ASN A 25 -6.301 13.764 -12.181 1.00 0.00 C ATOM 316 O ASN A 25 -5.391 14.025 -12.967 1.00 0.00 O ATOM 317 CB ASN A 25 -7.764 13.789 -14.177 1.00 0.00 C ATOM 318 CG ASN A 25 -7.173 12.686 -15.057 1.00 0.00 C ATOM 319 OD1 ASN A 25 -7.840 11.740 -15.442 1.00 0.00 O ATOM 320 ND2 ASN A 25 -5.888 12.861 -15.353 1.00 0.00 N ATOM 0 H ASN A 25 -9.126 13.581 -11.176 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.890 12.338 -12.593 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.800 13.970 -14.462 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.221 14.720 -14.341 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.402 12.180 -15.936 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.389 13.676 -14.997 1.00 0.00 H new ATOM 326 N GLU A 26 -6.176 13.766 -10.861 1.00 0.00 N ATOM 327 CA GLU A 26 -4.907 14.089 -10.231 1.00 0.00 C ATOM 328 C GLU A 26 -4.311 12.843 -9.571 1.00 0.00 C ATOM 329 O GLU A 26 -4.740 12.443 -8.491 1.00 0.00 O ATOM 330 CB GLU A 26 -5.072 15.221 -9.214 1.00 0.00 C ATOM 331 CG GLU A 26 -5.512 16.515 -9.901 1.00 0.00 C ATOM 332 CD GLU A 26 -5.131 17.737 -9.065 1.00 0.00 C ATOM 333 OE1 GLU A 26 -5.162 17.607 -7.823 1.00 0.00 O ATOM 334 OE2 GLU A 26 -4.816 18.774 -9.687 1.00 0.00 O ATOM 0 H GLU A 26 -6.932 13.549 -10.212 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.218 14.434 -11.002 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.808 14.935 -8.463 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.130 15.385 -8.691 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.048 16.584 -10.885 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.591 16.499 -10.058 1.00 0.00 H new ATOM 339 N ASP A 27 -3.331 12.266 -10.250 1.00 0.00 N ATOM 340 CA ASP A 27 -2.670 11.074 -9.745 1.00 0.00 C ATOM 341 C ASP A 27 -2.465 11.212 -8.235 1.00 0.00 C ATOM 342 O ASP A 27 -1.581 11.940 -7.789 1.00 0.00 O ATOM 343 CB ASP A 27 -1.297 10.888 -10.393 1.00 0.00 C ATOM 344 CG ASP A 27 -0.238 11.909 -9.971 1.00 0.00 C ATOM 345 OD1 ASP A 27 -0.303 13.042 -10.498 1.00 0.00 O ATOM 346 OD2 ASP A 27 0.608 11.536 -9.133 1.00 0.00 O ATOM 0 H ASP A 27 -2.978 12.602 -11.146 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.298 10.215 -9.980 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.932 9.889 -10.155 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.414 10.935 -11.476 1.00 0.00 H new ATOM 350 N GLU A 28 -3.299 10.501 -7.490 1.00 0.00 N ATOM 351 CA GLU A 28 -3.220 10.535 -6.039 1.00 0.00 C ATOM 352 C GLU A 28 -2.410 9.344 -5.523 1.00 0.00 C ATOM 353 O GLU A 28 -2.045 8.457 -6.293 1.00 0.00 O ATOM 354 CB GLU A 28 -4.616 10.560 -5.415 1.00 0.00 C ATOM 355 CG GLU A 28 -4.556 11.012 -3.954 1.00 0.00 C ATOM 356 CD GLU A 28 -5.782 11.853 -3.590 1.00 0.00 C ATOM 357 OE1 GLU A 28 -6.096 12.770 -4.378 1.00 0.00 O ATOM 358 OE2 GLU A 28 -6.378 11.558 -2.531 1.00 0.00 O ATOM 0 H GLU A 28 -4.032 9.898 -7.864 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.709 11.452 -5.744 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.259 11.233 -5.981 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.062 9.567 -5.474 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.502 10.140 -3.302 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.649 11.593 -3.786 1.00 0.00 H new ATOM 363 N TRP A 29 -2.152 9.363 -4.224 1.00 0.00 N ATOM 364 CA TRP A 29 -1.392 8.295 -3.597 1.00 0.00 C ATOM 365 C TRP A 29 -1.885 8.147 -2.156 1.00 0.00 C ATOM 366 O TRP A 29 -1.135 8.387 -1.211 1.00 0.00 O ATOM 367 CB TRP A 29 0.111 8.566 -3.688 1.00 0.00 C ATOM 368 CG TRP A 29 0.658 8.559 -5.117 1.00 0.00 C ATOM 369 CD1 TRP A 29 0.914 9.610 -5.908 1.00 0.00 C ATOM 370 CD2 TRP A 29 1.009 7.397 -5.898 1.00 0.00 C ATOM 371 NE1 TRP A 29 1.403 9.212 -7.136 1.00 0.00 N ATOM 372 CE2 TRP A 29 1.462 7.823 -7.129 1.00 0.00 C ATOM 373 CE3 TRP A 29 0.946 6.030 -5.574 1.00 0.00 C ATOM 374 CZ2 TRP A 29 1.886 6.947 -8.136 1.00 0.00 C ATOM 375 CZ3 TRP A 29 1.374 5.167 -6.591 1.00 0.00 C ATOM 376 CH2 TRP A 29 1.833 5.581 -7.836 1.00 0.00 C ATOM 0 H TRP A 29 -2.456 10.101 -3.588 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.551 7.351 -4.119 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.324 9.533 -3.233 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.642 7.815 -3.103 1.00 0.00 H new ATOM 0 HD1 TRP A 29 0.757 10.639 -5.621 1.00 0.00 H new ATOM 0 HE1 TRP A 29 1.672 9.824 -7.906 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.595 5.674 -4.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.235 7.306 -9.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.345 4.106 -6.394 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.147 4.852 -8.568 1.00 0.00 H new ATOM 386 N PRO A 30 -3.177 7.742 -2.029 1.00 0.00 N ATOM 387 CA PRO A 30 -3.780 7.559 -0.720 1.00 0.00 C ATOM 388 C PRO A 30 -3.276 6.273 -0.059 1.00 0.00 C ATOM 389 O PRO A 30 -3.014 5.283 -0.740 1.00 0.00 O ATOM 390 CB PRO A 30 -5.279 7.548 -0.975 1.00 0.00 C ATOM 391 CG PRO A 30 -5.447 7.259 -2.458 1.00 0.00 C ATOM 392 CD PRO A 30 -4.096 7.449 -3.126 1.00 0.00 C ATOM 0 HA PRO A 30 -3.515 8.351 -0.020 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.773 6.787 -0.370 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.727 8.506 -0.710 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.808 6.242 -2.610 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.187 7.929 -2.896 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.793 6.553 -3.668 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.123 8.265 -3.849 1.00 0.00 H new ATOM 397 N LEU A 31 -3.156 6.332 1.258 1.00 0.00 N ATOM 398 CA LEU A 31 -2.689 5.185 2.018 1.00 0.00 C ATOM 399 C LEU A 31 -3.659 4.018 1.822 1.00 0.00 C ATOM 400 O LEU A 31 -4.870 4.184 1.954 1.00 0.00 O ATOM 401 CB LEU A 31 -2.473 5.565 3.484 1.00 0.00 C ATOM 402 CG LEU A 31 -1.375 4.797 4.223 1.00 0.00 C ATOM 403 CD1 LEU A 31 -1.792 3.346 4.470 1.00 0.00 C ATOM 404 CD2 LEU A 31 -0.043 4.891 3.475 1.00 0.00 C ATOM 0 H LEU A 31 -3.374 7.156 1.819 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.717 4.856 1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.240 6.629 3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.412 5.420 4.018 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.231 5.261 5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.994 2.823 4.997 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.699 3.326 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.980 2.854 3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.721 4.337 4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.155 4.467 2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.256 5.936 3.394 1.00 0.00 H new ATOM 415 N ALA A 32 -3.089 2.863 1.507 1.00 0.00 N ATOM 416 CA ALA A 32 -3.889 1.669 1.291 1.00 0.00 C ATOM 417 C ALA A 32 -3.228 0.483 1.995 1.00 0.00 C ATOM 418 O ALA A 32 -2.003 0.402 2.064 1.00 0.00 O ATOM 419 CB ALA A 32 -4.059 1.434 -0.211 1.00 0.00 C ATOM 0 H ALA A 32 -2.084 2.729 1.396 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.885 1.792 1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.659 0.539 -0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.559 2.292 -0.659 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.080 1.303 -0.672 1.00 0.00 H new ATOM 425 N GLU A 33 -4.068 -0.406 2.503 1.00 0.00 N ATOM 426 CA GLU A 33 -3.580 -1.584 3.200 1.00 0.00 C ATOM 427 C GLU A 33 -3.992 -2.853 2.450 1.00 0.00 C ATOM 428 O GLU A 33 -5.138 -2.983 2.024 1.00 0.00 O ATOM 429 CB GLU A 33 -4.084 -1.614 4.645 1.00 0.00 C ATOM 430 CG GLU A 33 -3.329 -2.660 5.467 1.00 0.00 C ATOM 431 CD GLU A 33 -4.067 -2.969 6.771 1.00 0.00 C ATOM 432 OE1 GLU A 33 -4.033 -2.093 7.663 1.00 0.00 O ATOM 433 OE2 GLU A 33 -4.647 -4.073 6.848 1.00 0.00 O ATOM 0 H GLU A 33 -5.084 -0.334 2.446 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.491 -1.540 3.230 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.959 -0.631 5.098 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.151 -1.837 4.657 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.216 -3.574 4.884 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.325 -2.298 5.690 1.00 0.00 H new ATOM 438 N ILE A 34 -3.033 -3.758 2.314 1.00 0.00 N ATOM 439 CA ILE A 34 -3.281 -5.012 1.623 1.00 0.00 C ATOM 440 C ILE A 34 -4.254 -5.858 2.446 1.00 0.00 C ATOM 441 O ILE A 34 -4.147 -5.920 3.670 1.00 0.00 O ATOM 442 CB ILE A 34 -1.961 -5.721 1.310 1.00 0.00 C ATOM 443 CG1 ILE A 34 -1.011 -4.797 0.545 1.00 0.00 C ATOM 444 CG2 ILE A 34 -2.208 -7.034 0.564 1.00 0.00 C ATOM 445 CD1 ILE A 34 -1.316 -4.816 -0.954 1.00 0.00 C ATOM 0 H ILE A 34 -2.084 -3.648 2.670 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.754 -4.829 0.658 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.476 -5.973 2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.103 -3.780 0.925 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.020 -5.109 0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.254 -7.518 0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.821 -7.692 1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.725 -6.828 -0.373 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.627 -4.151 -1.474 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.200 -5.830 -1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.339 -4.480 -1.121 1.00 0.00 H new ATOM 456 N LEU A 35 -5.182 -6.488 1.740 1.00 0.00 N ATOM 457 CA LEU A 35 -6.174 -7.329 2.390 1.00 0.00 C ATOM 458 C LEU A 35 -6.029 -8.765 1.884 1.00 0.00 C ATOM 459 O LEU A 35 -6.024 -9.708 2.675 1.00 0.00 O ATOM 460 CB LEU A 35 -7.576 -6.749 2.199 1.00 0.00 C ATOM 461 CG LEU A 35 -7.753 -5.280 2.589 1.00 0.00 C ATOM 462 CD1 LEU A 35 -9.209 -4.840 2.423 1.00 0.00 C ATOM 463 CD2 LEU A 35 -7.234 -5.023 4.005 1.00 0.00 C ATOM 0 H LEU A 35 -5.268 -6.433 0.725 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.007 -7.351 3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.855 -6.862 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.277 -7.346 2.782 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.154 -4.672 1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.307 -3.792 2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.510 -4.964 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.848 -5.450 3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.371 -3.972 4.258 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.786 -5.641 4.713 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.174 -5.273 4.055 1.00 0.00 H new ATOM 474 N SER A 36 -5.913 -8.889 0.570 1.00 0.00 N ATOM 475 CA SER A 36 -5.768 -10.194 -0.050 1.00 0.00 C ATOM 476 C SER A 36 -5.073 -10.055 -1.406 1.00 0.00 C ATOM 477 O SER A 36 -5.236 -9.045 -2.090 1.00 0.00 O ATOM 478 CB SER A 36 -7.126 -10.878 -0.218 1.00 0.00 C ATOM 479 OG SER A 36 -7.025 -12.297 -0.131 1.00 0.00 O ATOM 0 H SER A 36 -5.917 -8.105 -0.083 1.00 0.00 H new ATOM 0 HA SER A 36 -5.156 -10.816 0.603 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.811 -10.516 0.548 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.553 -10.604 -1.183 1.00 0.00 H new ATOM 0 HG SER A 36 -6.471 -12.539 0.640 1.00 0.00 H new ATOM 484 N VAL A 37 -4.313 -11.083 -1.753 1.00 0.00 N ATOM 485 CA VAL A 37 -3.592 -11.088 -3.015 1.00 0.00 C ATOM 486 C VAL A 37 -4.216 -12.128 -3.949 1.00 0.00 C ATOM 487 O VAL A 37 -5.032 -12.943 -3.521 1.00 0.00 O ATOM 488 CB VAL A 37 -2.102 -11.327 -2.766 1.00 0.00 C ATOM 489 CG1 VAL A 37 -1.321 -11.340 -4.081 1.00 0.00 C ATOM 490 CG2 VAL A 37 -1.534 -10.283 -1.801 1.00 0.00 C ATOM 0 H VAL A 37 -4.181 -11.918 -1.183 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.674 -10.118 -3.506 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.993 -12.307 -2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.265 -11.512 -3.875 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.700 -12.136 -4.721 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.441 -10.381 -4.585 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.473 -10.475 -1.640 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.662 -9.287 -2.225 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.062 -10.342 -0.849 1.00 0.00 H new ATOM 500 N LYS A 38 -3.807 -12.065 -5.208 1.00 0.00 N ATOM 501 CA LYS A 38 -4.316 -12.991 -6.206 1.00 0.00 C ATOM 502 C LYS A 38 -3.383 -12.989 -7.419 1.00 0.00 C ATOM 503 O LYS A 38 -2.352 -12.318 -7.413 1.00 0.00 O ATOM 504 CB LYS A 38 -5.770 -12.665 -6.548 1.00 0.00 C ATOM 505 CG LYS A 38 -6.559 -13.937 -6.864 1.00 0.00 C ATOM 506 CD LYS A 38 -7.057 -13.928 -8.311 1.00 0.00 C ATOM 507 CE LYS A 38 -8.545 -14.276 -8.380 1.00 0.00 C ATOM 508 NZ LYS A 38 -8.794 -15.609 -7.788 1.00 0.00 N ATOM 0 H LYS A 38 -3.130 -11.388 -5.560 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.327 -14.007 -5.812 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.235 -12.143 -5.712 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.803 -11.990 -7.404 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.929 -14.811 -6.698 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.407 -14.022 -6.184 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.889 -12.945 -8.751 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.485 -14.644 -8.901 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.126 -13.522 -7.849 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.879 -14.264 -9.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.679 -15.999 -8.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.006 -16.246 -8.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.873 -15.521 -6.755 1.00 0.00 H new ATOM 518 N ASP A 39 -3.779 -13.747 -8.431 1.00 0.00 N ATOM 519 CA ASP A 39 -2.991 -13.841 -9.648 1.00 0.00 C ATOM 520 C ASP A 39 -3.871 -14.375 -10.780 1.00 0.00 C ATOM 521 O ASP A 39 -4.438 -15.462 -10.671 1.00 0.00 O ATOM 522 CB ASP A 39 -1.814 -14.802 -9.470 1.00 0.00 C ATOM 523 CG ASP A 39 -1.279 -15.416 -10.766 1.00 0.00 C ATOM 524 OD1 ASP A 39 -0.467 -14.730 -11.425 1.00 0.00 O ATOM 525 OD2 ASP A 39 -1.693 -16.556 -11.068 1.00 0.00 O ATOM 0 H ASP A 39 -4.635 -14.302 -8.433 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.611 -12.846 -9.881 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.002 -14.270 -8.975 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.120 -15.608 -8.803 1.00 0.00 H new ATOM 529 N ILE A 40 -3.957 -13.588 -11.842 1.00 0.00 N ATOM 530 CA ILE A 40 -4.759 -13.967 -12.992 1.00 0.00 C ATOM 531 C ILE A 40 -4.020 -13.580 -14.275 1.00 0.00 C ATOM 532 O ILE A 40 -3.932 -12.400 -14.612 1.00 0.00 O ATOM 533 CB ILE A 40 -6.164 -13.371 -12.888 1.00 0.00 C ATOM 534 CG1 ILE A 40 -6.897 -13.903 -11.655 1.00 0.00 C ATOM 535 CG2 ILE A 40 -6.958 -13.608 -14.174 1.00 0.00 C ATOM 536 CD1 ILE A 40 -8.136 -13.062 -11.347 1.00 0.00 C ATOM 0 H ILE A 40 -3.484 -12.689 -11.930 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.899 -15.048 -13.018 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.068 -12.292 -12.764 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.189 -14.940 -11.821 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.225 -13.895 -10.797 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.953 -13.174 -14.073 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.442 -13.140 -15.012 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.046 -14.679 -14.355 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.638 -13.462 -10.466 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.838 -12.031 -11.158 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.817 -13.092 -12.198 1.00 0.00 H new ATOM 547 N SER A 41 -3.506 -14.595 -14.954 1.00 0.00 N ATOM 548 CA SER A 41 -2.777 -14.375 -16.191 1.00 0.00 C ATOM 549 C SER A 41 -1.547 -13.504 -15.926 1.00 0.00 C ATOM 550 O SER A 41 -1.362 -12.471 -16.568 1.00 0.00 O ATOM 551 CB SER A 41 -3.670 -13.724 -17.248 1.00 0.00 C ATOM 552 OG SER A 41 -3.540 -14.354 -18.520 1.00 0.00 O ATOM 0 H SER A 41 -3.580 -15.572 -14.671 1.00 0.00 H new ATOM 0 HA SER A 41 -2.453 -15.343 -16.574 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.710 -13.773 -16.924 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.414 -12.668 -17.339 1.00 0.00 H new ATOM 0 HG SER A 41 -4.128 -13.910 -19.167 1.00 0.00 H new ATOM 557 N GLY A 42 -0.736 -13.953 -14.979 1.00 0.00 N ATOM 558 CA GLY A 42 0.471 -13.228 -14.620 1.00 0.00 C ATOM 559 C GLY A 42 0.133 -11.857 -14.032 1.00 0.00 C ATOM 560 O GLY A 42 1.017 -11.022 -13.845 1.00 0.00 O ATOM 0 H GLY A 42 -0.891 -14.811 -14.449 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.045 -13.806 -13.896 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.101 -13.104 -15.501 1.00 0.00 H new ATOM 564 N ARG A 43 -1.150 -11.668 -13.755 1.00 0.00 N ATOM 565 CA ARG A 43 -1.616 -10.413 -13.190 1.00 0.00 C ATOM 566 C ARG A 43 -2.002 -10.602 -11.722 1.00 0.00 C ATOM 567 O ARG A 43 -3.080 -11.111 -11.420 1.00 0.00 O ATOM 568 CB ARG A 43 -2.821 -9.876 -13.962 1.00 0.00 C ATOM 569 CG ARG A 43 -3.029 -8.385 -13.687 1.00 0.00 C ATOM 570 CD ARG A 43 -4.113 -8.169 -12.629 1.00 0.00 C ATOM 571 NE ARG A 43 -5.374 -7.742 -13.275 1.00 0.00 N ATOM 572 CZ ARG A 43 -5.496 -6.644 -14.033 1.00 0.00 C ATOM 573 NH1 ARG A 43 -4.434 -5.854 -14.245 1.00 0.00 N ATOM 574 NH2 ARG A 43 -6.680 -6.335 -14.580 1.00 0.00 N ATOM 0 H ARG A 43 -1.880 -12.363 -13.911 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.801 -9.693 -13.265 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.673 -10.035 -15.030 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.716 -10.430 -13.678 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.093 -7.940 -13.350 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.310 -7.877 -14.610 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.275 -9.090 -12.070 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.788 -7.414 -11.913 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.203 -8.320 -13.134 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.533 -6.089 -13.829 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.527 -5.018 -14.822 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.488 -6.936 -14.419 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.773 -5.499 -15.157 1.00 0.00 H new ATOM 585 N LYS A 44 -1.100 -10.182 -10.847 1.00 0.00 N ATOM 586 CA LYS A 44 -1.333 -10.298 -9.418 1.00 0.00 C ATOM 587 C LYS A 44 -2.286 -9.189 -8.968 1.00 0.00 C ATOM 588 O LYS A 44 -2.077 -8.019 -9.285 1.00 0.00 O ATOM 589 CB LYS A 44 -0.005 -10.313 -8.658 1.00 0.00 C ATOM 590 CG LYS A 44 0.354 -11.731 -8.209 1.00 0.00 C ATOM 591 CD LYS A 44 0.587 -11.785 -6.698 1.00 0.00 C ATOM 592 CE LYS A 44 1.919 -11.132 -6.324 1.00 0.00 C ATOM 593 NZ LYS A 44 2.997 -12.145 -6.272 1.00 0.00 N ATOM 0 H LYS A 44 -0.206 -9.761 -11.101 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.817 -11.247 -9.188 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.787 -9.918 -9.294 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.072 -9.659 -7.789 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.448 -12.417 -8.482 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.250 -12.066 -8.731 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.228 -11.277 -6.183 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.580 -12.822 -6.362 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.171 -10.362 -7.053 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.829 -10.638 -5.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.894 -11.685 -6.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.762 -12.865 -5.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.093 -12.598 -7.203 1.00 0.00 H new ATOM 603 N LEU A 45 -3.314 -9.596 -8.237 1.00 0.00 N ATOM 604 CA LEU A 45 -4.300 -8.651 -7.742 1.00 0.00 C ATOM 605 C LEU A 45 -4.112 -8.469 -6.234 1.00 0.00 C ATOM 606 O LEU A 45 -3.619 -9.366 -5.553 1.00 0.00 O ATOM 607 CB LEU A 45 -5.711 -9.093 -8.136 1.00 0.00 C ATOM 608 CG LEU A 45 -6.429 -8.210 -9.158 1.00 0.00 C ATOM 609 CD1 LEU A 45 -5.430 -7.569 -10.126 1.00 0.00 C ATOM 610 CD2 LEU A 45 -7.516 -8.996 -9.895 1.00 0.00 C ATOM 0 H LEU A 45 -3.485 -10.567 -7.976 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.156 -7.674 -8.203 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.655 -10.105 -8.536 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.321 -9.140 -7.234 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.924 -7.401 -8.622 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.966 -6.946 -10.842 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.725 -6.954 -9.567 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.887 -8.350 -10.659 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.011 -8.345 -10.616 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.064 -9.839 -10.418 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.248 -9.365 -9.177 1.00 0.00 H new ATOM 621 N PHE A 46 -4.514 -7.300 -5.757 1.00 0.00 N ATOM 622 CA PHE A 46 -4.395 -6.988 -4.343 1.00 0.00 C ATOM 623 C PHE A 46 -5.543 -6.085 -3.883 1.00 0.00 C ATOM 624 O PHE A 46 -5.667 -4.951 -4.343 1.00 0.00 O ATOM 625 CB PHE A 46 -3.071 -6.244 -4.159 1.00 0.00 C ATOM 626 CG PHE A 46 -1.877 -6.922 -4.832 1.00 0.00 C ATOM 627 CD1 PHE A 46 -1.570 -6.630 -6.125 1.00 0.00 C ATOM 628 CD2 PHE A 46 -1.123 -7.816 -4.140 1.00 0.00 C ATOM 629 CE1 PHE A 46 -0.463 -7.259 -6.752 1.00 0.00 C ATOM 630 CE2 PHE A 46 -0.015 -8.446 -4.767 1.00 0.00 C ATOM 631 CZ PHE A 46 0.292 -8.154 -6.059 1.00 0.00 C ATOM 0 H PHE A 46 -4.922 -6.558 -6.325 1.00 0.00 H new ATOM 0 HA PHE A 46 -4.431 -7.905 -3.755 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.175 -5.235 -4.558 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.866 -6.146 -3.093 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.169 -5.919 -6.675 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.366 -8.047 -3.113 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.220 -7.027 -7.779 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.584 -9.157 -4.217 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.135 -8.632 -6.535 1.00 0.00 H new ATOM 640 N TYR A 47 -6.350 -6.622 -2.980 1.00 0.00 N ATOM 641 CA TYR A 47 -7.482 -5.880 -2.453 1.00 0.00 C ATOM 642 C TYR A 47 -7.034 -4.888 -1.378 1.00 0.00 C ATOM 643 O TYR A 47 -6.918 -5.245 -0.207 1.00 0.00 O ATOM 644 CB TYR A 47 -8.408 -6.918 -1.817 1.00 0.00 C ATOM 645 CG TYR A 47 -9.828 -6.409 -1.558 1.00 0.00 C ATOM 646 CD1 TYR A 47 -10.541 -5.806 -2.572 1.00 0.00 C ATOM 647 CD2 TYR A 47 -10.395 -6.553 -0.307 1.00 0.00 C ATOM 648 CE1 TYR A 47 -11.877 -5.328 -2.327 1.00 0.00 C ATOM 649 CE2 TYR A 47 -11.730 -6.075 -0.062 1.00 0.00 C ATOM 650 CZ TYR A 47 -12.406 -5.485 -1.085 1.00 0.00 C ATOM 651 OH TYR A 47 -13.667 -5.033 -0.853 1.00 0.00 O ATOM 0 H TYR A 47 -6.242 -7.562 -2.600 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.971 -5.313 -3.245 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.459 -7.791 -2.467 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.973 -7.248 -0.873 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.098 -5.692 -3.550 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.836 -7.025 0.488 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.446 -4.855 -3.113 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.185 -6.182 0.912 1.00 0.00 H new ATOM 0 HH TYR A 47 -13.855 -5.067 0.108 1.00 0.00 H new ATOM 660 N VAL A 48 -6.794 -3.659 -1.814 1.00 0.00 N ATOM 661 CA VAL A 48 -6.362 -2.613 -0.904 1.00 0.00 C ATOM 662 C VAL A 48 -7.574 -1.787 -0.470 1.00 0.00 C ATOM 663 O VAL A 48 -8.598 -1.775 -1.151 1.00 0.00 O ATOM 664 CB VAL A 48 -5.267 -1.768 -1.560 1.00 0.00 C ATOM 665 CG1 VAL A 48 -4.097 -2.644 -2.015 1.00 0.00 C ATOM 666 CG2 VAL A 48 -5.829 -0.954 -2.727 1.00 0.00 C ATOM 0 H VAL A 48 -6.891 -3.365 -2.786 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.925 -3.047 -0.004 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.891 -1.068 -0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.333 -2.019 -2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.672 -3.159 -1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.452 -3.378 -2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.031 -0.363 -3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.245 -1.629 -3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.612 -0.289 -2.363 1.00 0.00 H new ATOM 676 N HIS A 49 -7.419 -1.117 0.663 1.00 0.00 N ATOM 677 CA HIS A 49 -8.488 -0.290 1.195 1.00 0.00 C ATOM 678 C HIS A 49 -7.954 1.113 1.490 1.00 0.00 C ATOM 679 O HIS A 49 -7.059 1.280 2.317 1.00 0.00 O ATOM 680 CB HIS A 49 -9.127 -0.950 2.419 1.00 0.00 C ATOM 681 CG HIS A 49 -9.975 -0.016 3.249 1.00 0.00 C ATOM 682 ND1 HIS A 49 -11.040 0.695 2.723 1.00 0.00 N ATOM 683 CD2 HIS A 49 -9.907 0.313 4.570 1.00 0.00 C ATOM 684 CE1 HIS A 49 -11.579 1.419 3.692 1.00 0.00 C ATOM 685 NE2 HIS A 49 -10.875 1.181 4.837 1.00 0.00 N ATOM 0 H HIS A 49 -6.569 -1.130 1.227 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.280 -0.191 0.452 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -9.743 -1.786 2.088 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.339 -1.364 3.048 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -9.187 -0.068 5.279 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -12.426 2.081 3.594 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -11.062 1.601 5.748 1.00 0.00 H new ATOM 692 N TYR A 50 -8.527 2.087 0.798 1.00 0.00 N ATOM 693 CA TYR A 50 -8.120 3.471 0.975 1.00 0.00 C ATOM 694 C TYR A 50 -8.460 3.966 2.381 1.00 0.00 C ATOM 695 O TYR A 50 -9.586 4.389 2.639 1.00 0.00 O ATOM 696 CB TYR A 50 -8.922 4.280 -0.046 1.00 0.00 C ATOM 697 CG TYR A 50 -8.761 3.797 -1.489 1.00 0.00 C ATOM 698 CD1 TYR A 50 -7.518 3.815 -2.088 1.00 0.00 C ATOM 699 CD2 TYR A 50 -9.858 3.342 -2.192 1.00 0.00 C ATOM 700 CE1 TYR A 50 -7.366 3.359 -3.446 1.00 0.00 C ATOM 701 CE2 TYR A 50 -9.706 2.886 -3.549 1.00 0.00 C ATOM 702 CZ TYR A 50 -8.468 2.918 -4.109 1.00 0.00 C ATOM 703 OH TYR A 50 -8.325 2.488 -5.391 1.00 0.00 O ATOM 0 H TYR A 50 -9.270 1.945 0.114 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.044 3.575 0.838 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.977 4.241 0.223 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.616 5.325 0.013 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.659 4.171 -1.539 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.831 3.328 -1.724 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.399 3.367 -3.926 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -10.556 2.527 -4.109 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.427 2.115 -5.513 1.00 0.00 H new ATOM 712 N ILE A 51 -7.466 3.899 3.255 1.00 0.00 N ATOM 713 CA ILE A 51 -7.646 4.336 4.628 1.00 0.00 C ATOM 714 C ILE A 51 -7.541 5.861 4.692 1.00 0.00 C ATOM 715 O ILE A 51 -6.472 6.402 4.975 1.00 0.00 O ATOM 716 CB ILE A 51 -6.665 3.613 5.554 1.00 0.00 C ATOM 717 CG1 ILE A 51 -5.234 3.713 5.022 1.00 0.00 C ATOM 718 CG2 ILE A 51 -7.092 2.161 5.779 1.00 0.00 C ATOM 719 CD1 ILE A 51 -4.794 2.395 4.381 1.00 0.00 C ATOM 0 H ILE A 51 -6.533 3.548 3.038 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.641 4.069 4.985 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.683 4.108 6.525 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.170 4.517 4.289 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.556 3.969 5.836 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.378 1.670 6.440 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.082 2.139 6.234 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.120 1.638 4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.773 2.493 4.011 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.836 1.598 5.123 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.459 2.154 3.552 1.00 0.00 H new ATOM 730 N ASP A 52 -8.663 6.511 4.425 1.00 0.00 N ATOM 731 CA ASP A 52 -8.711 7.963 4.448 1.00 0.00 C ATOM 732 C ASP A 52 -10.131 8.429 4.122 1.00 0.00 C ATOM 733 O ASP A 52 -10.618 8.218 3.012 1.00 0.00 O ATOM 734 CB ASP A 52 -7.766 8.562 3.404 1.00 0.00 C ATOM 735 CG ASP A 52 -6.917 9.736 3.896 1.00 0.00 C ATOM 736 OD1 ASP A 52 -6.608 9.743 5.108 1.00 0.00 O ATOM 737 OD2 ASP A 52 -6.597 10.600 3.052 1.00 0.00 O ATOM 0 H ASP A 52 -9.547 6.059 4.191 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.408 8.294 5.442 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.100 7.777 3.046 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.356 8.893 2.550 1.00 0.00 H new ATOM 741 N PHE A 53 -10.757 9.052 5.110 1.00 0.00 N ATOM 742 CA PHE A 53 -12.112 9.550 4.942 1.00 0.00 C ATOM 743 C PHE A 53 -13.023 8.469 4.356 1.00 0.00 C ATOM 744 O PHE A 53 -12.583 7.345 4.114 1.00 0.00 O ATOM 745 CB PHE A 53 -12.039 10.724 3.963 1.00 0.00 C ATOM 746 CG PHE A 53 -12.252 12.091 4.617 1.00 0.00 C ATOM 747 CD1 PHE A 53 -13.448 12.393 5.189 1.00 0.00 C ATOM 748 CD2 PHE A 53 -11.245 13.005 4.625 1.00 0.00 C ATOM 749 CE1 PHE A 53 -13.644 13.663 5.795 1.00 0.00 C ATOM 750 CE2 PHE A 53 -11.441 14.273 5.230 1.00 0.00 C ATOM 751 CZ PHE A 53 -12.637 14.576 5.803 1.00 0.00 C ATOM 0 H PHE A 53 -10.351 9.223 6.030 1.00 0.00 H new ATOM 0 HA PHE A 53 -12.521 9.850 5.907 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -11.066 10.715 3.472 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -12.790 10.583 3.185 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -14.248 11.668 5.183 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.295 12.765 4.170 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -14.594 13.903 6.250 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -10.641 14.998 5.236 1.00 0.00 H new ATOM 0 HZ PHE A 53 -12.786 15.541 6.264 1.00 0.00 H new ATOM 760 N ASN A 54 -14.275 8.846 4.147 1.00 0.00 N ATOM 761 CA ASN A 54 -15.253 7.923 3.594 1.00 0.00 C ATOM 762 C ASN A 54 -15.426 6.740 4.548 1.00 0.00 C ATOM 763 O ASN A 54 -14.491 6.364 5.254 1.00 0.00 O ATOM 764 CB ASN A 54 -14.791 7.377 2.241 1.00 0.00 C ATOM 765 CG ASN A 54 -15.807 7.700 1.144 1.00 0.00 C ATOM 766 OD1 ASN A 54 -16.940 8.072 1.401 1.00 0.00 O ATOM 767 ND2 ASN A 54 -15.339 7.538 -0.091 1.00 0.00 N ATOM 0 H ASN A 54 -14.636 9.778 4.350 1.00 0.00 H new ATOM 0 HA ASN A 54 -16.191 8.463 3.463 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -13.823 7.806 1.983 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.653 6.298 2.308 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.940 7.728 -0.893 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.380 7.224 -0.236 1.00 0.00 H new ATOM 773 N ARG A 55 -16.629 6.185 4.538 1.00 0.00 N ATOM 774 CA ARG A 55 -16.938 5.051 5.394 1.00 0.00 C ATOM 775 C ARG A 55 -16.018 3.873 5.066 1.00 0.00 C ATOM 776 O ARG A 55 -15.141 3.527 5.855 1.00 0.00 O ATOM 777 CB ARG A 55 -18.394 4.616 5.228 1.00 0.00 C ATOM 778 CG ARG A 55 -19.243 5.072 6.416 1.00 0.00 C ATOM 779 CD ARG A 55 -20.439 5.903 5.949 1.00 0.00 C ATOM 780 NE ARG A 55 -21.488 5.015 5.397 1.00 0.00 N ATOM 781 CZ ARG A 55 -22.684 5.441 4.970 1.00 0.00 C ATOM 782 NH1 ARG A 55 -22.992 6.744 5.028 1.00 0.00 N ATOM 783 NH2 ARG A 55 -23.573 4.563 4.486 1.00 0.00 N ATOM 0 H ARG A 55 -17.402 6.499 3.951 1.00 0.00 H new ATOM 0 HA ARG A 55 -16.781 5.362 6.427 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -18.799 5.033 4.306 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -18.445 3.531 5.136 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -19.595 4.202 6.971 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -18.631 5.661 7.100 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -20.840 6.479 6.783 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -20.121 6.619 5.191 1.00 0.00 H new ATOM 0 HE ARG A 55 -21.287 4.017 5.338 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -22.315 7.412 5.397 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -23.903 7.068 4.703 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -23.339 3.571 4.443 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -24.484 4.886 4.161 1.00 0.00 H new ATOM 794 N ARG A 56 -16.252 3.289 3.899 1.00 0.00 N ATOM 795 CA ARG A 56 -15.456 2.157 3.456 1.00 0.00 C ATOM 796 C ARG A 56 -15.605 1.963 1.946 1.00 0.00 C ATOM 797 O ARG A 56 -16.679 2.185 1.390 1.00 0.00 O ATOM 798 CB ARG A 56 -15.879 0.872 4.173 1.00 0.00 C ATOM 799 CG ARG A 56 -14.678 0.190 4.830 1.00 0.00 C ATOM 800 CD ARG A 56 -15.106 -1.075 5.575 1.00 0.00 C ATOM 801 NE ARG A 56 -14.217 -1.303 6.737 1.00 0.00 N ATOM 802 CZ ARG A 56 -14.105 -0.463 7.774 1.00 0.00 C ATOM 803 NH1 ARG A 56 -14.827 0.666 7.802 1.00 0.00 N ATOM 804 NH2 ARG A 56 -13.274 -0.751 8.784 1.00 0.00 N ATOM 0 H ARG A 56 -16.981 3.579 3.247 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.414 2.368 3.698 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -16.629 1.103 4.929 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -16.344 0.190 3.461 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -13.939 -0.064 4.070 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -14.198 0.880 5.524 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -16.139 -0.978 5.910 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -15.068 -1.933 4.904 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.654 -2.154 6.748 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -15.461 0.885 7.034 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.742 1.306 8.592 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.726 -1.611 8.764 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.189 -0.111 9.573 1.00 0.00 H new ATOM 815 N LEU A 57 -14.509 1.551 1.324 1.00 0.00 N ATOM 816 CA LEU A 57 -14.503 1.325 -0.111 1.00 0.00 C ATOM 817 C LEU A 57 -14.017 -0.098 -0.396 1.00 0.00 C ATOM 818 O LEU A 57 -14.820 -0.988 -0.674 1.00 0.00 O ATOM 819 CB LEU A 57 -13.689 2.407 -0.821 1.00 0.00 C ATOM 820 CG LEU A 57 -14.099 3.853 -0.534 1.00 0.00 C ATOM 821 CD1 LEU A 57 -12.922 4.657 0.022 1.00 0.00 C ATOM 822 CD2 LEU A 57 -14.704 4.508 -1.777 1.00 0.00 C ATOM 0 H LEU A 57 -13.619 1.368 1.788 1.00 0.00 H new ATOM 0 HA LEU A 57 -15.513 1.404 -0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -12.642 2.286 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -13.757 2.238 -1.896 1.00 0.00 H new ATOM 0 HG LEU A 57 -14.873 3.843 0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.241 5.681 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -12.576 4.201 0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.109 4.662 -0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -14.987 5.535 -1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -13.970 4.506 -2.583 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -15.587 3.950 -2.089 1.00 0.00 H new ATOM 833 N ASP A 58 -12.705 -0.268 -0.318 1.00 0.00 N ATOM 834 CA ASP A 58 -12.103 -1.567 -0.565 1.00 0.00 C ATOM 835 C ASP A 58 -12.314 -1.952 -2.030 1.00 0.00 C ATOM 836 O ASP A 58 -13.450 -2.057 -2.490 1.00 0.00 O ATOM 837 CB ASP A 58 -12.748 -2.647 0.306 1.00 0.00 C ATOM 838 CG ASP A 58 -12.988 -2.245 1.763 1.00 0.00 C ATOM 839 OD1 ASP A 58 -14.049 -1.635 2.015 1.00 0.00 O ATOM 840 OD2 ASP A 58 -12.105 -2.558 2.591 1.00 0.00 O ATOM 0 H ASP A 58 -12.042 0.472 -0.087 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.042 -1.498 -0.327 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.702 -2.930 -0.139 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.113 -3.533 0.289 1.00 0.00 H new ATOM 844 N GLU A 59 -11.203 -2.153 -2.722 1.00 0.00 N ATOM 845 CA GLU A 59 -11.251 -2.525 -4.126 1.00 0.00 C ATOM 846 C GLU A 59 -9.953 -3.222 -4.536 1.00 0.00 C ATOM 847 O GLU A 59 -8.928 -3.072 -3.873 1.00 0.00 O ATOM 848 CB GLU A 59 -11.520 -1.303 -5.008 1.00 0.00 C ATOM 849 CG GLU A 59 -10.344 -0.327 -4.965 1.00 0.00 C ATOM 850 CD GLU A 59 -10.346 0.588 -6.192 1.00 0.00 C ATOM 851 OE1 GLU A 59 -11.270 1.426 -6.274 1.00 0.00 O ATOM 852 OE2 GLU A 59 -9.423 0.428 -7.020 1.00 0.00 O ATOM 0 H GLU A 59 -10.263 -2.065 -2.336 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.075 -3.224 -4.268 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.694 -1.623 -6.035 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.427 -0.800 -4.672 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.399 0.275 -4.058 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.407 -0.882 -4.923 1.00 0.00 H new ATOM 857 N TRP A 60 -10.039 -3.969 -5.627 1.00 0.00 N ATOM 858 CA TRP A 60 -8.883 -4.690 -6.133 1.00 0.00 C ATOM 859 C TRP A 60 -8.027 -3.706 -6.934 1.00 0.00 C ATOM 860 O TRP A 60 -8.555 -2.829 -7.614 1.00 0.00 O ATOM 861 CB TRP A 60 -9.313 -5.910 -6.949 1.00 0.00 C ATOM 862 CG TRP A 60 -9.956 -7.021 -6.117 1.00 0.00 C ATOM 863 CD1 TRP A 60 -11.252 -7.184 -5.818 1.00 0.00 C ATOM 864 CD2 TRP A 60 -9.274 -8.124 -5.483 1.00 0.00 C ATOM 865 NE1 TRP A 60 -11.454 -8.307 -5.042 1.00 0.00 N ATOM 866 CE2 TRP A 60 -10.214 -8.897 -4.831 1.00 0.00 C ATOM 867 CE3 TRP A 60 -7.908 -8.459 -5.461 1.00 0.00 C ATOM 868 CZ2 TRP A 60 -9.889 -10.052 -4.111 1.00 0.00 C ATOM 869 CZ3 TRP A 60 -7.601 -9.616 -4.736 1.00 0.00 C ATOM 870 CH2 TRP A 60 -8.535 -10.405 -4.075 1.00 0.00 C ATOM 0 H TRP A 60 -10.891 -4.091 -6.175 1.00 0.00 H new ATOM 0 HA TRP A 60 -8.284 -5.085 -5.312 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -10.018 -5.591 -7.716 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -8.442 -6.314 -7.465 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -12.039 -6.520 -6.143 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -12.350 -8.643 -4.688 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -7.155 -7.870 -5.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -10.643 -10.640 -3.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -6.565 -9.917 -4.687 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -8.218 -11.286 -3.536 1.00 0.00 H new ATOM 880 N VAL A 61 -6.719 -3.888 -6.826 1.00 0.00 N ATOM 881 CA VAL A 61 -5.784 -3.028 -7.532 1.00 0.00 C ATOM 882 C VAL A 61 -4.646 -3.877 -8.101 1.00 0.00 C ATOM 883 O VAL A 61 -4.606 -5.088 -7.891 1.00 0.00 O ATOM 884 CB VAL A 61 -5.293 -1.915 -6.603 1.00 0.00 C ATOM 885 CG1 VAL A 61 -6.455 -1.034 -6.140 1.00 0.00 C ATOM 886 CG2 VAL A 61 -4.534 -2.495 -5.408 1.00 0.00 C ATOM 0 H VAL A 61 -6.285 -4.618 -6.261 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.276 -2.538 -8.373 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.602 -1.288 -7.167 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.078 -0.251 -5.481 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.934 -0.579 -7.007 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.181 -1.643 -5.602 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.196 -1.684 -4.763 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.193 -3.156 -4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.672 -3.059 -5.764 1.00 0.00 H new ATOM 896 N THR A 62 -3.750 -3.208 -8.812 1.00 0.00 N ATOM 897 CA THR A 62 -2.615 -3.887 -9.414 1.00 0.00 C ATOM 898 C THR A 62 -1.319 -3.488 -8.705 1.00 0.00 C ATOM 899 O THR A 62 -1.332 -2.653 -7.802 1.00 0.00 O ATOM 900 CB THR A 62 -2.610 -3.567 -10.910 1.00 0.00 C ATOM 901 OG1 THR A 62 -2.589 -2.143 -10.961 1.00 0.00 O ATOM 902 CG2 THR A 62 -3.927 -3.944 -11.593 1.00 0.00 C ATOM 0 H THR A 62 -3.787 -2.203 -8.985 1.00 0.00 H new ATOM 0 HA THR A 62 -2.695 -4.968 -9.298 1.00 0.00 H new ATOM 0 HB THR A 62 -1.786 -4.095 -11.391 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.583 -1.849 -11.896 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.871 -3.696 -12.653 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.103 -5.014 -11.479 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.746 -3.391 -11.134 1.00 0.00 H new ATOM 910 N HIS A 63 -0.230 -4.107 -9.140 1.00 0.00 N ATOM 911 CA HIS A 63 1.072 -3.826 -8.557 1.00 0.00 C ATOM 912 C HIS A 63 1.575 -2.469 -9.052 1.00 0.00 C ATOM 913 O HIS A 63 2.462 -1.872 -8.444 1.00 0.00 O ATOM 914 CB HIS A 63 2.053 -4.964 -8.849 1.00 0.00 C ATOM 915 CG HIS A 63 3.501 -4.597 -8.631 1.00 0.00 C ATOM 916 ND1 HIS A 63 4.083 -3.771 -7.716 1.00 0.00 N flip ATOM 917 CD2 HIS A 63 4.528 -5.102 -9.410 1.00 0.00 C flip ATOM 918 CE1 HIS A 63 5.394 -3.771 -7.924 1.00 0.00 C flip ATOM 919 NE2 HIS A 63 5.671 -4.596 -8.973 1.00 0.00 N flip ATOM 0 H HIS A 63 -0.223 -4.801 -9.888 1.00 0.00 H new ATOM 0 HA HIS A 63 0.984 -3.767 -7.472 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.805 -5.815 -8.215 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.922 -5.287 -9.882 1.00 0.00 H new ATOM 0 HD1 HIS A 63 3.594 -3.242 -6.994 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.416 -5.791 -10.234 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.121 -3.210 -7.356 1.00 0.00 H new ATOM 926 N GLU A 64 0.986 -2.021 -10.152 1.00 0.00 N ATOM 927 CA GLU A 64 1.364 -0.746 -10.735 1.00 0.00 C ATOM 928 C GLU A 64 1.083 0.393 -9.752 1.00 0.00 C ATOM 929 O GLU A 64 1.865 1.336 -9.648 1.00 0.00 O ATOM 930 CB GLU A 64 0.639 -0.514 -12.063 1.00 0.00 C ATOM 931 CG GLU A 64 1.346 0.560 -12.893 1.00 0.00 C ATOM 932 CD GLU A 64 0.897 0.506 -14.354 1.00 0.00 C ATOM 933 OE1 GLU A 64 1.441 -0.352 -15.084 1.00 0.00 O ATOM 934 OE2 GLU A 64 0.022 1.324 -14.711 1.00 0.00 O ATOM 0 H GLU A 64 0.250 -2.519 -10.654 1.00 0.00 H new ATOM 0 HA GLU A 64 2.434 -0.767 -10.941 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.598 -1.446 -12.627 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.391 -0.212 -11.871 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.131 1.545 -12.479 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.425 0.418 -12.835 1.00 0.00 H new ATOM 939 N ARG A 65 -0.037 0.266 -9.056 1.00 0.00 N ATOM 940 CA ARG A 65 -0.432 1.272 -8.084 1.00 0.00 C ATOM 941 C ARG A 65 0.244 1.004 -6.738 1.00 0.00 C ATOM 942 O ARG A 65 0.389 1.911 -5.921 1.00 0.00 O ATOM 943 CB ARG A 65 -1.950 1.285 -7.891 1.00 0.00 C ATOM 944 CG ARG A 65 -2.662 1.730 -9.170 1.00 0.00 C ATOM 945 CD ARG A 65 -3.901 0.871 -9.435 1.00 0.00 C ATOM 946 NE ARG A 65 -5.038 1.732 -9.831 1.00 0.00 N ATOM 947 CZ ARG A 65 -6.126 1.289 -10.475 1.00 0.00 C ATOM 948 NH1 ARG A 65 -6.232 -0.007 -10.799 1.00 0.00 N ATOM 949 NH2 ARG A 65 -7.109 2.142 -10.795 1.00 0.00 N ATOM 0 H ARG A 65 -0.684 -0.518 -9.146 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.117 2.243 -8.465 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.293 0.290 -7.607 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.210 1.957 -7.073 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.953 2.777 -9.083 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.978 1.658 -10.015 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.690 0.147 -10.223 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.158 0.303 -8.541 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.990 2.724 -9.599 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.484 -0.656 -10.555 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.061 -0.344 -11.289 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.029 3.128 -10.548 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.937 1.805 -11.285 1.00 0.00 H new ATOM 960 N LEU A 66 0.640 -0.246 -6.550 1.00 0.00 N ATOM 961 CA LEU A 66 1.298 -0.645 -5.317 1.00 0.00 C ATOM 962 C LEU A 66 2.706 -0.048 -5.279 1.00 0.00 C ATOM 963 O LEU A 66 3.633 -0.595 -5.874 1.00 0.00 O ATOM 964 CB LEU A 66 1.270 -2.167 -5.163 1.00 0.00 C ATOM 965 CG LEU A 66 -0.107 -2.794 -4.943 1.00 0.00 C ATOM 966 CD1 LEU A 66 -0.055 -4.311 -5.136 1.00 0.00 C ATOM 967 CD2 LEU A 66 -0.674 -2.409 -3.576 1.00 0.00 C ATOM 0 H LEU A 66 0.518 -0.996 -7.231 1.00 0.00 H new ATOM 0 HA LEU A 66 0.761 -0.251 -4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.711 -2.611 -6.056 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.909 -2.439 -4.323 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.787 -2.396 -5.696 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.047 -4.733 -4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.274 -4.538 -6.150 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.645 -4.745 -4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.654 -2.868 -3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.002 -2.759 -2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.771 -1.325 -3.514 1.00 0.00 H new ATOM 978 N ASP A 67 2.822 1.068 -4.573 1.00 0.00 N ATOM 979 CA ASP A 67 4.102 1.745 -4.450 1.00 0.00 C ATOM 980 C ASP A 67 4.892 1.127 -3.295 1.00 0.00 C ATOM 981 O ASP A 67 4.993 1.719 -2.221 1.00 0.00 O ATOM 982 CB ASP A 67 3.911 3.233 -4.150 1.00 0.00 C ATOM 983 CG ASP A 67 5.206 4.027 -3.965 1.00 0.00 C ATOM 984 OD1 ASP A 67 6.151 3.445 -3.390 1.00 0.00 O ATOM 985 OD2 ASP A 67 5.221 5.198 -4.403 1.00 0.00 O ATOM 0 H ASP A 67 2.051 1.520 -4.081 1.00 0.00 H new ATOM 0 HA ASP A 67 4.635 1.633 -5.394 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.340 3.682 -4.963 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.310 3.332 -3.246 1.00 0.00 H new ATOM 989 N LEU A 68 5.432 -0.054 -3.554 1.00 0.00 N ATOM 990 CA LEU A 68 6.210 -0.759 -2.550 1.00 0.00 C ATOM 991 C LEU A 68 7.336 0.151 -2.054 1.00 0.00 C ATOM 992 O LEU A 68 7.900 -0.081 -0.985 1.00 0.00 O ATOM 993 CB LEU A 68 6.700 -2.101 -3.096 1.00 0.00 C ATOM 994 CG LEU A 68 5.724 -2.851 -4.006 1.00 0.00 C ATOM 995 CD1 LEU A 68 6.184 -4.294 -4.232 1.00 0.00 C ATOM 996 CD2 LEU A 68 4.298 -2.785 -3.454 1.00 0.00 C ATOM 0 H LEU A 68 5.346 -0.541 -4.446 1.00 0.00 H new ATOM 0 HA LEU A 68 5.589 -1.000 -1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.624 -1.930 -3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.948 -2.745 -2.253 1.00 0.00 H new ATOM 0 HG LEU A 68 5.716 -2.358 -4.978 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.473 -4.805 -4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.168 -4.293 -4.700 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.238 -4.813 -3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.625 -3.326 -4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.270 -3.238 -2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.982 -1.744 -3.386 1.00 0.00 H new ATOM 1007 N LYS A 69 7.631 1.164 -2.853 1.00 0.00 N ATOM 1008 CA LYS A 69 8.680 2.110 -2.509 1.00 0.00 C ATOM 1009 C LYS A 69 8.235 2.942 -1.304 1.00 0.00 C ATOM 1010 O LYS A 69 9.022 3.705 -0.748 1.00 0.00 O ATOM 1011 CB LYS A 69 9.067 2.949 -3.727 1.00 0.00 C ATOM 1012 CG LYS A 69 9.396 2.057 -4.926 1.00 0.00 C ATOM 1013 CD LYS A 69 10.749 2.434 -5.535 1.00 0.00 C ATOM 1014 CE LYS A 69 10.747 2.218 -7.049 1.00 0.00 C ATOM 1015 NZ LYS A 69 11.517 1.004 -7.402 1.00 0.00 N ATOM 0 H LYS A 69 7.162 1.352 -3.739 1.00 0.00 H new ATOM 0 HA LYS A 69 9.587 1.582 -2.215 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.249 3.622 -3.984 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.928 3.572 -3.485 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.412 1.013 -4.614 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.615 2.152 -5.680 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.974 3.477 -5.313 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.537 1.834 -5.079 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.722 2.122 -7.407 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.178 3.087 -7.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.505 0.873 -8.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.500 1.110 -7.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.088 0.175 -6.943 1.00 0.00 H new ATOM 1025 N LYS A 70 6.974 2.766 -0.937 1.00 0.00 N ATOM 1026 CA LYS A 70 6.415 3.491 0.191 1.00 0.00 C ATOM 1027 C LYS A 70 5.644 2.518 1.085 1.00 0.00 C ATOM 1028 O LYS A 70 4.832 2.938 1.908 1.00 0.00 O ATOM 1029 CB LYS A 70 5.577 4.675 -0.297 1.00 0.00 C ATOM 1030 CG LYS A 70 6.441 5.682 -1.060 1.00 0.00 C ATOM 1031 CD LYS A 70 6.117 7.115 -0.635 1.00 0.00 C ATOM 1032 CE LYS A 70 7.055 8.114 -1.317 1.00 0.00 C ATOM 1033 NZ LYS A 70 6.280 9.219 -1.924 1.00 0.00 N ATOM 0 H LYS A 70 6.324 2.132 -1.401 1.00 0.00 H new ATOM 0 HA LYS A 70 7.210 3.922 0.800 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.775 4.316 -0.942 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.105 5.166 0.554 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.495 5.474 -0.877 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.275 5.570 -2.132 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.083 7.349 -0.890 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.207 7.206 0.447 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.762 8.514 -0.590 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.640 7.607 -2.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.931 9.888 -2.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.623 8.834 -2.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.741 9.712 -1.184 1.00 0.00 H new ATOM 1043 N ILE A 71 5.925 1.238 0.894 1.00 0.00 N ATOM 1044 CA ILE A 71 5.269 0.203 1.672 1.00 0.00 C ATOM 1045 C ILE A 71 5.558 0.427 3.158 1.00 0.00 C ATOM 1046 O ILE A 71 6.493 1.144 3.510 1.00 0.00 O ATOM 1047 CB ILE A 71 5.673 -1.185 1.169 1.00 0.00 C ATOM 1048 CG1 ILE A 71 4.441 -2.034 0.854 1.00 0.00 C ATOM 1049 CG2 ILE A 71 6.607 -1.877 2.164 1.00 0.00 C ATOM 1050 CD1 ILE A 71 4.844 -3.449 0.435 1.00 0.00 C ATOM 0 H ILE A 71 6.599 0.894 0.210 1.00 0.00 H new ATOM 0 HA ILE A 71 4.188 0.260 1.545 1.00 0.00 H new ATOM 0 HB ILE A 71 6.226 -1.064 0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.793 -2.081 1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.865 -1.564 0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.879 -2.861 1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.507 -1.277 2.296 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.100 -1.986 3.123 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.950 -4.032 0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.472 -3.400 -0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.398 -3.924 1.244 1.00 0.00 H new ATOM 1061 N GLN A 72 4.738 -0.199 3.989 1.00 0.00 N ATOM 1062 CA GLN A 72 4.895 -0.077 5.428 1.00 0.00 C ATOM 1063 C GLN A 72 4.431 -1.359 6.124 1.00 0.00 C ATOM 1064 O GLN A 72 3.492 -1.333 6.918 1.00 0.00 O ATOM 1065 CB GLN A 72 4.137 1.141 5.961 1.00 0.00 C ATOM 1066 CG GLN A 72 4.975 2.413 5.820 1.00 0.00 C ATOM 1067 CD GLN A 72 4.754 3.350 7.010 1.00 0.00 C ATOM 1068 OE1 GLN A 72 5.490 3.344 7.982 1.00 0.00 O ATOM 1069 NE2 GLN A 72 3.702 4.152 6.879 1.00 0.00 N ATOM 0 H GLN A 72 3.963 -0.792 3.693 1.00 0.00 H new ATOM 0 HA GLN A 72 5.953 0.070 5.647 1.00 0.00 H new ATOM 0 HB2 GLN A 72 3.199 1.257 5.417 1.00 0.00 H new ATOM 0 HB3 GLN A 72 3.881 0.984 7.009 1.00 0.00 H new ATOM 0 HG2 GLN A 72 6.031 2.151 5.750 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.711 2.926 4.895 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.127 4.105 6.038 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.470 4.814 7.620 1.00 0.00 H new ATOM 1076 N PHE A 73 5.112 -2.449 5.800 1.00 0.00 N ATOM 1077 CA PHE A 73 4.781 -3.738 6.384 1.00 0.00 C ATOM 1078 C PHE A 73 4.342 -3.584 7.841 1.00 0.00 C ATOM 1079 O PHE A 73 4.739 -2.635 8.516 1.00 0.00 O ATOM 1080 CB PHE A 73 6.051 -4.590 6.334 1.00 0.00 C ATOM 1081 CG PHE A 73 6.274 -5.296 4.996 1.00 0.00 C ATOM 1082 CD1 PHE A 73 6.836 -4.623 3.956 1.00 0.00 C ATOM 1083 CD2 PHE A 73 5.910 -6.599 4.844 1.00 0.00 C ATOM 1084 CE1 PHE A 73 7.044 -5.279 2.714 1.00 0.00 C ATOM 1085 CE2 PHE A 73 6.117 -7.254 3.603 1.00 0.00 C ATOM 1086 CZ PHE A 73 6.679 -6.581 2.563 1.00 0.00 C ATOM 0 H PHE A 73 5.891 -2.466 5.141 1.00 0.00 H new ATOM 0 HA PHE A 73 3.960 -4.197 5.832 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.911 -3.955 6.546 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.005 -5.339 7.125 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.124 -3.589 4.075 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.463 -7.134 5.669 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.492 -4.745 1.889 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.828 -8.288 3.484 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.835 -7.080 1.618 1.00 0.00 H new ATOM 1095 N PRO A 74 3.505 -4.556 8.295 1.00 0.00 N ATOM 1096 CA PRO A 74 3.008 -4.537 9.660 1.00 0.00 C ATOM 1097 C PRO A 74 4.096 -4.964 10.646 1.00 0.00 C ATOM 1098 O PRO A 74 5.047 -5.646 10.270 1.00 0.00 O ATOM 1099 CB PRO A 74 1.810 -5.473 9.654 1.00 0.00 C ATOM 1100 CG PRO A 74 1.961 -6.335 8.412 1.00 0.00 C ATOM 1101 CD PRO A 74 3.014 -5.694 7.524 1.00 0.00 C ATOM 0 HA PRO A 74 2.716 -3.539 9.988 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.789 -6.086 10.555 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.876 -4.912 9.629 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.257 -7.348 8.684 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.011 -6.412 7.883 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.818 -6.393 7.295 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.589 -5.374 6.573 1.00 0.00 H new ATOM 1106 N LYS A 75 3.919 -4.544 11.891 1.00 0.00 N ATOM 1107 CA LYS A 75 4.875 -4.875 12.935 1.00 0.00 C ATOM 1108 C LYS A 75 4.337 -6.045 13.761 1.00 0.00 C ATOM 1109 O LYS A 75 3.889 -5.857 14.890 1.00 0.00 O ATOM 1110 CB LYS A 75 5.209 -3.636 13.768 1.00 0.00 C ATOM 1111 CG LYS A 75 6.054 -4.007 14.989 1.00 0.00 C ATOM 1112 CD LYS A 75 7.318 -3.147 15.061 1.00 0.00 C ATOM 1113 CE LYS A 75 8.185 -3.549 16.256 1.00 0.00 C ATOM 1114 NZ LYS A 75 8.093 -2.532 17.328 1.00 0.00 N ATOM 0 H LYS A 75 3.129 -3.978 12.200 1.00 0.00 H new ATOM 0 HA LYS A 75 5.819 -5.201 12.498 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.748 -2.915 13.154 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.288 -3.152 14.092 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.466 -3.873 15.897 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.329 -5.061 14.939 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.889 -3.256 14.139 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.043 -2.095 15.144 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.863 -4.518 16.637 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.222 -3.660 15.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.687 -2.820 18.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.422 -1.615 16.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.105 -2.446 17.641 1.00 0.00 H new ATOM 1124 N LYS A 76 4.399 -7.226 13.164 1.00 0.00 N ATOM 1125 CA LYS A 76 3.924 -8.426 13.831 1.00 0.00 C ATOM 1126 C LYS A 76 4.758 -9.624 13.371 1.00 0.00 C ATOM 1127 O LYS A 76 4.239 -10.539 12.734 1.00 0.00 O ATOM 1128 CB LYS A 76 2.420 -8.603 13.609 1.00 0.00 C ATOM 1129 CG LYS A 76 1.880 -9.776 14.429 1.00 0.00 C ATOM 1130 CD LYS A 76 0.481 -10.177 13.956 1.00 0.00 C ATOM 1131 CE LYS A 76 -0.235 -11.020 15.012 1.00 0.00 C ATOM 1132 NZ LYS A 76 -0.663 -10.175 16.148 1.00 0.00 N ATOM 0 H LYS A 76 4.771 -7.377 12.226 1.00 0.00 H new ATOM 0 HA LYS A 76 4.056 -8.340 14.910 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.897 -7.688 13.888 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.222 -8.773 12.551 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.555 -10.627 14.341 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.847 -9.503 15.484 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.104 -9.283 13.742 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.555 -10.740 13.026 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.102 -11.509 14.568 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.429 -11.808 15.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.381 -10.680 16.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.157 -9.963 16.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.067 -9.287 15.787 1.00 0.00 H new ATOM 1142 N GLU A 77 6.038 -9.580 13.713 1.00 0.00 N ATOM 1143 CA GLU A 77 6.948 -10.650 13.343 1.00 0.00 C ATOM 1144 C GLU A 77 8.171 -10.648 14.263 1.00 0.00 C ATOM 1145 O GLU A 77 8.619 -9.591 14.704 1.00 0.00 O ATOM 1146 CB GLU A 77 7.366 -10.531 11.876 1.00 0.00 C ATOM 1147 CG GLU A 77 6.509 -11.435 10.987 1.00 0.00 C ATOM 1148 CD GLU A 77 7.384 -12.321 10.099 1.00 0.00 C ATOM 1149 OE1 GLU A 77 8.302 -11.759 9.465 1.00 0.00 O ATOM 1150 OE2 GLU A 77 7.115 -13.541 10.075 1.00 0.00 O ATOM 0 H GLU A 77 6.466 -8.820 14.242 1.00 0.00 H new ATOM 0 HA GLU A 77 6.428 -11.601 13.463 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.269 -9.496 11.549 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.417 -10.801 11.770 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.867 -12.059 11.609 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.855 -10.824 10.365 1.00 0.00 H new ATOM 1155 N ALA A 78 8.675 -11.845 14.527 1.00 0.00 N ATOM 1156 CA ALA A 78 9.837 -11.994 15.386 1.00 0.00 C ATOM 1157 C ALA A 78 11.099 -11.635 14.599 1.00 0.00 C ATOM 1158 O ALA A 78 11.741 -12.508 14.018 1.00 0.00 O ATOM 1159 CB ALA A 78 9.882 -13.420 15.942 1.00 0.00 C ATOM 0 H ALA A 78 8.300 -12.720 14.161 1.00 0.00 H new ATOM 0 HA ALA A 78 9.775 -11.314 16.236 1.00 0.00 H new ATOM 0 HB1 ALA A 78 10.754 -13.532 16.587 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.977 -13.615 16.518 1.00 0.00 H new ATOM 0 HB3 ALA A 78 9.947 -14.130 15.118 1.00 0.00 H new ATOM 1165 N LYS A 79 11.416 -10.349 14.607 1.00 0.00 N ATOM 1166 CA LYS A 79 12.589 -9.864 13.900 1.00 0.00 C ATOM 1167 C LYS A 79 13.825 -10.617 14.395 1.00 0.00 C ATOM 1168 O LYS A 79 14.286 -10.394 15.514 1.00 0.00 O ATOM 1169 CB LYS A 79 12.703 -8.344 14.031 1.00 0.00 C ATOM 1170 CG LYS A 79 11.581 -7.641 13.263 1.00 0.00 C ATOM 1171 CD LYS A 79 11.760 -6.123 13.299 1.00 0.00 C ATOM 1172 CE LYS A 79 12.295 -5.602 11.962 1.00 0.00 C ATOM 1173 NZ LYS A 79 13.769 -5.730 11.910 1.00 0.00 N ATOM 0 H LYS A 79 10.881 -9.628 15.092 1.00 0.00 H new ATOM 0 HA LYS A 79 12.499 -10.064 12.832 1.00 0.00 H new ATOM 0 HB2 LYS A 79 12.660 -8.062 15.083 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.670 -8.014 13.652 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.572 -7.985 12.229 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.617 -7.907 13.696 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.806 -5.646 13.524 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.448 -5.853 14.100 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.846 -6.161 11.141 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.010 -4.558 11.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 14.121 -5.326 11.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.190 -5.219 12.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.032 -6.735 11.963 1.00 0.00 H new ATOM 1183 N THR A 80 14.326 -11.494 13.538 1.00 0.00 N ATOM 1184 CA THR A 80 15.499 -12.283 13.874 1.00 0.00 C ATOM 1185 C THR A 80 16.614 -12.041 12.854 1.00 0.00 C ATOM 1186 O THR A 80 16.346 -11.844 11.670 1.00 0.00 O ATOM 1187 CB THR A 80 15.073 -13.749 13.971 1.00 0.00 C ATOM 1188 OG1 THR A 80 16.255 -14.428 14.383 1.00 0.00 O ATOM 1189 CG2 THR A 80 14.749 -14.357 12.605 1.00 0.00 C ATOM 0 H THR A 80 13.941 -11.676 12.611 1.00 0.00 H new ATOM 0 HA THR A 80 15.912 -11.986 14.838 1.00 0.00 H new ATOM 0 HB THR A 80 14.201 -13.831 14.620 1.00 0.00 H new ATOM 0 HG1 THR A 80 16.068 -15.386 14.472 1.00 0.00 H new ATOM 0 HG21 THR A 80 14.452 -15.398 12.731 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.933 -13.801 12.143 1.00 0.00 H new ATOM 0 HG23 THR A 80 15.630 -14.306 11.966 1.00 0.00 H new ATOM 1197 N PRO A 81 17.874 -12.065 13.364 1.00 0.00 N ATOM 1198 CA PRO A 81 19.031 -11.851 12.510 1.00 0.00 C ATOM 1199 C PRO A 81 19.316 -13.087 11.654 1.00 0.00 C ATOM 1200 O PRO A 81 19.663 -14.144 12.178 1.00 0.00 O ATOM 1201 CB PRO A 81 20.166 -11.514 13.463 1.00 0.00 C ATOM 1202 CG PRO A 81 19.721 -12.005 14.832 1.00 0.00 C ATOM 1203 CD PRO A 81 18.231 -12.296 14.760 1.00 0.00 C ATOM 0 HA PRO A 81 18.880 -11.046 11.791 1.00 0.00 H new ATOM 0 HB2 PRO A 81 21.092 -12.001 13.155 1.00 0.00 H new ATOM 0 HB3 PRO A 81 20.359 -10.441 13.477 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.272 -12.902 15.114 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.927 -11.252 15.593 1.00 0.00 H new ATOM 0 HD2 PRO A 81 18.013 -13.321 15.060 1.00 0.00 H new ATOM 0 HD3 PRO A 81 17.668 -11.642 15.426 1.00 0.00 H new ATOM 1208 N SER A 82 19.161 -12.912 10.349 1.00 0.00 N ATOM 1209 CA SER A 82 19.397 -13.999 9.415 1.00 0.00 C ATOM 1210 C SER A 82 20.249 -13.506 8.244 1.00 0.00 C ATOM 1211 O SER A 82 20.467 -12.305 8.092 1.00 0.00 O ATOM 1212 CB SER A 82 18.079 -14.583 8.904 1.00 0.00 C ATOM 1213 OG SER A 82 18.158 -15.994 8.714 1.00 0.00 O ATOM 0 H SER A 82 18.875 -12.033 9.917 1.00 0.00 H new ATOM 0 HA SER A 82 19.934 -14.790 9.939 1.00 0.00 H new ATOM 0 HB2 SER A 82 17.283 -14.357 9.613 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.812 -14.105 7.962 1.00 0.00 H new ATOM 0 HG SER A 82 17.296 -16.329 8.389 1.00 0.00 H new ATOM 1218 N GLY A 83 20.709 -14.460 7.446 1.00 0.00 N ATOM 1219 CA GLY A 83 21.533 -14.137 6.293 1.00 0.00 C ATOM 1220 C GLY A 83 20.667 -13.754 5.091 1.00 0.00 C ATOM 1221 O GLY A 83 19.444 -13.677 5.201 1.00 0.00 O ATOM 0 H GLY A 83 20.527 -15.455 7.575 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.204 -13.314 6.540 1.00 0.00 H new ATOM 0 HA3 GLY A 83 22.159 -14.992 6.037 1.00 0.00 H new ATOM 1225 N PRO A 84 21.352 -13.519 3.940 1.00 0.00 N ATOM 1226 CA PRO A 84 20.659 -13.146 2.719 1.00 0.00 C ATOM 1227 C PRO A 84 19.959 -14.355 2.095 1.00 0.00 C ATOM 1228 O PRO A 84 20.069 -15.470 2.601 1.00 0.00 O ATOM 1229 CB PRO A 84 21.733 -12.554 1.822 1.00 0.00 C ATOM 1230 CG PRO A 84 23.060 -13.039 2.384 1.00 0.00 C ATOM 1231 CD PRO A 84 22.801 -13.601 3.772 1.00 0.00 C ATOM 0 HA PRO A 84 19.861 -12.424 2.892 1.00 0.00 H new ATOM 0 HB2 PRO A 84 21.603 -12.880 0.790 1.00 0.00 H new ATOM 0 HB3 PRO A 84 21.684 -11.465 1.821 1.00 0.00 H new ATOM 0 HG2 PRO A 84 23.492 -13.803 1.737 1.00 0.00 H new ATOM 0 HG3 PRO A 84 23.777 -12.219 2.432 1.00 0.00 H new ATOM 0 HD2 PRO A 84 23.152 -14.630 3.855 1.00 0.00 H new ATOM 0 HD3 PRO A 84 23.322 -13.024 4.536 1.00 0.00 H new ATOM 1236 N SER A 85 19.255 -14.092 1.003 1.00 0.00 N ATOM 1237 CA SER A 85 18.536 -15.145 0.306 1.00 0.00 C ATOM 1238 C SER A 85 18.942 -15.164 -1.170 1.00 0.00 C ATOM 1239 O SER A 85 19.115 -14.112 -1.784 1.00 0.00 O ATOM 1240 CB SER A 85 17.023 -14.961 0.438 1.00 0.00 C ATOM 1241 OG SER A 85 16.316 -16.174 0.198 1.00 0.00 O ATOM 0 H SER A 85 19.167 -13.166 0.584 1.00 0.00 H new ATOM 0 HA SER A 85 18.799 -16.099 0.762 1.00 0.00 H new ATOM 0 HB2 SER A 85 16.788 -14.596 1.438 1.00 0.00 H new ATOM 0 HB3 SER A 85 16.687 -14.200 -0.266 1.00 0.00 H new ATOM 0 HG SER A 85 15.354 -16.016 0.293 1.00 0.00 H new ATOM 1246 N SER A 86 19.080 -16.372 -1.697 1.00 0.00 N ATOM 1247 CA SER A 86 19.461 -16.542 -3.088 1.00 0.00 C ATOM 1248 C SER A 86 18.307 -17.167 -3.875 1.00 0.00 C ATOM 1249 O SER A 86 17.824 -16.582 -4.843 1.00 0.00 O ATOM 1250 CB SER A 86 20.718 -17.406 -3.215 1.00 0.00 C ATOM 1251 OG SER A 86 21.228 -17.415 -4.545 1.00 0.00 O ATOM 0 H SER A 86 18.935 -17.242 -1.185 1.00 0.00 H new ATOM 0 HA SER A 86 19.685 -15.559 -3.502 1.00 0.00 H new ATOM 0 HB2 SER A 86 21.484 -17.033 -2.536 1.00 0.00 H new ATOM 0 HB3 SER A 86 20.489 -18.426 -2.908 1.00 0.00 H new ATOM 0 HG SER A 86 22.031 -17.976 -4.584 1.00 0.00 H new ATOM 1256 N GLY A 87 17.899 -18.345 -3.429 1.00 0.00 N ATOM 1257 CA GLY A 87 16.810 -19.055 -4.078 1.00 0.00 C ATOM 1258 C GLY A 87 16.308 -20.207 -3.205 1.00 0.00 C ATOM 1259 O GLY A 87 16.533 -21.374 -3.521 1.00 0.00 O ATOM 0 H GLY A 87 18.303 -18.826 -2.626 1.00 0.00 H new ATOM 0 HA2 GLY A 87 15.991 -18.365 -4.281 1.00 0.00 H new ATOM 0 HA3 GLY A 87 17.146 -19.443 -5.040 1.00 0.00 H new TER 1263 GLY A 87