USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 776 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 60 HIS HD1 : A 60 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Set 1.1: A 16 TYR OH : rot 168:sc= 0.176 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -2.13! K(o=-2!,f=-0.48) USER MOD Set 2.1: A 57 HIS : no HD1:sc= -2.56 K(o=-2.2,f=-2.8) USER MOD Set 2.2: A 59 TYR OH : rot 132:sc= 0.33 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 48:sc= 0.385 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 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 15:sc= -0.224 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 35:sc= 0.0794 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 41:sc= 0.545 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -104:sc= 0.954 USER MOD Single : A 42 MET CE :methyl -108:sc= -0.659 (180deg=-5.77!) USER MOD Single : A 45 MET CE :methyl 167:sc= 0 (180deg=-0.305) USER MOD Single : A 47 GLN : amide:sc= -0.0952 K(o=-0.095,f=-1.9!) USER MOD Single : A 48 SER OG : rot 160:sc= 0.284 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.267 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -92:sc= 0.998 USER MOD Single : A 73 HIS : no HD1:sc= -0.625 K(o=-0.63,f=-0.023) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.563 K(o=-0.56,f=-2.6!) USER MOD Single : A 90 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.16) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -155:sc= -0.244 (180deg=-1.16!) USER MOD Single : A 94 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0596) USER MOD Single : A 95 THR OG1 : rot 101:sc= 1.11 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0.0017 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.339 6.755 28.639 1.00 0.00 N ATOM 2 CA GLY A 1 -1.413 6.313 27.613 1.00 0.00 C ATOM 3 C GLY A 1 -1.564 7.092 26.322 1.00 0.00 C ATOM 4 O GLY A 1 -1.966 6.539 25.298 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.196 6.192 29.502 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.170 7.759 28.849 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.315 6.631 28.302 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.392 6.418 27.980 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.573 5.253 27.415 1.00 0.00 H new ATOM 8 N SER A 2 -1.241 8.380 26.369 1.00 0.00 N ATOM 9 CA SER A 2 -1.347 9.239 25.195 1.00 0.00 C ATOM 10 C SER A 2 0.028 9.509 24.593 1.00 0.00 C ATOM 11 O SER A 2 0.708 10.462 24.973 1.00 0.00 O ATOM 12 CB SER A 2 -2.025 10.560 25.562 1.00 0.00 C ATOM 13 OG SER A 2 -1.388 11.168 26.673 1.00 0.00 O ATOM 0 H SER A 2 -0.904 8.852 27.208 1.00 0.00 H new ATOM 0 HA SER A 2 -1.954 8.722 24.452 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.997 11.236 24.708 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.075 10.382 25.793 1.00 0.00 H new ATOM 0 HG SER A 2 -0.418 11.167 26.535 1.00 0.00 H new ATOM 19 N SER A 3 0.432 8.662 23.651 1.00 0.00 N ATOM 20 CA SER A 3 1.728 8.806 22.998 1.00 0.00 C ATOM 21 C SER A 3 1.561 8.980 21.492 1.00 0.00 C ATOM 22 O SER A 3 0.772 8.280 20.858 1.00 0.00 O ATOM 23 CB SER A 3 2.607 7.588 23.288 1.00 0.00 C ATOM 24 OG SER A 3 2.167 6.456 22.559 1.00 0.00 O ATOM 0 H SER A 3 -0.120 7.869 23.323 1.00 0.00 H new ATOM 0 HA SER A 3 2.212 9.697 23.398 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.642 7.812 23.028 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.587 7.367 24.355 1.00 0.00 H new ATOM 0 HG SER A 3 2.746 5.692 22.761 1.00 0.00 H new ATOM 30 N GLY A 4 2.311 9.919 20.924 1.00 0.00 N ATOM 31 CA GLY A 4 2.232 10.169 19.496 1.00 0.00 C ATOM 32 C GLY A 4 3.347 11.070 19.003 1.00 0.00 C ATOM 33 O GLY A 4 3.143 12.267 18.800 1.00 0.00 O ATOM 0 H GLY A 4 2.972 10.511 21.427 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.273 9.220 18.961 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.270 10.625 19.263 1.00 0.00 H new ATOM 37 N SER A 5 4.529 10.495 18.811 1.00 0.00 N ATOM 38 CA SER A 5 5.683 11.255 18.343 1.00 0.00 C ATOM 39 C SER A 5 5.613 11.476 16.835 1.00 0.00 C ATOM 40 O SER A 5 6.605 11.309 16.126 1.00 0.00 O ATOM 41 CB SER A 5 6.980 10.528 18.704 1.00 0.00 C ATOM 42 OG SER A 5 7.371 10.813 20.036 1.00 0.00 O ATOM 0 H SER A 5 4.714 9.505 18.972 1.00 0.00 H new ATOM 0 HA SER A 5 5.671 12.227 18.836 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.844 9.453 18.584 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.772 10.828 18.017 1.00 0.00 H new ATOM 0 HG SER A 5 8.201 10.335 20.243 1.00 0.00 H new ATOM 48 N SER A 6 4.433 11.852 16.353 1.00 0.00 N ATOM 49 CA SER A 6 4.230 12.093 14.929 1.00 0.00 C ATOM 50 C SER A 6 3.878 13.554 14.670 1.00 0.00 C ATOM 51 O SER A 6 2.787 14.011 15.009 1.00 0.00 O ATOM 52 CB SER A 6 3.123 11.186 14.389 1.00 0.00 C ATOM 53 OG SER A 6 3.383 9.827 14.695 1.00 0.00 O ATOM 0 H SER A 6 3.603 11.996 16.928 1.00 0.00 H new ATOM 0 HA SER A 6 5.161 11.865 14.411 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.165 11.482 14.817 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.041 11.310 13.309 1.00 0.00 H new ATOM 0 HG SER A 6 2.660 9.268 14.341 1.00 0.00 H new ATOM 59 N GLY A 7 4.811 14.284 14.065 1.00 0.00 N ATOM 60 CA GLY A 7 4.581 15.686 13.770 1.00 0.00 C ATOM 61 C GLY A 7 5.378 16.165 12.573 1.00 0.00 C ATOM 62 O GLY A 7 4.809 16.499 11.534 1.00 0.00 O ATOM 0 H GLY A 7 5.722 13.929 13.774 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.519 15.845 13.583 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.844 16.285 14.641 1.00 0.00 H new ATOM 66 N MET A 8 6.698 16.201 12.720 1.00 0.00 N ATOM 67 CA MET A 8 7.574 16.644 11.641 1.00 0.00 C ATOM 68 C MET A 8 7.595 15.626 10.505 1.00 0.00 C ATOM 69 O MET A 8 7.838 14.440 10.725 1.00 0.00 O ATOM 70 CB MET A 8 8.994 16.866 12.167 1.00 0.00 C ATOM 71 CG MET A 8 9.074 17.899 13.280 1.00 0.00 C ATOM 72 SD MET A 8 8.544 19.537 12.747 1.00 0.00 S ATOM 73 CE MET A 8 10.096 20.226 12.175 1.00 0.00 C ATOM 0 H MET A 8 7.184 15.929 13.574 1.00 0.00 H new ATOM 0 HA MET A 8 7.185 17.586 11.255 1.00 0.00 H new ATOM 0 HB2 MET A 8 9.390 15.918 12.532 1.00 0.00 H new ATOM 0 HB3 MET A 8 9.633 17.182 11.342 1.00 0.00 H new ATOM 0 HG2 MET A 8 8.454 17.575 14.116 1.00 0.00 H new ATOM 0 HG3 MET A 8 10.099 17.954 13.646 1.00 0.00 H new ATOM 0 HE1 MET A 8 9.932 21.241 11.813 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.811 20.246 12.998 1.00 0.00 H new ATOM 0 HE3 MET A 8 10.491 19.611 11.366 1.00 0.00 H new ATOM 83 N ALA A 9 7.337 16.098 9.290 1.00 0.00 N ATOM 84 CA ALA A 9 7.327 15.230 8.119 1.00 0.00 C ATOM 85 C ALA A 9 8.523 14.284 8.127 1.00 0.00 C ATOM 86 O ALA A 9 9.614 14.653 8.560 1.00 0.00 O ATOM 87 CB ALA A 9 7.318 16.061 6.845 1.00 0.00 C ATOM 0 H ALA A 9 7.132 17.077 9.091 1.00 0.00 H new ATOM 0 HA ALA A 9 6.419 14.627 8.152 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.311 15.399 5.979 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.429 16.691 6.828 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.208 16.689 6.814 1.00 0.00 H new ATOM 93 N GLU A 10 8.310 13.063 7.647 1.00 0.00 N ATOM 94 CA GLU A 10 9.371 12.064 7.602 1.00 0.00 C ATOM 95 C GLU A 10 10.027 12.030 6.224 1.00 0.00 C ATOM 96 O GLU A 10 10.311 10.960 5.686 1.00 0.00 O ATOM 97 CB GLU A 10 8.816 10.681 7.948 1.00 0.00 C ATOM 98 CG GLU A 10 8.337 10.560 9.385 1.00 0.00 C ATOM 99 CD GLU A 10 7.324 9.447 9.571 1.00 0.00 C ATOM 100 OE1 GLU A 10 6.240 9.525 8.956 1.00 0.00 O ATOM 101 OE2 GLU A 10 7.614 8.500 10.331 1.00 0.00 O ATOM 0 H GLU A 10 7.413 12.742 7.284 1.00 0.00 H new ATOM 0 HA GLU A 10 10.125 12.339 8.339 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.988 10.453 7.277 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.588 9.933 7.767 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.193 10.379 10.035 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.894 11.506 9.697 1.00 0.00 H new ATOM 108 N SER A 11 10.266 13.210 5.660 1.00 0.00 N ATOM 109 CA SER A 11 10.884 13.316 4.344 1.00 0.00 C ATOM 110 C SER A 11 10.203 12.384 3.346 1.00 0.00 C ATOM 111 O SER A 11 10.863 11.732 2.537 1.00 0.00 O ATOM 112 CB SER A 11 12.376 12.986 4.430 1.00 0.00 C ATOM 113 OG SER A 11 13.009 13.748 5.443 1.00 0.00 O ATOM 0 H SER A 11 10.041 14.105 6.094 1.00 0.00 H new ATOM 0 HA SER A 11 10.765 14.342 3.996 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.505 11.923 4.635 1.00 0.00 H new ATOM 0 HB3 SER A 11 12.852 13.185 3.470 1.00 0.00 H new ATOM 0 HG SER A 11 13.961 13.518 5.479 1.00 0.00 H new ATOM 119 N SER A 12 8.876 12.328 3.410 1.00 0.00 N ATOM 120 CA SER A 12 8.104 11.474 2.515 1.00 0.00 C ATOM 121 C SER A 12 6.816 12.167 2.080 1.00 0.00 C ATOM 122 O SER A 12 5.918 12.398 2.890 1.00 0.00 O ATOM 123 CB SER A 12 7.775 10.146 3.201 1.00 0.00 C ATOM 124 OG SER A 12 7.362 9.173 2.258 1.00 0.00 O ATOM 0 H SER A 12 8.314 12.863 4.072 1.00 0.00 H new ATOM 0 HA SER A 12 8.708 11.278 1.629 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.651 9.785 3.741 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.987 10.300 3.938 1.00 0.00 H new ATOM 0 HG SER A 12 7.159 8.334 2.721 1.00 0.00 H new ATOM 130 N ASP A 13 6.734 12.496 0.796 1.00 0.00 N ATOM 131 CA ASP A 13 5.557 13.161 0.251 1.00 0.00 C ATOM 132 C ASP A 13 4.907 12.312 -0.837 1.00 0.00 C ATOM 133 O ASP A 13 4.480 12.827 -1.871 1.00 0.00 O ATOM 134 CB ASP A 13 5.935 14.532 -0.313 1.00 0.00 C ATOM 135 CG ASP A 13 6.770 15.346 0.655 1.00 0.00 C ATOM 136 OD1 ASP A 13 7.974 15.045 0.799 1.00 0.00 O ATOM 137 OD2 ASP A 13 6.220 16.284 1.269 1.00 0.00 O ATOM 0 H ASP A 13 7.469 12.313 0.113 1.00 0.00 H new ATOM 0 HA ASP A 13 4.839 13.294 1.060 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.488 14.399 -1.243 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.027 15.084 -0.558 1.00 0.00 H new ATOM 142 N LYS A 14 4.835 11.007 -0.598 1.00 0.00 N ATOM 143 CA LYS A 14 4.238 10.084 -1.556 1.00 0.00 C ATOM 144 C LYS A 14 2.717 10.094 -1.444 1.00 0.00 C ATOM 145 O LYS A 14 2.162 9.881 -0.365 1.00 0.00 O ATOM 146 CB LYS A 14 4.768 8.667 -1.329 1.00 0.00 C ATOM 147 CG LYS A 14 6.275 8.551 -1.476 1.00 0.00 C ATOM 148 CD LYS A 14 6.693 8.526 -2.937 1.00 0.00 C ATOM 149 CE LYS A 14 8.113 8.008 -3.102 1.00 0.00 C ATOM 150 NZ LYS A 14 9.125 9.028 -2.711 1.00 0.00 N ATOM 0 H LYS A 14 5.183 10.564 0.252 1.00 0.00 H new ATOM 0 HA LYS A 14 4.513 10.411 -2.559 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.482 8.337 -0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.289 7.991 -2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.756 9.390 -0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.621 7.643 -0.982 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.007 7.895 -3.502 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.620 9.530 -3.355 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.246 7.113 -2.494 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.274 7.715 -4.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.080 8.636 -2.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.015 9.873 -3.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.988 9.289 -1.714 1.00 0.00 H new ATOM 164 N LEU A 15 2.047 10.340 -2.564 1.00 0.00 N ATOM 165 CA LEU A 15 0.589 10.375 -2.592 1.00 0.00 C ATOM 166 C LEU A 15 0.002 9.085 -2.029 1.00 0.00 C ATOM 167 O LEU A 15 -0.955 9.112 -1.255 1.00 0.00 O ATOM 168 CB LEU A 15 0.091 10.593 -4.022 1.00 0.00 C ATOM 169 CG LEU A 15 0.178 12.025 -4.552 1.00 0.00 C ATOM 170 CD1 LEU A 15 -0.672 12.960 -3.705 1.00 0.00 C ATOM 171 CD2 LEU A 15 1.625 12.496 -4.581 1.00 0.00 C ATOM 0 H LEU A 15 2.490 10.518 -3.465 1.00 0.00 H new ATOM 0 HA LEU A 15 0.259 11.206 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.662 9.945 -4.687 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.948 10.269 -4.077 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.208 12.039 -5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.598 13.974 -4.097 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.712 12.634 -3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.316 12.942 -2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.668 13.517 -4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.038 12.466 -3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.207 11.843 -5.231 1.00 0.00 H new ATOM 183 N TYR A 16 0.584 7.956 -2.421 1.00 0.00 N ATOM 184 CA TYR A 16 0.119 6.655 -1.955 1.00 0.00 C ATOM 185 C TYR A 16 1.248 5.883 -1.279 1.00 0.00 C ATOM 186 O TYR A 16 2.423 6.212 -1.440 1.00 0.00 O ATOM 187 CB TYR A 16 -0.442 5.843 -3.123 1.00 0.00 C ATOM 188 CG TYR A 16 -1.328 6.646 -4.049 1.00 0.00 C ATOM 189 CD1 TYR A 16 -0.784 7.393 -5.087 1.00 0.00 C ATOM 190 CD2 TYR A 16 -2.707 6.658 -3.886 1.00 0.00 C ATOM 191 CE1 TYR A 16 -1.589 8.129 -5.935 1.00 0.00 C ATOM 192 CE2 TYR A 16 -3.520 7.389 -4.731 1.00 0.00 C ATOM 193 CZ TYR A 16 -2.956 8.124 -5.753 1.00 0.00 C ATOM 194 OH TYR A 16 -3.762 8.855 -6.596 1.00 0.00 O ATOM 0 H TYR A 16 1.378 7.916 -3.060 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.672 6.820 -1.223 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.386 5.427 -3.697 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.011 5.001 -2.729 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.286 7.398 -5.233 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.152 6.086 -3.085 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -1.150 8.705 -6.736 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.591 7.385 -4.592 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.698 8.602 -6.454 1.00 0.00 H new ATOM 204 N ARG A 17 0.881 4.853 -0.523 1.00 0.00 N ATOM 205 CA ARG A 17 1.862 4.033 0.178 1.00 0.00 C ATOM 206 C ARG A 17 1.335 2.617 0.389 1.00 0.00 C ATOM 207 O ARG A 17 0.430 2.394 1.194 1.00 0.00 O ATOM 208 CB ARG A 17 2.215 4.664 1.526 1.00 0.00 C ATOM 209 CG ARG A 17 3.169 3.824 2.360 1.00 0.00 C ATOM 210 CD ARG A 17 3.520 4.515 3.669 1.00 0.00 C ATOM 211 NE ARG A 17 2.353 4.679 4.531 1.00 0.00 N ATOM 212 CZ ARG A 17 2.412 5.180 5.760 1.00 0.00 C ATOM 213 NH1 ARG A 17 3.576 5.564 6.268 1.00 0.00 N ATOM 214 NH2 ARG A 17 1.306 5.299 6.484 1.00 0.00 N ATOM 0 H ARG A 17 -0.088 4.567 -0.380 1.00 0.00 H new ATOM 0 HA ARG A 17 2.761 3.980 -0.437 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.662 5.643 1.353 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.298 4.828 2.092 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.715 2.855 2.569 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.080 3.634 1.792 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.279 3.934 4.193 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.955 5.492 3.458 1.00 0.00 H new ATOM 0 HE ARG A 17 1.443 4.393 4.170 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.428 5.475 5.715 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.619 5.948 7.212 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.409 5.006 6.097 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.353 5.684 7.427 1.00 0.00 H new ATOM 228 N VAL A 18 1.906 1.663 -0.339 1.00 0.00 N ATOM 229 CA VAL A 18 1.495 0.269 -0.231 1.00 0.00 C ATOM 230 C VAL A 18 2.481 -0.532 0.612 1.00 0.00 C ATOM 231 O VAL A 18 3.664 -0.621 0.282 1.00 0.00 O ATOM 232 CB VAL A 18 1.370 -0.389 -1.618 1.00 0.00 C ATOM 233 CG1 VAL A 18 2.723 -0.430 -2.313 1.00 0.00 C ATOM 234 CG2 VAL A 18 0.782 -1.786 -1.494 1.00 0.00 C ATOM 0 H VAL A 18 2.655 1.831 -1.010 1.00 0.00 H new ATOM 0 HA VAL A 18 0.519 0.264 0.255 1.00 0.00 H new ATOM 0 HB VAL A 18 0.694 0.211 -2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.615 -0.898 -3.291 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.100 0.585 -2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.424 -1.007 -1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.701 -2.236 -2.484 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.430 -2.400 -0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.207 -1.725 -1.041 1.00 0.00 H new ATOM 244 N GLU A 19 1.987 -1.112 1.701 1.00 0.00 N ATOM 245 CA GLU A 19 2.826 -1.905 2.591 1.00 0.00 C ATOM 246 C GLU A 19 2.016 -3.014 3.258 1.00 0.00 C ATOM 247 O GLU A 19 0.794 -3.075 3.118 1.00 0.00 O ATOM 248 CB GLU A 19 3.463 -1.012 3.658 1.00 0.00 C ATOM 249 CG GLU A 19 2.477 -0.514 4.702 1.00 0.00 C ATOM 250 CD GLU A 19 3.105 0.462 5.678 1.00 0.00 C ATOM 251 OE1 GLU A 19 4.119 1.095 5.315 1.00 0.00 O ATOM 252 OE2 GLU A 19 2.583 0.592 6.805 1.00 0.00 O ATOM 0 H GLU A 19 1.010 -1.048 1.988 1.00 0.00 H new ATOM 0 HA GLU A 19 3.614 -2.363 1.993 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.258 -1.566 4.157 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.929 -0.155 3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.637 -0.032 4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.075 -1.365 5.252 1.00 0.00 H new ATOM 259 N TYR A 20 2.706 -3.888 3.981 1.00 0.00 N ATOM 260 CA TYR A 20 2.053 -4.997 4.667 1.00 0.00 C ATOM 261 C TYR A 20 1.516 -4.556 6.026 1.00 0.00 C ATOM 262 O TYR A 20 2.282 -4.265 6.944 1.00 0.00 O ATOM 263 CB TYR A 20 3.029 -6.160 4.845 1.00 0.00 C ATOM 264 CG TYR A 20 3.782 -6.517 3.584 1.00 0.00 C ATOM 265 CD1 TYR A 20 3.106 -6.777 2.398 1.00 0.00 C ATOM 266 CD2 TYR A 20 5.170 -6.595 3.577 1.00 0.00 C ATOM 267 CE1 TYR A 20 3.790 -7.104 1.243 1.00 0.00 C ATOM 268 CE2 TYR A 20 5.862 -6.920 2.427 1.00 0.00 C ATOM 269 CZ TYR A 20 5.168 -7.174 1.262 1.00 0.00 C ATOM 270 OH TYR A 20 5.853 -7.499 0.114 1.00 0.00 O ATOM 0 H TYR A 20 3.717 -3.851 4.108 1.00 0.00 H new ATOM 0 HA TYR A 20 1.214 -5.327 4.054 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.745 -5.906 5.626 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.479 -7.036 5.190 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.028 -6.723 2.379 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.717 -6.398 4.487 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.249 -7.304 0.330 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.941 -6.975 2.440 1.00 0.00 H new ATOM 0 HH TYR A 20 5.256 -7.414 -0.658 1.00 0.00 H new ATOM 280 N ALA A 21 0.193 -4.512 6.145 1.00 0.00 N ATOM 281 CA ALA A 21 -0.448 -4.110 7.391 1.00 0.00 C ATOM 282 C ALA A 21 0.240 -4.747 8.593 1.00 0.00 C ATOM 283 O ALA A 21 0.211 -5.966 8.765 1.00 0.00 O ATOM 284 CB ALA A 21 -1.924 -4.480 7.369 1.00 0.00 C ATOM 0 H ALA A 21 -0.455 -4.750 5.394 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.357 -3.028 7.484 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.390 -4.174 8.306 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.414 -3.973 6.538 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.027 -5.558 7.248 1.00 0.00 H new ATOM 290 N LYS A 22 0.861 -3.916 9.424 1.00 0.00 N ATOM 291 CA LYS A 22 1.557 -4.397 10.611 1.00 0.00 C ATOM 292 C LYS A 22 0.585 -5.064 11.579 1.00 0.00 C ATOM 293 O LYS A 22 0.863 -6.138 12.111 1.00 0.00 O ATOM 294 CB LYS A 22 2.277 -3.241 11.309 1.00 0.00 C ATOM 295 CG LYS A 22 2.906 -3.629 12.636 1.00 0.00 C ATOM 296 CD LYS A 22 4.334 -4.117 12.454 1.00 0.00 C ATOM 297 CE LYS A 22 4.387 -5.624 12.254 1.00 0.00 C ATOM 298 NZ LYS A 22 5.787 -6.126 12.190 1.00 0.00 N ATOM 0 H LYS A 22 0.896 -2.905 9.296 1.00 0.00 H new ATOM 0 HA LYS A 22 2.293 -5.137 10.295 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.053 -2.855 10.648 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.568 -2.430 11.476 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.896 -2.772 13.309 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.310 -4.411 13.107 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.783 -3.619 11.595 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.927 -3.844 13.327 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.861 -6.118 13.071 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.865 -5.887 11.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.780 -7.157 12.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.282 -5.674 11.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.279 -5.898 13.078 1.00 0.00 H new ATOM 312 N SER A 23 -0.557 -4.420 11.801 1.00 0.00 N ATOM 313 CA SER A 23 -1.569 -4.950 12.707 1.00 0.00 C ATOM 314 C SER A 23 -2.968 -4.762 12.128 1.00 0.00 C ATOM 315 O SER A 23 -3.176 -3.947 11.231 1.00 0.00 O ATOM 316 CB SER A 23 -1.473 -4.262 14.071 1.00 0.00 C ATOM 317 OG SER A 23 -2.183 -4.989 15.059 1.00 0.00 O ATOM 0 H SER A 23 -0.804 -3.531 11.366 1.00 0.00 H new ATOM 0 HA SER A 23 -1.386 -6.017 12.832 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.427 -4.171 14.363 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.873 -3.251 14.001 1.00 0.00 H new ATOM 0 HG SER A 23 -2.105 -4.530 15.922 1.00 0.00 H new ATOM 323 N GLY A 24 -3.924 -5.526 12.648 1.00 0.00 N ATOM 324 CA GLY A 24 -5.292 -5.430 12.171 1.00 0.00 C ATOM 325 C GLY A 24 -6.095 -4.383 12.919 1.00 0.00 C ATOM 326 O GLY A 24 -7.242 -4.623 13.294 1.00 0.00 O ATOM 0 H GLY A 24 -3.776 -6.209 13.391 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.287 -5.189 11.108 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.779 -6.400 12.275 1.00 0.00 H new ATOM 330 N ARG A 25 -5.490 -3.220 13.136 1.00 0.00 N ATOM 331 CA ARG A 25 -6.155 -2.135 13.847 1.00 0.00 C ATOM 332 C ARG A 25 -6.448 -0.969 12.907 1.00 0.00 C ATOM 333 O ARG A 25 -6.319 0.195 13.286 1.00 0.00 O ATOM 334 CB ARG A 25 -5.292 -1.657 15.016 1.00 0.00 C ATOM 335 CG ARG A 25 -5.269 -2.622 16.190 1.00 0.00 C ATOM 336 CD ARG A 25 -4.871 -1.921 17.479 1.00 0.00 C ATOM 337 NE ARG A 25 -5.867 -0.938 17.898 1.00 0.00 N ATOM 338 CZ ARG A 25 -6.888 -1.223 18.699 1.00 0.00 C ATOM 339 NH1 ARG A 25 -7.047 -2.454 19.165 1.00 0.00 N ATOM 340 NH2 ARG A 25 -7.753 -0.274 19.035 1.00 0.00 N ATOM 0 H ARG A 25 -4.541 -3.005 12.830 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.101 -2.514 14.234 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.272 -1.502 14.664 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.662 -0.690 15.358 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.253 -3.075 16.310 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.569 -3.431 15.983 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.738 -2.661 18.268 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.910 -1.426 17.341 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.774 0.019 17.557 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.384 -3.186 18.909 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.832 -2.669 19.780 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.634 0.674 18.678 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.537 -0.493 19.650 1.00 0.00 H new ATOM 354 N ALA A 26 -6.841 -1.290 11.678 1.00 0.00 N ATOM 355 CA ALA A 26 -7.153 -0.270 10.685 1.00 0.00 C ATOM 356 C ALA A 26 -8.573 -0.435 10.155 1.00 0.00 C ATOM 357 O ALA A 26 -9.175 -1.501 10.288 1.00 0.00 O ATOM 358 CB ALA A 26 -6.151 -0.324 9.541 1.00 0.00 C ATOM 0 H ALA A 26 -6.951 -2.249 11.347 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.085 0.705 11.168 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.396 0.443 8.806 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.147 -0.149 9.928 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.191 -1.305 9.068 1.00 0.00 H new ATOM 364 N SER A 27 -9.103 0.625 9.555 1.00 0.00 N ATOM 365 CA SER A 27 -10.455 0.599 9.009 1.00 0.00 C ATOM 366 C SER A 27 -10.465 1.072 7.559 1.00 0.00 C ATOM 367 O SER A 27 -9.921 2.128 7.234 1.00 0.00 O ATOM 368 CB SER A 27 -11.385 1.476 9.850 1.00 0.00 C ATOM 369 OG SER A 27 -10.924 2.815 9.891 1.00 0.00 O ATOM 0 H SER A 27 -8.617 1.513 9.434 1.00 0.00 H new ATOM 0 HA SER A 27 -10.812 -0.430 9.039 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.392 1.447 9.434 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.447 1.078 10.863 1.00 0.00 H new ATOM 0 HG SER A 27 -10.511 3.045 9.033 1.00 0.00 H new ATOM 375 N CYS A 28 -11.088 0.283 6.690 1.00 0.00 N ATOM 376 CA CYS A 28 -11.170 0.618 5.274 1.00 0.00 C ATOM 377 C CYS A 28 -12.230 1.688 5.028 1.00 0.00 C ATOM 378 O CYS A 28 -13.350 1.595 5.530 1.00 0.00 O ATOM 379 CB CYS A 28 -11.490 -0.631 4.450 1.00 0.00 C ATOM 380 SG CYS A 28 -11.630 -0.325 2.660 1.00 0.00 S ATOM 0 H CYS A 28 -11.544 -0.594 6.942 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.202 1.012 4.964 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -10.712 -1.375 4.621 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.426 -1.060 4.809 1.00 0.00 H new ATOM 385 N LYS A 29 -11.868 2.704 4.253 1.00 0.00 N ATOM 386 CA LYS A 29 -12.786 3.792 3.938 1.00 0.00 C ATOM 387 C LYS A 29 -13.479 3.549 2.601 1.00 0.00 C ATOM 388 O LYS A 29 -13.755 4.488 1.854 1.00 0.00 O ATOM 389 CB LYS A 29 -12.036 5.126 3.901 1.00 0.00 C ATOM 390 CG LYS A 29 -11.400 5.503 5.228 1.00 0.00 C ATOM 391 CD LYS A 29 -12.381 6.235 6.128 1.00 0.00 C ATOM 392 CE LYS A 29 -11.666 6.954 7.262 1.00 0.00 C ATOM 393 NZ LYS A 29 -12.618 7.435 8.301 1.00 0.00 N ATOM 0 H LYS A 29 -10.944 2.797 3.831 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.545 3.831 4.719 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.260 5.076 3.137 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.727 5.914 3.602 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.045 4.604 5.731 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.529 6.133 5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.949 6.956 5.539 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.098 5.525 6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.940 6.281 7.718 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.108 7.800 6.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.092 7.919 9.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.295 8.097 7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.132 6.625 8.702 1.00 0.00 H new ATOM 407 N LYS A 30 -13.761 2.285 2.307 1.00 0.00 N ATOM 408 CA LYS A 30 -14.424 1.918 1.062 1.00 0.00 C ATOM 409 C LYS A 30 -15.536 0.905 1.316 1.00 0.00 C ATOM 410 O LYS A 30 -16.679 1.106 0.904 1.00 0.00 O ATOM 411 CB LYS A 30 -13.411 1.341 0.070 1.00 0.00 C ATOM 412 CG LYS A 30 -14.050 0.714 -1.157 1.00 0.00 C ATOM 413 CD LYS A 30 -14.377 1.759 -2.211 1.00 0.00 C ATOM 414 CE LYS A 30 -15.620 1.383 -3.003 1.00 0.00 C ATOM 415 NZ LYS A 30 -15.951 2.405 -4.034 1.00 0.00 N ATOM 0 H LYS A 30 -13.540 1.496 2.915 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.867 2.819 0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.735 2.134 -0.248 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.805 0.590 0.578 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.376 -0.031 -1.579 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -14.961 0.191 -0.867 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.529 2.726 -1.731 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.531 1.869 -2.890 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.465 0.418 -3.485 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.463 1.268 -2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.804 2.112 -4.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.124 3.321 -3.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.157 2.497 -4.699 1.00 0.00 H new ATOM 429 N CYS A 31 -15.194 -0.184 1.996 1.00 0.00 N ATOM 430 CA CYS A 31 -16.163 -1.228 2.307 1.00 0.00 C ATOM 431 C CYS A 31 -16.650 -1.108 3.748 1.00 0.00 C ATOM 432 O CYS A 31 -17.636 -1.734 4.135 1.00 0.00 O ATOM 433 CB CYS A 31 -15.545 -2.609 2.079 1.00 0.00 C ATOM 434 SG CYS A 31 -14.104 -2.963 3.135 1.00 0.00 S ATOM 0 H CYS A 31 -14.252 -0.367 2.342 1.00 0.00 H new ATOM 0 HA CYS A 31 -17.018 -1.105 1.643 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -16.306 -3.369 2.255 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.246 -2.693 1.034 1.00 0.00 H new ATOM 439 N SER A 32 -15.951 -0.298 4.537 1.00 0.00 N ATOM 440 CA SER A 32 -16.309 -0.098 5.936 1.00 0.00 C ATOM 441 C SER A 32 -16.074 -1.370 6.745 1.00 0.00 C ATOM 442 O SER A 32 -16.929 -1.790 7.524 1.00 0.00 O ATOM 443 CB SER A 32 -17.773 0.331 6.053 1.00 0.00 C ATOM 444 OG SER A 32 -18.003 1.036 7.261 1.00 0.00 O ATOM 0 H SER A 32 -15.134 0.230 4.231 1.00 0.00 H new ATOM 0 HA SER A 32 -15.673 0.690 6.339 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.040 0.961 5.204 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.417 -0.547 6.013 1.00 0.00 H new ATOM 0 HG SER A 32 -18.945 1.300 7.311 1.00 0.00 H new ATOM 450 N GLU A 33 -14.907 -1.978 6.553 1.00 0.00 N ATOM 451 CA GLU A 33 -14.559 -3.203 7.264 1.00 0.00 C ATOM 452 C GLU A 33 -13.223 -3.053 7.985 1.00 0.00 C ATOM 453 O GLU A 33 -12.533 -2.044 7.832 1.00 0.00 O ATOM 454 CB GLU A 33 -14.497 -4.383 6.291 1.00 0.00 C ATOM 455 CG GLU A 33 -15.838 -4.728 5.667 1.00 0.00 C ATOM 456 CD GLU A 33 -16.639 -5.705 6.507 1.00 0.00 C ATOM 457 OE1 GLU A 33 -17.325 -5.253 7.448 1.00 0.00 O ATOM 458 OE2 GLU A 33 -16.579 -6.919 6.224 1.00 0.00 O ATOM 0 H GLU A 33 -14.188 -1.643 5.912 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.333 -3.394 8.007 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.785 -4.152 5.498 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.115 -5.258 6.818 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.416 -3.814 5.529 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.675 -5.154 4.677 1.00 0.00 H new ATOM 465 N SER A 34 -12.864 -4.063 8.771 1.00 0.00 N ATOM 466 CA SER A 34 -11.613 -4.042 9.519 1.00 0.00 C ATOM 467 C SER A 34 -10.497 -4.721 8.731 1.00 0.00 C ATOM 468 O SER A 34 -10.449 -5.948 8.634 1.00 0.00 O ATOM 469 CB SER A 34 -11.792 -4.734 10.872 1.00 0.00 C ATOM 470 OG SER A 34 -12.290 -6.051 10.709 1.00 0.00 O ATOM 0 H SER A 34 -13.422 -4.906 8.906 1.00 0.00 H new ATOM 0 HA SER A 34 -11.335 -3.001 9.685 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.837 -4.765 11.397 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.478 -4.156 11.492 1.00 0.00 H new ATOM 0 HG SER A 34 -11.843 -6.478 9.949 1.00 0.00 H new ATOM 476 N ILE A 35 -9.602 -3.915 8.170 1.00 0.00 N ATOM 477 CA ILE A 35 -8.486 -4.437 7.392 1.00 0.00 C ATOM 478 C ILE A 35 -7.712 -5.490 8.178 1.00 0.00 C ATOM 479 O ILE A 35 -7.332 -5.284 9.331 1.00 0.00 O ATOM 480 CB ILE A 35 -7.520 -3.314 6.969 1.00 0.00 C ATOM 481 CG1 ILE A 35 -8.247 -2.287 6.099 1.00 0.00 C ATOM 482 CG2 ILE A 35 -6.326 -3.895 6.227 1.00 0.00 C ATOM 483 CD1 ILE A 35 -7.553 -0.944 6.043 1.00 0.00 C ATOM 0 H ILE A 35 -9.628 -2.898 8.240 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.911 -4.894 6.499 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.156 -2.810 7.865 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.341 -2.681 5.087 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.258 -2.149 6.482 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.652 -3.090 5.934 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.797 -4.592 6.877 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.671 -4.420 5.337 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.124 -0.266 5.409 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.483 -0.528 7.048 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.551 -1.069 5.632 1.00 0.00 H new ATOM 495 N PRO A 36 -7.471 -6.645 7.541 1.00 0.00 N ATOM 496 CA PRO A 36 -6.738 -7.753 8.161 1.00 0.00 C ATOM 497 C PRO A 36 -5.258 -7.435 8.350 1.00 0.00 C ATOM 498 O PRO A 36 -4.692 -6.614 7.628 1.00 0.00 O ATOM 499 CB PRO A 36 -6.915 -8.899 7.162 1.00 0.00 C ATOM 500 CG PRO A 36 -7.150 -8.228 5.853 1.00 0.00 C ATOM 501 CD PRO A 36 -7.895 -6.959 6.166 1.00 0.00 C ATOM 0 HA PRO A 36 -7.110 -7.979 9.160 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.030 -9.534 7.128 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.755 -9.537 7.436 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.207 -8.013 5.350 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.729 -8.866 5.186 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.635 -6.159 5.473 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.974 -7.100 6.100 1.00 0.00 H new ATOM 509 N LYS A 37 -4.637 -8.090 9.325 1.00 0.00 N ATOM 510 CA LYS A 37 -3.222 -7.879 9.609 1.00 0.00 C ATOM 511 C LYS A 37 -2.349 -8.617 8.599 1.00 0.00 C ATOM 512 O LYS A 37 -2.805 -9.546 7.932 1.00 0.00 O ATOM 513 CB LYS A 37 -2.890 -8.348 11.027 1.00 0.00 C ATOM 514 CG LYS A 37 -1.424 -8.188 11.392 1.00 0.00 C ATOM 515 CD LYS A 37 -1.175 -8.519 12.854 1.00 0.00 C ATOM 516 CE LYS A 37 -1.028 -10.018 13.069 1.00 0.00 C ATOM 517 NZ LYS A 37 -0.588 -10.338 14.455 1.00 0.00 N ATOM 0 H LYS A 37 -5.092 -8.772 9.932 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.016 -6.812 9.529 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.496 -7.787 11.738 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.169 -9.397 11.129 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.818 -8.839 10.762 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.107 -7.165 11.190 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.273 -8.011 13.195 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.000 -8.143 13.459 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.980 -10.509 12.868 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.306 -10.418 12.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.499 -11.369 14.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.333 -9.890 14.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.289 -9.979 15.134 1.00 0.00 H new ATOM 531 N ASP A 38 -1.092 -8.200 8.494 1.00 0.00 N ATOM 532 CA ASP A 38 -0.154 -8.823 7.568 1.00 0.00 C ATOM 533 C ASP A 38 -0.792 -9.015 6.196 1.00 0.00 C ATOM 534 O ASP A 38 -0.626 -10.058 5.563 1.00 0.00 O ATOM 535 CB ASP A 38 0.318 -10.171 8.117 1.00 0.00 C ATOM 536 CG ASP A 38 -0.830 -11.129 8.366 1.00 0.00 C ATOM 537 OD1 ASP A 38 -1.497 -10.998 9.413 1.00 0.00 O ATOM 538 OD2 ASP A 38 -1.062 -12.010 7.512 1.00 0.00 O ATOM 0 H ASP A 38 -0.699 -7.433 9.039 1.00 0.00 H new ATOM 0 HA ASP A 38 0.706 -8.162 7.460 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.017 -10.622 7.413 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.862 -10.011 9.048 1.00 0.00 H new ATOM 543 N SER A 39 -1.523 -8.002 5.742 1.00 0.00 N ATOM 544 CA SER A 39 -2.190 -8.061 4.446 1.00 0.00 C ATOM 545 C SER A 39 -1.762 -6.893 3.562 1.00 0.00 C ATOM 546 O SER A 39 -1.397 -5.826 4.056 1.00 0.00 O ATOM 547 CB SER A 39 -3.709 -8.046 4.630 1.00 0.00 C ATOM 548 OG SER A 39 -4.180 -6.733 4.880 1.00 0.00 O ATOM 0 H SER A 39 -1.669 -7.131 6.252 1.00 0.00 H new ATOM 0 HA SER A 39 -1.899 -8.991 3.957 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.190 -8.444 3.737 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.984 -8.698 5.459 1.00 0.00 H new ATOM 0 HG SER A 39 -4.394 -6.638 5.832 1.00 0.00 H new ATOM 554 N LEU A 40 -1.810 -7.105 2.251 1.00 0.00 N ATOM 555 CA LEU A 40 -1.428 -6.071 1.295 1.00 0.00 C ATOM 556 C LEU A 40 -2.509 -5.000 1.189 1.00 0.00 C ATOM 557 O LEU A 40 -3.592 -5.248 0.658 1.00 0.00 O ATOM 558 CB LEU A 40 -1.171 -6.690 -0.080 1.00 0.00 C ATOM 559 CG LEU A 40 -0.548 -5.765 -1.127 1.00 0.00 C ATOM 560 CD1 LEU A 40 0.931 -5.556 -0.842 1.00 0.00 C ATOM 561 CD2 LEU A 40 -0.750 -6.330 -2.525 1.00 0.00 C ATOM 0 H LEU A 40 -2.109 -7.983 1.826 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.512 -5.601 1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.517 -7.553 0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.118 -7.063 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.047 -4.797 -1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.357 -4.895 -1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.052 -5.106 0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.446 -6.516 -0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.301 -5.659 -3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.278 -7.310 -2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.817 -6.426 -2.728 1.00 0.00 H new ATOM 573 N ARG A 41 -2.208 -3.810 1.696 1.00 0.00 N ATOM 574 CA ARG A 41 -3.154 -2.701 1.658 1.00 0.00 C ATOM 575 C ARG A 41 -2.501 -1.450 1.077 1.00 0.00 C ATOM 576 O ARG A 41 -1.277 -1.362 0.985 1.00 0.00 O ATOM 577 CB ARG A 41 -3.686 -2.407 3.062 1.00 0.00 C ATOM 578 CG ARG A 41 -2.609 -1.970 4.042 1.00 0.00 C ATOM 579 CD ARG A 41 -3.213 -1.365 5.299 1.00 0.00 C ATOM 580 NE ARG A 41 -2.228 -0.616 6.074 1.00 0.00 N ATOM 581 CZ ARG A 41 -2.400 -0.273 7.346 1.00 0.00 C ATOM 582 NH1 ARG A 41 -3.513 -0.610 7.983 1.00 0.00 N ATOM 583 NH2 ARG A 41 -1.457 0.409 7.984 1.00 0.00 N ATOM 0 H ARG A 41 -1.316 -3.588 2.138 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.986 -2.988 1.015 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.445 -1.627 2.998 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.178 -3.299 3.449 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.990 -2.826 4.310 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.955 -1.241 3.564 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.036 -0.705 5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.633 -2.158 5.917 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.360 -0.341 5.614 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.240 -1.134 7.496 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.642 -0.345 8.960 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.599 0.670 7.498 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.590 0.672 8.961 1.00 0.00 H new ATOM 597 N MET A 42 -3.328 -0.484 0.688 1.00 0.00 N ATOM 598 CA MET A 42 -2.831 0.762 0.117 1.00 0.00 C ATOM 599 C MET A 42 -3.129 1.940 1.040 1.00 0.00 C ATOM 600 O MET A 42 -3.889 1.811 1.999 1.00 0.00 O ATOM 601 CB MET A 42 -3.458 1.005 -1.257 1.00 0.00 C ATOM 602 CG MET A 42 -2.702 0.341 -2.396 1.00 0.00 C ATOM 603 SD MET A 42 -1.430 1.408 -3.100 1.00 0.00 S ATOM 604 CE MET A 42 -1.725 1.177 -4.851 1.00 0.00 C ATOM 0 H MET A 42 -4.344 -0.541 0.758 1.00 0.00 H new ATOM 0 HA MET A 42 -1.750 0.675 0.005 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.484 0.637 -1.249 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.506 2.078 -1.441 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.241 -0.578 -2.034 1.00 0.00 H new ATOM 0 HG3 MET A 42 -3.406 0.057 -3.178 1.00 0.00 H new ATOM 0 HE1 MET A 42 -0.921 0.579 -5.280 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.676 0.664 -4.995 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.758 2.148 -5.346 1.00 0.00 H new ATOM 614 N ALA A 43 -2.524 3.086 0.744 1.00 0.00 N ATOM 615 CA ALA A 43 -2.727 4.286 1.546 1.00 0.00 C ATOM 616 C ALA A 43 -2.892 5.516 0.661 1.00 0.00 C ATOM 617 O ALA A 43 -2.336 5.583 -0.435 1.00 0.00 O ATOM 618 CB ALA A 43 -1.565 4.478 2.510 1.00 0.00 C ATOM 0 H ALA A 43 -1.889 3.208 -0.045 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.645 4.159 2.121 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.729 5.378 3.103 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.495 3.615 3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.638 4.579 1.946 1.00 0.00 H new ATOM 624 N ILE A 44 -3.660 6.487 1.144 1.00 0.00 N ATOM 625 CA ILE A 44 -3.898 7.716 0.396 1.00 0.00 C ATOM 626 C ILE A 44 -3.858 8.934 1.312 1.00 0.00 C ATOM 627 O ILE A 44 -4.618 9.023 2.276 1.00 0.00 O ATOM 628 CB ILE A 44 -5.255 7.679 -0.331 1.00 0.00 C ATOM 629 CG1 ILE A 44 -5.300 6.506 -1.314 1.00 0.00 C ATOM 630 CG2 ILE A 44 -5.504 8.993 -1.055 1.00 0.00 C ATOM 631 CD1 ILE A 44 -6.703 6.058 -1.656 1.00 0.00 C ATOM 0 H ILE A 44 -4.128 6.447 2.049 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.101 7.794 -0.343 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.043 7.539 0.409 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.785 6.791 -2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.752 5.665 -0.889 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.467 8.951 -1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.510 9.810 -0.334 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.714 9.161 -1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.658 5.224 -2.357 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.215 5.741 -0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.248 6.885 -2.111 1.00 0.00 H new ATOM 643 N MET A 45 -2.967 9.871 1.004 1.00 0.00 N ATOM 644 CA MET A 45 -2.831 11.086 1.798 1.00 0.00 C ATOM 645 C MET A 45 -3.905 12.103 1.426 1.00 0.00 C ATOM 646 O MET A 45 -3.800 12.788 0.409 1.00 0.00 O ATOM 647 CB MET A 45 -1.443 11.698 1.599 1.00 0.00 C ATOM 648 CG MET A 45 -0.350 10.994 2.387 1.00 0.00 C ATOM 649 SD MET A 45 0.113 11.888 3.883 1.00 0.00 S ATOM 650 CE MET A 45 -1.088 11.246 5.047 1.00 0.00 C ATOM 0 H MET A 45 -2.329 9.812 0.211 1.00 0.00 H new ATOM 0 HA MET A 45 -2.956 10.819 2.847 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.191 11.670 0.539 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.472 12.748 1.892 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.689 9.994 2.656 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.529 10.873 1.754 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.795 11.520 6.060 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.069 11.667 4.827 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.132 10.160 4.963 1.00 0.00 H new ATOM 660 N VAL A 46 -4.940 12.195 2.256 1.00 0.00 N ATOM 661 CA VAL A 46 -6.033 13.128 2.015 1.00 0.00 C ATOM 662 C VAL A 46 -6.172 14.122 3.163 1.00 0.00 C ATOM 663 O VAL A 46 -5.533 13.974 4.204 1.00 0.00 O ATOM 664 CB VAL A 46 -7.371 12.389 1.826 1.00 0.00 C ATOM 665 CG1 VAL A 46 -7.349 11.562 0.549 1.00 0.00 C ATOM 666 CG2 VAL A 46 -7.670 11.512 3.033 1.00 0.00 C ATOM 0 H VAL A 46 -5.044 11.634 3.102 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.791 13.667 1.099 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.166 13.130 1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.303 11.047 0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.184 12.217 -0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.545 10.828 0.605 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.619 10.997 2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.874 10.777 3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.731 12.132 3.927 1.00 0.00 H new ATOM 676 N GLN A 47 -7.010 15.134 2.964 1.00 0.00 N ATOM 677 CA GLN A 47 -7.232 16.152 3.984 1.00 0.00 C ATOM 678 C GLN A 47 -8.504 15.863 4.774 1.00 0.00 C ATOM 679 O GLN A 47 -9.601 15.839 4.217 1.00 0.00 O ATOM 680 CB GLN A 47 -7.321 17.537 3.340 1.00 0.00 C ATOM 681 CG GLN A 47 -7.670 18.643 4.323 1.00 0.00 C ATOM 682 CD GLN A 47 -6.454 19.184 5.049 1.00 0.00 C ATOM 683 OE1 GLN A 47 -5.325 19.052 4.576 1.00 0.00 O ATOM 684 NE2 GLN A 47 -6.679 19.799 6.204 1.00 0.00 N ATOM 0 H GLN A 47 -7.546 15.271 2.107 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.387 16.132 4.672 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.367 17.770 2.867 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.072 17.514 2.550 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.161 19.456 3.789 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.385 18.263 5.053 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.631 19.886 6.559 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.899 20.185 6.737 1.00 0.00 H new ATOM 693 N SER A 48 -8.349 15.644 6.076 1.00 0.00 N ATOM 694 CA SER A 48 -9.484 15.352 6.943 1.00 0.00 C ATOM 695 C SER A 48 -10.285 16.618 7.234 1.00 0.00 C ATOM 696 O SER A 48 -9.745 17.642 7.653 1.00 0.00 O ATOM 697 CB SER A 48 -9.005 14.726 8.254 1.00 0.00 C ATOM 698 OG SER A 48 -10.088 14.512 9.143 1.00 0.00 O ATOM 0 H SER A 48 -7.448 15.663 6.554 1.00 0.00 H new ATOM 0 HA SER A 48 -10.131 14.643 6.426 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.507 13.779 8.048 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.268 15.377 8.724 1.00 0.00 H new ATOM 0 HG SER A 48 -9.834 13.843 9.813 1.00 0.00 H new ATOM 704 N PRO A 49 -11.605 16.548 7.006 1.00 0.00 N ATOM 705 CA PRO A 49 -12.509 17.678 7.237 1.00 0.00 C ATOM 706 C PRO A 49 -12.683 17.988 8.720 1.00 0.00 C ATOM 707 O PRO A 49 -12.843 19.146 9.106 1.00 0.00 O ATOM 708 CB PRO A 49 -13.833 17.203 6.632 1.00 0.00 C ATOM 709 CG PRO A 49 -13.765 15.716 6.693 1.00 0.00 C ATOM 710 CD PRO A 49 -12.316 15.359 6.506 1.00 0.00 C ATOM 0 HA PRO A 49 -12.129 18.600 6.796 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.685 17.584 7.195 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.947 17.552 5.606 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -14.137 15.347 7.649 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -14.381 15.265 5.915 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -12.047 14.464 7.067 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.082 15.161 5.460 1.00 0.00 H new ATOM 718 N MET A 50 -12.649 16.947 9.545 1.00 0.00 N ATOM 719 CA MET A 50 -12.800 17.110 10.986 1.00 0.00 C ATOM 720 C MET A 50 -11.470 17.478 11.635 1.00 0.00 C ATOM 721 O MET A 50 -11.407 18.362 12.490 1.00 0.00 O ATOM 722 CB MET A 50 -13.348 15.826 11.611 1.00 0.00 C ATOM 723 CG MET A 50 -14.826 15.600 11.338 1.00 0.00 C ATOM 724 SD MET A 50 -15.435 14.056 12.044 1.00 0.00 S ATOM 725 CE MET A 50 -16.241 14.656 13.526 1.00 0.00 C ATOM 0 H MET A 50 -12.518 15.982 9.241 1.00 0.00 H new ATOM 0 HA MET A 50 -13.506 17.922 11.162 1.00 0.00 H new ATOM 0 HB2 MET A 50 -12.782 14.976 11.230 1.00 0.00 H new ATOM 0 HB3 MET A 50 -13.187 15.859 12.689 1.00 0.00 H new ATOM 0 HG2 MET A 50 -15.398 16.433 11.747 1.00 0.00 H new ATOM 0 HG3 MET A 50 -14.996 15.595 10.261 1.00 0.00 H new ATOM 0 HE1 MET A 50 -16.669 13.816 14.073 1.00 0.00 H new ATOM 0 HE2 MET A 50 -15.512 15.165 14.156 1.00 0.00 H new ATOM 0 HE3 MET A 50 -17.034 15.352 13.253 1.00 0.00 H new ATOM 735 N PHE A 51 -10.407 16.793 11.224 1.00 0.00 N ATOM 736 CA PHE A 51 -9.077 17.047 11.767 1.00 0.00 C ATOM 737 C PHE A 51 -8.498 18.341 11.203 1.00 0.00 C ATOM 738 O PHE A 51 -9.073 18.950 10.301 1.00 0.00 O ATOM 739 CB PHE A 51 -8.143 15.877 11.452 1.00 0.00 C ATOM 740 CG PHE A 51 -7.069 15.675 12.482 1.00 0.00 C ATOM 741 CD1 PHE A 51 -7.394 15.334 13.785 1.00 0.00 C ATOM 742 CD2 PHE A 51 -5.733 15.824 12.146 1.00 0.00 C ATOM 743 CE1 PHE A 51 -6.407 15.148 14.734 1.00 0.00 C ATOM 744 CE2 PHE A 51 -4.741 15.638 13.091 1.00 0.00 C ATOM 745 CZ PHE A 51 -5.079 15.299 14.387 1.00 0.00 C ATOM 0 H PHE A 51 -10.441 16.058 10.517 1.00 0.00 H new ATOM 0 HA PHE A 51 -9.166 17.151 12.848 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.732 14.964 11.369 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -7.677 16.045 10.481 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -8.431 15.212 14.062 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.463 16.088 11.134 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.674 14.885 15.747 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.703 15.758 12.816 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.306 15.152 15.127 1.00 0.00 H new ATOM 755 N ASP A 52 -7.356 18.755 11.741 1.00 0.00 N ATOM 756 CA ASP A 52 -6.697 19.976 11.292 1.00 0.00 C ATOM 757 C ASP A 52 -5.500 19.653 10.403 1.00 0.00 C ATOM 758 O ASP A 52 -4.445 20.275 10.515 1.00 0.00 O ATOM 759 CB ASP A 52 -6.246 20.809 12.493 1.00 0.00 C ATOM 760 CG ASP A 52 -5.561 22.096 12.081 1.00 0.00 C ATOM 761 OD1 ASP A 52 -6.224 22.946 11.450 1.00 0.00 O ATOM 762 OD2 ASP A 52 -4.362 22.255 12.389 1.00 0.00 O ATOM 0 H ASP A 52 -6.867 18.263 12.489 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.415 20.553 10.708 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.111 21.044 13.114 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.565 20.218 13.106 1.00 0.00 H new ATOM 767 N GLY A 53 -5.673 18.673 9.520 1.00 0.00 N ATOM 768 CA GLY A 53 -4.598 18.283 8.626 1.00 0.00 C ATOM 769 C GLY A 53 -4.977 17.113 7.740 1.00 0.00 C ATOM 770 O GLY A 53 -6.155 16.894 7.458 1.00 0.00 O ATOM 0 H GLY A 53 -6.537 18.143 9.408 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.322 19.133 8.002 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.718 18.020 9.213 1.00 0.00 H new ATOM 774 N LYS A 54 -3.976 16.359 7.299 1.00 0.00 N ATOM 775 CA LYS A 54 -4.209 15.205 6.439 1.00 0.00 C ATOM 776 C LYS A 54 -4.142 13.908 7.239 1.00 0.00 C ATOM 777 O LYS A 54 -3.485 13.841 8.278 1.00 0.00 O ATOM 778 CB LYS A 54 -3.180 15.171 5.306 1.00 0.00 C ATOM 779 CG LYS A 54 -3.421 16.221 4.235 1.00 0.00 C ATOM 780 CD LYS A 54 -2.904 15.764 2.881 1.00 0.00 C ATOM 781 CE LYS A 54 -3.179 16.799 1.801 1.00 0.00 C ATOM 782 NZ LYS A 54 -2.945 16.253 0.436 1.00 0.00 N ATOM 0 H LYS A 54 -2.995 16.526 7.523 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.208 15.297 6.012 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.184 15.314 5.726 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.192 14.184 4.845 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.488 16.433 4.166 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.929 17.151 4.519 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.832 15.578 2.944 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.376 14.820 2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.210 17.143 1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.539 17.667 1.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.143 16.989 -0.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.955 15.948 0.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.573 15.440 0.275 1.00 0.00 H new ATOM 796 N VAL A 55 -4.825 12.879 6.748 1.00 0.00 N ATOM 797 CA VAL A 55 -4.841 11.583 7.416 1.00 0.00 C ATOM 798 C VAL A 55 -4.679 10.446 6.413 1.00 0.00 C ATOM 799 O VAL A 55 -5.270 10.449 5.333 1.00 0.00 O ATOM 800 CB VAL A 55 -6.146 11.375 8.206 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.249 12.380 9.343 1.00 0.00 C ATOM 802 CG2 VAL A 55 -7.350 11.479 7.281 1.00 0.00 C ATOM 0 H VAL A 55 -5.375 12.918 5.890 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.000 11.574 8.110 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.133 10.374 8.638 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.178 12.217 9.890 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.403 12.253 10.019 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.240 13.391 8.937 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.264 11.329 7.855 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.369 12.466 6.819 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.280 10.716 6.506 1.00 0.00 H new ATOM 812 N PRO A 56 -3.860 9.448 6.777 1.00 0.00 N ATOM 813 CA PRO A 56 -3.601 8.285 5.924 1.00 0.00 C ATOM 814 C PRO A 56 -4.818 7.373 5.804 1.00 0.00 C ATOM 815 O PRO A 56 -5.239 6.751 6.780 1.00 0.00 O ATOM 816 CB PRO A 56 -2.461 7.562 6.645 1.00 0.00 C ATOM 817 CG PRO A 56 -2.595 7.972 8.071 1.00 0.00 C ATOM 818 CD PRO A 56 -3.122 9.379 8.050 1.00 0.00 C ATOM 0 HA PRO A 56 -3.360 8.575 4.901 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.545 6.481 6.534 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.491 7.849 6.240 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.275 7.309 8.605 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.634 7.923 8.583 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.772 9.578 8.902 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.315 10.111 8.087 1.00 0.00 H new ATOM 826 N HIS A 57 -5.378 7.297 4.601 1.00 0.00 N ATOM 827 CA HIS A 57 -6.546 6.460 4.353 1.00 0.00 C ATOM 828 C HIS A 57 -6.132 5.100 3.800 1.00 0.00 C ATOM 829 O HIS A 57 -5.644 4.999 2.674 1.00 0.00 O ATOM 830 CB HIS A 57 -7.499 7.152 3.377 1.00 0.00 C ATOM 831 CG HIS A 57 -8.377 8.178 4.024 1.00 0.00 C ATOM 832 ND1 HIS A 57 -9.539 8.646 3.447 1.00 0.00 N ATOM 833 CD2 HIS A 57 -8.259 8.826 5.206 1.00 0.00 C ATOM 834 CE1 HIS A 57 -10.096 9.539 4.245 1.00 0.00 C ATOM 835 NE2 HIS A 57 -9.339 9.666 5.320 1.00 0.00 N ATOM 0 H HIS A 57 -5.042 7.805 3.783 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.059 6.306 5.302 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.916 7.629 2.589 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.125 6.399 2.898 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -7.463 8.705 5.926 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -11.014 10.074 4.052 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -9.526 10.287 6.107 1.00 0.00 H new ATOM 843 N TRP A 58 -6.329 4.057 4.598 1.00 0.00 N ATOM 844 CA TRP A 58 -5.975 2.703 4.188 1.00 0.00 C ATOM 845 C TRP A 58 -7.115 2.054 3.409 1.00 0.00 C ATOM 846 O TRP A 58 -8.275 2.121 3.817 1.00 0.00 O ATOM 847 CB TRP A 58 -5.628 1.852 5.411 1.00 0.00 C ATOM 848 CG TRP A 58 -4.460 2.378 6.189 1.00 0.00 C ATOM 849 CD1 TRP A 58 -4.501 3.025 7.391 1.00 0.00 C ATOM 850 CD2 TRP A 58 -3.080 2.304 5.817 1.00 0.00 C ATOM 851 NE1 TRP A 58 -3.229 3.358 7.789 1.00 0.00 N ATOM 852 CE2 TRP A 58 -2.339 2.926 6.841 1.00 0.00 C ATOM 853 CE3 TRP A 58 -2.397 1.772 4.720 1.00 0.00 C ATOM 854 CZ2 TRP A 58 -0.951 3.029 6.798 1.00 0.00 C ATOM 855 CZ3 TRP A 58 -1.020 1.875 4.679 1.00 0.00 C ATOM 856 CH2 TRP A 58 -0.309 2.499 5.712 1.00 0.00 C ATOM 0 H TRP A 58 -6.732 4.123 5.533 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.103 2.764 3.537 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -6.497 1.799 6.066 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -5.411 0.834 5.087 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -5.401 3.243 7.947 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.986 3.847 8.650 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.936 1.289 3.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.401 3.510 7.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.482 1.467 3.836 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.767 2.563 5.650 1.00 0.00 H new ATOM 867 N TYR A 59 -6.777 1.428 2.288 1.00 0.00 N ATOM 868 CA TYR A 59 -7.773 0.769 1.451 1.00 0.00 C ATOM 869 C TYR A 59 -7.326 -0.641 1.080 1.00 0.00 C ATOM 870 O TYR A 59 -6.131 -0.920 0.978 1.00 0.00 O ATOM 871 CB TYR A 59 -8.025 1.587 0.182 1.00 0.00 C ATOM 872 CG TYR A 59 -8.664 2.931 0.445 1.00 0.00 C ATOM 873 CD1 TYR A 59 -10.044 3.060 0.540 1.00 0.00 C ATOM 874 CD2 TYR A 59 -7.887 4.073 0.600 1.00 0.00 C ATOM 875 CE1 TYR A 59 -10.632 4.287 0.779 1.00 0.00 C ATOM 876 CE2 TYR A 59 -8.467 5.304 0.841 1.00 0.00 C ATOM 877 CZ TYR A 59 -9.839 5.406 0.929 1.00 0.00 C ATOM 878 OH TYR A 59 -10.421 6.629 1.169 1.00 0.00 O ATOM 0 H TYR A 59 -5.821 1.363 1.937 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.700 0.699 2.020 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.078 1.739 -0.336 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.666 1.014 -0.488 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.668 2.186 0.425 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.812 3.997 0.531 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -11.707 4.370 0.848 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.849 6.181 0.960 1.00 0.00 H new ATOM 0 HH TYR A 59 -9.962 7.069 1.915 1.00 0.00 H new ATOM 888 N HIS A 60 -8.296 -1.528 0.879 1.00 0.00 N ATOM 889 CA HIS A 60 -8.004 -2.911 0.518 1.00 0.00 C ATOM 890 C HIS A 60 -7.416 -2.993 -0.888 1.00 0.00 C ATOM 891 O HIS A 60 -7.596 -2.086 -1.701 1.00 0.00 O ATOM 892 CB HIS A 60 -9.272 -3.761 0.603 1.00 0.00 C ATOM 893 CG HIS A 60 -9.617 -4.182 1.998 1.00 0.00 C ATOM 894 ND1 HIS A 60 -10.713 -3.698 2.681 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.005 -5.049 2.839 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.760 -4.248 3.881 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.734 -5.072 4.002 1.00 0.00 N ATOM 0 H HIS A 60 -9.290 -1.314 0.960 1.00 0.00 H new ATOM 0 HA HIS A 60 -7.269 -3.297 1.224 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.106 -3.197 0.185 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.146 -4.650 -0.016 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.110 -5.617 2.633 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.509 -4.057 4.635 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -9.519 -5.634 4.826 1.00 0.00 H new ATOM 905 N PHE A 61 -6.712 -4.085 -1.167 1.00 0.00 N ATOM 906 CA PHE A 61 -6.096 -4.285 -2.473 1.00 0.00 C ATOM 907 C PHE A 61 -7.079 -3.958 -3.594 1.00 0.00 C ATOM 908 O PHE A 61 -6.708 -3.364 -4.606 1.00 0.00 O ATOM 909 CB PHE A 61 -5.606 -5.727 -2.615 1.00 0.00 C ATOM 910 CG PHE A 61 -4.708 -5.942 -3.800 1.00 0.00 C ATOM 911 CD1 PHE A 61 -3.625 -5.108 -4.025 1.00 0.00 C ATOM 912 CD2 PHE A 61 -4.948 -6.978 -4.688 1.00 0.00 C ATOM 913 CE1 PHE A 61 -2.797 -5.303 -5.114 1.00 0.00 C ATOM 914 CE2 PHE A 61 -4.122 -7.178 -5.779 1.00 0.00 C ATOM 915 CZ PHE A 61 -3.046 -6.339 -5.993 1.00 0.00 C ATOM 0 H PHE A 61 -6.554 -4.845 -0.506 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.244 -3.610 -2.551 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.072 -6.012 -1.708 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.468 -6.389 -2.698 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.426 -4.296 -3.341 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.789 -7.636 -4.527 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.956 -4.646 -5.278 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.318 -7.990 -6.463 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.401 -6.493 -6.845 1.00 0.00 H new ATOM 925 N SER A 62 -8.335 -4.350 -3.405 1.00 0.00 N ATOM 926 CA SER A 62 -9.371 -4.103 -4.400 1.00 0.00 C ATOM 927 C SER A 62 -10.049 -2.758 -4.156 1.00 0.00 C ATOM 928 O SER A 62 -10.183 -1.943 -5.069 1.00 0.00 O ATOM 929 CB SER A 62 -10.412 -5.224 -4.373 1.00 0.00 C ATOM 930 OG SER A 62 -11.183 -5.176 -3.185 1.00 0.00 O ATOM 0 H SER A 62 -8.659 -4.840 -2.571 1.00 0.00 H new ATOM 0 HA SER A 62 -8.899 -4.079 -5.382 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.068 -5.137 -5.239 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.913 -6.190 -4.447 1.00 0.00 H new ATOM 0 HG SER A 62 -11.842 -5.901 -3.193 1.00 0.00 H new ATOM 936 N CYS A 63 -10.476 -2.534 -2.918 1.00 0.00 N ATOM 937 CA CYS A 63 -11.141 -1.290 -2.552 1.00 0.00 C ATOM 938 C CYS A 63 -10.387 -0.085 -3.108 1.00 0.00 C ATOM 939 O CYS A 63 -10.975 0.792 -3.741 1.00 0.00 O ATOM 940 CB CYS A 63 -11.254 -1.176 -1.030 1.00 0.00 C ATOM 941 SG CYS A 63 -12.464 -2.317 -0.287 1.00 0.00 S ATOM 0 H CYS A 63 -10.373 -3.198 -2.151 1.00 0.00 H new ATOM 0 HA CYS A 63 -12.141 -1.302 -2.985 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.275 -1.364 -0.589 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.529 -0.153 -0.772 1.00 0.00 H new ATOM 946 N PHE A 64 -9.080 -0.050 -2.868 1.00 0.00 N ATOM 947 CA PHE A 64 -8.245 1.046 -3.344 1.00 0.00 C ATOM 948 C PHE A 64 -8.508 1.330 -4.820 1.00 0.00 C ATOM 949 O PHE A 64 -8.446 2.477 -5.263 1.00 0.00 O ATOM 950 CB PHE A 64 -6.765 0.717 -3.133 1.00 0.00 C ATOM 951 CG PHE A 64 -5.838 1.806 -3.590 1.00 0.00 C ATOM 952 CD1 PHE A 64 -5.407 1.860 -4.906 1.00 0.00 C ATOM 953 CD2 PHE A 64 -5.396 2.775 -2.704 1.00 0.00 C ATOM 954 CE1 PHE A 64 -4.553 2.860 -5.329 1.00 0.00 C ATOM 955 CE2 PHE A 64 -4.542 3.779 -3.122 1.00 0.00 C ATOM 956 CZ PHE A 64 -4.121 3.822 -4.436 1.00 0.00 C ATOM 0 H PHE A 64 -8.577 -0.768 -2.347 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.498 1.937 -2.770 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.591 0.524 -2.074 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.525 -0.202 -3.668 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -5.743 1.112 -5.609 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.722 2.746 -1.675 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.223 2.890 -6.357 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.205 4.529 -2.421 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.455 4.606 -4.765 1.00 0.00 H new ATOM 966 N TRP A 65 -8.802 0.277 -5.575 1.00 0.00 N ATOM 967 CA TRP A 65 -9.075 0.413 -7.001 1.00 0.00 C ATOM 968 C TRP A 65 -10.540 0.759 -7.245 1.00 0.00 C ATOM 969 O TRP A 65 -10.871 1.466 -8.196 1.00 0.00 O ATOM 970 CB TRP A 65 -8.715 -0.880 -7.735 1.00 0.00 C ATOM 971 CG TRP A 65 -7.292 -1.305 -7.527 1.00 0.00 C ATOM 972 CD1 TRP A 65 -6.859 -2.485 -6.995 1.00 0.00 C ATOM 973 CD2 TRP A 65 -6.118 -0.550 -7.846 1.00 0.00 C ATOM 974 NE1 TRP A 65 -5.485 -2.510 -6.963 1.00 0.00 N ATOM 975 CE2 TRP A 65 -5.007 -1.336 -7.480 1.00 0.00 C ATOM 976 CE3 TRP A 65 -5.896 0.710 -8.406 1.00 0.00 C ATOM 977 CZ2 TRP A 65 -3.696 -0.899 -7.657 1.00 0.00 C ATOM 978 CZ3 TRP A 65 -4.595 1.143 -8.580 1.00 0.00 C ATOM 979 CH2 TRP A 65 -3.509 0.340 -8.208 1.00 0.00 C ATOM 0 H TRP A 65 -8.857 -0.679 -5.224 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.460 1.226 -7.387 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -9.378 -1.677 -7.398 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.894 -0.746 -8.802 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.501 -3.282 -6.650 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -4.914 -3.279 -6.611 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.727 1.335 -8.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.857 -1.516 -7.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -4.413 2.117 -9.010 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -2.504 0.706 -8.359 1.00 0.00 H new ATOM 990 N LYS A 66 -11.414 0.256 -6.380 1.00 0.00 N ATOM 991 CA LYS A 66 -12.844 0.512 -6.500 1.00 0.00 C ATOM 992 C LYS A 66 -13.125 2.011 -6.558 1.00 0.00 C ATOM 993 O LYS A 66 -13.808 2.489 -7.463 1.00 0.00 O ATOM 994 CB LYS A 66 -13.596 -0.112 -5.322 1.00 0.00 C ATOM 995 CG LYS A 66 -13.540 -1.630 -5.301 1.00 0.00 C ATOM 996 CD LYS A 66 -14.736 -2.222 -4.574 1.00 0.00 C ATOM 997 CE LYS A 66 -14.442 -3.627 -4.070 1.00 0.00 C ATOM 998 NZ LYS A 66 -14.404 -4.618 -5.180 1.00 0.00 N ATOM 0 H LYS A 66 -11.156 -0.332 -5.587 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.192 0.058 -7.428 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.179 0.272 -4.391 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.638 0.204 -5.358 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -13.511 -2.008 -6.323 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -12.620 -1.954 -4.814 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.006 -1.582 -3.734 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -15.595 -2.247 -5.245 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.486 -3.632 -3.546 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.203 -3.920 -3.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.201 -5.563 -4.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -15.324 -4.632 -5.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.660 -4.353 -5.857 1.00 0.00 H new ATOM 1012 N VAL A 67 -12.592 2.747 -5.588 1.00 0.00 N ATOM 1013 CA VAL A 67 -12.783 4.191 -5.531 1.00 0.00 C ATOM 1014 C VAL A 67 -12.500 4.836 -6.883 1.00 0.00 C ATOM 1015 O VAL A 67 -13.233 5.720 -7.326 1.00 0.00 O ATOM 1016 CB VAL A 67 -11.874 4.836 -4.467 1.00 0.00 C ATOM 1017 CG1 VAL A 67 -12.284 4.387 -3.073 1.00 0.00 C ATOM 1018 CG2 VAL A 67 -10.416 4.499 -4.738 1.00 0.00 C ATOM 0 H VAL A 67 -12.024 2.367 -4.831 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.825 4.362 -5.260 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.989 5.919 -4.522 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.631 4.852 -2.334 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -13.316 4.684 -2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.199 3.303 -3.000 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.788 4.962 -3.977 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.281 3.418 -4.710 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.132 4.875 -5.721 1.00 0.00 H new ATOM 1028 N GLY A 68 -11.432 4.388 -7.535 1.00 0.00 N ATOM 1029 CA GLY A 68 -11.071 4.933 -8.831 1.00 0.00 C ATOM 1030 C GLY A 68 -9.736 5.649 -8.808 1.00 0.00 C ATOM 1031 O GLY A 68 -9.605 6.752 -9.340 1.00 0.00 O ATOM 0 H GLY A 68 -10.810 3.657 -7.189 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.034 4.126 -9.563 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.846 5.626 -9.159 1.00 0.00 H new ATOM 1035 N HIS A 69 -8.741 5.023 -8.187 1.00 0.00 N ATOM 1036 CA HIS A 69 -7.408 5.609 -8.095 1.00 0.00 C ATOM 1037 C HIS A 69 -6.434 4.892 -9.025 1.00 0.00 C ATOM 1038 O HIS A 69 -5.851 3.871 -8.662 1.00 0.00 O ATOM 1039 CB HIS A 69 -6.898 5.544 -6.655 1.00 0.00 C ATOM 1040 CG HIS A 69 -7.297 6.724 -5.824 1.00 0.00 C ATOM 1041 ND1 HIS A 69 -6.929 8.018 -6.129 1.00 0.00 N ATOM 1042 CD2 HIS A 69 -8.038 6.801 -4.694 1.00 0.00 C ATOM 1043 CE1 HIS A 69 -7.426 8.839 -5.221 1.00 0.00 C ATOM 1044 NE2 HIS A 69 -8.103 8.126 -4.339 1.00 0.00 N ATOM 0 H HIS A 69 -8.832 4.111 -7.740 1.00 0.00 H new ATOM 0 HA HIS A 69 -7.475 6.653 -8.402 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.275 4.635 -6.186 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -5.811 5.469 -6.667 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -8.493 5.974 -4.169 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -7.300 9.911 -5.203 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -8.594 8.499 -3.526 1.00 0.00 H new ATOM 1052 N SER A 70 -6.264 5.434 -10.227 1.00 0.00 N ATOM 1053 CA SER A 70 -5.364 4.844 -11.211 1.00 0.00 C ATOM 1054 C SER A 70 -3.921 5.266 -10.951 1.00 0.00 C ATOM 1055 O SER A 70 -3.667 6.341 -10.406 1.00 0.00 O ATOM 1056 CB SER A 70 -5.780 5.254 -12.625 1.00 0.00 C ATOM 1057 OG SER A 70 -7.075 4.769 -12.936 1.00 0.00 O ATOM 0 H SER A 70 -6.738 6.280 -10.543 1.00 0.00 H new ATOM 0 HA SER A 70 -5.429 3.760 -11.121 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.765 6.340 -12.711 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.060 4.867 -13.346 1.00 0.00 H new ATOM 0 HG SER A 70 -7.001 3.894 -13.372 1.00 0.00 H new ATOM 1063 N ILE A 71 -2.982 4.414 -11.344 1.00 0.00 N ATOM 1064 CA ILE A 71 -1.565 4.698 -11.155 1.00 0.00 C ATOM 1065 C ILE A 71 -0.733 4.137 -12.304 1.00 0.00 C ATOM 1066 O ILE A 71 -0.702 2.927 -12.528 1.00 0.00 O ATOM 1067 CB ILE A 71 -1.046 4.115 -9.828 1.00 0.00 C ATOM 1068 CG1 ILE A 71 -1.760 4.770 -8.644 1.00 0.00 C ATOM 1069 CG2 ILE A 71 0.459 4.307 -9.717 1.00 0.00 C ATOM 1070 CD1 ILE A 71 -1.549 4.043 -7.334 1.00 0.00 C ATOM 0 H ILE A 71 -3.176 3.520 -11.796 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.462 5.783 -11.131 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.259 3.046 -9.811 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.409 5.797 -8.541 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.828 4.818 -8.856 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.810 3.890 -8.773 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.953 3.798 -10.545 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.694 5.371 -9.753 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.084 4.563 -6.539 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.926 3.024 -7.419 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.485 4.018 -7.099 1.00 0.00 H new ATOM 1082 N ARG A 72 -0.058 5.025 -13.027 1.00 0.00 N ATOM 1083 CA ARG A 72 0.775 4.619 -14.152 1.00 0.00 C ATOM 1084 C ARG A 72 2.022 3.884 -13.668 1.00 0.00 C ATOM 1085 O ARG A 72 2.256 2.731 -14.032 1.00 0.00 O ATOM 1086 CB ARG A 72 1.179 5.839 -14.982 1.00 0.00 C ATOM 1087 CG ARG A 72 0.087 6.327 -15.919 1.00 0.00 C ATOM 1088 CD ARG A 72 -0.089 5.391 -17.104 1.00 0.00 C ATOM 1089 NE ARG A 72 -1.145 5.844 -18.007 1.00 0.00 N ATOM 1090 CZ ARG A 72 -0.926 6.623 -19.061 1.00 0.00 C ATOM 1091 NH1 ARG A 72 0.302 7.033 -19.343 1.00 0.00 N ATOM 1092 NH2 ARG A 72 -1.939 6.992 -19.835 1.00 0.00 N ATOM 0 H ARG A 72 -0.072 6.030 -12.853 1.00 0.00 H new ATOM 0 HA ARG A 72 0.193 3.940 -14.776 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.457 6.650 -14.309 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.065 5.592 -15.567 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.853 6.406 -15.374 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.333 7.327 -16.277 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.851 5.319 -17.652 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.325 4.390 -16.743 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.102 5.546 -17.818 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.083 6.751 -18.750 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.467 7.631 -20.153 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.885 6.678 -19.621 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.771 7.590 -20.644 1.00 0.00 H new ATOM 1106 N HIS A 73 2.818 4.559 -12.845 1.00 0.00 N ATOM 1107 CA HIS A 73 4.041 3.970 -12.311 1.00 0.00 C ATOM 1108 C HIS A 73 3.975 3.865 -10.791 1.00 0.00 C ATOM 1109 O HIS A 73 4.421 4.753 -10.063 1.00 0.00 O ATOM 1110 CB HIS A 73 5.256 4.802 -12.724 1.00 0.00 C ATOM 1111 CG HIS A 73 5.321 5.076 -14.195 1.00 0.00 C ATOM 1112 ND1 HIS A 73 6.029 6.130 -14.733 1.00 0.00 N ATOM 1113 CD2 HIS A 73 4.764 4.425 -15.243 1.00 0.00 C ATOM 1114 CE1 HIS A 73 5.902 6.117 -16.048 1.00 0.00 C ATOM 1115 NE2 HIS A 73 5.140 5.092 -16.383 1.00 0.00 N ATOM 0 H HIS A 73 2.638 5.514 -12.533 1.00 0.00 H new ATOM 0 HA HIS A 73 4.141 2.966 -12.723 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.237 5.750 -12.186 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.164 4.281 -12.419 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.140 3.545 -15.192 1.00 0.00 H new ATOM 0 HE1 HIS A 73 6.346 6.825 -16.733 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.874 4.837 -17.334 1.00 0.00 H new ATOM 1123 N PRO A 74 3.404 2.756 -10.297 1.00 0.00 N ATOM 1124 CA PRO A 74 3.266 2.510 -8.859 1.00 0.00 C ATOM 1125 C PRO A 74 4.606 2.237 -8.186 1.00 0.00 C ATOM 1126 O PRO A 74 4.678 2.071 -6.968 1.00 0.00 O ATOM 1127 CB PRO A 74 2.374 1.267 -8.796 1.00 0.00 C ATOM 1128 CG PRO A 74 2.600 0.573 -10.095 1.00 0.00 C ATOM 1129 CD PRO A 74 2.851 1.657 -11.106 1.00 0.00 C ATOM 0 HA PRO A 74 2.856 3.374 -8.336 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.643 0.629 -7.954 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.326 1.538 -8.669 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.450 -0.106 -10.032 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.733 -0.027 -10.373 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.551 1.334 -11.877 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.933 1.954 -11.613 1.00 0.00 H new ATOM 1137 N ASP A 75 5.666 2.194 -8.985 1.00 0.00 N ATOM 1138 CA ASP A 75 7.006 1.943 -8.466 1.00 0.00 C ATOM 1139 C ASP A 75 7.543 3.170 -7.735 1.00 0.00 C ATOM 1140 O ASP A 75 8.145 3.055 -6.667 1.00 0.00 O ATOM 1141 CB ASP A 75 7.953 1.556 -9.603 1.00 0.00 C ATOM 1142 CG ASP A 75 8.346 2.744 -10.459 1.00 0.00 C ATOM 1143 OD1 ASP A 75 7.450 3.536 -10.822 1.00 0.00 O ATOM 1144 OD2 ASP A 75 9.548 2.883 -10.765 1.00 0.00 O ATOM 0 H ASP A 75 5.624 2.330 -9.995 1.00 0.00 H new ATOM 0 HA ASP A 75 6.946 1.117 -7.758 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.851 1.100 -9.185 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.475 0.803 -10.229 1.00 0.00 H new ATOM 1149 N VAL A 76 7.324 4.344 -8.318 1.00 0.00 N ATOM 1150 CA VAL A 76 7.786 5.592 -7.723 1.00 0.00 C ATOM 1151 C VAL A 76 6.631 6.358 -7.088 1.00 0.00 C ATOM 1152 O VAL A 76 6.812 7.058 -6.092 1.00 0.00 O ATOM 1153 CB VAL A 76 8.473 6.491 -8.767 1.00 0.00 C ATOM 1154 CG1 VAL A 76 9.759 5.849 -9.262 1.00 0.00 C ATOM 1155 CG2 VAL A 76 7.530 6.777 -9.926 1.00 0.00 C ATOM 0 H VAL A 76 6.829 4.457 -9.203 1.00 0.00 H new ATOM 0 HA VAL A 76 8.509 5.327 -6.952 1.00 0.00 H new ATOM 0 HB VAL A 76 8.728 7.439 -8.293 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.230 6.499 -9.999 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.438 5.700 -8.422 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.532 4.886 -9.720 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.032 7.414 -10.655 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.242 5.839 -10.401 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.639 7.283 -9.554 1.00 0.00 H new ATOM 1165 N GLU A 77 5.445 6.220 -7.671 1.00 0.00 N ATOM 1166 CA GLU A 77 4.260 6.901 -7.162 1.00 0.00 C ATOM 1167 C GLU A 77 3.814 6.296 -5.834 1.00 0.00 C ATOM 1168 O GLU A 77 3.701 6.996 -4.827 1.00 0.00 O ATOM 1169 CB GLU A 77 3.121 6.820 -8.180 1.00 0.00 C ATOM 1170 CG GLU A 77 3.414 7.548 -9.481 1.00 0.00 C ATOM 1171 CD GLU A 77 2.155 7.896 -10.252 1.00 0.00 C ATOM 1172 OE1 GLU A 77 1.217 7.072 -10.260 1.00 0.00 O ATOM 1173 OE2 GLU A 77 2.109 8.993 -10.848 1.00 0.00 O ATOM 0 H GLU A 77 5.279 5.643 -8.496 1.00 0.00 H new ATOM 0 HA GLU A 77 4.516 7.948 -6.997 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.914 5.772 -8.398 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.217 7.237 -7.736 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.967 8.462 -9.265 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.057 6.926 -10.104 1.00 0.00 H new ATOM 1180 N VAL A 78 3.561 4.992 -5.840 1.00 0.00 N ATOM 1181 CA VAL A 78 3.127 4.291 -4.637 1.00 0.00 C ATOM 1182 C VAL A 78 4.313 3.948 -3.743 1.00 0.00 C ATOM 1183 O VAL A 78 5.171 3.146 -4.113 1.00 0.00 O ATOM 1184 CB VAL A 78 2.368 2.997 -4.984 1.00 0.00 C ATOM 1185 CG1 VAL A 78 1.945 2.270 -3.716 1.00 0.00 C ATOM 1186 CG2 VAL A 78 1.162 3.304 -5.859 1.00 0.00 C ATOM 0 H VAL A 78 3.649 4.399 -6.665 1.00 0.00 H new ATOM 0 HA VAL A 78 2.456 4.964 -4.103 1.00 0.00 H new ATOM 0 HB VAL A 78 3.037 2.344 -5.544 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.410 1.358 -3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.829 2.015 -3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.293 2.915 -3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.638 2.378 -6.094 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.489 3.977 -5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.494 3.778 -6.783 1.00 0.00 H new ATOM 1196 N ASP A 79 4.356 4.561 -2.565 1.00 0.00 N ATOM 1197 CA ASP A 79 5.437 4.319 -1.617 1.00 0.00 C ATOM 1198 C ASP A 79 5.361 2.903 -1.055 1.00 0.00 C ATOM 1199 O ASP A 79 4.446 2.570 -0.303 1.00 0.00 O ATOM 1200 CB ASP A 79 5.381 5.337 -0.476 1.00 0.00 C ATOM 1201 CG ASP A 79 6.702 5.458 0.258 1.00 0.00 C ATOM 1202 OD1 ASP A 79 7.498 4.497 0.208 1.00 0.00 O ATOM 1203 OD2 ASP A 79 6.939 6.514 0.882 1.00 0.00 O ATOM 0 H ASP A 79 3.655 5.229 -2.244 1.00 0.00 H new ATOM 0 HA ASP A 79 6.383 4.430 -2.147 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.100 6.311 -0.876 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.602 5.046 0.229 1.00 0.00 H new ATOM 1208 N GLY A 80 6.329 2.071 -1.428 1.00 0.00 N ATOM 1209 CA GLY A 80 6.353 0.699 -0.954 1.00 0.00 C ATOM 1210 C GLY A 80 6.661 -0.291 -2.059 1.00 0.00 C ATOM 1211 O GLY A 80 7.365 -1.277 -1.840 1.00 0.00 O ATOM 0 H GLY A 80 7.097 2.323 -2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.100 0.603 -0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.388 0.454 -0.510 1.00 0.00 H new ATOM 1215 N PHE A 81 6.132 -0.031 -3.250 1.00 0.00 N ATOM 1216 CA PHE A 81 6.353 -0.909 -4.393 1.00 0.00 C ATOM 1217 C PHE A 81 7.754 -1.512 -4.353 1.00 0.00 C ATOM 1218 O PHE A 81 7.925 -2.722 -4.502 1.00 0.00 O ATOM 1219 CB PHE A 81 6.154 -0.139 -5.700 1.00 0.00 C ATOM 1220 CG PHE A 81 6.178 -1.014 -6.921 1.00 0.00 C ATOM 1221 CD1 PHE A 81 5.030 -1.662 -7.347 1.00 0.00 C ATOM 1222 CD2 PHE A 81 7.348 -1.188 -7.641 1.00 0.00 C ATOM 1223 CE1 PHE A 81 5.050 -2.468 -8.470 1.00 0.00 C ATOM 1224 CE2 PHE A 81 7.374 -1.993 -8.765 1.00 0.00 C ATOM 1225 CZ PHE A 81 6.223 -2.633 -9.180 1.00 0.00 C ATOM 0 H PHE A 81 5.547 0.781 -3.449 1.00 0.00 H new ATOM 0 HA PHE A 81 5.626 -1.720 -4.343 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.201 0.389 -5.660 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.934 0.617 -5.789 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.110 -1.536 -6.796 1.00 0.00 H new ATOM 0 HD2 PHE A 81 8.251 -0.689 -7.321 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.149 -2.968 -8.792 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.293 -2.121 -9.317 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.240 -3.261 -10.058 1.00 0.00 H new ATOM 1235 N SER A 82 8.753 -0.659 -4.151 1.00 0.00 N ATOM 1236 CA SER A 82 10.140 -1.107 -4.096 1.00 0.00 C ATOM 1237 C SER A 82 10.360 -2.050 -2.917 1.00 0.00 C ATOM 1238 O SER A 82 11.062 -3.054 -3.035 1.00 0.00 O ATOM 1239 CB SER A 82 11.081 0.094 -3.984 1.00 0.00 C ATOM 1240 OG SER A 82 11.051 0.878 -5.165 1.00 0.00 O ATOM 0 H SER A 82 8.628 0.345 -4.023 1.00 0.00 H new ATOM 0 HA SER A 82 10.358 -1.647 -5.017 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.793 0.707 -3.130 1.00 0.00 H new ATOM 0 HB3 SER A 82 12.098 -0.253 -3.800 1.00 0.00 H new ATOM 0 HG SER A 82 11.659 1.640 -5.067 1.00 0.00 H new ATOM 1246 N GLU A 83 9.754 -1.720 -1.781 1.00 0.00 N ATOM 1247 CA GLU A 83 9.884 -2.537 -0.581 1.00 0.00 C ATOM 1248 C GLU A 83 9.230 -3.901 -0.778 1.00 0.00 C ATOM 1249 O GLU A 83 9.763 -4.926 -0.350 1.00 0.00 O ATOM 1250 CB GLU A 83 9.255 -1.825 0.619 1.00 0.00 C ATOM 1251 CG GLU A 83 10.117 -0.712 1.187 1.00 0.00 C ATOM 1252 CD GLU A 83 9.480 -0.034 2.385 1.00 0.00 C ATOM 1253 OE1 GLU A 83 9.309 -0.704 3.425 1.00 0.00 O ATOM 1254 OE2 GLU A 83 9.154 1.167 2.282 1.00 0.00 O ATOM 0 H GLU A 83 9.168 -0.893 -1.667 1.00 0.00 H new ATOM 0 HA GLU A 83 10.946 -2.687 -0.388 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.292 -1.411 0.321 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.059 -2.557 1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.085 -1.120 1.477 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.303 0.030 0.411 1.00 0.00 H new ATOM 1261 N LEU A 84 8.071 -3.906 -1.427 1.00 0.00 N ATOM 1262 CA LEU A 84 7.341 -5.144 -1.681 1.00 0.00 C ATOM 1263 C LEU A 84 8.243 -6.182 -2.341 1.00 0.00 C ATOM 1264 O LEU A 84 9.316 -5.854 -2.848 1.00 0.00 O ATOM 1265 CB LEU A 84 6.126 -4.870 -2.569 1.00 0.00 C ATOM 1266 CG LEU A 84 5.039 -3.981 -1.963 1.00 0.00 C ATOM 1267 CD1 LEU A 84 3.929 -3.732 -2.972 1.00 0.00 C ATOM 1268 CD2 LEU A 84 4.479 -4.613 -0.696 1.00 0.00 C ATOM 0 H LEU A 84 7.616 -3.067 -1.787 1.00 0.00 H new ATOM 0 HA LEU A 84 7.002 -5.540 -0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.473 -4.407 -3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.677 -5.825 -2.841 1.00 0.00 H new ATOM 0 HG LEU A 84 5.485 -3.022 -1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.165 -3.098 -2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.341 -3.237 -3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.485 -4.683 -3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.707 -3.967 -0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.049 -5.586 -0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.280 -4.739 0.032 1.00 0.00 H new ATOM 1280 N ARG A 85 7.800 -7.435 -2.332 1.00 0.00 N ATOM 1281 CA ARG A 85 8.567 -8.521 -2.930 1.00 0.00 C ATOM 1282 C ARG A 85 8.506 -8.455 -4.453 1.00 0.00 C ATOM 1283 O ARG A 85 7.673 -7.748 -5.021 1.00 0.00 O ATOM 1284 CB ARG A 85 8.040 -9.873 -2.446 1.00 0.00 C ATOM 1285 CG ARG A 85 8.101 -10.046 -0.937 1.00 0.00 C ATOM 1286 CD ARG A 85 7.825 -11.485 -0.530 1.00 0.00 C ATOM 1287 NE ARG A 85 8.188 -11.738 0.862 1.00 0.00 N ATOM 1288 CZ ARG A 85 8.295 -12.955 1.383 1.00 0.00 C ATOM 1289 NH1 ARG A 85 8.068 -14.024 0.632 1.00 0.00 N ATOM 1290 NH2 ARG A 85 8.629 -13.105 2.659 1.00 0.00 N ATOM 0 H ARG A 85 6.914 -7.723 -1.917 1.00 0.00 H new ATOM 0 HA ARG A 85 9.606 -8.412 -2.620 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.007 -9.990 -2.775 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.617 -10.668 -2.918 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.084 -9.746 -0.575 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.373 -9.387 -0.464 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.768 -11.707 -0.675 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.384 -12.159 -1.179 1.00 0.00 H new ATOM 0 HE ARG A 85 8.369 -10.937 1.467 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.810 -13.913 -0.349 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.151 -14.957 1.035 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.804 -12.285 3.240 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.711 -14.040 3.058 1.00 0.00 H new ATOM 1304 N TRP A 86 9.393 -9.195 -5.108 1.00 0.00 N ATOM 1305 CA TRP A 86 9.440 -9.219 -6.566 1.00 0.00 C ATOM 1306 C TRP A 86 8.109 -9.685 -7.146 1.00 0.00 C ATOM 1307 O TRP A 86 7.552 -9.045 -8.038 1.00 0.00 O ATOM 1308 CB TRP A 86 10.567 -10.135 -7.045 1.00 0.00 C ATOM 1309 CG TRP A 86 10.498 -10.446 -8.510 1.00 0.00 C ATOM 1310 CD1 TRP A 86 11.127 -9.776 -9.520 1.00 0.00 C ATOM 1311 CD2 TRP A 86 9.758 -11.504 -9.127 1.00 0.00 C ATOM 1312 NE1 TRP A 86 10.822 -10.354 -10.729 1.00 0.00 N ATOM 1313 CE2 TRP A 86 9.984 -11.416 -10.515 1.00 0.00 C ATOM 1314 CE3 TRP A 86 8.927 -12.518 -8.644 1.00 0.00 C ATOM 1315 CZ2 TRP A 86 9.409 -12.303 -11.421 1.00 0.00 C ATOM 1316 CZ3 TRP A 86 8.356 -13.398 -9.544 1.00 0.00 C ATOM 1317 CH2 TRP A 86 8.599 -13.286 -10.919 1.00 0.00 C ATOM 0 H TRP A 86 10.089 -9.786 -4.654 1.00 0.00 H new ATOM 0 HA TRP A 86 9.632 -8.204 -6.915 1.00 0.00 H new ATOM 0 HB2 TRP A 86 11.526 -9.665 -6.825 1.00 0.00 H new ATOM 0 HB3 TRP A 86 10.532 -11.067 -6.481 1.00 0.00 H new ATOM 0 HD1 TRP A 86 11.770 -8.918 -9.388 1.00 0.00 H new ATOM 0 HE1 TRP A 86 11.164 -10.043 -11.638 1.00 0.00 H new ATOM 0 HE3 TRP A 86 8.734 -12.613 -7.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 9.595 -12.219 -12.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 7.712 -14.185 -9.181 1.00 0.00 H new ATOM 0 HH2 TRP A 86 8.138 -13.989 -11.597 1.00 0.00 H new ATOM 1328 N ASP A 87 7.604 -10.802 -6.634 1.00 0.00 N ATOM 1329 CA ASP A 87 6.337 -11.353 -7.100 1.00 0.00 C ATOM 1330 C ASP A 87 5.206 -10.344 -6.919 1.00 0.00 C ATOM 1331 O ASP A 87 4.581 -9.917 -7.890 1.00 0.00 O ATOM 1332 CB ASP A 87 6.010 -12.644 -6.349 1.00 0.00 C ATOM 1333 CG ASP A 87 6.147 -12.491 -4.847 1.00 0.00 C ATOM 1334 OD1 ASP A 87 7.287 -12.575 -4.343 1.00 0.00 O ATOM 1335 OD2 ASP A 87 5.114 -12.286 -4.175 1.00 0.00 O ATOM 0 H ASP A 87 8.053 -11.344 -5.896 1.00 0.00 H new ATOM 0 HA ASP A 87 6.435 -11.575 -8.163 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.992 -12.952 -6.588 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.673 -13.438 -6.692 1.00 0.00 H new ATOM 1340 N ASP A 88 4.950 -9.969 -5.671 1.00 0.00 N ATOM 1341 CA ASP A 88 3.895 -9.011 -5.362 1.00 0.00 C ATOM 1342 C ASP A 88 3.958 -7.811 -6.302 1.00 0.00 C ATOM 1343 O ASP A 88 2.959 -7.438 -6.916 1.00 0.00 O ATOM 1344 CB ASP A 88 4.010 -8.543 -3.911 1.00 0.00 C ATOM 1345 CG ASP A 88 3.796 -9.671 -2.921 1.00 0.00 C ATOM 1346 OD1 ASP A 88 2.708 -10.285 -2.946 1.00 0.00 O ATOM 1347 OD2 ASP A 88 4.716 -9.941 -2.121 1.00 0.00 O ATOM 0 H ASP A 88 5.458 -10.314 -4.857 1.00 0.00 H new ATOM 0 HA ASP A 88 2.935 -9.509 -5.500 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.995 -8.104 -3.751 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.277 -7.757 -3.726 1.00 0.00 H new ATOM 1352 N GLN A 89 5.139 -7.211 -6.409 1.00 0.00 N ATOM 1353 CA GLN A 89 5.332 -6.052 -7.273 1.00 0.00 C ATOM 1354 C GLN A 89 4.642 -6.255 -8.618 1.00 0.00 C ATOM 1355 O GLN A 89 3.998 -5.345 -9.139 1.00 0.00 O ATOM 1356 CB GLN A 89 6.824 -5.790 -7.486 1.00 0.00 C ATOM 1357 CG GLN A 89 7.463 -4.972 -6.376 1.00 0.00 C ATOM 1358 CD GLN A 89 8.937 -4.713 -6.615 1.00 0.00 C ATOM 1359 OE1 GLN A 89 9.707 -5.638 -6.878 1.00 0.00 O ATOM 1360 NE2 GLN A 89 9.340 -3.451 -6.526 1.00 0.00 N ATOM 0 H GLN A 89 5.977 -7.508 -5.908 1.00 0.00 H new ATOM 0 HA GLN A 89 4.885 -5.187 -6.783 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.344 -6.745 -7.568 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.961 -5.270 -8.434 1.00 0.00 H new ATOM 0 HG2 GLN A 89 6.941 -4.019 -6.285 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.339 -5.495 -5.428 1.00 0.00 H new ATOM 0 HE21 GLN A 89 8.668 -2.715 -6.306 1.00 0.00 H new ATOM 0 HE22 GLN A 89 10.321 -3.217 -6.678 1.00 0.00 H new ATOM 1369 N GLN A 90 4.782 -7.454 -9.174 1.00 0.00 N ATOM 1370 CA GLN A 90 4.172 -7.775 -10.459 1.00 0.00 C ATOM 1371 C GLN A 90 2.651 -7.726 -10.367 1.00 0.00 C ATOM 1372 O GLN A 90 1.980 -7.216 -11.265 1.00 0.00 O ATOM 1373 CB GLN A 90 4.623 -9.160 -10.929 1.00 0.00 C ATOM 1374 CG GLN A 90 6.132 -9.304 -11.038 1.00 0.00 C ATOM 1375 CD GLN A 90 6.547 -10.304 -12.099 1.00 0.00 C ATOM 1376 OE1 GLN A 90 5.885 -11.322 -12.302 1.00 0.00 O ATOM 1377 NE2 GLN A 90 7.649 -10.018 -12.784 1.00 0.00 N ATOM 0 H GLN A 90 5.312 -8.218 -8.755 1.00 0.00 H new ATOM 0 HA GLN A 90 4.497 -7.029 -11.184 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.244 -9.911 -10.236 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.175 -9.368 -11.901 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.570 -8.333 -11.268 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.534 -9.615 -10.074 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.167 -9.163 -12.583 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.977 -10.654 -13.511 1.00 0.00 H new ATOM 1386 N LYS A 91 2.111 -8.261 -9.277 1.00 0.00 N ATOM 1387 CA LYS A 91 0.669 -8.278 -9.067 1.00 0.00 C ATOM 1388 C LYS A 91 0.084 -6.875 -9.193 1.00 0.00 C ATOM 1389 O LYS A 91 -0.957 -6.680 -9.822 1.00 0.00 O ATOM 1390 CB LYS A 91 0.340 -8.856 -7.688 1.00 0.00 C ATOM 1391 CG LYS A 91 -1.119 -9.241 -7.522 1.00 0.00 C ATOM 1392 CD LYS A 91 -1.492 -9.394 -6.056 1.00 0.00 C ATOM 1393 CE LYS A 91 -0.998 -10.716 -5.491 1.00 0.00 C ATOM 1394 NZ LYS A 91 -1.334 -10.863 -4.048 1.00 0.00 N ATOM 0 H LYS A 91 2.651 -8.689 -8.525 1.00 0.00 H new ATOM 0 HA LYS A 91 0.223 -8.910 -9.835 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.961 -9.735 -7.514 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.603 -8.124 -6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.751 -8.482 -7.982 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.311 -10.177 -8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.066 -8.570 -5.483 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.575 -9.332 -5.946 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.441 -11.539 -6.052 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.082 -10.786 -5.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.980 -11.777 -3.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.891 -10.092 -3.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.366 -10.822 -3.926 1.00 0.00 H new ATOM 1408 N VAL A 92 0.760 -5.900 -8.594 1.00 0.00 N ATOM 1409 CA VAL A 92 0.308 -4.515 -8.642 1.00 0.00 C ATOM 1410 C VAL A 92 0.533 -3.912 -10.024 1.00 0.00 C ATOM 1411 O VAL A 92 -0.312 -3.179 -10.539 1.00 0.00 O ATOM 1412 CB VAL A 92 1.034 -3.651 -7.593 1.00 0.00 C ATOM 1413 CG1 VAL A 92 0.581 -2.202 -7.689 1.00 0.00 C ATOM 1414 CG2 VAL A 92 0.796 -4.201 -6.195 1.00 0.00 C ATOM 0 H VAL A 92 1.623 -6.044 -8.070 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.759 -4.522 -8.421 1.00 0.00 H new ATOM 0 HB VAL A 92 2.104 -3.686 -7.796 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.104 -1.607 -6.941 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.807 -1.815 -8.683 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.493 -2.144 -7.512 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.316 -3.579 -5.466 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.272 -4.197 -5.979 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.174 -5.222 -6.136 1.00 0.00 H new ATOM 1424 N LYS A 93 1.678 -4.224 -10.621 1.00 0.00 N ATOM 1425 CA LYS A 93 2.015 -3.715 -11.945 1.00 0.00 C ATOM 1426 C LYS A 93 0.826 -3.836 -12.893 1.00 0.00 C ATOM 1427 O LYS A 93 0.367 -2.844 -13.460 1.00 0.00 O ATOM 1428 CB LYS A 93 3.215 -4.474 -12.516 1.00 0.00 C ATOM 1429 CG LYS A 93 4.551 -3.820 -12.207 1.00 0.00 C ATOM 1430 CD LYS A 93 5.607 -4.198 -13.232 1.00 0.00 C ATOM 1431 CE LYS A 93 6.383 -5.434 -12.804 1.00 0.00 C ATOM 1432 NZ LYS A 93 7.026 -5.251 -11.473 1.00 0.00 N ATOM 0 H LYS A 93 2.389 -4.828 -10.208 1.00 0.00 H new ATOM 0 HA LYS A 93 2.273 -2.661 -11.846 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.216 -5.489 -12.117 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.101 -4.556 -13.597 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.431 -2.737 -12.189 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.883 -4.121 -11.213 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.131 -4.382 -14.195 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.296 -3.365 -13.370 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.710 -6.291 -12.768 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.147 -5.659 -13.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.850 -5.881 -11.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.334 -4.263 -11.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.343 -5.481 -10.723 1.00 0.00 H new ATOM 1446 N LYS A 94 0.330 -5.058 -13.060 1.00 0.00 N ATOM 1447 CA LYS A 94 -0.807 -5.309 -13.937 1.00 0.00 C ATOM 1448 C LYS A 94 -2.075 -4.670 -13.381 1.00 0.00 C ATOM 1449 O LYS A 94 -2.693 -3.824 -14.029 1.00 0.00 O ATOM 1450 CB LYS A 94 -1.018 -6.814 -14.115 1.00 0.00 C ATOM 1451 CG LYS A 94 -1.106 -7.575 -12.803 1.00 0.00 C ATOM 1452 CD LYS A 94 -0.532 -8.976 -12.931 1.00 0.00 C ATOM 1453 CE LYS A 94 -1.621 -10.002 -13.206 1.00 0.00 C ATOM 1454 NZ LYS A 94 -2.112 -9.926 -14.609 1.00 0.00 N ATOM 0 H LYS A 94 0.698 -5.890 -12.599 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.591 -4.861 -14.907 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.933 -6.979 -14.683 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.198 -7.220 -14.707 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.567 -7.030 -12.028 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.147 -7.635 -12.485 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.201 -8.998 -13.737 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.005 -9.240 -12.014 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.235 -11.002 -13.010 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.453 -9.841 -12.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.739 -10.733 -14.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.638 -9.039 -14.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.303 -9.952 -15.262 1.00 0.00 H new ATOM 1468 N THR A 95 -2.458 -5.077 -12.174 1.00 0.00 N ATOM 1469 CA THR A 95 -3.651 -4.544 -11.530 1.00 0.00 C ATOM 1470 C THR A 95 -3.792 -3.048 -11.785 1.00 0.00 C ATOM 1471 O THR A 95 -4.868 -2.567 -12.137 1.00 0.00 O ATOM 1472 CB THR A 95 -3.630 -4.795 -10.011 1.00 0.00 C ATOM 1473 OG1 THR A 95 -3.408 -6.185 -9.747 1.00 0.00 O ATOM 1474 CG2 THR A 95 -4.937 -4.355 -9.371 1.00 0.00 C ATOM 0 H THR A 95 -1.958 -5.775 -11.623 1.00 0.00 H new ATOM 0 HA THR A 95 -4.504 -5.066 -11.965 1.00 0.00 H new ATOM 0 HB THR A 95 -2.818 -4.209 -9.580 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.468 -6.327 -9.511 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.898 -4.542 -8.298 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.089 -3.290 -9.548 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.763 -4.917 -9.807 1.00 0.00 H new ATOM 1482 N ALA A 96 -2.697 -2.316 -11.604 1.00 0.00 N ATOM 1483 CA ALA A 96 -2.697 -0.874 -11.817 1.00 0.00 C ATOM 1484 C ALA A 96 -3.210 -0.525 -13.210 1.00 0.00 C ATOM 1485 O ALA A 96 -4.092 0.319 -13.362 1.00 0.00 O ATOM 1486 CB ALA A 96 -1.300 -0.310 -11.610 1.00 0.00 C ATOM 0 H ALA A 96 -1.798 -2.699 -11.310 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.370 -0.424 -11.087 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.315 0.768 -11.772 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.970 -0.519 -10.592 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.612 -0.774 -12.317 1.00 0.00 H new ATOM 1492 N GLU A 97 -2.652 -1.180 -14.223 1.00 0.00 N ATOM 1493 CA GLU A 97 -3.053 -0.937 -15.603 1.00 0.00 C ATOM 1494 C GLU A 97 -4.556 -1.134 -15.776 1.00 0.00 C ATOM 1495 O GLU A 97 -5.195 -0.452 -16.577 1.00 0.00 O ATOM 1496 CB GLU A 97 -2.293 -1.868 -16.550 1.00 0.00 C ATOM 1497 CG GLU A 97 -0.916 -1.353 -16.935 1.00 0.00 C ATOM 1498 CD GLU A 97 -0.960 0.044 -17.524 1.00 0.00 C ATOM 1499 OE1 GLU A 97 -1.615 0.225 -18.572 1.00 0.00 O ATOM 1500 OE2 GLU A 97 -0.338 0.955 -16.939 1.00 0.00 O ATOM 0 H GLU A 97 -1.921 -1.883 -14.114 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.809 0.097 -15.848 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.187 -2.845 -16.078 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.883 -2.013 -17.455 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.273 -1.352 -16.055 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.466 -2.034 -17.658 1.00 0.00 H new ATOM 1507 N ALA A 98 -5.115 -2.073 -15.018 1.00 0.00 N ATOM 1508 CA ALA A 98 -6.542 -2.360 -15.086 1.00 0.00 C ATOM 1509 C ALA A 98 -7.346 -1.335 -14.293 1.00 0.00 C ATOM 1510 O ALA A 98 -8.527 -1.538 -14.015 1.00 0.00 O ATOM 1511 CB ALA A 98 -6.823 -3.765 -14.574 1.00 0.00 C ATOM 0 H ALA A 98 -4.601 -2.647 -14.350 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.851 -2.297 -16.129 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.893 -3.966 -14.631 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.285 -4.489 -15.185 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.493 -3.848 -13.539 1.00 0.00 H new ATOM 1517 N GLY A 99 -6.697 -0.233 -13.930 1.00 0.00 N ATOM 1518 CA GLY A 99 -7.368 0.807 -13.172 1.00 0.00 C ATOM 1519 C GLY A 99 -8.307 1.635 -14.027 1.00 0.00 C ATOM 1520 O GLY A 99 -8.301 2.863 -13.956 1.00 0.00 O ATOM 0 H GLY A 99 -5.719 -0.042 -14.147 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.930 0.352 -12.356 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.622 1.461 -12.719 1.00 0.00 H new ATOM 1524 N GLY A 100 -9.114 0.961 -14.840 1.00 0.00 N ATOM 1525 CA GLY A 100 -10.050 1.658 -15.702 1.00 0.00 C ATOM 1526 C GLY A 100 -11.488 1.250 -15.448 1.00 0.00 C ATOM 1527 O GLY A 100 -11.804 0.061 -15.404 1.00 0.00 O ATOM 0 H GLY A 100 -9.136 -0.056 -14.917 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.948 2.732 -15.550 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.798 1.458 -16.743 1.00 0.00 H new ATOM 1531 N SER A 101 -12.361 2.238 -15.279 1.00 0.00 N ATOM 1532 CA SER A 101 -13.772 1.975 -15.023 1.00 0.00 C ATOM 1533 C SER A 101 -14.569 1.971 -16.324 1.00 0.00 C ATOM 1534 O SER A 101 -14.103 2.459 -17.352 1.00 0.00 O ATOM 1535 CB SER A 101 -14.342 3.024 -14.065 1.00 0.00 C ATOM 1536 OG SER A 101 -14.252 4.324 -14.621 1.00 0.00 O ATOM 0 H SER A 101 -12.116 3.227 -15.315 1.00 0.00 H new ATOM 0 HA SER A 101 -13.855 0.990 -14.564 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.384 2.791 -13.843 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.800 2.991 -13.120 1.00 0.00 H new ATOM 0 HG SER A 101 -14.624 4.976 -13.991 1.00 0.00 H new ATOM 1542 N GLY A 102 -15.776 1.415 -16.269 1.00 0.00 N ATOM 1543 CA GLY A 102 -16.619 1.357 -17.449 1.00 0.00 C ATOM 1544 C GLY A 102 -18.095 1.429 -17.110 1.00 0.00 C ATOM 1545 O GLY A 102 -18.525 1.041 -16.024 1.00 0.00 O ATOM 0 H GLY A 102 -16.184 1.004 -15.429 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -16.362 2.180 -18.116 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -16.418 0.433 -17.990 1.00 0.00 H new ATOM 1549 N PRO A 103 -18.899 1.939 -18.055 1.00 0.00 N ATOM 1550 CA PRO A 103 -20.347 2.075 -17.874 1.00 0.00 C ATOM 1551 C PRO A 103 -21.058 0.726 -17.859 1.00 0.00 C ATOM 1552 O PRO A 103 -20.424 -0.322 -17.980 1.00 0.00 O ATOM 1553 CB PRO A 103 -20.782 2.895 -19.092 1.00 0.00 C ATOM 1554 CG PRO A 103 -19.743 2.619 -20.124 1.00 0.00 C ATOM 1555 CD PRO A 103 -18.455 2.423 -19.374 1.00 0.00 C ATOM 0 HA PRO A 103 -20.597 2.539 -16.920 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -21.772 2.597 -19.437 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -20.833 3.958 -18.856 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -19.996 1.731 -20.704 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -19.662 3.447 -20.828 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -17.807 1.700 -19.870 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -17.892 3.353 -19.292 1.00 0.00 H new ATOM 1563 N SER A 104 -22.378 0.760 -17.710 1.00 0.00 N ATOM 1564 CA SER A 104 -23.175 -0.461 -17.676 1.00 0.00 C ATOM 1565 C SER A 104 -23.493 -0.942 -19.089 1.00 0.00 C ATOM 1566 O SER A 104 -24.616 -1.357 -19.377 1.00 0.00 O ATOM 1567 CB SER A 104 -24.473 -0.226 -16.901 1.00 0.00 C ATOM 1568 OG SER A 104 -25.176 0.894 -17.410 1.00 0.00 O ATOM 0 H SER A 104 -22.918 1.619 -17.611 1.00 0.00 H new ATOM 0 HA SER A 104 -22.593 -1.232 -17.171 1.00 0.00 H new ATOM 0 HB2 SER A 104 -25.103 -1.113 -16.963 1.00 0.00 H new ATOM 0 HB3 SER A 104 -24.247 -0.069 -15.846 1.00 0.00 H new ATOM 0 HG SER A 104 -26.002 1.022 -16.899 1.00 0.00 H new ATOM 1574 N SER A 105 -22.496 -0.883 -19.966 1.00 0.00 N ATOM 1575 CA SER A 105 -22.669 -1.308 -21.350 1.00 0.00 C ATOM 1576 C SER A 105 -23.579 -2.530 -21.433 1.00 0.00 C ATOM 1577 O SER A 105 -23.644 -3.334 -20.504 1.00 0.00 O ATOM 1578 CB SER A 105 -21.312 -1.625 -21.981 1.00 0.00 C ATOM 1579 OG SER A 105 -20.597 -2.571 -21.206 1.00 0.00 O ATOM 0 H SER A 105 -21.560 -0.545 -19.743 1.00 0.00 H new ATOM 0 HA SER A 105 -23.136 -0.491 -21.900 1.00 0.00 H new ATOM 0 HB2 SER A 105 -21.458 -2.012 -22.989 1.00 0.00 H new ATOM 0 HB3 SER A 105 -20.728 -0.710 -22.073 1.00 0.00 H new ATOM 0 HG SER A 105 -19.734 -2.758 -21.632 1.00 0.00 H new ATOM 1585 N GLY A 106 -24.280 -2.663 -22.555 1.00 0.00 N ATOM 1586 CA GLY A 106 -25.178 -3.788 -22.740 1.00 0.00 C ATOM 1587 C GLY A 106 -26.458 -3.646 -21.942 1.00 0.00 C ATOM 1588 O GLY A 106 -27.554 -3.769 -22.488 1.00 0.00 O ATOM 0 H GLY A 106 -24.242 -2.012 -23.339 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -25.422 -3.884 -23.798 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -24.670 -4.706 -22.446 1.00 0.00 H new TER 1592 GLY A 106 HETATM 1593 ZN ZN A 200 -12.153 -2.423 1.939 1.00 0.00 ZN