USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=29 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 180:sc= 0 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -1.76 X(o=-1.8,f=-1.4) USER MOD Set 2.1: A 29 LYS NZ :NH3+ 161:sc= 0.389 (180deg=0) USER MOD Set 2.2: A 57 HIS : no HD1:sc= -2.12! C(o=-1.7!,f=-2.6!) USER MOD Set 2.3: A 59 TYR OH : rot 140:sc= 0.0746 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 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 -70:sc= -0.179 USER MOD Single : A 22 LYS NZ :NH3+ -132:sc= 0.139 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0183 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -119:sc= -3.21 (180deg=-6.09!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -114:sc= 1.25 USER MOD Single : A 42 MET CE :methyl -121:sc= -0.575 (180deg=-4.83!) USER MOD Single : A 45 MET CE :methyl 173:sc= -2.36! (180deg=-2.74!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 48 SER OG : rot 180:sc= 0 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= -0.152 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -1.39 K(o=-1.4,f=-0.29) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.184 K(o=0.18,f=-0.77) USER MOD Single : A 90 GLN : amide:sc= -0.0563 K(o=-0.056,f=-1.3!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 162:sc= -1 (180deg=-1.65!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 105:sc= 1.09 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.420 4.543 21.361 1.00 0.00 N ATOM 2 CA GLY A 1 -9.644 5.716 21.004 1.00 0.00 C ATOM 3 C GLY A 1 -8.151 5.469 21.079 1.00 0.00 C ATOM 4 O GLY A 1 -7.648 4.963 22.083 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.434 4.764 21.294 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.191 3.764 20.710 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.191 4.259 22.335 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.907 6.028 19.993 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.907 6.538 21.670 1.00 0.00 H new ATOM 8 N SER A 2 -7.439 5.826 20.015 1.00 0.00 N ATOM 9 CA SER A 2 -5.994 5.635 19.963 1.00 0.00 C ATOM 10 C SER A 2 -5.321 6.782 19.216 1.00 0.00 C ATOM 11 O SER A 2 -5.570 6.996 18.029 1.00 0.00 O ATOM 12 CB SER A 2 -5.659 4.304 19.286 1.00 0.00 C ATOM 13 OG SER A 2 -4.280 4.001 19.413 1.00 0.00 O ATOM 0 H SER A 2 -7.839 6.249 19.177 1.00 0.00 H new ATOM 0 HA SER A 2 -5.617 5.620 20.986 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.253 3.506 19.732 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.929 4.351 18.231 1.00 0.00 H new ATOM 0 HG SER A 2 -4.091 3.145 18.974 1.00 0.00 H new ATOM 19 N SER A 3 -4.467 7.518 19.920 1.00 0.00 N ATOM 20 CA SER A 3 -3.760 8.647 19.325 1.00 0.00 C ATOM 21 C SER A 3 -2.271 8.587 19.651 1.00 0.00 C ATOM 22 O SER A 3 -1.828 7.748 20.435 1.00 0.00 O ATOM 23 CB SER A 3 -4.351 9.966 19.826 1.00 0.00 C ATOM 24 OG SER A 3 -5.662 10.161 19.325 1.00 0.00 O ATOM 0 H SER A 3 -4.248 7.353 20.902 1.00 0.00 H new ATOM 0 HA SER A 3 -3.880 8.591 18.243 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.371 9.968 20.916 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.713 10.794 19.517 1.00 0.00 H new ATOM 0 HG SER A 3 -6.018 11.010 19.661 1.00 0.00 H new ATOM 30 N GLY A 4 -1.502 9.485 19.042 1.00 0.00 N ATOM 31 CA GLY A 4 -0.070 9.518 19.279 1.00 0.00 C ATOM 32 C GLY A 4 0.732 9.351 18.004 1.00 0.00 C ATOM 33 O GLY A 4 1.671 8.557 17.953 1.00 0.00 O ATOM 0 H GLY A 4 -1.845 10.190 18.389 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.196 10.464 19.750 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.198 8.727 19.979 1.00 0.00 H new ATOM 37 N SER A 5 0.361 10.101 16.971 1.00 0.00 N ATOM 38 CA SER A 5 1.050 10.028 15.687 1.00 0.00 C ATOM 39 C SER A 5 2.192 11.037 15.626 1.00 0.00 C ATOM 40 O SER A 5 1.991 12.198 15.270 1.00 0.00 O ATOM 41 CB SER A 5 0.068 10.281 14.542 1.00 0.00 C ATOM 42 OG SER A 5 0.688 10.080 13.284 1.00 0.00 O ATOM 0 H SER A 5 -0.412 10.766 16.998 1.00 0.00 H new ATOM 0 HA SER A 5 1.467 9.026 15.583 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.789 9.614 14.639 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.313 11.300 14.604 1.00 0.00 H new ATOM 0 HG SER A 5 0.039 10.247 12.569 1.00 0.00 H new ATOM 48 N SER A 6 3.393 10.586 15.976 1.00 0.00 N ATOM 49 CA SER A 6 4.567 11.449 15.965 1.00 0.00 C ATOM 50 C SER A 6 4.721 12.140 14.613 1.00 0.00 C ATOM 51 O SER A 6 4.303 11.613 13.583 1.00 0.00 O ATOM 52 CB SER A 6 5.825 10.639 16.281 1.00 0.00 C ATOM 53 OG SER A 6 5.665 9.895 17.477 1.00 0.00 O ATOM 0 H SER A 6 3.578 9.627 16.271 1.00 0.00 H new ATOM 0 HA SER A 6 4.433 12.212 16.731 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.043 9.963 15.455 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.679 11.310 16.378 1.00 0.00 H new ATOM 0 HG SER A 6 6.482 9.384 17.656 1.00 0.00 H new ATOM 59 N GLY A 7 5.325 13.325 14.626 1.00 0.00 N ATOM 60 CA GLY A 7 5.523 14.070 13.396 1.00 0.00 C ATOM 61 C GLY A 7 6.859 13.769 12.746 1.00 0.00 C ATOM 62 O GLY A 7 7.760 14.607 12.748 1.00 0.00 O ATOM 0 H GLY A 7 5.680 13.782 15.466 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.721 13.832 12.698 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.457 15.137 13.606 1.00 0.00 H new ATOM 66 N MET A 8 6.987 12.570 12.188 1.00 0.00 N ATOM 67 CA MET A 8 8.223 12.161 11.531 1.00 0.00 C ATOM 68 C MET A 8 8.355 12.820 10.162 1.00 0.00 C ATOM 69 O MET A 8 7.380 12.933 9.421 1.00 0.00 O ATOM 70 CB MET A 8 8.269 10.639 11.384 1.00 0.00 C ATOM 71 CG MET A 8 9.662 10.096 11.112 1.00 0.00 C ATOM 72 SD MET A 8 9.712 8.294 11.085 1.00 0.00 S ATOM 73 CE MET A 8 11.051 8.009 9.930 1.00 0.00 C ATOM 0 H MET A 8 6.250 11.865 12.178 1.00 0.00 H new ATOM 0 HA MET A 8 9.059 12.484 12.152 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.882 10.182 12.295 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.607 10.341 10.571 1.00 0.00 H new ATOM 0 HG2 MET A 8 10.017 10.480 10.156 1.00 0.00 H new ATOM 0 HG3 MET A 8 10.347 10.463 11.877 1.00 0.00 H new ATOM 0 HE1 MET A 8 11.204 6.937 9.808 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.801 8.452 8.966 1.00 0.00 H new ATOM 0 HE3 MET A 8 11.965 8.464 10.312 1.00 0.00 H new ATOM 83 N ALA A 9 9.568 13.254 9.834 1.00 0.00 N ATOM 84 CA ALA A 9 9.827 13.901 8.553 1.00 0.00 C ATOM 85 C ALA A 9 10.270 12.886 7.505 1.00 0.00 C ATOM 86 O ALA A 9 10.935 11.901 7.825 1.00 0.00 O ATOM 87 CB ALA A 9 10.878 14.989 8.714 1.00 0.00 C ATOM 0 H ALA A 9 10.386 13.169 10.437 1.00 0.00 H new ATOM 0 HA ALA A 9 8.898 14.357 8.210 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.061 15.463 7.750 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.523 15.736 9.424 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.804 14.549 9.083 1.00 0.00 H new ATOM 93 N GLU A 10 9.896 13.132 6.254 1.00 0.00 N ATOM 94 CA GLU A 10 10.254 12.237 5.160 1.00 0.00 C ATOM 95 C GLU A 10 10.888 13.012 4.008 1.00 0.00 C ATOM 96 O GLU A 10 10.611 14.196 3.816 1.00 0.00 O ATOM 97 CB GLU A 10 9.019 11.483 4.663 1.00 0.00 C ATOM 98 CG GLU A 10 7.983 12.379 4.006 1.00 0.00 C ATOM 99 CD GLU A 10 6.968 12.919 4.995 1.00 0.00 C ATOM 100 OE1 GLU A 10 7.289 12.983 6.200 1.00 0.00 O ATOM 101 OE2 GLU A 10 5.852 13.278 4.563 1.00 0.00 O ATOM 0 H GLU A 10 9.345 13.943 5.973 1.00 0.00 H new ATOM 0 HA GLU A 10 10.982 11.519 5.536 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.332 10.720 3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.558 10.964 5.503 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.487 13.212 3.516 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.464 11.819 3.228 1.00 0.00 H new ATOM 108 N SER A 11 11.740 12.336 3.245 1.00 0.00 N ATOM 109 CA SER A 11 12.417 12.961 2.115 1.00 0.00 C ATOM 110 C SER A 11 11.544 12.912 0.864 1.00 0.00 C ATOM 111 O SER A 11 11.300 13.934 0.224 1.00 0.00 O ATOM 112 CB SER A 11 13.753 12.266 1.845 1.00 0.00 C ATOM 113 OG SER A 11 14.616 12.369 2.965 1.00 0.00 O ATOM 0 H SER A 11 11.978 11.355 3.389 1.00 0.00 H new ATOM 0 HA SER A 11 12.603 14.005 2.367 1.00 0.00 H new ATOM 0 HB2 SER A 11 13.580 11.216 1.611 1.00 0.00 H new ATOM 0 HB3 SER A 11 14.229 12.713 0.972 1.00 0.00 H new ATOM 0 HG SER A 11 15.462 11.916 2.769 1.00 0.00 H new ATOM 119 N SER A 12 11.077 11.715 0.522 1.00 0.00 N ATOM 120 CA SER A 12 10.235 11.530 -0.653 1.00 0.00 C ATOM 121 C SER A 12 8.797 11.951 -0.363 1.00 0.00 C ATOM 122 O SER A 12 8.090 11.295 0.402 1.00 0.00 O ATOM 123 CB SER A 12 10.270 10.070 -1.108 1.00 0.00 C ATOM 124 OG SER A 12 11.503 9.759 -1.732 1.00 0.00 O ATOM 0 H SER A 12 11.268 10.859 1.043 1.00 0.00 H new ATOM 0 HA SER A 12 10.625 12.161 -1.452 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.118 9.415 -0.250 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.450 9.882 -1.802 1.00 0.00 H new ATOM 0 HG SER A 12 11.500 8.820 -2.012 1.00 0.00 H new ATOM 130 N ASP A 13 8.373 13.048 -0.979 1.00 0.00 N ATOM 131 CA ASP A 13 7.019 13.557 -0.789 1.00 0.00 C ATOM 132 C ASP A 13 6.047 12.889 -1.755 1.00 0.00 C ATOM 133 O ASP A 13 5.560 13.516 -2.696 1.00 0.00 O ATOM 134 CB ASP A 13 6.989 15.074 -0.983 1.00 0.00 C ATOM 135 CG ASP A 13 8.120 15.773 -0.254 1.00 0.00 C ATOM 136 OD1 ASP A 13 8.332 15.473 0.939 1.00 0.00 O ATOM 137 OD2 ASP A 13 8.793 16.621 -0.877 1.00 0.00 O ATOM 0 H ASP A 13 8.947 13.603 -1.614 1.00 0.00 H new ATOM 0 HA ASP A 13 6.709 13.323 0.230 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.050 15.303 -2.047 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.035 15.464 -0.627 1.00 0.00 H new ATOM 142 N LYS A 14 5.768 11.611 -1.518 1.00 0.00 N ATOM 143 CA LYS A 14 4.854 10.856 -2.366 1.00 0.00 C ATOM 144 C LYS A 14 3.404 11.121 -1.974 1.00 0.00 C ATOM 145 O LYS A 14 3.131 11.853 -1.021 1.00 0.00 O ATOM 146 CB LYS A 14 5.154 9.359 -2.269 1.00 0.00 C ATOM 147 CG LYS A 14 6.603 9.009 -2.562 1.00 0.00 C ATOM 148 CD LYS A 14 6.729 7.629 -3.185 1.00 0.00 C ATOM 149 CE LYS A 14 8.089 7.434 -3.837 1.00 0.00 C ATOM 150 NZ LYS A 14 8.476 5.997 -3.892 1.00 0.00 N ATOM 0 H LYS A 14 6.163 11.076 -0.744 1.00 0.00 H new ATOM 0 HA LYS A 14 4.999 11.183 -3.395 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.900 9.010 -1.268 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.511 8.822 -2.966 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.029 9.753 -3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.181 9.046 -1.639 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.579 6.868 -2.419 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.944 7.492 -3.929 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.070 7.844 -4.847 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.842 7.992 -3.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.409 5.906 -4.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.519 5.612 -2.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.771 5.469 -4.444 1.00 0.00 H new ATOM 164 N LEU A 15 2.477 10.520 -2.712 1.00 0.00 N ATOM 165 CA LEU A 15 1.054 10.689 -2.440 1.00 0.00 C ATOM 166 C LEU A 15 0.426 9.375 -1.987 1.00 0.00 C ATOM 167 O LEU A 15 -0.344 9.342 -1.026 1.00 0.00 O ATOM 168 CB LEU A 15 0.335 11.208 -3.686 1.00 0.00 C ATOM 169 CG LEU A 15 0.291 12.728 -3.852 1.00 0.00 C ATOM 170 CD1 LEU A 15 0.263 13.104 -5.325 1.00 0.00 C ATOM 171 CD2 LEU A 15 -0.916 13.308 -3.129 1.00 0.00 C ATOM 0 H LEU A 15 2.685 9.911 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 15 0.947 11.417 -1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.819 10.781 -4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.689 10.834 -3.672 1.00 0.00 H new ATOM 0 HG LEU A 15 1.193 13.149 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.232 14.189 -5.423 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.158 12.721 -5.815 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.621 12.672 -5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.932 14.390 -3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.829 12.880 -3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.853 13.070 -2.067 1.00 0.00 H new ATOM 183 N TYR A 16 0.761 8.295 -2.683 1.00 0.00 N ATOM 184 CA TYR A 16 0.229 6.978 -2.352 1.00 0.00 C ATOM 185 C TYR A 16 1.267 6.143 -1.607 1.00 0.00 C ATOM 186 O TYR A 16 2.446 6.493 -1.564 1.00 0.00 O ATOM 187 CB TYR A 16 -0.211 6.249 -3.623 1.00 0.00 C ATOM 188 CG TYR A 16 -1.237 7.009 -4.432 1.00 0.00 C ATOM 189 CD1 TYR A 16 -2.488 7.303 -3.904 1.00 0.00 C ATOM 190 CD2 TYR A 16 -0.956 7.433 -5.725 1.00 0.00 C ATOM 191 CE1 TYR A 16 -3.429 7.996 -4.640 1.00 0.00 C ATOM 192 CE2 TYR A 16 -1.890 8.128 -6.468 1.00 0.00 C ATOM 193 CZ TYR A 16 -3.126 8.407 -5.921 1.00 0.00 C ATOM 194 OH TYR A 16 -4.060 9.099 -6.657 1.00 0.00 O ATOM 0 H TYR A 16 1.398 8.305 -3.480 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.635 7.116 -1.702 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.664 6.061 -4.246 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.623 5.277 -3.350 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.729 6.984 -2.901 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.010 7.215 -6.157 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.397 8.215 -4.214 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.655 8.451 -7.471 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.688 9.315 -7.537 1.00 0.00 H new ATOM 204 N ARG A 17 0.817 5.038 -1.021 1.00 0.00 N ATOM 205 CA ARG A 17 1.705 4.153 -0.277 1.00 0.00 C ATOM 206 C ARG A 17 1.151 2.731 -0.242 1.00 0.00 C ATOM 207 O ARG A 17 -0.062 2.526 -0.269 1.00 0.00 O ATOM 208 CB ARG A 17 1.899 4.671 1.149 1.00 0.00 C ATOM 209 CG ARG A 17 2.948 3.905 1.938 1.00 0.00 C ATOM 210 CD ARG A 17 3.166 4.515 3.314 1.00 0.00 C ATOM 211 NE ARG A 17 3.498 5.935 3.237 1.00 0.00 N ATOM 212 CZ ARG A 17 4.732 6.392 3.059 1.00 0.00 C ATOM 213 NH1 ARG A 17 5.746 5.546 2.940 1.00 0.00 N ATOM 214 NH2 ARG A 17 4.955 7.699 3.000 1.00 0.00 N ATOM 0 H ARG A 17 -0.156 4.735 -1.047 1.00 0.00 H new ATOM 0 HA ARG A 17 2.669 4.137 -0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.183 5.723 1.109 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.948 4.618 1.678 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.637 2.866 2.045 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.889 3.902 1.387 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.266 4.385 3.915 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.969 3.982 3.824 1.00 0.00 H new ATOM 0 HE ARG A 17 2.741 6.613 3.325 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.579 4.541 2.985 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.693 5.900 2.803 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.178 8.354 3.091 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.903 8.049 2.863 1.00 0.00 H new ATOM 228 N VAL A 18 2.049 1.753 -0.182 1.00 0.00 N ATOM 229 CA VAL A 18 1.651 0.351 -0.142 1.00 0.00 C ATOM 230 C VAL A 18 2.642 -0.480 0.664 1.00 0.00 C ATOM 231 O VAL A 18 3.844 -0.460 0.399 1.00 0.00 O ATOM 232 CB VAL A 18 1.536 -0.240 -1.560 1.00 0.00 C ATOM 233 CG1 VAL A 18 2.886 -0.211 -2.261 1.00 0.00 C ATOM 234 CG2 VAL A 18 0.986 -1.657 -1.503 1.00 0.00 C ATOM 0 H VAL A 18 3.057 1.906 -0.160 1.00 0.00 H new ATOM 0 HA VAL A 18 0.674 0.313 0.340 1.00 0.00 H new ATOM 0 HB VAL A 18 0.841 0.372 -2.135 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.786 -0.632 -3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.236 0.819 -2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.605 -0.799 -1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.911 -2.059 -2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.654 -2.283 -0.912 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.002 -1.646 -1.043 1.00 0.00 H new ATOM 244 N GLU A 19 2.130 -1.210 1.650 1.00 0.00 N ATOM 245 CA GLU A 19 2.972 -2.047 2.496 1.00 0.00 C ATOM 246 C GLU A 19 2.142 -3.113 3.205 1.00 0.00 C ATOM 247 O GLU A 19 0.916 -3.018 3.272 1.00 0.00 O ATOM 248 CB GLU A 19 3.710 -1.191 3.527 1.00 0.00 C ATOM 249 CG GLU A 19 2.798 -0.588 4.582 1.00 0.00 C ATOM 250 CD GLU A 19 3.311 0.739 5.108 1.00 0.00 C ATOM 251 OE1 GLU A 19 3.785 1.557 4.292 1.00 0.00 O ATOM 252 OE2 GLU A 19 3.237 0.959 6.335 1.00 0.00 O ATOM 0 H GLU A 19 1.137 -1.239 1.882 1.00 0.00 H new ATOM 0 HA GLU A 19 3.703 -2.544 1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.467 -1.802 4.019 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.235 -0.388 3.011 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.803 -0.447 4.159 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.695 -1.288 5.411 1.00 0.00 H new ATOM 259 N TYR A 20 2.818 -4.128 3.732 1.00 0.00 N ATOM 260 CA TYR A 20 2.143 -5.214 4.433 1.00 0.00 C ATOM 261 C TYR A 20 1.670 -4.762 5.811 1.00 0.00 C ATOM 262 O TYR A 20 2.470 -4.595 6.731 1.00 0.00 O ATOM 263 CB TYR A 20 3.077 -6.418 4.571 1.00 0.00 C ATOM 264 CG TYR A 20 3.606 -6.929 3.250 1.00 0.00 C ATOM 265 CD1 TYR A 20 2.754 -7.138 2.173 1.00 0.00 C ATOM 266 CD2 TYR A 20 4.957 -7.204 3.080 1.00 0.00 C ATOM 267 CE1 TYR A 20 3.232 -7.606 0.964 1.00 0.00 C ATOM 268 CE2 TYR A 20 5.444 -7.671 1.874 1.00 0.00 C ATOM 269 CZ TYR A 20 4.578 -7.871 0.820 1.00 0.00 C ATOM 270 OH TYR A 20 5.059 -8.337 -0.382 1.00 0.00 O ATOM 0 H TYR A 20 3.833 -4.221 3.687 1.00 0.00 H new ATOM 0 HA TYR A 20 1.271 -5.504 3.847 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.918 -6.144 5.208 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.545 -7.224 5.076 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.700 -6.931 2.283 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.638 -7.050 3.904 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.556 -7.763 0.137 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.498 -7.878 1.758 1.00 0.00 H new ATOM 0 HH TYR A 20 4.750 -9.256 -0.524 1.00 0.00 H new ATOM 280 N ALA A 21 0.362 -4.566 5.945 1.00 0.00 N ATOM 281 CA ALA A 21 -0.219 -4.135 7.211 1.00 0.00 C ATOM 282 C ALA A 21 0.557 -4.704 8.393 1.00 0.00 C ATOM 283 O ALA A 21 0.943 -5.873 8.392 1.00 0.00 O ATOM 284 CB ALA A 21 -1.681 -4.551 7.288 1.00 0.00 C ATOM 0 H ALA A 21 -0.315 -4.699 5.193 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.158 -3.048 7.260 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.103 -4.223 8.238 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.233 -4.092 6.468 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.755 -5.636 7.213 1.00 0.00 H new ATOM 290 N LYS A 22 0.785 -3.869 9.402 1.00 0.00 N ATOM 291 CA LYS A 22 1.516 -4.288 10.592 1.00 0.00 C ATOM 292 C LYS A 22 0.607 -5.056 11.546 1.00 0.00 C ATOM 293 O LYS A 22 1.010 -6.066 12.124 1.00 0.00 O ATOM 294 CB LYS A 22 2.110 -3.071 11.305 1.00 0.00 C ATOM 295 CG LYS A 22 3.265 -2.430 10.556 1.00 0.00 C ATOM 296 CD LYS A 22 2.784 -1.331 9.624 1.00 0.00 C ATOM 297 CE LYS A 22 2.571 -0.022 10.369 1.00 0.00 C ATOM 298 NZ LYS A 22 2.497 1.139 9.441 1.00 0.00 N ATOM 0 H LYS A 22 0.474 -2.898 9.419 1.00 0.00 H new ATOM 0 HA LYS A 22 2.325 -4.948 10.278 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.326 -2.328 11.451 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.453 -3.372 12.295 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.978 -2.017 11.270 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.794 -3.190 9.981 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.513 -1.183 8.827 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.851 -1.637 9.150 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.651 -0.081 10.951 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.386 0.130 11.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.115 1.900 9.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.807 0.846 8.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.517 1.484 9.394 1.00 0.00 H new ATOM 312 N SER A 23 -0.621 -4.573 11.705 1.00 0.00 N ATOM 313 CA SER A 23 -1.586 -5.213 12.591 1.00 0.00 C ATOM 314 C SER A 23 -3.013 -4.961 12.113 1.00 0.00 C ATOM 315 O SER A 23 -3.240 -4.189 11.182 1.00 0.00 O ATOM 316 CB SER A 23 -1.416 -4.699 14.021 1.00 0.00 C ATOM 317 OG SER A 23 -0.120 -4.987 14.517 1.00 0.00 O ATOM 0 H SER A 23 -0.971 -3.740 11.232 1.00 0.00 H new ATOM 0 HA SER A 23 -1.401 -6.287 12.575 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.587 -3.623 14.047 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.166 -5.157 14.667 1.00 0.00 H new ATOM 0 HG SER A 23 -0.037 -4.646 15.432 1.00 0.00 H new ATOM 323 N GLY A 24 -3.971 -5.618 12.759 1.00 0.00 N ATOM 324 CA GLY A 24 -5.364 -5.453 12.387 1.00 0.00 C ATOM 325 C GLY A 24 -6.050 -4.359 13.181 1.00 0.00 C ATOM 326 O GLY A 24 -6.898 -4.637 14.029 1.00 0.00 O ATOM 0 H GLY A 24 -3.807 -6.262 13.533 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.428 -5.221 11.324 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.892 -6.394 12.540 1.00 0.00 H new ATOM 330 N ARG A 25 -5.683 -3.111 12.907 1.00 0.00 N ATOM 331 CA ARG A 25 -6.267 -1.972 13.604 1.00 0.00 C ATOM 332 C ARG A 25 -6.981 -1.044 12.626 1.00 0.00 C ATOM 333 O ARG A 25 -8.165 -0.751 12.786 1.00 0.00 O ATOM 334 CB ARG A 25 -5.184 -1.200 14.360 1.00 0.00 C ATOM 335 CG ARG A 25 -4.566 -1.982 15.508 1.00 0.00 C ATOM 336 CD ARG A 25 -5.543 -2.141 16.662 1.00 0.00 C ATOM 337 NE ARG A 25 -5.953 -0.852 17.214 1.00 0.00 N ATOM 338 CZ ARG A 25 -6.608 -0.719 18.362 1.00 0.00 C ATOM 339 NH1 ARG A 25 -6.925 -1.790 19.076 1.00 0.00 N ATOM 340 NH2 ARG A 25 -6.947 0.487 18.798 1.00 0.00 N ATOM 0 H ARG A 25 -4.984 -2.864 12.207 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.999 -2.350 14.318 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.398 -0.915 13.661 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.613 -0.277 14.750 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.255 -2.965 15.155 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.669 -1.471 15.857 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.423 -2.685 16.319 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.083 -2.741 17.447 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.724 -0.008 16.689 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.666 -2.719 18.744 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.428 -1.685 19.957 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.705 1.314 18.252 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.450 0.588 19.680 1.00 0.00 H new ATOM 354 N ALA A 26 -6.251 -0.584 11.615 1.00 0.00 N ATOM 355 CA ALA A 26 -6.815 0.310 10.611 1.00 0.00 C ATOM 356 C ALA A 26 -8.064 -0.293 9.979 1.00 0.00 C ATOM 357 O ALA A 26 -8.244 -1.511 9.975 1.00 0.00 O ATOM 358 CB ALA A 26 -5.778 0.623 9.542 1.00 0.00 C ATOM 0 H ALA A 26 -5.268 -0.816 11.470 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.102 1.238 11.106 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.212 1.291 8.799 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.915 1.104 10.002 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.463 -0.302 9.059 1.00 0.00 H new ATOM 364 N SER A 27 -8.926 0.567 9.446 1.00 0.00 N ATOM 365 CA SER A 27 -10.162 0.119 8.815 1.00 0.00 C ATOM 366 C SER A 27 -10.229 0.582 7.362 1.00 0.00 C ATOM 367 O SER A 27 -9.378 1.344 6.901 1.00 0.00 O ATOM 368 CB SER A 27 -11.374 0.647 9.586 1.00 0.00 C ATOM 369 OG SER A 27 -11.563 -0.073 10.792 1.00 0.00 O ATOM 0 H SER A 27 -8.791 1.578 9.439 1.00 0.00 H new ATOM 0 HA SER A 27 -10.175 -0.971 8.833 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.235 1.705 9.808 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.267 0.566 8.966 1.00 0.00 H new ATOM 0 HG SER A 27 -12.342 0.284 11.267 1.00 0.00 H new ATOM 375 N CYS A 28 -11.246 0.115 6.646 1.00 0.00 N ATOM 376 CA CYS A 28 -11.426 0.479 5.246 1.00 0.00 C ATOM 377 C CYS A 28 -12.446 1.605 5.103 1.00 0.00 C ATOM 378 O CYS A 28 -13.543 1.538 5.657 1.00 0.00 O ATOM 379 CB CYS A 28 -11.876 -0.738 4.435 1.00 0.00 C ATOM 380 SG CYS A 28 -11.930 -0.454 2.636 1.00 0.00 S ATOM 0 H CYS A 28 -11.958 -0.517 7.012 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.468 0.830 4.862 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.201 -1.568 4.641 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.867 -1.041 4.774 1.00 0.00 H new ATOM 385 N LYS A 29 -12.077 2.639 4.355 1.00 0.00 N ATOM 386 CA LYS A 29 -12.959 3.780 4.136 1.00 0.00 C ATOM 387 C LYS A 29 -13.812 3.576 2.889 1.00 0.00 C ATOM 388 O LYS A 29 -14.416 4.519 2.377 1.00 0.00 O ATOM 389 CB LYS A 29 -12.139 5.065 4.003 1.00 0.00 C ATOM 390 CG LYS A 29 -11.475 5.501 5.297 1.00 0.00 C ATOM 391 CD LYS A 29 -12.495 5.996 6.309 1.00 0.00 C ATOM 392 CE LYS A 29 -11.840 6.832 7.397 1.00 0.00 C ATOM 393 NZ LYS A 29 -11.755 8.270 7.017 1.00 0.00 N ATOM 0 H LYS A 29 -11.172 2.711 3.890 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.622 3.867 4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.372 4.919 3.242 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.789 5.866 3.651 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.917 4.665 5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.755 6.292 5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.255 6.589 5.801 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.004 5.144 6.760 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.408 6.734 8.322 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.839 6.449 7.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.612 8.847 7.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.956 8.410 6.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.638 8.558 6.549 1.00 0.00 H new ATOM 407 N LYS A 30 -13.860 2.340 2.405 1.00 0.00 N ATOM 408 CA LYS A 30 -14.642 2.011 1.219 1.00 0.00 C ATOM 409 C LYS A 30 -15.800 1.084 1.571 1.00 0.00 C ATOM 410 O LYS A 30 -16.966 1.424 1.365 1.00 0.00 O ATOM 411 CB LYS A 30 -13.751 1.353 0.162 1.00 0.00 C ATOM 412 CG LYS A 30 -14.524 0.791 -1.019 1.00 0.00 C ATOM 413 CD LYS A 30 -14.745 1.844 -2.092 1.00 0.00 C ATOM 414 CE LYS A 30 -16.044 1.606 -2.847 1.00 0.00 C ATOM 415 NZ LYS A 30 -15.953 0.424 -3.748 1.00 0.00 N ATOM 0 H LYS A 30 -13.366 1.548 2.816 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.051 2.937 0.815 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.030 2.086 -0.201 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.181 0.549 0.628 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.980 -0.053 -1.443 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.487 0.411 -0.677 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.765 2.833 -1.634 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.909 1.833 -2.791 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.856 1.458 -2.135 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.291 2.491 -3.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.104 0.725 -4.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.011 -0.009 -3.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -16.680 -0.271 -3.483 1.00 0.00 H new ATOM 429 N CYS A 31 -15.473 -0.088 2.106 1.00 0.00 N ATOM 430 CA CYS A 31 -16.486 -1.064 2.488 1.00 0.00 C ATOM 431 C CYS A 31 -16.688 -1.075 4.001 1.00 0.00 C ATOM 432 O CYS A 31 -17.210 -2.038 4.561 1.00 0.00 O ATOM 433 CB CYS A 31 -16.087 -2.460 2.006 1.00 0.00 C ATOM 434 SG CYS A 31 -14.588 -3.121 2.803 1.00 0.00 S ATOM 0 H CYS A 31 -14.514 -0.385 2.285 1.00 0.00 H new ATOM 0 HA CYS A 31 -17.426 -0.778 2.015 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -16.915 -3.146 2.187 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.929 -2.429 0.928 1.00 0.00 H new ATOM 439 N SER A 32 -16.270 0.004 4.655 1.00 0.00 N ATOM 440 CA SER A 32 -16.402 0.118 6.103 1.00 0.00 C ATOM 441 C SER A 32 -16.135 -1.223 6.780 1.00 0.00 C ATOM 442 O SER A 32 -16.964 -1.721 7.541 1.00 0.00 O ATOM 443 CB SER A 32 -17.799 0.619 6.472 1.00 0.00 C ATOM 444 OG SER A 32 -17.807 1.205 7.762 1.00 0.00 O ATOM 0 H SER A 32 -15.837 0.811 4.206 1.00 0.00 H new ATOM 0 HA SER A 32 -15.662 0.837 6.455 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.133 1.350 5.735 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.506 -0.210 6.442 1.00 0.00 H new ATOM 0 HG SER A 32 -18.711 1.519 7.973 1.00 0.00 H new ATOM 450 N GLU A 33 -14.972 -1.801 6.496 1.00 0.00 N ATOM 451 CA GLU A 33 -14.596 -3.085 7.077 1.00 0.00 C ATOM 452 C GLU A 33 -13.275 -2.975 7.832 1.00 0.00 C ATOM 453 O GLU A 33 -12.705 -1.890 7.952 1.00 0.00 O ATOM 454 CB GLU A 33 -14.484 -4.151 5.985 1.00 0.00 C ATOM 455 CG GLU A 33 -15.828 -4.632 5.464 1.00 0.00 C ATOM 456 CD GLU A 33 -15.764 -6.035 4.893 1.00 0.00 C ATOM 457 OE1 GLU A 33 -15.522 -6.981 5.672 1.00 0.00 O ATOM 458 OE2 GLU A 33 -15.956 -6.188 3.669 1.00 0.00 O ATOM 0 H GLU A 33 -14.275 -1.401 5.868 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.374 -3.377 7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.905 -3.748 5.154 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.929 -5.004 6.377 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.558 -4.606 6.273 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -16.182 -3.946 4.694 1.00 0.00 H new ATOM 465 N SER A 34 -12.795 -4.105 8.341 1.00 0.00 N ATOM 466 CA SER A 34 -11.543 -4.135 9.089 1.00 0.00 C ATOM 467 C SER A 34 -10.416 -4.713 8.238 1.00 0.00 C ATOM 468 O SER A 34 -10.571 -5.762 7.612 1.00 0.00 O ATOM 469 CB SER A 34 -11.708 -4.961 10.366 1.00 0.00 C ATOM 470 OG SER A 34 -10.545 -4.890 11.173 1.00 0.00 O ATOM 0 H SER A 34 -13.254 -5.011 8.249 1.00 0.00 H new ATOM 0 HA SER A 34 -11.284 -3.111 9.358 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.568 -4.598 10.929 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.912 -6.000 10.107 1.00 0.00 H new ATOM 0 HG SER A 34 -10.676 -5.425 11.984 1.00 0.00 H new ATOM 476 N ILE A 35 -9.282 -4.020 8.220 1.00 0.00 N ATOM 477 CA ILE A 35 -8.128 -4.463 7.448 1.00 0.00 C ATOM 478 C ILE A 35 -7.341 -5.531 8.200 1.00 0.00 C ATOM 479 O ILE A 35 -6.854 -5.312 9.309 1.00 0.00 O ATOM 480 CB ILE A 35 -7.190 -3.289 7.113 1.00 0.00 C ATOM 481 CG1 ILE A 35 -7.944 -2.212 6.331 1.00 0.00 C ATOM 482 CG2 ILE A 35 -5.987 -3.781 6.322 1.00 0.00 C ATOM 483 CD1 ILE A 35 -7.218 -0.886 6.275 1.00 0.00 C ATOM 0 H ILE A 35 -9.138 -3.149 8.732 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.513 -4.885 6.520 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.833 -2.851 8.045 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.116 -2.566 5.315 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.923 -2.062 6.786 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.333 -2.939 6.093 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.439 -4.516 6.912 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.325 -4.241 5.394 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.811 -0.170 5.705 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.069 -0.510 7.287 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.250 -1.021 5.792 1.00 0.00 H new ATOM 495 N PRO A 36 -7.210 -6.714 7.583 1.00 0.00 N ATOM 496 CA PRO A 36 -6.479 -7.839 8.174 1.00 0.00 C ATOM 497 C PRO A 36 -4.976 -7.590 8.228 1.00 0.00 C ATOM 498 O PRO A 36 -4.423 -6.883 7.386 1.00 0.00 O ATOM 499 CB PRO A 36 -6.795 -9.003 7.231 1.00 0.00 C ATOM 500 CG PRO A 36 -7.110 -8.357 5.926 1.00 0.00 C ATOM 501 CD PRO A 36 -7.764 -7.045 6.259 1.00 0.00 C ATOM 0 HA PRO A 36 -6.774 -8.018 9.208 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.947 -9.682 7.142 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.637 -9.591 7.596 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.205 -8.203 5.338 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.774 -8.984 5.331 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.526 -6.279 5.521 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.850 -7.133 6.288 1.00 0.00 H new ATOM 509 N LYS A 37 -4.319 -8.176 9.224 1.00 0.00 N ATOM 510 CA LYS A 37 -2.879 -8.020 9.387 1.00 0.00 C ATOM 511 C LYS A 37 -2.121 -8.876 8.378 1.00 0.00 C ATOM 512 O LYS A 37 -2.584 -9.948 7.987 1.00 0.00 O ATOM 513 CB LYS A 37 -2.462 -8.399 10.810 1.00 0.00 C ATOM 514 CG LYS A 37 -0.957 -8.426 11.016 1.00 0.00 C ATOM 515 CD LYS A 37 -0.577 -9.235 12.245 1.00 0.00 C ATOM 516 CE LYS A 37 0.928 -9.239 12.466 1.00 0.00 C ATOM 517 NZ LYS A 37 1.361 -10.387 13.309 1.00 0.00 N ATOM 0 H LYS A 37 -4.762 -8.763 9.930 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.630 -6.974 9.209 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.903 -7.690 11.510 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.871 -9.380 11.050 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.476 -8.852 10.136 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.585 -7.407 11.121 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.074 -8.821 13.122 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.932 -10.259 12.132 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.436 -9.283 11.503 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.228 -8.305 12.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.393 -10.354 13.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.895 -10.331 14.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.098 -11.279 12.843 1.00 0.00 H new ATOM 531 N ASP A 38 -0.953 -8.398 7.962 1.00 0.00 N ATOM 532 CA ASP A 38 -0.130 -9.122 7.000 1.00 0.00 C ATOM 533 C ASP A 38 -0.837 -9.233 5.654 1.00 0.00 C ATOM 534 O ASP A 38 -0.830 -10.290 5.023 1.00 0.00 O ATOM 535 CB ASP A 38 0.205 -10.517 7.531 1.00 0.00 C ATOM 536 CG ASP A 38 1.531 -11.032 7.008 1.00 0.00 C ATOM 537 OD1 ASP A 38 2.580 -10.627 7.550 1.00 0.00 O ATOM 538 OD2 ASP A 38 1.520 -11.841 6.056 1.00 0.00 O ATOM 0 H ASP A 38 -0.555 -7.513 8.276 1.00 0.00 H new ATOM 0 HA ASP A 38 0.795 -8.564 6.858 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.233 -10.491 8.620 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.588 -11.210 7.249 1.00 0.00 H new ATOM 543 N SER A 39 -1.448 -8.135 5.220 1.00 0.00 N ATOM 544 CA SER A 39 -2.165 -8.110 3.950 1.00 0.00 C ATOM 545 C SER A 39 -1.736 -6.912 3.108 1.00 0.00 C ATOM 546 O SER A 39 -1.346 -5.872 3.639 1.00 0.00 O ATOM 547 CB SER A 39 -3.675 -8.063 4.193 1.00 0.00 C ATOM 548 OG SER A 39 -4.068 -6.805 4.713 1.00 0.00 O ATOM 0 H SER A 39 -1.461 -7.251 5.729 1.00 0.00 H new ATOM 0 HA SER A 39 -1.921 -9.022 3.405 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.203 -8.255 3.259 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.960 -8.853 4.888 1.00 0.00 H new ATOM 0 HG SER A 39 -4.401 -6.919 5.628 1.00 0.00 H new ATOM 554 N LEU A 40 -1.812 -7.067 1.790 1.00 0.00 N ATOM 555 CA LEU A 40 -1.432 -5.998 0.872 1.00 0.00 C ATOM 556 C LEU A 40 -2.509 -4.920 0.817 1.00 0.00 C ATOM 557 O LEU A 40 -3.610 -5.153 0.317 1.00 0.00 O ATOM 558 CB LEU A 40 -1.189 -6.565 -0.528 1.00 0.00 C ATOM 559 CG LEU A 40 -0.502 -5.627 -1.522 1.00 0.00 C ATOM 560 CD1 LEU A 40 0.932 -5.357 -1.096 1.00 0.00 C ATOM 561 CD2 LEU A 40 -0.542 -6.215 -2.925 1.00 0.00 C ATOM 0 H LEU A 40 -2.133 -7.921 1.334 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.511 -5.546 1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.585 -7.467 -0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.149 -6.867 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.041 -4.680 -1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.405 -4.688 -1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.937 -4.893 -0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.483 -6.297 -1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.049 -5.534 -3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.027 -7.176 -2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.579 -6.357 -3.231 1.00 0.00 H new ATOM 573 N ARG A 41 -2.182 -3.738 1.331 1.00 0.00 N ATOM 574 CA ARG A 41 -3.121 -2.623 1.339 1.00 0.00 C ATOM 575 C ARG A 41 -2.460 -1.352 0.813 1.00 0.00 C ATOM 576 O ARG A 41 -1.246 -1.307 0.619 1.00 0.00 O ATOM 577 CB ARG A 41 -3.653 -2.386 2.754 1.00 0.00 C ATOM 578 CG ARG A 41 -2.645 -1.726 3.680 1.00 0.00 C ATOM 579 CD ARG A 41 -3.075 -1.830 5.135 1.00 0.00 C ATOM 580 NE ARG A 41 -1.982 -1.516 6.053 1.00 0.00 N ATOM 581 CZ ARG A 41 -2.162 -1.215 7.334 1.00 0.00 C ATOM 582 NH1 ARG A 41 -3.384 -1.188 7.847 1.00 0.00 N ATOM 583 NH2 ARG A 41 -1.118 -0.941 8.105 1.00 0.00 N ATOM 0 H ARG A 41 -1.274 -3.529 1.747 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.954 -2.877 0.683 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.545 -1.762 2.698 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.958 -3.340 3.183 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.670 -2.196 3.553 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.531 -0.677 3.407 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.907 -1.150 5.316 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.438 -2.838 5.335 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.029 -1.529 5.690 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.189 -1.399 7.258 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.519 -0.956 8.831 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.176 -0.961 7.714 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.257 -0.710 9.089 1.00 0.00 H new ATOM 597 N MET A 42 -3.269 -0.322 0.584 1.00 0.00 N ATOM 598 CA MET A 42 -2.762 0.949 0.081 1.00 0.00 C ATOM 599 C MET A 42 -3.151 2.095 1.010 1.00 0.00 C ATOM 600 O MET A 42 -3.898 1.903 1.968 1.00 0.00 O ATOM 601 CB MET A 42 -3.297 1.215 -1.327 1.00 0.00 C ATOM 602 CG MET A 42 -2.487 0.541 -2.423 1.00 0.00 C ATOM 603 SD MET A 42 -1.208 1.616 -3.102 1.00 0.00 S ATOM 604 CE MET A 42 -1.296 1.190 -4.839 1.00 0.00 C ATOM 0 H MET A 42 -4.277 -0.343 0.739 1.00 0.00 H new ATOM 0 HA MET A 42 -1.674 0.888 0.043 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.329 0.870 -1.386 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.309 2.290 -1.505 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.024 -0.362 -2.024 1.00 0.00 H new ATOM 0 HG3 MET A 42 -3.157 0.228 -3.224 1.00 0.00 H new ATOM 0 HE1 MET A 42 -0.328 0.815 -5.171 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.053 0.420 -4.987 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.560 2.075 -5.418 1.00 0.00 H new ATOM 614 N ALA A 43 -2.638 3.286 0.720 1.00 0.00 N ATOM 615 CA ALA A 43 -2.933 4.463 1.528 1.00 0.00 C ATOM 616 C ALA A 43 -2.983 5.721 0.669 1.00 0.00 C ATOM 617 O ALA A 43 -2.248 5.843 -0.312 1.00 0.00 O ATOM 618 CB ALA A 43 -1.899 4.616 2.634 1.00 0.00 C ATOM 0 H ALA A 43 -2.016 3.461 -0.069 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.915 4.326 1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.131 5.499 3.230 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.916 3.733 3.272 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.908 4.726 2.193 1.00 0.00 H new ATOM 624 N ILE A 44 -3.852 6.654 1.043 1.00 0.00 N ATOM 625 CA ILE A 44 -3.997 7.903 0.305 1.00 0.00 C ATOM 626 C ILE A 44 -3.992 9.101 1.248 1.00 0.00 C ATOM 627 O ILE A 44 -4.723 9.128 2.238 1.00 0.00 O ATOM 628 CB ILE A 44 -5.295 7.921 -0.523 1.00 0.00 C ATOM 629 CG1 ILE A 44 -5.272 6.807 -1.572 1.00 0.00 C ATOM 630 CG2 ILE A 44 -5.480 9.277 -1.187 1.00 0.00 C ATOM 631 CD1 ILE A 44 -6.093 5.597 -1.185 1.00 0.00 C ATOM 0 H ILE A 44 -4.466 6.569 1.853 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.145 7.971 -0.371 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.138 7.747 0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.644 7.201 -2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.240 6.498 -1.740 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.402 9.274 -1.769 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.536 10.052 -0.422 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.635 9.478 -1.846 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.031 4.848 -1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.707 5.178 -0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.133 5.892 -1.046 1.00 0.00 H new ATOM 643 N MET A 45 -3.163 10.092 0.933 1.00 0.00 N ATOM 644 CA MET A 45 -3.066 11.295 1.751 1.00 0.00 C ATOM 645 C MET A 45 -4.199 12.265 1.429 1.00 0.00 C ATOM 646 O MET A 45 -4.246 12.841 0.342 1.00 0.00 O ATOM 647 CB MET A 45 -1.715 11.979 1.530 1.00 0.00 C ATOM 648 CG MET A 45 -0.565 11.301 2.256 1.00 0.00 C ATOM 649 SD MET A 45 -0.255 12.011 3.884 1.00 0.00 S ATOM 650 CE MET A 45 -1.797 11.639 4.715 1.00 0.00 C ATOM 0 H MET A 45 -2.550 10.085 0.118 1.00 0.00 H new ATOM 0 HA MET A 45 -3.150 11.001 2.797 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.498 12.000 0.462 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.783 13.015 1.862 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.784 10.239 2.363 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.338 11.381 1.651 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.715 11.904 5.769 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.604 12.212 4.258 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.012 10.574 4.624 1.00 0.00 H new ATOM 660 N VAL A 46 -5.110 12.440 2.381 1.00 0.00 N ATOM 661 CA VAL A 46 -6.242 13.341 2.199 1.00 0.00 C ATOM 662 C VAL A 46 -6.439 14.230 3.421 1.00 0.00 C ATOM 663 O VAL A 46 -5.779 14.050 4.444 1.00 0.00 O ATOM 664 CB VAL A 46 -7.542 12.560 1.931 1.00 0.00 C ATOM 665 CG1 VAL A 46 -7.497 11.900 0.562 1.00 0.00 C ATOM 666 CG2 VAL A 46 -7.777 11.526 3.023 1.00 0.00 C ATOM 0 H VAL A 46 -5.086 11.970 3.286 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.015 13.964 1.334 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.375 13.262 1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.424 11.353 0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.379 12.664 -0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.655 11.209 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.700 10.983 2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.942 10.826 3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.858 12.027 3.987 1.00 0.00 H new ATOM 676 N GLN A 47 -7.350 15.191 3.306 1.00 0.00 N ATOM 677 CA GLN A 47 -7.634 16.109 4.403 1.00 0.00 C ATOM 678 C GLN A 47 -8.995 15.813 5.023 1.00 0.00 C ATOM 679 O GLN A 47 -9.956 15.508 4.317 1.00 0.00 O ATOM 680 CB GLN A 47 -7.589 17.556 3.908 1.00 0.00 C ATOM 681 CG GLN A 47 -7.184 18.553 4.982 1.00 0.00 C ATOM 682 CD GLN A 47 -7.726 19.945 4.720 1.00 0.00 C ATOM 683 OE1 GLN A 47 -7.930 20.338 3.571 1.00 0.00 O ATOM 684 NE2 GLN A 47 -7.963 20.699 5.787 1.00 0.00 N ATOM 0 H GLN A 47 -7.904 15.354 2.465 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.870 15.969 5.168 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.888 17.625 3.076 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.571 17.830 3.521 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.543 18.204 5.950 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -6.096 18.596 5.041 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.779 20.333 6.721 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.329 21.644 5.672 1.00 0.00 H new ATOM 693 N SER A 48 -9.070 15.906 6.347 1.00 0.00 N ATOM 694 CA SER A 48 -10.313 15.644 7.062 1.00 0.00 C ATOM 695 C SER A 48 -11.000 16.949 7.454 1.00 0.00 C ATOM 696 O SER A 48 -10.359 17.924 7.846 1.00 0.00 O ATOM 697 CB SER A 48 -10.040 14.804 8.311 1.00 0.00 C ATOM 698 OG SER A 48 -10.075 13.419 8.012 1.00 0.00 O ATOM 0 H SER A 48 -8.285 16.161 6.946 1.00 0.00 H new ATOM 0 HA SER A 48 -10.976 15.090 6.397 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.065 15.066 8.723 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.782 15.033 9.076 1.00 0.00 H new ATOM 0 HG SER A 48 -9.896 12.904 8.826 1.00 0.00 H new ATOM 704 N PRO A 49 -12.336 16.969 7.345 1.00 0.00 N ATOM 705 CA PRO A 49 -13.141 18.147 7.683 1.00 0.00 C ATOM 706 C PRO A 49 -13.160 18.425 9.183 1.00 0.00 C ATOM 707 O PRO A 49 -13.342 19.564 9.610 1.00 0.00 O ATOM 708 CB PRO A 49 -14.541 17.774 7.190 1.00 0.00 C ATOM 709 CG PRO A 49 -14.566 16.285 7.211 1.00 0.00 C ATOM 710 CD PRO A 49 -13.166 15.843 6.884 1.00 0.00 C ATOM 0 HA PRO A 49 -12.744 19.056 7.231 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -15.313 18.192 7.836 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -14.723 18.159 6.187 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -14.874 15.914 8.188 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -15.278 15.896 6.483 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -12.907 14.917 7.397 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.041 15.662 5.816 1.00 0.00 H new ATOM 718 N MET A 50 -12.972 17.376 9.976 1.00 0.00 N ATOM 719 CA MET A 50 -12.966 17.508 11.429 1.00 0.00 C ATOM 720 C MET A 50 -11.593 17.945 11.930 1.00 0.00 C ATOM 721 O MET A 50 -11.484 18.838 12.770 1.00 0.00 O ATOM 722 CB MET A 50 -13.363 16.184 12.084 1.00 0.00 C ATOM 723 CG MET A 50 -14.794 15.764 11.788 1.00 0.00 C ATOM 724 SD MET A 50 -16.009 16.788 12.641 1.00 0.00 S ATOM 725 CE MET A 50 -17.254 16.969 11.366 1.00 0.00 C ATOM 0 H MET A 50 -12.822 16.425 9.638 1.00 0.00 H new ATOM 0 HA MET A 50 -13.693 18.273 11.702 1.00 0.00 H new ATOM 0 HB2 MET A 50 -12.685 15.402 11.742 1.00 0.00 H new ATOM 0 HB3 MET A 50 -13.234 16.269 13.163 1.00 0.00 H new ATOM 0 HG2 MET A 50 -14.969 15.818 10.714 1.00 0.00 H new ATOM 0 HG3 MET A 50 -14.931 14.723 12.082 1.00 0.00 H new ATOM 0 HE1 MET A 50 -18.074 17.580 11.743 1.00 0.00 H new ATOM 0 HE2 MET A 50 -16.814 17.451 10.493 1.00 0.00 H new ATOM 0 HE3 MET A 50 -17.633 15.986 11.085 1.00 0.00 H new ATOM 735 N PHE A 51 -10.549 17.310 11.409 1.00 0.00 N ATOM 736 CA PHE A 51 -9.183 17.633 11.805 1.00 0.00 C ATOM 737 C PHE A 51 -8.651 18.819 11.005 1.00 0.00 C ATOM 738 O PHE A 51 -9.284 19.273 10.052 1.00 0.00 O ATOM 739 CB PHE A 51 -8.272 16.420 11.607 1.00 0.00 C ATOM 740 CG PHE A 51 -7.066 16.423 12.504 1.00 0.00 C ATOM 741 CD1 PHE A 51 -7.209 16.329 13.879 1.00 0.00 C ATOM 742 CD2 PHE A 51 -5.791 16.520 11.971 1.00 0.00 C ATOM 743 CE1 PHE A 51 -6.101 16.333 14.705 1.00 0.00 C ATOM 744 CE2 PHE A 51 -4.679 16.524 12.793 1.00 0.00 C ATOM 745 CZ PHE A 51 -4.835 16.429 14.162 1.00 0.00 C ATOM 0 H PHE A 51 -10.622 16.569 10.712 1.00 0.00 H new ATOM 0 HA PHE A 51 -9.191 17.904 12.861 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.846 15.511 11.787 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -7.942 16.389 10.568 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -8.196 16.252 14.310 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.664 16.593 10.901 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.225 16.261 15.775 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.690 16.601 12.365 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.968 16.430 14.807 1.00 0.00 H new ATOM 755 N ASP A 52 -7.484 19.315 11.400 1.00 0.00 N ATOM 756 CA ASP A 52 -6.865 20.447 10.721 1.00 0.00 C ATOM 757 C ASP A 52 -5.591 20.018 10.000 1.00 0.00 C ATOM 758 O ASP A 52 -4.588 20.731 10.013 1.00 0.00 O ATOM 759 CB ASP A 52 -6.549 21.560 11.722 1.00 0.00 C ATOM 760 CG ASP A 52 -6.016 21.022 13.035 1.00 0.00 C ATOM 761 OD1 ASP A 52 -4.820 20.664 13.088 1.00 0.00 O ATOM 762 OD2 ASP A 52 -6.793 20.961 14.010 1.00 0.00 O ATOM 0 H ASP A 52 -6.947 18.951 12.187 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.571 20.824 9.981 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.816 22.239 11.287 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.451 22.142 11.910 1.00 0.00 H new ATOM 767 N GLY A 53 -5.638 18.847 9.371 1.00 0.00 N ATOM 768 CA GLY A 53 -4.481 18.343 8.655 1.00 0.00 C ATOM 769 C GLY A 53 -4.826 17.186 7.738 1.00 0.00 C ATOM 770 O GLY A 53 -5.988 16.990 7.383 1.00 0.00 O ATOM 0 H GLY A 53 -6.457 18.239 9.345 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.041 19.149 8.068 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.725 18.022 9.372 1.00 0.00 H new ATOM 774 N LYS A 54 -3.813 16.417 7.352 1.00 0.00 N ATOM 775 CA LYS A 54 -4.014 15.273 6.471 1.00 0.00 C ATOM 776 C LYS A 54 -4.003 13.968 7.261 1.00 0.00 C ATOM 777 O LYS A 54 -3.280 13.835 8.249 1.00 0.00 O ATOM 778 CB LYS A 54 -2.928 15.237 5.393 1.00 0.00 C ATOM 779 CG LYS A 54 -3.190 16.183 4.234 1.00 0.00 C ATOM 780 CD LYS A 54 -2.065 16.139 3.213 1.00 0.00 C ATOM 781 CE LYS A 54 -2.210 17.242 2.176 1.00 0.00 C ATOM 782 NZ LYS A 54 -1.533 18.498 2.603 1.00 0.00 N ATOM 0 H LYS A 54 -2.845 16.566 7.636 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.988 15.380 5.995 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.969 15.488 5.847 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.842 14.220 5.009 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.131 15.917 3.752 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.301 17.200 4.611 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.106 16.240 3.722 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.061 15.169 2.716 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.789 16.907 1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.268 17.441 2.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.655 19.225 1.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.952 18.832 3.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.519 18.315 2.744 1.00 0.00 H new ATOM 796 N VAL A 55 -4.809 13.008 6.820 1.00 0.00 N ATOM 797 CA VAL A 55 -4.890 11.713 7.485 1.00 0.00 C ATOM 798 C VAL A 55 -4.741 10.571 6.486 1.00 0.00 C ATOM 799 O VAL A 55 -5.273 10.611 5.376 1.00 0.00 O ATOM 800 CB VAL A 55 -6.225 11.551 8.237 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.385 12.642 9.284 1.00 0.00 C ATOM 802 CG2 VAL A 55 -7.391 11.563 7.260 1.00 0.00 C ATOM 0 H VAL A 55 -5.415 13.102 6.005 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.070 11.674 8.202 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.219 10.589 8.749 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.334 12.511 9.804 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.566 12.581 10.001 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.370 13.618 8.798 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.326 11.447 7.808 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.402 12.509 6.718 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.281 10.741 6.552 1.00 0.00 H new ATOM 812 N PRO A 56 -3.998 9.528 6.886 1.00 0.00 N ATOM 813 CA PRO A 56 -3.762 8.354 6.040 1.00 0.00 C ATOM 814 C PRO A 56 -5.019 7.513 5.851 1.00 0.00 C ATOM 815 O PRO A 56 -5.538 6.931 6.805 1.00 0.00 O ATOM 816 CB PRO A 56 -2.702 7.567 6.815 1.00 0.00 C ATOM 817 CG PRO A 56 -2.887 7.979 8.235 1.00 0.00 C ATOM 818 CD PRO A 56 -3.333 9.414 8.195 1.00 0.00 C ATOM 0 HA PRO A 56 -3.454 8.633 5.032 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.839 6.493 6.693 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.698 7.802 6.462 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.630 7.353 8.729 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.958 7.874 8.796 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.014 9.646 9.013 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.490 10.099 8.278 1.00 0.00 H new ATOM 826 N HIS A 57 -5.505 7.451 4.615 1.00 0.00 N ATOM 827 CA HIS A 57 -6.702 6.679 4.302 1.00 0.00 C ATOM 828 C HIS A 57 -6.333 5.293 3.780 1.00 0.00 C ATOM 829 O HIS A 57 -5.788 5.157 2.686 1.00 0.00 O ATOM 830 CB HIS A 57 -7.554 7.416 3.268 1.00 0.00 C ATOM 831 CG HIS A 57 -8.542 8.365 3.872 1.00 0.00 C ATOM 832 ND1 HIS A 57 -9.678 8.789 3.216 1.00 0.00 N ATOM 833 CD2 HIS A 57 -8.560 8.973 5.082 1.00 0.00 C ATOM 834 CE1 HIS A 57 -10.351 9.617 3.994 1.00 0.00 C ATOM 835 NE2 HIS A 57 -9.694 9.745 5.133 1.00 0.00 N ATOM 0 H HIS A 57 -5.088 7.926 3.814 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.279 6.561 5.219 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.897 7.968 2.595 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.089 6.684 2.662 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -7.820 8.870 5.862 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -11.280 10.106 3.742 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -9.982 10.323 5.922 1.00 0.00 H new ATOM 843 N TRP A 58 -6.634 4.270 4.571 1.00 0.00 N ATOM 844 CA TRP A 58 -6.334 2.895 4.189 1.00 0.00 C ATOM 845 C TRP A 58 -7.457 2.307 3.343 1.00 0.00 C ATOM 846 O TRP A 58 -8.633 2.591 3.572 1.00 0.00 O ATOM 847 CB TRP A 58 -6.113 2.035 5.435 1.00 0.00 C ATOM 848 CG TRP A 58 -4.982 2.513 6.294 1.00 0.00 C ATOM 849 CD1 TRP A 58 -5.078 3.112 7.517 1.00 0.00 C ATOM 850 CD2 TRP A 58 -3.584 2.434 5.993 1.00 0.00 C ATOM 851 NE1 TRP A 58 -3.825 3.410 7.995 1.00 0.00 N ATOM 852 CE2 TRP A 58 -2.891 3.003 7.079 1.00 0.00 C ATOM 853 CE3 TRP A 58 -2.851 1.936 4.913 1.00 0.00 C ATOM 854 CZ2 TRP A 58 -1.502 3.088 7.114 1.00 0.00 C ATOM 855 CZ3 TRP A 58 -1.472 2.021 4.948 1.00 0.00 C ATOM 856 CH2 TRP A 58 -0.809 2.592 6.043 1.00 0.00 C ATOM 0 H TRP A 58 -7.085 4.366 5.481 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.421 2.901 3.593 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -7.029 2.023 6.026 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -5.918 1.007 5.128 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -6.003 3.321 8.033 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.623 3.861 8.887 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -3.353 1.492 4.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.990 3.529 7.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.895 1.641 4.118 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.270 2.642 6.042 1.00 0.00 H new ATOM 867 N TYR A 59 -7.089 1.487 2.366 1.00 0.00 N ATOM 868 CA TYR A 59 -8.067 0.861 1.484 1.00 0.00 C ATOM 869 C TYR A 59 -7.612 -0.536 1.070 1.00 0.00 C ATOM 870 O TYR A 59 -6.430 -0.766 0.812 1.00 0.00 O ATOM 871 CB TYR A 59 -8.291 1.725 0.242 1.00 0.00 C ATOM 872 CG TYR A 59 -9.067 2.993 0.519 1.00 0.00 C ATOM 873 CD1 TYR A 59 -10.433 2.954 0.771 1.00 0.00 C ATOM 874 CD2 TYR A 59 -8.434 4.229 0.529 1.00 0.00 C ATOM 875 CE1 TYR A 59 -11.146 4.110 1.023 1.00 0.00 C ATOM 876 CE2 TYR A 59 -9.138 5.391 0.782 1.00 0.00 C ATOM 877 CZ TYR A 59 -10.494 5.326 1.028 1.00 0.00 C ATOM 878 OH TYR A 59 -11.200 6.480 1.281 1.00 0.00 O ATOM 0 H TYR A 59 -6.120 1.240 2.164 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.006 0.771 2.030 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.324 1.987 -0.187 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.824 1.139 -0.507 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.946 2.004 0.770 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.373 4.283 0.336 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.208 4.062 1.215 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.630 6.344 0.787 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.665 7.073 1.849 1.00 0.00 H new ATOM 888 N HIS A 60 -8.560 -1.466 1.008 1.00 0.00 N ATOM 889 CA HIS A 60 -8.258 -2.840 0.625 1.00 0.00 C ATOM 890 C HIS A 60 -7.629 -2.891 -0.764 1.00 0.00 C ATOM 891 O HIS A 60 -7.956 -2.085 -1.635 1.00 0.00 O ATOM 892 CB HIS A 60 -9.529 -3.690 0.653 1.00 0.00 C ATOM 893 CG HIS A 60 -9.942 -4.104 2.032 1.00 0.00 C ATOM 894 ND1 HIS A 60 -11.199 -3.863 2.545 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.257 -4.748 3.005 1.00 0.00 C ATOM 896 CE1 HIS A 60 -11.269 -4.340 3.775 1.00 0.00 C ATOM 897 NE2 HIS A 60 -10.104 -4.882 4.078 1.00 0.00 N ATOM 0 H HIS A 60 -9.543 -1.293 1.218 1.00 0.00 H new ATOM 0 HA HIS A 60 -7.544 -3.243 1.343 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.342 -3.129 0.192 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.373 -4.582 0.046 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.235 -5.092 2.949 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -12.132 -4.294 4.422 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -9.871 -5.328 4.965 1.00 0.00 H new ATOM 905 N PHE A 61 -6.724 -3.843 -0.964 1.00 0.00 N ATOM 906 CA PHE A 61 -6.047 -3.998 -2.246 1.00 0.00 C ATOM 907 C PHE A 61 -7.014 -3.766 -3.403 1.00 0.00 C ATOM 908 O PHE A 61 -6.635 -3.231 -4.445 1.00 0.00 O ATOM 909 CB PHE A 61 -5.429 -5.394 -2.356 1.00 0.00 C ATOM 910 CG PHE A 61 -4.626 -5.597 -3.608 1.00 0.00 C ATOM 911 CD1 PHE A 61 -3.605 -4.722 -3.942 1.00 0.00 C ATOM 912 CD2 PHE A 61 -4.892 -6.663 -4.452 1.00 0.00 C ATOM 913 CE1 PHE A 61 -2.863 -4.906 -5.094 1.00 0.00 C ATOM 914 CE2 PHE A 61 -4.153 -6.853 -5.605 1.00 0.00 C ATOM 915 CZ PHE A 61 -3.139 -5.973 -5.927 1.00 0.00 C ATOM 0 H PHE A 61 -6.442 -4.519 -0.254 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.254 -3.252 -2.302 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.789 -5.568 -1.491 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.224 -6.139 -2.319 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.386 -3.886 -3.294 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.685 -7.353 -4.207 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.069 -4.217 -5.342 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.369 -7.689 -6.253 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.563 -6.119 -6.829 1.00 0.00 H new ATOM 925 N SER A 62 -8.265 -4.172 -3.212 1.00 0.00 N ATOM 926 CA SER A 62 -9.287 -4.013 -4.240 1.00 0.00 C ATOM 927 C SER A 62 -10.025 -2.688 -4.072 1.00 0.00 C ATOM 928 O SER A 62 -10.073 -1.870 -4.991 1.00 0.00 O ATOM 929 CB SER A 62 -10.281 -5.174 -4.185 1.00 0.00 C ATOM 930 OG SER A 62 -10.921 -5.238 -2.922 1.00 0.00 O ATOM 0 H SER A 62 -8.596 -4.614 -2.354 1.00 0.00 H new ATOM 0 HA SER A 62 -8.793 -4.013 -5.212 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.028 -5.054 -4.969 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.761 -6.112 -4.381 1.00 0.00 H new ATOM 0 HG SER A 62 -11.553 -5.987 -2.913 1.00 0.00 H new ATOM 936 N CYS A 63 -10.599 -2.483 -2.891 1.00 0.00 N ATOM 937 CA CYS A 63 -11.335 -1.259 -2.600 1.00 0.00 C ATOM 938 C CYS A 63 -10.573 -0.035 -3.098 1.00 0.00 C ATOM 939 O CYS A 63 -11.163 0.893 -3.654 1.00 0.00 O ATOM 940 CB CYS A 63 -11.590 -1.138 -1.096 1.00 0.00 C ATOM 941 SG CYS A 63 -12.745 -2.382 -0.435 1.00 0.00 S ATOM 0 H CYS A 63 -10.568 -3.150 -2.120 1.00 0.00 H new ATOM 0 HA CYS A 63 -12.291 -1.307 -3.121 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.640 -1.224 -0.569 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.983 -0.144 -0.884 1.00 0.00 H new ATOM 946 N PHE A 64 -9.260 -0.039 -2.896 1.00 0.00 N ATOM 947 CA PHE A 64 -8.417 1.071 -3.324 1.00 0.00 C ATOM 948 C PHE A 64 -8.603 1.353 -4.812 1.00 0.00 C ATOM 949 O PHE A 64 -8.559 2.504 -5.247 1.00 0.00 O ATOM 950 CB PHE A 64 -6.947 0.766 -3.031 1.00 0.00 C ATOM 951 CG PHE A 64 -5.998 1.777 -3.608 1.00 0.00 C ATOM 952 CD1 PHE A 64 -5.492 1.620 -4.888 1.00 0.00 C ATOM 953 CD2 PHE A 64 -5.611 2.884 -2.870 1.00 0.00 C ATOM 954 CE1 PHE A 64 -4.618 2.549 -5.421 1.00 0.00 C ATOM 955 CE2 PHE A 64 -4.738 3.816 -3.398 1.00 0.00 C ATOM 956 CZ PHE A 64 -4.241 3.648 -4.676 1.00 0.00 C ATOM 0 H PHE A 64 -8.756 -0.799 -2.438 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.715 1.957 -2.764 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.802 0.718 -1.952 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.702 -0.219 -3.429 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -5.784 0.762 -5.476 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.996 3.020 -1.870 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.230 2.415 -6.420 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.445 4.675 -2.812 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.559 4.375 -5.091 1.00 0.00 H new ATOM 966 N TRP A 65 -8.808 0.294 -5.587 1.00 0.00 N ATOM 967 CA TRP A 65 -9.000 0.427 -7.027 1.00 0.00 C ATOM 968 C TRP A 65 -10.454 0.743 -7.356 1.00 0.00 C ATOM 969 O TRP A 65 -10.744 1.457 -8.316 1.00 0.00 O ATOM 970 CB TRP A 65 -8.570 -0.857 -7.739 1.00 0.00 C ATOM 971 CG TRP A 65 -7.140 -1.226 -7.486 1.00 0.00 C ATOM 972 CD1 TRP A 65 -6.680 -2.382 -6.922 1.00 0.00 C ATOM 973 CD2 TRP A 65 -5.984 -0.436 -7.785 1.00 0.00 C ATOM 974 NE1 TRP A 65 -5.307 -2.358 -6.853 1.00 0.00 N ATOM 975 CE2 TRP A 65 -4.857 -1.175 -7.377 1.00 0.00 C ATOM 976 CE3 TRP A 65 -5.792 0.823 -8.360 1.00 0.00 C ATOM 977 CZ2 TRP A 65 -3.558 -0.694 -7.525 1.00 0.00 C ATOM 978 CZ3 TRP A 65 -4.503 1.299 -8.506 1.00 0.00 C ATOM 979 CH2 TRP A 65 -3.400 0.542 -8.091 1.00 0.00 C ATOM 0 H TRP A 65 -8.846 -0.666 -5.243 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.381 1.253 -7.377 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -9.212 -1.676 -7.415 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.723 -0.738 -8.812 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.303 -3.195 -6.580 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -4.719 -3.100 -6.473 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.636 1.414 -8.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.706 -1.276 -7.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -4.343 2.272 -8.948 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -2.405 0.942 -8.220 1.00 0.00 H new ATOM 990 N LYS A 66 -11.368 0.207 -6.553 1.00 0.00 N ATOM 991 CA LYS A 66 -12.794 0.432 -6.758 1.00 0.00 C ATOM 992 C LYS A 66 -13.109 1.924 -6.793 1.00 0.00 C ATOM 993 O LYS A 66 -13.750 2.412 -7.724 1.00 0.00 O ATOM 994 CB LYS A 66 -13.602 -0.245 -5.649 1.00 0.00 C ATOM 995 CG LYS A 66 -13.625 -1.760 -5.751 1.00 0.00 C ATOM 996 CD LYS A 66 -14.786 -2.355 -4.972 1.00 0.00 C ATOM 997 CE LYS A 66 -14.525 -3.808 -4.606 1.00 0.00 C ATOM 998 NZ LYS A 66 -14.560 -4.696 -5.801 1.00 0.00 N ATOM 0 H LYS A 66 -11.146 -0.387 -5.754 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.071 -0.003 -7.718 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.186 0.039 -4.683 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.626 0.128 -5.677 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -13.700 -2.054 -6.798 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -12.686 -2.165 -5.373 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -14.952 -1.774 -4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -15.697 -2.286 -5.566 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.553 -3.891 -4.120 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.271 -4.140 -3.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.378 -5.678 -5.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -15.496 -4.636 -6.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.831 -4.395 -6.479 1.00 0.00 H new ATOM 1012 N VAL A 67 -12.653 2.645 -5.773 1.00 0.00 N ATOM 1013 CA VAL A 67 -12.884 4.082 -5.688 1.00 0.00 C ATOM 1014 C VAL A 67 -12.479 4.781 -6.981 1.00 0.00 C ATOM 1015 O VAL A 67 -13.210 5.624 -7.499 1.00 0.00 O ATOM 1016 CB VAL A 67 -12.108 4.707 -4.514 1.00 0.00 C ATOM 1017 CG1 VAL A 67 -12.722 4.292 -3.186 1.00 0.00 C ATOM 1018 CG2 VAL A 67 -10.640 4.315 -4.577 1.00 0.00 C ATOM 0 H VAL A 67 -12.121 2.257 -4.994 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.952 4.222 -5.522 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.175 5.792 -4.594 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.160 4.743 -2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -13.758 4.628 -3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.689 3.206 -3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.107 4.766 -3.740 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.550 3.230 -4.523 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.209 4.668 -5.514 1.00 0.00 H new ATOM 1028 N GLY A 68 -11.306 4.424 -7.497 1.00 0.00 N ATOM 1029 CA GLY A 68 -10.823 5.027 -8.726 1.00 0.00 C ATOM 1030 C GLY A 68 -9.446 5.640 -8.568 1.00 0.00 C ATOM 1031 O GLY A 68 -9.151 6.681 -9.157 1.00 0.00 O ATOM 0 H GLY A 68 -10.683 3.729 -7.086 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.793 4.271 -9.511 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.525 5.796 -9.050 1.00 0.00 H new ATOM 1035 N HIS A 69 -8.601 4.996 -7.770 1.00 0.00 N ATOM 1036 CA HIS A 69 -7.247 5.486 -7.536 1.00 0.00 C ATOM 1037 C HIS A 69 -6.269 4.882 -8.539 1.00 0.00 C ATOM 1038 O HIS A 69 -5.185 4.432 -8.169 1.00 0.00 O ATOM 1039 CB HIS A 69 -6.802 5.157 -6.110 1.00 0.00 C ATOM 1040 CG HIS A 69 -7.269 6.152 -5.092 1.00 0.00 C ATOM 1041 ND1 HIS A 69 -7.121 7.514 -5.248 1.00 0.00 N ATOM 1042 CD2 HIS A 69 -7.885 5.975 -3.900 1.00 0.00 C ATOM 1043 CE1 HIS A 69 -7.625 8.132 -4.195 1.00 0.00 C ATOM 1044 NE2 HIS A 69 -8.095 7.221 -3.362 1.00 0.00 N ATOM 0 H HIS A 69 -8.829 4.134 -7.275 1.00 0.00 H new ATOM 0 HA HIS A 69 -7.251 6.568 -7.667 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.177 4.170 -5.840 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -5.714 5.103 -6.081 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -8.160 5.030 -3.455 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -7.649 9.201 -4.041 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -8.541 7.412 -2.465 1.00 0.00 H new ATOM 1052 N SER A 70 -6.661 4.874 -9.809 1.00 0.00 N ATOM 1053 CA SER A 70 -5.821 4.321 -10.865 1.00 0.00 C ATOM 1054 C SER A 70 -4.400 4.870 -10.773 1.00 0.00 C ATOM 1055 O SER A 70 -4.186 5.995 -10.319 1.00 0.00 O ATOM 1056 CB SER A 70 -6.415 4.639 -12.238 1.00 0.00 C ATOM 1057 OG SER A 70 -7.753 4.182 -12.333 1.00 0.00 O ATOM 0 H SER A 70 -7.555 5.244 -10.132 1.00 0.00 H new ATOM 0 HA SER A 70 -5.783 3.239 -10.736 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.382 5.715 -12.412 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.812 4.171 -13.016 1.00 0.00 H new ATOM 0 HG SER A 70 -8.111 4.399 -13.219 1.00 0.00 H new ATOM 1063 N ILE A 71 -3.434 4.068 -11.206 1.00 0.00 N ATOM 1064 CA ILE A 71 -2.034 4.474 -11.174 1.00 0.00 C ATOM 1065 C ILE A 71 -1.259 3.868 -12.340 1.00 0.00 C ATOM 1066 O ILE A 71 -1.350 2.668 -12.602 1.00 0.00 O ATOM 1067 CB ILE A 71 -1.358 4.060 -9.853 1.00 0.00 C ATOM 1068 CG1 ILE A 71 -2.033 4.758 -8.670 1.00 0.00 C ATOM 1069 CG2 ILE A 71 0.127 4.389 -9.893 1.00 0.00 C ATOM 1070 CD1 ILE A 71 -1.777 4.079 -7.343 1.00 0.00 C ATOM 0 H ILE A 71 -3.594 3.134 -11.583 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.019 5.561 -11.256 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.468 2.983 -9.726 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.680 5.788 -8.616 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.108 4.798 -8.847 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.591 4.091 -8.953 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.597 3.851 -10.716 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.258 5.461 -10.038 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.285 4.627 -6.550 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.155 3.057 -7.378 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.706 4.062 -7.144 1.00 0.00 H new ATOM 1082 N ARG A 72 -0.497 4.705 -13.035 1.00 0.00 N ATOM 1083 CA ARG A 72 0.295 4.252 -14.173 1.00 0.00 C ATOM 1084 C ARG A 72 1.570 3.556 -13.705 1.00 0.00 C ATOM 1085 O ARG A 72 1.798 2.385 -14.012 1.00 0.00 O ATOM 1086 CB ARG A 72 0.649 5.433 -15.078 1.00 0.00 C ATOM 1087 CG ARG A 72 -0.378 5.695 -16.168 1.00 0.00 C ATOM 1088 CD ARG A 72 -0.168 4.777 -17.362 1.00 0.00 C ATOM 1089 NE ARG A 72 0.976 5.187 -18.172 1.00 0.00 N ATOM 1090 CZ ARG A 72 1.697 4.345 -18.904 1.00 0.00 C ATOM 1091 NH1 ARG A 72 1.393 3.054 -18.928 1.00 0.00 N ATOM 1092 NH2 ARG A 72 2.724 4.793 -19.615 1.00 0.00 N ATOM 0 H ARG A 72 -0.411 5.701 -12.831 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.303 3.537 -14.738 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.754 6.329 -14.467 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.618 5.247 -15.541 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.381 5.549 -15.767 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.311 6.734 -16.490 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.017 3.756 -17.012 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.067 4.773 -17.979 1.00 0.00 H new ATOM 0 HE ARG A 72 1.235 6.173 -18.176 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.604 2.706 -18.384 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.948 2.410 -19.491 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.961 5.785 -19.600 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.277 4.145 -20.177 1.00 0.00 H new ATOM 1106 N HIS A 73 2.397 4.284 -12.962 1.00 0.00 N ATOM 1107 CA HIS A 73 3.649 3.736 -12.452 1.00 0.00 C ATOM 1108 C HIS A 73 3.690 3.803 -10.928 1.00 0.00 C ATOM 1109 O HIS A 73 4.222 4.743 -10.338 1.00 0.00 O ATOM 1110 CB HIS A 73 4.839 4.495 -13.040 1.00 0.00 C ATOM 1111 CG HIS A 73 4.781 4.639 -14.529 1.00 0.00 C ATOM 1112 ND1 HIS A 73 5.463 5.620 -15.218 1.00 0.00 N ATOM 1113 CD2 HIS A 73 4.118 3.918 -15.463 1.00 0.00 C ATOM 1114 CE1 HIS A 73 5.220 5.497 -16.511 1.00 0.00 C ATOM 1115 NE2 HIS A 73 4.408 4.471 -16.686 1.00 0.00 N ATOM 0 H HIS A 73 2.223 5.254 -12.700 1.00 0.00 H new ATOM 0 HA HIS A 73 3.710 2.690 -12.754 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.886 5.486 -12.589 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.759 3.978 -12.769 1.00 0.00 H new ATOM 0 HD1 HIS A 73 6.062 6.330 -14.795 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.480 3.066 -15.280 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.618 6.128 -17.292 1.00 0.00 H new ATOM 1123 N PRO A 74 3.115 2.782 -10.275 1.00 0.00 N ATOM 1124 CA PRO A 74 3.073 2.702 -8.812 1.00 0.00 C ATOM 1125 C PRO A 74 4.448 2.443 -8.206 1.00 0.00 C ATOM 1126 O PRO A 74 4.643 2.590 -6.999 1.00 0.00 O ATOM 1127 CB PRO A 74 2.141 1.517 -8.548 1.00 0.00 C ATOM 1128 CG PRO A 74 2.244 0.674 -9.772 1.00 0.00 C ATOM 1129 CD PRO A 74 2.462 1.628 -10.914 1.00 0.00 C ATOM 0 HA PRO A 74 2.735 3.636 -8.362 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.446 0.964 -7.660 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.116 1.849 -8.381 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.070 -0.033 -9.691 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.337 0.088 -9.920 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.090 1.190 -11.689 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.521 1.910 -11.387 1.00 0.00 H new ATOM 1137 N ASP A 75 5.399 2.058 -9.050 1.00 0.00 N ATOM 1138 CA ASP A 75 6.757 1.780 -8.598 1.00 0.00 C ATOM 1139 C ASP A 75 7.400 3.032 -8.008 1.00 0.00 C ATOM 1140 O ASP A 75 8.198 2.952 -7.075 1.00 0.00 O ATOM 1141 CB ASP A 75 7.605 1.253 -9.756 1.00 0.00 C ATOM 1142 CG ASP A 75 9.080 1.188 -9.410 1.00 0.00 C ATOM 1143 OD1 ASP A 75 9.707 2.260 -9.281 1.00 0.00 O ATOM 1144 OD2 ASP A 75 9.607 0.065 -9.268 1.00 0.00 O ATOM 0 H ASP A 75 5.254 1.931 -10.052 1.00 0.00 H new ATOM 0 HA ASP A 75 6.706 1.018 -7.820 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.256 0.259 -10.035 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.467 1.895 -10.626 1.00 0.00 H new ATOM 1149 N VAL A 76 7.047 4.188 -8.561 1.00 0.00 N ATOM 1150 CA VAL A 76 7.590 5.457 -8.090 1.00 0.00 C ATOM 1151 C VAL A 76 6.515 6.295 -7.408 1.00 0.00 C ATOM 1152 O VAL A 76 6.773 6.950 -6.398 1.00 0.00 O ATOM 1153 CB VAL A 76 8.201 6.270 -9.247 1.00 0.00 C ATOM 1154 CG1 VAL A 76 9.390 5.534 -9.847 1.00 0.00 C ATOM 1155 CG2 VAL A 76 7.151 6.557 -10.309 1.00 0.00 C ATOM 0 H VAL A 76 6.388 4.272 -9.335 1.00 0.00 H new ATOM 0 HA VAL A 76 8.373 5.219 -7.370 1.00 0.00 H new ATOM 0 HB VAL A 76 8.555 7.222 -8.852 1.00 0.00 H new ATOM 0 HG11 VAL A 76 9.809 6.123 -10.663 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.150 5.384 -9.080 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.064 4.566 -10.228 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.600 7.132 -11.119 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.765 5.617 -10.703 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.334 7.128 -9.868 1.00 0.00 H new ATOM 1165 N GLU A 77 5.309 6.269 -7.966 1.00 0.00 N ATOM 1166 CA GLU A 77 4.194 7.028 -7.411 1.00 0.00 C ATOM 1167 C GLU A 77 3.792 6.482 -6.043 1.00 0.00 C ATOM 1168 O GLU A 77 3.591 7.240 -5.094 1.00 0.00 O ATOM 1169 CB GLU A 77 2.996 6.986 -8.361 1.00 0.00 C ATOM 1170 CG GLU A 77 3.162 7.863 -9.590 1.00 0.00 C ATOM 1171 CD GLU A 77 1.835 8.273 -10.199 1.00 0.00 C ATOM 1172 OE1 GLU A 77 1.204 9.211 -9.667 1.00 0.00 O ATOM 1173 OE2 GLU A 77 1.428 7.657 -11.205 1.00 0.00 O ATOM 0 H GLU A 77 5.079 5.731 -8.801 1.00 0.00 H new ATOM 0 HA GLU A 77 4.516 8.062 -7.290 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.832 5.957 -8.679 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.103 7.299 -7.820 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.725 8.757 -9.321 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.750 7.329 -10.336 1.00 0.00 H new ATOM 1180 N VAL A 78 3.676 5.161 -5.951 1.00 0.00 N ATOM 1181 CA VAL A 78 3.299 4.512 -4.701 1.00 0.00 C ATOM 1182 C VAL A 78 4.531 4.089 -3.908 1.00 0.00 C ATOM 1183 O VAL A 78 5.392 3.372 -4.416 1.00 0.00 O ATOM 1184 CB VAL A 78 2.415 3.276 -4.954 1.00 0.00 C ATOM 1185 CG1 VAL A 78 1.992 2.644 -3.637 1.00 0.00 C ATOM 1186 CG2 VAL A 78 1.201 3.653 -5.789 1.00 0.00 C ATOM 0 H VAL A 78 3.838 4.519 -6.727 1.00 0.00 H new ATOM 0 HA VAL A 78 2.732 5.242 -4.124 1.00 0.00 H new ATOM 0 HB VAL A 78 2.997 2.541 -5.511 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.368 1.772 -3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.877 2.337 -3.080 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.427 3.369 -3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.587 2.768 -5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.615 4.405 -5.261 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.529 4.056 -6.747 1.00 0.00 H new ATOM 1196 N ASP A 79 4.607 4.537 -2.660 1.00 0.00 N ATOM 1197 CA ASP A 79 5.732 4.204 -1.795 1.00 0.00 C ATOM 1198 C ASP A 79 5.603 2.782 -1.258 1.00 0.00 C ATOM 1199 O ASP A 79 4.499 2.251 -1.137 1.00 0.00 O ATOM 1200 CB ASP A 79 5.821 5.194 -0.633 1.00 0.00 C ATOM 1201 CG ASP A 79 7.242 5.376 -0.135 1.00 0.00 C ATOM 1202 OD1 ASP A 79 7.694 4.548 0.683 1.00 0.00 O ATOM 1203 OD2 ASP A 79 7.901 6.347 -0.561 1.00 0.00 O ATOM 0 H ASP A 79 3.902 5.132 -2.225 1.00 0.00 H new ATOM 0 HA ASP A 79 6.644 4.268 -2.388 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.424 6.158 -0.950 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.194 4.845 0.187 1.00 0.00 H new ATOM 1208 N GLY A 80 6.739 2.169 -0.940 1.00 0.00 N ATOM 1209 CA GLY A 80 6.730 0.813 -0.421 1.00 0.00 C ATOM 1210 C GLY A 80 6.889 -0.226 -1.513 1.00 0.00 C ATOM 1211 O GLY A 80 7.554 -1.244 -1.320 1.00 0.00 O ATOM 0 H GLY A 80 7.665 2.587 -1.032 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.536 0.699 0.305 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.795 0.637 0.111 1.00 0.00 H new ATOM 1215 N PHE A 81 6.275 0.028 -2.664 1.00 0.00 N ATOM 1216 CA PHE A 81 6.349 -0.895 -3.790 1.00 0.00 C ATOM 1217 C PHE A 81 7.709 -1.584 -3.840 1.00 0.00 C ATOM 1218 O PHE A 81 7.795 -2.812 -3.846 1.00 0.00 O ATOM 1219 CB PHE A 81 6.092 -0.152 -5.103 1.00 0.00 C ATOM 1220 CG PHE A 81 6.162 -1.036 -6.315 1.00 0.00 C ATOM 1221 CD1 PHE A 81 5.065 -1.788 -6.705 1.00 0.00 C ATOM 1222 CD2 PHE A 81 7.324 -1.114 -7.066 1.00 0.00 C ATOM 1223 CE1 PHE A 81 5.127 -2.603 -7.819 1.00 0.00 C ATOM 1224 CE2 PHE A 81 7.392 -1.927 -8.182 1.00 0.00 C ATOM 1225 CZ PHE A 81 6.292 -2.671 -8.560 1.00 0.00 C ATOM 0 H PHE A 81 5.721 0.866 -2.841 1.00 0.00 H new ATOM 0 HA PHE A 81 5.581 -1.656 -3.655 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.108 0.315 -5.060 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.822 0.651 -5.206 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.151 -1.736 -6.132 1.00 0.00 H new ATOM 0 HD2 PHE A 81 8.187 -0.533 -6.776 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.266 -3.186 -8.111 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.304 -1.980 -8.757 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.342 -3.305 -9.433 1.00 0.00 H new ATOM 1235 N SER A 82 8.770 -0.784 -3.877 1.00 0.00 N ATOM 1236 CA SER A 82 10.127 -1.316 -3.931 1.00 0.00 C ATOM 1237 C SER A 82 10.354 -2.338 -2.822 1.00 0.00 C ATOM 1238 O SER A 82 10.976 -3.377 -3.039 1.00 0.00 O ATOM 1239 CB SER A 82 11.147 -0.182 -3.813 1.00 0.00 C ATOM 1240 OG SER A 82 10.886 0.622 -2.675 1.00 0.00 O ATOM 0 H SER A 82 8.716 0.235 -3.871 1.00 0.00 H new ATOM 0 HA SER A 82 10.258 -1.814 -4.892 1.00 0.00 H new ATOM 0 HB2 SER A 82 12.152 -0.598 -3.745 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.117 0.434 -4.712 1.00 0.00 H new ATOM 0 HG SER A 82 11.552 1.338 -2.621 1.00 0.00 H new ATOM 1246 N GLU A 83 9.844 -2.034 -1.632 1.00 0.00 N ATOM 1247 CA GLU A 83 9.993 -2.926 -0.488 1.00 0.00 C ATOM 1248 C GLU A 83 9.333 -4.275 -0.760 1.00 0.00 C ATOM 1249 O GLU A 83 9.889 -5.327 -0.439 1.00 0.00 O ATOM 1250 CB GLU A 83 9.383 -2.292 0.764 1.00 0.00 C ATOM 1251 CG GLU A 83 10.110 -1.041 1.228 1.00 0.00 C ATOM 1252 CD GLU A 83 9.714 -0.623 2.631 1.00 0.00 C ATOM 1253 OE1 GLU A 83 8.612 -0.056 2.792 1.00 0.00 O ATOM 1254 OE2 GLU A 83 10.504 -0.862 3.568 1.00 0.00 O ATOM 0 H GLU A 83 9.325 -1.178 -1.436 1.00 0.00 H new ATOM 0 HA GLU A 83 11.058 -3.088 -0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.341 -2.043 0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.387 -3.025 1.571 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.185 -1.217 1.195 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.899 -0.225 0.537 1.00 0.00 H new ATOM 1261 N LEU A 84 8.146 -4.237 -1.354 1.00 0.00 N ATOM 1262 CA LEU A 84 7.409 -5.456 -1.670 1.00 0.00 C ATOM 1263 C LEU A 84 8.328 -6.501 -2.295 1.00 0.00 C ATOM 1264 O LEU A 84 9.477 -6.212 -2.628 1.00 0.00 O ATOM 1265 CB LEU A 84 6.252 -5.144 -2.622 1.00 0.00 C ATOM 1266 CG LEU A 84 5.139 -4.260 -2.057 1.00 0.00 C ATOM 1267 CD1 LEU A 84 4.107 -3.951 -3.131 1.00 0.00 C ATOM 1268 CD2 LEU A 84 4.481 -4.930 -0.860 1.00 0.00 C ATOM 0 H LEU A 84 7.673 -3.376 -1.627 1.00 0.00 H new ATOM 0 HA LEU A 84 7.008 -5.860 -0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.659 -4.659 -3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.811 -6.086 -2.947 1.00 0.00 H new ATOM 0 HG LEU A 84 5.581 -3.321 -1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.323 -3.321 -2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.588 -3.429 -3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.670 -4.881 -3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.692 -4.287 -0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.053 -5.884 -1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.226 -5.100 -0.083 1.00 0.00 H new ATOM 1280 N ARG A 85 7.813 -7.716 -2.451 1.00 0.00 N ATOM 1281 CA ARG A 85 8.587 -8.804 -3.037 1.00 0.00 C ATOM 1282 C ARG A 85 8.400 -8.852 -4.550 1.00 0.00 C ATOM 1283 O ARG A 85 7.485 -8.232 -5.092 1.00 0.00 O ATOM 1284 CB ARG A 85 8.174 -10.142 -2.419 1.00 0.00 C ATOM 1285 CG ARG A 85 8.725 -10.362 -1.019 1.00 0.00 C ATOM 1286 CD ARG A 85 7.809 -9.768 0.039 1.00 0.00 C ATOM 1287 NE ARG A 85 8.163 -10.217 1.383 1.00 0.00 N ATOM 1288 CZ ARG A 85 9.062 -9.609 2.148 1.00 0.00 C ATOM 1289 NH1 ARG A 85 9.695 -8.532 1.704 1.00 0.00 N ATOM 1290 NH2 ARG A 85 9.330 -10.077 3.361 1.00 0.00 N ATOM 0 H ARG A 85 6.864 -7.972 -2.180 1.00 0.00 H new ATOM 0 HA ARG A 85 9.640 -8.622 -2.824 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.086 -10.196 -2.385 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.513 -10.951 -3.065 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.847 -11.430 -0.838 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.714 -9.911 -0.941 1.00 0.00 H new ATOM 0 HD2 ARG A 85 7.861 -8.680 -0.005 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.777 -10.047 -0.177 1.00 0.00 H new ATOM 0 HE ARG A 85 7.694 -11.043 1.754 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.492 -8.169 0.773 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.385 -8.067 2.294 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.845 -10.905 3.707 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.021 -9.609 3.947 1.00 0.00 H new ATOM 1304 N TRP A 86 9.273 -9.590 -5.226 1.00 0.00 N ATOM 1305 CA TRP A 86 9.204 -9.717 -6.677 1.00 0.00 C ATOM 1306 C TRP A 86 7.802 -10.120 -7.123 1.00 0.00 C ATOM 1307 O TRP A 86 7.220 -9.496 -8.010 1.00 0.00 O ATOM 1308 CB TRP A 86 10.223 -10.747 -7.168 1.00 0.00 C ATOM 1309 CG TRP A 86 10.158 -10.989 -8.646 1.00 0.00 C ATOM 1310 CD1 TRP A 86 10.865 -10.337 -9.615 1.00 0.00 C ATOM 1311 CD2 TRP A 86 9.340 -11.950 -9.322 1.00 0.00 C ATOM 1312 NE1 TRP A 86 10.536 -10.834 -10.853 1.00 0.00 N ATOM 1313 CE2 TRP A 86 9.603 -11.825 -10.700 1.00 0.00 C ATOM 1314 CE3 TRP A 86 8.412 -12.905 -8.897 1.00 0.00 C ATOM 1315 CZ2 TRP A 86 8.970 -12.619 -11.653 1.00 0.00 C ATOM 1316 CZ3 TRP A 86 7.785 -13.692 -9.844 1.00 0.00 C ATOM 1317 CH2 TRP A 86 8.066 -13.546 -11.208 1.00 0.00 C ATOM 0 H TRP A 86 10.037 -10.109 -4.793 1.00 0.00 H new ATOM 0 HA TRP A 86 9.439 -8.746 -7.113 1.00 0.00 H new ATOM 0 HB2 TRP A 86 11.226 -10.409 -6.906 1.00 0.00 H new ATOM 0 HB3 TRP A 86 10.058 -11.689 -6.645 1.00 0.00 H new ATOM 0 HD1 TRP A 86 11.578 -9.546 -9.435 1.00 0.00 H new ATOM 0 HE1 TRP A 86 10.924 -10.517 -11.741 1.00 0.00 H new ATOM 0 HE3 TRP A 86 8.189 -13.026 -7.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 9.185 -12.508 -12.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 7.066 -14.433 -9.527 1.00 0.00 H new ATOM 0 HH2 TRP A 86 7.560 -14.177 -11.923 1.00 0.00 H new ATOM 1328 N ASP A 87 7.266 -11.164 -6.502 1.00 0.00 N ATOM 1329 CA ASP A 87 5.931 -11.648 -6.834 1.00 0.00 C ATOM 1330 C ASP A 87 4.900 -10.532 -6.703 1.00 0.00 C ATOM 1331 O ASP A 87 4.276 -10.131 -7.686 1.00 0.00 O ATOM 1332 CB ASP A 87 5.550 -12.820 -5.927 1.00 0.00 C ATOM 1333 CG ASP A 87 4.492 -13.711 -6.547 1.00 0.00 C ATOM 1334 OD1 ASP A 87 3.328 -13.270 -6.646 1.00 0.00 O ATOM 1335 OD2 ASP A 87 4.828 -14.850 -6.934 1.00 0.00 O ATOM 0 H ASP A 87 7.735 -11.692 -5.766 1.00 0.00 H new ATOM 0 HA ASP A 87 5.942 -11.988 -7.869 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.439 -13.413 -5.711 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.184 -12.435 -4.975 1.00 0.00 H new ATOM 1340 N ASP A 88 4.725 -10.035 -5.484 1.00 0.00 N ATOM 1341 CA ASP A 88 3.770 -8.964 -5.224 1.00 0.00 C ATOM 1342 C ASP A 88 3.973 -7.806 -6.196 1.00 0.00 C ATOM 1343 O ASP A 88 3.049 -7.408 -6.904 1.00 0.00 O ATOM 1344 CB ASP A 88 3.907 -8.467 -3.784 1.00 0.00 C ATOM 1345 CG ASP A 88 3.241 -9.395 -2.786 1.00 0.00 C ATOM 1346 OD1 ASP A 88 3.839 -10.441 -2.459 1.00 0.00 O ATOM 1347 OD2 ASP A 88 2.123 -9.074 -2.332 1.00 0.00 O ATOM 0 H ASP A 88 5.232 -10.357 -4.660 1.00 0.00 H new ATOM 0 HA ASP A 88 2.766 -9.364 -5.368 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.964 -8.369 -3.535 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.467 -7.473 -3.702 1.00 0.00 H new ATOM 1352 N GLN A 89 5.189 -7.270 -6.223 1.00 0.00 N ATOM 1353 CA GLN A 89 5.513 -6.156 -7.107 1.00 0.00 C ATOM 1354 C GLN A 89 4.868 -6.343 -8.477 1.00 0.00 C ATOM 1355 O GLN A 89 4.274 -5.415 -9.024 1.00 0.00 O ATOM 1356 CB GLN A 89 7.029 -6.021 -7.258 1.00 0.00 C ATOM 1357 CG GLN A 89 7.702 -5.354 -6.069 1.00 0.00 C ATOM 1358 CD GLN A 89 9.160 -5.032 -6.329 1.00 0.00 C ATOM 1359 OE1 GLN A 89 9.756 -5.528 -7.286 1.00 0.00 O ATOM 1360 NE2 GLN A 89 9.743 -4.196 -5.477 1.00 0.00 N ATOM 0 H GLN A 89 5.966 -7.589 -5.644 1.00 0.00 H new ATOM 0 HA GLN A 89 5.117 -5.244 -6.661 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.461 -7.011 -7.401 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.246 -5.446 -8.158 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.169 -4.435 -5.823 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.628 -6.008 -5.200 1.00 0.00 H new ATOM 0 HE21 GLN A 89 9.211 -3.809 -4.698 1.00 0.00 H new ATOM 0 HE22 GLN A 89 10.723 -3.941 -5.602 1.00 0.00 H new ATOM 1369 N GLN A 90 4.991 -7.549 -9.023 1.00 0.00 N ATOM 1370 CA GLN A 90 4.421 -7.856 -10.330 1.00 0.00 C ATOM 1371 C GLN A 90 2.900 -7.749 -10.298 1.00 0.00 C ATOM 1372 O GLN A 90 2.280 -7.277 -11.252 1.00 0.00 O ATOM 1373 CB GLN A 90 4.836 -9.260 -10.773 1.00 0.00 C ATOM 1374 CG GLN A 90 6.320 -9.388 -11.075 1.00 0.00 C ATOM 1375 CD GLN A 90 6.694 -8.807 -12.424 1.00 0.00 C ATOM 1376 OE1 GLN A 90 5.872 -8.754 -13.339 1.00 0.00 O ATOM 1377 NE2 GLN A 90 7.940 -8.367 -12.555 1.00 0.00 N ATOM 0 H GLN A 90 5.479 -8.328 -8.581 1.00 0.00 H new ATOM 0 HA GLN A 90 4.804 -7.129 -11.046 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.570 -9.972 -9.992 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.268 -9.535 -11.662 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.890 -8.883 -10.296 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.603 -10.440 -11.046 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.588 -8.430 -11.770 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.249 -7.966 -13.440 1.00 0.00 H new ATOM 1386 N LYS A 91 2.303 -8.191 -9.197 1.00 0.00 N ATOM 1387 CA LYS A 91 0.854 -8.145 -9.040 1.00 0.00 C ATOM 1388 C LYS A 91 0.338 -6.715 -9.174 1.00 0.00 C ATOM 1389 O LYS A 91 -0.562 -6.442 -9.968 1.00 0.00 O ATOM 1390 CB LYS A 91 0.449 -8.719 -7.680 1.00 0.00 C ATOM 1391 CG LYS A 91 -1.038 -8.605 -7.390 1.00 0.00 C ATOM 1392 CD LYS A 91 -1.320 -8.656 -5.898 1.00 0.00 C ATOM 1393 CE LYS A 91 -1.144 -10.062 -5.345 1.00 0.00 C ATOM 1394 NZ LYS A 91 -0.871 -10.052 -3.881 1.00 0.00 N ATOM 0 H LYS A 91 2.801 -8.586 -8.399 1.00 0.00 H new ATOM 0 HA LYS A 91 0.408 -8.750 -9.830 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.740 -9.769 -7.637 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.004 -8.202 -6.897 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.419 -7.671 -7.802 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.570 -9.414 -7.890 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.650 -7.972 -5.377 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.337 -8.313 -5.707 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.043 -10.645 -5.543 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.323 -10.556 -5.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.757 -11.029 -3.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.001 -9.517 -3.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.666 -9.603 -3.383 1.00 0.00 H new ATOM 1408 N VAL A 92 0.914 -5.807 -8.393 1.00 0.00 N ATOM 1409 CA VAL A 92 0.514 -4.405 -8.427 1.00 0.00 C ATOM 1410 C VAL A 92 0.766 -3.795 -9.801 1.00 0.00 C ATOM 1411 O VAL A 92 -0.033 -2.999 -10.296 1.00 0.00 O ATOM 1412 CB VAL A 92 1.266 -3.581 -7.365 1.00 0.00 C ATOM 1413 CG1 VAL A 92 0.878 -2.113 -7.456 1.00 0.00 C ATOM 1414 CG2 VAL A 92 0.990 -4.129 -5.973 1.00 0.00 C ATOM 0 H VAL A 92 1.659 -6.017 -7.729 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.554 -4.375 -8.210 1.00 0.00 H new ATOM 0 HB VAL A 92 2.336 -3.662 -7.557 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.419 -1.546 -6.698 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.131 -1.730 -8.445 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.194 -2.009 -7.290 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.529 -3.535 -5.235 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.079 -4.079 -5.768 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.322 -5.166 -5.918 1.00 0.00 H new ATOM 1424 N LYS A 93 1.883 -4.172 -10.414 1.00 0.00 N ATOM 1425 CA LYS A 93 2.242 -3.664 -11.733 1.00 0.00 C ATOM 1426 C LYS A 93 1.039 -3.687 -12.670 1.00 0.00 C ATOM 1427 O LYS A 93 0.529 -2.639 -13.069 1.00 0.00 O ATOM 1428 CB LYS A 93 3.382 -4.493 -12.329 1.00 0.00 C ATOM 1429 CG LYS A 93 4.731 -4.223 -11.685 1.00 0.00 C ATOM 1430 CD LYS A 93 5.458 -3.081 -12.374 1.00 0.00 C ATOM 1431 CE LYS A 93 6.287 -3.576 -13.549 1.00 0.00 C ATOM 1432 NZ LYS A 93 5.431 -3.992 -14.695 1.00 0.00 N ATOM 0 H LYS A 93 2.556 -4.828 -10.018 1.00 0.00 H new ATOM 0 HA LYS A 93 2.573 -2.632 -11.620 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.144 -5.551 -12.224 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.451 -4.286 -13.397 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.591 -3.983 -10.631 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.343 -5.124 -11.728 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.734 -2.345 -12.723 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.106 -2.576 -11.658 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.967 -2.788 -13.871 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.902 -4.418 -13.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.005 -4.030 -15.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.029 -4.932 -14.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.660 -3.305 -14.820 1.00 0.00 H new ATOM 1446 N LYS A 94 0.588 -4.888 -13.018 1.00 0.00 N ATOM 1447 CA LYS A 94 -0.557 -5.048 -13.906 1.00 0.00 C ATOM 1448 C LYS A 94 -1.826 -4.498 -13.263 1.00 0.00 C ATOM 1449 O LYS A 94 -2.508 -3.648 -13.837 1.00 0.00 O ATOM 1450 CB LYS A 94 -0.751 -6.524 -14.261 1.00 0.00 C ATOM 1451 CG LYS A 94 -0.828 -7.436 -13.049 1.00 0.00 C ATOM 1452 CD LYS A 94 -0.372 -8.846 -13.383 1.00 0.00 C ATOM 1453 CE LYS A 94 0.171 -9.561 -12.155 1.00 0.00 C ATOM 1454 NZ LYS A 94 0.717 -10.905 -12.492 1.00 0.00 N ATOM 0 H LYS A 94 0.999 -5.765 -12.698 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.359 -4.484 -14.818 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.665 -6.631 -14.845 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.073 -6.847 -14.897 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.208 -7.032 -12.249 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.852 -7.462 -12.677 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.207 -9.412 -13.795 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.398 -8.808 -14.153 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.954 -8.955 -11.698 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.623 -9.666 -11.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.077 -11.360 -11.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.036 -11.492 -12.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.492 -10.803 -13.178 1.00 0.00 H new ATOM 1468 N THR A 95 -2.138 -4.987 -12.066 1.00 0.00 N ATOM 1469 CA THR A 95 -3.324 -4.544 -11.345 1.00 0.00 C ATOM 1470 C THR A 95 -3.538 -3.044 -11.506 1.00 0.00 C ATOM 1471 O THR A 95 -4.652 -2.590 -11.766 1.00 0.00 O ATOM 1472 CB THR A 95 -3.227 -4.879 -9.845 1.00 0.00 C ATOM 1473 OG1 THR A 95 -3.028 -6.286 -9.669 1.00 0.00 O ATOM 1474 CG2 THR A 95 -4.487 -4.445 -9.111 1.00 0.00 C ATOM 0 H THR A 95 -1.585 -5.690 -11.576 1.00 0.00 H new ATOM 0 HA THR A 95 -4.172 -5.077 -11.775 1.00 0.00 H new ATOM 0 HB THR A 95 -2.378 -4.337 -9.429 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.093 -6.457 -9.431 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.395 -4.692 -8.053 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.620 -3.369 -9.222 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.349 -4.963 -9.531 1.00 0.00 H new ATOM 1482 N ALA A 96 -2.463 -2.278 -11.350 1.00 0.00 N ATOM 1483 CA ALA A 96 -2.533 -0.828 -11.481 1.00 0.00 C ATOM 1484 C ALA A 96 -2.734 -0.417 -12.936 1.00 0.00 C ATOM 1485 O ALA A 96 -3.551 0.452 -13.237 1.00 0.00 O ATOM 1486 CB ALA A 96 -1.273 -0.186 -10.919 1.00 0.00 C ATOM 0 H ALA A 96 -1.534 -2.638 -11.133 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.393 -0.478 -10.910 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.339 0.897 -11.023 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.173 -0.444 -9.865 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.404 -0.551 -11.466 1.00 0.00 H new ATOM 1492 N GLU A 97 -1.983 -1.048 -13.834 1.00 0.00 N ATOM 1493 CA GLU A 97 -2.079 -0.745 -15.257 1.00 0.00 C ATOM 1494 C GLU A 97 -3.536 -0.726 -15.712 1.00 0.00 C ATOM 1495 O GLU A 97 -3.962 0.180 -16.427 1.00 0.00 O ATOM 1496 CB GLU A 97 -1.292 -1.772 -16.074 1.00 0.00 C ATOM 1497 CG GLU A 97 0.202 -1.498 -16.118 1.00 0.00 C ATOM 1498 CD GLU A 97 1.017 -2.750 -16.380 1.00 0.00 C ATOM 1499 OE1 GLU A 97 0.793 -3.397 -17.425 1.00 0.00 O ATOM 1500 OE2 GLU A 97 1.879 -3.083 -15.540 1.00 0.00 O ATOM 0 H GLU A 97 -1.302 -1.771 -13.601 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.652 0.244 -15.421 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.459 -2.764 -15.653 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.680 -1.788 -17.092 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.410 -0.764 -16.896 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.515 -1.057 -15.172 1.00 0.00 H new ATOM 1507 N ALA A 98 -4.294 -1.734 -15.292 1.00 0.00 N ATOM 1508 CA ALA A 98 -5.702 -1.833 -15.655 1.00 0.00 C ATOM 1509 C ALA A 98 -6.504 -0.679 -15.062 1.00 0.00 C ATOM 1510 O ALA A 98 -7.346 -0.085 -15.734 1.00 0.00 O ATOM 1511 CB ALA A 98 -6.273 -3.166 -15.195 1.00 0.00 C ATOM 0 H ALA A 98 -3.956 -2.493 -14.700 1.00 0.00 H new ATOM 0 HA ALA A 98 -5.777 -1.773 -16.741 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.325 -3.226 -15.473 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.725 -3.980 -15.670 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.178 -3.248 -14.112 1.00 0.00 H new ATOM 1517 N GLY A 99 -6.237 -0.366 -13.797 1.00 0.00 N ATOM 1518 CA GLY A 99 -6.942 0.715 -13.136 1.00 0.00 C ATOM 1519 C GLY A 99 -8.285 0.279 -12.583 1.00 0.00 C ATOM 1520 O GLY A 99 -9.308 0.907 -12.852 1.00 0.00 O ATOM 0 H GLY A 99 -5.545 -0.843 -13.219 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.327 1.103 -12.324 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.091 1.532 -13.842 1.00 0.00 H new ATOM 1524 N GLY A 100 -8.282 -0.802 -11.810 1.00 0.00 N ATOM 1525 CA GLY A 100 -9.515 -1.305 -11.232 1.00 0.00 C ATOM 1526 C GLY A 100 -10.499 -1.776 -12.285 1.00 0.00 C ATOM 1527 O GLY A 100 -10.811 -1.044 -13.224 1.00 0.00 O ATOM 0 H GLY A 100 -7.448 -1.339 -11.573 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.286 -2.130 -10.558 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.977 -0.522 -10.632 1.00 0.00 H new ATOM 1531 N SER A 101 -10.987 -3.002 -12.129 1.00 0.00 N ATOM 1532 CA SER A 101 -11.937 -3.572 -13.078 1.00 0.00 C ATOM 1533 C SER A 101 -13.320 -2.954 -12.899 1.00 0.00 C ATOM 1534 O SER A 101 -13.596 -2.302 -11.893 1.00 0.00 O ATOM 1535 CB SER A 101 -12.018 -5.090 -12.901 1.00 0.00 C ATOM 1536 OG SER A 101 -10.799 -5.712 -13.270 1.00 0.00 O ATOM 0 H SER A 101 -10.741 -3.620 -11.355 1.00 0.00 H new ATOM 0 HA SER A 101 -11.585 -3.349 -14.085 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.251 -5.326 -11.863 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.831 -5.487 -13.508 1.00 0.00 H new ATOM 0 HG SER A 101 -10.876 -6.681 -13.146 1.00 0.00 H new ATOM 1542 N GLY A 102 -14.187 -3.164 -13.885 1.00 0.00 N ATOM 1543 CA GLY A 102 -15.531 -2.621 -13.819 1.00 0.00 C ATOM 1544 C GLY A 102 -16.294 -3.107 -12.603 1.00 0.00 C ATOM 1545 O GLY A 102 -15.820 -3.953 -11.844 1.00 0.00 O ATOM 0 H GLY A 102 -13.982 -3.700 -14.728 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.479 -1.532 -13.800 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -16.076 -2.899 -14.721 1.00 0.00 H new ATOM 1549 N PRO A 103 -17.505 -2.566 -12.404 1.00 0.00 N ATOM 1550 CA PRO A 103 -18.360 -2.935 -11.272 1.00 0.00 C ATOM 1551 C PRO A 103 -18.907 -4.353 -11.396 1.00 0.00 C ATOM 1552 O PRO A 103 -19.711 -4.643 -12.282 1.00 0.00 O ATOM 1553 CB PRO A 103 -19.499 -1.915 -11.341 1.00 0.00 C ATOM 1554 CG PRO A 103 -19.551 -1.500 -12.771 1.00 0.00 C ATOM 1555 CD PRO A 103 -18.133 -1.553 -13.268 1.00 0.00 C ATOM 0 HA PRO A 103 -17.814 -2.923 -10.328 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -20.444 -2.355 -11.022 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -19.307 -1.063 -10.688 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -20.192 -2.167 -13.348 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -19.963 -0.496 -12.871 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -18.086 -1.837 -14.319 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -17.639 -0.586 -13.177 1.00 0.00 H new ATOM 1563 N SER A 104 -18.466 -5.232 -10.502 1.00 0.00 N ATOM 1564 CA SER A 104 -18.909 -6.622 -10.514 1.00 0.00 C ATOM 1565 C SER A 104 -20.190 -6.790 -9.704 1.00 0.00 C ATOM 1566 O SER A 104 -21.162 -7.381 -10.175 1.00 0.00 O ATOM 1567 CB SER A 104 -17.814 -7.533 -9.955 1.00 0.00 C ATOM 1568 OG SER A 104 -16.785 -7.737 -10.907 1.00 0.00 O ATOM 0 H SER A 104 -17.803 -5.007 -9.761 1.00 0.00 H new ATOM 0 HA SER A 104 -19.114 -6.904 -11.547 1.00 0.00 H new ATOM 0 HB2 SER A 104 -17.395 -7.091 -9.051 1.00 0.00 H new ATOM 0 HB3 SER A 104 -18.245 -8.493 -9.670 1.00 0.00 H new ATOM 0 HG SER A 104 -16.097 -8.321 -10.525 1.00 0.00 H new ATOM 1574 N SER A 105 -20.183 -6.267 -8.482 1.00 0.00 N ATOM 1575 CA SER A 105 -21.343 -6.362 -7.603 1.00 0.00 C ATOM 1576 C SER A 105 -21.663 -7.819 -7.282 1.00 0.00 C ATOM 1577 O SER A 105 -22.824 -8.228 -7.292 1.00 0.00 O ATOM 1578 CB SER A 105 -22.556 -5.692 -8.250 1.00 0.00 C ATOM 1579 OG SER A 105 -22.335 -4.304 -8.432 1.00 0.00 O ATOM 0 H SER A 105 -19.387 -5.773 -8.078 1.00 0.00 H new ATOM 0 HA SER A 105 -21.106 -5.846 -6.672 1.00 0.00 H new ATOM 0 HB2 SER A 105 -22.763 -6.160 -9.212 1.00 0.00 H new ATOM 0 HB3 SER A 105 -23.436 -5.845 -7.625 1.00 0.00 H new ATOM 0 HG SER A 105 -23.124 -3.899 -8.849 1.00 0.00 H new ATOM 1585 N GLY A 106 -20.624 -8.599 -6.998 1.00 0.00 N ATOM 1586 CA GLY A 106 -20.815 -10.001 -6.679 1.00 0.00 C ATOM 1587 C GLY A 106 -19.638 -10.589 -5.925 1.00 0.00 C ATOM 1588 O GLY A 106 -19.511 -11.808 -5.813 1.00 0.00 O ATOM 0 H GLY A 106 -19.654 -8.284 -6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -21.719 -10.115 -6.081 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -20.970 -10.562 -7.600 1.00 0.00 H new TER 1592 GLY A 106 HETATM 1593 ZN ZN A 200 -12.659 -2.550 1.819 1.00 0.00 ZN