USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 814 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 Set 1.1: A 91 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 102 ASN : amide:sc= -0.371 K(o=-9.6,f=-10!) USER MOD Set 1.3: A 104 HIS : no HE2:sc= -9.19! C(o=-9.6!,f=-9.5!) USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= 0.486 USER MOD Set 2.2: A 96 MET CE :methyl -143:sc= -2.53! (180deg=-3.84!) USER MOD Single : A 1 ASP N :NH3+ -124:sc= 0.424 (180deg=-0.569) USER MOD Single : A 2 LYS NZ :NH3+ -128:sc= -0.163 (180deg=-0.998) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.183 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0283 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -156:sc= -0.206 (180deg=-1.56!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.862 K(o=-0.86,f=-0.0074) USER MOD Single : A 26 THR OG1 : rot 150:sc= -0.404 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 36 SER OG : rot 180:sc= 0.065 USER MOD Single : A 37 TYR OH : rot 160:sc= 0.917 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0.159 USER MOD Single : A 45 LYS NZ :NH3+ -136:sc= -3.32! (180deg=-6.53!) USER MOD Single : A 50 SER OG : rot -84:sc= 0.521 USER MOD Single : A 53 SER OG : rot 65:sc= 1.37 USER MOD Single : A 55 ASN : amide:sc= -2.36 K(o=-2.4,f=-5.8!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.09 USER MOD Single : A 67 ASN : amide:sc= -1.65 K(o=-1.6,f=-0.16) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0249 USER MOD Single : A 76 ASN : amide:sc= -0.585 X(o=-0.58,f=-0.98) USER MOD Single : A 77 SER OG : rot 62:sc= -0.0823 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -147:sc= -0.965 (180deg=-3.03!) USER MOD Single : A 90 SER OG : rot -79:sc= -0.101 USER MOD Single : A 99 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.657) USER MOD Single : A 100 GLN : amide:sc= -7.2! C(o=-7.2!,f=-4!) USER MOD Single : A 103 HIS : no HE2:sc= -3.41 K(o=-3.4,f=-18!) USER MOD Single : A 106 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-0.43) USER MOD Single : A 107 LYS NZ :NH3+ -149:sc= -0.147 (180deg=-0.489) USER MOD Single : A 110 SER OG : rot 180:sc= 0.0256 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 3.392 -6.262 21.029 1.00 50.00 N ATOM 2 CA ASP A 1 4.605 -5.623 20.442 1.00 50.00 C ATOM 3 C ASP A 1 4.333 -4.147 20.144 1.00 50.00 C ATOM 4 O ASP A 1 3.219 -3.676 20.256 1.00 50.00 O ATOM 5 CB ASP A 1 4.871 -6.392 19.147 1.00 50.00 C ATOM 6 CG ASP A 1 3.634 -6.323 18.248 1.00 50.00 C ATOM 7 OD1 ASP A 1 2.747 -7.139 18.433 1.00 50.00 O ATOM 8 OD2 ASP A 1 3.597 -5.455 17.392 1.00 50.00 O ATOM 0 H1 ASP A 1 3.634 -6.690 21.945 1.00 50.00 H new ATOM 0 H2 ASP A 1 2.653 -5.543 21.167 1.00 50.00 H new ATOM 0 H3 ASP A 1 3.042 -6.999 20.384 1.00 50.00 H new ATOM 0 HA ASP A 1 5.459 -5.658 21.119 1.00 50.00 H new ATOM 0 HB2 ASP A 1 5.733 -5.969 18.631 1.00 50.00 H new ATOM 0 HB3 ASP A 1 5.113 -7.431 19.372 1.00 50.00 H new ATOM 15 N LYS A 2 5.344 -3.413 19.764 1.00 50.00 N ATOM 16 CA LYS A 2 5.142 -1.967 19.458 1.00 50.00 C ATOM 17 C LYS A 2 5.900 -1.587 18.183 1.00 50.00 C ATOM 18 O LYS A 2 6.870 -2.220 17.814 1.00 50.00 O ATOM 19 CB LYS A 2 5.713 -1.222 20.665 1.00 50.00 C ATOM 20 CG LYS A 2 5.199 0.218 20.665 1.00 50.00 C ATOM 21 CD LYS A 2 4.325 0.451 21.899 1.00 50.00 C ATOM 22 CE LYS A 2 2.862 0.173 21.546 1.00 50.00 C ATOM 23 NZ LYS A 2 2.462 1.299 20.656 1.00 50.00 N ATOM 0 H LYS A 2 6.300 -3.751 19.652 1.00 50.00 H new ATOM 0 HA LYS A 2 4.093 -1.723 19.289 1.00 50.00 H new ATOM 0 HB2 LYS A 2 5.420 -1.724 21.587 1.00 50.00 H new ATOM 0 HB3 LYS A 2 6.802 -1.231 20.629 1.00 50.00 H new ATOM 0 HG2 LYS A 2 6.038 0.914 20.664 1.00 50.00 H new ATOM 0 HG3 LYS A 2 4.625 0.410 19.759 1.00 50.00 H new ATOM 0 HD2 LYS A 2 4.644 -0.200 22.713 1.00 50.00 H new ATOM 0 HD3 LYS A 2 4.437 1.477 22.249 1.00 50.00 H new ATOM 0 HE2 LYS A 2 2.753 -0.787 21.042 1.00 50.00 H new ATOM 0 HE3 LYS A 2 2.240 0.136 22.440 1.00 50.00 H new ATOM 0 HZ1 LYS A 2 1.589 1.734 21.017 1.00 50.00 H new ATOM 0 HZ2 LYS A 2 3.220 2.011 20.635 1.00 50.00 H new ATOM 0 HZ3 LYS A 2 2.298 0.940 19.694 1.00 50.00 H new ATOM 37 N LEU A 3 5.466 -0.560 17.507 1.00 50.00 N ATOM 38 CA LEU A 3 6.164 -0.143 16.256 1.00 50.00 C ATOM 39 C LEU A 3 7.262 0.875 16.575 1.00 50.00 C ATOM 40 O LEU A 3 7.154 1.648 17.506 1.00 50.00 O ATOM 41 CB LEU A 3 5.078 0.494 15.389 1.00 50.00 C ATOM 42 CG LEU A 3 5.093 -0.147 14.001 1.00 50.00 C ATOM 43 CD1 LEU A 3 6.429 0.147 13.317 1.00 50.00 C ATOM 44 CD2 LEU A 3 4.914 -1.660 14.138 1.00 50.00 C ATOM 0 H LEU A 3 4.660 0.009 17.765 1.00 50.00 H new ATOM 0 HA LEU A 3 6.646 -0.982 15.754 1.00 50.00 H new ATOM 0 HB2 LEU A 3 4.101 0.359 15.853 1.00 50.00 H new ATOM 0 HB3 LEU A 3 5.246 1.568 15.307 1.00 50.00 H new ATOM 0 HG LEU A 3 4.280 0.264 13.402 1.00 50.00 H new ATOM 0 HD11 LEU A 3 6.440 -0.310 12.328 1.00 50.00 H new ATOM 0 HD12 LEU A 3 6.559 1.225 13.220 1.00 50.00 H new ATOM 0 HD13 LEU A 3 7.242 -0.264 13.915 1.00 50.00 H new ATOM 0 HD21 LEU A 3 4.924 -2.119 13.149 1.00 50.00 H new ATOM 0 HD22 LEU A 3 5.727 -2.070 14.737 1.00 50.00 H new ATOM 0 HD23 LEU A 3 3.962 -1.871 14.626 1.00 50.00 H new ATOM 56 N ALA A 4 8.318 0.880 15.808 1.00 50.00 N ATOM 57 CA ALA A 4 9.422 1.849 16.068 1.00 50.00 C ATOM 58 C ALA A 4 9.084 3.211 15.457 1.00 50.00 C ATOM 59 O ALA A 4 9.363 3.472 14.304 1.00 50.00 O ATOM 60 CB ALA A 4 10.648 1.244 15.384 1.00 50.00 C ATOM 0 H ALA A 4 8.465 0.257 15.014 1.00 50.00 H new ATOM 0 HA ALA A 4 9.588 2.011 17.133 1.00 50.00 H new ATOM 0 HB1 ALA A 4 11.506 1.900 15.530 1.00 50.00 H new ATOM 0 HB2 ALA A 4 10.861 0.266 15.817 1.00 50.00 H new ATOM 0 HB3 ALA A 4 10.452 1.134 14.317 1.00 50.00 H new ATOM 66 N LEU A 5 8.487 4.082 16.223 1.00 50.00 N ATOM 67 CA LEU A 5 8.133 5.426 15.686 1.00 50.00 C ATOM 68 C LEU A 5 8.996 6.502 16.350 1.00 50.00 C ATOM 69 O LEU A 5 9.434 6.355 17.473 1.00 50.00 O ATOM 70 CB LEU A 5 6.660 5.624 16.046 1.00 50.00 C ATOM 71 CG LEU A 5 6.042 6.663 15.110 1.00 50.00 C ATOM 72 CD1 LEU A 5 5.104 5.968 14.121 1.00 50.00 C ATOM 73 CD2 LEU A 5 5.252 7.683 15.933 1.00 50.00 C ATOM 0 H LEU A 5 8.229 3.921 17.197 1.00 50.00 H new ATOM 0 HA LEU A 5 8.302 5.499 14.612 1.00 50.00 H new ATOM 0 HB2 LEU A 5 6.124 4.679 15.962 1.00 50.00 H new ATOM 0 HB3 LEU A 5 6.568 5.952 17.082 1.00 50.00 H new ATOM 0 HG LEU A 5 6.833 7.173 14.560 1.00 50.00 H new ATOM 0 HD11 LEU A 5 4.664 6.710 13.454 1.00 50.00 H new ATOM 0 HD12 LEU A 5 5.667 5.242 13.535 1.00 50.00 H new ATOM 0 HD13 LEU A 5 4.312 5.457 14.668 1.00 50.00 H new ATOM 0 HD21 LEU A 5 4.811 8.425 15.267 1.00 50.00 H new ATOM 0 HD22 LEU A 5 4.461 7.173 16.483 1.00 50.00 H new ATOM 0 HD23 LEU A 5 5.921 8.179 16.636 1.00 50.00 H new ATOM 85 N LYS A 6 9.242 7.584 15.664 1.00 50.00 N ATOM 86 CA LYS A 6 10.076 8.667 16.257 1.00 50.00 C ATOM 87 C LYS A 6 9.296 9.985 16.266 1.00 50.00 C ATOM 88 O LYS A 6 8.141 10.036 15.893 1.00 50.00 O ATOM 89 CB LYS A 6 11.298 8.774 15.345 1.00 50.00 C ATOM 90 CG LYS A 6 12.540 9.073 16.189 1.00 50.00 C ATOM 91 CD LYS A 6 13.644 8.073 15.843 1.00 50.00 C ATOM 92 CE LYS A 6 14.122 7.377 17.119 1.00 50.00 C ATOM 93 NZ LYS A 6 15.508 6.930 16.815 1.00 50.00 N ATOM 0 H LYS A 6 8.902 7.765 14.720 1.00 50.00 H new ATOM 0 HA LYS A 6 10.357 8.454 17.288 1.00 50.00 H new ATOM 0 HB2 LYS A 6 11.436 7.844 14.793 1.00 50.00 H new ATOM 0 HB3 LYS A 6 11.147 9.563 14.608 1.00 50.00 H new ATOM 0 HG2 LYS A 6 12.884 10.090 16.001 1.00 50.00 H new ATOM 0 HG3 LYS A 6 12.296 9.009 17.249 1.00 50.00 H new ATOM 0 HD2 LYS A 6 13.271 7.336 15.132 1.00 50.00 H new ATOM 0 HD3 LYS A 6 14.477 8.587 15.363 1.00 50.00 H new ATOM 0 HE2 LYS A 6 14.104 8.057 17.970 1.00 50.00 H new ATOM 0 HE3 LYS A 6 13.481 6.532 17.372 1.00 50.00 H new ATOM 0 HZ1 LYS A 6 15.905 6.443 17.643 1.00 50.00 H new ATOM 0 HZ2 LYS A 6 15.493 6.279 16.004 1.00 50.00 H new ATOM 0 HZ3 LYS A 6 16.096 7.756 16.584 1.00 50.00 H new ATOM 107 N GLY A 7 9.919 11.050 16.689 1.00 50.00 N ATOM 108 CA GLY A 7 9.211 12.360 16.719 1.00 50.00 C ATOM 109 C GLY A 7 9.471 13.112 15.411 1.00 50.00 C ATOM 110 O GLY A 7 9.722 14.300 15.407 1.00 50.00 O ATOM 0 H GLY A 7 10.885 11.070 17.014 1.00 50.00 H new ATOM 0 HA2 GLY A 7 8.141 12.204 16.854 1.00 50.00 H new ATOM 0 HA3 GLY A 7 9.556 12.953 17.566 1.00 50.00 H new ATOM 114 N THR A 8 9.411 12.427 14.301 1.00 50.00 N ATOM 115 CA THR A 8 9.655 13.103 12.995 1.00 50.00 C ATOM 116 C THR A 8 8.724 14.309 12.841 1.00 50.00 C ATOM 117 O THR A 8 7.754 14.450 13.557 1.00 50.00 O ATOM 118 CB THR A 8 9.342 12.043 11.935 1.00 50.00 C ATOM 119 OG1 THR A 8 9.265 10.766 12.552 1.00 50.00 O ATOM 120 CG2 THR A 8 10.446 12.037 10.875 1.00 50.00 C ATOM 0 H THR A 8 9.204 11.430 14.242 1.00 50.00 H new ATOM 0 HA THR A 8 10.675 13.477 12.908 1.00 50.00 H new ATOM 0 HB THR A 8 8.388 12.274 11.460 1.00 50.00 H new ATOM 0 HG1 THR A 8 9.063 10.087 11.875 1.00 50.00 H new ATOM 0 HG21 THR A 8 10.222 11.282 10.121 1.00 50.00 H new ATOM 0 HG22 THR A 8 10.501 13.017 10.402 1.00 50.00 H new ATOM 0 HG23 THR A 8 11.402 11.807 11.346 1.00 50.00 H new ATOM 128 N THR A 9 9.013 15.177 11.912 1.00 50.00 N ATOM 129 CA THR A 9 8.144 16.373 11.712 1.00 50.00 C ATOM 130 C THR A 9 6.671 15.955 11.694 1.00 50.00 C ATOM 131 O THR A 9 6.340 14.826 11.390 1.00 50.00 O ATOM 132 CB THR A 9 8.557 16.942 10.354 1.00 50.00 C ATOM 133 OG1 THR A 9 8.855 15.873 9.466 1.00 50.00 O ATOM 134 CG2 THR A 9 9.794 17.826 10.523 1.00 50.00 C ATOM 0 H THR A 9 9.813 15.111 11.282 1.00 50.00 H new ATOM 0 HA THR A 9 8.258 17.106 12.511 1.00 50.00 H new ATOM 0 HB THR A 9 7.741 17.538 9.946 1.00 50.00 H new ATOM 0 HG1 THR A 9 9.118 16.235 8.594 1.00 50.00 H new ATOM 0 HG21 THR A 9 10.087 18.231 9.554 1.00 50.00 H new ATOM 0 HG22 THR A 9 9.565 18.645 11.204 1.00 50.00 H new ATOM 0 HG23 THR A 9 10.612 17.233 10.931 1.00 50.00 H new ATOM 142 N TYR A 10 5.784 16.856 12.018 1.00 50.00 N ATOM 143 CA TYR A 10 4.335 16.507 12.020 1.00 50.00 C ATOM 144 C TYR A 10 3.611 17.239 10.886 1.00 50.00 C ATOM 145 O TYR A 10 3.353 18.424 10.964 1.00 50.00 O ATOM 146 CB TYR A 10 3.818 16.978 13.379 1.00 50.00 C ATOM 147 CG TYR A 10 2.994 15.883 14.012 1.00 50.00 C ATOM 148 CD1 TYR A 10 1.743 15.552 13.480 1.00 50.00 C ATOM 149 CD2 TYR A 10 3.483 15.198 15.131 1.00 50.00 C ATOM 150 CE1 TYR A 10 0.979 14.537 14.068 1.00 50.00 C ATOM 151 CE2 TYR A 10 2.719 14.182 15.718 1.00 50.00 C ATOM 152 CZ TYR A 10 1.467 13.852 15.186 1.00 50.00 C ATOM 153 OH TYR A 10 0.714 12.852 15.766 1.00 49.57 O ATOM 0 H TYR A 10 6.000 17.818 12.281 1.00 50.00 H new ATOM 0 HA TYR A 10 4.167 15.441 11.866 1.00 50.00 H new ATOM 0 HB2 TYR A 10 4.654 17.239 14.027 1.00 50.00 H new ATOM 0 HB3 TYR A 10 3.215 17.878 13.258 1.00 50.00 H new ATOM 0 HD1 TYR A 10 1.367 16.079 12.616 1.00 50.00 H new ATOM 0 HD2 TYR A 10 4.449 15.453 15.541 1.00 50.00 H new ATOM 0 HE1 TYR A 10 0.013 14.283 13.658 1.00 50.00 H new ATOM 0 HE2 TYR A 10 3.096 13.653 16.581 1.00 50.00 H new ATOM 0 HH TYR A 10 1.200 12.479 16.531 1.00 49.57 H new ATOM 163 N GLY A 11 3.278 16.542 9.834 1.00 50.00 N ATOM 164 CA GLY A 11 2.569 17.197 8.699 1.00 50.00 C ATOM 165 C GLY A 11 1.066 16.937 8.817 1.00 50.00 C ATOM 166 O GLY A 11 0.641 15.941 9.367 1.00 50.00 O ATOM 0 H GLY A 11 3.466 15.547 9.712 1.00 50.00 H new ATOM 0 HA2 GLY A 11 2.765 18.269 8.704 1.00 50.00 H new ATOM 0 HA3 GLY A 11 2.942 16.810 7.751 1.00 50.00 H new ATOM 170 N MET A 12 0.259 17.827 8.309 1.00 50.00 N ATOM 171 CA MET A 12 -1.216 17.631 8.396 1.00 50.00 C ATOM 172 C MET A 12 -1.787 17.265 7.023 1.00 50.00 C ATOM 173 O MET A 12 -2.088 18.124 6.218 1.00 50.00 O ATOM 174 CB MET A 12 -1.758 18.982 8.861 1.00 50.00 C ATOM 175 CG MET A 12 -1.862 18.991 10.386 1.00 50.00 C ATOM 176 SD MET A 12 -3.266 20.016 10.891 1.00 50.00 S ATOM 177 CE MET A 12 -2.921 21.423 9.806 1.00 50.00 C ATOM 0 H MET A 12 0.557 18.681 7.838 1.00 50.00 H new ATOM 0 HA MET A 12 -1.489 16.822 9.074 1.00 50.00 H new ATOM 0 HB2 MET A 12 -1.101 19.784 8.526 1.00 50.00 H new ATOM 0 HB3 MET A 12 -2.737 19.165 8.418 1.00 50.00 H new ATOM 0 HG2 MET A 12 -1.988 17.974 10.758 1.00 50.00 H new ATOM 0 HG3 MET A 12 -0.941 19.378 10.821 1.00 50.00 H new ATOM 0 HE1 MET A 12 -3.374 22.323 10.222 1.00 50.00 H new ATOM 0 HE2 MET A 12 -1.843 21.563 9.724 1.00 50.00 H new ATOM 0 HE3 MET A 12 -3.338 21.231 8.817 1.00 50.00 H new ATOM 187 N CYS A 13 -1.948 15.998 6.752 1.00 99.99 N ATOM 188 CA CYS A 13 -2.507 15.584 5.433 1.00 99.99 C ATOM 189 C CYS A 13 -3.892 14.965 5.625 1.00 99.99 C ATOM 190 O CYS A 13 -4.423 14.937 6.718 1.00 99.99 O ATOM 191 CB CYS A 13 -1.532 14.542 4.887 1.00 99.99 C ATOM 192 SG CYS A 13 -1.211 14.872 3.137 1.00 99.99 S ATOM 0 H CYS A 13 -1.717 15.233 7.386 1.00 99.99 H new ATOM 0 HA CYS A 13 -2.619 16.428 4.752 1.00 99.99 H new ATOM 0 HB2 CYS A 13 -0.599 14.571 5.450 1.00 99.99 H new ATOM 0 HB3 CYS A 13 -1.947 13.541 5.009 1.00 99.99 H new ATOM 197 N THR A 14 -4.479 14.469 4.574 1.00 99.99 N ATOM 198 CA THR A 14 -5.829 13.854 4.701 1.00 99.99 C ATOM 199 C THR A 14 -6.086 12.893 3.539 1.00 99.99 C ATOM 200 O THR A 14 -6.023 11.688 3.683 1.00 99.99 O ATOM 201 CB THR A 14 -6.803 15.032 4.647 1.00 99.99 C ATOM 202 OG1 THR A 14 -6.481 15.860 3.539 1.00 99.99 O ATOM 203 CG2 THR A 14 -6.702 15.843 5.940 1.00 99.99 C ATOM 0 H THR A 14 -4.084 14.462 3.634 1.00 99.99 H new ATOM 0 HA THR A 14 -5.935 13.275 5.619 1.00 99.99 H new ATOM 0 HB THR A 14 -7.820 14.657 4.537 1.00 99.99 H new ATOM 0 HG1 THR A 14 -7.105 16.614 3.502 1.00 99.99 H new ATOM 0 HG21 THR A 14 -7.397 16.682 5.899 1.00 99.99 H new ATOM 0 HG22 THR A 14 -6.951 15.207 6.789 1.00 99.99 H new ATOM 0 HG23 THR A 14 -5.686 16.220 6.055 1.00 99.99 H new ATOM 211 N GLU A 15 -6.383 13.422 2.388 1.00 99.99 N ATOM 212 CA GLU A 15 -6.653 12.554 1.206 1.00 99.99 C ATOM 213 C GLU A 15 -5.636 12.836 0.094 1.00 99.99 C ATOM 214 O GLU A 15 -5.765 12.360 -1.016 1.00 99.99 O ATOM 215 CB GLU A 15 -8.060 12.949 0.760 1.00 99.99 C ATOM 216 CG GLU A 15 -8.293 12.500 -0.684 1.00 99.99 C ATOM 217 CD GLU A 15 -9.796 12.400 -0.953 1.00 99.99 C ATOM 218 OE1 GLU A 15 -10.560 12.695 -0.048 1.00 99.99 O ATOM 219 OE2 GLU A 15 -10.158 12.031 -2.058 1.00 99.99 O ATOM 0 H GLU A 15 -6.451 14.424 2.212 1.00 99.99 H new ATOM 0 HA GLU A 15 -6.574 11.492 1.439 1.00 99.99 H new ATOM 0 HB2 GLU A 15 -8.801 12.492 1.416 1.00 99.99 H new ATOM 0 HB3 GLU A 15 -8.187 14.029 0.839 1.00 99.99 H new ATOM 0 HG2 GLU A 15 -7.836 13.209 -1.374 1.00 99.99 H new ATOM 0 HG3 GLU A 15 -7.817 11.535 -0.857 1.00 99.99 H new ATOM 226 N LYS A 16 -4.633 13.616 0.385 1.00 50.00 N ATOM 227 CA LYS A 16 -3.610 13.944 -0.654 1.00 50.00 C ATOM 228 C LYS A 16 -2.988 12.668 -1.236 1.00 50.00 C ATOM 229 O LYS A 16 -1.914 12.256 -0.845 1.00 50.00 O ATOM 230 CB LYS A 16 -2.553 14.765 0.085 1.00 50.00 C ATOM 231 CG LYS A 16 -2.517 16.183 -0.486 1.00 50.00 C ATOM 232 CD LYS A 16 -2.545 17.195 0.660 1.00 50.00 C ATOM 233 CE LYS A 16 -3.166 18.506 0.171 1.00 50.00 C ATOM 234 NZ LYS A 16 -2.803 19.513 1.206 1.00 50.00 N ATOM 0 H LYS A 16 -4.475 14.042 1.298 1.00 50.00 H new ATOM 0 HA LYS A 16 -4.044 14.485 -1.495 1.00 50.00 H new ATOM 0 HB2 LYS A 16 -2.781 14.796 1.150 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -1.575 14.295 -0.018 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -1.618 16.322 -1.086 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -3.369 16.342 -1.147 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -3.121 16.797 1.496 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -1.534 17.374 1.026 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -2.776 18.787 -0.807 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -4.248 18.417 0.069 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -3.194 20.440 0.941 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -3.194 19.222 2.125 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -1.768 19.581 1.276 1.00 50.00 H new ATOM 248 N PHE A 17 -3.649 12.047 -2.178 1.00 50.00 N ATOM 249 CA PHE A 17 -3.087 10.809 -2.795 1.00 50.00 C ATOM 250 C PHE A 17 -3.748 10.547 -4.151 1.00 50.00 C ATOM 251 O PHE A 17 -4.932 10.761 -4.327 1.00 50.00 O ATOM 252 CB PHE A 17 -3.410 9.680 -1.818 1.00 50.00 C ATOM 253 CG PHE A 17 -2.123 9.042 -1.353 1.00 50.00 C ATOM 254 CD1 PHE A 17 -1.117 8.741 -2.278 1.00 50.00 C ATOM 255 CD2 PHE A 17 -1.936 8.752 0.002 1.00 50.00 C ATOM 256 CE1 PHE A 17 0.077 8.151 -1.847 1.00 50.00 C ATOM 257 CE2 PHE A 17 -0.743 8.161 0.435 1.00 50.00 C ATOM 258 CZ PHE A 17 0.264 7.860 -0.490 1.00 50.00 C ATOM 0 H PHE A 17 -4.553 12.343 -2.546 1.00 50.00 H new ATOM 0 HA PHE A 17 -2.015 10.894 -2.971 1.00 50.00 H new ATOM 0 HB2 PHE A 17 -3.966 10.069 -0.965 1.00 50.00 H new ATOM 0 HB3 PHE A 17 -4.045 8.937 -2.300 1.00 50.00 H new ATOM 0 HD1 PHE A 17 -1.262 8.964 -3.325 1.00 50.00 H new ATOM 0 HD2 PHE A 17 -2.713 8.984 0.715 1.00 50.00 H new ATOM 0 HE1 PHE A 17 0.854 7.920 -2.561 1.00 50.00 H new ATOM 0 HE2 PHE A 17 -0.600 7.937 1.482 1.00 50.00 H new ATOM 0 HZ PHE A 17 1.185 7.404 -0.157 1.00 50.00 H new ATOM 268 N SER A 18 -2.994 10.083 -5.109 1.00 50.00 N ATOM 269 CA SER A 18 -3.582 9.804 -6.452 1.00 50.00 C ATOM 270 C SER A 18 -3.244 8.377 -6.893 1.00 50.00 C ATOM 271 O SER A 18 -2.175 8.117 -7.408 1.00 50.00 O ATOM 272 CB SER A 18 -2.933 10.821 -7.390 1.00 50.00 C ATOM 273 OG SER A 18 -3.608 12.067 -7.269 1.00 50.00 O ATOM 0 H SER A 18 -1.997 9.885 -5.021 1.00 50.00 H new ATOM 0 HA SER A 18 -4.669 9.887 -6.450 1.00 50.00 H new ATOM 0 HB2 SER A 18 -1.878 10.940 -7.143 1.00 50.00 H new ATOM 0 HB3 SER A 18 -2.981 10.466 -8.420 1.00 50.00 H new ATOM 0 HG SER A 18 -3.194 12.723 -7.868 1.00 50.00 H new ATOM 279 N PHE A 19 -4.143 7.453 -6.697 1.00 50.00 N ATOM 280 CA PHE A 19 -3.864 6.051 -7.108 1.00 50.00 C ATOM 281 C PHE A 19 -3.531 5.993 -8.599 1.00 50.00 C ATOM 282 O PHE A 19 -4.329 6.360 -9.439 1.00 50.00 O ATOM 283 CB PHE A 19 -5.153 5.282 -6.811 1.00 50.00 C ATOM 284 CG PHE A 19 -6.355 6.085 -7.258 1.00 50.00 C ATOM 285 CD1 PHE A 19 -6.744 6.072 -8.603 1.00 50.00 C ATOM 286 CD2 PHE A 19 -7.081 6.837 -6.326 1.00 50.00 C ATOM 287 CE1 PHE A 19 -7.859 6.812 -9.016 1.00 50.00 C ATOM 288 CE2 PHE A 19 -8.195 7.577 -6.740 1.00 50.00 C ATOM 289 CZ PHE A 19 -8.585 7.565 -8.085 1.00 50.00 C ATOM 0 H PHE A 19 -5.057 7.609 -6.271 1.00 50.00 H new ATOM 0 HA PHE A 19 -3.011 5.629 -6.578 1.00 50.00 H new ATOM 0 HB2 PHE A 19 -5.138 4.320 -7.324 1.00 50.00 H new ATOM 0 HB3 PHE A 19 -5.223 5.073 -5.744 1.00 50.00 H new ATOM 0 HD1 PHE A 19 -6.184 5.492 -9.322 1.00 50.00 H new ATOM 0 HD2 PHE A 19 -6.782 6.846 -5.288 1.00 50.00 H new ATOM 0 HE1 PHE A 19 -8.159 6.802 -10.053 1.00 50.00 H new ATOM 0 HE2 PHE A 19 -8.754 8.158 -6.021 1.00 50.00 H new ATOM 0 HZ PHE A 19 -9.445 8.136 -8.404 1.00 50.00 H new ATOM 299 N ALA A 20 -2.358 5.537 -8.933 1.00 50.00 N ATOM 300 CA ALA A 20 -1.970 5.455 -10.367 1.00 50.00 C ATOM 301 C ALA A 20 -1.969 3.996 -10.829 1.00 50.00 C ATOM 302 O ALA A 20 -2.074 3.706 -12.005 1.00 50.00 O ATOM 303 CB ALA A 20 -0.559 6.038 -10.431 1.00 50.00 C ATOM 0 H ALA A 20 -1.649 5.217 -8.273 1.00 50.00 H new ATOM 0 HA ALA A 20 -2.662 5.994 -11.014 1.00 50.00 H new ATOM 0 HB1 ALA A 20 -0.201 6.013 -11.460 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -0.575 7.069 -10.078 1.00 50.00 H new ATOM 0 HB3 ALA A 20 0.107 5.449 -9.801 1.00 50.00 H new ATOM 309 N LYS A 21 -1.851 3.072 -9.913 1.00 50.00 N ATOM 310 CA LYS A 21 -1.842 1.634 -10.306 1.00 50.00 C ATOM 311 C LYS A 21 -2.540 0.787 -9.237 1.00 50.00 C ATOM 312 O LYS A 21 -2.526 1.111 -8.067 1.00 50.00 O ATOM 313 CB LYS A 21 -0.363 1.261 -10.406 1.00 50.00 C ATOM 314 CG LYS A 21 0.394 2.372 -11.136 1.00 50.00 C ATOM 315 CD LYS A 21 1.701 1.813 -11.703 1.00 50.00 C ATOM 316 CE LYS A 21 2.693 2.958 -11.920 1.00 50.00 C ATOM 317 NZ LYS A 21 2.477 3.393 -13.327 1.00 50.00 N ATOM 0 H LYS A 21 -1.761 3.251 -8.913 1.00 50.00 H new ATOM 0 HA LYS A 21 -2.371 1.459 -11.243 1.00 50.00 H new ATOM 0 HB2 LYS A 21 0.055 1.115 -9.410 1.00 50.00 H new ATOM 0 HB3 LYS A 21 -0.250 0.318 -10.940 1.00 50.00 H new ATOM 0 HG2 LYS A 21 -0.220 2.777 -11.941 1.00 50.00 H new ATOM 0 HG3 LYS A 21 0.604 3.194 -10.451 1.00 50.00 H new ATOM 0 HD2 LYS A 21 2.122 1.077 -11.018 1.00 50.00 H new ATOM 0 HD3 LYS A 21 1.511 1.299 -12.645 1.00 50.00 H new ATOM 0 HE2 LYS A 21 2.511 3.775 -11.222 1.00 50.00 H new ATOM 0 HE3 LYS A 21 3.719 2.626 -11.763 1.00 50.00 H new ATOM 0 HZ1 LYS A 21 3.123 4.177 -13.551 1.00 50.00 H new ATOM 0 HZ2 LYS A 21 2.664 2.597 -13.969 1.00 50.00 H new ATOM 0 HZ3 LYS A 21 1.494 3.710 -13.445 1.00 50.00 H new ATOM 331 N ASN A 22 -3.149 -0.297 -9.634 1.00 50.00 N ATOM 332 CA ASN A 22 -3.846 -1.166 -8.643 1.00 50.00 C ATOM 333 C ASN A 22 -2.829 -1.829 -7.711 1.00 50.00 C ATOM 334 O ASN A 22 -1.662 -1.931 -8.038 1.00 50.00 O ATOM 335 CB ASN A 22 -4.572 -2.218 -9.481 1.00 50.00 C ATOM 336 CG ASN A 22 -5.433 -1.524 -10.538 1.00 50.00 C ATOM 337 OD1 ASN A 22 -6.568 -1.175 -10.280 1.00 50.00 O ATOM 338 ND2 ASN A 22 -4.938 -1.307 -11.726 1.00 50.00 N ATOM 0 H ASN A 22 -3.194 -0.618 -10.601 1.00 50.00 H new ATOM 0 HA ASN A 22 -4.533 -0.603 -8.011 1.00 50.00 H new ATOM 0 HB2 ASN A 22 -3.849 -2.878 -9.961 1.00 50.00 H new ATOM 0 HB3 ASN A 22 -5.196 -2.841 -8.840 1.00 50.00 H new ATOM 0 HD21 ASN A 22 -5.504 -0.845 -12.438 1.00 50.00 H new ATOM 0 HD22 ASN A 22 -3.985 -1.600 -11.943 1.00 50.00 H new ATOM 345 N PRO A 23 -3.309 -2.259 -6.578 1.00 50.00 N ATOM 346 CA PRO A 23 -2.434 -2.922 -5.581 1.00 50.00 C ATOM 347 C PRO A 23 -2.056 -4.328 -6.054 1.00 50.00 C ATOM 348 O PRO A 23 -2.890 -5.086 -6.508 1.00 50.00 O ATOM 349 CB PRO A 23 -3.302 -2.983 -4.327 1.00 50.00 C ATOM 350 CG PRO A 23 -4.711 -2.944 -4.828 1.00 50.00 C ATOM 351 CD PRO A 23 -4.701 -2.170 -6.121 1.00 50.00 C ATOM 0 HA PRO A 23 -1.494 -2.395 -5.416 1.00 50.00 H new ATOM 0 HB2 PRO A 23 -3.110 -3.893 -3.759 1.00 50.00 H new ATOM 0 HB3 PRO A 23 -3.096 -2.143 -3.663 1.00 50.00 H new ATOM 0 HG2 PRO A 23 -5.091 -3.953 -4.986 1.00 50.00 H new ATOM 0 HG3 PRO A 23 -5.366 -2.467 -4.099 1.00 50.00 H new ATOM 0 HD2 PRO A 23 -5.388 -2.601 -6.849 1.00 50.00 H new ATOM 0 HD3 PRO A 23 -5.006 -1.135 -5.969 1.00 50.00 H new ATOM 359 N ALA A 24 -0.804 -4.681 -5.951 1.00 50.00 N ATOM 360 CA ALA A 24 -0.373 -6.038 -6.395 1.00 50.00 C ATOM 361 C ALA A 24 0.466 -6.710 -5.305 1.00 50.00 C ATOM 362 O ALA A 24 1.072 -6.055 -4.481 1.00 50.00 O ATOM 363 CB ALA A 24 0.469 -5.795 -7.647 1.00 50.00 C ATOM 0 H ALA A 24 -0.061 -4.089 -5.579 1.00 50.00 H new ATOM 0 HA ALA A 24 -1.219 -6.696 -6.594 1.00 50.00 H new ATOM 0 HB1 ALA A 24 0.825 -6.749 -8.037 1.00 50.00 H new ATOM 0 HB2 ALA A 24 -0.139 -5.298 -8.403 1.00 50.00 H new ATOM 0 HB3 ALA A 24 1.322 -5.164 -7.395 1.00 50.00 H new ATOM 369 N ASP A 25 0.506 -8.014 -5.295 1.00 50.00 N ATOM 370 CA ASP A 25 1.307 -8.728 -4.258 1.00 50.00 C ATOM 371 C ASP A 25 2.773 -8.813 -4.691 1.00 50.00 C ATOM 372 O ASP A 25 3.082 -8.886 -5.863 1.00 50.00 O ATOM 373 CB ASP A 25 0.689 -10.125 -4.175 1.00 50.00 C ATOM 374 CG ASP A 25 1.645 -11.064 -3.436 1.00 50.00 C ATOM 375 OD1 ASP A 25 1.882 -10.832 -2.262 1.00 50.00 O ATOM 376 OD2 ASP A 25 2.124 -11.998 -4.057 1.00 50.00 O ATOM 0 H ASP A 25 0.020 -8.616 -5.959 1.00 50.00 H new ATOM 0 HA ASP A 25 1.289 -8.217 -3.295 1.00 50.00 H new ATOM 0 HB2 ASP A 25 -0.268 -10.080 -3.655 1.00 50.00 H new ATOM 0 HB3 ASP A 25 0.490 -10.506 -5.177 1.00 50.00 H new ATOM 381 N THR A 26 3.680 -8.802 -3.752 1.00 50.00 N ATOM 382 CA THR A 26 5.125 -8.882 -4.111 1.00 50.00 C ATOM 383 C THR A 26 5.850 -9.853 -3.174 1.00 50.00 C ATOM 384 O THR A 26 7.052 -9.786 -3.006 1.00 50.00 O ATOM 385 CB THR A 26 5.661 -7.461 -3.928 1.00 50.00 C ATOM 386 OG1 THR A 26 4.722 -6.694 -3.186 1.00 50.00 O ATOM 387 CG2 THR A 26 5.881 -6.816 -5.298 1.00 50.00 C ATOM 0 H THR A 26 3.483 -8.741 -2.753 1.00 50.00 H new ATOM 0 HA THR A 26 5.277 -9.246 -5.127 1.00 50.00 H new ATOM 0 HB THR A 26 6.608 -7.496 -3.390 1.00 50.00 H new ATOM 0 HG1 THR A 26 5.195 -6.011 -2.666 1.00 50.00 H new ATOM 0 HG21 THR A 26 6.263 -5.804 -5.166 1.00 50.00 H new ATOM 0 HG22 THR A 26 6.602 -7.405 -5.866 1.00 50.00 H new ATOM 0 HG23 THR A 26 4.935 -6.780 -5.839 1.00 50.00 H new ATOM 395 N GLY A 27 5.130 -10.753 -2.564 1.00 50.00 N ATOM 396 CA GLY A 27 5.781 -11.725 -1.640 1.00 50.00 C ATOM 397 C GLY A 27 4.711 -12.451 -0.823 1.00 50.00 C ATOM 398 O GLY A 27 3.716 -12.907 -1.351 1.00 50.00 O ATOM 0 H GLY A 27 4.120 -10.858 -2.665 1.00 50.00 H new ATOM 0 HA2 GLY A 27 6.369 -12.445 -2.209 1.00 50.00 H new ATOM 0 HA3 GLY A 27 6.470 -11.205 -0.975 1.00 50.00 H new ATOM 402 N HIS A 28 4.908 -12.563 0.463 1.00 50.00 N ATOM 403 CA HIS A 28 3.901 -13.262 1.313 1.00 50.00 C ATOM 404 C HIS A 28 3.087 -12.246 2.118 1.00 50.00 C ATOM 405 O HIS A 28 3.470 -11.849 3.200 1.00 50.00 O ATOM 406 CB HIS A 28 4.722 -14.152 2.246 1.00 50.00 C ATOM 407 CG HIS A 28 4.249 -15.574 2.127 1.00 50.00 C ATOM 408 ND1 HIS A 28 3.640 -16.242 3.178 1.00 50.00 N ATOM 409 CD2 HIS A 28 4.286 -16.469 1.086 1.00 50.00 C ATOM 410 CE1 HIS A 28 3.337 -17.481 2.750 1.00 50.00 C ATOM 411 NE2 HIS A 28 3.710 -17.672 1.483 1.00 50.00 N ATOM 0 H HIS A 28 5.721 -12.201 0.961 1.00 50.00 H new ATOM 0 HA HIS A 28 3.190 -13.837 0.721 1.00 50.00 H new ATOM 0 HB2 HIS A 28 5.780 -14.087 1.991 1.00 50.00 H new ATOM 0 HB3 HIS A 28 4.621 -13.809 3.276 1.00 50.00 H new ATOM 0 HD2 HIS A 28 4.699 -16.270 0.108 1.00 50.00 H new ATOM 0 HE1 HIS A 28 2.851 -18.230 3.358 1.00 50.00 H new ATOM 0 HE2 HIS A 28 3.597 -18.518 0.925 1.00 50.00 H new ATOM 419 N GLY A 29 1.967 -11.824 1.598 1.00 50.00 N ATOM 420 CA GLY A 29 1.130 -10.835 2.335 1.00 50.00 C ATOM 421 C GLY A 29 1.697 -9.430 2.132 1.00 50.00 C ATOM 422 O GLY A 29 1.586 -8.576 2.990 1.00 50.00 O ATOM 0 H GLY A 29 1.596 -12.121 0.696 1.00 50.00 H new ATOM 0 HA2 GLY A 29 0.101 -10.878 1.979 1.00 50.00 H new ATOM 0 HA3 GLY A 29 1.110 -11.080 3.397 1.00 50.00 H new ATOM 426 N THR A 30 2.303 -9.180 1.004 1.00 50.00 N ATOM 427 CA THR A 30 2.873 -7.826 0.752 1.00 50.00 C ATOM 428 C THR A 30 2.270 -7.225 -0.520 1.00 50.00 C ATOM 429 O THR A 30 2.577 -7.638 -1.620 1.00 50.00 O ATOM 430 CB THR A 30 4.375 -8.055 0.573 1.00 50.00 C ATOM 431 OG1 THR A 30 4.584 -9.187 -0.261 1.00 50.00 O ATOM 432 CG2 THR A 30 5.024 -8.296 1.937 1.00 50.00 C ATOM 0 H THR A 30 2.428 -9.853 0.248 1.00 50.00 H new ATOM 0 HA THR A 30 2.659 -7.132 1.565 1.00 50.00 H new ATOM 0 HB THR A 30 4.824 -7.175 0.111 1.00 50.00 H new ATOM 0 HG1 THR A 30 5.546 -9.334 -0.378 1.00 50.00 H new ATOM 0 HG21 THR A 30 6.094 -8.459 1.807 1.00 50.00 H new ATOM 0 HG22 THR A 30 4.864 -7.427 2.575 1.00 50.00 H new ATOM 0 HG23 THR A 30 4.577 -9.174 2.402 1.00 50.00 H new ATOM 440 N VAL A 31 1.417 -6.248 -0.377 1.00 50.00 N ATOM 441 CA VAL A 31 0.798 -5.620 -1.571 1.00 50.00 C ATOM 442 C VAL A 31 1.510 -4.306 -1.903 1.00 50.00 C ATOM 443 O VAL A 31 1.951 -3.591 -1.025 1.00 50.00 O ATOM 444 CB VAL A 31 -0.656 -5.360 -1.178 1.00 50.00 C ATOM 445 CG1 VAL A 31 -1.448 -4.926 -2.413 1.00 50.00 C ATOM 446 CG2 VAL A 31 -1.266 -6.641 -0.608 1.00 50.00 C ATOM 0 H VAL A 31 1.123 -5.859 0.519 1.00 50.00 H new ATOM 0 HA VAL A 31 0.870 -6.254 -2.455 1.00 50.00 H new ATOM 0 HB VAL A 31 -0.694 -4.572 -0.426 1.00 50.00 H new ATOM 0 HG11 VAL A 31 -2.485 -4.740 -2.133 1.00 50.00 H new ATOM 0 HG12 VAL A 31 -1.014 -4.014 -2.822 1.00 50.00 H new ATOM 0 HG13 VAL A 31 -1.410 -5.714 -3.165 1.00 50.00 H new ATOM 0 HG21 VAL A 31 -2.303 -6.457 -0.327 1.00 50.00 H new ATOM 0 HG22 VAL A 31 -1.228 -7.428 -1.361 1.00 50.00 H new ATOM 0 HG23 VAL A 31 -0.702 -6.953 0.271 1.00 50.00 H new ATOM 456 N VAL A 32 1.630 -3.982 -3.161 1.00 50.00 N ATOM 457 CA VAL A 32 2.319 -2.718 -3.541 1.00 50.00 C ATOM 458 C VAL A 32 1.386 -1.830 -4.369 1.00 50.00 C ATOM 459 O VAL A 32 0.543 -2.309 -5.102 1.00 50.00 O ATOM 460 CB VAL A 32 3.527 -3.150 -4.378 1.00 50.00 C ATOM 461 CG1 VAL A 32 4.774 -3.186 -3.493 1.00 50.00 C ATOM 462 CG2 VAL A 32 3.286 -4.541 -4.973 1.00 50.00 C ATOM 0 H VAL A 32 1.281 -4.538 -3.941 1.00 50.00 H new ATOM 0 HA VAL A 32 2.617 -2.139 -2.667 1.00 50.00 H new ATOM 0 HB VAL A 32 3.671 -2.435 -5.188 1.00 50.00 H new ATOM 0 HG11 VAL A 32 5.634 -3.493 -4.088 1.00 50.00 H new ATOM 0 HG12 VAL A 32 4.955 -2.194 -3.079 1.00 50.00 H new ATOM 0 HG13 VAL A 32 4.623 -3.896 -2.680 1.00 50.00 H new ATOM 0 HG21 VAL A 32 4.151 -4.838 -5.566 1.00 50.00 H new ATOM 0 HG22 VAL A 32 3.134 -5.260 -4.168 1.00 50.00 H new ATOM 0 HG23 VAL A 32 2.401 -4.516 -5.609 1.00 50.00 H new ATOM 472 N ILE A 33 1.538 -0.540 -4.261 1.00 50.00 N ATOM 473 CA ILE A 33 0.673 0.388 -5.043 1.00 50.00 C ATOM 474 C ILE A 33 1.458 1.654 -5.389 1.00 50.00 C ATOM 475 O ILE A 33 2.418 1.998 -4.728 1.00 50.00 O ATOM 476 CB ILE A 33 -0.501 0.718 -4.119 1.00 50.00 C ATOM 477 CG1 ILE A 33 -1.452 1.681 -4.832 1.00 50.00 C ATOM 478 CG2 ILE A 33 0.022 1.373 -2.839 1.00 50.00 C ATOM 479 CD1 ILE A 33 -2.874 1.483 -4.301 1.00 50.00 C ATOM 0 H ILE A 33 2.227 -0.086 -3.662 1.00 50.00 H new ATOM 0 HA ILE A 33 0.333 -0.050 -5.982 1.00 50.00 H new ATOM 0 HB ILE A 33 -1.032 -0.199 -3.865 1.00 50.00 H new ATOM 0 HG12 ILE A 33 -1.132 2.710 -4.670 1.00 50.00 H new ATOM 0 HG13 ILE A 33 -1.426 1.504 -5.907 1.00 50.00 H new ATOM 0 HG21 ILE A 33 -0.815 1.607 -2.182 1.00 50.00 H new ATOM 0 HG22 ILE A 33 0.701 0.688 -2.331 1.00 50.00 H new ATOM 0 HG23 ILE A 33 0.554 2.291 -3.091 1.00 50.00 H new ATOM 0 HD11 ILE A 33 -3.551 2.169 -4.809 1.00 50.00 H new ATOM 0 HD12 ILE A 33 -3.192 0.457 -4.486 1.00 50.00 H new ATOM 0 HD13 ILE A 33 -2.893 1.682 -3.229 1.00 50.00 H new ATOM 491 N GLU A 34 1.069 2.346 -6.422 1.00 50.00 N ATOM 492 CA GLU A 34 1.809 3.582 -6.804 1.00 50.00 C ATOM 493 C GLU A 34 0.854 4.774 -6.908 1.00 50.00 C ATOM 494 O GLU A 34 0.125 4.915 -7.867 1.00 50.00 O ATOM 495 CB GLU A 34 2.425 3.271 -8.167 1.00 50.00 C ATOM 496 CG GLU A 34 3.386 4.394 -8.561 1.00 50.00 C ATOM 497 CD GLU A 34 4.538 3.817 -9.387 1.00 50.00 C ATOM 498 OE1 GLU A 34 4.429 2.675 -9.802 1.00 50.00 O ATOM 499 OE2 GLU A 34 5.510 4.526 -9.590 1.00 50.00 O ATOM 0 H GLU A 34 0.274 2.112 -7.017 1.00 50.00 H new ATOM 0 HA GLU A 34 2.563 3.849 -6.064 1.00 50.00 H new ATOM 0 HB2 GLU A 34 2.956 2.320 -8.129 1.00 50.00 H new ATOM 0 HB3 GLU A 34 1.641 3.169 -8.917 1.00 50.00 H new ATOM 0 HG2 GLU A 34 2.857 5.154 -9.137 1.00 50.00 H new ATOM 0 HG3 GLU A 34 3.775 4.884 -7.668 1.00 50.00 H new ATOM 506 N LEU A 35 0.864 5.637 -5.931 1.00 50.00 N ATOM 507 CA LEU A 35 -0.032 6.830 -5.974 1.00 50.00 C ATOM 508 C LEU A 35 0.814 8.099 -5.888 1.00 50.00 C ATOM 509 O LEU A 35 1.774 8.158 -5.151 1.00 50.00 O ATOM 510 CB LEU A 35 -0.944 6.704 -4.752 1.00 50.00 C ATOM 511 CG LEU A 35 -1.215 5.228 -4.462 1.00 50.00 C ATOM 512 CD1 LEU A 35 -0.073 4.659 -3.621 1.00 50.00 C ATOM 513 CD2 LEU A 35 -2.531 5.092 -3.693 1.00 50.00 C ATOM 0 H LEU A 35 1.455 5.569 -5.102 1.00 50.00 H new ATOM 0 HA LEU A 35 -0.613 6.883 -6.895 1.00 50.00 H new ATOM 0 HB2 LEU A 35 -0.477 7.175 -3.887 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -1.883 7.228 -4.931 1.00 50.00 H new ATOM 0 HG LEU A 35 -1.285 4.679 -5.401 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -0.264 3.606 -3.413 1.00 50.00 H new ATOM 0 HD12 LEU A 35 0.865 4.756 -4.168 1.00 50.00 H new ATOM 0 HD13 LEU A 35 -0.004 5.208 -2.682 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -2.724 4.039 -3.486 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -2.462 5.640 -2.753 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -3.346 5.500 -4.291 1.00 50.00 H new ATOM 525 N SER A 36 0.475 9.113 -6.632 1.00 50.00 N ATOM 526 CA SER A 36 1.273 10.361 -6.588 1.00 50.00 C ATOM 527 C SER A 36 0.683 11.324 -5.566 1.00 50.00 C ATOM 528 O SER A 36 -0.511 11.553 -5.535 1.00 50.00 O ATOM 529 CB SER A 36 1.178 10.943 -7.998 1.00 50.00 C ATOM 530 OG SER A 36 0.026 10.419 -8.646 1.00 50.00 O ATOM 0 H SER A 36 -0.322 9.128 -7.269 1.00 50.00 H new ATOM 0 HA SER A 36 2.307 10.182 -6.294 1.00 50.00 H new ATOM 0 HB2 SER A 36 1.120 12.030 -7.952 1.00 50.00 H new ATOM 0 HB3 SER A 36 2.074 10.695 -8.567 1.00 50.00 H new ATOM 0 HG SER A 36 -0.039 10.792 -9.550 1.00 50.00 H new ATOM 536 N TYR A 37 1.500 11.894 -4.726 1.00 50.00 N ATOM 537 CA TYR A 37 0.956 12.840 -3.719 1.00 50.00 C ATOM 538 C TYR A 37 1.067 14.275 -4.244 1.00 50.00 C ATOM 539 O TYR A 37 2.128 14.866 -4.241 1.00 50.00 O ATOM 540 CB TYR A 37 1.820 12.648 -2.472 1.00 50.00 C ATOM 541 CG TYR A 37 1.761 13.896 -1.621 1.00 50.00 C ATOM 542 CD1 TYR A 37 0.657 14.125 -0.791 1.00 50.00 C ATOM 543 CD2 TYR A 37 2.807 14.824 -1.668 1.00 50.00 C ATOM 544 CE1 TYR A 37 0.599 15.283 -0.007 1.00 50.00 C ATOM 545 CE2 TYR A 37 2.750 15.983 -0.883 1.00 50.00 C ATOM 546 CZ TYR A 37 1.646 16.213 -0.053 1.00 50.00 C ATOM 547 OH TYR A 37 1.590 17.356 0.718 1.00 49.57 O ATOM 0 H TYR A 37 2.509 11.747 -4.694 1.00 50.00 H new ATOM 0 HA TYR A 37 -0.097 12.657 -3.504 1.00 50.00 H new ATOM 0 HB2 TYR A 37 1.468 11.789 -1.901 1.00 50.00 H new ATOM 0 HB3 TYR A 37 2.851 12.439 -2.759 1.00 50.00 H new ATOM 0 HD1 TYR A 37 -0.150 13.408 -0.756 1.00 50.00 H new ATOM 0 HD2 TYR A 37 3.658 14.647 -2.309 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -0.253 15.460 0.633 1.00 50.00 H new ATOM 0 HE2 TYR A 37 3.558 16.699 -0.918 1.00 50.00 H new ATOM 0 HH TYR A 37 2.493 17.719 0.830 1.00 49.57 H new ATOM 557 N SER A 38 -0.020 14.836 -4.696 1.00 50.00 N ATOM 558 CA SER A 38 0.023 16.223 -5.219 1.00 50.00 C ATOM 559 C SER A 38 -0.405 17.204 -4.129 1.00 50.00 C ATOM 560 O SER A 38 -1.462 17.799 -4.193 1.00 50.00 O ATOM 561 CB SER A 38 -0.966 16.243 -6.382 1.00 50.00 C ATOM 562 OG SER A 38 -0.548 17.207 -7.340 1.00 50.00 O ATOM 0 H SER A 38 -0.937 14.390 -4.724 1.00 50.00 H new ATOM 0 HA SER A 38 1.024 16.516 -5.537 1.00 50.00 H new ATOM 0 HB2 SER A 38 -1.023 15.257 -6.843 1.00 50.00 H new ATOM 0 HB3 SER A 38 -1.966 16.483 -6.020 1.00 50.00 H new ATOM 0 HG SER A 38 -1.181 17.220 -8.088 1.00 50.00 H new ATOM 568 N GLY A 39 0.406 17.373 -3.123 1.00 99.99 N ATOM 569 CA GLY A 39 0.042 18.308 -2.026 1.00 99.99 C ATOM 570 C GLY A 39 0.994 19.505 -2.033 1.00 99.99 C ATOM 571 O GLY A 39 2.199 19.352 -2.081 1.00 99.99 O ATOM 0 H GLY A 39 1.305 16.904 -3.014 1.00 99.99 H new ATOM 0 HA2 GLY A 39 -0.986 18.648 -2.151 1.00 99.99 H new ATOM 0 HA3 GLY A 39 0.094 17.795 -1.066 1.00 99.99 H new ATOM 575 N SER A 40 0.464 20.696 -1.989 1.00 99.99 N ATOM 576 CA SER A 40 1.338 21.905 -1.998 1.00 99.99 C ATOM 577 C SER A 40 1.935 22.141 -0.607 1.00 99.99 C ATOM 578 O SER A 40 2.596 23.132 -0.366 1.00 99.99 O ATOM 579 CB SER A 40 0.416 23.058 -2.388 1.00 99.99 C ATOM 580 OG SER A 40 -0.908 22.767 -1.958 1.00 99.99 O ATOM 0 H SER A 40 -0.537 20.885 -1.947 1.00 99.99 H new ATOM 0 HA SER A 40 2.176 21.802 -2.688 1.00 99.99 H new ATOM 0 HB2 SER A 40 0.763 23.986 -1.933 1.00 99.99 H new ATOM 0 HB3 SER A 40 0.436 23.205 -3.468 1.00 99.99 H new ATOM 0 HG SER A 40 -1.502 23.506 -2.205 1.00 99.99 H new ATOM 586 N ASP A 41 1.709 21.241 0.308 1.00 99.99 N ATOM 587 CA ASP A 41 2.266 21.416 1.681 1.00 99.99 C ATOM 588 C ASP A 41 3.556 20.606 1.833 1.00 99.99 C ATOM 589 O ASP A 41 4.192 20.621 2.867 1.00 99.99 O ATOM 590 CB ASP A 41 1.183 20.880 2.618 1.00 99.99 C ATOM 591 CG ASP A 41 0.802 21.961 3.631 1.00 99.99 C ATOM 592 OD1 ASP A 41 0.740 23.115 3.241 1.00 99.99 O ATOM 593 OD2 ASP A 41 0.576 21.616 4.779 1.00 99.99 O ATOM 0 H ASP A 41 1.163 20.391 0.166 1.00 99.99 H new ATOM 0 HA ASP A 41 2.515 22.455 1.898 1.00 99.99 H new ATOM 0 HB2 ASP A 41 0.306 20.580 2.044 1.00 99.99 H new ATOM 0 HB3 ASP A 41 1.543 19.992 3.137 1.00 99.99 H new ATOM 598 N GLY A 42 3.944 19.898 0.808 1.00 99.99 N ATOM 599 CA GLY A 42 5.191 19.087 0.894 1.00 99.99 C ATOM 600 C GLY A 42 4.895 17.773 1.617 1.00 99.99 C ATOM 601 O GLY A 42 3.937 17.095 1.306 1.00 99.99 O ATOM 0 H GLY A 42 3.452 19.846 -0.084 1.00 99.99 H new ATOM 0 HA2 GLY A 42 5.576 18.886 -0.106 1.00 99.99 H new ATOM 0 HA3 GLY A 42 5.963 19.642 1.427 1.00 99.99 H new ATOM 605 N PRO A 43 5.734 17.456 2.566 1.00 99.99 N ATOM 606 CA PRO A 43 5.559 16.210 3.349 1.00 99.99 C ATOM 607 C PRO A 43 4.382 16.348 4.317 1.00 99.99 C ATOM 608 O PRO A 43 4.271 17.320 5.040 1.00 99.99 O ATOM 609 CB PRO A 43 6.877 16.074 4.106 1.00 99.99 C ATOM 610 CG PRO A 43 7.417 17.466 4.198 1.00 99.99 C ATOM 611 CD PRO A 43 6.908 18.222 2.997 1.00 99.99 C ATOM 0 HA PRO A 43 5.339 15.341 2.729 1.00 99.99 H new ATOM 0 HB2 PRO A 43 6.721 15.645 5.096 1.00 99.99 H new ATOM 0 HB3 PRO A 43 7.569 15.417 3.579 1.00 99.99 H new ATOM 0 HG2 PRO A 43 7.090 17.945 5.121 1.00 99.99 H new ATOM 0 HG3 PRO A 43 8.507 17.456 4.213 1.00 99.99 H new ATOM 0 HD2 PRO A 43 6.643 19.248 3.254 1.00 99.99 H new ATOM 0 HD3 PRO A 43 7.661 18.275 2.210 1.00 99.99 H new ATOM 619 N CYS A 44 3.502 15.387 4.334 1.00 50.00 N ATOM 620 CA CYS A 44 2.329 15.465 5.251 1.00 50.00 C ATOM 621 C CYS A 44 1.921 14.061 5.705 1.00 50.00 C ATOM 622 O CYS A 44 2.282 13.072 5.098 1.00 50.00 O ATOM 623 CB CYS A 44 1.221 16.112 4.423 1.00 50.00 C ATOM 624 SG CYS A 44 0.798 15.036 3.031 1.00 50.00 S ATOM 0 H CYS A 44 3.543 14.550 3.753 1.00 50.00 H new ATOM 0 HA CYS A 44 2.544 16.037 6.153 1.00 50.00 H new ATOM 0 HB2 CYS A 44 0.342 16.283 5.044 1.00 50.00 H new ATOM 0 HB3 CYS A 44 1.547 17.086 4.057 1.00 50.00 H new ATOM 629 N LYS A 45 1.169 13.964 6.767 1.00 50.00 N ATOM 630 CA LYS A 45 0.742 12.621 7.256 1.00 50.00 C ATOM 631 C LYS A 45 -0.545 12.195 6.551 1.00 50.00 C ATOM 632 O LYS A 45 -1.606 12.732 6.799 1.00 50.00 O ATOM 633 CB LYS A 45 0.501 12.802 8.755 1.00 50.00 C ATOM 634 CG LYS A 45 1.702 13.511 9.383 1.00 50.00 C ATOM 635 CD LYS A 45 2.905 12.565 9.391 1.00 50.00 C ATOM 636 CE LYS A 45 4.162 13.334 8.981 1.00 50.00 C ATOM 637 NZ LYS A 45 5.166 12.285 8.642 1.00 50.00 N ATOM 0 H LYS A 45 0.832 14.754 7.317 1.00 50.00 H new ATOM 0 HA LYS A 45 1.486 11.850 7.057 1.00 50.00 H new ATOM 0 HB2 LYS A 45 -0.406 13.384 8.921 1.00 50.00 H new ATOM 0 HB3 LYS A 45 0.349 11.832 9.229 1.00 50.00 H new ATOM 0 HG2 LYS A 45 1.940 14.414 8.821 1.00 50.00 H new ATOM 0 HG3 LYS A 45 1.463 13.822 10.400 1.00 50.00 H new ATOM 0 HD2 LYS A 45 3.036 12.135 10.384 1.00 50.00 H new ATOM 0 HD3 LYS A 45 2.733 11.736 8.705 1.00 50.00 H new ATOM 0 HE2 LYS A 45 3.966 13.983 8.127 1.00 50.00 H new ATOM 0 HE3 LYS A 45 4.516 13.971 9.791 1.00 50.00 H new ATOM 0 HZ1 LYS A 45 6.085 12.537 9.057 1.00 50.00 H new ATOM 0 HZ2 LYS A 45 4.854 11.369 9.023 1.00 50.00 H new ATOM 0 HZ3 LYS A 45 5.260 12.216 7.609 1.00 50.00 H new ATOM 651 N ILE A 46 -0.462 11.234 5.673 1.00 50.00 N ATOM 652 CA ILE A 46 -1.685 10.780 4.955 1.00 50.00 C ATOM 653 C ILE A 46 -2.443 9.751 5.794 1.00 50.00 C ATOM 654 O ILE A 46 -1.940 8.681 6.069 1.00 50.00 O ATOM 655 CB ILE A 46 -1.187 10.146 3.656 1.00 50.00 C ATOM 656 CG1 ILE A 46 -0.027 10.969 3.087 1.00 50.00 C ATOM 657 CG2 ILE A 46 -2.332 10.116 2.644 1.00 50.00 C ATOM 658 CD1 ILE A 46 0.338 10.444 1.696 1.00 50.00 C ATOM 0 H ILE A 46 0.397 10.745 5.422 1.00 50.00 H new ATOM 0 HA ILE A 46 -2.371 11.605 4.764 1.00 50.00 H new ATOM 0 HB ILE A 46 -0.841 9.132 3.856 1.00 50.00 H new ATOM 0 HG12 ILE A 46 -0.308 12.021 3.028 1.00 50.00 H new ATOM 0 HG13 ILE A 46 0.837 10.906 3.749 1.00 50.00 H new ATOM 0 HG21 ILE A 46 -1.984 9.665 1.715 1.00 50.00 H new ATOM 0 HG22 ILE A 46 -3.157 9.528 3.046 1.00 50.00 H new ATOM 0 HG23 ILE A 46 -2.672 11.133 2.449 1.00 50.00 H new ATOM 0 HD11 ILE A 46 1.163 11.030 1.291 1.00 50.00 H new ATOM 0 HD12 ILE A 46 0.636 9.398 1.769 1.00 50.00 H new ATOM 0 HD13 ILE A 46 -0.526 10.530 1.037 1.00 50.00 H new ATOM 670 N PRO A 47 -3.636 10.117 6.172 1.00 50.00 N ATOM 671 CA PRO A 47 -4.489 9.222 6.991 1.00 50.00 C ATOM 672 C PRO A 47 -5.000 8.053 6.145 1.00 50.00 C ATOM 673 O PRO A 47 -5.891 8.206 5.334 1.00 50.00 O ATOM 674 CB PRO A 47 -5.641 10.125 7.422 1.00 50.00 C ATOM 675 CG PRO A 47 -5.701 11.194 6.378 1.00 50.00 C ATOM 676 CD PRO A 47 -4.297 11.391 5.873 1.00 50.00 C ATOM 0 HA PRO A 47 -3.962 8.779 7.836 1.00 50.00 H new ATOM 0 HB2 PRO A 47 -6.579 9.572 7.475 1.00 50.00 H new ATOM 0 HB3 PRO A 47 -5.463 10.548 8.411 1.00 50.00 H new ATOM 0 HG2 PRO A 47 -6.366 10.903 5.565 1.00 50.00 H new ATOM 0 HG3 PRO A 47 -6.095 12.120 6.796 1.00 50.00 H new ATOM 0 HD2 PRO A 47 -4.283 11.608 4.805 1.00 50.00 H new ATOM 0 HD3 PRO A 47 -3.805 12.224 6.374 1.00 50.00 H new ATOM 684 N ILE A 48 -4.444 6.886 6.328 1.00 50.00 N ATOM 685 CA ILE A 48 -4.903 5.712 5.533 1.00 50.00 C ATOM 686 C ILE A 48 -5.292 4.562 6.464 1.00 50.00 C ATOM 687 O ILE A 48 -4.767 4.424 7.552 1.00 50.00 O ATOM 688 CB ILE A 48 -3.703 5.325 4.667 1.00 50.00 C ATOM 689 CG1 ILE A 48 -3.668 6.213 3.423 1.00 50.00 C ATOM 690 CG2 ILE A 48 -3.825 3.860 4.241 1.00 50.00 C ATOM 691 CD1 ILE A 48 -2.330 6.951 3.361 1.00 50.00 C ATOM 0 H ILE A 48 -3.694 6.695 6.992 1.00 50.00 H new ATOM 0 HA ILE A 48 -5.782 5.939 4.929 1.00 50.00 H new ATOM 0 HB ILE A 48 -2.786 5.459 5.240 1.00 50.00 H new ATOM 0 HG12 ILE A 48 -3.803 5.607 2.527 1.00 50.00 H new ATOM 0 HG13 ILE A 48 -4.489 6.929 3.451 1.00 50.00 H new ATOM 0 HG21 ILE A 48 -2.968 3.588 3.624 1.00 50.00 H new ATOM 0 HG22 ILE A 48 -3.851 3.225 5.126 1.00 50.00 H new ATOM 0 HG23 ILE A 48 -4.742 3.723 3.669 1.00 50.00 H new ATOM 0 HD11 ILE A 48 -2.305 7.584 2.474 1.00 50.00 H new ATOM 0 HD12 ILE A 48 -2.214 7.569 4.251 1.00 50.00 H new ATOM 0 HD13 ILE A 48 -1.517 6.227 3.313 1.00 50.00 H new ATOM 703 N VAL A 49 -6.207 3.732 6.044 1.00 50.00 N ATOM 704 CA VAL A 49 -6.628 2.590 6.903 1.00 50.00 C ATOM 705 C VAL A 49 -6.665 1.300 6.080 1.00 50.00 C ATOM 706 O VAL A 49 -7.068 1.295 4.933 1.00 50.00 O ATOM 707 CB VAL A 49 -8.028 2.958 7.393 1.00 50.00 C ATOM 708 CG1 VAL A 49 -8.926 3.262 6.192 1.00 50.00 C ATOM 709 CG2 VAL A 49 -8.615 1.787 8.182 1.00 50.00 C ATOM 0 H VAL A 49 -6.681 3.796 5.143 1.00 50.00 H new ATOM 0 HA VAL A 49 -5.941 2.418 7.732 1.00 50.00 H new ATOM 0 HB VAL A 49 -7.969 3.837 8.035 1.00 50.00 H new ATOM 0 HG11 VAL A 49 -9.925 3.524 6.541 1.00 50.00 H new ATOM 0 HG12 VAL A 49 -8.508 4.096 5.627 1.00 50.00 H new ATOM 0 HG13 VAL A 49 -8.986 2.383 5.550 1.00 50.00 H new ATOM 0 HG21 VAL A 49 -9.614 2.048 8.532 1.00 50.00 H new ATOM 0 HG22 VAL A 49 -8.674 0.909 7.539 1.00 50.00 H new ATOM 0 HG23 VAL A 49 -7.976 1.568 9.038 1.00 50.00 H new ATOM 719 N SER A 50 -6.251 0.206 6.658 1.00 50.00 N ATOM 720 CA SER A 50 -6.263 -1.083 5.913 1.00 50.00 C ATOM 721 C SER A 50 -7.240 -2.057 6.574 1.00 50.00 C ATOM 722 O SER A 50 -6.965 -2.613 7.618 1.00 50.00 O ATOM 723 CB SER A 50 -4.832 -1.609 6.007 1.00 50.00 C ATOM 724 OG SER A 50 -3.922 -0.537 5.793 1.00 50.00 O ATOM 0 H SER A 50 -5.904 0.150 7.616 1.00 50.00 H new ATOM 0 HA SER A 50 -6.582 -0.963 4.878 1.00 50.00 H new ATOM 0 HB2 SER A 50 -4.661 -2.057 6.986 1.00 50.00 H new ATOM 0 HB3 SER A 50 -4.671 -2.392 5.266 1.00 50.00 H new ATOM 0 HG SER A 50 -3.792 -0.406 4.831 1.00 50.00 H new ATOM 730 N VAL A 51 -8.382 -2.260 5.980 1.00 50.00 N ATOM 731 CA VAL A 51 -9.380 -3.191 6.579 1.00 50.00 C ATOM 732 C VAL A 51 -9.904 -4.162 5.519 1.00 50.00 C ATOM 733 O VAL A 51 -9.759 -3.941 4.334 1.00 50.00 O ATOM 734 CB VAL A 51 -10.505 -2.293 7.090 1.00 50.00 C ATOM 735 CG1 VAL A 51 -9.967 -1.371 8.185 1.00 50.00 C ATOM 736 CG2 VAL A 51 -11.049 -1.450 5.935 1.00 50.00 C ATOM 0 H VAL A 51 -8.669 -1.821 5.105 1.00 50.00 H new ATOM 0 HA VAL A 51 -8.950 -3.797 7.376 1.00 50.00 H new ATOM 0 HB VAL A 51 -11.305 -2.911 7.498 1.00 50.00 H new ATOM 0 HG11 VAL A 51 -10.771 -0.731 8.549 1.00 50.00 H new ATOM 0 HG12 VAL A 51 -9.580 -1.971 9.009 1.00 50.00 H new ATOM 0 HG13 VAL A 51 -9.166 -0.753 7.779 1.00 50.00 H new ATOM 0 HG21 VAL A 51 -11.852 -0.809 6.299 1.00 50.00 H new ATOM 0 HG22 VAL A 51 -10.249 -0.833 5.527 1.00 50.00 H new ATOM 0 HG23 VAL A 51 -11.434 -2.107 5.155 1.00 50.00 H new ATOM 746 N ALA A 52 -10.510 -5.237 5.941 1.00 50.00 N ATOM 747 CA ALA A 52 -11.043 -6.225 4.960 1.00 50.00 C ATOM 748 C ALA A 52 -11.999 -5.536 3.983 1.00 50.00 C ATOM 749 O ALA A 52 -12.450 -4.433 4.213 1.00 50.00 O ATOM 750 CB ALA A 52 -11.790 -7.259 5.805 1.00 50.00 C ATOM 0 H ALA A 52 -10.659 -5.474 6.922 1.00 50.00 H new ATOM 0 HA ALA A 52 -10.254 -6.682 4.362 1.00 50.00 H new ATOM 0 HB1 ALA A 52 -12.213 -8.024 5.154 1.00 50.00 H new ATOM 0 HB2 ALA A 52 -11.098 -7.723 6.508 1.00 50.00 H new ATOM 0 HB3 ALA A 52 -12.592 -6.768 6.357 1.00 50.00 H new ATOM 756 N SER A 53 -12.297 -6.174 2.885 1.00 50.00 N ATOM 757 CA SER A 53 -13.211 -5.553 1.884 1.00 50.00 C ATOM 758 C SER A 53 -14.606 -5.341 2.482 1.00 50.00 C ATOM 759 O SER A 53 -15.279 -6.279 2.860 1.00 50.00 O ATOM 760 CB SER A 53 -13.269 -6.553 0.731 1.00 50.00 C ATOM 761 OG SER A 53 -14.378 -6.243 -0.103 1.00 50.00 O ATOM 0 H SER A 53 -11.947 -7.099 2.637 1.00 50.00 H new ATOM 0 HA SER A 53 -12.859 -4.573 1.562 1.00 50.00 H new ATOM 0 HB2 SER A 53 -12.344 -6.516 0.155 1.00 50.00 H new ATOM 0 HB3 SER A 53 -13.363 -7.568 1.118 1.00 50.00 H new ATOM 0 HG SER A 53 -14.240 -5.367 -0.519 1.00 50.00 H new ATOM 767 N LEU A 54 -15.042 -4.109 2.561 1.00 50.00 N ATOM 768 CA LEU A 54 -16.400 -3.834 3.124 1.00 50.00 C ATOM 769 C LEU A 54 -16.384 -3.931 4.653 1.00 50.00 C ATOM 770 O LEU A 54 -17.369 -4.276 5.274 1.00 50.00 O ATOM 771 CB LEU A 54 -17.323 -4.895 2.522 1.00 50.00 C ATOM 772 CG LEU A 54 -18.564 -4.218 1.940 1.00 50.00 C ATOM 773 CD1 LEU A 54 -18.971 -4.919 0.643 1.00 50.00 C ATOM 774 CD2 LEU A 54 -19.713 -4.305 2.947 1.00 50.00 C ATOM 0 H LEU A 54 -14.520 -3.285 2.262 1.00 50.00 H new ATOM 0 HA LEU A 54 -16.737 -2.827 2.880 1.00 50.00 H new ATOM 0 HB2 LEU A 54 -16.799 -5.449 1.743 1.00 50.00 H new ATOM 0 HB3 LEU A 54 -17.613 -5.616 3.286 1.00 50.00 H new ATOM 0 HG LEU A 54 -18.340 -3.172 1.732 1.00 50.00 H new ATOM 0 HD11 LEU A 54 -19.856 -4.435 0.230 1.00 50.00 H new ATOM 0 HD12 LEU A 54 -18.154 -4.857 -0.076 1.00 50.00 H new ATOM 0 HD13 LEU A 54 -19.193 -5.966 0.850 1.00 50.00 H new ATOM 0 HD21 LEU A 54 -20.598 -3.822 2.532 1.00 50.00 H new ATOM 0 HD22 LEU A 54 -19.935 -5.351 3.156 1.00 50.00 H new ATOM 0 HD23 LEU A 54 -19.426 -3.803 3.871 1.00 50.00 H new ATOM 786 N ASN A 55 -15.276 -3.612 5.263 1.00 50.00 N ATOM 787 CA ASN A 55 -15.200 -3.666 6.751 1.00 50.00 C ATOM 788 C ASN A 55 -14.514 -2.407 7.287 1.00 50.00 C ATOM 789 O ASN A 55 -13.322 -2.392 7.527 1.00 50.00 O ATOM 790 CB ASN A 55 -14.368 -4.910 7.063 1.00 50.00 C ATOM 791 CG ASN A 55 -15.084 -6.151 6.528 1.00 50.00 C ATOM 792 OD1 ASN A 55 -15.067 -6.413 5.341 1.00 50.00 O ATOM 793 ND2 ASN A 55 -15.720 -6.933 7.357 1.00 50.00 N ATOM 0 H ASN A 55 -14.419 -3.316 4.795 1.00 50.00 H new ATOM 0 HA ASN A 55 -16.185 -3.713 7.215 1.00 50.00 H new ATOM 0 HB2 ASN A 55 -13.381 -4.823 6.609 1.00 50.00 H new ATOM 0 HB3 ASN A 55 -14.218 -4.999 8.139 1.00 50.00 H new ATOM 0 HD21 ASN A 55 -16.201 -7.762 7.009 1.00 50.00 H new ATOM 0 HD22 ASN A 55 -15.736 -6.715 8.353 1.00 50.00 H new ATOM 800 N ASP A 56 -15.256 -1.350 7.474 1.00 50.00 N ATOM 801 CA ASP A 56 -14.644 -0.092 7.992 1.00 50.00 C ATOM 802 C ASP A 56 -15.004 0.108 9.466 1.00 50.00 C ATOM 803 O ASP A 56 -14.905 1.197 9.997 1.00 50.00 O ATOM 804 CB ASP A 56 -15.250 1.021 7.137 1.00 50.00 C ATOM 805 CG ASP A 56 -14.178 1.595 6.209 1.00 50.00 C ATOM 806 OD1 ASP A 56 -13.009 1.364 6.471 1.00 50.00 O ATOM 807 OD2 ASP A 56 -14.543 2.256 5.250 1.00 50.00 O ATOM 0 H ASP A 56 -16.258 -1.302 7.291 1.00 50.00 H new ATOM 0 HA ASP A 56 -13.556 -0.108 7.933 1.00 50.00 H new ATOM 0 HB2 ASP A 56 -16.082 0.631 6.551 1.00 50.00 H new ATOM 0 HB3 ASP A 56 -15.651 1.807 7.776 1.00 50.00 H new ATOM 812 N MET A 57 -15.421 -0.933 10.133 1.00 50.00 N ATOM 813 CA MET A 57 -15.785 -0.798 11.572 1.00 50.00 C ATOM 814 C MET A 57 -14.668 -1.358 12.452 1.00 50.00 C ATOM 815 O MET A 57 -14.512 -0.978 13.596 1.00 50.00 O ATOM 816 CB MET A 57 -17.063 -1.619 11.740 1.00 50.00 C ATOM 817 CG MET A 57 -18.104 -0.797 12.502 1.00 50.00 C ATOM 818 SD MET A 57 -19.703 -1.643 12.439 1.00 50.00 S ATOM 819 CE MET A 57 -20.702 -0.202 11.986 1.00 50.00 C ATOM 0 H MET A 57 -15.525 -1.870 9.744 1.00 50.00 H new ATOM 0 HA MET A 57 -15.930 0.242 11.865 1.00 50.00 H new ATOM 0 HB2 MET A 57 -17.454 -1.905 10.764 1.00 50.00 H new ATOM 0 HB3 MET A 57 -16.847 -2.541 12.280 1.00 50.00 H new ATOM 0 HG2 MET A 57 -17.791 -0.664 13.538 1.00 50.00 H new ATOM 0 HG3 MET A 57 -18.189 0.198 12.065 1.00 50.00 H new ATOM 0 HE1 MET A 57 -21.747 -0.499 11.891 1.00 50.00 H new ATOM 0 HE2 MET A 57 -20.610 0.562 12.758 1.00 50.00 H new ATOM 0 HE3 MET A 57 -20.351 0.200 11.035 1.00 50.00 H new ATOM 829 N THR A 58 -13.892 -2.258 11.924 1.00 50.00 N ATOM 830 CA THR A 58 -12.781 -2.850 12.722 1.00 50.00 C ATOM 831 C THR A 58 -11.510 -2.940 11.873 1.00 50.00 C ATOM 832 O THR A 58 -11.563 -3.292 10.711 1.00 50.00 O ATOM 833 CB THR A 58 -13.267 -4.248 13.110 1.00 50.00 C ATOM 834 OG1 THR A 58 -14.569 -4.460 12.582 1.00 50.00 O ATOM 835 CG2 THR A 58 -13.307 -4.372 14.634 1.00 50.00 C ATOM 0 H THR A 58 -13.977 -2.612 10.971 1.00 50.00 H new ATOM 0 HA THR A 58 -12.537 -2.248 13.597 1.00 50.00 H new ATOM 0 HB THR A 58 -12.584 -4.995 12.704 1.00 50.00 H new ATOM 0 HG1 THR A 58 -14.880 -5.356 12.829 1.00 50.00 H new ATOM 0 HG21 THR A 58 -13.653 -5.368 14.909 1.00 50.00 H new ATOM 0 HG22 THR A 58 -12.308 -4.211 15.039 1.00 50.00 H new ATOM 0 HG23 THR A 58 -13.988 -3.626 15.042 1.00 50.00 H new ATOM 843 N PRO A 59 -10.406 -2.615 12.487 1.00 50.00 N ATOM 844 CA PRO A 59 -9.099 -2.657 11.785 1.00 50.00 C ATOM 845 C PRO A 59 -8.662 -4.107 11.559 1.00 50.00 C ATOM 846 O PRO A 59 -8.715 -4.928 12.454 1.00 50.00 O ATOM 847 CB PRO A 59 -8.152 -1.949 12.749 1.00 50.00 C ATOM 848 CG PRO A 59 -8.780 -2.114 14.097 1.00 50.00 C ATOM 849 CD PRO A 59 -10.270 -2.183 13.882 1.00 50.00 C ATOM 0 HA PRO A 59 -9.125 -2.190 10.801 1.00 50.00 H new ATOM 0 HB2 PRO A 59 -7.156 -2.391 12.720 1.00 50.00 H new ATOM 0 HB3 PRO A 59 -8.041 -0.896 12.491 1.00 50.00 H new ATOM 0 HG2 PRO A 59 -8.418 -3.020 14.583 1.00 50.00 H new ATOM 0 HG3 PRO A 59 -8.522 -1.278 14.748 1.00 50.00 H new ATOM 0 HD2 PRO A 59 -10.740 -2.889 14.566 1.00 50.00 H new ATOM 0 HD3 PRO A 59 -10.743 -1.215 14.048 1.00 50.00 H new ATOM 857 N VAL A 60 -8.228 -4.430 10.371 1.00 50.00 N ATOM 858 CA VAL A 60 -7.787 -5.827 10.095 1.00 50.00 C ATOM 859 C VAL A 60 -6.597 -5.827 9.138 1.00 50.00 C ATOM 860 O VAL A 60 -5.691 -6.628 9.250 1.00 50.00 O ATOM 861 CB VAL A 60 -8.995 -6.510 9.454 1.00 50.00 C ATOM 862 CG1 VAL A 60 -8.717 -8.007 9.308 1.00 50.00 C ATOM 863 CG2 VAL A 60 -10.225 -6.307 10.342 1.00 50.00 C ATOM 0 H VAL A 60 -8.160 -3.788 9.581 1.00 50.00 H new ATOM 0 HA VAL A 60 -7.465 -6.342 11.000 1.00 50.00 H new ATOM 0 HB VAL A 60 -9.178 -6.076 8.471 1.00 50.00 H new ATOM 0 HG11 VAL A 60 -9.578 -8.494 8.851 1.00 50.00 H new ATOM 0 HG12 VAL A 60 -7.840 -8.154 8.678 1.00 50.00 H new ATOM 0 HG13 VAL A 60 -8.534 -8.441 10.291 1.00 50.00 H new ATOM 0 HG21 VAL A 60 -11.087 -6.794 9.886 1.00 50.00 H new ATOM 0 HG22 VAL A 60 -10.040 -6.742 11.324 1.00 50.00 H new ATOM 0 HG23 VAL A 60 -10.425 -5.241 10.449 1.00 50.00 H new ATOM 873 N GLY A 61 -6.594 -4.925 8.201 1.00 50.00 N ATOM 874 CA GLY A 61 -5.464 -4.855 7.232 1.00 50.00 C ATOM 875 C GLY A 61 -4.256 -4.216 7.919 1.00 50.00 C ATOM 876 O GLY A 61 -4.390 -3.531 8.913 1.00 50.00 O ATOM 0 H GLY A 61 -7.327 -4.230 8.062 1.00 50.00 H new ATOM 0 HA2 GLY A 61 -5.210 -5.854 6.877 1.00 50.00 H new ATOM 0 HA3 GLY A 61 -5.753 -4.270 6.359 1.00 50.00 H new ATOM 880 N ARG A 62 -3.076 -4.433 7.405 1.00 50.00 N ATOM 881 CA ARG A 62 -1.873 -3.833 8.047 1.00 50.00 C ATOM 882 C ARG A 62 -1.025 -3.098 7.007 1.00 50.00 C ATOM 883 O ARG A 62 -1.086 -3.383 5.829 1.00 50.00 O ATOM 884 CB ARG A 62 -1.104 -5.020 8.627 1.00 50.00 C ATOM 885 CG ARG A 62 -1.992 -5.762 9.630 1.00 50.00 C ATOM 886 CD ARG A 62 -1.161 -6.155 10.854 1.00 50.00 C ATOM 887 NE ARG A 62 -2.086 -6.950 11.708 1.00 50.00 N ATOM 888 CZ ARG A 62 -2.540 -6.447 12.824 1.00 50.00 C ATOM 889 NH1 ARG A 62 -3.056 -5.249 12.837 1.00 50.00 N ATOM 890 NH2 ARG A 62 -2.479 -7.143 13.926 1.00 50.00 N ATOM 0 H ARG A 62 -2.894 -4.996 6.574 1.00 50.00 H new ATOM 0 HA ARG A 62 -2.134 -3.102 8.812 1.00 50.00 H new ATOM 0 HB2 ARG A 62 -0.798 -5.695 7.827 1.00 50.00 H new ATOM 0 HB3 ARG A 62 -0.194 -4.673 9.117 1.00 50.00 H new ATOM 0 HG2 ARG A 62 -2.826 -5.129 9.932 1.00 50.00 H new ATOM 0 HG3 ARG A 62 -2.419 -6.651 9.166 1.00 50.00 H new ATOM 0 HD2 ARG A 62 -0.288 -6.740 10.567 1.00 50.00 H new ATOM 0 HD3 ARG A 62 -0.795 -5.274 11.382 1.00 50.00 H new ATOM 0 HE ARG A 62 -2.365 -7.888 11.421 1.00 50.00 H new ATOM 0 HH11 ARG A 62 -3.105 -4.705 11.975 1.00 50.00 H new ATOM 0 HH12 ARG A 62 -3.411 -4.856 13.709 1.00 50.00 H new ATOM 0 HH21 ARG A 62 -2.077 -8.080 13.916 1.00 50.00 H new ATOM 0 HH22 ARG A 62 -2.834 -6.750 14.798 1.00 50.00 H new ATOM 904 N LEU A 63 -0.236 -2.150 7.435 1.00 50.00 N ATOM 905 CA LEU A 63 0.615 -1.397 6.471 1.00 50.00 C ATOM 906 C LEU A 63 2.012 -2.020 6.403 1.00 50.00 C ATOM 907 O LEU A 63 2.684 -2.170 7.404 1.00 50.00 O ATOM 908 CB LEU A 63 0.688 0.023 7.033 1.00 50.00 C ATOM 909 CG LEU A 63 -0.650 0.730 6.810 1.00 50.00 C ATOM 910 CD1 LEU A 63 -0.712 1.988 7.676 1.00 50.00 C ATOM 911 CD2 LEU A 63 -0.782 1.118 5.336 1.00 50.00 C ATOM 0 H LEU A 63 -0.144 -1.865 8.410 1.00 50.00 H new ATOM 0 HA LEU A 63 0.209 -1.414 5.459 1.00 50.00 H new ATOM 0 HB2 LEU A 63 0.922 -0.007 8.097 1.00 50.00 H new ATOM 0 HB3 LEU A 63 1.490 0.577 6.546 1.00 50.00 H new ATOM 0 HG LEU A 63 -1.465 0.060 7.084 1.00 50.00 H new ATOM 0 HD11 LEU A 63 -1.665 2.492 7.517 1.00 50.00 H new ATOM 0 HD12 LEU A 63 -0.618 1.712 8.726 1.00 50.00 H new ATOM 0 HD13 LEU A 63 0.103 2.658 7.403 1.00 50.00 H new ATOM 0 HD21 LEU A 63 -1.735 1.622 5.176 1.00 50.00 H new ATOM 0 HD22 LEU A 63 0.033 1.788 5.062 1.00 50.00 H new ATOM 0 HD23 LEU A 63 -0.738 0.221 4.718 1.00 50.00 H new ATOM 923 N VAL A 64 2.454 -2.386 5.231 1.00 50.00 N ATOM 924 CA VAL A 64 3.807 -3.000 5.104 1.00 50.00 C ATOM 925 C VAL A 64 4.888 -1.947 5.352 1.00 50.00 C ATOM 926 O VAL A 64 5.899 -2.215 5.971 1.00 50.00 O ATOM 927 CB VAL A 64 3.877 -3.511 3.666 1.00 50.00 C ATOM 928 CG1 VAL A 64 5.314 -3.922 3.339 1.00 50.00 C ATOM 929 CG2 VAL A 64 2.954 -4.721 3.510 1.00 50.00 C ATOM 0 H VAL A 64 1.938 -2.287 4.357 1.00 50.00 H new ATOM 0 HA VAL A 64 3.968 -3.799 5.828 1.00 50.00 H new ATOM 0 HB VAL A 64 3.561 -2.721 2.985 1.00 50.00 H new ATOM 0 HG11 VAL A 64 5.364 -4.287 2.313 1.00 50.00 H new ATOM 0 HG12 VAL A 64 5.973 -3.061 3.450 1.00 50.00 H new ATOM 0 HG13 VAL A 64 5.631 -4.712 4.020 1.00 50.00 H new ATOM 0 HG21 VAL A 64 3.003 -5.086 2.484 1.00 50.00 H new ATOM 0 HG22 VAL A 64 3.270 -5.510 4.192 1.00 50.00 H new ATOM 0 HG23 VAL A 64 1.930 -4.430 3.743 1.00 50.00 H new ATOM 939 N THR A 65 4.682 -0.750 4.875 1.00 50.00 N ATOM 940 CA THR A 65 5.698 0.319 5.084 1.00 50.00 C ATOM 941 C THR A 65 5.369 1.117 6.348 1.00 50.00 C ATOM 942 O THR A 65 4.358 0.901 6.985 1.00 50.00 O ATOM 943 CB THR A 65 5.598 1.209 3.845 1.00 50.00 C ATOM 944 OG1 THR A 65 4.282 1.131 3.315 1.00 50.00 O ATOM 945 CG2 THR A 65 6.603 0.735 2.793 1.00 50.00 C ATOM 0 H THR A 65 3.855 -0.467 4.350 1.00 50.00 H new ATOM 0 HA THR A 65 6.702 -0.084 5.214 1.00 50.00 H new ATOM 0 HB THR A 65 5.820 2.241 4.118 1.00 50.00 H new ATOM 0 HG1 THR A 65 4.215 1.702 2.521 1.00 50.00 H new ATOM 0 HG21 THR A 65 6.532 1.370 1.910 1.00 50.00 H new ATOM 0 HG22 THR A 65 7.612 0.794 3.201 1.00 50.00 H new ATOM 0 HG23 THR A 65 6.382 -0.296 2.518 1.00 50.00 H new ATOM 953 N VAL A 66 6.216 2.038 6.716 1.00 50.00 N ATOM 954 CA VAL A 66 5.957 2.848 7.934 1.00 50.00 C ATOM 955 C VAL A 66 4.615 3.576 7.813 1.00 50.00 C ATOM 956 O VAL A 66 3.878 3.384 6.866 1.00 50.00 O ATOM 957 CB VAL A 66 7.109 3.847 7.978 1.00 50.00 C ATOM 958 CG1 VAL A 66 8.422 3.104 8.228 1.00 50.00 C ATOM 959 CG2 VAL A 66 7.191 4.586 6.640 1.00 50.00 C ATOM 0 H VAL A 66 7.079 2.264 6.222 1.00 50.00 H new ATOM 0 HA VAL A 66 5.902 2.241 8.837 1.00 50.00 H new ATOM 0 HB VAL A 66 6.938 4.563 8.782 1.00 50.00 H new ATOM 0 HG11 VAL A 66 9.244 3.819 8.259 1.00 50.00 H new ATOM 0 HG12 VAL A 66 8.365 2.575 9.179 1.00 50.00 H new ATOM 0 HG13 VAL A 66 8.594 2.388 7.424 1.00 50.00 H new ATOM 0 HG21 VAL A 66 8.014 5.301 6.669 1.00 50.00 H new ATOM 0 HG22 VAL A 66 7.362 3.868 5.838 1.00 50.00 H new ATOM 0 HG23 VAL A 66 6.256 5.116 6.459 1.00 50.00 H new ATOM 969 N ASN A 67 4.292 4.409 8.765 1.00 50.00 N ATOM 970 CA ASN A 67 2.997 5.148 8.701 1.00 50.00 C ATOM 971 C ASN A 67 2.802 5.745 7.305 1.00 50.00 C ATOM 972 O ASN A 67 3.755 5.956 6.581 1.00 50.00 O ATOM 973 CB ASN A 67 3.119 6.256 9.747 1.00 50.00 C ATOM 974 CG ASN A 67 2.842 5.680 11.138 1.00 50.00 C ATOM 975 OD1 ASN A 67 2.492 6.404 12.048 1.00 50.00 O ATOM 976 ND2 ASN A 67 2.985 4.399 11.341 1.00 50.00 N ATOM 0 H ASN A 67 4.867 4.610 9.583 1.00 50.00 H new ATOM 0 HA ASN A 67 2.141 4.501 8.894 1.00 50.00 H new ATOM 0 HB2 ASN A 67 4.117 6.692 9.715 1.00 50.00 H new ATOM 0 HB3 ASN A 67 2.414 7.057 9.527 1.00 50.00 H new ATOM 0 HD21 ASN A 67 2.803 4.005 12.264 1.00 50.00 H new ATOM 0 HD22 ASN A 67 3.279 3.791 10.576 1.00 50.00 H new ATOM 983 N PRO A 68 1.566 5.993 6.972 1.00 50.00 N ATOM 984 CA PRO A 68 1.237 6.570 5.645 1.00 50.00 C ATOM 985 C PRO A 68 1.599 8.059 5.591 1.00 50.00 C ATOM 986 O PRO A 68 0.741 8.910 5.472 1.00 50.00 O ATOM 987 CB PRO A 68 -0.273 6.378 5.540 1.00 50.00 C ATOM 988 CG PRO A 68 -0.758 6.308 6.955 1.00 50.00 C ATOM 989 CD PRO A 68 0.371 5.762 7.790 1.00 50.00 C ATOM 0 HA PRO A 68 1.786 6.099 4.830 1.00 50.00 H new ATOM 0 HB2 PRO A 68 -0.739 7.205 5.004 1.00 50.00 H new ATOM 0 HB3 PRO A 68 -0.517 5.467 4.994 1.00 50.00 H new ATOM 0 HG2 PRO A 68 -1.055 7.295 7.309 1.00 50.00 H new ATOM 0 HG3 PRO A 68 -1.636 5.666 7.029 1.00 50.00 H new ATOM 0 HD2 PRO A 68 0.440 6.274 8.750 1.00 50.00 H new ATOM 0 HD3 PRO A 68 0.233 4.702 8.003 1.00 50.00 H new ATOM 997 N PHE A 69 2.862 8.381 5.674 1.00 50.00 N ATOM 998 CA PHE A 69 3.276 9.798 5.624 1.00 50.00 C ATOM 999 C PHE A 69 4.438 9.975 4.641 1.00 50.00 C ATOM 1000 O PHE A 69 5.480 9.369 4.786 1.00 50.00 O ATOM 1001 CB PHE A 69 3.729 10.098 7.045 1.00 50.00 C ATOM 1002 CG PHE A 69 4.994 9.333 7.355 1.00 50.00 C ATOM 1003 CD1 PHE A 69 4.919 8.030 7.857 1.00 50.00 C ATOM 1004 CD2 PHE A 69 6.242 9.932 7.144 1.00 50.00 C ATOM 1005 CE1 PHE A 69 6.091 7.322 8.147 1.00 50.00 C ATOM 1006 CE2 PHE A 69 7.416 9.225 7.435 1.00 50.00 C ATOM 1007 CZ PHE A 69 7.340 7.919 7.936 1.00 50.00 C ATOM 0 H PHE A 69 3.625 7.712 5.775 1.00 50.00 H new ATOM 0 HA PHE A 69 2.479 10.462 5.289 1.00 50.00 H new ATOM 0 HB2 PHE A 69 3.903 11.168 7.162 1.00 50.00 H new ATOM 0 HB3 PHE A 69 2.945 9.823 7.751 1.00 50.00 H new ATOM 0 HD1 PHE A 69 3.956 7.570 8.021 1.00 50.00 H new ATOM 0 HD2 PHE A 69 6.300 10.939 6.757 1.00 50.00 H new ATOM 0 HE1 PHE A 69 6.032 6.315 8.534 1.00 50.00 H new ATOM 0 HE2 PHE A 69 8.379 9.687 7.273 1.00 50.00 H new ATOM 0 HZ PHE A 69 8.244 7.373 8.159 1.00 50.00 H new ATOM 1017 N VAL A 70 4.273 10.802 3.645 1.00 50.00 N ATOM 1018 CA VAL A 70 5.373 11.010 2.666 1.00 50.00 C ATOM 1019 C VAL A 70 6.300 12.128 3.152 1.00 50.00 C ATOM 1020 O VAL A 70 6.461 13.142 2.502 1.00 50.00 O ATOM 1021 CB VAL A 70 4.678 11.411 1.366 1.00 50.00 C ATOM 1022 CG1 VAL A 70 4.007 10.186 0.740 1.00 50.00 C ATOM 1023 CG2 VAL A 70 3.622 12.482 1.649 1.00 50.00 C ATOM 0 H VAL A 70 3.425 11.341 3.468 1.00 50.00 H new ATOM 0 HA VAL A 70 5.988 10.120 2.536 1.00 50.00 H new ATOM 0 HB VAL A 70 5.420 11.811 0.675 1.00 50.00 H new ATOM 0 HG11 VAL A 70 3.512 10.476 -0.187 1.00 50.00 H new ATOM 0 HG12 VAL A 70 4.760 9.427 0.527 1.00 50.00 H new ATOM 0 HG13 VAL A 70 3.270 9.781 1.433 1.00 50.00 H new ATOM 0 HG21 VAL A 70 3.130 12.763 0.718 1.00 50.00 H new ATOM 0 HG22 VAL A 70 2.882 12.088 2.345 1.00 50.00 H new ATOM 0 HG23 VAL A 70 4.101 13.359 2.086 1.00 50.00 H new ATOM 1033 N ALA A 71 6.909 11.950 4.294 1.00 50.00 N ATOM 1034 CA ALA A 71 7.823 13.001 4.827 1.00 50.00 C ATOM 1035 C ALA A 71 9.051 13.145 3.924 1.00 50.00 C ATOM 1036 O ALA A 71 10.164 12.867 4.325 1.00 50.00 O ATOM 1037 CB ALA A 71 8.234 12.503 6.212 1.00 50.00 C ATOM 0 H ALA A 71 6.813 11.121 4.881 1.00 50.00 H new ATOM 0 HA ALA A 71 7.344 13.979 4.870 1.00 50.00 H new ATOM 0 HB1 ALA A 71 8.910 13.224 6.672 1.00 50.00 H new ATOM 0 HB2 ALA A 71 7.347 12.388 6.835 1.00 50.00 H new ATOM 0 HB3 ALA A 71 8.739 11.541 6.118 1.00 50.00 H new ATOM 1043 N THR A 72 8.859 13.576 2.708 1.00 50.00 N ATOM 1044 CA THR A 72 10.019 13.735 1.783 1.00 50.00 C ATOM 1045 C THR A 72 9.834 14.980 0.910 1.00 50.00 C ATOM 1046 O THR A 72 8.735 15.467 0.732 1.00 50.00 O ATOM 1047 CB THR A 72 10.018 12.471 0.924 1.00 50.00 C ATOM 1048 OG1 THR A 72 9.592 11.366 1.710 1.00 50.00 O ATOM 1049 CG2 THR A 72 11.429 12.209 0.393 1.00 50.00 C ATOM 0 H THR A 72 7.952 13.825 2.314 1.00 50.00 H new ATOM 0 HA THR A 72 10.960 13.861 2.319 1.00 50.00 H new ATOM 0 HB THR A 72 9.336 12.604 0.084 1.00 50.00 H new ATOM 0 HG1 THR A 72 9.589 10.555 1.160 1.00 50.00 H new ATOM 0 HG21 THR A 72 11.426 11.307 -0.219 1.00 50.00 H new ATOM 0 HG22 THR A 72 11.754 13.056 -0.211 1.00 50.00 H new ATOM 0 HG23 THR A 72 12.114 12.077 1.230 1.00 50.00 H new ATOM 1057 N SER A 73 10.900 15.494 0.361 1.00 50.00 N ATOM 1058 CA SER A 73 10.783 16.702 -0.505 1.00 50.00 C ATOM 1059 C SER A 73 10.461 16.284 -1.942 1.00 50.00 C ATOM 1060 O SER A 73 10.085 17.093 -2.766 1.00 50.00 O ATOM 1061 CB SER A 73 12.153 17.376 -0.436 1.00 50.00 C ATOM 1062 OG SER A 73 12.900 17.039 -1.598 1.00 50.00 O ATOM 0 H SER A 73 11.846 15.131 0.474 1.00 50.00 H new ATOM 0 HA SER A 73 9.987 17.371 -0.179 1.00 50.00 H new ATOM 0 HB2 SER A 73 12.036 18.457 -0.365 1.00 50.00 H new ATOM 0 HB3 SER A 73 12.685 17.054 0.459 1.00 50.00 H new ATOM 0 HG SER A 73 13.779 17.471 -1.559 1.00 50.00 H new ATOM 1068 N SER A 74 10.603 15.022 -2.244 1.00 99.99 N ATOM 1069 CA SER A 74 10.304 14.545 -3.626 1.00 99.99 C ATOM 1070 C SER A 74 9.105 13.593 -3.605 1.00 99.99 C ATOM 1071 O SER A 74 8.856 12.873 -4.550 1.00 99.99 O ATOM 1072 CB SER A 74 11.567 13.810 -4.075 1.00 99.99 C ATOM 1073 OG SER A 74 12.045 13.003 -3.008 1.00 99.99 O ATOM 0 H SER A 74 10.913 14.300 -1.594 1.00 99.99 H new ATOM 0 HA SER A 74 10.050 15.362 -4.301 1.00 99.99 H new ATOM 0 HB2 SER A 74 11.351 13.191 -4.946 1.00 99.99 H new ATOM 0 HB3 SER A 74 12.332 14.527 -4.375 1.00 99.99 H new ATOM 0 HG SER A 74 12.854 12.529 -3.293 1.00 99.99 H new ATOM 1079 N ALA A 75 8.358 13.590 -2.534 1.00 99.99 N ATOM 1080 CA ALA A 75 7.172 12.689 -2.456 1.00 99.99 C ATOM 1081 C ALA A 75 5.990 13.317 -3.195 1.00 99.99 C ATOM 1082 O ALA A 75 4.874 12.843 -3.118 1.00 99.99 O ATOM 1083 CB ALA A 75 6.862 12.565 -0.966 1.00 99.99 C ATOM 0 H ALA A 75 8.517 14.171 -1.711 1.00 99.99 H new ATOM 0 HA ALA A 75 7.360 11.718 -2.914 1.00 99.99 H new ATOM 0 HB1 ALA A 75 5.998 11.915 -0.827 1.00 99.99 H new ATOM 0 HB2 ALA A 75 7.723 12.140 -0.449 1.00 99.99 H new ATOM 0 HB3 ALA A 75 6.644 13.551 -0.556 1.00 99.99 H new ATOM 1089 N ASN A 76 6.228 14.378 -3.915 1.00 99.99 N ATOM 1090 CA ASN A 76 5.129 15.032 -4.662 1.00 99.99 C ATOM 1091 C ASN A 76 4.951 14.342 -6.011 1.00 99.99 C ATOM 1092 O ASN A 76 4.335 14.868 -6.916 1.00 99.99 O ATOM 1093 CB ASN A 76 5.582 16.480 -4.852 1.00 99.99 C ATOM 1094 CG ASN A 76 5.762 17.143 -3.486 1.00 99.99 C ATOM 1095 OD1 ASN A 76 4.932 16.995 -2.612 1.00 99.99 O ATOM 1096 ND2 ASN A 76 6.821 17.873 -3.264 1.00 99.99 N ATOM 0 H ASN A 76 7.142 14.819 -4.016 1.00 99.99 H new ATOM 0 HA ASN A 76 4.174 14.977 -4.140 1.00 99.99 H new ATOM 0 HB2 ASN A 76 6.519 16.509 -5.408 1.00 99.99 H new ATOM 0 HB3 ASN A 76 4.846 17.028 -5.440 1.00 99.99 H new ATOM 0 HD21 ASN A 76 6.952 18.319 -2.356 1.00 99.99 H new ATOM 0 HD22 ASN A 76 7.518 17.997 -3.998 1.00 99.99 H new ATOM 1103 N SER A 77 5.490 13.161 -6.151 1.00 99.99 N ATOM 1104 CA SER A 77 5.357 12.434 -7.436 1.00 99.99 C ATOM 1105 C SER A 77 4.676 11.091 -7.189 1.00 99.99 C ATOM 1106 O SER A 77 4.214 10.813 -6.099 1.00 99.99 O ATOM 1107 CB SER A 77 6.788 12.232 -7.929 1.00 99.99 C ATOM 1108 OG SER A 77 6.782 11.335 -9.032 1.00 99.99 O ATOM 0 H SER A 77 6.016 12.672 -5.427 1.00 99.99 H new ATOM 0 HA SER A 77 4.756 12.975 -8.167 1.00 99.99 H new ATOM 0 HB2 SER A 77 7.221 13.187 -8.225 1.00 99.99 H new ATOM 0 HB3 SER A 77 7.409 11.835 -7.126 1.00 99.99 H new ATOM 0 HG SER A 77 6.261 11.722 -9.766 1.00 99.99 H new ATOM 1114 N LYS A 78 4.612 10.253 -8.184 1.00 99.99 N ATOM 1115 CA LYS A 78 3.967 8.930 -7.984 1.00 99.99 C ATOM 1116 C LYS A 78 4.760 8.140 -6.942 1.00 99.99 C ATOM 1117 O LYS A 78 5.664 7.396 -7.266 1.00 99.99 O ATOM 1118 CB LYS A 78 4.029 8.243 -9.347 1.00 99.99 C ATOM 1119 CG LYS A 78 2.650 8.294 -10.007 1.00 99.99 C ATOM 1120 CD LYS A 78 2.808 8.541 -11.508 1.00 99.99 C ATOM 1121 CE LYS A 78 1.447 8.889 -12.115 1.00 99.99 C ATOM 1122 NZ LYS A 78 1.599 10.278 -12.629 1.00 99.99 N ATOM 0 H LYS A 78 4.976 10.426 -9.121 1.00 99.99 H new ATOM 0 HA LYS A 78 2.940 9.008 -7.627 1.00 99.99 H new ATOM 0 HB2 LYS A 78 4.766 8.736 -9.981 1.00 99.99 H new ATOM 0 HB3 LYS A 78 4.350 7.208 -9.230 1.00 99.99 H new ATOM 0 HG2 LYS A 78 2.119 7.357 -9.836 1.00 99.99 H new ATOM 0 HG3 LYS A 78 2.050 9.086 -9.559 1.00 99.99 H new ATOM 0 HD2 LYS A 78 3.514 9.354 -11.681 1.00 99.99 H new ATOM 0 HD3 LYS A 78 3.218 7.654 -11.992 1.00 99.99 H new ATOM 0 HE2 LYS A 78 1.184 8.198 -12.916 1.00 99.99 H new ATOM 0 HE3 LYS A 78 0.655 8.829 -11.369 1.00 99.99 H new ATOM 0 HZ1 LYS A 78 0.705 10.588 -13.061 1.00 99.99 H new ATOM 0 HZ2 LYS A 78 1.843 10.914 -11.843 1.00 99.99 H new ATOM 0 HZ3 LYS A 78 2.355 10.303 -13.342 1.00 99.99 H new ATOM 1136 N VAL A 79 4.432 8.306 -5.690 1.00 99.99 N ATOM 1137 CA VAL A 79 5.164 7.581 -4.623 1.00 99.99 C ATOM 1138 C VAL A 79 4.702 6.119 -4.576 1.00 99.99 C ATOM 1139 O VAL A 79 3.772 5.733 -5.258 1.00 99.99 O ATOM 1140 CB VAL A 79 4.780 8.311 -3.339 1.00 99.99 C ATOM 1141 CG1 VAL A 79 5.161 9.788 -3.460 1.00 99.99 C ATOM 1142 CG2 VAL A 79 3.271 8.193 -3.114 1.00 99.99 C ATOM 0 H VAL A 79 3.684 8.917 -5.362 1.00 99.99 H new ATOM 0 HA VAL A 79 6.242 7.567 -4.780 1.00 99.99 H new ATOM 0 HB VAL A 79 5.309 7.865 -2.497 1.00 99.99 H new ATOM 0 HG11 VAL A 79 4.887 10.311 -2.543 1.00 99.99 H new ATOM 0 HG12 VAL A 79 6.236 9.875 -3.620 1.00 99.99 H new ATOM 0 HG13 VAL A 79 4.632 10.232 -4.303 1.00 99.99 H new ATOM 0 HG21 VAL A 79 2.998 8.715 -2.197 1.00 99.99 H new ATOM 0 HG22 VAL A 79 2.742 8.639 -3.956 1.00 99.99 H new ATOM 0 HG23 VAL A 79 2.997 7.141 -3.029 1.00 99.99 H new ATOM 1152 N LEU A 80 5.342 5.299 -3.786 1.00 50.00 N ATOM 1153 CA LEU A 80 4.929 3.866 -3.717 1.00 50.00 C ATOM 1154 C LEU A 80 4.590 3.462 -2.278 1.00 50.00 C ATOM 1155 O LEU A 80 5.353 3.692 -1.361 1.00 50.00 O ATOM 1156 CB LEU A 80 6.140 3.079 -4.218 1.00 50.00 C ATOM 1157 CG LEU A 80 5.672 1.978 -5.171 1.00 50.00 C ATOM 1158 CD1 LEU A 80 6.886 1.246 -5.744 1.00 50.00 C ATOM 1159 CD2 LEU A 80 4.790 0.986 -4.409 1.00 50.00 C ATOM 0 H LEU A 80 6.128 5.556 -3.189 1.00 50.00 H new ATOM 0 HA LEU A 80 4.036 3.675 -4.312 1.00 50.00 H new ATOM 0 HB2 LEU A 80 6.835 3.746 -4.728 1.00 50.00 H new ATOM 0 HB3 LEU A 80 6.677 2.642 -3.376 1.00 50.00 H new ATOM 0 HG LEU A 80 5.100 2.422 -5.986 1.00 50.00 H new ATOM 0 HD11 LEU A 80 6.551 0.462 -6.423 1.00 50.00 H new ATOM 0 HD12 LEU A 80 7.514 1.952 -6.287 1.00 50.00 H new ATOM 0 HD13 LEU A 80 7.460 0.801 -4.931 1.00 50.00 H new ATOM 0 HD21 LEU A 80 4.456 0.201 -5.087 1.00 50.00 H new ATOM 0 HD22 LEU A 80 5.362 0.542 -3.594 1.00 50.00 H new ATOM 0 HD23 LEU A 80 3.923 1.507 -4.002 1.00 50.00 H new ATOM 1171 N VAL A 81 3.451 2.857 -2.079 1.00 50.00 N ATOM 1172 CA VAL A 81 3.055 2.429 -0.707 1.00 50.00 C ATOM 1173 C VAL A 81 2.942 0.901 -0.650 1.00 50.00 C ATOM 1174 O VAL A 81 3.129 0.219 -1.638 1.00 50.00 O ATOM 1175 CB VAL A 81 1.691 3.077 -0.467 1.00 50.00 C ATOM 1176 CG1 VAL A 81 1.460 3.233 1.036 1.00 50.00 C ATOM 1177 CG2 VAL A 81 1.654 4.456 -1.133 1.00 50.00 C ATOM 0 H VAL A 81 2.775 2.640 -2.811 1.00 50.00 H new ATOM 0 HA VAL A 81 3.783 2.726 0.048 1.00 50.00 H new ATOM 0 HB VAL A 81 0.910 2.447 -0.893 1.00 50.00 H new ATOM 0 HG11 VAL A 81 0.488 3.695 1.209 1.00 50.00 H new ATOM 0 HG12 VAL A 81 1.486 2.253 1.512 1.00 50.00 H new ATOM 0 HG13 VAL A 81 2.242 3.863 1.461 1.00 50.00 H new ATOM 0 HG21 VAL A 81 0.681 4.917 -0.961 1.00 50.00 H new ATOM 0 HG22 VAL A 81 2.435 5.087 -0.707 1.00 50.00 H new ATOM 0 HG23 VAL A 81 1.820 4.347 -2.205 1.00 50.00 H new ATOM 1187 N GLU A 82 2.640 0.356 0.498 1.00 50.00 N ATOM 1188 CA GLU A 82 2.517 -1.128 0.609 1.00 50.00 C ATOM 1189 C GLU A 82 1.564 -1.500 1.750 1.00 50.00 C ATOM 1190 O GLU A 82 1.429 -0.781 2.720 1.00 50.00 O ATOM 1191 CB GLU A 82 3.932 -1.620 0.912 1.00 50.00 C ATOM 1192 CG GLU A 82 4.832 -1.357 -0.296 1.00 50.00 C ATOM 1193 CD GLU A 82 6.161 -2.094 -0.112 1.00 50.00 C ATOM 1194 OE1 GLU A 82 6.637 -2.145 1.009 1.00 50.00 O ATOM 1195 OE2 GLU A 82 6.680 -2.594 -1.097 1.00 50.00 O ATOM 0 H GLU A 82 2.473 0.872 1.362 1.00 50.00 H new ATOM 0 HA GLU A 82 2.113 -1.577 -0.299 1.00 50.00 H new ATOM 0 HB2 GLU A 82 4.326 -1.109 1.791 1.00 50.00 H new ATOM 0 HB3 GLU A 82 3.917 -2.685 1.143 1.00 50.00 H new ATOM 0 HG2 GLU A 82 4.341 -1.693 -1.209 1.00 50.00 H new ATOM 0 HG3 GLU A 82 5.009 -0.287 -0.405 1.00 50.00 H new ATOM 1202 N MET A 83 0.902 -2.620 1.640 1.00 50.00 N ATOM 1203 CA MET A 83 -0.042 -3.039 2.717 1.00 50.00 C ATOM 1204 C MET A 83 -0.109 -4.568 2.799 1.00 50.00 C ATOM 1205 O MET A 83 -0.276 -5.244 1.804 1.00 50.00 O ATOM 1206 CB MET A 83 -1.395 -2.466 2.299 1.00 50.00 C ATOM 1207 CG MET A 83 -1.895 -1.504 3.377 1.00 50.00 C ATOM 1208 SD MET A 83 -2.878 -0.193 2.606 1.00 50.00 S ATOM 1209 CE MET A 83 -1.593 0.429 1.495 1.00 50.00 C ATOM 0 H MET A 83 0.974 -3.263 0.851 1.00 50.00 H new ATOM 0 HA MET A 83 0.268 -2.683 3.699 1.00 50.00 H new ATOM 0 HB2 MET A 83 -1.303 -1.945 1.346 1.00 50.00 H new ATOM 0 HB3 MET A 83 -2.114 -3.272 2.154 1.00 50.00 H new ATOM 0 HG2 MET A 83 -2.497 -2.042 4.109 1.00 50.00 H new ATOM 0 HG3 MET A 83 -1.051 -1.072 3.914 1.00 50.00 H new ATOM 0 HE1 MET A 83 -1.715 1.504 1.364 1.00 50.00 H new ATOM 0 HE2 MET A 83 -0.612 0.224 1.923 1.00 50.00 H new ATOM 0 HE3 MET A 83 -1.677 -0.066 0.528 1.00 50.00 H new ATOM 1219 N GLU A 84 0.024 -5.117 3.977 1.00 50.00 N ATOM 1220 CA GLU A 84 -0.027 -6.589 4.120 1.00 50.00 C ATOM 1221 C GLU A 84 -1.348 -7.028 4.759 1.00 50.00 C ATOM 1222 O GLU A 84 -1.379 -7.438 5.902 1.00 50.00 O ATOM 1223 CB GLU A 84 1.149 -6.930 5.033 1.00 50.00 C ATOM 1224 CG GLU A 84 1.160 -5.987 6.237 1.00 50.00 C ATOM 1225 CD GLU A 84 1.424 -6.791 7.511 1.00 50.00 C ATOM 1226 OE1 GLU A 84 0.937 -7.906 7.595 1.00 50.00 O ATOM 1227 OE2 GLU A 84 2.108 -6.278 8.381 1.00 50.00 O ATOM 0 H GLU A 84 0.166 -4.602 4.846 1.00 50.00 H new ATOM 0 HA GLU A 84 0.034 -7.097 3.158 1.00 50.00 H new ATOM 0 HB2 GLU A 84 1.072 -7.964 5.370 1.00 50.00 H new ATOM 0 HB3 GLU A 84 2.086 -6.843 4.483 1.00 50.00 H new ATOM 0 HG2 GLU A 84 1.929 -5.225 6.109 1.00 50.00 H new ATOM 0 HG3 GLU A 84 0.205 -5.467 6.314 1.00 50.00 H new ATOM 1234 N PRO A 85 -2.400 -6.937 3.990 1.00 50.00 N ATOM 1235 CA PRO A 85 -3.740 -7.341 4.480 1.00 50.00 C ATOM 1236 C PRO A 85 -3.828 -8.867 4.573 1.00 50.00 C ATOM 1237 O PRO A 85 -2.952 -9.567 4.105 1.00 50.00 O ATOM 1238 CB PRO A 85 -4.688 -6.806 3.412 1.00 50.00 C ATOM 1239 CG PRO A 85 -3.860 -6.713 2.171 1.00 50.00 C ATOM 1240 CD PRO A 85 -2.441 -6.452 2.605 1.00 50.00 C ATOM 0 HA PRO A 85 -3.970 -6.958 5.474 1.00 50.00 H new ATOM 0 HB2 PRO A 85 -5.539 -7.472 3.270 1.00 50.00 H new ATOM 0 HB3 PRO A 85 -5.089 -5.832 3.693 1.00 50.00 H new ATOM 0 HG2 PRO A 85 -3.923 -7.636 1.595 1.00 50.00 H new ATOM 0 HG3 PRO A 85 -4.220 -5.911 1.527 1.00 50.00 H new ATOM 0 HD2 PRO A 85 -1.727 -6.982 1.975 1.00 50.00 H new ATOM 0 HD3 PRO A 85 -2.194 -5.392 2.545 1.00 50.00 H new ATOM 1248 N PRO A 86 -4.888 -9.331 5.176 1.00 50.00 N ATOM 1249 CA PRO A 86 -5.095 -10.792 5.332 1.00 50.00 C ATOM 1250 C PRO A 86 -5.435 -11.432 3.983 1.00 50.00 C ATOM 1251 O PRO A 86 -5.904 -10.775 3.074 1.00 50.00 O ATOM 1252 CB PRO A 86 -6.275 -10.884 6.296 1.00 50.00 C ATOM 1253 CG PRO A 86 -7.008 -9.590 6.133 1.00 50.00 C ATOM 1254 CD PRO A 86 -5.984 -8.551 5.760 1.00 50.00 C ATOM 0 HA PRO A 86 -4.212 -11.315 5.698 1.00 50.00 H new ATOM 0 HB2 PRO A 86 -6.915 -11.733 6.057 1.00 50.00 H new ATOM 0 HB3 PRO A 86 -5.936 -11.019 7.323 1.00 50.00 H new ATOM 0 HG2 PRO A 86 -7.772 -9.674 5.360 1.00 50.00 H new ATOM 0 HG3 PRO A 86 -7.517 -9.316 7.057 1.00 50.00 H new ATOM 0 HD2 PRO A 86 -6.386 -7.831 5.047 1.00 50.00 H new ATOM 0 HD3 PRO A 86 -5.652 -7.986 6.631 1.00 50.00 H new ATOM 1262 N PHE A 87 -5.199 -12.708 3.845 1.00 50.00 N ATOM 1263 CA PHE A 87 -5.505 -13.387 2.550 1.00 50.00 C ATOM 1264 C PHE A 87 -6.954 -13.110 2.139 1.00 50.00 C ATOM 1265 O PHE A 87 -7.880 -13.356 2.886 1.00 50.00 O ATOM 1266 CB PHE A 87 -5.304 -14.883 2.814 1.00 50.00 C ATOM 1267 CG PHE A 87 -4.231 -15.078 3.857 1.00 50.00 C ATOM 1268 CD1 PHE A 87 -2.899 -14.778 3.553 1.00 50.00 C ATOM 1269 CD2 PHE A 87 -4.570 -15.548 5.131 1.00 50.00 C ATOM 1270 CE1 PHE A 87 -1.905 -14.948 4.522 1.00 50.00 C ATOM 1271 CE2 PHE A 87 -3.577 -15.720 6.100 1.00 50.00 C ATOM 1272 CZ PHE A 87 -2.244 -15.420 5.796 1.00 50.00 C ATOM 0 H PHE A 87 -4.809 -13.310 4.570 1.00 50.00 H new ATOM 0 HA PHE A 87 -4.866 -13.030 1.743 1.00 50.00 H new ATOM 0 HB2 PHE A 87 -6.238 -15.331 3.152 1.00 50.00 H new ATOM 0 HB3 PHE A 87 -5.023 -15.390 1.891 1.00 50.00 H new ATOM 0 HD1 PHE A 87 -2.638 -14.415 2.570 1.00 50.00 H new ATOM 0 HD2 PHE A 87 -5.599 -15.778 5.366 1.00 50.00 H new ATOM 0 HE1 PHE A 87 -0.877 -14.715 4.288 1.00 50.00 H new ATOM 0 HE2 PHE A 87 -3.838 -16.084 7.083 1.00 50.00 H new ATOM 0 HZ PHE A 87 -1.477 -15.553 6.544 1.00 50.00 H new ATOM 1282 N GLY A 88 -7.157 -12.602 0.954 1.00 50.00 N ATOM 1283 CA GLY A 88 -8.544 -12.309 0.493 1.00 50.00 C ATOM 1284 C GLY A 88 -8.618 -10.875 -0.031 1.00 50.00 C ATOM 1285 O GLY A 88 -7.614 -10.269 -0.352 1.00 50.00 O ATOM 0 H GLY A 88 -6.421 -12.377 0.284 1.00 50.00 H new ATOM 0 HA2 GLY A 88 -8.833 -13.009 -0.291 1.00 50.00 H new ATOM 0 HA3 GLY A 88 -9.247 -12.443 1.315 1.00 50.00 H new ATOM 1289 N ASP A 89 -9.797 -10.326 -0.121 1.00 50.00 N ATOM 1290 CA ASP A 89 -9.934 -8.929 -0.623 1.00 50.00 C ATOM 1291 C ASP A 89 -10.089 -7.958 0.551 1.00 50.00 C ATOM 1292 O ASP A 89 -10.910 -8.154 1.425 1.00 50.00 O ATOM 1293 CB ASP A 89 -11.198 -8.938 -1.484 1.00 50.00 C ATOM 1294 CG ASP A 89 -12.382 -9.425 -0.648 1.00 50.00 C ATOM 1295 OD1 ASP A 89 -12.259 -10.474 -0.036 1.00 50.00 O ATOM 1296 OD2 ASP A 89 -13.392 -8.742 -0.634 1.00 50.00 O ATOM 0 H ASP A 89 -10.673 -10.784 0.131 1.00 50.00 H new ATOM 0 HA ASP A 89 -9.060 -8.606 -1.188 1.00 50.00 H new ATOM 0 HB2 ASP A 89 -11.397 -7.937 -1.867 1.00 50.00 H new ATOM 0 HB3 ASP A 89 -11.058 -9.588 -2.348 1.00 50.00 H new ATOM 1301 N SER A 90 -9.307 -6.914 0.575 1.00 50.00 N ATOM 1302 CA SER A 90 -9.410 -5.930 1.693 1.00 50.00 C ATOM 1303 C SER A 90 -9.712 -4.536 1.140 1.00 50.00 C ATOM 1304 O SER A 90 -9.359 -4.212 0.023 1.00 50.00 O ATOM 1305 CB SER A 90 -8.039 -5.953 2.369 1.00 50.00 C ATOM 1306 OG SER A 90 -7.037 -5.645 1.408 1.00 50.00 O ATOM 0 H SER A 90 -8.602 -6.699 -0.130 1.00 50.00 H new ATOM 0 HA SER A 90 -10.211 -6.177 2.390 1.00 50.00 H new ATOM 0 HB2 SER A 90 -8.011 -5.231 3.185 1.00 50.00 H new ATOM 0 HB3 SER A 90 -7.852 -6.934 2.805 1.00 50.00 H new ATOM 0 HG SER A 90 -6.849 -6.439 0.865 1.00 50.00 H new ATOM 1312 N TYR A 91 -10.364 -3.709 1.911 1.00 50.00 N ATOM 1313 CA TYR A 91 -10.687 -2.338 1.423 1.00 50.00 C ATOM 1314 C TYR A 91 -9.789 -1.305 2.110 1.00 50.00 C ATOM 1315 O TYR A 91 -9.813 -1.151 3.315 1.00 50.00 O ATOM 1316 CB TYR A 91 -12.149 -2.117 1.811 1.00 50.00 C ATOM 1317 CG TYR A 91 -13.039 -2.431 0.631 1.00 50.00 C ATOM 1318 CD1 TYR A 91 -12.625 -3.355 -0.335 1.00 50.00 C ATOM 1319 CD2 TYR A 91 -14.281 -1.799 0.507 1.00 50.00 C ATOM 1320 CE1 TYR A 91 -13.453 -3.646 -1.426 1.00 50.00 C ATOM 1321 CE2 TYR A 91 -15.110 -2.089 -0.584 1.00 50.00 C ATOM 1322 CZ TYR A 91 -14.696 -3.013 -1.550 1.00 50.00 C ATOM 1323 OH TYR A 91 -15.512 -3.300 -2.625 1.00 49.57 O ATOM 0 H TYR A 91 -10.686 -3.922 2.855 1.00 50.00 H new ATOM 0 HA TYR A 91 -10.527 -2.233 0.350 1.00 50.00 H new ATOM 0 HB2 TYR A 91 -12.411 -2.753 2.657 1.00 50.00 H new ATOM 0 HB3 TYR A 91 -12.300 -1.085 2.129 1.00 50.00 H new ATOM 0 HD1 TYR A 91 -11.667 -3.844 -0.239 1.00 50.00 H new ATOM 0 HD2 TYR A 91 -14.601 -1.087 1.253 1.00 50.00 H new ATOM 0 HE1 TYR A 91 -13.133 -4.359 -2.172 1.00 50.00 H new ATOM 0 HE2 TYR A 91 -16.068 -1.600 -0.680 1.00 50.00 H new ATOM 0 HH TYR A 91 -16.337 -2.775 -2.559 1.00 49.57 H new ATOM 1333 N ILE A 92 -9.001 -0.593 1.352 1.00 50.00 N ATOM 1334 CA ILE A 92 -8.107 0.434 1.964 1.00 50.00 C ATOM 1335 C ILE A 92 -8.609 1.836 1.611 1.00 50.00 C ATOM 1336 O ILE A 92 -8.931 2.119 0.477 1.00 50.00 O ATOM 1337 CB ILE A 92 -6.732 0.184 1.343 1.00 50.00 C ATOM 1338 CG1 ILE A 92 -6.167 -1.136 1.871 1.00 50.00 C ATOM 1339 CG2 ILE A 92 -5.788 1.328 1.717 1.00 50.00 C ATOM 1340 CD1 ILE A 92 -6.762 -2.300 1.076 1.00 50.00 C ATOM 0 H ILE A 92 -8.937 -0.677 0.337 1.00 50.00 H new ATOM 0 HA ILE A 92 -8.078 0.367 3.052 1.00 50.00 H new ATOM 0 HB ILE A 92 -6.827 0.131 0.258 1.00 50.00 H new ATOM 0 HG12 ILE A 92 -5.081 -1.140 1.784 1.00 50.00 H new ATOM 0 HG13 ILE A 92 -6.402 -1.247 2.930 1.00 50.00 H new ATOM 0 HG21 ILE A 92 -4.808 1.150 1.275 1.00 50.00 H new ATOM 0 HG22 ILE A 92 -6.190 2.269 1.342 1.00 50.00 H new ATOM 0 HG23 ILE A 92 -5.692 1.381 2.802 1.00 50.00 H new ATOM 0 HD11 ILE A 92 -6.360 -3.241 1.452 1.00 50.00 H new ATOM 0 HD12 ILE A 92 -7.846 -2.299 1.186 1.00 50.00 H new ATOM 0 HD13 ILE A 92 -6.504 -2.190 0.023 1.00 50.00 H new ATOM 1352 N VAL A 93 -8.688 2.715 2.572 1.00 50.00 N ATOM 1353 CA VAL A 93 -9.183 4.091 2.274 1.00 50.00 C ATOM 1354 C VAL A 93 -8.153 5.142 2.697 1.00 50.00 C ATOM 1355 O VAL A 93 -7.683 5.149 3.818 1.00 50.00 O ATOM 1356 CB VAL A 93 -10.462 4.235 3.098 1.00 50.00 C ATOM 1357 CG1 VAL A 93 -11.184 5.523 2.698 1.00 50.00 C ATOM 1358 CG2 VAL A 93 -11.375 3.035 2.835 1.00 50.00 C ATOM 0 H VAL A 93 -8.433 2.543 3.545 1.00 50.00 H new ATOM 0 HA VAL A 93 -9.359 4.239 1.209 1.00 50.00 H new ATOM 0 HB VAL A 93 -10.210 4.275 4.158 1.00 50.00 H new ATOM 0 HG11 VAL A 93 -12.096 5.626 3.285 1.00 50.00 H new ATOM 0 HG12 VAL A 93 -10.534 6.378 2.885 1.00 50.00 H new ATOM 0 HG13 VAL A 93 -11.437 5.484 1.639 1.00 50.00 H new ATOM 0 HG21 VAL A 93 -12.288 3.137 3.422 1.00 50.00 H new ATOM 0 HG22 VAL A 93 -11.628 2.995 1.775 1.00 50.00 H new ATOM 0 HG23 VAL A 93 -10.861 2.117 3.120 1.00 50.00 H new ATOM 1368 N VAL A 94 -7.804 6.034 1.808 1.00 50.00 N ATOM 1369 CA VAL A 94 -6.811 7.088 2.159 1.00 50.00 C ATOM 1370 C VAL A 94 -7.512 8.442 2.297 1.00 50.00 C ATOM 1371 O VAL A 94 -7.624 9.193 1.349 1.00 50.00 O ATOM 1372 CB VAL A 94 -5.832 7.112 0.987 1.00 50.00 C ATOM 1373 CG1 VAL A 94 -4.682 8.065 1.307 1.00 50.00 C ATOM 1374 CG2 VAL A 94 -5.280 5.703 0.757 1.00 50.00 C ATOM 0 H VAL A 94 -8.164 6.077 0.855 1.00 50.00 H new ATOM 0 HA VAL A 94 -6.310 6.888 3.106 1.00 50.00 H new ATOM 0 HB VAL A 94 -6.346 7.452 0.088 1.00 50.00 H new ATOM 0 HG11 VAL A 94 -3.982 8.084 0.472 1.00 50.00 H new ATOM 0 HG12 VAL A 94 -5.076 9.068 1.473 1.00 50.00 H new ATOM 0 HG13 VAL A 94 -4.166 7.725 2.205 1.00 50.00 H new ATOM 0 HG21 VAL A 94 -4.581 5.718 -0.079 1.00 50.00 H new ATOM 0 HG22 VAL A 94 -4.764 5.363 1.655 1.00 50.00 H new ATOM 0 HG23 VAL A 94 -6.101 5.023 0.531 1.00 50.00 H new ATOM 1384 N GLY A 95 -7.988 8.759 3.469 1.00 50.00 N ATOM 1385 CA GLY A 95 -8.683 10.064 3.660 1.00 50.00 C ATOM 1386 C GLY A 95 -8.613 10.479 5.130 1.00 50.00 C ATOM 1387 O GLY A 95 -8.054 9.785 5.957 1.00 50.00 O ATOM 0 H GLY A 95 -7.926 8.173 4.301 1.00 50.00 H new ATOM 0 HA2 GLY A 95 -8.220 10.828 3.035 1.00 50.00 H new ATOM 0 HA3 GLY A 95 -9.723 9.982 3.345 1.00 50.00 H new ATOM 1391 N MET A 96 -9.183 11.606 5.464 1.00 50.00 N ATOM 1392 CA MET A 96 -9.154 12.067 6.881 1.00 50.00 C ATOM 1393 C MET A 96 -10.476 11.727 7.576 1.00 50.00 C ATOM 1394 O MET A 96 -10.513 11.452 8.759 1.00 50.00 O ATOM 1395 CB MET A 96 -8.970 13.583 6.797 1.00 50.00 C ATOM 1396 CG MET A 96 -10.233 14.219 6.214 1.00 50.00 C ATOM 1397 SD MET A 96 -9.822 15.821 5.481 1.00 50.00 S ATOM 1398 CE MET A 96 -9.884 15.302 3.748 1.00 50.00 C ATOM 0 H MET A 96 -9.667 12.227 4.816 1.00 50.00 H new ATOM 0 HA MET A 96 -8.361 11.588 7.455 1.00 50.00 H new ATOM 0 HB2 MET A 96 -8.769 13.991 7.788 1.00 50.00 H new ATOM 0 HB3 MET A 96 -8.109 13.821 6.173 1.00 50.00 H new ATOM 0 HG2 MET A 96 -10.668 13.563 5.460 1.00 50.00 H new ATOM 0 HG3 MET A 96 -10.982 14.347 6.995 1.00 50.00 H new ATOM 0 HE1 MET A 96 -9.104 15.816 3.186 1.00 50.00 H new ATOM 0 HE2 MET A 96 -9.727 14.225 3.685 1.00 50.00 H new ATOM 0 HE3 MET A 96 -10.858 15.552 3.328 1.00 50.00 H new ATOM 1408 N GLY A 97 -11.560 11.744 6.850 1.00 50.00 N ATOM 1409 CA GLY A 97 -12.876 11.421 7.470 1.00 50.00 C ATOM 1410 C GLY A 97 -13.989 11.612 6.437 1.00 50.00 C ATOM 1411 O GLY A 97 -14.566 10.661 5.949 1.00 50.00 O ATOM 0 H GLY A 97 -11.591 11.967 5.855 1.00 50.00 H new ATOM 0 HA2 GLY A 97 -12.876 10.394 7.834 1.00 50.00 H new ATOM 0 HA3 GLY A 97 -13.051 12.065 8.332 1.00 50.00 H new ATOM 1415 N ASP A 98 -14.295 12.835 6.100 1.00 50.00 N ATOM 1416 CA ASP A 98 -15.371 13.085 5.098 1.00 50.00 C ATOM 1417 C ASP A 98 -14.947 12.553 3.727 1.00 50.00 C ATOM 1418 O ASP A 98 -15.307 11.460 3.337 1.00 50.00 O ATOM 1419 CB ASP A 98 -15.529 14.606 5.058 1.00 50.00 C ATOM 1420 CG ASP A 98 -16.020 15.104 6.419 1.00 50.00 C ATOM 1421 OD1 ASP A 98 -17.221 15.089 6.634 1.00 50.00 O ATOM 1422 OD2 ASP A 98 -15.188 15.491 7.222 1.00 50.00 O ATOM 0 H ASP A 98 -13.847 13.671 6.474 1.00 50.00 H new ATOM 0 HA ASP A 98 -16.304 12.586 5.359 1.00 50.00 H new ATOM 0 HB2 ASP A 98 -14.577 15.075 4.809 1.00 50.00 H new ATOM 0 HB3 ASP A 98 -16.237 14.888 4.279 1.00 50.00 H new ATOM 1427 N LYS A 99 -14.185 13.316 2.992 1.00 50.00 N ATOM 1428 CA LYS A 99 -13.743 12.854 1.651 1.00 50.00 C ATOM 1429 C LYS A 99 -12.567 11.882 1.788 1.00 50.00 C ATOM 1430 O LYS A 99 -11.516 12.232 2.288 1.00 50.00 O ATOM 1431 CB LYS A 99 -13.311 14.123 0.917 1.00 50.00 C ATOM 1432 CG LYS A 99 -14.337 14.461 -0.167 1.00 50.00 C ATOM 1433 CD LYS A 99 -15.727 14.580 0.463 1.00 50.00 C ATOM 1434 CE LYS A 99 -16.095 16.057 0.612 1.00 50.00 C ATOM 1435 NZ LYS A 99 -16.980 16.114 1.808 1.00 50.00 N ATOM 0 H LYS A 99 -13.850 14.240 3.265 1.00 50.00 H new ATOM 0 HA LYS A 99 -14.531 12.324 1.116 1.00 50.00 H new ATOM 0 HB2 LYS A 99 -13.224 14.951 1.621 1.00 50.00 H new ATOM 0 HB3 LYS A 99 -12.327 13.980 0.470 1.00 50.00 H new ATOM 0 HG2 LYS A 99 -14.068 15.396 -0.658 1.00 50.00 H new ATOM 0 HG3 LYS A 99 -14.339 13.687 -0.934 1.00 50.00 H new ATOM 0 HD2 LYS A 99 -16.464 14.072 -0.158 1.00 50.00 H new ATOM 0 HD3 LYS A 99 -15.739 14.091 1.437 1.00 50.00 H new ATOM 0 HE2 LYS A 99 -15.206 16.673 0.749 1.00 50.00 H new ATOM 0 HE3 LYS A 99 -16.607 16.428 -0.276 1.00 50.00 H new ATOM 0 HZ1 LYS A 99 -17.687 16.866 1.681 1.00 50.00 H new ATOM 0 HZ2 LYS A 99 -17.463 15.201 1.926 1.00 50.00 H new ATOM 0 HZ3 LYS A 99 -16.409 16.315 2.653 1.00 50.00 H new ATOM 1449 N GLN A 100 -12.736 10.664 1.352 1.00 0.00 N ATOM 1450 CA GLN A 100 -11.629 9.671 1.462 1.00 0.00 C ATOM 1451 C GLN A 100 -11.566 8.803 0.201 1.00 0.00 C ATOM 1452 O GLN A 100 -12.568 8.541 -0.437 1.00 0.00 O ATOM 1453 CB GLN A 100 -11.963 8.815 2.692 1.00 0.00 C ATOM 1454 CG GLN A 100 -13.444 8.965 3.057 1.00 0.00 C ATOM 1455 CD GLN A 100 -14.311 8.438 1.913 1.00 0.00 C ATOM 1456 OE1 GLN A 100 -15.401 8.924 1.688 1.00 0.00 O ATOM 1457 NE2 GLN A 100 -13.869 7.459 1.174 1.00 0.00 N ATOM 0 H GLN A 100 -13.593 10.313 0.924 1.00 0.00 H new ATOM 0 HA GLN A 100 -10.658 10.155 1.563 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.736 7.769 2.488 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -11.341 9.118 3.534 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -13.660 8.416 3.973 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -13.677 10.012 3.250 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -12.954 7.051 1.363 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -14.439 7.102 0.407 1.00 0.00 H new ATOM 1466 N ILE A 101 -10.397 8.359 -0.168 1.00 0.00 N ATOM 1467 CA ILE A 101 -10.268 7.509 -1.388 1.00 0.00 C ATOM 1468 C ILE A 101 -10.342 6.029 -1.003 1.00 0.00 C ATOM 1469 O ILE A 101 -9.411 5.475 -0.451 1.00 0.00 O ATOM 1470 CB ILE A 101 -8.893 7.846 -1.964 1.00 0.00 C ATOM 1471 CG1 ILE A 101 -8.850 9.325 -2.353 1.00 0.00 C ATOM 1472 CG2 ILE A 101 -8.636 6.988 -3.205 1.00 0.00 C ATOM 1473 CD1 ILE A 101 -7.471 9.662 -2.925 1.00 0.00 C ATOM 0 H ILE A 101 -9.523 8.548 0.323 1.00 0.00 H new ATOM 0 HA ILE A 101 -11.065 7.693 -2.109 1.00 0.00 H new ATOM 0 HB ILE A 101 -8.127 7.644 -1.215 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -9.624 9.541 -3.090 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -9.056 9.947 -1.482 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -7.656 7.228 -3.616 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.667 5.933 -2.931 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -9.403 7.191 -3.953 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.440 10.716 -3.202 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.707 9.462 -2.174 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -7.283 9.049 -3.807 1.00 0.00 H new ATOM 1485 N ASN A 102 -11.441 5.383 -1.285 1.00 0.00 N ATOM 1486 CA ASN A 102 -11.570 3.941 -0.928 1.00 0.00 C ATOM 1487 C ASN A 102 -11.164 3.056 -2.111 1.00 0.00 C ATOM 1488 O ASN A 102 -11.529 3.307 -3.243 1.00 0.00 O ATOM 1489 CB ASN A 102 -13.050 3.747 -0.594 1.00 0.00 C ATOM 1490 CG ASN A 102 -13.871 3.730 -1.885 1.00 0.00 C ATOM 1491 OD1 ASN A 102 -13.863 4.685 -2.635 1.00 0.00 O ATOM 1492 ND2 ASN A 102 -14.583 2.676 -2.176 1.00 0.00 N ATOM 0 H ASN A 102 -12.254 5.791 -1.747 1.00 0.00 H new ATOM 0 HA ASN A 102 -10.923 3.665 -0.095 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -13.191 2.813 -0.050 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -13.394 4.551 0.057 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -15.134 2.654 -3.034 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -14.589 1.874 -1.545 1.00 0.00 H new ATOM 1499 N HIS A 103 -10.409 2.020 -1.856 1.00 0.00 N ATOM 1500 CA HIS A 103 -9.977 1.116 -2.959 1.00 0.00 C ATOM 1501 C HIS A 103 -10.272 -0.342 -2.593 1.00 0.00 C ATOM 1502 O HIS A 103 -10.444 -0.679 -1.438 1.00 0.00 O ATOM 1503 CB HIS A 103 -8.471 1.345 -3.095 1.00 0.00 C ATOM 1504 CG HIS A 103 -8.222 2.432 -4.103 1.00 0.00 C ATOM 1505 ND1 HIS A 103 -9.246 3.208 -4.622 1.00 0.00 N ATOM 1506 CD2 HIS A 103 -7.071 2.883 -4.701 1.00 0.00 C ATOM 1507 CE1 HIS A 103 -8.698 4.077 -5.490 1.00 0.00 C ATOM 1508 NE2 HIS A 103 -7.374 3.922 -5.577 1.00 0.00 N ATOM 0 H HIS A 103 -10.073 1.761 -0.928 1.00 0.00 H new ATOM 0 HA HIS A 103 -10.503 1.321 -3.891 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -8.045 1.623 -2.131 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -7.978 0.424 -3.407 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -10.236 3.134 -4.388 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -6.081 2.491 -4.519 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -9.260 4.811 -6.049 1.00 0.00 H new ATOM 1516 N HIS A 104 -10.339 -1.205 -3.569 1.00 0.00 N ATOM 1517 CA HIS A 104 -10.632 -2.640 -3.281 1.00 0.00 C ATOM 1518 C HIS A 104 -9.472 -3.529 -3.739 1.00 0.00 C ATOM 1519 O HIS A 104 -9.273 -3.748 -4.917 1.00 0.00 O ATOM 1520 CB HIS A 104 -11.891 -2.952 -4.092 1.00 0.00 C ATOM 1521 CG HIS A 104 -12.886 -1.837 -3.922 1.00 0.00 C ATOM 1522 ND1 HIS A 104 -13.733 -1.442 -4.946 1.00 0.00 N ATOM 1523 CD2 HIS A 104 -13.181 -1.023 -2.857 1.00 0.00 C ATOM 1524 CE1 HIS A 104 -14.490 -0.432 -4.479 1.00 0.00 C ATOM 1525 NE2 HIS A 104 -14.193 -0.137 -3.209 1.00 0.00 N ATOM 0 H HIS A 104 -10.204 -0.980 -4.555 1.00 0.00 H new ATOM 0 HA HIS A 104 -10.768 -2.824 -2.215 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -11.638 -3.070 -5.146 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -12.325 -3.895 -3.761 1.00 0.00 H new ATOM 0 HD1 HIS A 104 -13.775 -1.844 -5.883 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -12.700 -1.064 -1.891 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -15.245 0.078 -5.059 1.00 0.00 H new ATOM 1533 N TRP A 105 -8.708 -4.047 -2.816 1.00 0.00 N ATOM 1534 CA TRP A 105 -7.570 -4.923 -3.197 1.00 0.00 C ATOM 1535 C TRP A 105 -8.037 -6.378 -3.304 1.00 0.00 C ATOM 1536 O TRP A 105 -8.033 -7.112 -2.336 1.00 0.00 O ATOM 1537 CB TRP A 105 -6.551 -4.766 -2.067 1.00 0.00 C ATOM 1538 CG TRP A 105 -5.571 -5.895 -2.120 1.00 0.00 C ATOM 1539 CD1 TRP A 105 -5.009 -6.487 -1.041 1.00 0.00 C ATOM 1540 CD2 TRP A 105 -5.031 -6.577 -3.289 1.00 0.00 C ATOM 1541 NE1 TRP A 105 -4.159 -7.488 -1.473 1.00 0.00 N ATOM 1542 CE2 TRP A 105 -4.138 -7.582 -2.851 1.00 0.00 C ATOM 1543 CE3 TRP A 105 -5.228 -6.421 -4.673 1.00 0.00 C ATOM 1544 CZ2 TRP A 105 -3.463 -8.406 -3.754 1.00 0.00 C ATOM 1545 CZ3 TRP A 105 -4.551 -7.247 -5.585 1.00 0.00 C ATOM 1546 CH2 TRP A 105 -3.670 -8.238 -5.125 1.00 0.00 C ATOM 0 H TRP A 105 -8.825 -3.899 -1.814 1.00 0.00 H new ATOM 0 HA TRP A 105 -7.147 -4.654 -4.165 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -6.030 -3.813 -2.162 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -7.059 -4.756 -1.103 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -5.194 -6.221 -0.011 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -3.614 -8.084 -0.850 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -5.904 -5.661 -5.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -2.786 -9.167 -3.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -4.709 -7.119 -6.646 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -3.152 -8.870 -5.831 1.00 0.00 H new ATOM 1557 N HIS A 106 -8.441 -6.799 -4.472 1.00 0.00 N ATOM 1558 CA HIS A 106 -8.909 -8.206 -4.632 1.00 0.00 C ATOM 1559 C HIS A 106 -7.799 -9.069 -5.238 1.00 0.00 C ATOM 1560 O HIS A 106 -7.147 -8.684 -6.189 1.00 0.00 O ATOM 1561 CB HIS A 106 -10.108 -8.120 -5.578 1.00 0.00 C ATOM 1562 CG HIS A 106 -9.628 -7.937 -6.993 1.00 0.00 C ATOM 1563 ND1 HIS A 106 -9.905 -8.859 -7.991 1.00 0.00 N ATOM 1564 CD2 HIS A 106 -8.894 -6.944 -7.594 1.00 0.00 C ATOM 1565 CE1 HIS A 106 -9.344 -8.407 -9.128 1.00 0.00 C ATOM 1566 NE2 HIS A 106 -8.716 -7.243 -8.942 1.00 0.00 N ATOM 0 H HIS A 106 -8.467 -6.232 -5.320 1.00 0.00 H new ATOM 0 HA HIS A 106 -9.177 -8.664 -3.680 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -10.709 -9.026 -5.502 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -10.750 -7.287 -5.291 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -8.513 -6.065 -7.096 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -9.395 -8.923 -10.075 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -8.214 -6.692 -9.638 1.00 0.00 H new ATOM 1574 N LYS A 107 -7.576 -10.235 -4.693 1.00 0.00 N ATOM 1575 CA LYS A 107 -6.506 -11.121 -5.237 1.00 0.00 C ATOM 1576 C LYS A 107 -7.090 -12.084 -6.274 1.00 0.00 C ATOM 1577 O LYS A 107 -6.370 -12.790 -6.954 1.00 0.00 O ATOM 1578 CB LYS A 107 -5.975 -11.893 -4.027 1.00 0.00 C ATOM 1579 CG LYS A 107 -7.040 -12.879 -3.541 1.00 0.00 C ATOM 1580 CD LYS A 107 -6.490 -13.685 -2.362 1.00 0.00 C ATOM 1581 CE LYS A 107 -5.197 -14.389 -2.781 1.00 0.00 C ATOM 1582 NZ LYS A 107 -4.107 -13.596 -2.149 1.00 0.00 N ATOM 0 H LYS A 107 -8.088 -10.612 -3.895 1.00 0.00 H new ATOM 0 HA LYS A 107 -5.719 -10.556 -5.737 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -5.064 -12.428 -4.295 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -5.714 -11.200 -3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -7.939 -12.341 -3.239 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -7.327 -13.549 -4.351 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.299 -13.026 -1.515 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.226 -14.419 -2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -5.182 -15.424 -2.439 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -5.092 -14.410 -3.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.256 -13.638 -2.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -4.411 -12.606 -2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.891 -13.989 -1.210 1.00 0.00 H new ATOM 1596 N ALA A 108 -8.388 -12.119 -6.403 1.00 0.00 N ATOM 1597 CA ALA A 108 -9.011 -13.039 -7.398 1.00 0.00 C ATOM 1598 C ALA A 108 -10.495 -12.705 -7.571 1.00 0.00 C ATOM 1599 O ALA A 108 -11.257 -12.707 -6.624 1.00 0.00 O ATOM 1600 CB ALA A 108 -8.839 -14.438 -6.807 1.00 0.00 C ATOM 0 H ALA A 108 -9.043 -11.552 -5.864 1.00 0.00 H new ATOM 0 HA ALA A 108 -8.551 -12.955 -8.383 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -9.274 -15.174 -7.483 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -7.778 -14.649 -6.674 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -9.343 -14.490 -5.842 1.00 0.00 H new ATOM 1606 N GLY A 109 -10.911 -12.419 -8.775 1.00 0.00 N ATOM 1607 CA GLY A 109 -12.345 -12.086 -9.010 1.00 0.00 C ATOM 1608 C GLY A 109 -12.865 -12.885 -10.205 1.00 0.00 C ATOM 1609 O GLY A 109 -12.116 -13.265 -11.083 1.00 0.00 O ATOM 0 H GLY A 109 -10.320 -12.402 -9.606 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -12.933 -12.316 -8.122 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -12.455 -11.018 -9.197 1.00 0.00 H new ATOM 1613 N SER A 110 -14.143 -13.143 -10.248 1.00 0.00 N ATOM 1614 CA SER A 110 -14.708 -13.917 -11.389 1.00 0.00 C ATOM 1615 C SER A 110 -14.560 -13.125 -12.690 1.00 0.00 C ATOM 1616 O SER A 110 -13.643 -12.344 -12.851 1.00 0.00 O ATOM 1617 CB SER A 110 -16.184 -14.110 -11.045 1.00 0.00 C ATOM 1618 OG SER A 110 -16.303 -14.467 -9.674 1.00 0.00 O ATOM 0 H SER A 110 -14.820 -12.852 -9.543 1.00 0.00 H new ATOM 0 HA SER A 110 -14.196 -14.868 -11.536 1.00 0.00 H new ATOM 0 HB2 SER A 110 -16.739 -13.193 -11.244 1.00 0.00 H new ATOM 0 HB3 SER A 110 -16.618 -14.887 -11.674 1.00 0.00 H new ATOM 0 HG SER A 110 -17.249 -14.590 -9.449 1.00 0.00 H new ATOM 1624 N THR A 111 -15.454 -13.321 -13.621 1.00 0.00 N ATOM 1625 CA THR A 111 -15.363 -12.578 -14.910 1.00 0.00 C ATOM 1626 C THR A 111 -16.760 -12.165 -15.382 1.00 0.00 C ATOM 1627 O THR A 111 -17.615 -11.969 -14.534 1.00 49.57 O ATOM 1628 CB THR A 111 -14.735 -13.565 -15.895 1.00 0.00 C ATOM 1629 OG1 THR A 111 -15.359 -14.833 -15.754 1.00 0.00 O ATOM 1630 CG2 THR A 111 -13.240 -13.696 -15.605 1.00 0.00 C ATOM 1631 OXT THR A 111 -16.949 -12.051 -16.582 1.00 49.57 O ATOM 0 H THR A 111 -16.243 -13.963 -13.545 1.00 0.00 H new ATOM 0 HA THR A 111 -14.775 -11.665 -14.819 1.00 0.00 H new ATOM 0 HB THR A 111 -14.875 -13.202 -16.913 1.00 0.00 H new ATOM 0 HG1 THR A 111 -14.959 -15.466 -16.386 1.00 0.00 H new ATOM 0 HG21 THR A 111 -12.793 -14.400 -16.308 1.00 0.00 H new ATOM 0 HG22 THR A 111 -12.762 -12.722 -15.713 1.00 0.00 H new ATOM 0 HG23 THR A 111 -13.097 -14.059 -14.587 1.00 0.00 H new TER 1639 THR A 111