USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1057 hydrogens (6 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 107 ASN : amide:sc= 1.06 K(o=2.2,f=0.78) USER MOD Set 1.2: A 109 SER OG : rot -74:sc= 1.17 USER MOD Set 2.1: A 11 ASN : amide:sc= 0.607 K(o=1.5,f=-17!) USER MOD Set 2.2: A 105 LYS NZ :NH3+ 173:sc= 0.904 (180deg=0) USER MOD Set 3.1: A 85 ASN : amide:sc= -0.44 K(o=-1.6,f=-4.5) USER MOD Set 3.2: A 86 HIS : no HE2:sc= -1.12 K(o=-1.6,f=-4.2) USER MOD Set 4.1: A 60 MET CE :methyl -128:sc= -0.587 (180deg=-1.58) USER MOD Set 4.2: A 95 HIS : no HD1:sc= 0.951 K(o=0.36,f=-7!) USER MOD Set 5.1: A 48 TYR OH : rot -42:sc= 1.13 USER MOD Set 5.2: A 50 LYS NZ :NH3+ -170:sc= 0.851 (180deg=-0.0728) USER MOD Set 6.1: A 40 SER OG : rot 47:sc= 2.18 USER MOD Set 6.2: A 132 SER OG : rot 20:sc= 0.126 USER MOD Set 7.1: A 36 GLN : amide:sc= 1.05 K(o=1.8,f=0.61) USER MOD Set 7.2: A 38 GLN : amide:sc= 0.747 K(o=1.8,f=-0.27!) USER MOD Set 8.1: A 8 TYR OH : rot 38:sc= 0.763 USER MOD Set 8.2: A 14 HIS :FLIP no HD1:sc= -0.583 F(o=-1.5,f=0.18) USER MOD Set 9.1: A 1 TYR OH : rot 180:sc= 1.02 USER MOD Set 9.2: A 2 LYS NZ :NH3+ 164:sc= 1.32 (180deg=0.0254) USER MOD Single : A 1 TYR N :NH3+ -141:sc= 0.573 (180deg=0.0107) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 178:sc= 1.74 (180deg=1.58) USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -22:sc= 0.754 USER MOD Single : A 27 THR OG1 : rot -36:sc= -2.08 USER MOD Single : A 31 SER OG : rot 180:sc= -0.733 USER MOD Single : A 33 GLN : amide:sc= -0.112 K(o=-0.11,f=-14!) USER MOD Single : A 34 HIS : no HD1:sc= -0.18 K(o=-0.18,f=-0.8) USER MOD Single : A 43 SER OG : rot 101:sc= 1.15 USER MOD Single : A 51 SER OG : rot -170:sc= 0 USER MOD Single : A 52 THR OG1 : rot -30:sc= -0.0512 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -2.54! C(o=-2.5!,f=-7.3!) USER MOD Single : A 57 TYR OH : rot -177:sc= 0.593 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -129:sc= 0.233 USER MOD Single : A 69 SER OG : rot -48:sc= 0.607 USER MOD Single : A 70 GLN : amide:sc= -0.0476 K(o=-0.048,f=-1.6) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0354 USER MOD Single : A 73 ASN : amide:sc= -0.631 K(o=-0.63,f=-3.4!) USER MOD Single : A 76 CYS SG : rot 42:sc= 0.896 USER MOD Single : A 87 TYR OH : rot -176:sc= 1.17 USER MOD Single : A 88 ASN :FLIP amide:sc= 0.201 F(o=-3.7!,f=0.2) USER MOD Single : A 89 THR OG1 : rot -140:sc= -1.98 USER MOD Single : A 90 TYR OH : rot 15:sc= 0.992 USER MOD Single : A 92 SER OG : rot -122:sc= 0.281 USER MOD Single : A 93 LYS NZ :NH3+ -114:sc= 1.07 (180deg=-1.27) USER MOD Single : A 94 LYS NZ :NH3+ -178:sc= 2.25 (180deg=2.18) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.395 K(o=-0.4,f=-4.7!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 CYS SG : rot 180:sc= -3.56! USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 146:sc= 0.954 USER MOD Single : A 117 HIS : no HD1:sc= -0.807 X(o=-0.81,f=-0.48) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.496 K(o=-0.5,f=-1.2) USER MOD Single : A 121 LYS NZ :NH3+ -119:sc= 3.36 (180deg=-3.27) USER MOD Single : A 131 SER OG : rot -94:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 16.196 -1.502 -9.114 1.00 0.54 N ATOM 2 CA TYR A 1 14.847 -1.893 -8.623 1.00 0.51 C ATOM 3 C TYR A 1 14.454 -1.102 -7.370 1.00 0.43 C ATOM 4 O TYR A 1 13.326 -0.624 -7.268 1.00 0.59 O ATOM 5 CB TYR A 1 14.786 -3.401 -8.327 1.00 0.57 C ATOM 6 CG TYR A 1 15.725 -3.847 -7.230 1.00 0.55 C ATOM 7 CD1 TYR A 1 17.044 -4.170 -7.514 1.00 0.77 C ATOM 8 CD2 TYR A 1 15.300 -3.919 -5.910 1.00 0.53 C ATOM 9 CE1 TYR A 1 17.913 -4.559 -6.516 1.00 0.93 C ATOM 10 CE2 TYR A 1 16.163 -4.299 -4.905 1.00 0.65 C ATOM 11 CZ TYR A 1 17.469 -4.619 -5.213 1.00 0.85 C ATOM 12 OH TYR A 1 18.342 -4.973 -4.209 1.00 1.08 O ATOM 0 H1 TYR A 1 16.193 -1.477 -10.154 1.00 0.54 H new ATOM 0 H2 TYR A 1 16.440 -0.561 -8.745 1.00 0.54 H new ATOM 0 H3 TYR A 1 16.899 -2.195 -8.786 1.00 0.54 H new ATOM 0 HA TYR A 1 14.136 -1.658 -9.415 1.00 0.51 H new ATOM 0 HB2 TYR A 1 13.766 -3.666 -8.049 1.00 0.57 H new ATOM 0 HB3 TYR A 1 15.021 -3.950 -9.239 1.00 0.57 H new ATOM 0 HD1 TYR A 1 17.396 -4.116 -8.534 1.00 0.77 H new ATOM 0 HD2 TYR A 1 14.277 -3.673 -5.667 1.00 0.53 H new ATOM 0 HE1 TYR A 1 18.935 -4.815 -6.754 1.00 0.93 H new ATOM 0 HE2 TYR A 1 15.819 -4.346 -3.882 1.00 0.65 H new ATOM 0 HH TYR A 1 17.872 -4.966 -3.349 1.00 1.08 H new ATOM 24 N LYS A 2 15.383 -0.958 -6.420 1.00 0.35 N ATOM 25 CA LYS A 2 15.096 -0.230 -5.188 1.00 0.39 C ATOM 26 C LYS A 2 15.323 1.267 -5.373 1.00 0.34 C ATOM 27 O LYS A 2 16.427 1.707 -5.692 1.00 0.48 O ATOM 28 CB LYS A 2 15.925 -0.770 -4.002 1.00 0.54 C ATOM 29 CG LYS A 2 17.429 -0.497 -4.064 1.00 0.73 C ATOM 30 CD LYS A 2 18.144 -1.447 -5.013 1.00 1.05 C ATOM 31 CE LYS A 2 19.565 -1.757 -4.551 1.00 1.15 C ATOM 32 NZ LYS A 2 19.603 -2.758 -3.446 1.00 1.40 N ATOM 0 H LYS A 2 16.330 -1.333 -6.482 1.00 0.35 H new ATOM 0 HA LYS A 2 14.044 -0.389 -4.952 1.00 0.39 H new ATOM 0 HB2 LYS A 2 15.533 -0.336 -3.082 1.00 0.54 H new ATOM 0 HB3 LYS A 2 15.772 -1.847 -3.937 1.00 0.54 H new ATOM 0 HG2 LYS A 2 17.598 0.531 -4.385 1.00 0.73 H new ATOM 0 HG3 LYS A 2 17.856 -0.593 -3.066 1.00 0.73 H new ATOM 0 HD2 LYS A 2 17.578 -2.375 -5.091 1.00 1.05 H new ATOM 0 HD3 LYS A 2 18.175 -1.008 -6.010 1.00 1.05 H new ATOM 0 HE2 LYS A 2 20.144 -2.131 -5.395 1.00 1.15 H new ATOM 0 HE3 LYS A 2 20.044 -0.836 -4.219 1.00 1.15 H new ATOM 0 HZ1 LYS A 2 20.568 -3.135 -3.352 1.00 1.40 H new ATOM 0 HZ2 LYS A 2 19.321 -2.302 -2.555 1.00 1.40 H new ATOM 0 HZ3 LYS A 2 18.947 -3.536 -3.660 1.00 1.40 H new ATOM 46 N LYS A 3 14.258 2.037 -5.201 1.00 0.28 N ATOM 47 CA LYS A 3 14.312 3.486 -5.337 1.00 0.26 C ATOM 48 C LYS A 3 13.222 4.124 -4.483 1.00 0.26 C ATOM 49 O LYS A 3 12.243 3.458 -4.133 1.00 0.29 O ATOM 50 CB LYS A 3 14.137 3.897 -6.804 1.00 0.30 C ATOM 51 CG LYS A 3 15.360 3.630 -7.667 1.00 0.49 C ATOM 52 CD LYS A 3 15.171 4.151 -9.084 1.00 0.55 C ATOM 53 CE LYS A 3 16.494 4.233 -9.831 1.00 0.78 C ATOM 54 NZ LYS A 3 17.057 2.888 -10.139 1.00 1.18 N ATOM 0 H LYS A 3 13.334 1.676 -4.964 1.00 0.28 H new ATOM 0 HA LYS A 3 15.287 3.833 -4.996 1.00 0.26 H new ATOM 0 HB2 LYS A 3 13.285 3.361 -7.222 1.00 0.30 H new ATOM 0 HB3 LYS A 3 13.898 4.960 -6.848 1.00 0.30 H new ATOM 0 HG2 LYS A 3 16.233 4.104 -7.218 1.00 0.49 H new ATOM 0 HG3 LYS A 3 15.558 2.559 -7.696 1.00 0.49 H new ATOM 0 HD2 LYS A 3 14.487 3.497 -9.625 1.00 0.55 H new ATOM 0 HD3 LYS A 3 14.709 5.138 -9.051 1.00 0.55 H new ATOM 0 HE2 LYS A 3 16.350 4.785 -10.760 1.00 0.78 H new ATOM 0 HE3 LYS A 3 17.211 4.796 -9.234 1.00 0.78 H new ATOM 0 HZ1 LYS A 3 17.957 2.997 -10.648 1.00 1.18 H new ATOM 0 HZ2 LYS A 3 17.221 2.369 -9.253 1.00 1.18 H new ATOM 0 HZ3 LYS A 3 16.386 2.358 -10.732 1.00 1.18 H new ATOM 68 N PRO A 4 13.383 5.408 -4.121 1.00 0.28 N ATOM 69 CA PRO A 4 12.398 6.132 -3.307 1.00 0.30 C ATOM 70 C PRO A 4 11.005 6.099 -3.935 1.00 0.27 C ATOM 71 O PRO A 4 10.673 6.921 -4.788 1.00 0.35 O ATOM 72 CB PRO A 4 12.949 7.563 -3.259 1.00 0.35 C ATOM 73 CG PRO A 4 14.407 7.414 -3.520 1.00 0.43 C ATOM 74 CD PRO A 4 14.532 6.260 -4.474 1.00 0.37 C ATOM 0 HA PRO A 4 12.273 5.689 -2.319 1.00 0.30 H new ATOM 0 HB2 PRO A 4 12.475 8.196 -4.009 1.00 0.35 H new ATOM 0 HB3 PRO A 4 12.765 8.026 -2.289 1.00 0.35 H new ATOM 0 HG2 PRO A 4 14.823 8.325 -3.950 1.00 0.43 H new ATOM 0 HG3 PRO A 4 14.952 7.220 -2.597 1.00 0.43 H new ATOM 0 HD2 PRO A 4 14.486 6.589 -5.512 1.00 0.37 H new ATOM 0 HD3 PRO A 4 15.478 5.733 -4.348 1.00 0.37 H new ATOM 82 N LYS A 5 10.208 5.117 -3.530 1.00 0.24 N ATOM 83 CA LYS A 5 8.855 4.963 -4.041 1.00 0.22 C ATOM 84 C LYS A 5 7.850 5.593 -3.080 1.00 0.25 C ATOM 85 O LYS A 5 8.160 5.841 -1.918 1.00 0.48 O ATOM 86 CB LYS A 5 8.545 3.471 -4.253 1.00 0.24 C ATOM 87 CG LYS A 5 7.201 3.198 -4.910 1.00 0.24 C ATOM 88 CD LYS A 5 7.145 1.793 -5.501 1.00 0.34 C ATOM 89 CE LYS A 5 5.810 1.516 -6.176 1.00 0.35 C ATOM 90 NZ LYS A 5 5.893 0.392 -7.151 1.00 0.40 N ATOM 0 H LYS A 5 10.480 4.412 -2.845 1.00 0.24 H new ATOM 0 HA LYS A 5 8.775 5.476 -4.999 1.00 0.22 H new ATOM 0 HB2 LYS A 5 9.332 3.032 -4.866 1.00 0.24 H new ATOM 0 HB3 LYS A 5 8.574 2.965 -3.288 1.00 0.24 H new ATOM 0 HG2 LYS A 5 6.404 3.317 -4.176 1.00 0.24 H new ATOM 0 HG3 LYS A 5 7.023 3.932 -5.696 1.00 0.24 H new ATOM 0 HD2 LYS A 5 7.950 1.671 -6.225 1.00 0.34 H new ATOM 0 HD3 LYS A 5 7.312 1.060 -4.712 1.00 0.34 H new ATOM 0 HE2 LYS A 5 5.063 1.282 -5.417 1.00 0.35 H new ATOM 0 HE3 LYS A 5 5.471 2.416 -6.690 1.00 0.35 H new ATOM 0 HZ1 LYS A 5 4.953 0.218 -7.561 1.00 0.40 H new ATOM 0 HZ2 LYS A 5 6.561 0.639 -7.909 1.00 0.40 H new ATOM 0 HZ3 LYS A 5 6.223 -0.466 -6.665 1.00 0.40 H new ATOM 104 N LEU A 6 6.652 5.866 -3.577 1.00 0.22 N ATOM 105 CA LEU A 6 5.594 6.451 -2.761 1.00 0.23 C ATOM 106 C LEU A 6 4.258 5.803 -3.110 1.00 0.22 C ATOM 107 O LEU A 6 4.114 5.217 -4.188 1.00 0.25 O ATOM 108 CB LEU A 6 5.526 7.973 -2.957 1.00 0.27 C ATOM 109 CG LEU A 6 4.774 8.458 -4.204 1.00 0.32 C ATOM 110 CD1 LEU A 6 4.580 9.964 -4.158 1.00 0.45 C ATOM 111 CD2 LEU A 6 5.515 8.058 -5.472 1.00 0.50 C ATOM 0 H LEU A 6 6.386 5.691 -4.546 1.00 0.22 H new ATOM 0 HA LEU A 6 5.817 6.262 -1.711 1.00 0.23 H new ATOM 0 HB2 LEU A 6 5.053 8.412 -2.078 1.00 0.27 H new ATOM 0 HB3 LEU A 6 6.544 8.360 -2.998 1.00 0.27 H new ATOM 0 HG LEU A 6 3.794 7.982 -4.215 1.00 0.32 H new ATOM 0 HD11 LEU A 6 4.045 10.289 -5.050 1.00 0.45 H new ATOM 0 HD12 LEU A 6 4.003 10.230 -3.272 1.00 0.45 H new ATOM 0 HD13 LEU A 6 5.552 10.455 -4.119 1.00 0.45 H new ATOM 0 HD21 LEU A 6 4.963 8.412 -6.343 1.00 0.50 H new ATOM 0 HD22 LEU A 6 6.510 8.502 -5.467 1.00 0.50 H new ATOM 0 HD23 LEU A 6 5.603 6.972 -5.515 1.00 0.50 H new ATOM 123 N LEU A 7 3.294 5.902 -2.200 1.00 0.24 N ATOM 124 CA LEU A 7 1.972 5.323 -2.408 1.00 0.26 C ATOM 125 C LEU A 7 0.910 6.417 -2.361 1.00 0.22 C ATOM 126 O LEU A 7 0.355 6.718 -1.303 1.00 0.24 O ATOM 127 CB LEU A 7 1.686 4.250 -1.348 1.00 0.32 C ATOM 128 CG LEU A 7 0.295 3.611 -1.413 1.00 0.36 C ATOM 129 CD1 LEU A 7 0.135 2.799 -2.690 1.00 0.44 C ATOM 130 CD2 LEU A 7 0.053 2.738 -0.189 1.00 0.46 C ATOM 0 H LEU A 7 3.405 6.381 -1.306 1.00 0.24 H new ATOM 0 HA LEU A 7 1.945 4.851 -3.390 1.00 0.26 H new ATOM 0 HB2 LEU A 7 2.433 3.462 -1.443 1.00 0.32 H new ATOM 0 HB3 LEU A 7 1.816 4.695 -0.362 1.00 0.32 H new ATOM 0 HG LEU A 7 -0.449 4.408 -1.421 1.00 0.36 H new ATOM 0 HD11 LEU A 7 -0.860 2.354 -2.716 1.00 0.44 H new ATOM 0 HD12 LEU A 7 0.264 3.451 -3.554 1.00 0.44 H new ATOM 0 HD13 LEU A 7 0.886 2.010 -2.716 1.00 0.44 H new ATOM 0 HD21 LEU A 7 -0.940 2.292 -0.251 1.00 0.46 H new ATOM 0 HD22 LEU A 7 0.804 1.949 -0.151 1.00 0.46 H new ATOM 0 HD23 LEU A 7 0.121 3.348 0.712 1.00 0.46 H new ATOM 142 N TYR A 8 0.642 7.015 -3.514 1.00 0.22 N ATOM 143 CA TYR A 8 -0.341 8.081 -3.608 1.00 0.21 C ATOM 144 C TYR A 8 -1.728 7.515 -3.886 1.00 0.21 C ATOM 145 O TYR A 8 -1.884 6.584 -4.678 1.00 0.29 O ATOM 146 CB TYR A 8 0.056 9.070 -4.707 1.00 0.24 C ATOM 147 CG TYR A 8 -0.370 10.492 -4.424 1.00 0.28 C ATOM 148 CD1 TYR A 8 -1.641 10.944 -4.762 1.00 0.37 C ATOM 149 CD2 TYR A 8 0.503 11.383 -3.817 1.00 0.46 C ATOM 150 CE1 TYR A 8 -2.026 12.244 -4.500 1.00 0.46 C ATOM 151 CE2 TYR A 8 0.126 12.682 -3.553 1.00 0.56 C ATOM 152 CZ TYR A 8 -1.139 13.109 -3.895 1.00 0.50 C ATOM 153 OH TYR A 8 -1.517 14.402 -3.627 1.00 0.63 O ATOM 0 H TYR A 8 1.093 6.778 -4.397 1.00 0.22 H new ATOM 0 HA TYR A 8 -0.370 8.606 -2.653 1.00 0.21 H new ATOM 0 HB2 TYR A 8 1.138 9.042 -4.835 1.00 0.24 H new ATOM 0 HB3 TYR A 8 -0.385 8.748 -5.650 1.00 0.24 H new ATOM 0 HD1 TYR A 8 -2.337 10.268 -5.236 1.00 0.37 H new ATOM 0 HD2 TYR A 8 1.495 11.053 -3.547 1.00 0.46 H new ATOM 0 HE1 TYR A 8 -3.016 12.581 -4.768 1.00 0.46 H new ATOM 0 HE2 TYR A 8 0.819 13.362 -3.080 1.00 0.56 H new ATOM 0 HH TYR A 8 -2.452 14.415 -3.333 1.00 0.63 H new ATOM 163 N CYS A 9 -2.731 8.076 -3.226 1.00 0.23 N ATOM 164 CA CYS A 9 -4.107 7.637 -3.404 1.00 0.27 C ATOM 165 C CYS A 9 -4.971 8.806 -3.866 1.00 0.28 C ATOM 166 O CYS A 9 -5.029 9.845 -3.202 1.00 0.30 O ATOM 167 CB CYS A 9 -4.651 7.061 -2.095 1.00 0.30 C ATOM 168 SG CYS A 9 -3.613 5.769 -1.367 1.00 0.37 S ATOM 0 H CYS A 9 -2.616 8.840 -2.559 1.00 0.23 H new ATOM 0 HA CYS A 9 -4.134 6.857 -4.165 1.00 0.27 H new ATOM 0 HB2 CYS A 9 -4.764 7.870 -1.374 1.00 0.30 H new ATOM 0 HB3 CYS A 9 -5.646 6.654 -2.276 1.00 0.30 H new ATOM 0 HG CYS A 9 -4.155 5.347 -0.263 1.00 0.37 H new ATOM 174 N SER A 10 -5.630 8.645 -5.007 1.00 0.37 N ATOM 175 CA SER A 10 -6.487 9.694 -5.543 1.00 0.42 C ATOM 176 C SER A 10 -7.757 9.831 -4.706 1.00 0.39 C ATOM 177 O SER A 10 -8.854 9.474 -5.145 1.00 0.51 O ATOM 178 CB SER A 10 -6.834 9.413 -7.007 1.00 0.56 C ATOM 179 OG SER A 10 -5.679 9.477 -7.828 1.00 1.23 O ATOM 0 H SER A 10 -5.587 7.800 -5.577 1.00 0.37 H new ATOM 0 HA SER A 10 -5.942 10.637 -5.496 1.00 0.42 H new ATOM 0 HB2 SER A 10 -7.290 8.427 -7.093 1.00 0.56 H new ATOM 0 HB3 SER A 10 -7.571 10.137 -7.354 1.00 0.56 H new ATOM 0 HG SER A 10 -5.928 9.292 -8.758 1.00 1.23 H new ATOM 185 N ASN A 11 -7.597 10.324 -3.483 1.00 0.33 N ATOM 186 CA ASN A 11 -8.730 10.517 -2.587 1.00 0.36 C ATOM 187 C ASN A 11 -8.601 11.833 -1.821 1.00 0.35 C ATOM 188 O ASN A 11 -9.035 11.944 -0.672 1.00 0.47 O ATOM 189 CB ASN A 11 -8.849 9.341 -1.615 1.00 0.44 C ATOM 190 CG ASN A 11 -10.244 9.223 -1.030 1.00 0.55 C ATOM 191 OD1 ASN A 11 -10.442 9.364 0.179 1.00 0.63 O ATOM 192 ND2 ASN A 11 -11.226 8.971 -1.884 1.00 0.75 N ATOM 0 H ASN A 11 -6.696 10.597 -3.090 1.00 0.33 H new ATOM 0 HA ASN A 11 -9.637 10.563 -3.190 1.00 0.36 H new ATOM 0 HB2 ASN A 11 -8.594 8.416 -2.133 1.00 0.44 H new ATOM 0 HB3 ASN A 11 -8.127 9.464 -0.808 1.00 0.44 H new ATOM 0 HD21 ASN A 11 -12.185 8.887 -1.548 1.00 0.75 H new ATOM 0 HD22 ASN A 11 -11.022 8.861 -2.877 1.00 0.75 H new ATOM 199 N GLY A 12 -8.023 12.837 -2.476 1.00 0.38 N ATOM 200 CA GLY A 12 -7.844 14.135 -1.854 1.00 0.45 C ATOM 201 C GLY A 12 -6.636 14.179 -0.941 1.00 0.46 C ATOM 202 O GLY A 12 -6.451 13.299 -0.100 1.00 0.87 O ATOM 0 H GLY A 12 -7.674 12.772 -3.432 1.00 0.38 H new ATOM 0 HA2 GLY A 12 -7.738 14.894 -2.629 1.00 0.45 H new ATOM 0 HA3 GLY A 12 -8.737 14.386 -1.282 1.00 0.45 H new ATOM 206 N GLY A 13 -5.809 15.204 -1.111 1.00 0.38 N ATOM 207 CA GLY A 13 -4.626 15.346 -0.288 1.00 0.36 C ATOM 208 C GLY A 13 -3.447 14.570 -0.842 1.00 0.31 C ATOM 209 O GLY A 13 -3.402 14.263 -2.035 1.00 0.40 O ATOM 0 H GLY A 13 -5.938 15.940 -1.806 1.00 0.38 H new ATOM 0 HA2 GLY A 13 -4.362 16.401 -0.213 1.00 0.36 H new ATOM 0 HA3 GLY A 13 -4.844 15.000 0.722 1.00 0.36 H new ATOM 213 N HIS A 14 -2.493 14.259 0.024 1.00 0.26 N ATOM 214 CA HIS A 14 -1.299 13.515 -0.363 1.00 0.24 C ATOM 215 C HIS A 14 -1.128 12.315 0.567 1.00 0.22 C ATOM 216 O HIS A 14 -1.553 12.364 1.718 1.00 0.30 O ATOM 217 CB HIS A 14 -0.063 14.423 -0.304 1.00 0.28 C ATOM 218 CG HIS A 14 -0.101 15.583 -1.259 1.00 0.38 C ATOM 219 ND1 HIS A 14 0.569 15.802 -2.416 1.00 0.60 N flip ATOM 220 CD2 HIS A 14 -0.888 16.702 -1.066 1.00 0.53 C flip ATOM 221 CE1 HIS A 14 0.177 17.027 -2.894 1.00 0.72 C flip ATOM 222 NE2 HIS A 14 -0.700 17.549 -2.061 1.00 0.66 N flip ATOM 0 H HIS A 14 -2.523 14.513 1.011 1.00 0.26 H new ATOM 0 HA HIS A 14 -1.410 13.160 -1.388 1.00 0.24 H new ATOM 0 HB2 HIS A 14 0.043 14.806 0.711 1.00 0.28 H new ATOM 0 HB3 HIS A 14 0.823 13.824 -0.513 1.00 0.28 H new ATOM 0 HD2 HIS A 14 -1.554 16.859 -0.230 1.00 0.53 H new ATOM 0 HE1 HIS A 14 0.530 17.488 -3.805 1.00 0.72 H new ATOM 0 HE2 HIS A 14 -1.157 18.455 -2.167 1.00 0.66 H new ATOM 231 N PHE A 15 -0.513 11.241 0.078 1.00 0.20 N ATOM 232 CA PHE A 15 -0.326 10.038 0.886 1.00 0.21 C ATOM 233 C PHE A 15 1.077 9.468 0.707 1.00 0.21 C ATOM 234 O PHE A 15 1.522 9.265 -0.425 1.00 0.23 O ATOM 235 CB PHE A 15 -1.362 8.974 0.503 1.00 0.27 C ATOM 236 CG PHE A 15 -2.788 9.433 0.626 1.00 0.29 C ATOM 237 CD1 PHE A 15 -3.371 10.214 -0.363 1.00 0.31 C ATOM 238 CD2 PHE A 15 -3.549 9.082 1.729 1.00 0.43 C ATOM 239 CE1 PHE A 15 -4.682 10.634 -0.251 1.00 0.37 C ATOM 240 CE2 PHE A 15 -4.861 9.499 1.844 1.00 0.50 C ATOM 241 CZ PHE A 15 -5.429 10.275 0.854 1.00 0.45 C ATOM 0 H PHE A 15 -0.137 11.178 -0.868 1.00 0.20 H new ATOM 0 HA PHE A 15 -0.458 10.316 1.932 1.00 0.21 H new ATOM 0 HB2 PHE A 15 -1.180 8.659 -0.525 1.00 0.27 H new ATOM 0 HB3 PHE A 15 -1.218 8.098 1.135 1.00 0.27 H new ATOM 0 HD1 PHE A 15 -2.792 10.496 -1.230 1.00 0.31 H new ATOM 0 HD2 PHE A 15 -3.112 8.475 2.508 1.00 0.43 H new ATOM 0 HE1 PHE A 15 -5.123 11.243 -1.027 1.00 0.37 H new ATOM 0 HE2 PHE A 15 -5.443 9.218 2.709 1.00 0.50 H new ATOM 0 HZ PHE A 15 -6.455 10.601 0.943 1.00 0.45 H new ATOM 251 N LEU A 16 1.772 9.235 1.827 1.00 0.20 N ATOM 252 CA LEU A 16 3.127 8.670 1.798 1.00 0.22 C ATOM 253 C LEU A 16 3.796 8.692 3.180 1.00 0.23 C ATOM 254 O LEU A 16 4.980 9.011 3.300 1.00 0.33 O ATOM 255 CB LEU A 16 4.011 9.407 0.774 1.00 0.23 C ATOM 256 CG LEU A 16 3.925 10.937 0.797 1.00 0.24 C ATOM 257 CD1 LEU A 16 4.822 11.517 1.883 1.00 0.46 C ATOM 258 CD2 LEU A 16 4.287 11.509 -0.566 1.00 0.45 C ATOM 0 H LEU A 16 1.419 9.429 2.764 1.00 0.20 H new ATOM 0 HA LEU A 16 3.024 7.628 1.495 1.00 0.22 H new ATOM 0 HB2 LEU A 16 5.048 9.118 0.943 1.00 0.23 H new ATOM 0 HB3 LEU A 16 3.742 9.062 -0.224 1.00 0.23 H new ATOM 0 HG LEU A 16 2.897 11.218 1.027 1.00 0.24 H new ATOM 0 HD11 LEU A 16 4.743 12.604 1.878 1.00 0.46 H new ATOM 0 HD12 LEU A 16 4.510 11.135 2.855 1.00 0.46 H new ATOM 0 HD13 LEU A 16 5.856 11.228 1.694 1.00 0.46 H new ATOM 0 HD21 LEU A 16 4.221 12.597 -0.533 1.00 0.45 H new ATOM 0 HD22 LEU A 16 5.304 11.215 -0.826 1.00 0.45 H new ATOM 0 HD23 LEU A 16 3.596 11.126 -1.317 1.00 0.45 H new ATOM 270 N ARG A 17 3.059 8.330 4.226 1.00 0.24 N ATOM 271 CA ARG A 17 3.627 8.320 5.568 1.00 0.26 C ATOM 272 C ARG A 17 3.084 7.159 6.391 1.00 0.22 C ATOM 273 O ARG A 17 1.901 6.825 6.317 1.00 0.29 O ATOM 274 CB ARG A 17 3.366 9.642 6.289 1.00 0.34 C ATOM 275 CG ARG A 17 3.960 9.689 7.689 1.00 0.47 C ATOM 276 CD ARG A 17 3.997 11.104 8.240 1.00 0.53 C ATOM 277 NE ARG A 17 2.661 11.683 8.357 1.00 0.54 N ATOM 278 CZ ARG A 17 2.419 12.970 8.613 1.00 0.72 C ATOM 279 NH1 ARG A 17 3.427 13.813 8.833 1.00 0.85 N ATOM 280 NH2 ARG A 17 1.166 13.406 8.654 1.00 0.86 N ATOM 0 H ARG A 17 2.081 8.044 4.172 1.00 0.24 H new ATOM 0 HA ARG A 17 4.704 8.191 5.461 1.00 0.26 H new ATOM 0 HB2 ARG A 17 3.780 10.459 5.698 1.00 0.34 H new ATOM 0 HB3 ARG A 17 2.291 9.808 6.352 1.00 0.34 H new ATOM 0 HG2 ARG A 17 3.373 9.055 8.354 1.00 0.47 H new ATOM 0 HG3 ARG A 17 4.970 9.280 7.669 1.00 0.47 H new ATOM 0 HD2 ARG A 17 4.476 11.099 9.219 1.00 0.53 H new ATOM 0 HD3 ARG A 17 4.607 11.730 7.589 1.00 0.53 H new ATOM 0 HE ARG A 17 1.861 11.063 8.235 1.00 0.54 H new ATOM 0 HH11 ARG A 17 4.389 13.476 8.806 1.00 0.85 H new ATOM 0 HH12 ARG A 17 3.237 14.796 9.028 1.00 0.85 H new ATOM 0 HH21 ARG A 17 0.395 12.758 8.490 1.00 0.86 H new ATOM 0 HH22 ARG A 17 0.974 14.389 8.849 1.00 0.86 H new ATOM 294 N ILE A 18 3.973 6.536 7.156 1.00 0.21 N ATOM 295 CA ILE A 18 3.617 5.415 8.010 1.00 0.20 C ATOM 296 C ILE A 18 4.214 5.604 9.406 1.00 0.20 C ATOM 297 O ILE A 18 5.400 5.922 9.547 1.00 0.26 O ATOM 298 CB ILE A 18 4.098 4.069 7.411 1.00 0.26 C ATOM 299 CG1 ILE A 18 3.638 2.890 8.275 1.00 0.29 C ATOM 300 CG2 ILE A 18 5.613 4.058 7.258 1.00 0.33 C ATOM 301 CD1 ILE A 18 2.162 2.582 8.144 1.00 0.33 C ATOM 0 H ILE A 18 4.959 6.795 7.200 1.00 0.21 H new ATOM 0 HA ILE A 18 2.530 5.385 8.081 1.00 0.20 H new ATOM 0 HB ILE A 18 3.651 3.962 6.423 1.00 0.26 H new ATOM 0 HG12 ILE A 18 4.211 2.004 8.001 1.00 0.29 H new ATOM 0 HG13 ILE A 18 3.864 3.106 9.319 1.00 0.29 H new ATOM 0 HG21 ILE A 18 5.929 3.104 6.836 1.00 0.33 H new ATOM 0 HG22 ILE A 18 5.918 4.867 6.594 1.00 0.33 H new ATOM 0 HG23 ILE A 18 6.078 4.195 8.234 1.00 0.33 H new ATOM 0 HD11 ILE A 18 1.909 1.737 8.784 1.00 0.33 H new ATOM 0 HD12 ILE A 18 1.580 3.453 8.446 1.00 0.33 H new ATOM 0 HD13 ILE A 18 1.933 2.334 7.108 1.00 0.33 H new ATOM 313 N LEU A 19 3.376 5.434 10.424 1.00 0.21 N ATOM 314 CA LEU A 19 3.800 5.576 11.812 1.00 0.24 C ATOM 315 C LEU A 19 4.262 4.227 12.358 1.00 0.23 C ATOM 316 O LEU A 19 3.556 3.223 12.210 1.00 0.22 O ATOM 317 CB LEU A 19 2.658 6.126 12.681 1.00 0.30 C ATOM 318 CG LEU A 19 2.373 7.626 12.532 1.00 0.40 C ATOM 319 CD1 LEU A 19 3.600 8.444 12.904 1.00 0.54 C ATOM 320 CD2 LEU A 19 1.921 7.953 11.114 1.00 0.48 C ATOM 0 H LEU A 19 2.391 5.196 10.311 1.00 0.21 H new ATOM 0 HA LEU A 19 4.629 6.283 11.845 1.00 0.24 H new ATOM 0 HB2 LEU A 19 1.747 5.576 12.443 1.00 0.30 H new ATOM 0 HB3 LEU A 19 2.890 5.921 13.726 1.00 0.30 H new ATOM 0 HG LEU A 19 1.565 7.888 13.215 1.00 0.40 H new ATOM 0 HD11 LEU A 19 3.378 9.505 12.792 1.00 0.54 H new ATOM 0 HD12 LEU A 19 3.874 8.238 13.939 1.00 0.54 H new ATOM 0 HD13 LEU A 19 4.429 8.176 12.249 1.00 0.54 H new ATOM 0 HD21 LEU A 19 1.725 9.022 11.032 1.00 0.48 H new ATOM 0 HD22 LEU A 19 2.704 7.673 10.409 1.00 0.48 H new ATOM 0 HD23 LEU A 19 1.011 7.398 10.885 1.00 0.48 H new ATOM 332 N PRO A 20 5.446 4.186 13.003 1.00 0.29 N ATOM 333 CA PRO A 20 6.013 2.951 13.561 1.00 0.33 C ATOM 334 C PRO A 20 4.998 2.164 14.387 1.00 0.30 C ATOM 335 O PRO A 20 4.984 0.929 14.362 1.00 0.36 O ATOM 336 CB PRO A 20 7.172 3.440 14.448 1.00 0.41 C ATOM 337 CG PRO A 20 7.033 4.927 14.517 1.00 0.55 C ATOM 338 CD PRO A 20 6.319 5.337 13.260 1.00 0.38 C ATOM 0 HA PRO A 20 6.330 2.266 12.775 1.00 0.33 H new ATOM 0 HB2 PRO A 20 7.118 2.996 15.442 1.00 0.41 H new ATOM 0 HB3 PRO A 20 8.135 3.157 14.024 1.00 0.41 H new ATOM 0 HG2 PRO A 20 6.469 5.225 15.401 1.00 0.55 H new ATOM 0 HG3 PRO A 20 8.009 5.407 14.585 1.00 0.55 H new ATOM 0 HD2 PRO A 20 5.749 6.256 13.398 1.00 0.38 H new ATOM 0 HD3 PRO A 20 7.013 5.512 12.438 1.00 0.38 H new ATOM 346 N ASP A 21 4.154 2.888 15.114 1.00 0.27 N ATOM 347 CA ASP A 21 3.119 2.272 15.943 1.00 0.30 C ATOM 348 C ASP A 21 2.236 1.341 15.110 1.00 0.29 C ATOM 349 O ASP A 21 1.691 0.359 15.624 1.00 0.41 O ATOM 350 CB ASP A 21 2.256 3.351 16.608 1.00 0.36 C ATOM 351 CG ASP A 21 3.027 4.178 17.618 1.00 0.64 C ATOM 352 OD1 ASP A 21 3.679 5.162 17.209 1.00 0.95 O ATOM 353 OD2 ASP A 21 2.997 3.840 18.820 1.00 0.96 O ATOM 0 H ASP A 21 4.165 3.907 15.147 1.00 0.27 H new ATOM 0 HA ASP A 21 3.612 1.683 16.716 1.00 0.30 H new ATOM 0 HB2 ASP A 21 1.850 4.009 15.840 1.00 0.36 H new ATOM 0 HB3 ASP A 21 1.408 2.878 17.104 1.00 0.36 H new ATOM 358 N GLY A 22 2.110 1.648 13.818 1.00 0.24 N ATOM 359 CA GLY A 22 1.298 0.840 12.934 1.00 0.27 C ATOM 360 C GLY A 22 0.122 1.614 12.372 1.00 0.27 C ATOM 361 O GLY A 22 -1.031 1.243 12.590 1.00 0.35 O ATOM 0 H GLY A 22 2.560 2.447 13.371 1.00 0.24 H new ATOM 0 HA2 GLY A 22 1.914 0.471 12.114 1.00 0.27 H new ATOM 0 HA3 GLY A 22 0.932 -0.032 13.475 1.00 0.27 H new ATOM 365 N THR A 23 0.406 2.701 11.659 1.00 0.24 N ATOM 366 CA THR A 23 -0.645 3.521 11.064 1.00 0.27 C ATOM 367 C THR A 23 -0.108 4.335 9.887 1.00 0.22 C ATOM 368 O THR A 23 0.970 4.924 9.972 1.00 0.25 O ATOM 369 CB THR A 23 -1.263 4.483 12.106 1.00 0.34 C ATOM 370 OG1 THR A 23 -1.728 3.753 13.255 1.00 0.47 O ATOM 371 CG2 THR A 23 -2.422 5.271 11.506 1.00 0.43 C ATOM 0 H THR A 23 1.353 3.034 11.480 1.00 0.24 H new ATOM 0 HA THR A 23 -1.417 2.840 10.706 1.00 0.27 H new ATOM 0 HB THR A 23 -0.484 5.181 12.412 1.00 0.34 H new ATOM 0 HG1 THR A 23 -1.877 2.816 13.009 1.00 0.47 H new ATOM 0 HG21 THR A 23 -2.837 5.939 12.261 1.00 0.43 H new ATOM 0 HG22 THR A 23 -2.064 5.857 10.660 1.00 0.43 H new ATOM 0 HG23 THR A 23 -3.195 4.581 11.168 1.00 0.43 H new ATOM 379 N VAL A 24 -0.856 4.344 8.789 1.00 0.25 N ATOM 380 CA VAL A 24 -0.479 5.095 7.596 1.00 0.24 C ATOM 381 C VAL A 24 -1.437 6.271 7.415 1.00 0.28 C ATOM 382 O VAL A 24 -2.653 6.109 7.570 1.00 0.37 O ATOM 383 CB VAL A 24 -0.485 4.198 6.332 1.00 0.29 C ATOM 384 CG1 VAL A 24 -1.858 3.578 6.104 1.00 0.37 C ATOM 385 CG2 VAL A 24 -0.034 4.980 5.105 1.00 0.32 C ATOM 0 H VAL A 24 -1.735 3.835 8.700 1.00 0.25 H new ATOM 0 HA VAL A 24 0.538 5.465 7.729 1.00 0.24 H new ATOM 0 HB VAL A 24 0.226 3.388 6.497 1.00 0.29 H new ATOM 0 HG11 VAL A 24 -1.832 2.954 5.211 1.00 0.37 H new ATOM 0 HG12 VAL A 24 -2.129 2.967 6.965 1.00 0.37 H new ATOM 0 HG13 VAL A 24 -2.597 4.368 5.973 1.00 0.37 H new ATOM 0 HG21 VAL A 24 -0.047 4.327 4.232 1.00 0.32 H new ATOM 0 HG22 VAL A 24 -0.709 5.820 4.940 1.00 0.32 H new ATOM 0 HG23 VAL A 24 0.978 5.353 5.263 1.00 0.32 H new ATOM 395 N ASP A 25 -0.902 7.447 7.100 1.00 0.28 N ATOM 396 CA ASP A 25 -1.734 8.637 6.933 1.00 0.35 C ATOM 397 C ASP A 25 -1.334 9.440 5.691 1.00 0.27 C ATOM 398 O ASP A 25 -0.471 9.018 4.913 1.00 0.26 O ATOM 399 CB ASP A 25 -1.661 9.517 8.193 1.00 0.50 C ATOM 400 CG ASP A 25 -0.459 10.448 8.214 1.00 0.53 C ATOM 401 OD1 ASP A 25 0.689 9.959 8.194 1.00 1.28 O ATOM 402 OD2 ASP A 25 -0.661 11.680 8.270 1.00 1.19 O ATOM 0 H ASP A 25 0.096 7.602 6.956 1.00 0.28 H new ATOM 0 HA ASP A 25 -2.763 8.307 6.789 1.00 0.35 H new ATOM 0 HB2 ASP A 25 -2.572 10.111 8.265 1.00 0.50 H new ATOM 0 HB3 ASP A 25 -1.629 8.875 9.073 1.00 0.50 H new ATOM 407 N GLY A 26 -1.982 10.589 5.508 1.00 0.27 N ATOM 408 CA GLY A 26 -1.706 11.437 4.364 1.00 0.26 C ATOM 409 C GLY A 26 -0.547 12.385 4.602 1.00 0.32 C ATOM 410 O GLY A 26 -0.445 13.008 5.661 1.00 0.72 O ATOM 0 H GLY A 26 -2.699 10.948 6.139 1.00 0.27 H new ATOM 0 HA2 GLY A 26 -1.486 10.812 3.499 1.00 0.26 H new ATOM 0 HA3 GLY A 26 -2.598 12.015 4.122 1.00 0.26 H new ATOM 414 N THR A 27 0.329 12.496 3.618 1.00 0.25 N ATOM 415 CA THR A 27 1.492 13.361 3.710 1.00 0.23 C ATOM 416 C THR A 27 2.008 13.694 2.311 1.00 0.23 C ATOM 417 O THR A 27 1.704 12.983 1.353 1.00 0.26 O ATOM 418 CB THR A 27 2.612 12.692 4.535 1.00 0.30 C ATOM 419 OG1 THR A 27 2.058 12.012 5.672 1.00 0.60 O ATOM 420 CG2 THR A 27 3.634 13.717 5.007 1.00 0.65 C ATOM 0 H THR A 27 0.254 11.990 2.735 1.00 0.25 H new ATOM 0 HA THR A 27 1.194 14.281 4.214 1.00 0.23 H new ATOM 0 HB THR A 27 3.113 11.971 3.889 1.00 0.30 H new ATOM 0 HG1 THR A 27 1.296 12.522 6.019 1.00 0.60 H new ATOM 0 HG21 THR A 27 4.411 13.217 5.585 1.00 0.65 H new ATOM 0 HG22 THR A 27 4.084 14.207 4.143 1.00 0.65 H new ATOM 0 HG23 THR A 27 3.140 14.462 5.631 1.00 0.65 H new ATOM 428 N ARG A 28 2.767 14.776 2.191 1.00 0.26 N ATOM 429 CA ARG A 28 3.303 15.189 0.902 1.00 0.29 C ATOM 430 C ARG A 28 4.827 15.241 0.940 1.00 0.29 C ATOM 431 O ARG A 28 5.414 15.747 1.899 1.00 0.39 O ATOM 432 CB ARG A 28 2.727 16.556 0.503 1.00 0.36 C ATOM 433 CG ARG A 28 3.445 17.740 1.138 1.00 0.44 C ATOM 434 CD ARG A 28 2.729 19.055 0.862 1.00 0.57 C ATOM 435 NE ARG A 28 1.449 19.137 1.566 1.00 0.66 N ATOM 436 CZ ARG A 28 1.328 19.354 2.881 1.00 0.85 C ATOM 437 NH1 ARG A 28 2.409 19.527 3.641 1.00 1.04 N ATOM 438 NH2 ARG A 28 0.121 19.391 3.436 1.00 1.12 N ATOM 0 H ARG A 28 3.025 15.382 2.970 1.00 0.26 H new ATOM 0 HA ARG A 28 3.009 14.453 0.154 1.00 0.29 H new ATOM 0 HB2 ARG A 28 2.773 16.656 -0.581 1.00 0.36 H new ATOM 0 HB3 ARG A 28 1.674 16.591 0.782 1.00 0.36 H new ATOM 0 HG2 ARG A 28 3.517 17.585 2.215 1.00 0.44 H new ATOM 0 HG3 ARG A 28 4.464 17.794 0.755 1.00 0.44 H new ATOM 0 HD2 ARG A 28 3.365 19.886 1.167 1.00 0.57 H new ATOM 0 HD3 ARG A 28 2.561 19.159 -0.210 1.00 0.57 H new ATOM 0 HE ARG A 28 0.595 19.021 1.020 1.00 0.66 H new ATOM 0 HH11 ARG A 28 3.338 19.495 3.221 1.00 1.04 H new ATOM 0 HH12 ARG A 28 2.307 19.692 4.642 1.00 1.04 H new ATOM 0 HH21 ARG A 28 -0.710 19.254 2.860 1.00 1.12 H new ATOM 0 HH22 ARG A 28 0.025 19.556 4.438 1.00 1.12 H new ATOM 452 N ASP A 29 5.455 14.703 -0.098 1.00 0.27 N ATOM 453 CA ASP A 29 6.912 14.689 -0.206 1.00 0.29 C ATOM 454 C ASP A 29 7.319 14.403 -1.650 1.00 0.30 C ATOM 455 O ASP A 29 6.501 13.933 -2.447 1.00 0.37 O ATOM 456 CB ASP A 29 7.523 13.643 0.736 1.00 0.31 C ATOM 457 CG ASP A 29 8.895 14.050 1.244 1.00 0.39 C ATOM 458 OD1 ASP A 29 9.827 14.176 0.425 1.00 0.47 O ATOM 459 OD2 ASP A 29 9.042 14.259 2.468 1.00 0.53 O ATOM 0 H ASP A 29 4.975 14.266 -0.885 1.00 0.27 H new ATOM 0 HA ASP A 29 7.291 15.668 0.088 1.00 0.29 H new ATOM 0 HB2 ASP A 29 6.856 13.489 1.584 1.00 0.31 H new ATOM 0 HB3 ASP A 29 7.600 12.689 0.214 1.00 0.31 H new ATOM 464 N ARG A 30 8.572 14.673 -1.985 1.00 0.35 N ATOM 465 CA ARG A 30 9.066 14.458 -3.343 1.00 0.39 C ATOM 466 C ARG A 30 9.335 12.980 -3.583 1.00 0.37 C ATOM 467 O ARG A 30 10.464 12.511 -3.427 1.00 0.41 O ATOM 468 CB ARG A 30 10.337 15.278 -3.586 1.00 0.48 C ATOM 469 CG ARG A 30 10.932 15.105 -4.978 1.00 0.53 C ATOM 470 CD ARG A 30 10.063 15.746 -6.047 1.00 0.62 C ATOM 471 NE ARG A 30 10.440 15.308 -7.393 1.00 0.72 N ATOM 472 CZ ARG A 30 10.141 15.970 -8.514 1.00 0.86 C ATOM 473 NH1 ARG A 30 9.487 17.128 -8.459 1.00 1.07 N ATOM 474 NH2 ARG A 30 10.502 15.475 -9.695 1.00 1.02 N ATOM 0 H ARG A 30 9.268 15.042 -1.337 1.00 0.35 H new ATOM 0 HA ARG A 30 8.301 14.789 -4.045 1.00 0.39 H new ATOM 0 HB2 ARG A 30 10.112 16.333 -3.427 1.00 0.48 H new ATOM 0 HB3 ARG A 30 11.085 14.997 -2.845 1.00 0.48 H new ATOM 0 HG2 ARG A 30 11.928 15.548 -5.005 1.00 0.53 H new ATOM 0 HG3 ARG A 30 11.049 14.043 -5.194 1.00 0.53 H new ATOM 0 HD2 ARG A 30 9.018 15.496 -5.863 1.00 0.62 H new ATOM 0 HD3 ARG A 30 10.148 16.831 -5.981 1.00 0.62 H new ATOM 0 HE ARG A 30 10.966 14.439 -7.480 1.00 0.72 H new ATOM 0 HH11 ARG A 30 9.211 17.515 -7.557 1.00 1.07 H new ATOM 0 HH12 ARG A 30 9.262 17.628 -9.319 1.00 1.07 H new ATOM 0 HH21 ARG A 30 11.007 14.590 -9.744 1.00 1.02 H new ATOM 0 HH22 ARG A 30 10.274 15.980 -10.551 1.00 1.02 H new ATOM 488 N SER A 31 8.291 12.254 -3.973 1.00 0.44 N ATOM 489 CA SER A 31 8.401 10.820 -4.231 1.00 0.51 C ATOM 490 C SER A 31 9.122 10.140 -3.069 1.00 0.51 C ATOM 491 O SER A 31 10.007 9.308 -3.261 1.00 0.86 O ATOM 492 CB SER A 31 9.135 10.566 -5.559 1.00 0.65 C ATOM 493 OG SER A 31 9.861 11.714 -5.982 1.00 0.74 O ATOM 0 H SER A 31 7.356 12.636 -4.118 1.00 0.44 H new ATOM 0 HA SER A 31 7.401 10.395 -4.316 1.00 0.51 H new ATOM 0 HB2 SER A 31 9.818 9.725 -5.443 1.00 0.65 H new ATOM 0 HB3 SER A 31 8.414 10.287 -6.327 1.00 0.65 H new ATOM 0 HG SER A 31 10.317 11.519 -6.827 1.00 0.74 H new ATOM 499 N ASP A 32 8.725 10.508 -1.858 1.00 0.47 N ATOM 500 CA ASP A 32 9.335 9.969 -0.654 1.00 0.47 C ATOM 501 C ASP A 32 8.266 9.503 0.327 1.00 0.49 C ATOM 502 O ASP A 32 7.077 9.497 0.004 1.00 1.05 O ATOM 503 CB ASP A 32 10.221 11.030 0.000 1.00 0.57 C ATOM 504 CG ASP A 32 11.477 10.443 0.606 1.00 0.73 C ATOM 505 OD1 ASP A 32 11.371 9.647 1.559 1.00 1.11 O ATOM 506 OD2 ASP A 32 12.584 10.778 0.127 1.00 0.83 O ATOM 0 H ASP A 32 7.979 11.182 -1.685 1.00 0.47 H new ATOM 0 HA ASP A 32 9.948 9.111 -0.929 1.00 0.47 H new ATOM 0 HB2 ASP A 32 10.496 11.778 -0.744 1.00 0.57 H new ATOM 0 HB3 ASP A 32 9.654 11.545 0.775 1.00 0.57 H new ATOM 511 N GLN A 33 8.696 9.124 1.519 1.00 0.35 N ATOM 512 CA GLN A 33 7.788 8.656 2.555 1.00 0.34 C ATOM 513 C GLN A 33 8.203 9.251 3.899 1.00 0.35 C ATOM 514 O GLN A 33 9.015 10.176 3.939 1.00 0.54 O ATOM 515 CB GLN A 33 7.817 7.122 2.611 1.00 0.45 C ATOM 516 CG GLN A 33 6.443 6.473 2.514 1.00 0.53 C ATOM 517 CD GLN A 33 5.884 6.058 3.864 1.00 0.71 C ATOM 518 OE1 GLN A 33 6.233 6.630 4.899 1.00 0.98 O ATOM 519 NE2 GLN A 33 5.008 5.065 3.866 1.00 0.82 N ATOM 0 H GLN A 33 9.678 9.131 1.796 1.00 0.35 H new ATOM 0 HA GLN A 33 6.771 8.976 2.328 1.00 0.34 H new ATOM 0 HB2 GLN A 33 8.441 6.751 1.798 1.00 0.45 H new ATOM 0 HB3 GLN A 33 8.289 6.811 3.543 1.00 0.45 H new ATOM 0 HG2 GLN A 33 5.751 7.169 2.039 1.00 0.53 H new ATOM 0 HG3 GLN A 33 6.506 5.597 1.869 1.00 0.53 H new ATOM 0 HE21 GLN A 33 4.744 4.616 2.989 1.00 0.82 H new ATOM 0 HE22 GLN A 33 4.597 4.749 4.745 1.00 0.82 H new ATOM 528 N HIS A 34 7.654 8.729 4.999 1.00 0.34 N ATOM 529 CA HIS A 34 8.021 9.210 6.334 1.00 0.39 C ATOM 530 C HIS A 34 9.544 9.308 6.438 1.00 0.37 C ATOM 531 O HIS A 34 10.078 10.163 7.140 1.00 0.50 O ATOM 532 CB HIS A 34 7.482 8.270 7.421 1.00 0.48 C ATOM 533 CG HIS A 34 7.953 8.608 8.805 1.00 0.63 C ATOM 534 ND1 HIS A 34 8.542 7.687 9.648 1.00 0.86 N ATOM 535 CD2 HIS A 34 7.930 9.777 9.491 1.00 0.83 C ATOM 536 CE1 HIS A 34 8.859 8.275 10.787 1.00 0.99 C ATOM 537 NE2 HIS A 34 8.499 9.542 10.718 1.00 0.95 N ATOM 0 H HIS A 34 6.961 7.981 4.993 1.00 0.34 H new ATOM 0 HA HIS A 34 7.578 10.195 6.485 1.00 0.39 H new ATOM 0 HB2 HIS A 34 6.392 8.296 7.402 1.00 0.48 H new ATOM 0 HB3 HIS A 34 7.781 7.249 7.185 1.00 0.48 H new ATOM 0 HD2 HIS A 34 7.537 10.719 9.138 1.00 0.83 H new ATOM 0 HE1 HIS A 34 9.333 7.799 11.632 1.00 0.99 H new ATOM 0 HE2 HIS A 34 8.623 10.235 11.456 1.00 0.95 H new ATOM 546 N ILE A 35 10.220 8.401 5.734 1.00 0.31 N ATOM 547 CA ILE A 35 11.679 8.350 5.683 1.00 0.34 C ATOM 548 C ILE A 35 12.126 7.860 4.301 1.00 0.33 C ATOM 549 O ILE A 35 13.050 8.408 3.698 1.00 0.40 O ATOM 550 CB ILE A 35 12.268 7.416 6.768 1.00 0.39 C ATOM 551 CG1 ILE A 35 11.699 7.760 8.148 1.00 0.42 C ATOM 552 CG2 ILE A 35 13.789 7.516 6.782 1.00 0.52 C ATOM 553 CD1 ILE A 35 12.180 6.841 9.253 1.00 0.51 C ATOM 0 H ILE A 35 9.766 7.676 5.179 1.00 0.31 H new ATOM 0 HA ILE A 35 12.050 9.358 5.871 1.00 0.34 H new ATOM 0 HB ILE A 35 11.986 6.391 6.528 1.00 0.39 H new ATOM 0 HG12 ILE A 35 11.970 8.786 8.397 1.00 0.42 H new ATOM 0 HG13 ILE A 35 10.611 7.720 8.103 1.00 0.42 H new ATOM 0 HG21 ILE A 35 14.190 6.854 7.550 1.00 0.52 H new ATOM 0 HG22 ILE A 35 14.182 7.223 5.808 1.00 0.52 H new ATOM 0 HG23 ILE A 35 14.084 8.543 6.998 1.00 0.52 H new ATOM 0 HD11 ILE A 35 11.735 7.147 10.200 1.00 0.51 H new ATOM 0 HD12 ILE A 35 11.886 5.816 9.028 1.00 0.51 H new ATOM 0 HD13 ILE A 35 13.266 6.898 9.327 1.00 0.51 H new ATOM 565 N GLN A 36 11.460 6.805 3.821 1.00 0.29 N ATOM 566 CA GLN A 36 11.736 6.217 2.513 1.00 0.30 C ATOM 567 C GLN A 36 10.755 5.069 2.263 1.00 0.30 C ATOM 568 O GLN A 36 10.131 4.574 3.206 1.00 0.64 O ATOM 569 CB GLN A 36 13.181 5.705 2.447 1.00 0.37 C ATOM 570 CG GLN A 36 13.570 5.112 1.102 1.00 0.40 C ATOM 571 CD GLN A 36 15.039 4.740 1.040 1.00 0.47 C ATOM 572 OE1 GLN A 36 15.880 5.544 0.644 1.00 0.76 O ATOM 573 NE2 GLN A 36 15.359 3.517 1.437 1.00 0.61 N ATOM 0 H GLN A 36 10.713 6.336 4.333 1.00 0.29 H new ATOM 0 HA GLN A 36 11.611 6.978 1.743 1.00 0.30 H new ATOM 0 HB2 GLN A 36 13.857 6.528 2.678 1.00 0.37 H new ATOM 0 HB3 GLN A 36 13.323 4.949 3.220 1.00 0.37 H new ATOM 0 HG2 GLN A 36 12.965 4.226 0.909 1.00 0.40 H new ATOM 0 HG3 GLN A 36 13.346 5.829 0.313 1.00 0.40 H new ATOM 0 HE21 GLN A 36 14.632 2.879 1.759 1.00 0.61 H new ATOM 0 HE22 GLN A 36 16.333 3.214 1.421 1.00 0.61 H new ATOM 582 N LEU A 37 10.596 4.658 1.011 1.00 0.27 N ATOM 583 CA LEU A 37 9.698 3.555 0.680 1.00 0.25 C ATOM 584 C LEU A 37 10.299 2.693 -0.426 1.00 0.22 C ATOM 585 O LEU A 37 10.630 3.196 -1.502 1.00 0.26 O ATOM 586 CB LEU A 37 8.325 4.079 0.243 1.00 0.33 C ATOM 587 CG LEU A 37 7.120 3.277 0.747 1.00 0.42 C ATOM 588 CD1 LEU A 37 5.833 3.826 0.150 1.00 0.57 C ATOM 589 CD2 LEU A 37 7.273 1.798 0.412 1.00 0.53 C ATOM 0 H LEU A 37 11.075 5.069 0.210 1.00 0.27 H new ATOM 0 HA LEU A 37 9.568 2.947 1.575 1.00 0.25 H new ATOM 0 HB2 LEU A 37 8.223 5.109 0.586 1.00 0.33 H new ATOM 0 HB3 LEU A 37 8.294 4.101 -0.846 1.00 0.33 H new ATOM 0 HG LEU A 37 7.073 3.376 1.831 1.00 0.42 H new ATOM 0 HD11 LEU A 37 4.986 3.247 0.517 1.00 0.57 H new ATOM 0 HD12 LEU A 37 5.713 4.869 0.442 1.00 0.57 H new ATOM 0 HD13 LEU A 37 5.877 3.756 -0.937 1.00 0.57 H new ATOM 0 HD21 LEU A 37 6.406 1.250 0.780 1.00 0.53 H new ATOM 0 HD22 LEU A 37 7.348 1.676 -0.668 1.00 0.53 H new ATOM 0 HD23 LEU A 37 8.175 1.409 0.885 1.00 0.53 H new ATOM 601 N GLN A 38 10.448 1.404 -0.151 1.00 0.23 N ATOM 602 CA GLN A 38 11.006 0.469 -1.114 1.00 0.27 C ATOM 603 C GLN A 38 9.987 -0.615 -1.455 1.00 0.24 C ATOM 604 O GLN A 38 9.340 -1.172 -0.565 1.00 0.32 O ATOM 605 CB GLN A 38 12.284 -0.162 -0.558 1.00 0.38 C ATOM 606 CG GLN A 38 13.439 0.820 -0.438 1.00 0.51 C ATOM 607 CD GLN A 38 14.513 0.359 0.532 1.00 0.62 C ATOM 608 OE1 GLN A 38 14.232 -0.340 1.506 1.00 1.05 O ATOM 609 NE2 GLN A 38 15.750 0.758 0.278 1.00 0.75 N ATOM 0 H GLN A 38 10.187 0.981 0.740 1.00 0.23 H new ATOM 0 HA GLN A 38 11.252 1.014 -2.026 1.00 0.27 H new ATOM 0 HB2 GLN A 38 12.074 -0.586 0.424 1.00 0.38 H new ATOM 0 HB3 GLN A 38 12.584 -0.987 -1.204 1.00 0.38 H new ATOM 0 HG2 GLN A 38 13.885 0.969 -1.421 1.00 0.51 H new ATOM 0 HG3 GLN A 38 13.054 1.787 -0.113 1.00 0.51 H new ATOM 0 HE21 GLN A 38 15.941 1.337 -0.540 1.00 0.75 H new ATOM 0 HE22 GLN A 38 16.511 0.487 0.900 1.00 0.75 H new ATOM 618 N LEU A 39 9.837 -0.893 -2.742 1.00 0.24 N ATOM 619 CA LEU A 39 8.904 -1.909 -3.213 1.00 0.24 C ATOM 620 C LEU A 39 9.518 -2.660 -4.388 1.00 0.26 C ATOM 621 O LEU A 39 9.594 -2.127 -5.499 1.00 0.34 O ATOM 622 CB LEU A 39 7.578 -1.258 -3.628 1.00 0.26 C ATOM 623 CG LEU A 39 6.426 -2.224 -3.915 1.00 0.34 C ATOM 624 CD1 LEU A 39 5.111 -1.468 -4.007 1.00 0.38 C ATOM 625 CD2 LEU A 39 6.680 -3.003 -5.197 1.00 0.41 C ATOM 0 H LEU A 39 10.354 -0.425 -3.486 1.00 0.24 H new ATOM 0 HA LEU A 39 8.703 -2.614 -2.407 1.00 0.24 H new ATOM 0 HB2 LEU A 39 7.267 -0.575 -2.838 1.00 0.26 H new ATOM 0 HB3 LEU A 39 7.753 -0.656 -4.519 1.00 0.26 H new ATOM 0 HG LEU A 39 6.363 -2.934 -3.091 1.00 0.34 H new ATOM 0 HD11 LEU A 39 4.302 -2.169 -4.211 1.00 0.38 H new ATOM 0 HD12 LEU A 39 4.918 -0.957 -3.064 1.00 0.38 H new ATOM 0 HD13 LEU A 39 5.168 -0.735 -4.812 1.00 0.38 H new ATOM 0 HD21 LEU A 39 5.848 -3.683 -5.380 1.00 0.41 H new ATOM 0 HD22 LEU A 39 6.772 -2.309 -6.032 1.00 0.41 H new ATOM 0 HD23 LEU A 39 7.602 -3.576 -5.098 1.00 0.41 H new ATOM 637 N SER A 40 9.972 -3.882 -4.139 1.00 0.25 N ATOM 638 CA SER A 40 10.600 -4.699 -5.174 1.00 0.28 C ATOM 639 C SER A 40 11.180 -5.982 -4.580 1.00 0.29 C ATOM 640 O SER A 40 10.930 -6.299 -3.416 1.00 0.38 O ATOM 641 CB SER A 40 11.710 -3.892 -5.870 1.00 0.36 C ATOM 642 OG SER A 40 11.210 -3.218 -7.019 1.00 0.55 O ATOM 0 H SER A 40 9.917 -4.332 -3.225 1.00 0.25 H new ATOM 0 HA SER A 40 9.840 -4.976 -5.905 1.00 0.28 H new ATOM 0 HB2 SER A 40 12.128 -3.166 -5.172 1.00 0.36 H new ATOM 0 HB3 SER A 40 12.521 -4.559 -6.160 1.00 0.36 H new ATOM 0 HG SER A 40 10.368 -2.770 -6.795 1.00 0.55 H new ATOM 648 N ALA A 41 11.934 -6.722 -5.399 1.00 0.33 N ATOM 649 CA ALA A 41 12.583 -7.960 -4.968 1.00 0.37 C ATOM 650 C ALA A 41 11.611 -9.139 -4.934 1.00 0.36 C ATOM 651 O ALA A 41 11.522 -9.853 -3.934 1.00 0.76 O ATOM 652 CB ALA A 41 13.244 -7.770 -3.607 1.00 0.46 C ATOM 0 H ALA A 41 12.110 -6.480 -6.374 1.00 0.33 H new ATOM 0 HA ALA A 41 13.351 -8.197 -5.705 1.00 0.37 H new ATOM 0 HB1 ALA A 41 13.722 -8.701 -3.302 1.00 0.46 H new ATOM 0 HB2 ALA A 41 13.994 -6.982 -3.674 1.00 0.46 H new ATOM 0 HB3 ALA A 41 12.489 -7.491 -2.872 1.00 0.46 H new ATOM 658 N GLU A 42 10.897 -9.345 -6.036 1.00 0.35 N ATOM 659 CA GLU A 42 9.945 -10.443 -6.144 1.00 0.30 C ATOM 660 C GLU A 42 9.749 -10.827 -7.605 1.00 0.33 C ATOM 661 O GLU A 42 10.255 -10.149 -8.506 1.00 0.51 O ATOM 662 CB GLU A 42 8.603 -10.069 -5.506 1.00 0.32 C ATOM 663 CG GLU A 42 8.500 -10.431 -4.033 1.00 0.54 C ATOM 664 CD GLU A 42 8.720 -11.912 -3.780 1.00 0.76 C ATOM 665 OE1 GLU A 42 9.885 -12.321 -3.598 1.00 1.05 O ATOM 666 OE2 GLU A 42 7.734 -12.673 -3.766 1.00 1.01 O ATOM 0 H GLU A 42 10.961 -8.762 -6.871 1.00 0.35 H new ATOM 0 HA GLU A 42 10.349 -11.300 -5.605 1.00 0.30 H new ATOM 0 HB2 GLU A 42 8.445 -8.996 -5.619 1.00 0.32 H new ATOM 0 HB3 GLU A 42 7.801 -10.569 -6.050 1.00 0.32 H new ATOM 0 HG2 GLU A 42 9.235 -9.857 -3.469 1.00 0.54 H new ATOM 0 HG3 GLU A 42 7.517 -10.144 -3.660 1.00 0.54 H new ATOM 673 N SER A 43 9.031 -11.916 -7.837 1.00 0.31 N ATOM 674 CA SER A 43 8.774 -12.400 -9.188 1.00 0.38 C ATOM 675 C SER A 43 7.686 -11.567 -9.863 1.00 0.34 C ATOM 676 O SER A 43 6.788 -11.063 -9.189 1.00 0.61 O ATOM 677 CB SER A 43 8.363 -13.875 -9.148 1.00 0.52 C ATOM 678 OG SER A 43 8.636 -14.448 -7.877 1.00 1.04 O ATOM 0 H SER A 43 8.613 -12.486 -7.102 1.00 0.31 H new ATOM 0 HA SER A 43 9.690 -12.302 -9.770 1.00 0.38 H new ATOM 0 HB2 SER A 43 7.300 -13.966 -9.370 1.00 0.52 H new ATOM 0 HB3 SER A 43 8.898 -14.426 -9.921 1.00 0.52 H new ATOM 0 HG SER A 43 7.808 -14.493 -7.354 1.00 1.04 H new ATOM 684 N VAL A 44 7.775 -11.429 -11.188 1.00 0.39 N ATOM 685 CA VAL A 44 6.802 -10.658 -11.964 1.00 0.39 C ATOM 686 C VAL A 44 5.393 -10.797 -11.380 1.00 0.36 C ATOM 687 O VAL A 44 4.768 -11.858 -11.468 1.00 0.59 O ATOM 688 CB VAL A 44 6.802 -11.082 -13.451 1.00 0.52 C ATOM 689 CG1 VAL A 44 6.532 -12.572 -13.598 1.00 0.60 C ATOM 690 CG2 VAL A 44 5.794 -10.266 -14.243 1.00 0.58 C ATOM 0 H VAL A 44 8.518 -11.845 -11.749 1.00 0.39 H new ATOM 0 HA VAL A 44 7.102 -9.612 -11.905 1.00 0.39 H new ATOM 0 HB VAL A 44 7.794 -10.884 -13.857 1.00 0.52 H new ATOM 0 HG11 VAL A 44 6.538 -12.840 -14.654 1.00 0.60 H new ATOM 0 HG12 VAL A 44 7.306 -13.135 -13.076 1.00 0.60 H new ATOM 0 HG13 VAL A 44 5.559 -12.809 -13.169 1.00 0.60 H new ATOM 0 HG21 VAL A 44 5.811 -10.581 -15.286 1.00 0.58 H new ATOM 0 HG22 VAL A 44 4.796 -10.422 -13.833 1.00 0.58 H new ATOM 0 HG23 VAL A 44 6.051 -9.209 -14.179 1.00 0.58 H new ATOM 700 N GLY A 45 4.914 -9.722 -10.768 1.00 0.32 N ATOM 701 CA GLY A 45 3.599 -9.726 -10.160 1.00 0.33 C ATOM 702 C GLY A 45 3.682 -9.597 -8.652 1.00 0.28 C ATOM 703 O GLY A 45 3.031 -8.735 -8.057 1.00 0.33 O ATOM 0 H GLY A 45 5.419 -8.840 -10.682 1.00 0.32 H new ATOM 0 HA2 GLY A 45 3.008 -8.904 -10.564 1.00 0.33 H new ATOM 0 HA3 GLY A 45 3.080 -10.649 -10.419 1.00 0.33 H new ATOM 707 N GLU A 46 4.500 -10.446 -8.039 1.00 0.27 N ATOM 708 CA GLU A 46 4.684 -10.433 -6.596 1.00 0.28 C ATOM 709 C GLU A 46 5.552 -9.238 -6.215 1.00 0.24 C ATOM 710 O GLU A 46 6.487 -8.893 -6.941 1.00 0.31 O ATOM 711 CB GLU A 46 5.340 -11.739 -6.129 1.00 0.39 C ATOM 712 CG GLU A 46 4.652 -12.988 -6.658 1.00 0.51 C ATOM 713 CD GLU A 46 5.320 -14.268 -6.196 1.00 0.64 C ATOM 714 OE1 GLU A 46 6.450 -14.556 -6.648 1.00 0.86 O ATOM 715 OE2 GLU A 46 4.716 -15.000 -5.383 1.00 0.82 O ATOM 0 H GLU A 46 5.049 -11.156 -8.525 1.00 0.27 H new ATOM 0 HA GLU A 46 3.713 -10.347 -6.108 1.00 0.28 H new ATOM 0 HB2 GLU A 46 6.383 -11.746 -6.447 1.00 0.39 H new ATOM 0 HB3 GLU A 46 5.339 -11.767 -5.039 1.00 0.39 H new ATOM 0 HG2 GLU A 46 3.612 -12.989 -6.333 1.00 0.51 H new ATOM 0 HG3 GLU A 46 4.646 -12.960 -7.748 1.00 0.51 H new ATOM 722 N VAL A 47 5.240 -8.592 -5.099 1.00 0.22 N ATOM 723 CA VAL A 47 6.012 -7.436 -4.668 1.00 0.25 C ATOM 724 C VAL A 47 6.172 -7.377 -3.151 1.00 0.23 C ATOM 725 O VAL A 47 5.246 -7.691 -2.397 1.00 0.29 O ATOM 726 CB VAL A 47 5.381 -6.114 -5.158 1.00 0.32 C ATOM 727 CG1 VAL A 47 5.457 -6.010 -6.675 1.00 0.35 C ATOM 728 CG2 VAL A 47 3.938 -5.986 -4.679 1.00 0.35 C ATOM 0 H VAL A 47 4.467 -8.845 -4.483 1.00 0.22 H new ATOM 0 HA VAL A 47 6.998 -7.554 -5.118 1.00 0.25 H new ATOM 0 HB VAL A 47 5.952 -5.290 -4.730 1.00 0.32 H new ATOM 0 HG11 VAL A 47 5.007 -5.071 -6.998 1.00 0.35 H new ATOM 0 HG12 VAL A 47 6.500 -6.040 -6.990 1.00 0.35 H new ATOM 0 HG13 VAL A 47 4.918 -6.844 -7.124 1.00 0.35 H new ATOM 0 HG21 VAL A 47 3.518 -5.047 -5.038 1.00 0.35 H new ATOM 0 HG22 VAL A 47 3.351 -6.818 -5.067 1.00 0.35 H new ATOM 0 HG23 VAL A 47 3.914 -6.002 -3.589 1.00 0.35 H new ATOM 738 N TYR A 48 7.362 -6.974 -2.721 1.00 0.22 N ATOM 739 CA TYR A 48 7.680 -6.833 -1.308 1.00 0.22 C ATOM 740 C TYR A 48 7.769 -5.347 -0.972 1.00 0.22 C ATOM 741 O TYR A 48 8.609 -4.632 -1.528 1.00 0.29 O ATOM 742 CB TYR A 48 9.004 -7.539 -0.994 1.00 0.25 C ATOM 743 CG TYR A 48 9.445 -7.424 0.451 1.00 0.35 C ATOM 744 CD1 TYR A 48 8.981 -8.314 1.413 1.00 0.49 C ATOM 745 CD2 TYR A 48 10.334 -6.432 0.850 1.00 0.58 C ATOM 746 CE1 TYR A 48 9.392 -8.220 2.730 1.00 0.66 C ATOM 747 CE2 TYR A 48 10.747 -6.330 2.164 1.00 0.74 C ATOM 748 CZ TYR A 48 10.273 -7.226 3.101 1.00 0.72 C ATOM 749 OH TYR A 48 10.688 -7.129 4.416 1.00 0.92 O ATOM 0 H TYR A 48 8.133 -6.736 -3.344 1.00 0.22 H new ATOM 0 HA TYR A 48 6.900 -7.295 -0.703 1.00 0.22 H new ATOM 0 HB2 TYR A 48 8.909 -8.594 -1.250 1.00 0.25 H new ATOM 0 HB3 TYR A 48 9.784 -7.125 -1.634 1.00 0.25 H new ATOM 0 HD1 TYR A 48 8.288 -9.092 1.127 1.00 0.49 H new ATOM 0 HD2 TYR A 48 10.708 -5.729 0.120 1.00 0.58 H new ATOM 0 HE1 TYR A 48 9.025 -8.922 3.464 1.00 0.66 H new ATOM 0 HE2 TYR A 48 11.437 -5.553 2.457 1.00 0.74 H new ATOM 0 HH TYR A 48 9.924 -7.274 5.012 1.00 0.92 H new ATOM 759 N ILE A 49 6.892 -4.881 -0.088 1.00 0.21 N ATOM 760 CA ILE A 49 6.862 -3.472 0.294 1.00 0.22 C ATOM 761 C ILE A 49 7.624 -3.232 1.594 1.00 0.23 C ATOM 762 O ILE A 49 7.303 -3.808 2.634 1.00 0.37 O ATOM 763 CB ILE A 49 5.414 -2.957 0.446 1.00 0.26 C ATOM 764 CG1 ILE A 49 4.627 -3.189 -0.852 1.00 0.31 C ATOM 765 CG2 ILE A 49 5.406 -1.478 0.819 1.00 0.30 C ATOM 766 CD1 ILE A 49 3.170 -2.782 -0.766 1.00 0.38 C ATOM 0 H ILE A 49 6.192 -5.458 0.378 1.00 0.21 H new ATOM 0 HA ILE A 49 7.349 -2.919 -0.509 1.00 0.22 H new ATOM 0 HB ILE A 49 4.932 -3.514 1.249 1.00 0.26 H new ATOM 0 HG12 ILE A 49 5.103 -2.632 -1.659 1.00 0.31 H new ATOM 0 HG13 ILE A 49 4.684 -4.245 -1.117 1.00 0.31 H new ATOM 0 HG21 ILE A 49 4.377 -1.134 0.921 1.00 0.30 H new ATOM 0 HG22 ILE A 49 5.931 -1.338 1.764 1.00 0.30 H new ATOM 0 HG23 ILE A 49 5.905 -0.903 0.039 1.00 0.30 H new ATOM 0 HD11 ILE A 49 2.681 -2.976 -1.721 1.00 0.38 H new ATOM 0 HD12 ILE A 49 2.677 -3.357 0.018 1.00 0.38 H new ATOM 0 HD13 ILE A 49 3.102 -1.719 -0.533 1.00 0.38 H new ATOM 778 N LYS A 50 8.633 -2.377 1.527 1.00 0.21 N ATOM 779 CA LYS A 50 9.442 -2.052 2.688 1.00 0.25 C ATOM 780 C LYS A 50 9.487 -0.542 2.907 1.00 0.21 C ATOM 781 O LYS A 50 9.989 0.205 2.063 1.00 0.26 O ATOM 782 CB LYS A 50 10.859 -2.606 2.521 1.00 0.34 C ATOM 783 CG LYS A 50 11.786 -2.287 3.686 1.00 0.49 C ATOM 784 CD LYS A 50 11.191 -2.709 5.023 1.00 0.73 C ATOM 785 CE LYS A 50 10.872 -4.196 5.056 1.00 1.35 C ATOM 786 NZ LYS A 50 12.084 -5.041 4.873 1.00 1.74 N ATOM 0 H LYS A 50 8.911 -1.893 0.673 1.00 0.21 H new ATOM 0 HA LYS A 50 8.986 -2.514 3.564 1.00 0.25 H new ATOM 0 HB2 LYS A 50 10.804 -3.688 2.399 1.00 0.34 H new ATOM 0 HB3 LYS A 50 11.291 -2.203 1.605 1.00 0.34 H new ATOM 0 HG2 LYS A 50 12.740 -2.793 3.538 1.00 0.49 H new ATOM 0 HG3 LYS A 50 11.992 -1.217 3.703 1.00 0.49 H new ATOM 0 HD2 LYS A 50 11.891 -2.470 5.824 1.00 0.73 H new ATOM 0 HD3 LYS A 50 10.282 -2.138 5.213 1.00 0.73 H new ATOM 0 HE2 LYS A 50 10.401 -4.443 6.007 1.00 1.35 H new ATOM 0 HE3 LYS A 50 10.150 -4.427 4.273 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 11.799 -6.031 4.733 1.00 1.74 H new ATOM 0 HZ2 LYS A 50 12.614 -4.713 4.040 1.00 1.74 H new ATOM 0 HZ3 LYS A 50 12.687 -4.970 5.717 1.00 1.74 H new ATOM 800 N SER A 51 8.941 -0.098 4.028 1.00 0.24 N ATOM 801 CA SER A 51 8.936 1.314 4.364 1.00 0.25 C ATOM 802 C SER A 51 10.216 1.666 5.115 1.00 0.25 C ATOM 803 O SER A 51 10.608 0.957 6.040 1.00 0.33 O ATOM 804 CB SER A 51 7.704 1.649 5.209 1.00 0.32 C ATOM 805 OG SER A 51 6.543 1.043 4.664 1.00 0.53 O ATOM 0 H SER A 51 8.495 -0.698 4.721 1.00 0.24 H new ATOM 0 HA SER A 51 8.893 1.904 3.448 1.00 0.25 H new ATOM 0 HB2 SER A 51 7.854 1.305 6.232 1.00 0.32 H new ATOM 0 HB3 SER A 51 7.570 2.730 5.253 1.00 0.32 H new ATOM 0 HG SER A 51 5.748 1.392 5.118 1.00 0.53 H new ATOM 811 N THR A 52 10.859 2.755 4.708 1.00 0.24 N ATOM 812 CA THR A 52 12.103 3.204 5.326 1.00 0.28 C ATOM 813 C THR A 52 13.253 2.244 5.007 1.00 0.28 C ATOM 814 O THR A 52 13.040 1.052 4.786 1.00 0.34 O ATOM 815 CB THR A 52 11.943 3.346 6.854 1.00 0.32 C ATOM 816 OG1 THR A 52 10.727 4.051 7.149 1.00 0.35 O ATOM 817 CG2 THR A 52 13.119 4.091 7.463 1.00 0.38 C ATOM 0 H THR A 52 10.535 3.349 3.945 1.00 0.24 H new ATOM 0 HA THR A 52 12.341 4.183 4.909 1.00 0.28 H new ATOM 0 HB THR A 52 11.908 2.346 7.286 1.00 0.32 H new ATOM 0 HG1 THR A 52 10.526 4.676 6.421 1.00 0.35 H new ATOM 0 HG21 THR A 52 12.978 4.175 8.541 1.00 0.38 H new ATOM 0 HG22 THR A 52 14.040 3.545 7.259 1.00 0.38 H new ATOM 0 HG23 THR A 52 13.184 5.088 7.026 1.00 0.38 H new ATOM 825 N GLU A 53 14.474 2.774 4.961 1.00 0.31 N ATOM 826 CA GLU A 53 15.647 1.958 4.667 1.00 0.35 C ATOM 827 C GLU A 53 15.814 0.875 5.730 1.00 0.31 C ATOM 828 O GLU A 53 16.110 -0.279 5.416 1.00 0.37 O ATOM 829 CB GLU A 53 16.906 2.830 4.601 1.00 0.43 C ATOM 830 CG GLU A 53 18.098 2.132 3.966 1.00 0.47 C ATOM 831 CD GLU A 53 17.831 1.730 2.530 1.00 0.57 C ATOM 832 OE1 GLU A 53 17.850 2.613 1.649 1.00 0.73 O ATOM 833 OE2 GLU A 53 17.589 0.534 2.275 1.00 0.74 O ATOM 0 H GLU A 53 14.675 3.761 5.123 1.00 0.31 H new ATOM 0 HA GLU A 53 15.503 1.483 3.697 1.00 0.35 H new ATOM 0 HB2 GLU A 53 16.682 3.735 4.036 1.00 0.43 H new ATOM 0 HB3 GLU A 53 17.174 3.143 5.610 1.00 0.43 H new ATOM 0 HG2 GLU A 53 18.964 2.793 4.001 1.00 0.47 H new ATOM 0 HG3 GLU A 53 18.350 1.246 4.548 1.00 0.47 H new ATOM 840 N THR A 54 15.606 1.253 6.986 1.00 0.28 N ATOM 841 CA THR A 54 15.730 0.324 8.100 1.00 0.31 C ATOM 842 C THR A 54 14.775 0.707 9.233 1.00 0.33 C ATOM 843 O THR A 54 14.327 1.855 9.308 1.00 0.52 O ATOM 844 CB THR A 54 17.182 0.294 8.630 1.00 0.40 C ATOM 845 OG1 THR A 54 17.752 1.617 8.601 1.00 0.63 O ATOM 846 CG2 THR A 54 18.044 -0.650 7.803 1.00 0.68 C ATOM 0 H THR A 54 15.349 2.202 7.258 1.00 0.28 H new ATOM 0 HA THR A 54 15.467 -0.669 7.737 1.00 0.31 H new ATOM 0 HB THR A 54 17.156 -0.066 9.658 1.00 0.40 H new ATOM 0 HG1 THR A 54 18.671 1.585 8.941 1.00 0.63 H new ATOM 0 HG21 THR A 54 19.061 -0.653 8.196 1.00 0.68 H new ATOM 0 HG22 THR A 54 17.632 -1.658 7.854 1.00 0.68 H new ATOM 0 HG23 THR A 54 18.057 -0.316 6.766 1.00 0.68 H new ATOM 854 N GLY A 55 14.442 -0.256 10.089 1.00 0.39 N ATOM 855 CA GLY A 55 13.562 0.009 11.213 1.00 0.44 C ATOM 856 C GLY A 55 12.100 -0.269 10.911 1.00 0.42 C ATOM 857 O GLY A 55 11.451 -1.042 11.618 1.00 0.76 O ATOM 0 H GLY A 55 14.768 -1.220 10.023 1.00 0.39 H new ATOM 0 HA2 GLY A 55 13.873 -0.602 12.061 1.00 0.44 H new ATOM 0 HA3 GLY A 55 13.672 1.051 11.513 1.00 0.44 H new ATOM 861 N GLN A 56 11.579 0.358 9.863 1.00 0.34 N ATOM 862 CA GLN A 56 10.179 0.188 9.488 1.00 0.30 C ATOM 863 C GLN A 56 9.939 -1.129 8.752 1.00 0.27 C ATOM 864 O GLN A 56 10.862 -1.726 8.194 1.00 0.38 O ATOM 865 CB GLN A 56 9.705 1.367 8.637 1.00 0.37 C ATOM 866 CG GLN A 56 8.976 2.432 9.436 1.00 0.49 C ATOM 867 CD GLN A 56 7.679 1.915 10.023 1.00 0.76 C ATOM 868 OE1 GLN A 56 6.625 2.018 9.404 1.00 1.02 O ATOM 869 NE2 GLN A 56 7.747 1.344 11.216 1.00 0.89 N ATOM 0 H GLN A 56 12.104 0.989 9.257 1.00 0.34 H new ATOM 0 HA GLN A 56 9.598 0.158 10.410 1.00 0.30 H new ATOM 0 HB2 GLN A 56 10.566 1.819 8.144 1.00 0.37 H new ATOM 0 HB3 GLN A 56 9.045 0.997 7.852 1.00 0.37 H new ATOM 0 HG2 GLN A 56 9.621 2.787 10.240 1.00 0.49 H new ATOM 0 HG3 GLN A 56 8.767 3.287 8.793 1.00 0.49 H new ATOM 0 HE21 GLN A 56 8.643 1.277 11.699 1.00 0.89 H new ATOM 0 HE22 GLN A 56 6.904 0.971 11.652 1.00 0.89 H new ATOM 878 N TYR A 57 8.684 -1.570 8.766 1.00 0.24 N ATOM 879 CA TYR A 57 8.280 -2.811 8.119 1.00 0.23 C ATOM 880 C TYR A 57 6.781 -2.771 7.838 1.00 0.25 C ATOM 881 O TYR A 57 5.974 -2.743 8.765 1.00 0.42 O ATOM 882 CB TYR A 57 8.624 -3.998 9.020 1.00 0.26 C ATOM 883 CG TYR A 57 8.532 -5.351 8.346 1.00 0.35 C ATOM 884 CD1 TYR A 57 7.301 -5.949 8.097 1.00 0.54 C ATOM 885 CD2 TYR A 57 9.681 -6.036 7.973 1.00 0.53 C ATOM 886 CE1 TYR A 57 7.220 -7.191 7.493 1.00 0.73 C ATOM 887 CE2 TYR A 57 9.609 -7.278 7.374 1.00 0.73 C ATOM 888 CZ TYR A 57 8.378 -7.853 7.134 1.00 0.79 C ATOM 889 OH TYR A 57 8.309 -9.099 6.543 1.00 1.03 O ATOM 0 H TYR A 57 7.920 -1.076 9.227 1.00 0.24 H new ATOM 0 HA TYR A 57 8.814 -2.924 7.175 1.00 0.23 H new ATOM 0 HB2 TYR A 57 9.636 -3.866 9.402 1.00 0.26 H new ATOM 0 HB3 TYR A 57 7.955 -3.990 9.880 1.00 0.26 H new ATOM 0 HD1 TYR A 57 6.394 -5.435 8.380 1.00 0.54 H new ATOM 0 HD2 TYR A 57 10.648 -5.590 8.155 1.00 0.53 H new ATOM 0 HE1 TYR A 57 6.257 -7.641 7.303 1.00 0.73 H new ATOM 0 HE2 TYR A 57 10.513 -7.798 7.094 1.00 0.73 H new ATOM 0 HH TYR A 57 9.215 -9.443 6.398 1.00 1.03 H new ATOM 899 N LEU A 58 6.417 -2.750 6.563 1.00 0.20 N ATOM 900 CA LEU A 58 5.012 -2.698 6.171 1.00 0.22 C ATOM 901 C LEU A 58 4.383 -4.084 6.260 1.00 0.23 C ATOM 902 O LEU A 58 4.747 -4.991 5.506 1.00 0.30 O ATOM 903 CB LEU A 58 4.878 -2.140 4.746 1.00 0.27 C ATOM 904 CG LEU A 58 3.505 -1.560 4.381 1.00 0.32 C ATOM 905 CD1 LEU A 58 2.442 -2.649 4.359 1.00 0.39 C ATOM 906 CD2 LEU A 58 3.119 -0.449 5.349 1.00 0.38 C ATOM 0 H LEU A 58 7.073 -2.768 5.782 1.00 0.20 H new ATOM 0 HA LEU A 58 4.484 -2.035 6.856 1.00 0.22 H new ATOM 0 HB2 LEU A 58 5.628 -1.361 4.609 1.00 0.27 H new ATOM 0 HB3 LEU A 58 5.114 -2.937 4.041 1.00 0.27 H new ATOM 0 HG LEU A 58 3.572 -1.135 3.379 1.00 0.32 H new ATOM 0 HD11 LEU A 58 1.478 -2.212 4.098 1.00 0.39 H new ATOM 0 HD12 LEU A 58 2.710 -3.404 3.620 1.00 0.39 H new ATOM 0 HD13 LEU A 58 2.375 -3.112 5.343 1.00 0.39 H new ATOM 0 HD21 LEU A 58 2.143 -0.050 5.074 1.00 0.38 H new ATOM 0 HD22 LEU A 58 3.076 -0.848 6.362 1.00 0.38 H new ATOM 0 HD23 LEU A 58 3.862 0.347 5.304 1.00 0.38 H new ATOM 918 N ALA A 59 3.445 -4.248 7.187 1.00 0.23 N ATOM 919 CA ALA A 59 2.767 -5.523 7.377 1.00 0.27 C ATOM 920 C ALA A 59 1.253 -5.336 7.374 1.00 0.24 C ATOM 921 O ALA A 59 0.741 -4.307 7.827 1.00 0.26 O ATOM 922 CB ALA A 59 3.227 -6.175 8.673 1.00 0.35 C ATOM 0 H ALA A 59 3.137 -3.510 7.820 1.00 0.23 H new ATOM 0 HA ALA A 59 3.026 -6.180 6.547 1.00 0.27 H new ATOM 0 HB1 ALA A 59 2.713 -7.127 8.804 1.00 0.35 H new ATOM 0 HB2 ALA A 59 4.303 -6.346 8.632 1.00 0.35 H new ATOM 0 HB3 ALA A 59 2.995 -5.519 9.512 1.00 0.35 H new ATOM 928 N MET A 60 0.540 -6.332 6.859 1.00 0.28 N ATOM 929 CA MET A 60 -0.919 -6.279 6.789 1.00 0.30 C ATOM 930 C MET A 60 -1.559 -7.049 7.942 1.00 0.26 C ATOM 931 O MET A 60 -1.008 -8.044 8.420 1.00 0.44 O ATOM 932 CB MET A 60 -1.424 -6.844 5.452 1.00 0.40 C ATOM 933 CG MET A 60 -1.006 -8.286 5.186 1.00 0.73 C ATOM 934 SD MET A 60 -2.352 -9.297 4.530 1.00 0.93 S ATOM 935 CE MET A 60 -3.314 -9.577 6.016 1.00 1.97 C ATOM 0 H MET A 60 0.948 -7.188 6.483 1.00 0.28 H new ATOM 0 HA MET A 60 -1.208 -5.231 6.866 1.00 0.30 H new ATOM 0 HB2 MET A 60 -2.512 -6.783 5.432 1.00 0.40 H new ATOM 0 HB3 MET A 60 -1.055 -6.215 4.642 1.00 0.40 H new ATOM 0 HG2 MET A 60 -0.175 -8.294 4.481 1.00 0.73 H new ATOM 0 HG3 MET A 60 -0.642 -8.731 6.112 1.00 0.73 H new ATOM 0 HE1 MET A 60 -3.495 -10.645 6.136 1.00 1.97 H new ATOM 0 HE2 MET A 60 -2.766 -9.203 6.880 1.00 1.97 H new ATOM 0 HE3 MET A 60 -4.267 -9.054 5.936 1.00 1.97 H new ATOM 945 N ASP A 61 -2.712 -6.568 8.390 1.00 0.30 N ATOM 946 CA ASP A 61 -3.460 -7.208 9.467 1.00 0.31 C ATOM 947 C ASP A 61 -4.509 -8.145 8.885 1.00 0.29 C ATOM 948 O ASP A 61 -5.101 -7.846 7.842 1.00 0.34 O ATOM 949 CB ASP A 61 -4.144 -6.159 10.351 1.00 0.42 C ATOM 950 CG ASP A 61 -4.855 -6.775 11.543 1.00 0.68 C ATOM 951 OD1 ASP A 61 -5.923 -7.387 11.359 1.00 0.96 O ATOM 952 OD2 ASP A 61 -4.349 -6.639 12.673 1.00 0.94 O ATOM 0 H ASP A 61 -3.154 -5.727 8.019 1.00 0.30 H new ATOM 0 HA ASP A 61 -2.760 -7.778 10.078 1.00 0.31 H new ATOM 0 HB2 ASP A 61 -3.399 -5.446 10.705 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -4.863 -5.598 9.753 1.00 0.42 H new ATOM 957 N THR A 62 -4.730 -9.269 9.555 1.00 0.37 N ATOM 958 CA THR A 62 -5.706 -10.261 9.114 1.00 0.44 C ATOM 959 C THR A 62 -7.067 -9.615 8.808 1.00 0.41 C ATOM 960 O THR A 62 -7.708 -9.948 7.805 1.00 0.50 O ATOM 961 CB THR A 62 -5.876 -11.381 10.174 1.00 0.59 C ATOM 962 OG1 THR A 62 -6.668 -12.460 9.652 1.00 0.85 O ATOM 963 CG2 THR A 62 -6.516 -10.842 11.448 1.00 0.74 C ATOM 0 H THR A 62 -4.242 -9.519 10.415 1.00 0.37 H new ATOM 0 HA THR A 62 -5.324 -10.703 8.194 1.00 0.44 H new ATOM 0 HB THR A 62 -4.882 -11.755 10.417 1.00 0.59 H new ATOM 0 HG1 THR A 62 -6.762 -13.157 10.335 1.00 0.85 H new ATOM 0 HG21 THR A 62 -6.622 -11.650 12.172 1.00 0.74 H new ATOM 0 HG22 THR A 62 -5.886 -10.059 11.869 1.00 0.74 H new ATOM 0 HG23 THR A 62 -7.499 -10.431 11.216 1.00 0.74 H new ATOM 971 N ASP A 63 -7.487 -8.669 9.652 1.00 0.36 N ATOM 972 CA ASP A 63 -8.768 -7.991 9.469 1.00 0.41 C ATOM 973 C ASP A 63 -8.786 -7.234 8.150 1.00 0.40 C ATOM 974 O ASP A 63 -9.701 -7.394 7.340 1.00 0.65 O ATOM 975 CB ASP A 63 -9.035 -7.015 10.618 1.00 0.47 C ATOM 976 CG ASP A 63 -10.343 -6.261 10.450 1.00 0.62 C ATOM 977 OD1 ASP A 63 -11.385 -6.754 10.936 1.00 0.82 O ATOM 978 OD2 ASP A 63 -10.338 -5.169 9.850 1.00 0.75 O ATOM 0 H ASP A 63 -6.958 -8.357 10.467 1.00 0.36 H new ATOM 0 HA ASP A 63 -9.550 -8.751 9.459 1.00 0.41 H new ATOM 0 HB2 ASP A 63 -9.054 -7.564 11.559 1.00 0.47 H new ATOM 0 HB3 ASP A 63 -8.214 -6.301 10.682 1.00 0.47 H new ATOM 983 N GLY A 64 -7.762 -6.417 7.941 1.00 0.45 N ATOM 984 CA GLY A 64 -7.665 -5.638 6.725 1.00 0.50 C ATOM 985 C GLY A 64 -7.060 -4.269 6.967 1.00 0.43 C ATOM 986 O GLY A 64 -7.605 -3.255 6.527 1.00 0.64 O ATOM 0 H GLY A 64 -6.993 -6.280 8.597 1.00 0.45 H new ATOM 0 HA2 GLY A 64 -7.059 -6.178 5.998 1.00 0.50 H new ATOM 0 HA3 GLY A 64 -8.658 -5.523 6.290 1.00 0.50 H new ATOM 990 N LEU A 65 -5.926 -4.244 7.656 1.00 0.40 N ATOM 991 CA LEU A 65 -5.241 -3.000 7.970 1.00 0.34 C ATOM 992 C LEU A 65 -3.754 -3.130 7.651 1.00 0.33 C ATOM 993 O LEU A 65 -3.161 -4.185 7.872 1.00 0.60 O ATOM 994 CB LEU A 65 -5.442 -2.664 9.456 1.00 0.37 C ATOM 995 CG LEU A 65 -5.535 -1.171 9.803 1.00 0.71 C ATOM 996 CD1 LEU A 65 -4.237 -0.446 9.468 1.00 1.23 C ATOM 997 CD2 LEU A 65 -6.711 -0.524 9.083 1.00 1.16 C ATOM 0 H LEU A 65 -5.460 -5.079 8.010 1.00 0.40 H new ATOM 0 HA LEU A 65 -5.657 -2.194 7.365 1.00 0.34 H new ATOM 0 HB2 LEU A 65 -6.354 -3.154 9.798 1.00 0.37 H new ATOM 0 HB3 LEU A 65 -4.616 -3.097 10.021 1.00 0.37 H new ATOM 0 HG LEU A 65 -5.699 -1.087 10.877 1.00 0.71 H new ATOM 0 HD11 LEU A 65 -4.333 0.609 9.724 1.00 1.23 H new ATOM 0 HD12 LEU A 65 -3.418 -0.885 10.037 1.00 1.23 H new ATOM 0 HD13 LEU A 65 -4.031 -0.543 8.402 1.00 1.23 H new ATOM 0 HD21 LEU A 65 -6.759 0.534 9.342 1.00 1.16 H new ATOM 0 HD22 LEU A 65 -6.580 -0.628 8.006 1.00 1.16 H new ATOM 0 HD23 LEU A 65 -7.637 -1.014 9.385 1.00 1.16 H new ATOM 1009 N LEU A 66 -3.170 -2.077 7.092 1.00 0.37 N ATOM 1010 CA LEU A 66 -1.749 -2.069 6.764 1.00 0.36 C ATOM 1011 C LEU A 66 -0.997 -1.249 7.803 1.00 0.34 C ATOM 1012 O LEU A 66 -1.290 -0.068 7.997 1.00 0.45 O ATOM 1013 CB LEU A 66 -1.509 -1.501 5.360 1.00 0.41 C ATOM 1014 CG LEU A 66 -1.958 -2.405 4.206 1.00 0.50 C ATOM 1015 CD1 LEU A 66 -3.477 -2.519 4.161 1.00 0.57 C ATOM 1016 CD2 LEU A 66 -1.426 -1.877 2.885 1.00 0.61 C ATOM 0 H LEU A 66 -3.660 -1.214 6.856 1.00 0.37 H new ATOM 0 HA LEU A 66 -1.381 -3.095 6.773 1.00 0.36 H new ATOM 0 HB2 LEU A 66 -2.030 -0.547 5.277 1.00 0.41 H new ATOM 0 HB3 LEU A 66 -0.445 -1.294 5.246 1.00 0.41 H new ATOM 0 HG LEU A 66 -1.550 -3.401 4.375 1.00 0.50 H new ATOM 0 HD11 LEU A 66 -3.769 -3.166 3.334 1.00 0.57 H new ATOM 0 HD12 LEU A 66 -3.838 -2.943 5.098 1.00 0.57 H new ATOM 0 HD13 LEU A 66 -3.912 -1.530 4.019 1.00 0.57 H new ATOM 0 HD21 LEU A 66 -1.753 -2.529 2.075 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -1.806 -0.870 2.716 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -0.337 -1.853 2.915 1.00 0.61 H new ATOM 1028 N TYR A 67 -0.039 -1.874 8.474 1.00 0.28 N ATOM 1029 CA TYR A 67 0.723 -1.196 9.518 1.00 0.33 C ATOM 1030 C TYR A 67 2.227 -1.311 9.290 1.00 0.30 C ATOM 1031 O TYR A 67 2.715 -2.300 8.737 1.00 0.32 O ATOM 1032 CB TYR A 67 0.359 -1.763 10.893 1.00 0.43 C ATOM 1033 CG TYR A 67 0.371 -3.275 10.952 1.00 0.41 C ATOM 1034 CD1 TYR A 67 1.539 -3.972 11.241 1.00 0.55 C ATOM 1035 CD2 TYR A 67 -0.788 -4.005 10.720 1.00 0.45 C ATOM 1036 CE1 TYR A 67 1.549 -5.353 11.294 1.00 0.65 C ATOM 1037 CE2 TYR A 67 -0.783 -5.384 10.772 1.00 0.55 C ATOM 1038 CZ TYR A 67 0.385 -6.053 11.058 1.00 0.63 C ATOM 1039 OH TYR A 67 0.388 -7.430 11.108 1.00 0.80 O ATOM 0 H TYR A 67 0.229 -2.845 8.316 1.00 0.28 H new ATOM 0 HA TYR A 67 0.460 -0.139 9.479 1.00 0.33 H new ATOM 0 HB2 TYR A 67 1.059 -1.374 11.633 1.00 0.43 H new ATOM 0 HB3 TYR A 67 -0.632 -1.405 11.172 1.00 0.43 H new ATOM 0 HD1 TYR A 67 2.452 -3.426 11.427 1.00 0.55 H new ATOM 0 HD2 TYR A 67 -1.708 -3.485 10.495 1.00 0.45 H new ATOM 0 HE1 TYR A 67 2.464 -5.881 11.519 1.00 0.65 H new ATOM 0 HE2 TYR A 67 -1.693 -5.936 10.589 1.00 0.55 H new ATOM 0 HH TYR A 67 -0.021 -7.788 10.292 1.00 0.80 H new ATOM 1049 N GLY A 68 2.949 -0.283 9.720 1.00 0.34 N ATOM 1050 CA GLY A 68 4.388 -0.267 9.584 1.00 0.38 C ATOM 1051 C GLY A 68 5.066 -0.579 10.900 1.00 0.52 C ATOM 1052 O GLY A 68 5.456 0.329 11.640 1.00 1.27 O ATOM 0 H GLY A 68 2.556 0.547 10.165 1.00 0.34 H new ATOM 0 HA2 GLY A 68 4.693 -0.996 8.833 1.00 0.38 H new ATOM 0 HA3 GLY A 68 4.711 0.711 9.228 1.00 0.38 H new ATOM 1056 N SER A 69 5.194 -1.858 11.203 1.00 0.36 N ATOM 1057 CA SER A 69 5.823 -2.291 12.438 1.00 0.39 C ATOM 1058 C SER A 69 6.821 -3.409 12.154 1.00 0.32 C ATOM 1059 O SER A 69 6.520 -4.345 11.412 1.00 0.37 O ATOM 1060 CB SER A 69 4.763 -2.746 13.442 1.00 0.51 C ATOM 1061 OG SER A 69 3.832 -1.702 13.718 1.00 1.23 O ATOM 0 H SER A 69 4.869 -2.619 10.607 1.00 0.36 H new ATOM 0 HA SER A 69 6.364 -1.451 12.874 1.00 0.39 H new ATOM 0 HB2 SER A 69 4.234 -3.614 13.048 1.00 0.51 H new ATOM 0 HB3 SER A 69 5.246 -3.060 14.367 1.00 0.51 H new ATOM 0 HG SER A 69 4.318 -0.871 13.904 1.00 1.23 H new ATOM 1067 N GLN A 70 8.008 -3.295 12.741 1.00 0.31 N ATOM 1068 CA GLN A 70 9.070 -4.275 12.540 1.00 0.33 C ATOM 1069 C GLN A 70 8.598 -5.685 12.903 1.00 0.32 C ATOM 1070 O GLN A 70 8.588 -6.070 14.076 1.00 0.45 O ATOM 1071 CB GLN A 70 10.303 -3.893 13.368 1.00 0.43 C ATOM 1072 CG GLN A 70 11.618 -4.094 12.630 1.00 0.61 C ATOM 1073 CD GLN A 70 11.898 -5.552 12.326 1.00 0.93 C ATOM 1074 OE1 GLN A 70 11.552 -6.438 13.106 1.00 1.14 O ATOM 1075 NE2 GLN A 70 12.514 -5.811 11.185 1.00 1.29 N ATOM 0 H GLN A 70 8.260 -2.528 13.364 1.00 0.31 H new ATOM 0 HA GLN A 70 9.338 -4.275 11.484 1.00 0.33 H new ATOM 0 HB2 GLN A 70 10.220 -2.848 13.667 1.00 0.43 H new ATOM 0 HB3 GLN A 70 10.315 -4.486 14.282 1.00 0.43 H new ATOM 0 HG2 GLN A 70 11.597 -3.530 11.698 1.00 0.61 H new ATOM 0 HG3 GLN A 70 12.433 -3.689 13.230 1.00 0.61 H new ATOM 0 HE21 GLN A 70 12.784 -5.046 10.566 1.00 1.29 H new ATOM 0 HE22 GLN A 70 12.719 -6.775 10.924 1.00 1.29 H new ATOM 1084 N THR A 71 8.173 -6.436 11.896 1.00 0.29 N ATOM 1085 CA THR A 71 7.706 -7.803 12.090 1.00 0.33 C ATOM 1086 C THR A 71 7.896 -8.622 10.808 1.00 0.30 C ATOM 1087 O THR A 71 6.998 -8.694 9.968 1.00 0.38 O ATOM 1088 CB THR A 71 6.215 -7.841 12.514 1.00 0.43 C ATOM 1089 OG1 THR A 71 5.999 -7.051 13.700 1.00 0.52 O ATOM 1090 CG2 THR A 71 5.759 -9.269 12.776 1.00 0.58 C ATOM 0 H THR A 71 8.142 -6.118 10.927 1.00 0.29 H new ATOM 0 HA THR A 71 8.302 -8.240 12.892 1.00 0.33 H new ATOM 0 HB THR A 71 5.632 -7.425 11.692 1.00 0.43 H new ATOM 0 HG1 THR A 71 5.052 -7.087 13.949 1.00 0.52 H new ATOM 0 HG21 THR A 71 4.710 -9.267 13.072 1.00 0.58 H new ATOM 0 HG22 THR A 71 5.880 -9.862 11.869 1.00 0.58 H new ATOM 0 HG23 THR A 71 6.361 -9.702 13.575 1.00 0.58 H new ATOM 1098 N PRO A 72 9.081 -9.236 10.635 1.00 0.30 N ATOM 1099 CA PRO A 72 9.388 -10.056 9.458 1.00 0.33 C ATOM 1100 C PRO A 72 8.394 -11.204 9.296 1.00 0.31 C ATOM 1101 O PRO A 72 8.389 -12.151 10.089 1.00 0.44 O ATOM 1102 CB PRO A 72 10.799 -10.596 9.736 1.00 0.44 C ATOM 1103 CG PRO A 72 11.007 -10.407 11.201 1.00 0.50 C ATOM 1104 CD PRO A 72 10.212 -9.188 11.574 1.00 0.41 C ATOM 0 HA PRO A 72 9.326 -9.482 8.533 1.00 0.33 H new ATOM 0 HB2 PRO A 72 10.880 -11.647 9.459 1.00 0.44 H new ATOM 0 HB3 PRO A 72 11.549 -10.055 9.159 1.00 0.44 H new ATOM 0 HG2 PRO A 72 10.669 -11.280 11.760 1.00 0.50 H new ATOM 0 HG3 PRO A 72 12.064 -10.270 11.431 1.00 0.50 H new ATOM 0 HD2 PRO A 72 9.878 -9.225 12.611 1.00 0.41 H new ATOM 0 HD3 PRO A 72 10.795 -8.274 11.459 1.00 0.41 H new ATOM 1112 N ASN A 73 7.552 -11.122 8.274 1.00 0.28 N ATOM 1113 CA ASN A 73 6.551 -12.156 8.041 1.00 0.31 C ATOM 1114 C ASN A 73 6.045 -12.139 6.600 1.00 0.28 C ATOM 1115 O ASN A 73 6.153 -11.125 5.901 1.00 0.31 O ATOM 1116 CB ASN A 73 5.378 -11.974 9.009 1.00 0.38 C ATOM 1117 CG ASN A 73 4.698 -13.289 9.338 1.00 0.72 C ATOM 1118 OD1 ASN A 73 3.792 -13.728 8.629 1.00 1.01 O ATOM 1119 ND2 ASN A 73 5.128 -13.925 10.419 1.00 1.26 N ATOM 0 H ASN A 73 7.541 -10.358 7.598 1.00 0.28 H new ATOM 0 HA ASN A 73 7.024 -13.122 8.216 1.00 0.31 H new ATOM 0 HB2 ASN A 73 5.737 -11.512 9.929 1.00 0.38 H new ATOM 0 HB3 ASN A 73 4.651 -11.290 8.571 1.00 0.38 H new ATOM 0 HD21 ASN A 73 4.705 -14.813 10.690 1.00 1.26 H new ATOM 0 HD22 ASN A 73 5.882 -13.527 10.979 1.00 1.26 H new ATOM 1126 N GLU A 74 5.477 -13.264 6.171 1.00 0.28 N ATOM 1127 CA GLU A 74 4.944 -13.407 4.815 1.00 0.30 C ATOM 1128 C GLU A 74 3.852 -12.372 4.543 1.00 0.28 C ATOM 1129 O GLU A 74 3.586 -12.032 3.391 1.00 0.31 O ATOM 1130 CB GLU A 74 4.375 -14.810 4.612 1.00 0.37 C ATOM 1131 CG GLU A 74 5.336 -15.928 4.984 1.00 0.45 C ATOM 1132 CD GLU A 74 4.658 -17.034 5.756 1.00 0.56 C ATOM 1133 OE1 GLU A 74 3.985 -16.735 6.762 1.00 0.66 O ATOM 1134 OE2 GLU A 74 4.787 -18.208 5.363 1.00 0.79 O ATOM 0 H GLU A 74 5.373 -14.098 6.748 1.00 0.28 H new ATOM 0 HA GLU A 74 5.764 -13.244 4.116 1.00 0.30 H new ATOM 0 HB2 GLU A 74 3.467 -14.912 5.207 1.00 0.37 H new ATOM 0 HB3 GLU A 74 4.086 -14.926 3.567 1.00 0.37 H new ATOM 0 HG2 GLU A 74 5.779 -16.340 4.077 1.00 0.45 H new ATOM 0 HG3 GLU A 74 6.152 -15.519 5.580 1.00 0.45 H new ATOM 1141 N GLU A 75 3.222 -11.881 5.609 1.00 0.28 N ATOM 1142 CA GLU A 75 2.165 -10.876 5.487 1.00 0.30 C ATOM 1143 C GLU A 75 2.612 -9.696 4.610 1.00 0.34 C ATOM 1144 O GLU A 75 1.778 -8.959 4.086 1.00 0.60 O ATOM 1145 CB GLU A 75 1.748 -10.361 6.873 1.00 0.37 C ATOM 1146 CG GLU A 75 1.471 -11.464 7.889 1.00 0.49 C ATOM 1147 CD GLU A 75 0.498 -12.510 7.378 1.00 0.53 C ATOM 1148 OE1 GLU A 75 -0.725 -12.244 7.373 1.00 1.26 O ATOM 1149 OE2 GLU A 75 0.949 -13.607 6.984 1.00 1.21 O ATOM 0 H GLU A 75 3.425 -12.163 6.568 1.00 0.28 H new ATOM 0 HA GLU A 75 1.311 -11.356 5.009 1.00 0.30 H new ATOM 0 HB2 GLU A 75 2.535 -9.714 7.260 1.00 0.37 H new ATOM 0 HB3 GLU A 75 0.854 -9.747 6.767 1.00 0.37 H new ATOM 0 HG2 GLU A 75 2.410 -11.949 8.156 1.00 0.49 H new ATOM 0 HG3 GLU A 75 1.072 -11.019 8.800 1.00 0.49 H new ATOM 1156 N CYS A 76 3.927 -9.523 4.460 1.00 0.25 N ATOM 1157 CA CYS A 76 4.486 -8.441 3.651 1.00 0.28 C ATOM 1158 C CYS A 76 4.419 -8.747 2.144 1.00 0.28 C ATOM 1159 O CYS A 76 4.768 -7.897 1.322 1.00 0.36 O ATOM 1160 CB CYS A 76 5.941 -8.198 4.065 1.00 0.31 C ATOM 1161 SG CYS A 76 6.476 -6.475 3.966 1.00 0.49 S ATOM 0 H CYS A 76 4.628 -10.124 4.893 1.00 0.25 H new ATOM 0 HA CYS A 76 3.887 -7.548 3.829 1.00 0.28 H new ATOM 0 HB2 CYS A 76 6.077 -8.548 5.088 1.00 0.31 H new ATOM 0 HB3 CYS A 76 6.590 -8.803 3.432 1.00 0.31 H new ATOM 0 HG CYS A 76 5.536 -5.702 4.423 1.00 0.49 H new ATOM 1167 N LEU A 77 3.985 -9.956 1.776 1.00 0.27 N ATOM 1168 CA LEU A 77 3.893 -10.333 0.367 1.00 0.31 C ATOM 1169 C LEU A 77 2.599 -9.820 -0.265 1.00 0.25 C ATOM 1170 O LEU A 77 1.506 -10.338 0.008 1.00 0.31 O ATOM 1171 CB LEU A 77 3.993 -11.856 0.205 1.00 0.41 C ATOM 1172 CG LEU A 77 5.420 -12.420 0.158 1.00 0.54 C ATOM 1173 CD1 LEU A 77 6.165 -11.893 -1.056 1.00 0.76 C ATOM 1174 CD2 LEU A 77 6.177 -12.083 1.434 1.00 0.58 C ATOM 0 H LEU A 77 3.695 -10.683 2.430 1.00 0.27 H new ATOM 0 HA LEU A 77 4.731 -9.868 -0.152 1.00 0.31 H new ATOM 0 HB2 LEU A 77 3.461 -12.328 1.031 1.00 0.41 H new ATOM 0 HB3 LEU A 77 3.477 -12.142 -0.712 1.00 0.41 H new ATOM 0 HG LEU A 77 5.352 -13.505 0.077 1.00 0.54 H new ATOM 0 HD11 LEU A 77 7.174 -12.305 -1.071 1.00 0.76 H new ATOM 0 HD12 LEU A 77 5.639 -12.190 -1.963 1.00 0.76 H new ATOM 0 HD13 LEU A 77 6.218 -10.805 -1.007 1.00 0.76 H new ATOM 0 HD21 LEU A 77 7.185 -12.493 1.378 1.00 0.58 H new ATOM 0 HD22 LEU A 77 6.231 -11.001 1.550 1.00 0.58 H new ATOM 0 HD23 LEU A 77 5.657 -12.514 2.290 1.00 0.58 H new ATOM 1186 N PHE A 78 2.729 -8.809 -1.119 1.00 0.21 N ATOM 1187 CA PHE A 78 1.580 -8.216 -1.792 1.00 0.21 C ATOM 1188 C PHE A 78 1.725 -8.323 -3.308 1.00 0.19 C ATOM 1189 O PHE A 78 2.797 -8.658 -3.820 1.00 0.23 O ATOM 1190 CB PHE A 78 1.420 -6.746 -1.391 1.00 0.26 C ATOM 1191 CG PHE A 78 1.284 -6.532 0.092 1.00 0.29 C ATOM 1192 CD1 PHE A 78 0.083 -6.780 0.737 1.00 0.46 C ATOM 1193 CD2 PHE A 78 2.360 -6.082 0.841 1.00 0.32 C ATOM 1194 CE1 PHE A 78 -0.043 -6.586 2.099 1.00 0.53 C ATOM 1195 CE2 PHE A 78 2.241 -5.886 2.204 1.00 0.38 C ATOM 1196 CZ PHE A 78 1.038 -6.137 2.834 1.00 0.45 C ATOM 0 H PHE A 78 3.623 -8.382 -1.361 1.00 0.21 H new ATOM 0 HA PHE A 78 0.691 -8.767 -1.484 1.00 0.21 H new ATOM 0 HB2 PHE A 78 2.282 -6.185 -1.752 1.00 0.26 H new ATOM 0 HB3 PHE A 78 0.541 -6.337 -1.890 1.00 0.26 H new ATOM 0 HD1 PHE A 78 -0.766 -7.129 0.168 1.00 0.46 H new ATOM 0 HD2 PHE A 78 3.303 -5.882 0.354 1.00 0.32 H new ATOM 0 HE1 PHE A 78 -0.985 -6.785 2.589 1.00 0.53 H new ATOM 0 HE2 PHE A 78 3.088 -5.537 2.776 1.00 0.38 H new ATOM 0 HZ PHE A 78 0.942 -5.983 3.899 1.00 0.45 H new ATOM 1206 N LEU A 79 0.636 -8.049 -4.015 1.00 0.21 N ATOM 1207 CA LEU A 79 0.623 -8.095 -5.471 1.00 0.21 C ATOM 1208 C LEU A 79 0.413 -6.685 -6.026 1.00 0.20 C ATOM 1209 O LEU A 79 -0.624 -6.067 -5.773 1.00 0.21 O ATOM 1210 CB LEU A 79 -0.497 -9.029 -5.956 1.00 0.24 C ATOM 1211 CG LEU A 79 -0.266 -9.713 -7.311 1.00 0.30 C ATOM 1212 CD1 LEU A 79 -0.022 -8.684 -8.404 1.00 0.34 C ATOM 1213 CD2 LEU A 79 0.891 -10.696 -7.225 1.00 0.35 C ATOM 0 H LEU A 79 -0.258 -7.790 -3.598 1.00 0.21 H new ATOM 0 HA LEU A 79 1.578 -8.480 -5.829 1.00 0.21 H new ATOM 0 HB2 LEU A 79 -0.649 -9.802 -5.203 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -1.422 -8.455 -6.015 1.00 0.24 H new ATOM 0 HG LEU A 79 -1.167 -10.269 -7.569 1.00 0.30 H new ATOM 0 HD11 LEU A 79 0.139 -9.194 -9.354 1.00 0.34 H new ATOM 0 HD12 LEU A 79 -0.889 -8.028 -8.486 1.00 0.34 H new ATOM 0 HD13 LEU A 79 0.859 -8.092 -8.156 1.00 0.34 H new ATOM 0 HD21 LEU A 79 1.038 -11.170 -8.195 1.00 0.35 H new ATOM 0 HD22 LEU A 79 1.799 -10.165 -6.939 1.00 0.35 H new ATOM 0 HD23 LEU A 79 0.666 -11.458 -6.479 1.00 0.35 H new ATOM 1225 N GLU A 80 1.403 -6.176 -6.761 1.00 0.21 N ATOM 1226 CA GLU A 80 1.318 -4.840 -7.352 1.00 0.22 C ATOM 1227 C GLU A 80 0.755 -4.935 -8.768 1.00 0.22 C ATOM 1228 O GLU A 80 1.481 -5.234 -9.720 1.00 0.35 O ATOM 1229 CB GLU A 80 2.699 -4.160 -7.358 1.00 0.28 C ATOM 1230 CG GLU A 80 2.737 -2.838 -8.123 1.00 0.33 C ATOM 1231 CD GLU A 80 3.864 -1.918 -7.683 1.00 0.36 C ATOM 1232 OE1 GLU A 80 5.046 -2.315 -7.769 1.00 0.57 O ATOM 1233 OE2 GLU A 80 3.574 -0.776 -7.265 1.00 0.45 O ATOM 0 H GLU A 80 2.273 -6.669 -6.961 1.00 0.21 H new ATOM 0 HA GLU A 80 0.647 -4.229 -6.748 1.00 0.22 H new ATOM 0 HB2 GLU A 80 3.009 -3.981 -6.328 1.00 0.28 H new ATOM 0 HB3 GLU A 80 3.427 -4.843 -7.796 1.00 0.28 H new ATOM 0 HG2 GLU A 80 2.842 -3.046 -9.188 1.00 0.33 H new ATOM 0 HG3 GLU A 80 1.785 -2.323 -7.991 1.00 0.33 H new ATOM 1240 N ARG A 81 -0.546 -4.703 -8.901 1.00 0.20 N ATOM 1241 CA ARG A 81 -1.204 -4.779 -10.197 1.00 0.23 C ATOM 1242 C ARG A 81 -1.352 -3.391 -10.824 1.00 0.20 C ATOM 1243 O ARG A 81 -2.337 -2.690 -10.587 1.00 0.24 O ATOM 1244 CB ARG A 81 -2.574 -5.449 -10.061 1.00 0.29 C ATOM 1245 CG ARG A 81 -3.259 -5.702 -11.392 1.00 0.39 C ATOM 1246 CD ARG A 81 -4.626 -6.334 -11.203 1.00 0.50 C ATOM 1247 NE ARG A 81 -5.292 -6.598 -12.480 1.00 0.69 N ATOM 1248 CZ ARG A 81 -6.475 -7.209 -12.596 1.00 0.81 C ATOM 1249 NH1 ARG A 81 -7.137 -7.608 -11.513 1.00 1.12 N ATOM 1250 NH2 ARG A 81 -6.999 -7.410 -13.798 1.00 1.02 N ATOM 0 H ARG A 81 -1.164 -4.461 -8.127 1.00 0.20 H new ATOM 0 HA ARG A 81 -0.580 -5.383 -10.856 1.00 0.23 H new ATOM 0 HB2 ARG A 81 -2.456 -6.397 -9.536 1.00 0.29 H new ATOM 0 HB3 ARG A 81 -3.217 -4.821 -9.444 1.00 0.29 H new ATOM 0 HG2 ARG A 81 -3.363 -4.762 -11.933 1.00 0.39 H new ATOM 0 HG3 ARG A 81 -2.637 -6.355 -12.004 1.00 0.39 H new ATOM 0 HD2 ARG A 81 -4.520 -7.267 -10.650 1.00 0.50 H new ATOM 0 HD3 ARG A 81 -5.249 -5.675 -10.599 1.00 0.50 H new ATOM 0 HE ARG A 81 -4.824 -6.297 -13.335 1.00 0.69 H new ATOM 0 HH11 ARG A 81 -6.742 -7.448 -10.586 1.00 1.12 H new ATOM 0 HH12 ARG A 81 -8.039 -8.074 -11.610 1.00 1.12 H new ATOM 0 HH21 ARG A 81 -6.499 -7.099 -14.631 1.00 1.02 H new ATOM 0 HH22 ARG A 81 -7.902 -7.876 -13.889 1.00 1.02 H new ATOM 1264 N LEU A 82 -0.364 -3.001 -11.619 1.00 0.22 N ATOM 1265 CA LEU A 82 -0.376 -1.706 -12.292 1.00 0.24 C ATOM 1266 C LEU A 82 -1.023 -1.838 -13.669 1.00 0.27 C ATOM 1267 O LEU A 82 -0.567 -2.631 -14.493 1.00 0.40 O ATOM 1268 CB LEU A 82 1.056 -1.172 -12.431 1.00 0.32 C ATOM 1269 CG LEU A 82 1.177 0.266 -12.939 1.00 0.36 C ATOM 1270 CD1 LEU A 82 0.684 1.254 -11.888 1.00 0.43 C ATOM 1271 CD2 LEU A 82 2.617 0.570 -13.328 1.00 0.54 C ATOM 0 H LEU A 82 0.462 -3.567 -11.815 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.957 -1.003 -11.695 1.00 0.24 H new ATOM 0 HB2 LEU A 82 1.545 -1.238 -11.459 1.00 0.32 H new ATOM 0 HB3 LEU A 82 1.605 -1.826 -13.109 1.00 0.32 H new ATOM 0 HG LEU A 82 0.549 0.372 -13.824 1.00 0.36 H new ATOM 0 HD11 LEU A 82 0.779 2.270 -12.271 1.00 0.43 H new ATOM 0 HD12 LEU A 82 -0.362 1.049 -11.658 1.00 0.43 H new ATOM 0 HD13 LEU A 82 1.281 1.150 -10.982 1.00 0.43 H new ATOM 0 HD21 LEU A 82 2.688 1.597 -13.688 1.00 0.54 H new ATOM 0 HD22 LEU A 82 3.263 0.445 -12.459 1.00 0.54 H new ATOM 0 HD23 LEU A 82 2.933 -0.113 -14.116 1.00 0.54 H new ATOM 1283 N GLU A 83 -2.080 -1.066 -13.922 1.00 0.28 N ATOM 1284 CA GLU A 83 -2.774 -1.128 -15.211 1.00 0.36 C ATOM 1285 C GLU A 83 -2.397 0.046 -16.120 1.00 0.44 C ATOM 1286 O GLU A 83 -3.109 0.351 -17.077 1.00 1.00 O ATOM 1287 CB GLU A 83 -4.290 -1.167 -15.005 1.00 0.42 C ATOM 1288 CG GLU A 83 -5.043 -1.752 -16.192 1.00 0.67 C ATOM 1289 CD GLU A 83 -6.542 -1.718 -16.010 1.00 0.91 C ATOM 1290 OE1 GLU A 83 -7.065 -2.495 -15.185 1.00 1.19 O ATOM 1291 OE2 GLU A 83 -7.208 -0.914 -16.691 1.00 1.24 O ATOM 0 H GLU A 83 -2.472 -0.397 -13.260 1.00 0.28 H new ATOM 0 HA GLU A 83 -2.456 -2.046 -15.705 1.00 0.36 H new ATOM 0 HB2 GLU A 83 -4.514 -1.756 -14.115 1.00 0.42 H new ATOM 0 HB3 GLU A 83 -4.651 -0.156 -14.817 1.00 0.42 H new ATOM 0 HG2 GLU A 83 -4.779 -1.198 -17.093 1.00 0.67 H new ATOM 0 HG3 GLU A 83 -4.724 -2.783 -16.346 1.00 0.67 H new ATOM 1298 N GLU A 84 -1.288 0.715 -15.808 1.00 0.37 N ATOM 1299 CA GLU A 84 -0.796 1.842 -16.607 1.00 0.38 C ATOM 1300 C GLU A 84 -1.702 3.077 -16.513 1.00 0.31 C ATOM 1301 O GLU A 84 -1.203 4.189 -16.325 1.00 0.32 O ATOM 1302 CB GLU A 84 -0.624 1.424 -18.070 1.00 0.50 C ATOM 1303 CG GLU A 84 0.139 2.438 -18.903 1.00 0.90 C ATOM 1304 CD GLU A 84 0.135 2.098 -20.380 1.00 0.94 C ATOM 1305 OE1 GLU A 84 -0.889 2.345 -21.047 1.00 1.14 O ATOM 1306 OE2 GLU A 84 1.156 1.579 -20.880 1.00 1.23 O ATOM 0 H GLU A 84 -0.706 0.495 -15.000 1.00 0.37 H new ATOM 0 HA GLU A 84 0.172 2.124 -16.192 1.00 0.38 H new ATOM 0 HB2 GLU A 84 -0.102 0.468 -18.108 1.00 0.50 H new ATOM 0 HB3 GLU A 84 -1.608 1.268 -18.513 1.00 0.50 H new ATOM 0 HG2 GLU A 84 -0.300 3.425 -18.760 1.00 0.90 H new ATOM 0 HG3 GLU A 84 1.168 2.493 -18.549 1.00 0.90 H new ATOM 1313 N ASN A 85 -3.017 2.893 -16.658 1.00 0.34 N ATOM 1314 CA ASN A 85 -3.971 4.009 -16.597 1.00 0.37 C ATOM 1315 C ASN A 85 -3.964 4.688 -15.224 1.00 0.29 C ATOM 1316 O ASN A 85 -4.947 4.637 -14.485 1.00 0.33 O ATOM 1317 CB ASN A 85 -5.389 3.534 -16.945 1.00 0.49 C ATOM 1318 CG ASN A 85 -6.406 4.666 -16.910 1.00 0.58 C ATOM 1319 OD1 ASN A 85 -6.070 5.828 -17.154 1.00 0.64 O ATOM 1320 ND2 ASN A 85 -7.655 4.341 -16.602 1.00 0.79 N ATOM 0 H ASN A 85 -3.448 1.982 -16.819 1.00 0.34 H new ATOM 0 HA ASN A 85 -3.654 4.745 -17.336 1.00 0.37 H new ATOM 0 HB2 ASN A 85 -5.385 3.084 -17.938 1.00 0.49 H new ATOM 0 HB3 ASN A 85 -5.691 2.756 -16.243 1.00 0.49 H new ATOM 0 HD21 ASN A 85 -8.374 5.063 -16.561 1.00 0.79 H new ATOM 0 HD22 ASN A 85 -7.896 3.369 -16.406 1.00 0.79 H new ATOM 1327 N HIS A 86 -2.835 5.313 -14.896 1.00 0.28 N ATOM 1328 CA HIS A 86 -2.645 6.039 -13.640 1.00 0.33 C ATOM 1329 C HIS A 86 -3.315 5.356 -12.444 1.00 0.30 C ATOM 1330 O HIS A 86 -3.820 6.030 -11.546 1.00 0.38 O ATOM 1331 CB HIS A 86 -3.156 7.476 -13.783 1.00 0.45 C ATOM 1332 CG HIS A 86 -4.650 7.600 -13.838 1.00 0.50 C ATOM 1333 ND1 HIS A 86 -5.374 7.481 -15.005 1.00 0.69 N ATOM 1334 CD2 HIS A 86 -5.555 7.844 -12.862 1.00 0.58 C ATOM 1335 CE1 HIS A 86 -6.655 7.653 -14.743 1.00 0.78 C ATOM 1336 NE2 HIS A 86 -6.793 7.874 -13.451 1.00 0.71 N ATOM 0 H HIS A 86 -2.015 5.330 -15.502 1.00 0.28 H new ATOM 0 HA HIS A 86 -1.574 6.044 -13.437 1.00 0.33 H new ATOM 0 HB2 HIS A 86 -2.785 8.066 -12.945 1.00 0.45 H new ATOM 0 HB3 HIS A 86 -2.734 7.910 -14.689 1.00 0.45 H new ATOM 0 HD1 HIS A 86 -4.981 7.290 -15.927 1.00 0.69 H new ATOM 0 HD2 HIS A 86 -5.342 7.988 -11.813 1.00 0.58 H new ATOM 0 HE1 HIS A 86 -7.457 7.619 -15.466 1.00 0.78 H new ATOM 1345 N TYR A 87 -3.308 4.027 -12.420 1.00 0.26 N ATOM 1346 CA TYR A 87 -3.918 3.299 -11.317 1.00 0.34 C ATOM 1347 C TYR A 87 -3.387 1.872 -11.235 1.00 0.24 C ATOM 1348 O TYR A 87 -2.987 1.278 -12.246 1.00 0.23 O ATOM 1349 CB TYR A 87 -5.455 3.316 -11.445 1.00 0.53 C ATOM 1350 CG TYR A 87 -6.078 1.998 -11.859 1.00 0.48 C ATOM 1351 CD1 TYR A 87 -6.379 1.025 -10.912 1.00 0.51 C ATOM 1352 CD2 TYR A 87 -6.374 1.730 -13.191 1.00 0.83 C ATOM 1353 CE1 TYR A 87 -6.953 -0.178 -11.280 1.00 0.75 C ATOM 1354 CE2 TYR A 87 -6.951 0.529 -13.567 1.00 1.03 C ATOM 1355 CZ TYR A 87 -7.238 -0.422 -12.605 1.00 0.95 C ATOM 1356 OH TYR A 87 -7.814 -1.623 -12.966 1.00 1.27 O ATOM 0 H TYR A 87 -2.892 3.440 -13.143 1.00 0.26 H new ATOM 0 HA TYR A 87 -3.647 3.800 -10.388 1.00 0.34 H new ATOM 0 HB2 TYR A 87 -5.881 3.617 -10.488 1.00 0.53 H new ATOM 0 HB3 TYR A 87 -5.736 4.078 -12.173 1.00 0.53 H new ATOM 0 HD1 TYR A 87 -6.161 1.212 -9.871 1.00 0.51 H new ATOM 0 HD2 TYR A 87 -6.150 2.471 -13.944 1.00 0.83 H new ATOM 0 HE1 TYR A 87 -7.177 -0.923 -10.531 1.00 0.75 H new ATOM 0 HE2 TYR A 87 -7.176 0.336 -14.606 1.00 1.03 H new ATOM 0 HH TYR A 87 -7.894 -1.667 -13.942 1.00 1.27 H new ATOM 1366 N ASN A 88 -3.369 1.340 -10.023 1.00 0.24 N ATOM 1367 CA ASN A 88 -2.907 -0.012 -9.772 1.00 0.20 C ATOM 1368 C ASN A 88 -3.705 -0.621 -8.622 1.00 0.20 C ATOM 1369 O ASN A 88 -4.303 0.108 -7.820 1.00 0.24 O ATOM 1370 CB ASN A 88 -1.411 -0.015 -9.442 1.00 0.21 C ATOM 1371 CG ASN A 88 -1.132 0.096 -7.954 1.00 0.20 C ATOM 1372 OD1 ASN A 88 -1.216 1.305 -7.422 1.00 0.24 O flip ATOM 1373 ND2 ASN A 88 -0.871 -0.900 -7.286 1.00 0.24 N flip ATOM 0 H ASN A 88 -3.675 1.836 -9.186 1.00 0.24 H new ATOM 0 HA ASN A 88 -3.060 -0.611 -10.670 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -0.962 -0.933 -9.823 1.00 0.21 H new ATOM 0 HB3 ASN A 88 -0.929 0.814 -9.959 1.00 0.21 H new ATOM 0 HD21 ASN A 88 -0.815 -1.815 -7.734 1.00 0.24 H new ATOM 0 HD22 ASN A 88 -0.710 -0.813 -6.283 1.00 0.24 H new ATOM 1380 N THR A 89 -3.724 -1.940 -8.553 1.00 0.23 N ATOM 1381 CA THR A 89 -4.442 -2.640 -7.504 1.00 0.26 C ATOM 1382 C THR A 89 -3.484 -3.447 -6.626 1.00 0.21 C ATOM 1383 O THR A 89 -2.718 -4.277 -7.125 1.00 0.25 O ATOM 1384 CB THR A 89 -5.515 -3.575 -8.098 1.00 0.34 C ATOM 1385 OG1 THR A 89 -5.264 -3.788 -9.501 1.00 0.57 O ATOM 1386 CG2 THR A 89 -6.906 -2.986 -7.896 1.00 0.72 C ATOM 0 H THR A 89 -3.247 -2.551 -9.216 1.00 0.23 H new ATOM 0 HA THR A 89 -4.933 -1.887 -6.887 1.00 0.26 H new ATOM 0 HB THR A 89 -5.466 -4.533 -7.581 1.00 0.34 H new ATOM 0 HG1 THR A 89 -6.114 -3.786 -9.989 1.00 0.57 H new ATOM 0 HG21 THR A 89 -7.651 -3.658 -8.321 1.00 0.72 H new ATOM 0 HG22 THR A 89 -7.097 -2.860 -6.830 1.00 0.72 H new ATOM 0 HG23 THR A 89 -6.967 -2.017 -8.392 1.00 0.72 H new ATOM 1394 N TYR A 90 -3.519 -3.179 -5.324 1.00 0.21 N ATOM 1395 CA TYR A 90 -2.670 -3.878 -4.368 1.00 0.21 C ATOM 1396 C TYR A 90 -3.490 -4.919 -3.611 1.00 0.23 C ATOM 1397 O TYR A 90 -4.420 -4.569 -2.879 1.00 0.28 O ATOM 1398 CB TYR A 90 -2.051 -2.893 -3.368 1.00 0.27 C ATOM 1399 CG TYR A 90 -0.903 -2.073 -3.912 1.00 0.25 C ATOM 1400 CD1 TYR A 90 0.300 -2.671 -4.271 1.00 0.26 C ATOM 1401 CD2 TYR A 90 -1.013 -0.694 -4.042 1.00 0.29 C ATOM 1402 CE1 TYR A 90 1.358 -1.918 -4.742 1.00 0.29 C ATOM 1403 CE2 TYR A 90 0.038 0.065 -4.518 1.00 0.31 C ATOM 1404 CZ TYR A 90 1.222 -0.550 -4.864 1.00 0.31 C ATOM 1405 OH TYR A 90 2.276 0.210 -5.324 1.00 0.36 O ATOM 0 H TYR A 90 -4.131 -2.478 -4.906 1.00 0.21 H new ATOM 0 HA TYR A 90 -1.868 -4.370 -4.918 1.00 0.21 H new ATOM 0 HB2 TYR A 90 -2.830 -2.215 -3.018 1.00 0.27 H new ATOM 0 HB3 TYR A 90 -1.701 -3.451 -2.500 1.00 0.27 H new ATOM 0 HD1 TYR A 90 0.409 -3.742 -4.180 1.00 0.26 H new ATOM 0 HD2 TYR A 90 -1.937 -0.207 -3.766 1.00 0.29 H new ATOM 0 HE1 TYR A 90 2.287 -2.397 -5.013 1.00 0.29 H new ATOM 0 HE2 TYR A 90 -0.067 1.135 -4.619 1.00 0.31 H new ATOM 0 HH TYR A 90 2.945 -0.375 -5.738 1.00 0.36 H new ATOM 1415 N ILE A 91 -3.155 -6.189 -3.797 1.00 0.22 N ATOM 1416 CA ILE A 91 -3.862 -7.273 -3.122 1.00 0.26 C ATOM 1417 C ILE A 91 -2.890 -8.173 -2.362 1.00 0.27 C ATOM 1418 O ILE A 91 -1.717 -8.288 -2.738 1.00 0.27 O ATOM 1419 CB ILE A 91 -4.678 -8.136 -4.110 1.00 0.28 C ATOM 1420 CG1 ILE A 91 -3.778 -8.694 -5.219 1.00 0.26 C ATOM 1421 CG2 ILE A 91 -5.826 -7.326 -4.697 1.00 0.33 C ATOM 1422 CD1 ILE A 91 -4.492 -9.639 -6.160 1.00 0.31 C ATOM 0 H ILE A 91 -2.399 -6.495 -4.409 1.00 0.22 H new ATOM 0 HA ILE A 91 -4.550 -6.802 -2.420 1.00 0.26 H new ATOM 0 HB ILE A 91 -5.098 -8.981 -3.564 1.00 0.28 H new ATOM 0 HG12 ILE A 91 -3.367 -7.864 -5.794 1.00 0.26 H new ATOM 0 HG13 ILE A 91 -2.936 -9.215 -4.764 1.00 0.26 H new ATOM 0 HG21 ILE A 91 -6.392 -7.947 -5.391 1.00 0.33 H new ATOM 0 HG22 ILE A 91 -6.482 -6.989 -3.894 1.00 0.33 H new ATOM 0 HG23 ILE A 91 -5.427 -6.461 -5.227 1.00 0.33 H new ATOM 0 HD11 ILE A 91 -3.794 -9.994 -6.918 1.00 0.31 H new ATOM 0 HD12 ILE A 91 -4.880 -10.488 -5.598 1.00 0.31 H new ATOM 0 HD13 ILE A 91 -5.318 -9.116 -6.643 1.00 0.31 H new ATOM 1434 N SER A 92 -3.380 -8.799 -1.298 1.00 0.33 N ATOM 1435 CA SER A 92 -2.567 -9.693 -0.482 1.00 0.37 C ATOM 1436 C SER A 92 -2.175 -10.944 -1.268 1.00 0.31 C ATOM 1437 O SER A 92 -3.037 -11.653 -1.791 1.00 0.44 O ATOM 1438 CB SER A 92 -3.339 -10.084 0.781 1.00 0.50 C ATOM 1439 OG SER A 92 -3.876 -8.939 1.422 1.00 0.82 O ATOM 0 H SER A 92 -4.344 -8.703 -0.979 1.00 0.33 H new ATOM 0 HA SER A 92 -1.653 -9.170 -0.200 1.00 0.37 H new ATOM 0 HB2 SER A 92 -4.144 -10.771 0.521 1.00 0.50 H new ATOM 0 HB3 SER A 92 -2.677 -10.613 1.467 1.00 0.50 H new ATOM 0 HG SER A 92 -3.537 -8.889 2.340 1.00 0.82 H new ATOM 1445 N LYS A 93 -0.876 -11.213 -1.346 1.00 0.31 N ATOM 1446 CA LYS A 93 -0.380 -12.377 -2.070 1.00 0.31 C ATOM 1447 C LYS A 93 -0.621 -13.651 -1.261 1.00 0.29 C ATOM 1448 O LYS A 93 -1.396 -14.517 -1.666 1.00 0.35 O ATOM 1449 CB LYS A 93 1.115 -12.205 -2.384 1.00 0.42 C ATOM 1450 CG LYS A 93 1.743 -13.370 -3.137 1.00 0.55 C ATOM 1451 CD LYS A 93 1.989 -14.561 -2.224 1.00 0.74 C ATOM 1452 CE LYS A 93 3.091 -15.467 -2.754 1.00 0.80 C ATOM 1453 NZ LYS A 93 2.766 -16.052 -4.084 1.00 0.80 N ATOM 0 H LYS A 93 -0.148 -10.641 -0.917 1.00 0.31 H new ATOM 0 HA LYS A 93 -0.923 -12.465 -3.011 1.00 0.31 H new ATOM 0 HB2 LYS A 93 1.247 -11.296 -2.971 1.00 0.42 H new ATOM 0 HB3 LYS A 93 1.655 -12.061 -1.448 1.00 0.42 H new ATOM 0 HG2 LYS A 93 1.089 -13.668 -3.957 1.00 0.55 H new ATOM 0 HG3 LYS A 93 2.686 -13.051 -3.581 1.00 0.55 H new ATOM 0 HD2 LYS A 93 2.259 -14.206 -1.229 1.00 0.74 H new ATOM 0 HD3 LYS A 93 1.068 -15.134 -2.119 1.00 0.74 H new ATOM 0 HE2 LYS A 93 4.018 -14.899 -2.829 1.00 0.80 H new ATOM 0 HE3 LYS A 93 3.267 -16.272 -2.041 1.00 0.80 H new ATOM 0 HZ1 LYS A 93 2.656 -17.082 -3.993 1.00 0.80 H new ATOM 0 HZ2 LYS A 93 1.879 -15.639 -4.437 1.00 0.80 H new ATOM 0 HZ3 LYS A 93 3.535 -15.844 -4.752 1.00 0.80 H new ATOM 1467 N LYS A 94 0.027 -13.744 -0.102 1.00 0.28 N ATOM 1468 CA LYS A 94 -0.105 -14.914 0.765 1.00 0.31 C ATOM 1469 C LYS A 94 -1.573 -15.230 1.055 1.00 0.31 C ATOM 1470 O LYS A 94 -1.961 -16.395 1.113 1.00 0.56 O ATOM 1471 CB LYS A 94 0.650 -14.697 2.081 1.00 0.36 C ATOM 1472 CG LYS A 94 0.445 -15.807 3.103 1.00 0.55 C ATOM 1473 CD LYS A 94 1.183 -15.499 4.395 1.00 0.55 C ATOM 1474 CE LYS A 94 0.843 -16.496 5.490 1.00 0.63 C ATOM 1475 NZ LYS A 94 1.473 -16.132 6.790 1.00 0.69 N ATOM 0 H LYS A 94 0.650 -13.022 0.260 1.00 0.28 H new ATOM 0 HA LYS A 94 0.331 -15.763 0.239 1.00 0.31 H new ATOM 0 HB2 LYS A 94 1.715 -14.607 1.866 1.00 0.36 H new ATOM 0 HB3 LYS A 94 0.332 -13.751 2.519 1.00 0.36 H new ATOM 0 HG2 LYS A 94 -0.619 -15.927 3.307 1.00 0.55 H new ATOM 0 HG3 LYS A 94 0.799 -16.753 2.694 1.00 0.55 H new ATOM 0 HD2 LYS A 94 2.257 -15.512 4.212 1.00 0.55 H new ATOM 0 HD3 LYS A 94 0.929 -14.493 4.728 1.00 0.55 H new ATOM 0 HE2 LYS A 94 -0.239 -16.545 5.612 1.00 0.63 H new ATOM 0 HE3 LYS A 94 1.176 -17.490 5.191 1.00 0.63 H new ATOM 0 HZ1 LYS A 94 1.244 -16.855 7.501 1.00 0.69 H new ATOM 0 HZ2 LYS A 94 2.505 -16.077 6.672 1.00 0.69 H new ATOM 0 HZ3 LYS A 94 1.110 -15.210 7.105 1.00 0.69 H new ATOM 1489 N HIS A 95 -2.387 -14.192 1.223 1.00 0.27 N ATOM 1490 CA HIS A 95 -3.805 -14.373 1.524 1.00 0.28 C ATOM 1491 C HIS A 95 -4.662 -14.280 0.259 1.00 0.27 C ATOM 1492 O HIS A 95 -5.771 -13.744 0.301 1.00 0.33 O ATOM 1493 CB HIS A 95 -4.274 -13.329 2.553 1.00 0.36 C ATOM 1494 CG HIS A 95 -3.616 -13.457 3.892 1.00 0.41 C ATOM 1495 ND1 HIS A 95 -4.008 -14.375 4.842 1.00 0.64 N ATOM 1496 CD2 HIS A 95 -2.589 -12.767 4.443 1.00 0.46 C ATOM 1497 CE1 HIS A 95 -3.253 -14.242 5.917 1.00 0.65 C ATOM 1498 NE2 HIS A 95 -2.384 -13.273 5.699 1.00 0.50 N ATOM 0 H HIS A 95 -2.091 -13.218 1.156 1.00 0.27 H new ATOM 0 HA HIS A 95 -3.928 -15.371 1.945 1.00 0.28 H new ATOM 0 HB2 HIS A 95 -4.080 -12.332 2.158 1.00 0.36 H new ATOM 0 HB3 HIS A 95 -5.353 -13.418 2.680 1.00 0.36 H new ATOM 0 HD2 HIS A 95 -2.034 -11.966 3.978 1.00 0.46 H new ATOM 0 HE1 HIS A 95 -3.333 -14.827 6.821 1.00 0.65 H new ATOM 0 HE2 HIS A 95 -1.675 -12.953 6.359 1.00 0.50 H new ATOM 1507 N ALA A 96 -4.158 -14.819 -0.854 1.00 0.31 N ATOM 1508 CA ALA A 96 -4.884 -14.791 -2.129 1.00 0.35 C ATOM 1509 C ALA A 96 -6.352 -15.185 -1.950 1.00 0.34 C ATOM 1510 O ALA A 96 -7.240 -14.583 -2.556 1.00 0.41 O ATOM 1511 CB ALA A 96 -4.216 -15.704 -3.148 1.00 0.44 C ATOM 0 H ALA A 96 -3.250 -15.281 -0.899 1.00 0.31 H new ATOM 0 HA ALA A 96 -4.854 -13.766 -2.499 1.00 0.35 H new ATOM 0 HB1 ALA A 96 -4.770 -15.669 -4.086 1.00 0.44 H new ATOM 0 HB2 ALA A 96 -3.192 -15.371 -3.318 1.00 0.44 H new ATOM 0 HB3 ALA A 96 -4.207 -16.726 -2.770 1.00 0.44 H new ATOM 1517 N GLU A 97 -6.601 -16.190 -1.105 1.00 0.34 N ATOM 1518 CA GLU A 97 -7.964 -16.657 -0.835 1.00 0.38 C ATOM 1519 C GLU A 97 -8.885 -15.494 -0.453 1.00 0.37 C ATOM 1520 O GLU A 97 -10.101 -15.563 -0.644 1.00 0.50 O ATOM 1521 CB GLU A 97 -7.954 -17.707 0.280 1.00 0.46 C ATOM 1522 CG GLU A 97 -7.375 -19.046 -0.149 1.00 0.57 C ATOM 1523 CD GLU A 97 -8.089 -19.632 -1.352 1.00 0.73 C ATOM 1524 OE1 GLU A 97 -9.291 -19.953 -1.237 1.00 0.97 O ATOM 1525 OE2 GLU A 97 -7.453 -19.779 -2.415 1.00 0.93 O ATOM 0 H GLU A 97 -5.876 -16.696 -0.596 1.00 0.34 H new ATOM 0 HA GLU A 97 -8.350 -17.109 -1.749 1.00 0.38 H new ATOM 0 HB2 GLU A 97 -7.378 -17.325 1.122 1.00 0.46 H new ATOM 0 HB3 GLU A 97 -8.974 -17.858 0.634 1.00 0.46 H new ATOM 0 HG2 GLU A 97 -6.318 -18.922 -0.384 1.00 0.57 H new ATOM 0 HG3 GLU A 97 -7.437 -19.748 0.683 1.00 0.57 H new ATOM 1532 N LYS A 98 -8.306 -14.434 0.101 1.00 0.33 N ATOM 1533 CA LYS A 98 -9.063 -13.254 0.490 1.00 0.38 C ATOM 1534 C LYS A 98 -8.364 -12.007 -0.051 1.00 0.37 C ATOM 1535 O LYS A 98 -8.123 -11.037 0.674 1.00 0.47 O ATOM 1536 CB LYS A 98 -9.212 -13.186 2.016 1.00 0.48 C ATOM 1537 CG LYS A 98 -10.140 -14.255 2.583 1.00 0.60 C ATOM 1538 CD LYS A 98 -10.237 -14.181 4.102 1.00 0.70 C ATOM 1539 CE LYS A 98 -10.973 -12.930 4.565 1.00 0.78 C ATOM 1540 NZ LYS A 98 -11.017 -12.824 6.050 1.00 0.89 N ATOM 0 H LYS A 98 -7.306 -14.370 0.291 1.00 0.33 H new ATOM 0 HA LYS A 98 -10.065 -13.310 0.065 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -8.228 -13.289 2.474 1.00 0.48 H new ATOM 0 HB3 LYS A 98 -9.591 -12.202 2.293 1.00 0.48 H new ATOM 0 HG2 LYS A 98 -11.134 -14.139 2.150 1.00 0.60 H new ATOM 0 HG3 LYS A 98 -9.778 -15.241 2.291 1.00 0.60 H new ATOM 0 HD2 LYS A 98 -10.753 -15.065 4.476 1.00 0.70 H new ATOM 0 HD3 LYS A 98 -9.235 -14.192 4.531 1.00 0.70 H new ATOM 0 HE2 LYS A 98 -10.483 -12.048 4.153 1.00 0.78 H new ATOM 0 HE3 LYS A 98 -11.990 -12.942 4.172 1.00 0.78 H new ATOM 0 HZ1 LYS A 98 -11.527 -11.959 6.321 1.00 0.89 H new ATOM 0 HZ2 LYS A 98 -11.508 -13.653 6.443 1.00 0.89 H new ATOM 0 HZ3 LYS A 98 -10.047 -12.786 6.424 1.00 0.89 H new ATOM 1554 N ASN A 99 -8.030 -12.059 -1.341 1.00 0.40 N ATOM 1555 CA ASN A 99 -7.345 -10.963 -2.024 1.00 0.48 C ATOM 1556 C ASN A 99 -8.233 -9.722 -2.131 1.00 0.44 C ATOM 1557 O ASN A 99 -8.730 -9.382 -3.207 1.00 0.78 O ATOM 1558 CB ASN A 99 -6.883 -11.408 -3.422 1.00 0.64 C ATOM 1559 CG ASN A 99 -8.022 -11.874 -4.321 1.00 0.72 C ATOM 1560 OD1 ASN A 99 -9.041 -12.386 -3.853 1.00 0.82 O ATOM 1561 ND2 ASN A 99 -7.852 -11.707 -5.624 1.00 1.07 N ATOM 0 H ASN A 99 -8.227 -12.861 -1.940 1.00 0.40 H new ATOM 0 HA ASN A 99 -6.472 -10.697 -1.428 1.00 0.48 H new ATOM 0 HB2 ASN A 99 -6.365 -10.579 -3.905 1.00 0.64 H new ATOM 0 HB3 ASN A 99 -6.160 -12.217 -3.316 1.00 0.64 H new ATOM 0 HD21 ASN A 99 -8.578 -12.006 -6.275 1.00 1.07 H new ATOM 0 HD22 ASN A 99 -6.995 -11.279 -5.976 1.00 1.07 H new ATOM 1568 N TRP A 100 -8.425 -9.047 -1.005 1.00 0.33 N ATOM 1569 CA TRP A 100 -9.241 -7.839 -0.959 1.00 0.32 C ATOM 1570 C TRP A 100 -8.385 -6.602 -1.211 1.00 0.32 C ATOM 1571 O TRP A 100 -7.226 -6.541 -0.795 1.00 0.46 O ATOM 1572 CB TRP A 100 -9.954 -7.731 0.390 1.00 0.38 C ATOM 1573 CG TRP A 100 -10.996 -8.787 0.592 1.00 0.41 C ATOM 1574 CD1 TRP A 100 -10.976 -9.798 1.507 1.00 0.54 C ATOM 1575 CD2 TRP A 100 -12.211 -8.941 -0.151 1.00 0.57 C ATOM 1576 NE1 TRP A 100 -12.106 -10.569 1.383 1.00 0.59 N ATOM 1577 CE2 TRP A 100 -12.879 -10.063 0.371 1.00 0.63 C ATOM 1578 CE3 TRP A 100 -12.798 -8.236 -1.207 1.00 0.83 C ATOM 1579 CZ2 TRP A 100 -14.106 -10.497 -0.126 1.00 0.85 C ATOM 1580 CZ3 TRP A 100 -14.015 -8.667 -1.699 1.00 1.09 C ATOM 1581 CH2 TRP A 100 -14.658 -9.789 -1.160 1.00 1.08 C ATOM 0 H TRP A 100 -8.025 -9.317 -0.107 1.00 0.33 H new ATOM 0 HA TRP A 100 -9.993 -7.900 -1.746 1.00 0.32 H new ATOM 0 HB2 TRP A 100 -9.217 -7.799 1.190 1.00 0.38 H new ATOM 0 HB3 TRP A 100 -10.421 -6.749 0.470 1.00 0.38 H new ATOM 0 HD1 TRP A 100 -10.187 -9.968 2.224 1.00 0.54 H new ATOM 0 HE1 TRP A 100 -12.333 -11.385 1.951 1.00 0.59 H new ATOM 0 HE3 TRP A 100 -12.309 -7.371 -1.630 1.00 0.83 H new ATOM 0 HZ2 TRP A 100 -14.604 -11.361 0.289 1.00 0.85 H new ATOM 0 HZ3 TRP A 100 -14.479 -8.130 -2.513 1.00 1.09 H new ATOM 0 HH2 TRP A 100 -15.608 -10.102 -1.568 1.00 1.08 H new ATOM 1592 N PHE A 101 -8.967 -5.617 -1.889 1.00 0.28 N ATOM 1593 CA PHE A 101 -8.264 -4.382 -2.220 1.00 0.29 C ATOM 1594 C PHE A 101 -8.032 -3.520 -0.979 1.00 0.29 C ATOM 1595 O PHE A 101 -8.953 -3.294 -0.183 1.00 0.38 O ATOM 1596 CB PHE A 101 -9.046 -3.584 -3.268 1.00 0.34 C ATOM 1597 CG PHE A 101 -9.284 -4.341 -4.545 1.00 0.41 C ATOM 1598 CD1 PHE A 101 -8.220 -4.850 -5.274 1.00 0.49 C ATOM 1599 CD2 PHE A 101 -10.573 -4.544 -5.014 1.00 0.54 C ATOM 1600 CE1 PHE A 101 -8.437 -5.547 -6.445 1.00 0.60 C ATOM 1601 CE2 PHE A 101 -10.794 -5.242 -6.186 1.00 0.64 C ATOM 1602 CZ PHE A 101 -9.724 -5.745 -6.902 1.00 0.64 C ATOM 0 H PHE A 101 -9.931 -5.651 -2.222 1.00 0.28 H new ATOM 0 HA PHE A 101 -7.292 -4.658 -2.630 1.00 0.29 H new ATOM 0 HB2 PHE A 101 -10.007 -3.289 -2.846 1.00 0.34 H new ATOM 0 HB3 PHE A 101 -8.502 -2.667 -3.495 1.00 0.34 H new ATOM 0 HD1 PHE A 101 -7.210 -4.699 -4.921 1.00 0.49 H new ATOM 0 HD2 PHE A 101 -11.412 -4.153 -4.458 1.00 0.54 H new ATOM 0 HE1 PHE A 101 -7.599 -5.938 -7.004 1.00 0.60 H new ATOM 0 HE2 PHE A 101 -11.802 -5.394 -6.542 1.00 0.64 H new ATOM 0 HZ PHE A 101 -9.895 -6.292 -7.817 1.00 0.64 H new ATOM 1612 N VAL A 102 -6.801 -3.045 -0.827 1.00 0.30 N ATOM 1613 CA VAL A 102 -6.424 -2.202 0.305 1.00 0.35 C ATOM 1614 C VAL A 102 -6.962 -0.768 0.119 1.00 0.55 C ATOM 1615 O VAL A 102 -8.092 -0.584 -0.346 1.00 1.36 O ATOM 1616 CB VAL A 102 -4.883 -2.193 0.491 1.00 0.57 C ATOM 1617 CG1 VAL A 102 -4.376 -3.592 0.809 1.00 0.67 C ATOM 1618 CG2 VAL A 102 -4.182 -1.637 -0.745 1.00 0.82 C ATOM 0 H VAL A 102 -6.039 -3.231 -1.480 1.00 0.30 H new ATOM 0 HA VAL A 102 -6.873 -2.618 1.207 1.00 0.35 H new ATOM 0 HB VAL A 102 -4.650 -1.539 1.331 1.00 0.57 H new ATOM 0 HG11 VAL A 102 -3.294 -3.567 0.936 1.00 0.67 H new ATOM 0 HG12 VAL A 102 -4.841 -3.947 1.729 1.00 0.67 H new ATOM 0 HG13 VAL A 102 -4.629 -4.266 -0.010 1.00 0.67 H new ATOM 0 HG21 VAL A 102 -3.104 -1.643 -0.585 1.00 0.82 H new ATOM 0 HG22 VAL A 102 -4.424 -2.255 -1.610 1.00 0.82 H new ATOM 0 HG23 VAL A 102 -4.517 -0.615 -0.924 1.00 0.82 H new ATOM 1628 N GLY A 103 -6.184 0.245 0.507 1.00 0.48 N ATOM 1629 CA GLY A 103 -6.618 1.621 0.344 1.00 0.46 C ATOM 1630 C GLY A 103 -6.946 2.294 1.661 1.00 0.41 C ATOM 1631 O GLY A 103 -7.898 1.896 2.348 1.00 0.59 O ATOM 0 H GLY A 103 -5.263 0.134 0.930 1.00 0.48 H new ATOM 0 HA2 GLY A 103 -5.836 2.186 -0.162 1.00 0.46 H new ATOM 0 HA3 GLY A 103 -7.497 1.646 -0.300 1.00 0.46 H new ATOM 1635 N LEU A 104 -6.166 3.312 2.007 1.00 0.37 N ATOM 1636 CA LEU A 104 -6.362 4.054 3.249 1.00 0.34 C ATOM 1637 C LEU A 104 -7.101 5.366 2.984 1.00 0.34 C ATOM 1638 O LEU A 104 -7.355 5.725 1.833 1.00 0.49 O ATOM 1639 CB LEU A 104 -5.012 4.335 3.924 1.00 0.38 C ATOM 1640 CG LEU A 104 -4.056 5.237 3.132 1.00 0.46 C ATOM 1641 CD1 LEU A 104 -3.521 6.354 4.016 1.00 0.69 C ATOM 1642 CD2 LEU A 104 -2.909 4.422 2.554 1.00 0.66 C ATOM 0 H LEU A 104 -5.386 3.645 1.440 1.00 0.37 H new ATOM 0 HA LEU A 104 -6.969 3.444 3.918 1.00 0.34 H new ATOM 0 HB2 LEU A 104 -5.199 4.795 4.894 1.00 0.38 H new ATOM 0 HB3 LEU A 104 -4.514 3.384 4.113 1.00 0.38 H new ATOM 0 HG LEU A 104 -4.611 5.685 2.308 1.00 0.46 H new ATOM 0 HD11 LEU A 104 -2.845 6.984 3.438 1.00 0.69 H new ATOM 0 HD12 LEU A 104 -4.352 6.956 4.384 1.00 0.69 H new ATOM 0 HD13 LEU A 104 -2.983 5.924 4.860 1.00 0.69 H new ATOM 0 HD21 LEU A 104 -2.241 5.078 1.996 1.00 0.66 H new ATOM 0 HD22 LEU A 104 -2.356 3.946 3.364 1.00 0.66 H new ATOM 0 HD23 LEU A 104 -3.306 3.657 1.887 1.00 0.66 H new ATOM 1654 N LYS A 105 -7.455 6.066 4.056 1.00 0.39 N ATOM 1655 CA LYS A 105 -8.159 7.336 3.954 1.00 0.41 C ATOM 1656 C LYS A 105 -7.342 8.455 4.593 1.00 0.32 C ATOM 1657 O LYS A 105 -6.729 8.258 5.647 1.00 0.34 O ATOM 1658 CB LYS A 105 -9.521 7.237 4.640 1.00 0.58 C ATOM 1659 CG LYS A 105 -10.551 8.200 4.078 1.00 0.58 C ATOM 1660 CD LYS A 105 -11.128 7.689 2.769 1.00 0.61 C ATOM 1661 CE LYS A 105 -12.386 8.446 2.375 1.00 0.73 C ATOM 1662 NZ LYS A 105 -12.101 9.845 1.956 1.00 0.60 N ATOM 0 H LYS A 105 -7.263 5.771 5.013 1.00 0.39 H new ATOM 0 HA LYS A 105 -8.303 7.565 2.898 1.00 0.41 H new ATOM 0 HB2 LYS A 105 -9.896 6.218 4.542 1.00 0.58 H new ATOM 0 HB3 LYS A 105 -9.398 7.430 5.706 1.00 0.58 H new ATOM 0 HG2 LYS A 105 -11.354 8.340 4.802 1.00 0.58 H new ATOM 0 HG3 LYS A 105 -10.091 9.175 3.919 1.00 0.58 H new ATOM 0 HD2 LYS A 105 -10.382 7.787 1.980 1.00 0.61 H new ATOM 0 HD3 LYS A 105 -11.356 6.627 2.862 1.00 0.61 H new ATOM 0 HE2 LYS A 105 -12.882 7.920 1.560 1.00 0.73 H new ATOM 0 HE3 LYS A 105 -13.079 8.456 3.216 1.00 0.73 H new ATOM 0 HZ1 LYS A 105 -12.970 10.280 1.586 1.00 0.60 H new ATOM 0 HZ2 LYS A 105 -11.762 10.390 2.774 1.00 0.60 H new ATOM 0 HZ3 LYS A 105 -11.372 9.844 1.215 1.00 0.60 H new ATOM 1676 N LYS A 106 -7.358 9.629 3.962 1.00 0.36 N ATOM 1677 CA LYS A 106 -6.611 10.789 4.460 1.00 0.46 C ATOM 1678 C LYS A 106 -6.821 10.985 5.963 1.00 0.51 C ATOM 1679 O LYS A 106 -5.908 11.410 6.671 1.00 0.67 O ATOM 1680 CB LYS A 106 -7.003 12.063 3.698 1.00 0.60 C ATOM 1681 CG LYS A 106 -8.466 12.454 3.836 1.00 0.67 C ATOM 1682 CD LYS A 106 -8.784 13.693 3.010 1.00 0.90 C ATOM 1683 CE LYS A 106 -10.179 14.226 3.292 1.00 1.14 C ATOM 1684 NZ LYS A 106 -10.415 15.525 2.610 1.00 1.43 N ATOM 0 H LYS A 106 -7.880 9.804 3.104 1.00 0.36 H new ATOM 0 HA LYS A 106 -5.553 10.593 4.288 1.00 0.46 H new ATOM 0 HB2 LYS A 106 -6.384 12.888 4.052 1.00 0.60 H new ATOM 0 HB3 LYS A 106 -6.775 11.924 2.641 1.00 0.60 H new ATOM 0 HG2 LYS A 106 -9.098 11.627 3.514 1.00 0.67 H new ATOM 0 HG3 LYS A 106 -8.698 12.643 4.884 1.00 0.67 H new ATOM 0 HD2 LYS A 106 -8.050 14.469 3.225 1.00 0.90 H new ATOM 0 HD3 LYS A 106 -8.695 13.454 1.950 1.00 0.90 H new ATOM 0 HE2 LYS A 106 -10.921 13.500 2.960 1.00 1.14 H new ATOM 0 HE3 LYS A 106 -10.312 14.349 4.367 1.00 1.14 H new ATOM 0 HZ1 LYS A 106 -11.376 15.860 2.824 1.00 1.43 H new ATOM 0 HZ2 LYS A 106 -9.722 16.224 2.946 1.00 1.43 H new ATOM 0 HZ3 LYS A 106 -10.312 15.401 1.583 1.00 1.43 H new ATOM 1698 N ASN A 107 -8.026 10.672 6.441 1.00 0.53 N ATOM 1699 CA ASN A 107 -8.354 10.788 7.865 1.00 0.70 C ATOM 1700 C ASN A 107 -7.301 10.090 8.737 1.00 0.65 C ATOM 1701 O ASN A 107 -7.085 10.475 9.889 1.00 0.82 O ATOM 1702 CB ASN A 107 -9.744 10.190 8.137 1.00 0.83 C ATOM 1703 CG ASN A 107 -9.883 9.631 9.544 1.00 1.04 C ATOM 1704 OD1 ASN A 107 -9.642 8.444 9.779 1.00 1.17 O ATOM 1705 ND2 ASN A 107 -10.268 10.475 10.489 1.00 1.38 N ATOM 0 H ASN A 107 -8.795 10.335 5.861 1.00 0.53 H new ATOM 0 HA ASN A 107 -8.360 11.847 8.125 1.00 0.70 H new ATOM 0 HB2 ASN A 107 -10.501 10.958 7.980 1.00 0.83 H new ATOM 0 HB3 ASN A 107 -9.940 9.397 7.415 1.00 0.83 H new ATOM 0 HD21 ASN A 107 -10.374 10.150 11.450 1.00 1.38 H new ATOM 0 HD22 ASN A 107 -10.458 11.450 10.256 1.00 1.38 H new ATOM 1712 N GLY A 108 -6.636 9.085 8.174 1.00 0.49 N ATOM 1713 CA GLY A 108 -5.634 8.345 8.909 1.00 0.55 C ATOM 1714 C GLY A 108 -6.144 6.980 9.313 1.00 0.52 C ATOM 1715 O GLY A 108 -5.960 6.547 10.451 1.00 1.00 O ATOM 0 H GLY A 108 -6.777 8.771 7.214 1.00 0.49 H new ATOM 0 HA2 GLY A 108 -4.739 8.234 8.297 1.00 0.55 H new ATOM 0 HA3 GLY A 108 -5.345 8.905 9.798 1.00 0.55 H new ATOM 1719 N SER A 109 -6.808 6.310 8.379 1.00 0.52 N ATOM 1720 CA SER A 109 -7.361 4.988 8.621 1.00 0.56 C ATOM 1721 C SER A 109 -7.426 4.207 7.310 1.00 0.51 C ATOM 1722 O SER A 109 -7.536 4.803 6.235 1.00 0.81 O ATOM 1723 CB SER A 109 -8.760 5.105 9.245 1.00 0.75 C ATOM 1724 OG SER A 109 -9.504 6.168 8.659 1.00 0.97 O ATOM 0 H SER A 109 -6.976 6.667 7.439 1.00 0.52 H new ATOM 0 HA SER A 109 -6.716 4.453 9.318 1.00 0.56 H new ATOM 0 HB2 SER A 109 -9.298 4.166 9.113 1.00 0.75 H new ATOM 0 HB3 SER A 109 -8.668 5.272 10.318 1.00 0.75 H new ATOM 0 HG SER A 109 -9.158 7.026 8.981 1.00 0.97 H new ATOM 1730 N CYS A 110 -7.333 2.886 7.394 1.00 0.37 N ATOM 1731 CA CYS A 110 -7.388 2.039 6.208 1.00 0.38 C ATOM 1732 C CYS A 110 -8.665 1.211 6.220 1.00 0.36 C ATOM 1733 O CYS A 110 -9.123 0.780 7.280 1.00 0.54 O ATOM 1734 CB CYS A 110 -6.165 1.121 6.143 1.00 0.47 C ATOM 1735 SG CYS A 110 -4.581 1.986 6.234 1.00 0.61 S ATOM 0 H CYS A 110 -7.219 2.377 8.271 1.00 0.37 H new ATOM 0 HA CYS A 110 -7.385 2.678 5.325 1.00 0.38 H new ATOM 0 HB2 CYS A 110 -6.221 0.402 6.961 1.00 0.47 H new ATOM 0 HB3 CYS A 110 -6.202 0.551 5.215 1.00 0.47 H new ATOM 0 HG CYS A 110 -3.611 1.123 6.173 1.00 0.61 H new ATOM 1741 N LYS A 111 -9.248 0.995 5.047 1.00 0.38 N ATOM 1742 CA LYS A 111 -10.475 0.221 4.949 1.00 0.44 C ATOM 1743 C LYS A 111 -10.309 -0.962 4.008 1.00 0.47 C ATOM 1744 O LYS A 111 -10.476 -0.833 2.790 1.00 0.88 O ATOM 1745 CB LYS A 111 -11.641 1.102 4.492 1.00 0.60 C ATOM 1746 CG LYS A 111 -12.020 2.183 5.494 1.00 0.69 C ATOM 1747 CD LYS A 111 -12.273 1.605 6.882 1.00 0.79 C ATOM 1748 CE LYS A 111 -12.457 2.700 7.924 1.00 0.94 C ATOM 1749 NZ LYS A 111 -12.226 2.197 9.306 1.00 1.27 N ATOM 0 H LYS A 111 -8.892 1.343 4.157 1.00 0.38 H new ATOM 0 HA LYS A 111 -10.699 -0.165 5.943 1.00 0.44 H new ATOM 0 HB2 LYS A 111 -11.379 1.573 3.544 1.00 0.60 H new ATOM 0 HB3 LYS A 111 -12.510 0.471 4.305 1.00 0.60 H new ATOM 0 HG2 LYS A 111 -11.222 2.924 5.549 1.00 0.69 H new ATOM 0 HG3 LYS A 111 -12.914 2.702 5.148 1.00 0.69 H new ATOM 0 HD2 LYS A 111 -13.161 0.974 6.857 1.00 0.79 H new ATOM 0 HD3 LYS A 111 -11.437 0.967 7.168 1.00 0.79 H new ATOM 0 HE2 LYS A 111 -11.768 3.518 7.716 1.00 0.94 H new ATOM 0 HE3 LYS A 111 -13.466 3.106 7.850 1.00 0.94 H new ATOM 0 HZ1 LYS A 111 -12.361 2.973 9.985 1.00 1.27 H new ATOM 0 HZ2 LYS A 111 -12.900 1.433 9.515 1.00 1.27 H new ATOM 0 HZ3 LYS A 111 -11.255 1.833 9.385 1.00 1.27 H new ATOM 1763 N ARG A 112 -9.933 -2.096 4.584 1.00 0.36 N ATOM 1764 CA ARG A 112 -9.765 -3.337 3.832 1.00 0.36 C ATOM 1765 C ARG A 112 -10.692 -4.407 4.405 1.00 0.37 C ATOM 1766 O ARG A 112 -11.272 -5.202 3.663 1.00 0.47 O ATOM 1767 CB ARG A 112 -8.307 -3.814 3.890 1.00 0.39 C ATOM 1768 CG ARG A 112 -7.841 -4.558 2.645 1.00 0.42 C ATOM 1769 CD ARG A 112 -8.446 -5.953 2.549 1.00 0.55 C ATOM 1770 NE ARG A 112 -7.911 -6.870 3.567 1.00 0.81 N ATOM 1771 CZ ARG A 112 -8.659 -7.573 4.434 1.00 1.24 C ATOM 1772 NH1 ARG A 112 -9.989 -7.451 4.442 1.00 1.69 N ATOM 1773 NH2 ARG A 112 -8.066 -8.399 5.300 1.00 1.57 N ATOM 0 H ARG A 112 -9.736 -2.184 5.581 1.00 0.36 H new ATOM 0 HA ARG A 112 -10.021 -3.155 2.788 1.00 0.36 H new ATOM 0 HB2 ARG A 112 -7.660 -2.951 4.046 1.00 0.39 H new ATOM 0 HB3 ARG A 112 -8.184 -4.465 4.755 1.00 0.39 H new ATOM 0 HG2 ARG A 112 -8.112 -3.985 1.758 1.00 0.42 H new ATOM 0 HG3 ARG A 112 -6.754 -4.635 2.655 1.00 0.42 H new ATOM 0 HD2 ARG A 112 -9.528 -5.885 2.659 1.00 0.55 H new ATOM 0 HD3 ARG A 112 -8.252 -6.362 1.558 1.00 0.55 H new ATOM 0 HE ARG A 112 -6.898 -6.980 3.619 1.00 0.81 H new ATOM 0 HH11 ARG A 112 -10.447 -6.819 3.785 1.00 1.69 H new ATOM 0 HH12 ARG A 112 -10.547 -7.990 5.105 1.00 1.69 H new ATOM 0 HH21 ARG A 112 -7.050 -8.494 5.301 1.00 1.57 H new ATOM 0 HH22 ARG A 112 -8.629 -8.935 5.960 1.00 1.57 H new ATOM 1787 N GLY A 113 -10.817 -4.426 5.735 1.00 0.36 N ATOM 1788 CA GLY A 113 -11.684 -5.382 6.399 1.00 0.43 C ATOM 1789 C GLY A 113 -13.154 -5.004 6.312 1.00 0.41 C ATOM 1790 O GLY A 113 -13.963 -5.795 5.828 1.00 0.46 O ATOM 0 H GLY A 113 -10.328 -3.790 6.364 1.00 0.36 H new ATOM 0 HA2 GLY A 113 -11.540 -6.366 5.954 1.00 0.43 H new ATOM 0 HA3 GLY A 113 -11.395 -5.461 7.447 1.00 0.43 H new ATOM 1794 N PRO A 114 -13.530 -3.788 6.764 1.00 0.44 N ATOM 1795 CA PRO A 114 -14.923 -3.322 6.739 1.00 0.50 C ATOM 1796 C PRO A 114 -15.625 -3.622 5.415 1.00 0.41 C ATOM 1797 O PRO A 114 -16.718 -4.194 5.402 1.00 0.45 O ATOM 1798 CB PRO A 114 -14.781 -1.813 6.946 1.00 0.62 C ATOM 1799 CG PRO A 114 -13.563 -1.677 7.788 1.00 0.71 C ATOM 1800 CD PRO A 114 -12.628 -2.771 7.342 1.00 0.52 C ATOM 0 HA PRO A 114 -15.535 -3.820 7.491 1.00 0.50 H new ATOM 0 HB2 PRO A 114 -14.670 -1.289 5.997 1.00 0.62 H new ATOM 0 HB3 PRO A 114 -15.657 -1.394 7.441 1.00 0.62 H new ATOM 0 HG2 PRO A 114 -13.106 -0.696 7.658 1.00 0.71 H new ATOM 0 HG3 PRO A 114 -13.806 -1.778 8.846 1.00 0.71 H new ATOM 0 HD2 PRO A 114 -11.909 -2.409 6.607 1.00 0.52 H new ATOM 0 HD3 PRO A 114 -12.054 -3.173 8.177 1.00 0.52 H new ATOM 1808 N ARG A 115 -14.989 -3.241 4.307 1.00 0.38 N ATOM 1809 CA ARG A 115 -15.550 -3.461 2.977 1.00 0.39 C ATOM 1810 C ARG A 115 -14.676 -2.798 1.917 1.00 0.44 C ATOM 1811 O ARG A 115 -14.180 -1.687 2.120 1.00 0.81 O ATOM 1812 CB ARG A 115 -16.972 -2.896 2.897 1.00 0.51 C ATOM 1813 CG ARG A 115 -17.583 -2.952 1.506 1.00 0.57 C ATOM 1814 CD ARG A 115 -18.730 -1.964 1.369 1.00 0.69 C ATOM 1815 NE ARG A 115 -18.300 -0.586 1.631 1.00 0.90 N ATOM 1816 CZ ARG A 115 -19.115 0.394 2.028 1.00 1.11 C ATOM 1817 NH1 ARG A 115 -20.418 0.163 2.186 1.00 1.30 N ATOM 1818 NH2 ARG A 115 -18.629 1.608 2.268 1.00 1.47 N ATOM 0 H ARG A 115 -14.081 -2.777 4.306 1.00 0.38 H new ATOM 0 HA ARG A 115 -15.583 -4.535 2.793 1.00 0.39 H new ATOM 0 HB2 ARG A 115 -17.611 -3.449 3.586 1.00 0.51 H new ATOM 0 HB3 ARG A 115 -16.960 -1.860 3.236 1.00 0.51 H new ATOM 0 HG2 ARG A 115 -16.819 -2.731 0.761 1.00 0.57 H new ATOM 0 HG3 ARG A 115 -17.943 -3.961 1.304 1.00 0.57 H new ATOM 0 HD2 ARG A 115 -19.147 -2.029 0.364 1.00 0.69 H new ATOM 0 HD3 ARG A 115 -19.526 -2.234 2.063 1.00 0.69 H new ATOM 0 HE ARG A 115 -17.313 -0.362 1.501 1.00 0.90 H new ATOM 0 HH11 ARG A 115 -20.797 -0.766 2.003 1.00 1.30 H new ATOM 0 HH12 ARG A 115 -21.036 0.915 2.490 1.00 1.30 H new ATOM 0 HH21 ARG A 115 -17.633 1.791 2.149 1.00 1.47 H new ATOM 0 HH22 ARG A 115 -19.252 2.356 2.571 1.00 1.47 H new ATOM 1832 N THR A 116 -14.484 -3.477 0.795 1.00 0.36 N ATOM 1833 CA THR A 116 -13.677 -2.943 -0.289 1.00 0.38 C ATOM 1834 C THR A 116 -14.326 -3.258 -1.640 1.00 0.39 C ATOM 1835 O THR A 116 -14.582 -4.419 -1.966 1.00 0.51 O ATOM 1836 CB THR A 116 -12.224 -3.476 -0.228 1.00 0.45 C ATOM 1837 OG1 THR A 116 -11.361 -2.638 -1.004 1.00 0.57 O ATOM 1838 CG2 THR A 116 -12.126 -4.913 -0.727 1.00 0.58 C ATOM 0 H THR A 116 -14.877 -4.400 0.613 1.00 0.36 H new ATOM 0 HA THR A 116 -13.629 -1.860 -0.175 1.00 0.38 H new ATOM 0 HB THR A 116 -11.913 -3.461 0.816 1.00 0.45 H new ATOM 0 HG1 THR A 116 -10.479 -2.595 -0.580 1.00 0.57 H new ATOM 0 HG21 THR A 116 -11.091 -5.249 -0.668 1.00 0.58 H new ATOM 0 HG22 THR A 116 -12.752 -5.556 -0.109 1.00 0.58 H new ATOM 0 HG23 THR A 116 -12.465 -4.963 -1.762 1.00 0.58 H new ATOM 1846 N HIS A 117 -14.610 -2.205 -2.404 1.00 0.37 N ATOM 1847 CA HIS A 117 -15.249 -2.317 -3.717 1.00 0.39 C ATOM 1848 C HIS A 117 -15.754 -0.947 -4.159 1.00 0.36 C ATOM 1849 O HIS A 117 -15.309 -0.404 -5.169 1.00 0.42 O ATOM 1850 CB HIS A 117 -16.425 -3.305 -3.692 1.00 0.43 C ATOM 1851 CG HIS A 117 -16.152 -4.588 -4.407 1.00 0.57 C ATOM 1852 ND1 HIS A 117 -17.142 -5.477 -4.762 1.00 0.85 N ATOM 1853 CD2 HIS A 117 -14.990 -5.130 -4.842 1.00 0.77 C ATOM 1854 CE1 HIS A 117 -16.602 -6.507 -5.382 1.00 0.95 C ATOM 1855 NE2 HIS A 117 -15.297 -6.323 -5.448 1.00 0.89 N ATOM 0 H HIS A 117 -14.403 -1.245 -2.130 1.00 0.37 H new ATOM 0 HA HIS A 117 -14.504 -2.691 -4.420 1.00 0.39 H new ATOM 0 HB2 HIS A 117 -16.680 -3.525 -2.655 1.00 0.43 H new ATOM 0 HB3 HIS A 117 -17.297 -2.829 -4.141 1.00 0.43 H new ATOM 0 HD2 HIS A 117 -14.004 -4.703 -4.733 1.00 0.77 H new ATOM 0 HE1 HIS A 117 -17.138 -7.360 -5.771 1.00 0.95 H new ATOM 0 HE2 HIS A 117 -14.627 -6.961 -5.878 1.00 0.89 H new ATOM 1864 N TYR A 118 -16.683 -0.397 -3.381 1.00 0.38 N ATOM 1865 CA TYR A 118 -17.252 0.916 -3.670 1.00 0.41 C ATOM 1866 C TYR A 118 -16.252 2.013 -3.319 1.00 0.39 C ATOM 1867 O TYR A 118 -15.573 1.929 -2.294 1.00 0.48 O ATOM 1868 CB TYR A 118 -18.546 1.134 -2.878 1.00 0.51 C ATOM 1869 CG TYR A 118 -19.670 0.197 -3.262 1.00 0.56 C ATOM 1870 CD1 TYR A 118 -20.324 0.333 -4.478 1.00 0.79 C ATOM 1871 CD2 TYR A 118 -20.079 -0.814 -2.404 1.00 0.75 C ATOM 1872 CE1 TYR A 118 -21.357 -0.514 -4.830 1.00 0.92 C ATOM 1873 CE2 TYR A 118 -21.108 -1.667 -2.749 1.00 0.87 C ATOM 1874 CZ TYR A 118 -21.744 -1.514 -3.962 1.00 0.86 C ATOM 1875 OH TYR A 118 -22.774 -2.361 -4.306 1.00 1.05 O ATOM 0 H TYR A 118 -17.058 -0.842 -2.543 1.00 0.38 H new ATOM 0 HA TYR A 118 -17.479 0.959 -4.735 1.00 0.41 H new ATOM 0 HB2 TYR A 118 -18.334 1.014 -1.816 1.00 0.51 H new ATOM 0 HB3 TYR A 118 -18.879 2.162 -3.022 1.00 0.51 H new ATOM 0 HD1 TYR A 118 -20.021 1.113 -5.160 1.00 0.79 H new ATOM 0 HD2 TYR A 118 -19.585 -0.935 -1.452 1.00 0.75 H new ATOM 0 HE1 TYR A 118 -21.859 -0.394 -5.779 1.00 0.92 H new ATOM 0 HE2 TYR A 118 -21.413 -2.451 -2.071 1.00 0.87 H new ATOM 0 HH TYR A 118 -22.920 -3.009 -3.585 1.00 1.05 H new ATOM 1885 N GLY A 119 -16.169 3.034 -4.163 1.00 0.38 N ATOM 1886 CA GLY A 119 -15.250 4.125 -3.911 1.00 0.39 C ATOM 1887 C GLY A 119 -13.902 3.907 -4.566 1.00 0.37 C ATOM 1888 O GLY A 119 -13.236 2.897 -4.315 1.00 0.44 O ATOM 0 H GLY A 119 -16.721 3.125 -5.016 1.00 0.38 H new ATOM 0 HA2 GLY A 119 -15.684 5.055 -4.280 1.00 0.39 H new ATOM 0 HA3 GLY A 119 -15.114 4.241 -2.836 1.00 0.39 H new ATOM 1892 N GLN A 120 -13.492 4.866 -5.393 1.00 0.37 N ATOM 1893 CA GLN A 120 -12.216 4.791 -6.105 1.00 0.38 C ATOM 1894 C GLN A 120 -11.061 4.439 -5.164 1.00 0.37 C ATOM 1895 O GLN A 120 -10.090 3.811 -5.578 1.00 0.34 O ATOM 1896 CB GLN A 120 -11.921 6.115 -6.818 1.00 0.50 C ATOM 1897 CG GLN A 120 -12.986 6.516 -7.826 1.00 0.64 C ATOM 1898 CD GLN A 120 -12.565 7.684 -8.694 1.00 0.80 C ATOM 1899 OE1 GLN A 120 -12.016 7.500 -9.780 1.00 0.99 O ATOM 1900 NE2 GLN A 120 -12.821 8.896 -8.227 1.00 1.00 N ATOM 0 H GLN A 120 -14.029 5.711 -5.588 1.00 0.37 H new ATOM 0 HA GLN A 120 -12.303 3.995 -6.844 1.00 0.38 H new ATOM 0 HB2 GLN A 120 -11.822 6.905 -6.073 1.00 0.50 H new ATOM 0 HB3 GLN A 120 -10.961 6.037 -7.328 1.00 0.50 H new ATOM 0 HG2 GLN A 120 -13.217 5.662 -8.462 1.00 0.64 H new ATOM 0 HG3 GLN A 120 -13.902 6.776 -7.295 1.00 0.64 H new ATOM 0 HE21 GLN A 120 -13.278 9.008 -7.322 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -12.561 9.718 -8.772 1.00 1.00 H new ATOM 1909 N LYS A 121 -11.182 4.824 -3.891 1.00 0.51 N ATOM 1910 CA LYS A 121 -10.144 4.545 -2.893 1.00 0.61 C ATOM 1911 C LYS A 121 -9.780 3.056 -2.860 1.00 0.58 C ATOM 1912 O LYS A 121 -8.710 2.691 -2.374 1.00 0.70 O ATOM 1913 CB LYS A 121 -10.598 5.003 -1.496 1.00 0.89 C ATOM 1914 CG LYS A 121 -11.456 3.983 -0.752 1.00 1.06 C ATOM 1915 CD LYS A 121 -10.624 3.128 0.203 1.00 1.39 C ATOM 1916 CE LYS A 121 -10.792 1.637 -0.076 1.00 1.34 C ATOM 1917 NZ LYS A 121 -9.912 0.794 0.788 1.00 1.70 N ATOM 0 H LYS A 121 -11.989 5.330 -3.526 1.00 0.51 H new ATOM 0 HA LYS A 121 -9.255 5.106 -3.182 1.00 0.61 H new ATOM 0 HB2 LYS A 121 -9.717 5.227 -0.895 1.00 0.89 H new ATOM 0 HB3 LYS A 121 -11.161 5.931 -1.595 1.00 0.89 H new ATOM 0 HG2 LYS A 121 -12.233 4.502 -0.191 1.00 1.06 H new ATOM 0 HG3 LYS A 121 -11.960 3.338 -1.472 1.00 1.06 H new ATOM 0 HD2 LYS A 121 -9.572 3.399 0.110 1.00 1.39 H new ATOM 0 HD3 LYS A 121 -10.918 3.341 1.231 1.00 1.39 H new ATOM 0 HE2 LYS A 121 -11.833 1.355 0.085 1.00 1.34 H new ATOM 0 HE3 LYS A 121 -10.566 1.438 -1.124 1.00 1.34 H new ATOM 0 HZ1 LYS A 121 -9.260 0.247 0.190 1.00 1.70 H new ATOM 0 HZ2 LYS A 121 -9.366 1.405 1.428 1.00 1.70 H new ATOM 0 HZ3 LYS A 121 -10.497 0.142 1.348 1.00 1.70 H new ATOM 1931 N ALA A 122 -10.678 2.201 -3.346 1.00 0.54 N ATOM 1932 CA ALA A 122 -10.430 0.764 -3.363 1.00 0.65 C ATOM 1933 C ALA A 122 -9.712 0.318 -4.640 1.00 0.57 C ATOM 1934 O ALA A 122 -9.078 -0.736 -4.659 1.00 0.72 O ATOM 1935 CB ALA A 122 -11.739 0.004 -3.197 1.00 0.77 C ATOM 0 H ALA A 122 -11.580 2.479 -3.732 1.00 0.54 H new ATOM 0 HA ALA A 122 -9.771 0.535 -2.525 1.00 0.65 H new ATOM 0 HB1 ALA A 122 -11.542 -1.068 -3.211 1.00 0.77 H new ATOM 0 HB2 ALA A 122 -12.200 0.276 -2.247 1.00 0.77 H new ATOM 0 HB3 ALA A 122 -12.414 0.259 -4.014 1.00 0.77 H new ATOM 1941 N ILE A 123 -9.797 1.122 -5.700 1.00 0.43 N ATOM 1942 CA ILE A 123 -9.165 0.771 -6.971 1.00 0.48 C ATOM 1943 C ILE A 123 -8.622 2.017 -7.680 1.00 0.41 C ATOM 1944 O ILE A 123 -8.907 2.252 -8.856 1.00 0.61 O ATOM 1945 CB ILE A 123 -10.152 0.033 -7.915 1.00 0.61 C ATOM 1946 CG1 ILE A 123 -10.945 -1.043 -7.159 1.00 0.74 C ATOM 1947 CG2 ILE A 123 -9.403 -0.597 -9.082 1.00 0.77 C ATOM 1948 CD1 ILE A 123 -12.200 -0.520 -6.494 1.00 0.79 C ATOM 0 H ILE A 123 -10.293 2.013 -5.704 1.00 0.43 H new ATOM 0 HA ILE A 123 -8.337 0.101 -6.737 1.00 0.48 H new ATOM 0 HB ILE A 123 -10.857 0.770 -8.300 1.00 0.61 H new ATOM 0 HG12 ILE A 123 -11.217 -1.837 -7.855 1.00 0.74 H new ATOM 0 HG13 ILE A 123 -10.302 -1.490 -6.401 1.00 0.74 H new ATOM 0 HG21 ILE A 123 -10.110 -1.110 -9.734 1.00 0.77 H new ATOM 0 HG22 ILE A 123 -8.888 0.181 -9.646 1.00 0.77 H new ATOM 0 HG23 ILE A 123 -8.674 -1.313 -8.702 1.00 0.77 H new ATOM 0 HD11 ILE A 123 -12.707 -1.337 -5.980 1.00 0.79 H new ATOM 0 HD12 ILE A 123 -11.935 0.253 -5.773 1.00 0.79 H new ATOM 0 HD13 ILE A 123 -12.864 -0.099 -7.249 1.00 0.79 H new ATOM 1960 N LEU A 124 -7.837 2.817 -6.964 1.00 0.31 N ATOM 1961 CA LEU A 124 -7.256 4.028 -7.540 1.00 0.29 C ATOM 1962 C LEU A 124 -5.998 4.453 -6.780 1.00 0.26 C ATOM 1963 O LEU A 124 -5.945 5.530 -6.179 1.00 0.38 O ATOM 1964 CB LEU A 124 -8.287 5.165 -7.564 1.00 0.33 C ATOM 1965 CG LEU A 124 -7.901 6.384 -8.411 1.00 0.50 C ATOM 1966 CD1 LEU A 124 -7.602 5.974 -9.848 1.00 0.63 C ATOM 1967 CD2 LEU A 124 -9.010 7.424 -8.377 1.00 0.58 C ATOM 0 H LEU A 124 -7.589 2.651 -5.989 1.00 0.31 H new ATOM 0 HA LEU A 124 -6.966 3.805 -8.567 1.00 0.29 H new ATOM 0 HB2 LEU A 124 -9.231 4.769 -7.937 1.00 0.33 H new ATOM 0 HB3 LEU A 124 -8.462 5.496 -6.540 1.00 0.33 H new ATOM 0 HG LEU A 124 -6.997 6.822 -7.987 1.00 0.50 H new ATOM 0 HD11 LEU A 124 -7.331 6.856 -10.429 1.00 0.63 H new ATOM 0 HD12 LEU A 124 -6.775 5.264 -9.859 1.00 0.63 H new ATOM 0 HD13 LEU A 124 -8.486 5.509 -10.285 1.00 0.63 H new ATOM 0 HD21 LEU A 124 -8.722 8.283 -8.983 1.00 0.58 H new ATOM 0 HD22 LEU A 124 -9.927 6.991 -8.775 1.00 0.58 H new ATOM 0 HD23 LEU A 124 -9.177 7.744 -7.349 1.00 0.58 H new ATOM 1979 N PHE A 125 -4.989 3.589 -6.810 1.00 0.20 N ATOM 1980 CA PHE A 125 -3.721 3.862 -6.142 1.00 0.23 C ATOM 1981 C PHE A 125 -2.670 4.277 -7.169 1.00 0.17 C ATOM 1982 O PHE A 125 -2.527 3.628 -8.212 1.00 0.18 O ATOM 1983 CB PHE A 125 -3.237 2.629 -5.371 1.00 0.33 C ATOM 1984 CG PHE A 125 -4.273 2.035 -4.459 1.00 0.30 C ATOM 1985 CD1 PHE A 125 -4.865 2.802 -3.471 1.00 0.40 C ATOM 1986 CD2 PHE A 125 -4.657 0.710 -4.596 1.00 0.41 C ATOM 1987 CE1 PHE A 125 -5.821 2.261 -2.637 1.00 0.51 C ATOM 1988 CE2 PHE A 125 -5.613 0.162 -3.763 1.00 0.51 C ATOM 1989 CZ PHE A 125 -6.196 0.939 -2.784 1.00 0.54 C ATOM 0 H PHE A 125 -5.025 2.691 -7.292 1.00 0.20 H new ATOM 0 HA PHE A 125 -3.874 4.676 -5.433 1.00 0.23 H new ATOM 0 HB2 PHE A 125 -2.917 1.869 -6.084 1.00 0.33 H new ATOM 0 HB3 PHE A 125 -2.362 2.902 -4.781 1.00 0.33 H new ATOM 0 HD1 PHE A 125 -4.575 3.836 -3.352 1.00 0.40 H new ATOM 0 HD2 PHE A 125 -4.204 0.099 -5.363 1.00 0.41 H new ATOM 0 HE1 PHE A 125 -6.276 2.870 -1.870 1.00 0.51 H new ATOM 0 HE2 PHE A 125 -5.903 -0.872 -3.878 1.00 0.51 H new ATOM 0 HZ PHE A 125 -6.945 0.514 -2.132 1.00 0.54 H new ATOM 1999 N LEU A 126 -1.933 5.341 -6.871 1.00 0.18 N ATOM 2000 CA LEU A 126 -0.909 5.848 -7.778 1.00 0.19 C ATOM 2001 C LEU A 126 0.464 5.881 -7.103 1.00 0.20 C ATOM 2002 O LEU A 126 0.817 6.854 -6.433 1.00 0.33 O ATOM 2003 CB LEU A 126 -1.291 7.249 -8.268 1.00 0.32 C ATOM 2004 CG LEU A 126 -0.367 7.851 -9.333 1.00 0.39 C ATOM 2005 CD1 LEU A 126 -0.369 6.997 -10.592 1.00 0.44 C ATOM 2006 CD2 LEU A 126 -0.788 9.277 -9.659 1.00 0.59 C ATOM 0 H LEU A 126 -2.026 5.871 -6.005 1.00 0.18 H new ATOM 0 HA LEU A 126 -0.847 5.173 -8.631 1.00 0.19 H new ATOM 0 HB2 LEU A 126 -2.303 7.211 -8.670 1.00 0.32 H new ATOM 0 HB3 LEU A 126 -1.314 7.921 -7.410 1.00 0.32 H new ATOM 0 HG LEU A 126 0.647 7.871 -8.933 1.00 0.39 H new ATOM 0 HD11 LEU A 126 0.293 7.442 -11.335 1.00 0.44 H new ATOM 0 HD12 LEU A 126 -0.021 5.993 -10.351 1.00 0.44 H new ATOM 0 HD13 LEU A 126 -1.381 6.943 -10.994 1.00 0.44 H new ATOM 0 HD21 LEU A 126 -0.121 9.689 -10.417 1.00 0.59 H new ATOM 0 HD22 LEU A 126 -1.811 9.277 -10.037 1.00 0.59 H new ATOM 0 HD23 LEU A 126 -0.734 9.887 -8.758 1.00 0.59 H new ATOM 2018 N PRO A 127 1.242 4.800 -7.244 1.00 0.21 N ATOM 2019 CA PRO A 127 2.575 4.695 -6.685 1.00 0.29 C ATOM 2020 C PRO A 127 3.649 5.015 -7.727 1.00 0.25 C ATOM 2021 O PRO A 127 3.349 5.136 -8.919 1.00 0.38 O ATOM 2022 CB PRO A 127 2.636 3.223 -6.281 1.00 0.42 C ATOM 2023 CG PRO A 127 1.709 2.509 -7.225 1.00 0.43 C ATOM 2024 CD PRO A 127 0.882 3.561 -7.936 1.00 0.32 C ATOM 0 HA PRO A 127 2.757 5.391 -5.866 1.00 0.29 H new ATOM 0 HB2 PRO A 127 3.652 2.836 -6.361 1.00 0.42 H new ATOM 0 HB3 PRO A 127 2.323 3.087 -5.246 1.00 0.42 H new ATOM 0 HG2 PRO A 127 2.276 1.917 -7.944 1.00 0.43 H new ATOM 0 HG3 PRO A 127 1.065 1.819 -6.680 1.00 0.43 H new ATOM 0 HD2 PRO A 127 1.121 3.610 -8.998 1.00 0.32 H new ATOM 0 HD3 PRO A 127 -0.185 3.353 -7.859 1.00 0.32 H new ATOM 2032 N LEU A 128 4.894 5.153 -7.284 1.00 0.22 N ATOM 2033 CA LEU A 128 5.990 5.447 -8.204 1.00 0.21 C ATOM 2034 C LEU A 128 6.195 4.274 -9.163 1.00 0.23 C ATOM 2035 O LEU A 128 6.158 3.115 -8.743 1.00 0.26 O ATOM 2036 CB LEU A 128 7.286 5.738 -7.439 1.00 0.23 C ATOM 2037 CG LEU A 128 8.385 6.420 -8.261 1.00 0.30 C ATOM 2038 CD1 LEU A 128 7.970 7.833 -8.643 1.00 0.38 C ATOM 2039 CD2 LEU A 128 9.695 6.442 -7.488 1.00 0.37 C ATOM 0 H LEU A 128 5.169 5.068 -6.306 1.00 0.22 H new ATOM 0 HA LEU A 128 5.728 6.336 -8.777 1.00 0.21 H new ATOM 0 HB2 LEU A 128 7.050 6.369 -6.582 1.00 0.23 H new ATOM 0 HB3 LEU A 128 7.677 4.799 -7.046 1.00 0.23 H new ATOM 0 HG LEU A 128 8.533 5.846 -9.176 1.00 0.30 H new ATOM 0 HD11 LEU A 128 8.764 8.300 -9.226 1.00 0.38 H new ATOM 0 HD12 LEU A 128 7.057 7.796 -9.237 1.00 0.38 H new ATOM 0 HD13 LEU A 128 7.792 8.417 -7.740 1.00 0.38 H new ATOM 0 HD21 LEU A 128 10.463 6.930 -8.088 1.00 0.37 H new ATOM 0 HD22 LEU A 128 9.559 6.991 -6.556 1.00 0.37 H new ATOM 0 HD23 LEU A 128 10.003 5.420 -7.265 1.00 0.37 H new ATOM 2051 N PRO A 129 6.413 4.560 -10.460 1.00 0.27 N ATOM 2052 CA PRO A 129 6.609 3.527 -11.485 1.00 0.33 C ATOM 2053 C PRO A 129 7.596 2.439 -11.064 1.00 0.33 C ATOM 2054 O PRO A 129 7.408 1.265 -11.388 1.00 0.67 O ATOM 2055 CB PRO A 129 7.164 4.311 -12.672 1.00 0.45 C ATOM 2056 CG PRO A 129 6.600 5.681 -12.516 1.00 0.47 C ATOM 2057 CD PRO A 129 6.482 5.921 -11.034 1.00 0.30 C ATOM 0 HA PRO A 129 5.682 2.993 -11.693 1.00 0.33 H new ATOM 0 HB2 PRO A 129 8.254 4.328 -12.661 1.00 0.45 H new ATOM 0 HB3 PRO A 129 6.861 3.863 -13.619 1.00 0.45 H new ATOM 0 HG2 PRO A 129 7.249 6.424 -12.980 1.00 0.47 H new ATOM 0 HG3 PRO A 129 5.627 5.759 -13.002 1.00 0.47 H new ATOM 0 HD2 PRO A 129 7.339 6.474 -10.649 1.00 0.30 H new ATOM 0 HD3 PRO A 129 5.592 6.502 -10.793 1.00 0.30 H new ATOM 2065 N VAL A 130 8.645 2.837 -10.338 1.00 0.37 N ATOM 2066 CA VAL A 130 9.664 1.894 -9.879 1.00 0.35 C ATOM 2067 C VAL A 130 9.024 0.604 -9.367 1.00 0.38 C ATOM 2068 O VAL A 130 8.227 0.621 -8.422 1.00 0.57 O ATOM 2069 CB VAL A 130 10.569 2.509 -8.783 1.00 0.40 C ATOM 2070 CG1 VAL A 130 11.343 3.697 -9.339 1.00 0.47 C ATOM 2071 CG2 VAL A 130 9.755 2.923 -7.562 1.00 0.44 C ATOM 0 H VAL A 130 8.809 3.804 -10.057 1.00 0.37 H new ATOM 0 HA VAL A 130 10.291 1.660 -10.739 1.00 0.35 H new ATOM 0 HB VAL A 130 11.280 1.746 -8.466 1.00 0.40 H new ATOM 0 HG11 VAL A 130 11.974 4.118 -8.557 1.00 0.47 H new ATOM 0 HG12 VAL A 130 11.966 3.368 -10.171 1.00 0.47 H new ATOM 0 HG13 VAL A 130 10.643 4.456 -9.688 1.00 0.47 H new ATOM 0 HG21 VAL A 130 10.418 3.351 -6.810 1.00 0.44 H new ATOM 0 HG22 VAL A 130 9.012 3.665 -7.855 1.00 0.44 H new ATOM 0 HG23 VAL A 130 9.252 2.050 -7.147 1.00 0.44 H new ATOM 2081 N SER A 131 9.353 -0.503 -10.019 1.00 0.34 N ATOM 2082 CA SER A 131 8.809 -1.803 -9.656 1.00 0.40 C ATOM 2083 C SER A 131 9.703 -2.925 -10.192 1.00 0.39 C ATOM 2084 O SER A 131 10.563 -2.683 -11.044 1.00 0.47 O ATOM 2085 CB SER A 131 7.389 -1.929 -10.227 1.00 0.50 C ATOM 2086 OG SER A 131 7.293 -1.302 -11.503 1.00 0.88 O ATOM 0 H SER A 131 9.999 -0.525 -10.808 1.00 0.34 H new ATOM 0 HA SER A 131 8.772 -1.891 -8.570 1.00 0.40 H new ATOM 0 HB2 SER A 131 7.121 -2.982 -10.314 1.00 0.50 H new ATOM 0 HB3 SER A 131 6.675 -1.474 -9.540 1.00 0.50 H new ATOM 0 HG SER A 131 6.977 -0.381 -11.392 1.00 0.88 H new ATOM 2092 N SER A 132 9.518 -4.138 -9.680 1.00 0.48 N ATOM 2093 CA SER A 132 10.300 -5.280 -10.136 1.00 0.54 C ATOM 2094 C SER A 132 9.592 -5.964 -11.305 1.00 0.49 C ATOM 2095 O SER A 132 9.104 -7.090 -11.181 1.00 0.96 O ATOM 2096 CB SER A 132 10.535 -6.272 -8.991 1.00 0.76 C ATOM 2097 OG SER A 132 11.277 -5.678 -7.936 1.00 1.03 O ATOM 0 H SER A 132 8.836 -4.354 -8.953 1.00 0.48 H new ATOM 0 HA SER A 132 11.273 -4.923 -10.475 1.00 0.54 H new ATOM 0 HB2 SER A 132 9.576 -6.625 -8.610 1.00 0.76 H new ATOM 0 HB3 SER A 132 11.069 -7.145 -9.367 1.00 0.76 H new ATOM 0 HG SER A 132 11.217 -4.702 -8.003 1.00 1.03 H new ATOM 2103 N ASP A 133 9.525 -5.258 -12.435 1.00 0.56 N ATOM 2104 CA ASP A 133 8.874 -5.780 -13.636 1.00 0.58 C ATOM 2105 C ASP A 133 9.421 -7.158 -13.993 1.00 0.63 C ATOM 2106 O ASP A 133 10.600 -7.245 -14.396 1.00 0.80 O ATOM 2107 CB ASP A 133 9.064 -4.820 -14.819 1.00 0.80 C ATOM 2108 CG ASP A 133 8.795 -5.480 -16.163 1.00 0.92 C ATOM 2109 OD1 ASP A 133 7.659 -5.950 -16.391 1.00 1.06 O ATOM 2110 OD2 ASP A 133 9.715 -5.522 -17.003 1.00 1.07 O ATOM 2111 OXT ASP A 133 8.677 -8.148 -13.860 1.00 0.75 O ATOM 0 H ASP A 133 9.915 -4.322 -12.543 1.00 0.56 H new ATOM 0 HA ASP A 133 7.808 -5.870 -13.425 1.00 0.58 H new ATOM 0 HB2 ASP A 133 8.397 -3.966 -14.699 1.00 0.80 H new ATOM 0 HB3 ASP A 133 10.083 -4.433 -14.807 1.00 0.80 H new TER 2116 ASP A 133 HETATM 2117 C1 IHP A 134 -16.221 4.313 3.623 1.00 3.43 C HETATM 2118 C2 IHP A 134 -16.256 3.959 2.133 1.00 3.47 C HETATM 2119 C3 IHP A 134 -16.910 5.116 1.336 1.00 3.73 C HETATM 2120 C4 IHP A 134 -16.067 6.386 1.526 1.00 3.79 C HETATM 2121 C5 IHP A 134 -16.001 6.762 3.016 1.00 3.74 C HETATM 2122 C6 IHP A 134 -15.400 5.603 3.826 1.00 3.46 C HETATM 2123 O11 IHP A 134 -15.610 3.250 4.369 1.00 3.86 O HETATM 2124 P1 IHP A 134 -16.406 2.502 5.565 1.00 4.66 P HETATM 2125 O21 IHP A 134 -17.711 1.933 5.153 1.00 4.95 O HETATM 2126 O31 IHP A 134 -16.587 3.595 6.724 1.00 4.87 O HETATM 2127 O41 IHP A 134 -15.425 1.375 6.150 1.00 5.52 O HETATM 2128 O12 IHP A 134 -14.958 3.717 1.630 1.00 3.50 O HETATM 2129 P2 IHP A 134 -14.579 2.278 1.007 1.00 4.17 P HETATM 2130 O22 IHP A 134 -13.728 1.528 1.963 1.00 4.60 O HETATM 2131 O32 IHP A 134 -15.964 1.515 0.728 1.00 4.76 O HETATM 2132 O42 IHP A 134 -13.832 2.570 -0.373 1.00 4.45 O HETATM 2133 O13 IHP A 134 -16.942 4.791 -0.054 1.00 4.32 O HETATM 2134 P3 IHP A 134 -18.336 4.754 -0.860 1.00 5.22 P HETATM 2135 O23 IHP A 134 -19.168 5.909 -0.445 1.00 5.53 O HETATM 2136 O33 IHP A 134 -19.020 3.349 -0.478 1.00 5.46 O HETATM 2137 O43 IHP A 134 -18.017 4.795 -2.433 1.00 6.00 O HETATM 2138 O14 IHP A 134 -16.660 7.476 0.810 1.00 4.60 O HETATM 2139 P4 IHP A 134 -15.844 8.241 -0.355 1.00 5.38 P HETATM 2140 O24 IHP A 134 -16.209 7.672 -1.674 1.00 5.62 O HETATM 2141 O34 IHP A 134 -14.295 8.001 0.000 1.00 5.44 O HETATM 2142 O44 IHP A 134 -16.174 9.810 -0.261 1.00 6.32 O HETATM 2143 O15 IHP A 134 -15.191 7.919 3.193 1.00 4.36 O HETATM 2144 P5 IHP A 134 -15.776 9.263 3.856 1.00 5.27 P HETATM 2145 O25 IHP A 134 -16.927 9.747 3.065 1.00 5.62 O HETATM 2146 O35 IHP A 134 -16.214 8.892 5.364 1.00 5.32 O HETATM 2147 O45 IHP A 134 -14.589 10.340 3.892 1.00 6.16 O HETATM 2148 O16 IHP A 134 -15.352 5.974 5.207 1.00 4.02 O HETATM 2149 P6 IHP A 134 -13.962 6.085 6.006 1.00 4.66 P HETATM 2150 O26 IHP A 134 -14.163 6.480 7.427 1.00 5.55 O HETATM 2151 O36 IHP A 134 -13.142 7.204 5.191 1.00 4.84 O HETATM 2152 O46 IHP A 134 -13.201 4.685 5.885 1.00 4.67 O HETATM 0 H6 IHP A 134 -14.387 5.401 3.477 1.00 3.46 H new HETATM 0 H5 IHP A 134 -17.013 6.967 3.366 1.00 3.74 H new HETATM 0 H4 IHP A 134 -15.063 6.191 1.149 1.00 3.79 H new HETATM 0 H3 IHP A 134 -17.927 5.274 1.696 1.00 3.73 H new HETATM 0 H2 IHP A 134 -16.843 3.048 2.017 1.00 3.47 H new HETATM 0 H1 IHP A 134 -17.242 4.461 3.974 1.00 3.43 H new