USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 993 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 TYR OH : rot -122:sc= 0.165 USER MOD Set 1.2: A 93 GLN : amide:sc= -1.08 K(o=-0.91,f=-0.081) USER MOD Set 2.1: A 80 LYS NZ :NH3+ -121:sc= -0.418 (180deg=-0.714) USER MOD Set 2.2: A 84 THR OG1 : rot 84:sc= 1.24 USER MOD Set 3.1: A 31 TYR OH : rot -111:sc= 0.58 USER MOD Set 3.2: A 82 TYR OH : rot 120:sc= 0.748 USER MOD Set 4.1: A 9 ASN : amide:sc= 1.08 K(o=2.3,f=-3) USER MOD Set 4.2: A 14 LYS NZ :NH3+ 172:sc= 1.21 (180deg=0) USER MOD Single : A 1 LYS N :NH3+ -138:sc= -0.125 (180deg=-0.709) USER MOD Single : A 1 LYS NZ :NH3+ 155:sc= -0.235 (180deg=-0.965) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 6 LYS NZ :NH3+ -104:sc= -0.986 (180deg=-3.28!) USER MOD Single : A 8 ASN : amide:sc= -0.0164 X(o=-0.016,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 66:sc= 1.28 USER MOD Single : A 24 LYS NZ :NH3+ 166:sc= -0.029 (180deg=-0.213) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0439 USER MOD Single : A 28 SER OG : rot 180:sc= 0.029 USER MOD Single : A 32 GLN : amide:sc= 0.921 K(o=0.92,f=-0.12) USER MOD Single : A 34 SER OG : rot 73:sc= 1.19 USER MOD Single : A 37 THR OG1 : rot 81:sc= 0.262 USER MOD Single : A 41 THR OG1 : rot 71:sc= 1.3 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.262 K(o=0.26,f=-4.7!) USER MOD Single : A 50 LYS NZ :NH3+ -162:sc= 1.17 (180deg=1.01) USER MOD Single : A 57 THR OG1 : rot 93:sc= -0.573 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -121:sc= 1.27 (180deg=-0.133) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -111:sc= -0.859 (180deg=-2.87!) USER MOD Single : A 81 GLN : amide:sc= 0.168 X(o=0.17,f=-0.25) USER MOD Single : A 87 MET CE :methyl -139:sc= -1.93 (180deg=-5.34!) USER MOD Single : A 92 GLN : amide:sc= -1.53 K(o=-1.5,f=-0.37) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl 175:sc= -4.97! (180deg=-5.22!) USER MOD Single : A 99 ASN : amide:sc= -3.88! C(o=-3.9!,f=-2.9!) USER MOD Single : A 102 TYR OH : rot 165:sc=0.000151 USER MOD Single : A 109 GLN : amide:sc= -0.499 X(o=-0.5,f=-0.19) USER MOD Single : A 110 LYS NZ :NH3+ 170:sc= -0.0124 (180deg=-0.133) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0.339 K(o=0.34,f=-4.9!) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -42.686 -6.783 -3.256 1.00 0.00 N ATOM 2 CA LYS A 1 -41.562 -5.874 -3.570 1.00 0.00 C ATOM 3 C LYS A 1 -40.709 -5.644 -2.335 1.00 0.00 C ATOM 4 O LYS A 1 -41.202 -5.730 -1.209 1.00 0.00 O ATOM 5 CB LYS A 1 -42.094 -4.541 -4.093 1.00 0.00 C ATOM 6 CG LYS A 1 -42.960 -4.695 -5.325 1.00 0.00 C ATOM 7 CD LYS A 1 -43.633 -3.394 -5.706 1.00 0.00 C ATOM 8 CE LYS A 1 -44.695 -3.627 -6.763 1.00 0.00 C ATOM 9 NZ LYS A 1 -45.706 -4.617 -6.308 1.00 0.00 N ATOM 0 H1 LYS A 1 -42.809 -7.464 -4.032 1.00 0.00 H new ATOM 0 H2 LYS A 1 -42.482 -7.296 -2.375 1.00 0.00 H new ATOM 0 H3 LYS A 1 -43.558 -6.229 -3.140 1.00 0.00 H new ATOM 0 HA LYS A 1 -40.945 -6.336 -4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -42.671 -4.053 -3.308 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -41.254 -3.886 -4.325 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -42.349 -5.045 -6.157 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -43.718 -5.457 -5.143 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -44.085 -2.941 -4.824 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -42.889 -2.690 -6.080 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -45.188 -2.684 -7.000 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -44.225 -3.980 -7.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -46.601 -4.456 -6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -45.364 -5.579 -6.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -45.861 -4.510 -5.285 1.00 0.00 H new ATOM 25 N SER A 2 -39.430 -5.381 -2.543 1.00 0.00 N ATOM 26 CA SER A 2 -38.519 -5.082 -1.451 1.00 0.00 C ATOM 27 C SER A 2 -37.475 -4.063 -1.898 1.00 0.00 C ATOM 28 O SER A 2 -37.100 -4.018 -3.073 1.00 0.00 O ATOM 29 CB SER A 2 -37.837 -6.365 -0.964 1.00 0.00 C ATOM 30 OG SER A 2 -38.795 -7.314 -0.517 1.00 0.00 O ATOM 0 H SER A 2 -38.996 -5.369 -3.466 1.00 0.00 H new ATOM 0 HA SER A 2 -39.090 -4.656 -0.626 1.00 0.00 H new ATOM 0 HB2 SER A 2 -37.244 -6.795 -1.771 1.00 0.00 H new ATOM 0 HB3 SER A 2 -37.148 -6.129 -0.153 1.00 0.00 H new ATOM 0 HG SER A 2 -38.335 -8.124 -0.213 1.00 0.00 H new ATOM 36 N VAL A 3 -37.019 -3.241 -0.967 1.00 0.00 N ATOM 37 CA VAL A 3 -36.011 -2.235 -1.256 1.00 0.00 C ATOM 38 C VAL A 3 -34.822 -2.392 -0.316 1.00 0.00 C ATOM 39 O VAL A 3 -34.924 -2.178 0.893 1.00 0.00 O ATOM 40 CB VAL A 3 -36.575 -0.799 -1.169 1.00 0.00 C ATOM 41 CG1 VAL A 3 -37.494 -0.514 -2.349 1.00 0.00 C ATOM 42 CG2 VAL A 3 -37.319 -0.579 0.141 1.00 0.00 C ATOM 0 H VAL A 3 -37.334 -3.252 0.003 1.00 0.00 H new ATOM 0 HA VAL A 3 -35.683 -2.393 -2.283 1.00 0.00 H new ATOM 0 HB VAL A 3 -35.733 -0.107 -1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -37.882 0.502 -2.271 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -36.935 -0.619 -3.279 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -38.324 -1.221 -2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -37.705 0.440 0.174 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -38.148 -1.283 0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -36.638 -0.736 0.977 1.00 0.00 H new ATOM 52 N GLN A 4 -33.698 -2.791 -0.878 1.00 0.00 N ATOM 53 CA GLN A 4 -32.509 -3.055 -0.087 1.00 0.00 C ATOM 54 C GLN A 4 -31.492 -1.941 -0.257 1.00 0.00 C ATOM 55 O GLN A 4 -31.621 -1.104 -1.154 1.00 0.00 O ATOM 56 CB GLN A 4 -31.889 -4.393 -0.481 1.00 0.00 C ATOM 57 CG GLN A 4 -32.828 -5.569 -0.298 1.00 0.00 C ATOM 58 CD GLN A 4 -32.193 -6.884 -0.690 1.00 0.00 C ATOM 59 OE1 GLN A 4 -31.324 -6.933 -1.565 1.00 0.00 O ATOM 60 NE2 GLN A 4 -32.623 -7.957 -0.047 1.00 0.00 N ATOM 0 H GLN A 4 -33.582 -2.940 -1.880 1.00 0.00 H new ATOM 0 HA GLN A 4 -32.804 -3.100 0.961 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -31.576 -4.347 -1.524 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -30.991 -4.558 0.115 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -33.144 -5.618 0.744 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -33.725 -5.410 -0.896 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -33.344 -7.868 0.669 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -32.234 -8.874 -0.267 1.00 0.00 H new ATOM 69 N GLU A 5 -30.480 -1.942 0.602 1.00 0.00 N ATOM 70 CA GLU A 5 -29.444 -0.918 0.569 1.00 0.00 C ATOM 71 C GLU A 5 -28.709 -0.941 -0.768 1.00 0.00 C ATOM 72 O GLU A 5 -28.672 0.065 -1.476 1.00 0.00 O ATOM 73 CB GLU A 5 -28.463 -1.123 1.723 1.00 0.00 C ATOM 74 CG GLU A 5 -29.131 -1.187 3.087 1.00 0.00 C ATOM 75 CD GLU A 5 -29.981 0.034 3.377 1.00 0.00 C ATOM 76 OE1 GLU A 5 -29.421 1.067 3.798 1.00 0.00 O ATOM 77 OE2 GLU A 5 -31.213 -0.033 3.181 1.00 0.00 O ATOM 0 H GLU A 5 -30.355 -2.643 1.332 1.00 0.00 H new ATOM 0 HA GLU A 5 -29.916 0.058 0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -27.907 -2.046 1.557 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -27.738 -0.309 1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -29.754 -2.080 3.141 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -28.366 -1.284 3.858 1.00 0.00 H new ATOM 84 N LYS A 6 -28.138 -2.098 -1.106 1.00 0.00 N ATOM 85 CA LYS A 6 -27.444 -2.291 -2.382 1.00 0.00 C ATOM 86 C LYS A 6 -26.389 -1.207 -2.601 1.00 0.00 C ATOM 87 O LYS A 6 -26.345 -0.563 -3.651 1.00 0.00 O ATOM 88 CB LYS A 6 -28.448 -2.299 -3.545 1.00 0.00 C ATOM 89 CG LYS A 6 -29.531 -3.358 -3.407 1.00 0.00 C ATOM 90 CD LYS A 6 -30.431 -3.442 -4.636 1.00 0.00 C ATOM 91 CE LYS A 6 -31.347 -2.229 -4.791 1.00 0.00 C ATOM 92 NZ LYS A 6 -30.631 -1.027 -5.298 1.00 0.00 N ATOM 0 H LYS A 6 -28.143 -2.924 -0.507 1.00 0.00 H new ATOM 0 HA LYS A 6 -26.939 -3.257 -2.348 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -28.918 -1.318 -3.615 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -27.909 -2.462 -4.478 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -29.065 -4.328 -3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -30.140 -3.137 -2.530 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -29.811 -3.538 -5.527 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -31.040 -4.344 -4.572 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -32.159 -2.478 -5.474 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -31.801 -1.997 -3.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -30.472 -0.362 -4.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -29.716 -1.312 -5.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -31.204 -0.566 -6.033 1.00 0.00 H new ATOM 106 N ARG A 7 -25.543 -1.013 -1.599 1.00 0.00 N ATOM 107 CA ARG A 7 -24.527 0.028 -1.642 1.00 0.00 C ATOM 108 C ARG A 7 -23.267 -0.476 -2.342 1.00 0.00 C ATOM 109 O ARG A 7 -23.246 -1.579 -2.890 1.00 0.00 O ATOM 110 CB ARG A 7 -24.196 0.495 -0.220 1.00 0.00 C ATOM 111 CG ARG A 7 -25.418 0.922 0.579 1.00 0.00 C ATOM 112 CD ARG A 7 -25.041 1.381 1.976 1.00 0.00 C ATOM 113 NE ARG A 7 -26.218 1.615 2.814 1.00 0.00 N ATOM 114 CZ ARG A 7 -26.182 2.221 4.002 1.00 0.00 C ATOM 115 NH1 ARG A 7 -25.046 2.728 4.467 1.00 0.00 N ATOM 116 NH2 ARG A 7 -27.291 2.331 4.716 1.00 0.00 N ATOM 0 H ARG A 7 -25.541 -1.566 -0.742 1.00 0.00 H new ATOM 0 HA ARG A 7 -24.918 0.872 -2.210 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -23.689 -0.311 0.310 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -23.497 1.330 -0.274 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -25.931 1.729 0.056 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -26.119 0.090 0.646 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -24.406 0.630 2.445 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -24.455 2.298 1.910 1.00 0.00 H new ATOM 0 HE ARG A 7 -27.122 1.295 2.468 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -24.192 2.656 3.915 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -25.028 3.190 5.376 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -28.168 1.953 4.357 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -27.269 2.793 5.625 1.00 0.00 H new ATOM 130 N ASN A 8 -22.222 0.339 -2.324 1.00 0.00 N ATOM 131 CA ASN A 8 -20.965 -0.003 -2.978 1.00 0.00 C ATOM 132 C ASN A 8 -19.791 0.537 -2.172 1.00 0.00 C ATOM 133 O ASN A 8 -19.983 1.151 -1.123 1.00 0.00 O ATOM 134 CB ASN A 8 -20.931 0.564 -4.403 1.00 0.00 C ATOM 135 CG ASN A 8 -21.010 2.080 -4.438 1.00 0.00 C ATOM 136 OD1 ASN A 8 -22.098 2.655 -4.443 1.00 0.00 O ATOM 137 ND2 ASN A 8 -19.862 2.741 -4.476 1.00 0.00 N ATOM 0 H ASN A 8 -22.219 1.248 -1.861 1.00 0.00 H new ATOM 0 HA ASN A 8 -20.886 -1.089 -3.033 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -20.013 0.242 -4.895 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -21.762 0.149 -4.974 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -19.861 3.760 -4.511 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -18.979 2.230 -4.470 1.00 0.00 H new ATOM 144 N ASN A 9 -18.580 0.314 -2.661 1.00 0.00 N ATOM 145 CA ASN A 9 -17.385 0.771 -1.965 1.00 0.00 C ATOM 146 C ASN A 9 -17.072 2.212 -2.341 1.00 0.00 C ATOM 147 O ASN A 9 -16.840 2.520 -3.510 1.00 0.00 O ATOM 148 CB ASN A 9 -16.181 -0.118 -2.297 1.00 0.00 C ATOM 149 CG ASN A 9 -16.442 -1.588 -2.031 1.00 0.00 C ATOM 150 OD1 ASN A 9 -16.280 -2.069 -0.909 1.00 0.00 O ATOM 151 ND2 ASN A 9 -16.812 -2.318 -3.071 1.00 0.00 N ATOM 0 H ASN A 9 -18.398 -0.179 -3.535 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.579 0.710 -0.894 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -15.916 0.015 -3.346 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -15.323 0.206 -1.708 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -16.974 -3.319 -2.960 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -16.935 -1.880 -3.984 1.00 0.00 H new ATOM 158 N THR A 10 -17.085 3.093 -1.354 1.00 0.00 N ATOM 159 CA THR A 10 -16.733 4.484 -1.578 1.00 0.00 C ATOM 160 C THR A 10 -15.471 4.846 -0.798 1.00 0.00 C ATOM 161 O THR A 10 -15.376 4.590 0.403 1.00 0.00 O ATOM 162 CB THR A 10 -17.894 5.440 -1.208 1.00 0.00 C ATOM 163 OG1 THR A 10 -17.475 6.803 -1.345 1.00 0.00 O ATOM 164 CG2 THR A 10 -18.389 5.198 0.211 1.00 0.00 C ATOM 0 H THR A 10 -17.335 2.869 -0.391 1.00 0.00 H new ATOM 0 HA THR A 10 -16.538 4.606 -2.643 1.00 0.00 H new ATOM 0 HB THR A 10 -18.717 5.239 -1.894 1.00 0.00 H new ATOM 0 HG1 THR A 10 -18.217 7.399 -1.110 1.00 0.00 H new ATOM 0 HG21 THR A 10 -19.203 5.887 0.435 1.00 0.00 H new ATOM 0 HG22 THR A 10 -18.746 4.172 0.302 1.00 0.00 H new ATOM 0 HG23 THR A 10 -17.572 5.361 0.914 1.00 0.00 H new ATOM 172 N ARG A 11 -14.491 5.397 -1.516 1.00 0.00 N ATOM 173 CA ARG A 11 -13.200 5.794 -0.943 1.00 0.00 C ATOM 174 C ARG A 11 -12.436 4.597 -0.373 1.00 0.00 C ATOM 175 O ARG A 11 -11.427 4.768 0.306 1.00 0.00 O ATOM 176 CB ARG A 11 -13.375 6.856 0.144 1.00 0.00 C ATOM 177 CG ARG A 11 -14.096 8.110 -0.322 1.00 0.00 C ATOM 178 CD ARG A 11 -13.949 9.234 0.690 1.00 0.00 C ATOM 179 NE ARG A 11 -14.303 8.800 2.043 1.00 0.00 N ATOM 180 CZ ARG A 11 -14.527 9.633 3.059 1.00 0.00 C ATOM 181 NH1 ARG A 11 -14.522 10.943 2.870 1.00 0.00 N ATOM 182 NH2 ARG A 11 -14.780 9.156 4.270 1.00 0.00 N ATOM 0 H ARG A 11 -14.569 5.582 -2.516 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.616 6.217 -1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.928 6.420 0.976 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.393 7.135 0.525 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.694 8.428 -1.284 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -15.153 7.890 -0.475 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.921 9.597 0.682 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -14.585 10.070 0.399 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.383 7.798 2.219 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.346 11.323 1.940 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.695 11.572 3.654 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.804 8.148 4.427 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.951 9.797 5.045 1.00 0.00 H new ATOM 196 N ALA A 12 -12.909 3.392 -0.668 1.00 0.00 N ATOM 197 CA ALA A 12 -12.263 2.180 -0.191 1.00 0.00 C ATOM 198 C ALA A 12 -10.876 2.040 -0.801 1.00 0.00 C ATOM 199 O ALA A 12 -10.694 2.266 -2.002 1.00 0.00 O ATOM 200 CB ALA A 12 -13.112 0.959 -0.513 1.00 0.00 C ATOM 0 H ALA A 12 -13.740 3.230 -1.237 1.00 0.00 H new ATOM 0 HA ALA A 12 -12.158 2.250 0.892 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.612 0.062 -0.148 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -14.084 1.054 -0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.249 0.885 -1.592 1.00 0.00 H new ATOM 206 N PHE A 13 -9.909 1.659 0.032 1.00 0.00 N ATOM 207 CA PHE A 13 -8.516 1.530 -0.390 1.00 0.00 C ATOM 208 C PHE A 13 -8.401 0.638 -1.626 1.00 0.00 C ATOM 209 O PHE A 13 -7.562 0.869 -2.486 1.00 0.00 O ATOM 210 CB PHE A 13 -7.673 0.964 0.762 1.00 0.00 C ATOM 211 CG PHE A 13 -6.185 1.068 0.548 1.00 0.00 C ATOM 212 CD1 PHE A 13 -5.492 0.070 -0.119 1.00 0.00 C ATOM 213 CD2 PHE A 13 -5.479 2.165 1.020 1.00 0.00 C ATOM 214 CE1 PHE A 13 -4.128 0.164 -0.313 1.00 0.00 C ATOM 215 CE2 PHE A 13 -4.113 2.263 0.827 1.00 0.00 C ATOM 216 CZ PHE A 13 -3.438 1.261 0.159 1.00 0.00 C ATOM 0 H PHE A 13 -10.068 1.432 1.014 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.139 2.518 -0.654 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.934 1.489 1.681 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.935 -0.084 0.908 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.025 -0.792 -0.492 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.002 2.951 1.544 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.601 -0.622 -0.834 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.575 3.123 1.199 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.371 1.336 0.006 1.00 0.00 H new ATOM 226 N LYS A 14 -9.280 -0.357 -1.717 1.00 0.00 N ATOM 227 CA LYS A 14 -9.297 -1.290 -2.844 1.00 0.00 C ATOM 228 C LYS A 14 -9.463 -0.551 -4.174 1.00 0.00 C ATOM 229 O LYS A 14 -8.618 -0.648 -5.062 1.00 0.00 O ATOM 230 CB LYS A 14 -10.444 -2.291 -2.678 1.00 0.00 C ATOM 231 CG LYS A 14 -10.411 -3.052 -1.362 1.00 0.00 C ATOM 232 CD LYS A 14 -11.661 -3.898 -1.171 1.00 0.00 C ATOM 233 CE LYS A 14 -12.911 -3.031 -1.098 1.00 0.00 C ATOM 234 NZ LYS A 14 -14.132 -3.828 -0.814 1.00 0.00 N ATOM 0 H LYS A 14 -9.998 -0.540 -1.016 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.343 -1.817 -2.855 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.392 -1.759 -2.755 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.412 -3.005 -3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.530 -3.693 -1.334 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.319 -2.347 -0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.754 -4.605 -1.996 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.569 -4.485 -0.257 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.783 -2.277 -0.322 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.038 -2.499 -2.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.932 -3.187 -0.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.347 -4.436 -1.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.973 -4.420 0.026 1.00 0.00 H new ATOM 248 N THR A 15 -10.552 0.200 -4.287 1.00 0.00 N ATOM 249 CA THR A 15 -10.892 0.893 -5.523 1.00 0.00 C ATOM 250 C THR A 15 -9.899 2.023 -5.816 1.00 0.00 C ATOM 251 O THR A 15 -9.575 2.311 -6.973 1.00 0.00 O ATOM 252 CB THR A 15 -12.321 1.466 -5.433 1.00 0.00 C ATOM 253 OG1 THR A 15 -13.226 0.442 -4.987 1.00 0.00 O ATOM 254 CG2 THR A 15 -12.786 1.999 -6.780 1.00 0.00 C ATOM 0 H THR A 15 -11.220 0.345 -3.530 1.00 0.00 H new ATOM 0 HA THR A 15 -10.840 0.171 -6.338 1.00 0.00 H new ATOM 0 HB THR A 15 -12.311 2.291 -4.721 1.00 0.00 H new ATOM 0 HG1 THR A 15 -14.133 0.809 -4.929 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.797 2.396 -6.685 1.00 0.00 H new ATOM 0 HG22 THR A 15 -12.114 2.792 -7.109 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.781 1.192 -7.512 1.00 0.00 H new ATOM 262 N VAL A 16 -9.401 2.648 -4.764 1.00 0.00 N ATOM 263 CA VAL A 16 -8.474 3.754 -4.914 1.00 0.00 C ATOM 264 C VAL A 16 -7.088 3.257 -5.315 1.00 0.00 C ATOM 265 O VAL A 16 -6.439 3.843 -6.182 1.00 0.00 O ATOM 266 CB VAL A 16 -8.402 4.585 -3.622 1.00 0.00 C ATOM 267 CG1 VAL A 16 -7.387 5.711 -3.749 1.00 0.00 C ATOM 268 CG2 VAL A 16 -9.784 5.130 -3.299 1.00 0.00 C ATOM 0 H VAL A 16 -9.623 2.408 -3.798 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.845 4.396 -5.713 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.070 3.944 -2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.358 6.281 -2.821 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.401 5.291 -3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.674 6.368 -4.570 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.738 5.720 -2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.128 5.760 -4.120 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.479 4.302 -3.162 1.00 0.00 H new ATOM 278 N ALA A 17 -6.650 2.164 -4.700 1.00 0.00 N ATOM 279 CA ALA A 17 -5.395 1.522 -5.084 1.00 0.00 C ATOM 280 C ALA A 17 -5.449 1.075 -6.540 1.00 0.00 C ATOM 281 O ALA A 17 -4.450 1.130 -7.251 1.00 0.00 O ATOM 282 CB ALA A 17 -5.089 0.340 -4.181 1.00 0.00 C ATOM 0 H ALA A 17 -7.143 1.704 -3.935 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.594 2.253 -4.971 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.150 -0.119 -4.489 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.005 0.682 -3.150 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.893 -0.392 -4.256 1.00 0.00 H new ATOM 288 N LYS A 18 -6.629 0.639 -6.976 1.00 0.00 N ATOM 289 CA LYS A 18 -6.856 0.298 -8.378 1.00 0.00 C ATOM 290 C LYS A 18 -6.531 1.486 -9.279 1.00 0.00 C ATOM 291 O LYS A 18 -5.842 1.344 -10.290 1.00 0.00 O ATOM 292 CB LYS A 18 -8.312 -0.123 -8.594 1.00 0.00 C ATOM 293 CG LYS A 18 -8.674 -0.327 -10.057 1.00 0.00 C ATOM 294 CD LYS A 18 -10.178 -0.395 -10.258 1.00 0.00 C ATOM 295 CE LYS A 18 -10.536 -0.442 -11.736 1.00 0.00 C ATOM 296 NZ LYS A 18 -12.006 -0.403 -11.957 1.00 0.00 N ATOM 0 H LYS A 18 -7.445 0.513 -6.376 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.199 -0.533 -8.635 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.499 -1.048 -8.049 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.968 0.636 -8.168 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.264 0.490 -10.651 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.216 -1.247 -10.421 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.575 -1.278 -9.757 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.649 0.472 -9.795 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.070 0.400 -12.248 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.127 -1.350 -12.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.205 -0.437 -12.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.449 -1.220 -11.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.394 0.476 -11.558 1.00 0.00 H new ATOM 310 N SER A 19 -7.031 2.656 -8.900 1.00 0.00 N ATOM 311 CA SER A 19 -6.801 3.876 -9.664 1.00 0.00 C ATOM 312 C SER A 19 -5.313 4.228 -9.678 1.00 0.00 C ATOM 313 O SER A 19 -4.773 4.671 -10.694 1.00 0.00 O ATOM 314 CB SER A 19 -7.615 5.020 -9.058 1.00 0.00 C ATOM 315 OG SER A 19 -8.968 4.630 -8.863 1.00 0.00 O ATOM 0 H SER A 19 -7.601 2.786 -8.064 1.00 0.00 H new ATOM 0 HA SER A 19 -7.121 3.716 -10.694 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.177 5.319 -8.106 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.574 5.889 -9.714 1.00 0.00 H new ATOM 0 HG SER A 19 -9.470 5.376 -8.473 1.00 0.00 H new ATOM 321 N TRP A 20 -4.661 4.014 -8.543 1.00 0.00 N ATOM 322 CA TRP A 20 -3.226 4.249 -8.400 1.00 0.00 C ATOM 323 C TRP A 20 -2.437 3.295 -9.299 1.00 0.00 C ATOM 324 O TRP A 20 -1.538 3.711 -10.036 1.00 0.00 O ATOM 325 CB TRP A 20 -2.837 4.063 -6.927 1.00 0.00 C ATOM 326 CG TRP A 20 -1.370 4.186 -6.632 1.00 0.00 C ATOM 327 CD1 TRP A 20 -0.676 5.330 -6.359 1.00 0.00 C ATOM 328 CD2 TRP A 20 -0.422 3.113 -6.547 1.00 0.00 C ATOM 329 NE1 TRP A 20 0.645 5.034 -6.115 1.00 0.00 N ATOM 330 CE2 TRP A 20 0.826 3.679 -6.226 1.00 0.00 C ATOM 331 CE3 TRP A 20 -0.508 1.727 -6.717 1.00 0.00 C ATOM 332 CZ2 TRP A 20 1.975 2.907 -6.066 1.00 0.00 C ATOM 333 CZ3 TRP A 20 0.633 0.962 -6.557 1.00 0.00 C ATOM 334 CH2 TRP A 20 1.860 1.554 -6.236 1.00 0.00 C ATOM 0 H TRP A 20 -5.110 3.672 -7.693 1.00 0.00 H new ATOM 0 HA TRP A 20 -2.987 5.267 -8.708 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.374 4.800 -6.330 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.176 3.080 -6.600 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -1.102 6.322 -6.338 1.00 0.00 H new ATOM 0 HE1 TRP A 20 1.372 5.712 -5.888 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -1.450 1.262 -6.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.923 3.360 -5.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 0.576 -0.109 -6.682 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.734 0.930 -6.120 1.00 0.00 H new ATOM 345 N PHE A 21 -2.802 2.019 -9.239 1.00 0.00 N ATOM 346 CA PHE A 21 -2.154 0.972 -10.022 1.00 0.00 C ATOM 347 C PHE A 21 -2.365 1.197 -11.518 1.00 0.00 C ATOM 348 O PHE A 21 -1.467 0.963 -12.325 1.00 0.00 O ATOM 349 CB PHE A 21 -2.719 -0.389 -9.602 1.00 0.00 C ATOM 350 CG PHE A 21 -2.080 -1.574 -10.269 1.00 0.00 C ATOM 351 CD1 PHE A 21 -0.800 -1.977 -9.920 1.00 0.00 C ATOM 352 CD2 PHE A 21 -2.771 -2.304 -11.223 1.00 0.00 C ATOM 353 CE1 PHE A 21 -0.221 -3.083 -10.512 1.00 0.00 C ATOM 354 CE2 PHE A 21 -2.195 -3.408 -11.822 1.00 0.00 C ATOM 355 CZ PHE A 21 -0.920 -3.799 -11.466 1.00 0.00 C ATOM 0 H PHE A 21 -3.558 1.680 -8.644 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.081 0.998 -9.832 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.608 -0.495 -8.523 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.788 -0.403 -9.815 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.249 -1.420 -9.177 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.771 -2.007 -11.502 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.776 -3.388 -10.230 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.742 -3.965 -12.568 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.469 -4.663 -11.932 1.00 0.00 H new ATOM 365 N ALA A 22 -3.553 1.663 -11.877 1.00 0.00 N ATOM 366 CA ALA A 22 -3.878 1.937 -13.268 1.00 0.00 C ATOM 367 C ALA A 22 -3.106 3.149 -13.778 1.00 0.00 C ATOM 368 O ALA A 22 -2.697 3.195 -14.935 1.00 0.00 O ATOM 369 CB ALA A 22 -5.374 2.154 -13.429 1.00 0.00 C ATOM 0 H ALA A 22 -4.309 1.859 -11.221 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.585 1.072 -13.863 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.602 2.358 -14.475 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.908 1.259 -13.109 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.687 3.001 -12.818 1.00 0.00 H new ATOM 375 N THR A 23 -2.897 4.121 -12.903 1.00 0.00 N ATOM 376 CA THR A 23 -2.190 5.340 -13.268 1.00 0.00 C ATOM 377 C THR A 23 -0.689 5.088 -13.424 1.00 0.00 C ATOM 378 O THR A 23 -0.045 5.639 -14.321 1.00 0.00 O ATOM 379 CB THR A 23 -2.433 6.446 -12.222 1.00 0.00 C ATOM 380 OG1 THR A 23 -3.836 6.735 -12.139 1.00 0.00 O ATOM 381 CG2 THR A 23 -1.674 7.715 -12.577 1.00 0.00 C ATOM 0 H THR A 23 -3.208 4.089 -11.932 1.00 0.00 H new ATOM 0 HA THR A 23 -2.583 5.671 -14.230 1.00 0.00 H new ATOM 0 HB THR A 23 -2.071 6.087 -11.259 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.310 5.955 -11.782 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.865 8.477 -11.821 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.606 7.501 -12.615 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.006 8.078 -13.550 1.00 0.00 H new ATOM 389 N LYS A 24 -0.136 4.246 -12.564 1.00 0.00 N ATOM 390 CA LYS A 24 1.287 3.960 -12.606 1.00 0.00 C ATOM 391 C LYS A 24 1.615 2.868 -13.608 1.00 0.00 C ATOM 392 O LYS A 24 1.043 1.782 -13.578 1.00 0.00 O ATOM 393 CB LYS A 24 1.816 3.589 -11.226 1.00 0.00 C ATOM 394 CG LYS A 24 2.305 4.792 -10.449 1.00 0.00 C ATOM 395 CD LYS A 24 2.868 4.401 -9.100 1.00 0.00 C ATOM 396 CE LYS A 24 3.540 5.583 -8.419 1.00 0.00 C ATOM 397 NZ LYS A 24 2.653 6.776 -8.357 1.00 0.00 N ATOM 0 H LYS A 24 -0.649 3.752 -11.833 1.00 0.00 H new ATOM 0 HA LYS A 24 1.784 4.873 -12.933 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.028 3.091 -10.660 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.632 2.874 -11.333 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.071 5.310 -11.026 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.482 5.493 -10.310 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.067 4.020 -8.466 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.588 3.592 -9.224 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.834 5.299 -7.409 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.453 5.839 -8.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.048 7.468 -7.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.584 7.207 -9.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.706 6.488 -8.037 1.00 0.00 H new ATOM 411 N THR A 25 2.537 3.181 -14.499 1.00 0.00 N ATOM 412 CA THR A 25 3.015 2.236 -15.491 1.00 0.00 C ATOM 413 C THR A 25 4.518 2.394 -15.680 1.00 0.00 C ATOM 414 O THR A 25 5.087 1.956 -16.677 1.00 0.00 O ATOM 415 CB THR A 25 2.288 2.444 -16.830 1.00 0.00 C ATOM 416 OG1 THR A 25 1.987 3.839 -17.003 1.00 0.00 O ATOM 417 CG2 THR A 25 1.006 1.625 -16.887 1.00 0.00 C ATOM 0 H THR A 25 2.977 4.100 -14.555 1.00 0.00 H new ATOM 0 HA THR A 25 2.806 1.226 -15.138 1.00 0.00 H new ATOM 0 HB THR A 25 2.942 2.108 -17.635 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.525 3.971 -17.857 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.511 1.790 -17.844 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.245 0.567 -16.780 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.343 1.931 -16.078 1.00 0.00 H new ATOM 425 N THR A 26 5.156 3.024 -14.699 1.00 0.00 N ATOM 426 CA THR A 26 6.591 3.244 -14.731 1.00 0.00 C ATOM 427 C THR A 26 7.343 1.979 -14.332 1.00 0.00 C ATOM 428 O THR A 26 8.533 1.828 -14.613 1.00 0.00 O ATOM 429 CB THR A 26 6.978 4.392 -13.788 1.00 0.00 C ATOM 430 OG1 THR A 26 6.301 4.223 -12.533 1.00 0.00 O ATOM 431 CG2 THR A 26 6.615 5.741 -14.386 1.00 0.00 C ATOM 0 H THR A 26 4.694 3.392 -13.867 1.00 0.00 H new ATOM 0 HA THR A 26 6.867 3.509 -15.752 1.00 0.00 H new ATOM 0 HB THR A 26 8.057 4.367 -13.638 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.547 4.953 -11.928 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.901 6.534 -13.695 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.143 5.874 -15.330 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.540 5.784 -14.562 1.00 0.00 H new ATOM 439 N TRP A 27 6.641 1.082 -13.654 1.00 0.00 N ATOM 440 CA TRP A 27 7.188 -0.217 -13.311 1.00 0.00 C ATOM 441 C TRP A 27 6.890 -1.208 -14.429 1.00 0.00 C ATOM 442 O TRP A 27 6.044 -0.950 -15.287 1.00 0.00 O ATOM 443 CB TRP A 27 6.603 -0.730 -11.988 1.00 0.00 C ATOM 444 CG TRP A 27 7.232 -0.141 -10.758 1.00 0.00 C ATOM 445 CD1 TRP A 27 8.570 -0.014 -10.506 1.00 0.00 C ATOM 446 CD2 TRP A 27 6.555 0.362 -9.595 1.00 0.00 C ATOM 447 NE1 TRP A 27 8.766 0.546 -9.267 1.00 0.00 N ATOM 448 CE2 TRP A 27 7.548 0.783 -8.686 1.00 0.00 C ATOM 449 CE3 TRP A 27 5.211 0.503 -9.233 1.00 0.00 C ATOM 450 CZ2 TRP A 27 7.238 1.329 -7.442 1.00 0.00 C ATOM 451 CZ3 TRP A 27 4.907 1.045 -7.996 1.00 0.00 C ATOM 452 CH2 TRP A 27 5.915 1.452 -7.113 1.00 0.00 C ATOM 0 H TRP A 27 5.686 1.234 -13.330 1.00 0.00 H new ATOM 0 HA TRP A 27 8.266 -0.116 -13.189 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.534 -0.517 -11.971 1.00 0.00 H new ATOM 0 HB3 TRP A 27 6.713 -1.814 -11.953 1.00 0.00 H new ATOM 0 HD1 TRP A 27 9.358 -0.311 -11.182 1.00 0.00 H new ATOM 0 HE1 TRP A 27 9.672 0.752 -8.847 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.425 0.195 -9.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 8.015 1.644 -6.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.873 1.156 -7.706 1.00 0.00 H new ATOM 0 HH2 TRP A 27 5.644 1.871 -6.155 1.00 0.00 H new ATOM 463 N SER A 28 7.585 -2.332 -14.426 1.00 0.00 N ATOM 464 CA SER A 28 7.361 -3.361 -15.423 1.00 0.00 C ATOM 465 C SER A 28 6.151 -4.213 -15.050 1.00 0.00 C ATOM 466 O SER A 28 5.796 -4.308 -13.875 1.00 0.00 O ATOM 467 CB SER A 28 8.616 -4.223 -15.560 1.00 0.00 C ATOM 468 OG SER A 28 9.144 -4.567 -14.290 1.00 0.00 O ATOM 0 H SER A 28 8.309 -2.554 -13.743 1.00 0.00 H new ATOM 0 HA SER A 28 7.153 -2.890 -16.384 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.378 -5.130 -16.116 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.369 -3.685 -16.136 1.00 0.00 H new ATOM 0 HG SER A 28 9.945 -5.120 -14.407 1.00 0.00 H new ATOM 474 N GLU A 29 5.521 -4.816 -16.055 1.00 0.00 N ATOM 475 CA GLU A 29 4.343 -5.659 -15.854 1.00 0.00 C ATOM 476 C GLU A 29 4.606 -6.737 -14.805 1.00 0.00 C ATOM 477 O GLU A 29 3.798 -6.954 -13.899 1.00 0.00 O ATOM 478 CB GLU A 29 3.944 -6.319 -17.176 1.00 0.00 C ATOM 479 CG GLU A 29 3.494 -5.333 -18.241 1.00 0.00 C ATOM 480 CD GLU A 29 3.468 -5.947 -19.626 1.00 0.00 C ATOM 481 OE1 GLU A 29 2.621 -6.831 -19.882 1.00 0.00 O ATOM 482 OE2 GLU A 29 4.310 -5.558 -20.461 1.00 0.00 O ATOM 0 H GLU A 29 5.811 -4.735 -17.030 1.00 0.00 H new ATOM 0 HA GLU A 29 3.531 -5.024 -15.498 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.791 -6.890 -17.557 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.139 -7.030 -16.988 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.499 -4.963 -17.992 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.163 -4.473 -18.241 1.00 0.00 H new ATOM 489 N ASP A 30 5.752 -7.394 -14.930 1.00 0.00 N ATOM 490 CA ASP A 30 6.133 -8.464 -14.013 1.00 0.00 C ATOM 491 C ASP A 30 6.269 -7.937 -12.595 1.00 0.00 C ATOM 492 O ASP A 30 5.837 -8.580 -11.634 1.00 0.00 O ATOM 493 CB ASP A 30 7.454 -9.107 -14.444 1.00 0.00 C ATOM 494 CG ASP A 30 7.332 -9.891 -15.729 1.00 0.00 C ATOM 495 OD1 ASP A 30 7.191 -9.266 -16.801 1.00 0.00 O ATOM 496 OD2 ASP A 30 7.385 -11.139 -15.676 1.00 0.00 O ATOM 0 H ASP A 30 6.438 -7.204 -15.661 1.00 0.00 H new ATOM 0 HA ASP A 30 5.345 -9.216 -14.040 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.208 -8.329 -14.568 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.806 -9.768 -13.652 1.00 0.00 H new ATOM 501 N TYR A 31 6.859 -6.759 -12.465 1.00 0.00 N ATOM 502 CA TYR A 31 7.071 -6.166 -11.159 1.00 0.00 C ATOM 503 C TYR A 31 5.754 -5.659 -10.591 1.00 0.00 C ATOM 504 O TYR A 31 5.461 -5.872 -9.419 1.00 0.00 O ATOM 505 CB TYR A 31 8.090 -5.029 -11.230 1.00 0.00 C ATOM 506 CG TYR A 31 8.592 -4.592 -9.871 1.00 0.00 C ATOM 507 CD1 TYR A 31 9.391 -5.435 -9.110 1.00 0.00 C ATOM 508 CD2 TYR A 31 8.266 -3.349 -9.345 1.00 0.00 C ATOM 509 CE1 TYR A 31 9.852 -5.054 -7.867 1.00 0.00 C ATOM 510 CE2 TYR A 31 8.726 -2.957 -8.099 1.00 0.00 C ATOM 511 CZ TYR A 31 9.520 -3.814 -7.366 1.00 0.00 C ATOM 512 OH TYR A 31 9.983 -3.434 -6.126 1.00 0.00 O ATOM 0 H TYR A 31 7.198 -6.198 -13.247 1.00 0.00 H new ATOM 0 HA TYR A 31 7.469 -6.936 -10.498 1.00 0.00 H new ATOM 0 HB2 TYR A 31 8.937 -5.347 -11.838 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.638 -4.175 -11.735 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.656 -6.407 -9.499 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.643 -2.677 -9.917 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.470 -5.725 -7.289 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.465 -1.986 -7.704 1.00 0.00 H new ATOM 0 HH TYR A 31 9.233 -3.385 -5.498 1.00 0.00 H new ATOM 522 N GLN A 32 4.953 -5.009 -11.430 1.00 0.00 N ATOM 523 CA GLN A 32 3.668 -4.477 -10.996 1.00 0.00 C ATOM 524 C GLN A 32 2.742 -5.587 -10.528 1.00 0.00 C ATOM 525 O GLN A 32 2.015 -5.416 -9.551 1.00 0.00 O ATOM 526 CB GLN A 32 2.996 -3.670 -12.106 1.00 0.00 C ATOM 527 CG GLN A 32 3.656 -2.327 -12.360 1.00 0.00 C ATOM 528 CD GLN A 32 2.798 -1.400 -13.195 1.00 0.00 C ATOM 529 OE1 GLN A 32 2.887 -1.381 -14.421 1.00 0.00 O ATOM 530 NE2 GLN A 32 1.955 -0.626 -12.531 1.00 0.00 N ATOM 0 H GLN A 32 5.171 -4.839 -12.412 1.00 0.00 H new ATOM 0 HA GLN A 32 3.864 -3.811 -10.156 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.009 -4.253 -13.027 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.950 -3.509 -11.845 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.876 -1.849 -11.405 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.609 -2.485 -12.865 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.913 -0.673 -11.513 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.347 0.018 -13.037 1.00 0.00 H new ATOM 539 N ARG A 33 2.768 -6.725 -11.214 1.00 0.00 N ATOM 540 CA ARG A 33 1.971 -7.867 -10.793 1.00 0.00 C ATOM 541 C ARG A 33 2.442 -8.344 -9.425 1.00 0.00 C ATOM 542 O ARG A 33 1.636 -8.618 -8.539 1.00 0.00 O ATOM 543 CB ARG A 33 2.059 -9.016 -11.800 1.00 0.00 C ATOM 544 CG ARG A 33 1.032 -10.105 -11.534 1.00 0.00 C ATOM 545 CD ARG A 33 1.231 -11.321 -12.423 1.00 0.00 C ATOM 546 NE ARG A 33 0.136 -12.278 -12.263 1.00 0.00 N ATOM 547 CZ ARG A 33 0.163 -13.324 -11.438 1.00 0.00 C ATOM 548 NH1 ARG A 33 1.264 -13.615 -10.756 1.00 0.00 N ATOM 549 NH2 ARG A 33 -0.911 -14.093 -11.321 1.00 0.00 N ATOM 0 H ARG A 33 3.326 -6.879 -12.054 1.00 0.00 H new ATOM 0 HA ARG A 33 0.930 -7.549 -10.737 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.915 -8.624 -12.807 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.059 -9.448 -11.766 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.092 -10.409 -10.489 1.00 0.00 H new ATOM 0 HG3 ARG A 33 0.031 -9.703 -11.692 1.00 0.00 H new ATOM 0 HD2 ARG A 33 1.294 -11.007 -13.465 1.00 0.00 H new ATOM 0 HD3 ARG A 33 2.177 -11.803 -12.178 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.706 -12.135 -12.821 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.097 -13.036 -10.862 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.277 -14.417 -10.126 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.750 -13.882 -11.861 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -0.898 -14.895 -10.691 1.00 0.00 H new ATOM 563 N SER A 34 3.759 -8.415 -9.262 1.00 0.00 N ATOM 564 CA SER A 34 4.356 -8.818 -7.995 1.00 0.00 C ATOM 565 C SER A 34 3.970 -7.840 -6.888 1.00 0.00 C ATOM 566 O SER A 34 3.720 -8.239 -5.753 1.00 0.00 O ATOM 567 CB SER A 34 5.880 -8.894 -8.131 1.00 0.00 C ATOM 568 OG SER A 34 6.258 -9.762 -9.190 1.00 0.00 O ATOM 0 H SER A 34 4.435 -8.198 -9.995 1.00 0.00 H new ATOM 0 HA SER A 34 3.978 -9.805 -7.730 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.282 -7.897 -8.313 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.314 -9.247 -7.195 1.00 0.00 H new ATOM 0 HG SER A 34 6.067 -9.332 -10.050 1.00 0.00 H new ATOM 574 N VAL A 35 3.917 -6.557 -7.235 1.00 0.00 N ATOM 575 CA VAL A 35 3.482 -5.524 -6.303 1.00 0.00 C ATOM 576 C VAL A 35 2.008 -5.703 -5.955 1.00 0.00 C ATOM 577 O VAL A 35 1.651 -5.825 -4.786 1.00 0.00 O ATOM 578 CB VAL A 35 3.706 -4.105 -6.884 1.00 0.00 C ATOM 579 CG1 VAL A 35 3.127 -3.037 -5.967 1.00 0.00 C ATOM 580 CG2 VAL A 35 5.188 -3.849 -7.117 1.00 0.00 C ATOM 0 H VAL A 35 4.171 -6.208 -8.159 1.00 0.00 H new ATOM 0 HA VAL A 35 4.084 -5.627 -5.400 1.00 0.00 H new ATOM 0 HB VAL A 35 3.185 -4.052 -7.840 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.300 -2.052 -6.401 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.056 -3.199 -5.850 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.611 -3.093 -4.992 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.324 -2.848 -7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.725 -3.932 -6.172 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.578 -4.584 -7.821 1.00 0.00 H new ATOM 590 N TRP A 36 1.172 -5.749 -6.984 1.00 0.00 N ATOM 591 CA TRP A 36 -0.275 -5.833 -6.819 1.00 0.00 C ATOM 592 C TRP A 36 -0.675 -7.065 -6.007 1.00 0.00 C ATOM 593 O TRP A 36 -1.392 -6.947 -5.011 1.00 0.00 O ATOM 594 CB TRP A 36 -0.944 -5.847 -8.197 1.00 0.00 C ATOM 595 CG TRP A 36 -2.441 -5.776 -8.160 1.00 0.00 C ATOM 596 CD1 TRP A 36 -3.312 -6.763 -8.513 1.00 0.00 C ATOM 597 CD2 TRP A 36 -3.245 -4.654 -7.764 1.00 0.00 C ATOM 598 NE1 TRP A 36 -4.606 -6.331 -8.358 1.00 0.00 N ATOM 599 CE2 TRP A 36 -4.592 -5.041 -7.897 1.00 0.00 C ATOM 600 CE3 TRP A 36 -2.958 -3.365 -7.306 1.00 0.00 C ATOM 601 CZ2 TRP A 36 -5.647 -4.184 -7.593 1.00 0.00 C ATOM 602 CZ3 TRP A 36 -4.007 -2.514 -7.004 1.00 0.00 C ATOM 603 CH2 TRP A 36 -5.338 -2.928 -7.148 1.00 0.00 C ATOM 0 H TRP A 36 1.477 -5.729 -7.957 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.614 -4.959 -6.263 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.567 -5.006 -8.779 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.648 -6.756 -8.722 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.026 -7.743 -8.864 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.442 -6.881 -8.554 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.935 -3.039 -7.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.674 -4.500 -7.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.796 -1.515 -6.652 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.135 -2.242 -6.903 1.00 0.00 H new ATOM 614 N THR A 37 -0.189 -8.235 -6.412 1.00 0.00 N ATOM 615 CA THR A 37 -0.496 -9.475 -5.709 1.00 0.00 C ATOM 616 C THR A 37 0.003 -9.426 -4.259 1.00 0.00 C ATOM 617 O THR A 37 -0.680 -9.885 -3.338 1.00 0.00 O ATOM 618 CB THR A 37 0.118 -10.689 -6.438 1.00 0.00 C ATOM 619 OG1 THR A 37 -0.367 -10.741 -7.787 1.00 0.00 O ATOM 620 CG2 THR A 37 -0.222 -11.993 -5.727 1.00 0.00 C ATOM 0 H THR A 37 0.419 -8.349 -7.223 1.00 0.00 H new ATOM 0 HA THR A 37 -1.580 -9.586 -5.698 1.00 0.00 H new ATOM 0 HB THR A 37 1.201 -10.570 -6.436 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.141 -10.113 -8.342 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.225 -12.828 -6.266 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.169 -11.966 -4.710 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.304 -12.119 -5.696 1.00 0.00 H new ATOM 628 N ARG A 38 1.186 -8.849 -4.054 1.00 0.00 N ATOM 629 CA ARG A 38 1.746 -8.714 -2.713 1.00 0.00 C ATOM 630 C ARG A 38 0.901 -7.760 -1.876 1.00 0.00 C ATOM 631 O ARG A 38 0.657 -8.009 -0.692 1.00 0.00 O ATOM 632 CB ARG A 38 3.203 -8.238 -2.776 1.00 0.00 C ATOM 633 CG ARG A 38 3.849 -8.058 -1.412 1.00 0.00 C ATOM 634 CD ARG A 38 5.366 -8.075 -1.501 1.00 0.00 C ATOM 635 NE ARG A 38 5.901 -7.015 -2.359 1.00 0.00 N ATOM 636 CZ ARG A 38 7.128 -7.045 -2.888 1.00 0.00 C ATOM 637 NH1 ARG A 38 7.916 -8.093 -2.683 1.00 0.00 N ATOM 638 NH2 ARG A 38 7.577 -6.038 -3.629 1.00 0.00 N ATOM 0 H ARG A 38 1.772 -8.469 -4.797 1.00 0.00 H new ATOM 0 HA ARG A 38 1.732 -9.694 -2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.786 -8.957 -3.352 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.243 -7.291 -3.315 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.521 -7.115 -0.976 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.515 -8.852 -0.744 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.784 -7.970 -0.500 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.691 -9.043 -1.883 1.00 0.00 H new ATOM 0 HE ARG A 38 5.306 -6.212 -2.563 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.586 -8.877 -2.121 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.852 -8.114 -3.088 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.983 -5.227 -3.801 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.516 -6.076 -4.026 1.00 0.00 H new ATOM 652 N LEU A 39 0.436 -6.684 -2.500 1.00 0.00 N ATOM 653 CA LEU A 39 -0.441 -5.735 -1.831 1.00 0.00 C ATOM 654 C LEU A 39 -1.743 -6.413 -1.431 1.00 0.00 C ATOM 655 O LEU A 39 -2.190 -6.279 -0.295 1.00 0.00 O ATOM 656 CB LEU A 39 -0.732 -4.524 -2.724 1.00 0.00 C ATOM 657 CG LEU A 39 0.479 -3.659 -3.076 1.00 0.00 C ATOM 658 CD1 LEU A 39 0.050 -2.458 -3.903 1.00 0.00 C ATOM 659 CD2 LEU A 39 1.203 -3.212 -1.816 1.00 0.00 C ATOM 0 H LEU A 39 0.653 -6.448 -3.468 1.00 0.00 H new ATOM 0 HA LEU A 39 0.068 -5.381 -0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.185 -4.878 -3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.472 -3.897 -2.226 1.00 0.00 H new ATOM 0 HG LEU A 39 1.169 -4.258 -3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.923 -1.852 -4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.421 -2.800 -4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.660 -1.859 -3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.061 -2.598 -2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.524 -2.630 -1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.544 -4.087 -1.262 1.00 0.00 H new ATOM 671 N GLU A 40 -2.334 -7.164 -2.359 1.00 0.00 N ATOM 672 CA GLU A 40 -3.576 -7.890 -2.089 1.00 0.00 C ATOM 673 C GLU A 40 -3.403 -8.869 -0.930 1.00 0.00 C ATOM 674 O GLU A 40 -4.351 -9.150 -0.198 1.00 0.00 O ATOM 675 CB GLU A 40 -4.033 -8.674 -3.321 1.00 0.00 C ATOM 676 CG GLU A 40 -4.381 -7.821 -4.527 1.00 0.00 C ATOM 677 CD GLU A 40 -5.024 -8.637 -5.629 1.00 0.00 C ATOM 678 OE1 GLU A 40 -4.331 -9.475 -6.243 1.00 0.00 O ATOM 679 OE2 GLU A 40 -6.243 -8.479 -5.861 1.00 0.00 O ATOM 0 H GLU A 40 -1.973 -7.286 -3.305 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.327 -7.145 -1.828 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.245 -9.372 -3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.905 -9.270 -3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.058 -7.023 -4.224 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.477 -7.345 -4.908 1.00 0.00 H new ATOM 686 N THR A 41 -2.191 -9.378 -0.773 1.00 0.00 N ATOM 687 CA THR A 41 -1.917 -10.408 0.214 1.00 0.00 C ATOM 688 C THR A 41 -1.695 -9.827 1.612 1.00 0.00 C ATOM 689 O THR A 41 -2.361 -10.229 2.564 1.00 0.00 O ATOM 690 CB THR A 41 -0.688 -11.244 -0.204 1.00 0.00 C ATOM 691 OG1 THR A 41 -0.920 -11.828 -1.493 1.00 0.00 O ATOM 692 CG2 THR A 41 -0.393 -12.343 0.805 1.00 0.00 C ATOM 0 H THR A 41 -1.379 -9.092 -1.320 1.00 0.00 H new ATOM 0 HA THR A 41 -2.798 -11.049 0.257 1.00 0.00 H new ATOM 0 HB THR A 41 0.175 -10.579 -0.244 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.903 -11.127 -2.178 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.478 -12.912 0.479 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.192 -11.898 1.779 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.253 -13.008 0.880 1.00 0.00 H new ATOM 700 N TYR A 42 -0.774 -8.878 1.738 1.00 0.00 N ATOM 701 CA TYR A 42 -0.355 -8.411 3.060 1.00 0.00 C ATOM 702 C TYR A 42 -0.981 -7.072 3.451 1.00 0.00 C ATOM 703 O TYR A 42 -1.143 -6.786 4.635 1.00 0.00 O ATOM 704 CB TYR A 42 1.170 -8.290 3.119 1.00 0.00 C ATOM 705 CG TYR A 42 1.907 -9.589 2.875 1.00 0.00 C ATOM 706 CD1 TYR A 42 1.835 -10.635 3.787 1.00 0.00 C ATOM 707 CD2 TYR A 42 2.677 -9.767 1.732 1.00 0.00 C ATOM 708 CE1 TYR A 42 2.509 -11.822 3.567 1.00 0.00 C ATOM 709 CE2 TYR A 42 3.354 -10.951 1.506 1.00 0.00 C ATOM 710 CZ TYR A 42 3.268 -11.974 2.426 1.00 0.00 C ATOM 711 OH TYR A 42 3.945 -13.153 2.206 1.00 0.00 O ATOM 0 H TYR A 42 -0.307 -8.421 0.955 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.707 -9.156 3.774 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.494 -7.558 2.379 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.455 -7.902 4.097 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.243 -10.519 4.683 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.748 -8.968 1.009 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.441 -12.626 4.285 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.948 -11.074 0.612 1.00 0.00 H new ATOM 0 HH TYR A 42 4.431 -13.098 1.357 1.00 0.00 H new ATOM 721 N LEU A 43 -1.336 -6.259 2.468 1.00 0.00 N ATOM 722 CA LEU A 43 -1.736 -4.882 2.740 1.00 0.00 C ATOM 723 C LEU A 43 -3.250 -4.692 2.631 1.00 0.00 C ATOM 724 O LEU A 43 -3.905 -4.251 3.577 1.00 0.00 O ATOM 725 CB LEU A 43 -1.021 -3.947 1.763 1.00 0.00 C ATOM 726 CG LEU A 43 -1.255 -2.458 1.993 1.00 0.00 C ATOM 727 CD1 LEU A 43 -0.639 -2.014 3.311 1.00 0.00 C ATOM 728 CD2 LEU A 43 -0.693 -1.646 0.837 1.00 0.00 C ATOM 0 H LEU A 43 -1.356 -6.523 1.483 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.452 -4.644 3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.050 -4.142 1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.339 -4.195 0.750 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.330 -2.284 2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.818 -0.948 3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.092 -2.572 4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.434 -2.203 3.293 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.869 -0.586 1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.379 -1.827 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.185 -1.943 -0.089 1.00 0.00 H new ATOM 740 N PHE A 44 -3.796 -5.048 1.476 1.00 0.00 N ATOM 741 CA PHE A 44 -5.214 -4.835 1.166 1.00 0.00 C ATOM 742 C PHE A 44 -6.194 -5.448 2.187 1.00 0.00 C ATOM 743 O PHE A 44 -7.162 -4.792 2.553 1.00 0.00 O ATOM 744 CB PHE A 44 -5.543 -5.375 -0.230 1.00 0.00 C ATOM 745 CG PHE A 44 -5.038 -4.523 -1.365 1.00 0.00 C ATOM 746 CD1 PHE A 44 -4.119 -3.508 -1.149 1.00 0.00 C ATOM 747 CD2 PHE A 44 -5.490 -4.748 -2.655 1.00 0.00 C ATOM 748 CE1 PHE A 44 -3.660 -2.737 -2.200 1.00 0.00 C ATOM 749 CE2 PHE A 44 -5.034 -3.979 -3.707 1.00 0.00 C ATOM 750 CZ PHE A 44 -4.118 -2.973 -3.479 1.00 0.00 C ATOM 0 H PHE A 44 -3.272 -5.494 0.723 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.355 -3.755 1.211 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.121 -6.375 -0.328 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.625 -5.475 -0.321 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.758 -3.318 -0.149 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.207 -5.534 -2.840 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.943 -1.950 -2.020 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.394 -4.165 -4.708 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.760 -2.371 -4.301 1.00 0.00 H new ATOM 760 N PRO A 45 -5.985 -6.692 2.671 1.00 0.00 N ATOM 761 CA PRO A 45 -6.998 -7.395 3.478 1.00 0.00 C ATOM 762 C PRO A 45 -7.289 -6.734 4.826 1.00 0.00 C ATOM 763 O PRO A 45 -8.275 -7.069 5.480 1.00 0.00 O ATOM 764 CB PRO A 45 -6.384 -8.779 3.698 1.00 0.00 C ATOM 765 CG PRO A 45 -4.922 -8.570 3.551 1.00 0.00 C ATOM 766 CD PRO A 45 -4.767 -7.505 2.508 1.00 0.00 C ATOM 0 HA PRO A 45 -7.960 -7.400 2.966 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.631 -9.169 4.685 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.757 -9.498 2.968 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.474 -8.261 4.495 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.424 -9.491 3.248 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.865 -6.914 2.667 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.698 -7.930 1.507 1.00 0.00 H new ATOM 774 N ASP A 46 -6.441 -5.802 5.238 1.00 0.00 N ATOM 775 CA ASP A 46 -6.590 -5.176 6.547 1.00 0.00 C ATOM 776 C ASP A 46 -7.048 -3.720 6.441 1.00 0.00 C ATOM 777 O ASP A 46 -7.537 -3.149 7.416 1.00 0.00 O ATOM 778 CB ASP A 46 -5.278 -5.269 7.333 1.00 0.00 C ATOM 779 CG ASP A 46 -4.945 -6.696 7.741 1.00 0.00 C ATOM 780 OD1 ASP A 46 -5.532 -7.191 8.732 1.00 0.00 O ATOM 781 OD2 ASP A 46 -4.099 -7.331 7.076 1.00 0.00 O ATOM 0 H ASP A 46 -5.649 -5.464 4.691 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.368 -5.721 7.082 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.465 -4.869 6.727 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.347 -4.646 8.225 1.00 0.00 H new ATOM 786 N ILE A 47 -6.899 -3.118 5.266 1.00 0.00 N ATOM 787 CA ILE A 47 -7.287 -1.718 5.080 1.00 0.00 C ATOM 788 C ILE A 47 -8.294 -1.546 3.946 1.00 0.00 C ATOM 789 O ILE A 47 -9.005 -0.544 3.885 1.00 0.00 O ATOM 790 CB ILE A 47 -6.069 -0.817 4.805 1.00 0.00 C ATOM 791 CG1 ILE A 47 -5.220 -1.399 3.676 1.00 0.00 C ATOM 792 CG2 ILE A 47 -5.247 -0.630 6.071 1.00 0.00 C ATOM 793 CD1 ILE A 47 -3.972 -0.603 3.387 1.00 0.00 C ATOM 0 H ILE A 47 -6.517 -3.568 4.434 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.754 -1.414 6.017 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.424 0.164 4.489 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.938 -2.420 3.934 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.824 -1.454 2.770 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.390 0.009 5.858 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.864 -0.165 6.840 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.897 -1.600 6.424 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.419 -1.075 2.575 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.246 0.411 3.098 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.347 -0.569 4.279 1.00 0.00 H new ATOM 805 N GLY A 48 -8.357 -2.521 3.053 1.00 0.00 N ATOM 806 CA GLY A 48 -9.283 -2.445 1.940 1.00 0.00 C ATOM 807 C GLY A 48 -10.712 -2.646 2.385 1.00 0.00 C ATOM 808 O GLY A 48 -11.644 -2.117 1.780 1.00 0.00 O ATOM 0 H GLY A 48 -7.784 -3.364 3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.187 -1.475 1.453 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.023 -3.201 1.199 1.00 0.00 H new ATOM 812 N ASN A 49 -10.877 -3.408 3.454 1.00 0.00 N ATOM 813 CA ASN A 49 -12.190 -3.652 4.037 1.00 0.00 C ATOM 814 C ASN A 49 -12.489 -2.594 5.092 1.00 0.00 C ATOM 815 O ASN A 49 -13.525 -2.625 5.757 1.00 0.00 O ATOM 816 CB ASN A 49 -12.248 -5.055 4.655 1.00 0.00 C ATOM 817 CG ASN A 49 -11.269 -5.239 5.806 1.00 0.00 C ATOM 818 OD1 ASN A 49 -10.221 -4.592 5.859 1.00 0.00 O ATOM 819 ND2 ASN A 49 -11.596 -6.133 6.726 1.00 0.00 N ATOM 0 H ASN A 49 -10.111 -3.873 3.941 1.00 0.00 H new ATOM 0 HA ASN A 49 -12.944 -3.592 3.252 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.260 -5.247 5.012 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.036 -5.795 3.883 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.971 -6.306 7.514 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -12.473 -6.649 6.647 1.00 0.00 H new ATOM 826 N LYS A 50 -11.568 -1.650 5.224 1.00 0.00 N ATOM 827 CA LYS A 50 -11.708 -0.568 6.179 1.00 0.00 C ATOM 828 C LYS A 50 -12.318 0.637 5.469 1.00 0.00 C ATOM 829 O LYS A 50 -12.471 0.629 4.248 1.00 0.00 O ATOM 830 CB LYS A 50 -10.338 -0.218 6.775 1.00 0.00 C ATOM 831 CG LYS A 50 -10.384 0.307 8.203 1.00 0.00 C ATOM 832 CD LYS A 50 -11.066 -0.682 9.135 1.00 0.00 C ATOM 833 CE LYS A 50 -10.721 -0.422 10.593 1.00 0.00 C ATOM 834 NZ LYS A 50 -9.325 -0.830 10.916 1.00 0.00 N ATOM 0 H LYS A 50 -10.709 -1.615 4.675 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.363 -0.870 6.996 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.707 -1.107 6.749 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.861 0.530 6.142 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.370 0.501 8.554 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.917 1.258 8.226 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.146 -0.620 9.001 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.769 -1.696 8.868 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.849 0.638 10.813 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.415 -0.967 11.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.221 -0.928 11.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.115 -1.740 10.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.663 -0.107 10.569 1.00 0.00 H new ATOM 848 N ASP A 51 -12.661 1.668 6.223 1.00 0.00 N ATOM 849 CA ASP A 51 -13.355 2.818 5.655 1.00 0.00 C ATOM 850 C ASP A 51 -12.375 3.890 5.186 1.00 0.00 C ATOM 851 O ASP A 51 -12.790 4.967 4.762 1.00 0.00 O ATOM 852 CB ASP A 51 -14.321 3.409 6.678 1.00 0.00 C ATOM 853 CG ASP A 51 -15.284 2.378 7.224 1.00 0.00 C ATOM 854 OD1 ASP A 51 -16.202 1.956 6.487 1.00 0.00 O ATOM 855 OD2 ASP A 51 -15.125 1.984 8.395 1.00 0.00 O ATOM 0 H ASP A 51 -12.473 1.735 7.223 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.915 2.471 4.787 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -13.753 3.844 7.501 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.884 4.220 6.216 1.00 0.00 H new ATOM 860 N ILE A 52 -11.080 3.583 5.292 1.00 0.00 N ATOM 861 CA ILE A 52 -9.992 4.455 4.817 1.00 0.00 C ATOM 862 C ILE A 52 -9.835 5.742 5.650 1.00 0.00 C ATOM 863 O ILE A 52 -8.719 6.109 6.008 1.00 0.00 O ATOM 864 CB ILE A 52 -10.141 4.773 3.297 1.00 0.00 C ATOM 865 CG1 ILE A 52 -8.928 4.233 2.524 1.00 0.00 C ATOM 866 CG2 ILE A 52 -10.323 6.268 3.023 1.00 0.00 C ATOM 867 CD1 ILE A 52 -7.662 5.046 2.714 1.00 0.00 C ATOM 0 H ILE A 52 -10.749 2.715 5.713 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.069 3.892 4.957 1.00 0.00 H new ATOM 0 HB ILE A 52 -11.047 4.275 2.951 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.738 3.206 2.837 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.172 4.202 1.462 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.422 6.432 1.950 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -11.221 6.624 3.528 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.456 6.814 3.395 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.853 4.600 2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.831 6.067 2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.391 5.056 3.770 1.00 0.00 H new ATOM 879 N ALA A 53 -10.938 6.405 5.978 1.00 0.00 N ATOM 880 CA ALA A 53 -10.889 7.661 6.723 1.00 0.00 C ATOM 881 C ALA A 53 -10.282 7.462 8.108 1.00 0.00 C ATOM 882 O ALA A 53 -9.620 8.351 8.646 1.00 0.00 O ATOM 883 CB ALA A 53 -12.281 8.264 6.835 1.00 0.00 C ATOM 0 H ALA A 53 -11.880 6.094 5.740 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.249 8.351 6.174 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.229 9.199 7.392 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.675 8.458 5.837 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.938 7.568 7.356 1.00 0.00 H new ATOM 889 N GLU A 54 -10.497 6.283 8.674 1.00 0.00 N ATOM 890 CA GLU A 54 -9.992 5.975 10.003 1.00 0.00 C ATOM 891 C GLU A 54 -8.648 5.255 9.932 1.00 0.00 C ATOM 892 O GLU A 54 -8.178 4.706 10.927 1.00 0.00 O ATOM 893 CB GLU A 54 -11.004 5.131 10.777 1.00 0.00 C ATOM 894 CG GLU A 54 -12.300 5.866 11.073 1.00 0.00 C ATOM 895 CD GLU A 54 -13.229 5.071 11.963 1.00 0.00 C ATOM 896 OE1 GLU A 54 -12.942 4.959 13.172 1.00 0.00 O ATOM 897 OE2 GLU A 54 -14.249 4.558 11.462 1.00 0.00 O ATOM 0 H GLU A 54 -11.018 5.525 8.233 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.842 6.918 10.529 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.228 4.230 10.205 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.555 4.809 11.716 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.072 6.819 11.551 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.807 6.093 10.135 1.00 0.00 H new ATOM 904 N LEU A 55 -8.028 5.260 8.757 1.00 0.00 N ATOM 905 CA LEU A 55 -6.705 4.674 8.607 1.00 0.00 C ATOM 906 C LEU A 55 -5.642 5.672 9.040 1.00 0.00 C ATOM 907 O LEU A 55 -5.106 6.428 8.228 1.00 0.00 O ATOM 908 CB LEU A 55 -6.449 4.223 7.163 1.00 0.00 C ATOM 909 CG LEU A 55 -7.315 3.061 6.671 1.00 0.00 C ATOM 910 CD1 LEU A 55 -6.921 2.663 5.259 1.00 0.00 C ATOM 911 CD2 LEU A 55 -7.189 1.872 7.601 1.00 0.00 C ATOM 0 H LEU A 55 -8.417 5.660 7.903 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.655 3.792 9.245 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.606 5.075 6.502 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.401 3.937 7.071 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.354 3.390 6.664 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.547 1.835 4.926 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.057 3.513 4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.876 2.355 5.246 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.812 1.056 7.235 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.149 1.547 7.637 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.515 2.156 8.601 1.00 0.00 H new ATOM 923 N ASP A 56 -5.382 5.708 10.335 1.00 0.00 N ATOM 924 CA ASP A 56 -4.364 6.587 10.877 1.00 0.00 C ATOM 925 C ASP A 56 -3.030 5.856 10.947 1.00 0.00 C ATOM 926 O ASP A 56 -2.914 4.719 10.482 1.00 0.00 O ATOM 927 CB ASP A 56 -4.760 7.091 12.267 1.00 0.00 C ATOM 928 CG ASP A 56 -4.676 6.011 13.328 1.00 0.00 C ATOM 929 OD1 ASP A 56 -5.652 5.260 13.501 1.00 0.00 O ATOM 930 OD2 ASP A 56 -3.632 5.917 14.008 1.00 0.00 O ATOM 0 H ASP A 56 -5.863 5.138 11.031 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.268 7.449 10.216 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.110 7.920 12.547 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.777 7.481 12.231 1.00 0.00 H new ATOM 935 N THR A 57 -2.038 6.509 11.540 1.00 0.00 N ATOM 936 CA THR A 57 -0.697 5.957 11.652 1.00 0.00 C ATOM 937 C THR A 57 -0.715 4.545 12.240 1.00 0.00 C ATOM 938 O THR A 57 -0.074 3.636 11.716 1.00 0.00 O ATOM 939 CB THR A 57 0.176 6.861 12.536 1.00 0.00 C ATOM 940 OG1 THR A 57 -0.073 8.237 12.212 1.00 0.00 O ATOM 941 CG2 THR A 57 1.649 6.547 12.343 1.00 0.00 C ATOM 0 H THR A 57 -2.142 7.435 11.956 1.00 0.00 H new ATOM 0 HA THR A 57 -0.280 5.906 10.646 1.00 0.00 H new ATOM 0 HB THR A 57 -0.081 6.677 13.579 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.769 8.592 12.804 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.247 7.200 12.979 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.838 5.507 12.611 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.922 6.708 11.300 1.00 0.00 H new ATOM 949 N GLY A 58 -1.490 4.361 13.304 1.00 0.00 N ATOM 950 CA GLY A 58 -1.515 3.085 13.990 1.00 0.00 C ATOM 951 C GLY A 58 -2.212 2.000 13.192 1.00 0.00 C ATOM 952 O GLY A 58 -1.733 0.866 13.126 1.00 0.00 O ATOM 0 H GLY A 58 -2.101 5.074 13.703 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.493 2.773 14.203 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.018 3.204 14.949 1.00 0.00 H new ATOM 956 N ASP A 59 -3.326 2.346 12.555 1.00 0.00 N ATOM 957 CA ASP A 59 -4.131 1.355 11.848 1.00 0.00 C ATOM 958 C ASP A 59 -3.434 0.914 10.565 1.00 0.00 C ATOM 959 O ASP A 59 -3.649 -0.194 10.074 1.00 0.00 O ATOM 960 CB ASP A 59 -5.524 1.902 11.537 1.00 0.00 C ATOM 961 CG ASP A 59 -6.552 0.795 11.415 1.00 0.00 C ATOM 962 OD1 ASP A 59 -6.661 -0.023 12.356 1.00 0.00 O ATOM 963 OD2 ASP A 59 -7.274 0.742 10.401 1.00 0.00 O ATOM 0 H ASP A 59 -3.690 3.298 12.513 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.244 0.487 12.498 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.827 2.593 12.324 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.491 2.471 10.608 1.00 0.00 H new ATOM 968 N LEU A 60 -2.589 1.783 10.033 1.00 0.00 N ATOM 969 CA LEU A 60 -1.768 1.443 8.878 1.00 0.00 C ATOM 970 C LEU A 60 -0.536 0.658 9.320 1.00 0.00 C ATOM 971 O LEU A 60 -0.026 -0.206 8.594 1.00 0.00 O ATOM 972 CB LEU A 60 -1.363 2.715 8.131 1.00 0.00 C ATOM 973 CG LEU A 60 -2.512 3.429 7.416 1.00 0.00 C ATOM 974 CD1 LEU A 60 -2.089 4.820 6.974 1.00 0.00 C ATOM 975 CD2 LEU A 60 -2.980 2.611 6.224 1.00 0.00 C ATOM 0 H LEU A 60 -2.452 2.732 10.382 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.348 0.815 8.201 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.908 3.407 8.840 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.598 2.461 7.397 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.342 3.532 8.115 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.921 5.310 6.468 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.799 5.406 7.846 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.243 4.743 6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.798 3.131 5.725 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.153 2.480 5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.325 1.635 6.565 1.00 0.00 H new ATOM 987 N LEU A 61 -0.064 0.945 10.526 1.00 0.00 N ATOM 988 CA LEU A 61 1.032 0.183 11.095 1.00 0.00 C ATOM 989 C LEU A 61 0.617 -1.257 11.336 1.00 0.00 C ATOM 990 O LEU A 61 1.465 -2.130 11.393 1.00 0.00 O ATOM 991 CB LEU A 61 1.534 0.791 12.405 1.00 0.00 C ATOM 992 CG LEU A 61 2.435 2.018 12.270 1.00 0.00 C ATOM 993 CD1 LEU A 61 2.956 2.422 13.637 1.00 0.00 C ATOM 994 CD2 LEU A 61 3.593 1.744 11.314 1.00 0.00 C ATOM 0 H LEU A 61 -0.420 1.692 11.121 1.00 0.00 H new ATOM 0 HA LEU A 61 1.846 0.213 10.371 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.670 1.064 13.011 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.079 0.023 12.954 1.00 0.00 H new ATOM 0 HG LEU A 61 1.849 2.838 11.855 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.598 3.297 13.538 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.117 2.660 14.290 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.528 1.599 14.066 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.219 2.633 11.236 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.189 0.913 11.693 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.200 1.490 10.330 1.00 0.00 H new ATOM 1006 N VAL A 62 -0.685 -1.498 11.489 1.00 0.00 N ATOM 1007 CA VAL A 62 -1.192 -2.860 11.674 1.00 0.00 C ATOM 1008 C VAL A 62 -0.695 -3.798 10.559 1.00 0.00 C ATOM 1009 O VAL A 62 0.017 -4.757 10.849 1.00 0.00 O ATOM 1010 CB VAL A 62 -2.737 -2.905 11.768 1.00 0.00 C ATOM 1011 CG1 VAL A 62 -3.232 -4.337 11.906 1.00 0.00 C ATOM 1012 CG2 VAL A 62 -3.228 -2.063 12.935 1.00 0.00 C ATOM 0 H VAL A 62 -1.404 -0.775 11.489 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.795 -3.211 12.627 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.142 -2.490 10.845 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.320 -4.341 11.970 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.917 -4.916 11.038 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.814 -4.781 12.809 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.316 -2.108 12.984 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.807 -2.448 13.864 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.913 -1.029 12.795 1.00 0.00 H new ATOM 1022 N PRO A 63 -1.039 -3.552 9.273 1.00 0.00 N ATOM 1023 CA PRO A 63 -0.507 -4.357 8.168 1.00 0.00 C ATOM 1024 C PRO A 63 1.020 -4.276 8.061 1.00 0.00 C ATOM 1025 O PRO A 63 1.674 -5.258 7.705 1.00 0.00 O ATOM 1026 CB PRO A 63 -1.173 -3.773 6.916 1.00 0.00 C ATOM 1027 CG PRO A 63 -1.697 -2.440 7.325 1.00 0.00 C ATOM 1028 CD PRO A 63 -1.991 -2.532 8.795 1.00 0.00 C ATOM 0 HA PRO A 63 -0.722 -5.416 8.311 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.457 -3.679 6.099 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.977 -4.419 6.563 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.966 -1.657 7.124 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.597 -2.188 6.764 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.839 -1.576 9.295 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.023 -2.828 8.980 1.00 0.00 H new ATOM 1036 N ILE A 64 1.596 -3.115 8.383 1.00 0.00 N ATOM 1037 CA ILE A 64 3.052 -2.964 8.335 1.00 0.00 C ATOM 1038 C ILE A 64 3.745 -3.872 9.361 1.00 0.00 C ATOM 1039 O ILE A 64 4.651 -4.631 9.015 1.00 0.00 O ATOM 1040 CB ILE A 64 3.488 -1.500 8.566 1.00 0.00 C ATOM 1041 CG1 ILE A 64 2.849 -0.593 7.512 1.00 0.00 C ATOM 1042 CG2 ILE A 64 5.010 -1.390 8.515 1.00 0.00 C ATOM 1043 CD1 ILE A 64 3.109 0.880 7.739 1.00 0.00 C ATOM 0 H ILE A 64 1.088 -2.280 8.675 1.00 0.00 H new ATOM 0 HA ILE A 64 3.359 -3.262 7.333 1.00 0.00 H new ATOM 0 HB ILE A 64 3.152 -1.180 9.552 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.226 -0.872 6.528 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.773 -0.766 7.501 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.306 -0.354 8.679 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.446 -2.019 9.291 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.366 -1.719 7.539 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.625 1.460 6.953 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.707 1.175 8.708 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.183 1.067 7.720 1.00 0.00 H new ATOM 1055 N LYS A 65 3.306 -3.804 10.617 1.00 0.00 N ATOM 1056 CA LYS A 65 3.896 -4.613 11.684 1.00 0.00 C ATOM 1057 C LYS A 65 3.511 -6.078 11.508 1.00 0.00 C ATOM 1058 O LYS A 65 4.158 -6.976 12.044 1.00 0.00 O ATOM 1059 CB LYS A 65 3.458 -4.109 13.068 1.00 0.00 C ATOM 1060 CG LYS A 65 1.983 -4.323 13.372 1.00 0.00 C ATOM 1061 CD LYS A 65 1.599 -3.784 14.742 1.00 0.00 C ATOM 1062 CE LYS A 65 1.697 -2.268 14.811 1.00 0.00 C ATOM 1063 NZ LYS A 65 1.340 -1.760 16.161 1.00 0.00 N ATOM 0 H LYS A 65 2.544 -3.198 10.921 1.00 0.00 H new ATOM 0 HA LYS A 65 4.980 -4.521 11.619 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.051 -4.614 13.830 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.682 -3.045 13.142 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.380 -3.832 12.608 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.754 -5.388 13.324 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.581 -4.092 14.979 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.249 -4.223 15.499 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.711 -1.956 14.560 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.034 -1.825 14.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.417 -0.723 16.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.364 -2.037 16.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.989 -2.164 16.867 1.00 0.00 H new ATOM 1077 N LYS A 66 2.448 -6.305 10.753 1.00 0.00 N ATOM 1078 CA LYS A 66 2.035 -7.644 10.372 1.00 0.00 C ATOM 1079 C LYS A 66 3.125 -8.301 9.527 1.00 0.00 C ATOM 1080 O LYS A 66 3.445 -9.475 9.705 1.00 0.00 O ATOM 1081 CB LYS A 66 0.711 -7.557 9.609 1.00 0.00 C ATOM 1082 CG LYS A 66 0.219 -8.864 9.019 1.00 0.00 C ATOM 1083 CD LYS A 66 -1.150 -8.675 8.389 1.00 0.00 C ATOM 1084 CE LYS A 66 -1.585 -9.894 7.597 1.00 0.00 C ATOM 1085 NZ LYS A 66 -2.967 -9.745 7.069 1.00 0.00 N ATOM 0 H LYS A 66 1.848 -5.565 10.388 1.00 0.00 H new ATOM 0 HA LYS A 66 1.886 -8.260 11.258 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.054 -7.170 10.283 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.822 -6.832 8.803 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.925 -9.222 8.270 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.167 -9.625 9.797 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.883 -8.469 9.169 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.130 -7.805 7.733 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.895 -10.055 6.769 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.532 -10.778 8.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.563 -10.514 7.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.357 -8.830 7.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.948 -9.787 6.030 1.00 0.00 H new ATOM 1099 N ILE A 67 3.712 -7.524 8.625 1.00 0.00 N ATOM 1100 CA ILE A 67 4.823 -8.005 7.813 1.00 0.00 C ATOM 1101 C ILE A 67 6.117 -8.000 8.631 1.00 0.00 C ATOM 1102 O ILE A 67 6.999 -8.839 8.431 1.00 0.00 O ATOM 1103 CB ILE A 67 5.003 -7.147 6.544 1.00 0.00 C ATOM 1104 CG1 ILE A 67 3.683 -7.059 5.774 1.00 0.00 C ATOM 1105 CG2 ILE A 67 6.093 -7.733 5.657 1.00 0.00 C ATOM 1106 CD1 ILE A 67 3.723 -6.097 4.608 1.00 0.00 C ATOM 0 H ILE A 67 3.438 -6.560 8.437 1.00 0.00 H new ATOM 0 HA ILE A 67 4.594 -9.025 7.505 1.00 0.00 H new ATOM 0 HB ILE A 67 5.302 -6.142 6.843 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.420 -8.051 5.406 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.892 -6.753 6.459 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.208 -7.116 4.766 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.035 -7.757 6.205 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.818 -8.746 5.364 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.753 -6.088 4.111 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.955 -5.095 4.970 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.490 -6.413 3.901 1.00 0.00 H new ATOM 1118 N GLU A 68 6.214 -7.053 9.561 1.00 0.00 N ATOM 1119 CA GLU A 68 7.326 -7.011 10.506 1.00 0.00 C ATOM 1120 C GLU A 68 7.402 -8.323 11.283 1.00 0.00 C ATOM 1121 O GLU A 68 8.465 -8.934 11.406 1.00 0.00 O ATOM 1122 CB GLU A 68 7.152 -5.842 11.481 1.00 0.00 C ATOM 1123 CG GLU A 68 8.227 -5.775 12.550 1.00 0.00 C ATOM 1124 CD GLU A 68 7.869 -4.847 13.691 1.00 0.00 C ATOM 1125 OE1 GLU A 68 6.980 -5.202 14.493 1.00 0.00 O ATOM 1126 OE2 GLU A 68 8.491 -3.772 13.807 1.00 0.00 O ATOM 0 H GLU A 68 5.534 -6.303 9.680 1.00 0.00 H new ATOM 0 HA GLU A 68 8.252 -6.871 9.948 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.152 -4.908 10.919 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.178 -5.924 11.963 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.402 -6.776 12.944 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.161 -5.442 12.098 1.00 0.00 H new ATOM 1133 N LYS A 69 6.252 -8.760 11.789 1.00 0.00 N ATOM 1134 CA LYS A 69 6.164 -9.990 12.561 1.00 0.00 C ATOM 1135 C LYS A 69 6.360 -11.209 11.657 1.00 0.00 C ATOM 1136 O LYS A 69 6.657 -12.306 12.131 1.00 0.00 O ATOM 1137 CB LYS A 69 4.810 -10.067 13.273 1.00 0.00 C ATOM 1138 CG LYS A 69 4.731 -11.165 14.321 1.00 0.00 C ATOM 1139 CD LYS A 69 3.357 -11.224 14.965 1.00 0.00 C ATOM 1140 CE LYS A 69 3.313 -12.258 16.074 1.00 0.00 C ATOM 1141 NZ LYS A 69 1.955 -12.380 16.661 1.00 0.00 N ATOM 0 H LYS A 69 5.363 -8.274 11.675 1.00 0.00 H new ATOM 0 HA LYS A 69 6.957 -9.988 13.309 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.605 -9.108 13.749 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.028 -10.229 12.531 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.959 -12.126 13.860 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.486 -10.992 15.088 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.099 -10.244 15.368 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.609 -11.465 14.210 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.628 -13.225 15.682 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.023 -11.984 16.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.966 -13.096 17.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.665 -11.464 17.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.282 -12.666 15.922 1.00 0.00 H new ATOM 1155 N LEU A 70 6.203 -11.003 10.354 1.00 0.00 N ATOM 1156 CA LEU A 70 6.429 -12.057 9.374 1.00 0.00 C ATOM 1157 C LEU A 70 7.926 -12.330 9.244 1.00 0.00 C ATOM 1158 O LEU A 70 8.344 -13.400 8.801 1.00 0.00 O ATOM 1159 CB LEU A 70 5.844 -11.645 8.017 1.00 0.00 C ATOM 1160 CG LEU A 70 5.919 -12.700 6.912 1.00 0.00 C ATOM 1161 CD1 LEU A 70 4.960 -13.844 7.194 1.00 0.00 C ATOM 1162 CD2 LEU A 70 5.625 -12.069 5.559 1.00 0.00 C ATOM 0 H LEU A 70 5.918 -10.110 9.951 1.00 0.00 H new ATOM 0 HA LEU A 70 5.932 -12.968 9.707 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.799 -11.371 8.161 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.364 -10.750 7.675 1.00 0.00 H new ATOM 0 HG LEU A 70 6.930 -13.107 6.890 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.030 -14.583 6.395 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.220 -14.311 8.144 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.941 -13.460 7.245 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.682 -12.831 4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.625 -11.635 5.569 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.357 -11.288 5.355 1.00 0.00 H new ATOM 1174 N GLY A 71 8.727 -11.347 9.643 1.00 0.00 N ATOM 1175 CA GLY A 71 10.167 -11.492 9.600 1.00 0.00 C ATOM 1176 C GLY A 71 10.774 -10.775 8.417 1.00 0.00 C ATOM 1177 O GLY A 71 11.971 -10.899 8.148 1.00 0.00 O ATOM 0 H GLY A 71 8.400 -10.448 9.997 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.598 -11.100 10.521 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.423 -12.550 9.553 1.00 0.00 H new ATOM 1181 N TYR A 72 9.954 -10.014 7.711 1.00 0.00 N ATOM 1182 CA TYR A 72 10.403 -9.327 6.509 1.00 0.00 C ATOM 1183 C TYR A 72 10.279 -7.816 6.655 1.00 0.00 C ATOM 1184 O TYR A 72 9.242 -7.232 6.343 1.00 0.00 O ATOM 1185 CB TYR A 72 9.610 -9.811 5.294 1.00 0.00 C ATOM 1186 CG TYR A 72 9.909 -11.241 4.899 1.00 0.00 C ATOM 1187 CD1 TYR A 72 9.331 -12.308 5.574 1.00 0.00 C ATOM 1188 CD2 TYR A 72 10.771 -11.521 3.848 1.00 0.00 C ATOM 1189 CE1 TYR A 72 9.605 -13.614 5.214 1.00 0.00 C ATOM 1190 CE2 TYR A 72 11.050 -12.822 3.479 1.00 0.00 C ATOM 1191 CZ TYR A 72 10.465 -13.865 4.165 1.00 0.00 C ATOM 1192 OH TYR A 72 10.738 -15.165 3.802 1.00 0.00 O ATOM 0 H TYR A 72 8.975 -9.856 7.948 1.00 0.00 H new ATOM 0 HA TYR A 72 11.457 -9.563 6.361 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.545 -9.718 5.506 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.825 -9.158 4.448 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.656 -12.114 6.394 1.00 0.00 H new ATOM 0 HD2 TYR A 72 11.232 -10.707 3.309 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.149 -14.433 5.751 1.00 0.00 H new ATOM 0 HE2 TYR A 72 11.723 -13.021 2.658 1.00 0.00 H new ATOM 0 HH TYR A 72 11.361 -15.169 3.045 1.00 0.00 H new ATOM 1202 N LEU A 73 11.344 -7.185 7.124 1.00 0.00 N ATOM 1203 CA LEU A 73 11.342 -5.745 7.335 1.00 0.00 C ATOM 1204 C LEU A 73 11.480 -5.004 6.013 1.00 0.00 C ATOM 1205 O LEU A 73 10.867 -3.956 5.817 1.00 0.00 O ATOM 1206 CB LEU A 73 12.462 -5.338 8.294 1.00 0.00 C ATOM 1207 CG LEU A 73 12.274 -5.804 9.738 1.00 0.00 C ATOM 1208 CD1 LEU A 73 13.432 -5.342 10.605 1.00 0.00 C ATOM 1209 CD2 LEU A 73 10.959 -5.280 10.288 1.00 0.00 C ATOM 0 H LEU A 73 12.221 -7.647 7.366 1.00 0.00 H new ATOM 0 HA LEU A 73 10.387 -5.471 7.783 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.405 -5.737 7.919 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.550 -4.252 8.287 1.00 0.00 H new ATOM 0 HG LEU A 73 12.252 -6.894 9.751 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.279 -5.684 11.629 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.363 -5.757 10.219 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.486 -4.253 10.590 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.835 -5.618 11.317 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.962 -4.190 10.261 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.135 -5.656 9.681 1.00 0.00 H new ATOM 1221 N GLU A 74 12.275 -5.556 5.103 1.00 0.00 N ATOM 1222 CA GLU A 74 12.428 -4.962 3.783 1.00 0.00 C ATOM 1223 C GLU A 74 11.099 -4.994 3.042 1.00 0.00 C ATOM 1224 O GLU A 74 10.690 -4.004 2.439 1.00 0.00 O ATOM 1225 CB GLU A 74 13.483 -5.697 2.957 1.00 0.00 C ATOM 1226 CG GLU A 74 13.748 -5.027 1.620 1.00 0.00 C ATOM 1227 CD GLU A 74 14.429 -5.938 0.626 1.00 0.00 C ATOM 1228 OE1 GLU A 74 15.665 -6.071 0.685 1.00 0.00 O ATOM 1229 OE2 GLU A 74 13.724 -6.508 -0.234 1.00 0.00 O ATOM 0 H GLU A 74 12.818 -6.406 5.254 1.00 0.00 H new ATOM 0 HA GLU A 74 12.754 -3.931 3.920 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.412 -5.748 3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.156 -6.723 2.787 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.803 -4.682 1.200 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.368 -4.144 1.779 1.00 0.00 H new ATOM 1236 N ILE A 75 10.425 -6.137 3.103 1.00 0.00 N ATOM 1237 CA ILE A 75 9.122 -6.288 2.474 1.00 0.00 C ATOM 1238 C ILE A 75 8.134 -5.294 3.072 1.00 0.00 C ATOM 1239 O ILE A 75 7.385 -4.647 2.346 1.00 0.00 O ATOM 1240 CB ILE A 75 8.577 -7.728 2.620 1.00 0.00 C ATOM 1241 CG1 ILE A 75 9.517 -8.726 1.934 1.00 0.00 C ATOM 1242 CG2 ILE A 75 7.169 -7.839 2.044 1.00 0.00 C ATOM 1243 CD1 ILE A 75 9.677 -8.500 0.442 1.00 0.00 C ATOM 0 H ILE A 75 10.761 -6.972 3.582 1.00 0.00 H new ATOM 0 HA ILE A 75 9.244 -6.085 1.410 1.00 0.00 H new ATOM 0 HB ILE A 75 8.528 -7.967 3.682 1.00 0.00 H new ATOM 0 HG12 ILE A 75 10.498 -8.669 2.407 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.141 -9.736 2.100 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.808 -8.861 2.159 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.504 -7.158 2.575 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.187 -7.577 0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.357 -9.247 0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.706 -8.587 -0.045 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.083 -7.504 0.266 1.00 0.00 H new ATOM 1255 N ALA A 76 8.163 -5.157 4.396 1.00 0.00 N ATOM 1256 CA ALA A 76 7.312 -4.195 5.087 1.00 0.00 C ATOM 1257 C ALA A 76 7.572 -2.780 4.579 1.00 0.00 C ATOM 1258 O ALA A 76 6.638 -2.028 4.306 1.00 0.00 O ATOM 1259 CB ALA A 76 7.537 -4.268 6.591 1.00 0.00 C ATOM 0 H ALA A 76 8.768 -5.701 5.011 1.00 0.00 H new ATOM 0 HA ALA A 76 6.273 -4.448 4.878 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.894 -3.543 7.091 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.299 -5.271 6.946 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.580 -4.042 6.814 1.00 0.00 H new ATOM 1265 N MET A 77 8.847 -2.427 4.443 1.00 0.00 N ATOM 1266 CA MET A 77 9.223 -1.111 3.936 1.00 0.00 C ATOM 1267 C MET A 77 8.772 -0.936 2.488 1.00 0.00 C ATOM 1268 O MET A 77 8.218 0.103 2.127 1.00 0.00 O ATOM 1269 CB MET A 77 10.736 -0.890 4.037 1.00 0.00 C ATOM 1270 CG MET A 77 11.276 -0.811 5.461 1.00 0.00 C ATOM 1271 SD MET A 77 10.508 0.489 6.458 1.00 0.00 S ATOM 1272 CE MET A 77 9.099 -0.385 7.136 1.00 0.00 C ATOM 0 H MET A 77 9.635 -3.032 4.676 1.00 0.00 H new ATOM 0 HA MET A 77 8.721 -0.368 4.555 1.00 0.00 H new ATOM 0 HB2 MET A 77 11.243 -1.701 3.515 1.00 0.00 H new ATOM 0 HB3 MET A 77 10.990 0.033 3.515 1.00 0.00 H new ATOM 0 HG2 MET A 77 11.123 -1.772 5.952 1.00 0.00 H new ATOM 0 HG3 MET A 77 12.352 -0.640 5.423 1.00 0.00 H new ATOM 0 HE1 MET A 77 8.182 0.009 6.698 1.00 0.00 H new ATOM 0 HE2 MET A 77 9.184 -1.447 6.906 1.00 0.00 H new ATOM 0 HE3 MET A 77 9.073 -0.249 8.217 1.00 0.00 H new ATOM 1282 N ARG A 78 9.004 -1.958 1.669 1.00 0.00 N ATOM 1283 CA ARG A 78 8.610 -1.921 0.265 1.00 0.00 C ATOM 1284 C ARG A 78 7.100 -1.766 0.130 1.00 0.00 C ATOM 1285 O ARG A 78 6.624 -0.893 -0.595 1.00 0.00 O ATOM 1286 CB ARG A 78 9.064 -3.188 -0.470 1.00 0.00 C ATOM 1287 CG ARG A 78 10.570 -3.302 -0.640 1.00 0.00 C ATOM 1288 CD ARG A 78 10.936 -4.489 -1.522 1.00 0.00 C ATOM 1289 NE ARG A 78 12.380 -4.615 -1.725 1.00 0.00 N ATOM 1290 CZ ARG A 78 13.046 -4.043 -2.732 1.00 0.00 C ATOM 1291 NH1 ARG A 78 12.410 -3.250 -3.589 1.00 0.00 N ATOM 1292 NH2 ARG A 78 14.349 -4.260 -2.875 1.00 0.00 N ATOM 0 H ARG A 78 9.463 -2.823 1.954 1.00 0.00 H new ATOM 0 HA ARG A 78 9.098 -1.059 -0.189 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.704 -4.060 0.076 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.595 -3.212 -1.454 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.959 -2.384 -1.081 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.042 -3.412 0.336 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.555 -5.404 -1.069 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.445 -4.383 -2.489 1.00 0.00 H new ATOM 0 HE ARG A 78 12.910 -5.174 -1.057 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.411 -3.077 -3.479 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.921 -2.815 -4.357 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.841 -4.863 -2.216 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.857 -3.823 -3.644 1.00 0.00 H new ATOM 1306 N VAL A 79 6.354 -2.610 0.839 1.00 0.00 N ATOM 1307 CA VAL A 79 4.897 -2.566 0.802 1.00 0.00 C ATOM 1308 C VAL A 79 4.389 -1.218 1.301 1.00 0.00 C ATOM 1309 O VAL A 79 3.473 -0.632 0.716 1.00 0.00 O ATOM 1310 CB VAL A 79 4.270 -3.704 1.641 1.00 0.00 C ATOM 1311 CG1 VAL A 79 2.762 -3.531 1.756 1.00 0.00 C ATOM 1312 CG2 VAL A 79 4.596 -5.058 1.025 1.00 0.00 C ATOM 0 H VAL A 79 6.737 -3.334 1.447 1.00 0.00 H new ATOM 0 HA VAL A 79 4.595 -2.703 -0.236 1.00 0.00 H new ATOM 0 HB VAL A 79 4.697 -3.658 2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.347 -4.345 2.351 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.541 -2.579 2.239 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.317 -3.545 0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.148 -5.849 1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.197 -5.102 0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.677 -5.193 0.995 1.00 0.00 H new ATOM 1322 N LYS A 80 5.002 -0.718 2.369 1.00 0.00 N ATOM 1323 CA LYS A 80 4.626 0.575 2.912 1.00 0.00 C ATOM 1324 C LYS A 80 4.878 1.670 1.888 1.00 0.00 C ATOM 1325 O LYS A 80 4.088 2.592 1.766 1.00 0.00 O ATOM 1326 CB LYS A 80 5.404 0.897 4.190 1.00 0.00 C ATOM 1327 CG LYS A 80 4.891 2.145 4.899 1.00 0.00 C ATOM 1328 CD LYS A 80 5.833 2.605 6.000 1.00 0.00 C ATOM 1329 CE LYS A 80 7.089 3.244 5.431 1.00 0.00 C ATOM 1330 NZ LYS A 80 6.782 4.450 4.607 1.00 0.00 N ATOM 0 H LYS A 80 5.756 -1.188 2.870 1.00 0.00 H new ATOM 0 HA LYS A 80 3.564 0.529 3.154 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.342 0.048 4.870 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.457 1.032 3.944 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.764 2.948 4.173 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.908 1.942 5.325 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.320 3.320 6.643 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.107 1.754 6.624 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.755 3.523 6.248 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.622 2.515 4.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.139 4.310 3.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.753 4.598 4.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.240 5.284 5.028 1.00 0.00 H new ATOM 1344 N GLN A 81 5.986 1.567 1.163 1.00 0.00 N ATOM 1345 CA GLN A 81 6.347 2.573 0.167 1.00 0.00 C ATOM 1346 C GLN A 81 5.286 2.673 -0.931 1.00 0.00 C ATOM 1347 O GLN A 81 4.860 3.779 -1.280 1.00 0.00 O ATOM 1348 CB GLN A 81 7.722 2.274 -0.437 1.00 0.00 C ATOM 1349 CG GLN A 81 8.234 3.364 -1.370 1.00 0.00 C ATOM 1350 CD GLN A 81 8.237 4.739 -0.722 1.00 0.00 C ATOM 1351 OE1 GLN A 81 9.205 5.137 -0.076 1.00 0.00 O ATOM 1352 NE2 GLN A 81 7.152 5.480 -0.894 1.00 0.00 N ATOM 0 H GLN A 81 6.651 0.798 1.245 1.00 0.00 H new ATOM 0 HA GLN A 81 6.397 3.537 0.674 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.440 2.133 0.371 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.671 1.334 -0.986 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.246 3.116 -1.691 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.613 3.391 -2.266 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.368 5.118 -1.436 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.101 6.413 -0.484 1.00 0.00 H new ATOM 1361 N TYR A 82 4.863 1.532 -1.473 1.00 0.00 N ATOM 1362 CA TYR A 82 3.755 1.511 -2.427 1.00 0.00 C ATOM 1363 C TYR A 82 2.540 2.204 -1.818 1.00 0.00 C ATOM 1364 O TYR A 82 1.961 3.118 -2.409 1.00 0.00 O ATOM 1365 CB TYR A 82 3.362 0.075 -2.798 1.00 0.00 C ATOM 1366 CG TYR A 82 4.505 -0.820 -3.226 1.00 0.00 C ATOM 1367 CD1 TYR A 82 5.409 -0.431 -4.207 1.00 0.00 C ATOM 1368 CD2 TYR A 82 4.667 -2.071 -2.644 1.00 0.00 C ATOM 1369 CE1 TYR A 82 6.444 -1.265 -4.593 1.00 0.00 C ATOM 1370 CE2 TYR A 82 5.694 -2.908 -3.024 1.00 0.00 C ATOM 1371 CZ TYR A 82 6.580 -2.502 -3.997 1.00 0.00 C ATOM 1372 OH TYR A 82 7.597 -3.345 -4.382 1.00 0.00 O ATOM 0 H TYR A 82 5.266 0.617 -1.270 1.00 0.00 H new ATOM 0 HA TYR A 82 4.083 2.031 -3.327 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.867 -0.381 -1.941 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.631 0.113 -3.605 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.302 0.536 -4.675 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.975 -2.394 -1.880 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.141 -0.950 -5.356 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.803 -3.878 -2.561 1.00 0.00 H new ATOM 0 HH TYR A 82 8.171 -3.539 -3.611 1.00 0.00 H new ATOM 1382 N ALA A 83 2.183 1.772 -0.613 1.00 0.00 N ATOM 1383 CA ALA A 83 1.026 2.304 0.094 1.00 0.00 C ATOM 1384 C ALA A 83 1.169 3.797 0.373 1.00 0.00 C ATOM 1385 O ALA A 83 0.201 4.537 0.281 1.00 0.00 O ATOM 1386 CB ALA A 83 0.808 1.547 1.395 1.00 0.00 C ATOM 0 H ALA A 83 2.686 1.046 -0.102 1.00 0.00 H new ATOM 0 HA ALA A 83 0.158 2.169 -0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.060 1.955 1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.638 0.492 1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.689 1.650 2.028 1.00 0.00 H new ATOM 1392 N THR A 84 2.381 4.233 0.701 1.00 0.00 N ATOM 1393 CA THR A 84 2.640 5.636 1.010 1.00 0.00 C ATOM 1394 C THR A 84 2.287 6.522 -0.186 1.00 0.00 C ATOM 1395 O THR A 84 1.718 7.602 -0.028 1.00 0.00 O ATOM 1396 CB THR A 84 4.117 5.860 1.414 1.00 0.00 C ATOM 1397 OG1 THR A 84 4.452 5.020 2.531 1.00 0.00 O ATOM 1398 CG2 THR A 84 4.375 7.313 1.782 1.00 0.00 C ATOM 0 H THR A 84 3.203 3.632 0.760 1.00 0.00 H new ATOM 0 HA THR A 84 2.009 5.910 1.856 1.00 0.00 H new ATOM 0 HB THR A 84 4.740 5.604 0.557 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.699 4.128 2.207 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.421 7.437 2.061 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.149 7.950 0.927 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.740 7.594 2.622 1.00 0.00 H new ATOM 1406 N ALA A 85 2.599 6.040 -1.382 1.00 0.00 N ATOM 1407 CA ALA A 85 2.252 6.753 -2.601 1.00 0.00 C ATOM 1408 C ALA A 85 0.737 6.798 -2.775 1.00 0.00 C ATOM 1409 O ALA A 85 0.184 7.796 -3.239 1.00 0.00 O ATOM 1410 CB ALA A 85 2.915 6.100 -3.803 1.00 0.00 C ATOM 0 H ALA A 85 3.091 5.159 -1.532 1.00 0.00 H new ATOM 0 HA ALA A 85 2.618 7.777 -2.525 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.646 6.645 -4.708 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.997 6.119 -3.676 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.578 5.067 -3.888 1.00 0.00 H new ATOM 1416 N ILE A 86 0.072 5.716 -2.384 1.00 0.00 N ATOM 1417 CA ILE A 86 -1.382 5.644 -2.446 1.00 0.00 C ATOM 1418 C ILE A 86 -2.007 6.552 -1.388 1.00 0.00 C ATOM 1419 O ILE A 86 -3.057 7.150 -1.608 1.00 0.00 O ATOM 1420 CB ILE A 86 -1.887 4.198 -2.229 1.00 0.00 C ATOM 1421 CG1 ILE A 86 -1.154 3.227 -3.157 1.00 0.00 C ATOM 1422 CG2 ILE A 86 -3.389 4.122 -2.469 1.00 0.00 C ATOM 1423 CD1 ILE A 86 -1.531 1.775 -2.948 1.00 0.00 C ATOM 0 H ILE A 86 0.519 4.875 -2.020 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.680 5.975 -3.441 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.681 3.913 -1.197 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.362 3.501 -4.191 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.080 3.338 -3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.731 3.099 -2.313 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.903 4.786 -1.774 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.610 4.426 -3.492 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.970 1.150 -3.642 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.296 1.482 -1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.599 1.647 -3.126 1.00 0.00 H new ATOM 1435 N MET A 87 -1.343 6.658 -0.247 1.00 0.00 N ATOM 1436 CA MET A 87 -1.841 7.458 0.866 1.00 0.00 C ATOM 1437 C MET A 87 -1.874 8.935 0.515 1.00 0.00 C ATOM 1438 O MET A 87 -2.879 9.606 0.738 1.00 0.00 O ATOM 1439 CB MET A 87 -0.985 7.237 2.111 1.00 0.00 C ATOM 1440 CG MET A 87 -1.068 5.821 2.648 1.00 0.00 C ATOM 1441 SD MET A 87 0.112 5.495 3.969 1.00 0.00 S ATOM 1442 CE MET A 87 -0.166 3.743 4.207 1.00 0.00 C ATOM 0 H MET A 87 -0.451 6.197 -0.065 1.00 0.00 H new ATOM 0 HA MET A 87 -2.861 7.134 1.073 1.00 0.00 H new ATOM 0 HB2 MET A 87 0.054 7.470 1.876 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.299 7.933 2.889 1.00 0.00 H new ATOM 0 HG2 MET A 87 -2.077 5.638 3.017 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.894 5.119 1.833 1.00 0.00 H new ATOM 0 HE1 MET A 87 -0.161 3.515 5.273 1.00 0.00 H new ATOM 0 HE2 MET A 87 -1.131 3.467 3.782 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.624 3.179 3.711 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.786 9.448 -0.045 1.00 0.00 N ATOM 1453 CA ARG A 88 -0.745 10.851 -0.427 1.00 0.00 C ATOM 1454 C ARG A 88 -1.648 11.084 -1.635 1.00 0.00 C ATOM 1455 O ARG A 88 -2.163 12.183 -1.841 1.00 0.00 O ATOM 1456 CB ARG A 88 0.686 11.304 -0.717 1.00 0.00 C ATOM 1457 CG ARG A 88 0.870 12.809 -0.588 1.00 0.00 C ATOM 1458 CD ARG A 88 2.336 13.204 -0.600 1.00 0.00 C ATOM 1459 NE ARG A 88 2.928 13.117 -1.932 1.00 0.00 N ATOM 1460 CZ ARG A 88 4.122 12.588 -2.182 1.00 0.00 C ATOM 1461 NH1 ARG A 88 4.809 12.002 -1.206 1.00 0.00 N ATOM 1462 NH2 ARG A 88 4.619 12.632 -3.412 1.00 0.00 N ATOM 0 H ARG A 88 0.066 8.923 -0.242 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.112 11.449 0.407 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.367 10.800 -0.031 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.962 10.995 -1.725 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.353 13.309 -1.407 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.409 13.153 0.338 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.437 14.223 -0.227 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.889 12.558 0.082 1.00 0.00 H new ATOM 0 HE ARG A 88 2.393 13.485 -2.719 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.420 11.958 -0.264 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.725 11.597 -1.399 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.085 13.071 -4.162 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.535 12.227 -3.607 1.00 0.00 H new ATOM 1476 N TYR A 89 -1.850 10.035 -2.420 1.00 0.00 N ATOM 1477 CA TYR A 89 -2.815 10.065 -3.510 1.00 0.00 C ATOM 1478 C TYR A 89 -4.229 10.166 -2.932 1.00 0.00 C ATOM 1479 O TYR A 89 -5.092 10.857 -3.474 1.00 0.00 O ATOM 1480 CB TYR A 89 -2.661 8.805 -4.372 1.00 0.00 C ATOM 1481 CG TYR A 89 -3.629 8.712 -5.529 1.00 0.00 C ATOM 1482 CD1 TYR A 89 -3.454 9.483 -6.671 1.00 0.00 C ATOM 1483 CD2 TYR A 89 -4.713 7.845 -5.481 1.00 0.00 C ATOM 1484 CE1 TYR A 89 -4.336 9.394 -7.732 1.00 0.00 C ATOM 1485 CE2 TYR A 89 -5.599 7.751 -6.536 1.00 0.00 C ATOM 1486 CZ TYR A 89 -5.405 8.527 -7.660 1.00 0.00 C ATOM 1487 OH TYR A 89 -6.287 8.440 -8.713 1.00 0.00 O ATOM 0 H TYR A 89 -1.356 9.148 -2.321 1.00 0.00 H new ATOM 0 HA TYR A 89 -2.635 10.934 -4.142 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.644 8.770 -4.763 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -2.789 7.928 -3.737 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.616 10.162 -6.731 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.866 7.234 -4.604 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.188 10.001 -8.613 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.439 7.074 -6.482 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.192 8.647 -8.399 1.00 0.00 H new ATOM 1497 N ALA A 90 -4.438 9.488 -1.810 1.00 0.00 N ATOM 1498 CA ALA A 90 -5.707 9.530 -1.097 1.00 0.00 C ATOM 1499 C ALA A 90 -5.946 10.910 -0.494 1.00 0.00 C ATOM 1500 O ALA A 90 -7.084 11.376 -0.421 1.00 0.00 O ATOM 1501 CB ALA A 90 -5.736 8.468 -0.012 1.00 0.00 C ATOM 0 H ALA A 90 -3.734 8.895 -1.370 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.506 9.327 -1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.690 8.510 0.513 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.614 7.483 -0.463 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.925 8.647 0.694 1.00 0.00 H new ATOM 1507 N VAL A 91 -4.869 11.555 -0.058 1.00 0.00 N ATOM 1508 CA VAL A 91 -4.944 12.922 0.452 1.00 0.00 C ATOM 1509 C VAL A 91 -5.382 13.868 -0.661 1.00 0.00 C ATOM 1510 O VAL A 91 -6.190 14.769 -0.448 1.00 0.00 O ATOM 1511 CB VAL A 91 -3.585 13.401 1.019 1.00 0.00 C ATOM 1512 CG1 VAL A 91 -3.689 14.828 1.541 1.00 0.00 C ATOM 1513 CG2 VAL A 91 -3.099 12.470 2.117 1.00 0.00 C ATOM 0 H VAL A 91 -3.932 11.153 -0.047 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.673 12.929 1.262 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.858 13.384 0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.722 15.143 1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.984 15.492 0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.435 14.872 2.334 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.143 12.827 2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.829 12.449 2.926 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.976 11.465 1.714 1.00 0.00 H new ATOM 1523 N GLN A 92 -4.855 13.629 -1.857 1.00 0.00 N ATOM 1524 CA GLN A 92 -5.205 14.425 -3.028 1.00 0.00 C ATOM 1525 C GLN A 92 -6.665 14.212 -3.411 1.00 0.00 C ATOM 1526 O GLN A 92 -7.331 15.128 -3.889 1.00 0.00 O ATOM 1527 CB GLN A 92 -4.286 14.068 -4.196 1.00 0.00 C ATOM 1528 CG GLN A 92 -2.844 14.492 -3.973 1.00 0.00 C ATOM 1529 CD GLN A 92 -1.902 13.957 -5.031 1.00 0.00 C ATOM 1530 OE1 GLN A 92 -1.689 14.583 -6.067 1.00 0.00 O ATOM 1531 NE2 GLN A 92 -1.316 12.800 -4.768 1.00 0.00 N ATOM 0 H GLN A 92 -4.180 12.886 -2.041 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.071 15.479 -2.784 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -4.320 12.991 -4.361 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -4.661 14.541 -5.103 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.788 15.581 -3.961 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -2.516 14.145 -2.993 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -1.520 12.312 -3.896 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.660 12.397 -5.437 1.00 0.00 H new ATOM 1540 N GLN A 93 -7.165 13.003 -3.189 1.00 0.00 N ATOM 1541 CA GLN A 93 -8.575 12.711 -3.431 1.00 0.00 C ATOM 1542 C GLN A 93 -9.416 13.077 -2.210 1.00 0.00 C ATOM 1543 O GLN A 93 -10.629 12.849 -2.190 1.00 0.00 O ATOM 1544 CB GLN A 93 -8.780 11.239 -3.790 1.00 0.00 C ATOM 1545 CG GLN A 93 -8.099 10.826 -5.085 1.00 0.00 C ATOM 1546 CD GLN A 93 -8.507 9.441 -5.546 1.00 0.00 C ATOM 1547 OE1 GLN A 93 -8.510 9.150 -6.741 1.00 0.00 O ATOM 1548 NE2 GLN A 93 -8.863 8.577 -4.608 1.00 0.00 N ATOM 0 H GLN A 93 -6.621 12.212 -2.844 1.00 0.00 H new ATOM 0 HA GLN A 93 -8.900 13.317 -4.277 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.401 10.620 -2.977 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.848 11.039 -3.872 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -8.340 11.549 -5.864 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.018 10.855 -4.947 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.848 8.855 -3.627 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.152 7.634 -4.867 1.00 0.00 H new ATOM 1557 N LYS A 94 -8.752 13.633 -1.195 1.00 0.00 N ATOM 1558 CA LYS A 94 -9.414 14.153 -0.002 1.00 0.00 C ATOM 1559 C LYS A 94 -10.177 13.051 0.738 1.00 0.00 C ATOM 1560 O LYS A 94 -11.279 13.267 1.243 1.00 0.00 O ATOM 1561 CB LYS A 94 -10.358 15.290 -0.405 1.00 0.00 C ATOM 1562 CG LYS A 94 -10.750 16.211 0.738 1.00 0.00 C ATOM 1563 CD LYS A 94 -11.611 17.356 0.238 1.00 0.00 C ATOM 1564 CE LYS A 94 -12.025 18.287 1.363 1.00 0.00 C ATOM 1565 NZ LYS A 94 -12.881 19.393 0.863 1.00 0.00 N ATOM 0 H LYS A 94 -7.737 13.735 -1.179 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.656 14.535 0.682 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.882 15.882 -1.187 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.262 14.860 -0.837 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.293 15.646 1.496 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.854 16.606 1.216 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.062 17.920 -0.516 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.501 16.956 -0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.564 17.723 2.124 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.137 18.700 1.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.147 20.012 1.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.357 19.945 0.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.740 18.998 0.429 1.00 0.00 H new ATOM 1579 N MET A 95 -9.587 11.865 0.807 1.00 0.00 N ATOM 1580 CA MET A 95 -10.236 10.747 1.483 1.00 0.00 C ATOM 1581 C MET A 95 -9.774 10.656 2.926 1.00 0.00 C ATOM 1582 O MET A 95 -10.556 10.333 3.819 1.00 0.00 O ATOM 1583 CB MET A 95 -9.941 9.425 0.778 1.00 0.00 C ATOM 1584 CG MET A 95 -10.198 9.450 -0.715 1.00 0.00 C ATOM 1585 SD MET A 95 -10.205 7.799 -1.437 1.00 0.00 S ATOM 1586 CE MET A 95 -8.770 7.069 -0.652 1.00 0.00 C ATOM 0 H MET A 95 -8.672 11.652 0.409 1.00 0.00 H new ATOM 0 HA MET A 95 -11.310 10.929 1.454 1.00 0.00 H new ATOM 0 HB2 MET A 95 -8.899 9.157 0.952 1.00 0.00 H new ATOM 0 HB3 MET A 95 -10.551 8.642 1.228 1.00 0.00 H new ATOM 0 HG2 MET A 95 -11.156 9.932 -0.908 1.00 0.00 H new ATOM 0 HG3 MET A 95 -9.433 10.054 -1.203 1.00 0.00 H new ATOM 0 HE1 MET A 95 -8.697 6.018 -0.933 1.00 0.00 H new ATOM 0 HE2 MET A 95 -7.872 7.594 -0.976 1.00 0.00 H new ATOM 0 HE3 MET A 95 -8.867 7.150 0.431 1.00 0.00 H new ATOM 1596 N ILE A 96 -8.498 10.929 3.142 1.00 0.00 N ATOM 1597 CA ILE A 96 -7.923 10.879 4.475 1.00 0.00 C ATOM 1598 C ILE A 96 -7.464 12.264 4.905 1.00 0.00 C ATOM 1599 O ILE A 96 -7.479 13.202 4.106 1.00 0.00 O ATOM 1600 CB ILE A 96 -6.742 9.889 4.556 1.00 0.00 C ATOM 1601 CG1 ILE A 96 -5.660 10.243 3.532 1.00 0.00 C ATOM 1602 CG2 ILE A 96 -7.232 8.465 4.346 1.00 0.00 C ATOM 1603 CD1 ILE A 96 -4.466 9.312 3.569 1.00 0.00 C ATOM 0 H ILE A 96 -7.839 11.188 2.408 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.702 10.527 5.151 1.00 0.00 H new ATOM 0 HB ILE A 96 -6.301 9.963 5.550 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.096 10.223 2.533 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -5.321 11.263 3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.388 7.777 4.406 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.960 8.213 5.117 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.699 8.382 3.365 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.740 9.622 2.818 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -4.006 9.350 4.556 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.792 8.293 3.360 1.00 0.00 H new ATOM 1615 N ARG A 97 -7.053 12.385 6.159 1.00 0.00 N ATOM 1616 CA ARG A 97 -6.672 13.674 6.715 1.00 0.00 C ATOM 1617 C ARG A 97 -5.267 14.061 6.265 1.00 0.00 C ATOM 1618 O ARG A 97 -5.024 15.195 5.855 1.00 0.00 O ATOM 1619 CB ARG A 97 -6.736 13.626 8.242 1.00 0.00 C ATOM 1620 CG ARG A 97 -6.793 14.994 8.899 1.00 0.00 C ATOM 1621 CD ARG A 97 -6.697 14.886 10.413 1.00 0.00 C ATOM 1622 NE ARG A 97 -5.338 14.573 10.855 1.00 0.00 N ATOM 1623 CZ ARG A 97 -4.992 13.459 11.503 1.00 0.00 C ATOM 1624 NH1 ARG A 97 -5.892 12.513 11.750 1.00 0.00 N ATOM 1625 NH2 ARG A 97 -3.739 13.290 11.901 1.00 0.00 N ATOM 0 H ARG A 97 -6.975 11.605 6.811 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.372 14.426 6.351 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.614 13.053 8.541 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.863 13.090 8.616 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -5.978 15.614 8.524 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.723 15.492 8.626 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -7.018 15.825 10.864 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -7.380 14.113 10.765 1.00 0.00 H new ATOM 0 HE ARG A 97 -4.605 15.253 10.654 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -6.857 12.635 11.444 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -5.618 11.665 12.246 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -3.042 14.010 11.712 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -3.472 12.440 12.397 1.00 0.00 H new ATOM 1639 N PHE A 98 -4.350 13.109 6.338 1.00 0.00 N ATOM 1640 CA PHE A 98 -2.959 13.351 5.985 1.00 0.00 C ATOM 1641 C PHE A 98 -2.273 12.017 5.713 1.00 0.00 C ATOM 1642 O PHE A 98 -2.889 10.968 5.875 1.00 0.00 O ATOM 1643 CB PHE A 98 -2.256 14.106 7.123 1.00 0.00 C ATOM 1644 CG PHE A 98 -0.922 14.688 6.743 1.00 0.00 C ATOM 1645 CD1 PHE A 98 -0.847 15.793 5.912 1.00 0.00 C ATOM 1646 CD2 PHE A 98 0.255 14.131 7.218 1.00 0.00 C ATOM 1647 CE1 PHE A 98 0.375 16.330 5.562 1.00 0.00 C ATOM 1648 CE2 PHE A 98 1.480 14.665 6.871 1.00 0.00 C ATOM 1649 CZ PHE A 98 1.540 15.765 6.040 1.00 0.00 C ATOM 0 H PHE A 98 -4.546 12.155 6.641 1.00 0.00 H new ATOM 0 HA PHE A 98 -2.905 13.965 5.086 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -2.906 14.910 7.467 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -2.117 13.427 7.964 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -1.755 16.239 5.534 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.213 13.269 7.867 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.420 17.193 4.914 1.00 0.00 H new ATOM 0 HE2 PHE A 98 2.390 14.223 7.249 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.497 16.183 5.764 1.00 0.00 H new ATOM 1659 N ASN A 99 -1.015 12.058 5.295 1.00 0.00 N ATOM 1660 CA ASN A 99 -0.255 10.845 5.019 1.00 0.00 C ATOM 1661 C ASN A 99 0.536 10.437 6.265 1.00 0.00 C ATOM 1662 O ASN A 99 1.627 10.953 6.510 1.00 0.00 O ATOM 1663 CB ASN A 99 0.700 11.083 3.842 1.00 0.00 C ATOM 1664 CG ASN A 99 1.231 9.804 3.213 1.00 0.00 C ATOM 1665 OD1 ASN A 99 1.574 9.786 2.037 1.00 0.00 O ATOM 1666 ND2 ASN A 99 1.288 8.723 3.975 1.00 0.00 N ATOM 0 H ASN A 99 -0.497 12.922 5.139 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.943 10.042 4.756 1.00 0.00 H new ATOM 0 HB2 ASN A 99 0.183 11.665 3.079 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.542 11.684 4.185 1.00 0.00 H new ATOM 0 HD21 ASN A 99 1.625 7.842 3.586 1.00 0.00 H new ATOM 0 HD22 ASN A 99 0.995 8.771 4.951 1.00 0.00 H new ATOM 1673 N PRO A 100 0.007 9.480 7.049 1.00 0.00 N ATOM 1674 CA PRO A 100 0.579 9.102 8.353 1.00 0.00 C ATOM 1675 C PRO A 100 1.965 8.475 8.236 1.00 0.00 C ATOM 1676 O PRO A 100 2.760 8.514 9.176 1.00 0.00 O ATOM 1677 CB PRO A 100 -0.422 8.078 8.907 1.00 0.00 C ATOM 1678 CG PRO A 100 -1.659 8.258 8.096 1.00 0.00 C ATOM 1679 CD PRO A 100 -1.192 8.687 6.740 1.00 0.00 C ATOM 0 HA PRO A 100 0.719 9.974 8.991 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -0.037 7.062 8.816 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -0.617 8.251 9.965 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.229 7.331 8.039 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.314 9.008 8.541 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.960 7.834 6.102 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.946 9.278 6.220 1.00 0.00 H new ATOM 1687 N ALA A 101 2.256 7.909 7.072 1.00 0.00 N ATOM 1688 CA ALA A 101 3.540 7.265 6.834 1.00 0.00 C ATOM 1689 C ALA A 101 4.677 8.285 6.803 1.00 0.00 C ATOM 1690 O ALA A 101 5.851 7.917 6.886 1.00 0.00 O ATOM 1691 CB ALA A 101 3.493 6.468 5.539 1.00 0.00 C ATOM 0 H ALA A 101 1.618 7.883 6.276 1.00 0.00 H new ATOM 0 HA ALA A 101 3.737 6.581 7.660 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.458 5.990 5.370 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.718 5.705 5.609 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.269 7.137 4.708 1.00 0.00 H new ATOM 1697 N TYR A 102 4.330 9.563 6.679 1.00 0.00 N ATOM 1698 CA TYR A 102 5.326 10.626 6.712 1.00 0.00 C ATOM 1699 C TYR A 102 5.403 11.259 8.097 1.00 0.00 C ATOM 1700 O TYR A 102 6.429 11.829 8.466 1.00 0.00 O ATOM 1701 CB TYR A 102 5.030 11.701 5.663 1.00 0.00 C ATOM 1702 CG TYR A 102 5.454 11.322 4.262 1.00 0.00 C ATOM 1703 CD1 TYR A 102 6.800 11.204 3.932 1.00 0.00 C ATOM 1704 CD2 TYR A 102 4.515 11.093 3.266 1.00 0.00 C ATOM 1705 CE1 TYR A 102 7.196 10.866 2.651 1.00 0.00 C ATOM 1706 CE2 TYR A 102 4.903 10.753 1.984 1.00 0.00 C ATOM 1707 CZ TYR A 102 6.244 10.641 1.682 1.00 0.00 C ATOM 1708 OH TYR A 102 6.631 10.308 0.402 1.00 0.00 O ATOM 0 H TYR A 102 3.370 9.885 6.555 1.00 0.00 H new ATOM 0 HA TYR A 102 6.290 10.174 6.478 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.960 11.911 5.664 1.00 0.00 H new ATOM 0 HB3 TYR A 102 5.536 12.623 5.949 1.00 0.00 H new ATOM 0 HD1 TYR A 102 7.549 11.379 4.690 1.00 0.00 H new ATOM 0 HD2 TYR A 102 3.464 11.182 3.497 1.00 0.00 H new ATOM 0 HE1 TYR A 102 8.246 10.779 2.412 1.00 0.00 H new ATOM 0 HE2 TYR A 102 4.159 10.576 1.222 1.00 0.00 H new ATOM 0 HH TYR A 102 5.861 9.957 -0.092 1.00 0.00 H new ATOM 1718 N ASP A 103 4.322 11.138 8.864 1.00 0.00 N ATOM 1719 CA ASP A 103 4.278 11.679 10.222 1.00 0.00 C ATOM 1720 C ASP A 103 5.330 11.015 11.100 1.00 0.00 C ATOM 1721 O ASP A 103 5.896 11.644 11.996 1.00 0.00 O ATOM 1722 CB ASP A 103 2.894 11.486 10.848 1.00 0.00 C ATOM 1723 CG ASP A 103 1.852 12.426 10.276 1.00 0.00 C ATOM 1724 OD1 ASP A 103 1.918 13.641 10.573 1.00 0.00 O ATOM 1725 OD2 ASP A 103 0.959 11.958 9.543 1.00 0.00 O ATOM 0 H ASP A 103 3.465 10.670 8.569 1.00 0.00 H new ATOM 0 HA ASP A 103 4.487 12.747 10.157 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.571 10.456 10.693 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.963 11.640 11.925 1.00 0.00 H new ATOM 1730 N LEU A 104 5.589 9.742 10.828 1.00 0.00 N ATOM 1731 CA LEU A 104 6.593 8.984 11.564 1.00 0.00 C ATOM 1732 C LEU A 104 7.996 9.509 11.301 1.00 0.00 C ATOM 1733 O LEU A 104 8.871 9.390 12.161 1.00 0.00 O ATOM 1734 CB LEU A 104 6.555 7.507 11.177 1.00 0.00 C ATOM 1735 CG LEU A 104 5.308 6.742 11.598 1.00 0.00 C ATOM 1736 CD1 LEU A 104 5.419 5.297 11.150 1.00 0.00 C ATOM 1737 CD2 LEU A 104 5.115 6.818 13.104 1.00 0.00 C ATOM 0 H LEU A 104 5.114 9.210 10.098 1.00 0.00 H new ATOM 0 HA LEU A 104 6.356 9.100 12.622 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.656 7.432 10.094 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.424 7.015 11.613 1.00 0.00 H new ATOM 0 HG LEU A 104 4.439 7.196 11.122 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.525 4.752 11.453 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.517 5.259 10.065 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.295 4.840 11.610 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.218 6.265 13.384 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.981 6.384 13.604 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.007 7.860 13.405 1.00 0.00 H new ATOM 1749 N GLU A 105 8.195 10.071 10.103 1.00 0.00 N ATOM 1750 CA GLU A 105 9.514 10.500 9.627 1.00 0.00 C ATOM 1751 C GLU A 105 10.425 9.295 9.389 1.00 0.00 C ATOM 1752 O GLU A 105 10.854 9.037 8.263 1.00 0.00 O ATOM 1753 CB GLU A 105 10.167 11.471 10.616 1.00 0.00 C ATOM 1754 CG GLU A 105 9.390 12.760 10.812 1.00 0.00 C ATOM 1755 CD GLU A 105 9.966 13.611 11.921 1.00 0.00 C ATOM 1756 OE1 GLU A 105 11.020 14.247 11.700 1.00 0.00 O ATOM 1757 OE2 GLU A 105 9.381 13.638 13.024 1.00 0.00 O ATOM 0 H GLU A 105 7.443 10.241 9.435 1.00 0.00 H new ATOM 0 HA GLU A 105 9.372 11.020 8.680 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.277 10.974 11.580 1.00 0.00 H new ATOM 0 HB3 GLU A 105 11.170 11.712 10.265 1.00 0.00 H new ATOM 0 HG2 GLU A 105 9.392 13.328 9.882 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.350 12.525 11.040 1.00 0.00 H new ATOM 1764 N GLY A 106 10.690 8.556 10.453 1.00 0.00 N ATOM 1765 CA GLY A 106 11.546 7.394 10.383 1.00 0.00 C ATOM 1766 C GLY A 106 11.617 6.687 11.717 1.00 0.00 C ATOM 1767 O GLY A 106 12.559 5.944 11.993 1.00 0.00 O ATOM 0 H GLY A 106 10.318 8.747 11.383 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.171 6.708 9.624 1.00 0.00 H new ATOM 0 HA3 GLY A 106 12.547 7.694 10.074 1.00 0.00 H new ATOM 1771 N ALA A 107 10.599 6.906 12.541 1.00 0.00 N ATOM 1772 CA ALA A 107 10.566 6.353 13.890 1.00 0.00 C ATOM 1773 C ALA A 107 9.989 4.941 13.900 1.00 0.00 C ATOM 1774 O ALA A 107 9.666 4.404 14.953 1.00 0.00 O ATOM 1775 CB ALA A 107 9.760 7.263 14.810 1.00 0.00 C ATOM 0 H ALA A 107 9.782 7.465 12.297 1.00 0.00 H new ATOM 0 HA ALA A 107 11.591 6.295 14.255 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.742 6.841 15.815 1.00 0.00 H new ATOM 0 HB2 ALA A 107 10.221 8.250 14.840 1.00 0.00 H new ATOM 0 HB3 ALA A 107 8.740 7.349 14.434 1.00 0.00 H new ATOM 1781 N VAL A 108 9.896 4.333 12.723 1.00 0.00 N ATOM 1782 CA VAL A 108 9.328 2.995 12.589 1.00 0.00 C ATOM 1783 C VAL A 108 10.204 1.949 13.288 1.00 0.00 C ATOM 1784 O VAL A 108 9.708 0.939 13.784 1.00 0.00 O ATOM 1785 CB VAL A 108 9.132 2.619 11.098 1.00 0.00 C ATOM 1786 CG1 VAL A 108 10.461 2.593 10.356 1.00 0.00 C ATOM 1787 CG2 VAL A 108 8.409 1.285 10.962 1.00 0.00 C ATOM 0 H VAL A 108 10.208 4.747 11.844 1.00 0.00 H new ATOM 0 HA VAL A 108 8.352 3.005 13.074 1.00 0.00 H new ATOM 0 HB VAL A 108 8.510 3.389 10.642 1.00 0.00 H new ATOM 0 HG11 VAL A 108 10.290 2.326 9.313 1.00 0.00 H new ATOM 0 HG12 VAL A 108 10.926 3.578 10.407 1.00 0.00 H new ATOM 0 HG13 VAL A 108 11.120 1.856 10.816 1.00 0.00 H new ATOM 0 HG21 VAL A 108 8.284 1.045 9.906 1.00 0.00 H new ATOM 0 HG22 VAL A 108 8.994 0.503 11.445 1.00 0.00 H new ATOM 0 HG23 VAL A 108 7.430 1.352 11.437 1.00 0.00 H new ATOM 1797 N GLN A 109 11.504 2.210 13.349 1.00 0.00 N ATOM 1798 CA GLN A 109 12.434 1.281 13.978 1.00 0.00 C ATOM 1799 C GLN A 109 12.951 1.862 15.292 1.00 0.00 C ATOM 1800 O GLN A 109 13.932 1.380 15.863 1.00 0.00 O ATOM 1801 CB GLN A 109 13.599 0.969 13.028 1.00 0.00 C ATOM 1802 CG GLN A 109 14.417 -0.248 13.439 1.00 0.00 C ATOM 1803 CD GLN A 109 13.614 -1.537 13.399 1.00 0.00 C ATOM 1804 OE1 GLN A 109 13.579 -2.227 12.380 1.00 0.00 O ATOM 1805 NE2 GLN A 109 12.971 -1.873 14.505 1.00 0.00 N ATOM 0 H GLN A 109 11.937 3.053 12.972 1.00 0.00 H new ATOM 0 HA GLN A 109 11.910 0.350 14.195 1.00 0.00 H new ATOM 0 HB2 GLN A 109 13.205 0.808 12.025 1.00 0.00 H new ATOM 0 HB3 GLN A 109 14.256 1.837 12.977 1.00 0.00 H new ATOM 0 HG2 GLN A 109 15.279 -0.341 12.778 1.00 0.00 H new ATOM 0 HG3 GLN A 109 14.803 -0.097 14.447 1.00 0.00 H new ATOM 0 HE21 GLN A 109 13.025 -1.274 15.329 1.00 0.00 H new ATOM 0 HE22 GLN A 109 12.421 -2.731 14.534 1.00 0.00 H new ATOM 1814 N LYS A 110 12.280 2.894 15.777 1.00 0.00 N ATOM 1815 CA LYS A 110 12.663 3.529 17.026 1.00 0.00 C ATOM 1816 C LYS A 110 11.789 2.996 18.153 1.00 0.00 C ATOM 1817 O LYS A 110 10.572 3.171 18.144 1.00 0.00 O ATOM 1818 CB LYS A 110 12.533 5.051 16.925 1.00 0.00 C ATOM 1819 CG LYS A 110 13.274 5.660 15.740 1.00 0.00 C ATOM 1820 CD LYS A 110 14.769 5.392 15.795 1.00 0.00 C ATOM 1821 CE LYS A 110 15.475 5.919 14.554 1.00 0.00 C ATOM 1822 NZ LYS A 110 15.323 7.391 14.402 1.00 0.00 N ATOM 0 H LYS A 110 11.466 3.310 15.324 1.00 0.00 H new ATOM 0 HA LYS A 110 13.707 3.295 17.236 1.00 0.00 H new ATOM 0 HB2 LYS A 110 11.477 5.311 16.852 1.00 0.00 H new ATOM 0 HB3 LYS A 110 12.909 5.499 17.845 1.00 0.00 H new ATOM 0 HG2 LYS A 110 12.868 5.254 14.813 1.00 0.00 H new ATOM 0 HG3 LYS A 110 13.100 6.736 15.720 1.00 0.00 H new ATOM 0 HD2 LYS A 110 15.192 5.862 16.683 1.00 0.00 H new ATOM 0 HD3 LYS A 110 14.945 4.320 15.888 1.00 0.00 H new ATOM 0 HE2 LYS A 110 16.535 5.669 14.607 1.00 0.00 H new ATOM 0 HE3 LYS A 110 15.074 5.421 13.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 15.954 7.729 13.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 14.338 7.615 14.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 15.571 7.860 15.296 1.00 0.00 H new ATOM 1836 N LEU A 111 12.413 2.333 19.111 1.00 0.00 N ATOM 1837 CA LEU A 111 11.681 1.715 20.205 1.00 0.00 C ATOM 1838 C LEU A 111 11.298 2.754 21.251 1.00 0.00 C ATOM 1839 O LEU A 111 12.168 3.415 21.827 1.00 0.00 O ATOM 1840 CB LEU A 111 12.521 0.606 20.841 1.00 0.00 C ATOM 1841 CG LEU A 111 12.935 -0.519 19.889 1.00 0.00 C ATOM 1842 CD1 LEU A 111 13.824 -1.522 20.607 1.00 0.00 C ATOM 1843 CD2 LEU A 111 11.709 -1.209 19.311 1.00 0.00 C ATOM 0 H LEU A 111 13.424 2.208 19.154 1.00 0.00 H new ATOM 0 HA LEU A 111 10.766 1.278 19.805 1.00 0.00 H new ATOM 0 HB2 LEU A 111 13.421 1.051 21.266 1.00 0.00 H new ATOM 0 HB3 LEU A 111 11.958 0.173 21.668 1.00 0.00 H new ATOM 0 HG LEU A 111 13.502 -0.083 19.066 1.00 0.00 H new ATOM 0 HD11 LEU A 111 14.109 -2.315 19.916 1.00 0.00 H new ATOM 0 HD12 LEU A 111 14.720 -1.019 20.972 1.00 0.00 H new ATOM 0 HD13 LEU A 111 13.281 -1.952 21.449 1.00 0.00 H new ATOM 0 HD21 LEU A 111 12.024 -2.006 18.637 1.00 0.00 H new ATOM 0 HD22 LEU A 111 11.114 -1.632 20.120 1.00 0.00 H new ATOM 0 HD23 LEU A 111 11.109 -0.484 18.761 1.00 0.00 H new ATOM 1855 N GLU A 112 9.995 2.904 21.476 1.00 0.00 N ATOM 1856 CA GLU A 112 9.490 3.836 22.477 1.00 0.00 C ATOM 1857 C GLU A 112 9.993 3.452 23.860 1.00 0.00 C ATOM 1858 O GLU A 112 9.803 2.316 24.307 1.00 0.00 O ATOM 1859 CB GLU A 112 7.962 3.845 22.502 1.00 0.00 C ATOM 1860 CG GLU A 112 7.305 4.162 21.174 1.00 0.00 C ATOM 1861 CD GLU A 112 5.794 4.221 21.295 1.00 0.00 C ATOM 1862 OE1 GLU A 112 5.200 3.269 21.841 1.00 0.00 O ATOM 1863 OE2 GLU A 112 5.194 5.230 20.872 1.00 0.00 O ATOM 0 H GLU A 112 9.269 2.390 20.976 1.00 0.00 H new ATOM 0 HA GLU A 112 9.852 4.829 22.209 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.613 2.869 22.840 1.00 0.00 H new ATOM 0 HB3 GLU A 112 7.629 4.576 23.239 1.00 0.00 H new ATOM 0 HG2 GLU A 112 7.678 5.116 20.802 1.00 0.00 H new ATOM 0 HG3 GLU A 112 7.582 3.404 20.441 1.00 0.00 H new ATOM 1870 N HIS A 113 10.623 4.393 24.535 1.00 0.00 N ATOM 1871 CA HIS A 113 11.086 4.162 25.888 1.00 0.00 C ATOM 1872 C HIS A 113 9.936 4.311 26.867 1.00 0.00 C ATOM 1873 O HIS A 113 9.748 5.367 27.470 1.00 0.00 O ATOM 1874 CB HIS A 113 12.235 5.104 26.251 1.00 0.00 C ATOM 1875 CG HIS A 113 13.535 4.707 25.629 1.00 0.00 C ATOM 1876 ND1 HIS A 113 14.039 5.278 24.479 1.00 0.00 N ATOM 1877 CD2 HIS A 113 14.435 3.772 26.007 1.00 0.00 C ATOM 1878 CE1 HIS A 113 15.190 4.705 24.176 1.00 0.00 C ATOM 1879 NE2 HIS A 113 15.452 3.789 25.089 1.00 0.00 N ATOM 0 H HIS A 113 10.826 5.323 24.169 1.00 0.00 H new ATOM 0 HA HIS A 113 11.467 3.142 25.948 1.00 0.00 H new ATOM 0 HB2 HIS A 113 11.981 6.116 25.935 1.00 0.00 H new ATOM 0 HB3 HIS A 113 12.349 5.128 27.335 1.00 0.00 H new ATOM 0 HD2 HIS A 113 14.365 3.130 26.873 1.00 0.00 H new ATOM 0 HE1 HIS A 113 15.811 4.945 23.326 1.00 0.00 H new ATOM 0 HE2 HIS A 113 16.278 3.191 25.108 1.00 0.00 H new ATOM 1888 N HIS A 114 9.145 3.255 26.978 1.00 0.00 N ATOM 1889 CA HIS A 114 8.022 3.234 27.897 1.00 0.00 C ATOM 1890 C HIS A 114 8.518 3.110 29.326 1.00 0.00 C ATOM 1891 O HIS A 114 9.404 2.304 29.619 1.00 0.00 O ATOM 1892 CB HIS A 114 7.066 2.087 27.561 1.00 0.00 C ATOM 1893 CG HIS A 114 6.172 2.367 26.391 1.00 0.00 C ATOM 1894 ND1 HIS A 114 4.868 2.785 26.527 1.00 0.00 N ATOM 1895 CD2 HIS A 114 6.399 2.281 25.060 1.00 0.00 C ATOM 1896 CE1 HIS A 114 4.331 2.946 25.331 1.00 0.00 C ATOM 1897 NE2 HIS A 114 5.239 2.646 24.423 1.00 0.00 N ATOM 0 H HIS A 114 9.263 2.397 26.439 1.00 0.00 H new ATOM 0 HA HIS A 114 7.476 4.172 27.795 1.00 0.00 H new ATOM 0 HB2 HIS A 114 7.649 1.189 27.354 1.00 0.00 H new ATOM 0 HB3 HIS A 114 6.450 1.873 28.434 1.00 0.00 H new ATOM 0 HD2 HIS A 114 7.322 1.981 24.586 1.00 0.00 H new ATOM 0 HE1 HIS A 114 3.320 3.269 25.131 1.00 0.00 H new ATOM 0 HE2 HIS A 114 5.102 2.680 23.413 1.00 0.00 H new ATOM 1906 N HIS A 115 7.948 3.911 30.209 1.00 0.00 N ATOM 1907 CA HIS A 115 8.383 3.946 31.597 1.00 0.00 C ATOM 1908 C HIS A 115 7.967 2.669 32.309 1.00 0.00 C ATOM 1909 O HIS A 115 6.792 2.473 32.620 1.00 0.00 O ATOM 1910 CB HIS A 115 7.815 5.172 32.311 1.00 0.00 C ATOM 1911 CG HIS A 115 8.190 6.461 31.648 1.00 0.00 C ATOM 1912 ND1 HIS A 115 9.495 6.861 31.473 1.00 0.00 N ATOM 1913 CD2 HIS A 115 7.425 7.427 31.092 1.00 0.00 C ATOM 1914 CE1 HIS A 115 9.515 8.018 30.841 1.00 0.00 C ATOM 1915 NE2 HIS A 115 8.274 8.386 30.596 1.00 0.00 N ATOM 0 H HIS A 115 7.181 4.547 29.990 1.00 0.00 H new ATOM 0 HA HIS A 115 9.470 4.017 31.618 1.00 0.00 H new ATOM 0 HB2 HIS A 115 6.729 5.092 32.350 1.00 0.00 H new ATOM 0 HB3 HIS A 115 8.171 5.183 33.341 1.00 0.00 H new ATOM 0 HD2 HIS A 115 6.346 7.442 31.046 1.00 0.00 H new ATOM 0 HE1 HIS A 115 10.401 8.572 30.569 1.00 0.00 H new ATOM 0 HE2 HIS A 115 7.991 9.241 30.117 1.00 0.00 H new ATOM 1924 N HIS A 116 8.935 1.803 32.552 1.00 0.00 N ATOM 1925 CA HIS A 116 8.658 0.488 33.104 1.00 0.00 C ATOM 1926 C HIS A 116 8.494 0.531 34.613 1.00 0.00 C ATOM 1927 O HIS A 116 9.465 0.418 35.362 1.00 0.00 O ATOM 1928 CB HIS A 116 9.757 -0.505 32.722 1.00 0.00 C ATOM 1929 CG HIS A 116 9.722 -0.905 31.280 1.00 0.00 C ATOM 1930 ND1 HIS A 116 10.651 -0.485 30.354 1.00 0.00 N ATOM 1931 CD2 HIS A 116 8.856 -1.696 30.606 1.00 0.00 C ATOM 1932 CE1 HIS A 116 10.358 -1.000 29.175 1.00 0.00 C ATOM 1933 NE2 HIS A 116 9.270 -1.740 29.299 1.00 0.00 N ATOM 0 H HIS A 116 9.923 1.987 32.375 1.00 0.00 H new ATOM 0 HA HIS A 116 7.714 0.153 32.675 1.00 0.00 H new ATOM 0 HB2 HIS A 116 10.728 -0.064 32.946 1.00 0.00 H new ATOM 0 HB3 HIS A 116 9.662 -1.397 33.341 1.00 0.00 H new ATOM 0 HD2 HIS A 116 7.996 -2.201 31.021 1.00 0.00 H new ATOM 0 HE1 HIS A 116 10.914 -0.843 28.262 1.00 0.00 H new ATOM 0 HE2 HIS A 116 8.814 -2.258 28.548 1.00 0.00 H new ATOM 1942 N HIS A 117 7.262 0.729 35.051 1.00 0.00 N ATOM 1943 CA HIS A 117 6.916 0.582 36.455 1.00 0.00 C ATOM 1944 C HIS A 117 6.515 -0.862 36.689 1.00 0.00 C ATOM 1945 O HIS A 117 6.960 -1.512 37.633 1.00 0.00 O ATOM 1946 CB HIS A 117 5.766 1.517 36.847 1.00 0.00 C ATOM 1947 CG HIS A 117 6.113 2.975 36.802 1.00 0.00 C ATOM 1948 ND1 HIS A 117 6.444 3.702 37.921 1.00 0.00 N ATOM 1949 CD2 HIS A 117 6.159 3.845 35.765 1.00 0.00 C ATOM 1950 CE1 HIS A 117 6.676 4.955 37.579 1.00 0.00 C ATOM 1951 NE2 HIS A 117 6.510 5.071 36.276 1.00 0.00 N ATOM 0 H HIS A 117 6.481 0.993 34.451 1.00 0.00 H new ATOM 0 HA HIS A 117 7.775 0.849 37.070 1.00 0.00 H new ATOM 0 HB2 HIS A 117 4.923 1.336 36.181 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.436 1.265 37.855 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.957 3.617 34.729 1.00 0.00 H new ATOM 0 HE1 HIS A 117 6.955 5.752 38.253 1.00 0.00 H new ATOM 0 HE2 HIS A 117 6.623 5.929 35.737 1.00 0.00 H new ATOM 1960 N HIS A 118 5.690 -1.358 35.782 1.00 0.00 N ATOM 1961 CA HIS A 118 5.289 -2.751 35.768 1.00 0.00 C ATOM 1962 C HIS A 118 4.954 -3.146 34.337 1.00 0.00 C ATOM 1963 O HIS A 118 3.781 -3.010 33.937 1.00 0.00 O ATOM 1964 CB HIS A 118 4.087 -2.988 36.690 1.00 0.00 C ATOM 1965 CG HIS A 118 3.637 -4.418 36.731 1.00 0.00 C ATOM 1966 ND1 HIS A 118 2.506 -4.866 36.087 1.00 0.00 N ATOM 1967 CD2 HIS A 118 4.171 -5.500 37.345 1.00 0.00 C ATOM 1968 CE1 HIS A 118 2.363 -6.159 36.302 1.00 0.00 C ATOM 1969 NE2 HIS A 118 3.360 -6.569 37.063 1.00 0.00 N ATOM 1970 OXT HIS A 118 5.881 -3.544 33.602 1.00 0.00 O ATOM 0 H HIS A 118 5.279 -0.802 35.032 1.00 0.00 H new ATOM 0 HA HIS A 118 6.108 -3.367 36.139 1.00 0.00 H new ATOM 0 HB2 HIS A 118 4.345 -2.667 37.699 1.00 0.00 H new ATOM 0 HB3 HIS A 118 3.257 -2.364 36.359 1.00 0.00 H new ATOM 0 HD2 HIS A 118 5.069 -5.518 37.945 1.00 0.00 H new ATOM 0 HE1 HIS A 118 1.565 -6.778 35.920 1.00 0.00 H new ATOM 0 HE2 HIS A 118 3.504 -7.525 37.388 1.00 0.00 H new TER 1979 HIS A 118