USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 922 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: B 11 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 35 ASN : amide:sc= -2.69 K(o=-2.4,f=-4.2!) USER MOD Set 2.2: B 1 MET N :NH3+ -135:sc= 0.295 (180deg=-0.0151) USER MOD Set 3.1: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 1 MET N :NH3+ -137:sc= 0.247 (180deg=-0.00667) USER MOD Set 4.2: B 35 ASN : amide:sc= -2.74 K(o=-2.5,f=-4.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0962 USER MOD Single : A 13 MET CE :methyl 149:sc= -0.551 (180deg=-2.87!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -160:sc= 0.623 (180deg=0.157) USER MOD Single : A 28 ASN : amide:sc= -0.386 X(o=-0.39,f=-0.11) USER MOD Single : A 29 GLN : amide:sc= -0.0304 K(o=-0.03,f=-1.4) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0698 USER MOD Single : A 43 HIS : no HD1:sc= -0.145 X(o=-0.14,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.555 K(o=-0.55,f=-1.3) USER MOD Single : A 52 GLN : amide:sc= -3.22 K(o=-3.2,f=-9.5!) USER MOD Single : A 55 LYS NZ :NH3+ -159:sc= -0.834 (180deg=-1.61!) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0.101 USER MOD Single : B 13 MET CE :methyl 147:sc= -0.533 (180deg=-2.84!) USER MOD Single : B 21 THR OG1 : rot 180:sc= 0 USER MOD Single : B 26 LYS NZ :NH3+ -161:sc= 0.604 (180deg=0.11) USER MOD Single : B 28 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.11) USER MOD Single : B 29 GLN : amide:sc= -0.0306 K(o=-0.031,f=-1.5) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 SER OG : rot 180:sc= 0.075 USER MOD Single : B 43 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.0056) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 49 GLN : amide:sc= -0.534 K(o=-0.53,f=-1.3) USER MOD Single : B 52 GLN : amide:sc= -3.17 K(o=-3.2,f=-9.4!) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.599 -10.539 -6.217 1.00 0.00 N ATOM 2 CA MET A 1 -1.313 -9.802 -4.958 1.00 0.00 C ATOM 3 C MET A 1 0.129 -10.015 -4.511 1.00 0.00 C ATOM 4 O MET A 1 0.709 -11.076 -4.739 1.00 0.00 O ATOM 5 CB MET A 1 -2.281 -10.289 -3.878 1.00 0.00 C ATOM 6 CG MET A 1 -2.097 -11.753 -3.511 1.00 0.00 C ATOM 7 SD MET A 1 -3.314 -12.826 -4.297 1.00 0.00 S ATOM 8 CE MET A 1 -2.683 -14.440 -3.846 1.00 0.00 C ATOM 0 H1 MET A 1 -2.150 -9.932 -6.857 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.704 -10.803 -6.676 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.143 -11.398 -6.000 1.00 0.00 H new ATOM 0 HA MET A 1 -1.448 -8.734 -5.128 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.151 -9.680 -2.984 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.304 -10.135 -4.222 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.096 -12.073 -3.801 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.166 -11.863 -2.429 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.331 -15.213 -4.260 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.675 -14.560 -4.243 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.659 -14.531 -2.760 1.00 0.00 H new ATOM 20 N LEU A 2 0.702 -9.000 -3.871 1.00 0.00 N ATOM 21 CA LEU A 2 2.077 -9.081 -3.390 1.00 0.00 C ATOM 22 C LEU A 2 2.131 -8.928 -1.874 1.00 0.00 C ATOM 23 O LEU A 2 1.880 -7.846 -1.342 1.00 0.00 O ATOM 24 CB LEU A 2 2.931 -7.999 -4.054 1.00 0.00 C ATOM 25 CG LEU A 2 4.417 -8.034 -3.691 1.00 0.00 C ATOM 26 CD1 LEU A 2 5.265 -7.591 -4.873 1.00 0.00 C ATOM 27 CD2 LEU A 2 4.688 -7.157 -2.478 1.00 0.00 C ATOM 0 H LEU A 2 0.237 -8.114 -3.674 1.00 0.00 H new ATOM 0 HA LEU A 2 2.474 -10.062 -3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.834 -8.094 -5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.529 -7.023 -3.783 1.00 0.00 H new ATOM 0 HG LEU A 2 4.688 -9.060 -3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 2 6.319 -7.622 -4.597 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.091 -8.259 -5.716 1.00 0.00 H new ATOM 0 HD13 LEU A 2 4.994 -6.574 -5.154 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.749 -7.193 -2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.402 -6.129 -2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.107 -7.520 -1.630 1.00 0.00 H new ATOM 39 N ILE A 3 2.466 -10.012 -1.178 1.00 0.00 N ATOM 40 CA ILE A 3 2.556 -9.978 0.277 1.00 0.00 C ATOM 41 C ILE A 3 3.997 -9.768 0.726 1.00 0.00 C ATOM 42 O ILE A 3 4.822 -10.680 0.666 1.00 0.00 O ATOM 43 CB ILE A 3 1.990 -11.265 0.915 1.00 0.00 C ATOM 44 CG1 ILE A 3 1.931 -11.123 2.438 1.00 0.00 C ATOM 45 CG2 ILE A 3 2.821 -12.477 0.522 1.00 0.00 C ATOM 46 CD1 ILE A 3 0.747 -11.831 3.065 1.00 0.00 C ATOM 0 H ILE A 3 2.678 -10.918 -1.596 1.00 0.00 H new ATOM 0 HA ILE A 3 1.951 -9.137 0.616 1.00 0.00 H new ATOM 0 HB ILE A 3 0.977 -11.415 0.541 1.00 0.00 H new ATOM 0 HG12 ILE A 3 2.851 -11.519 2.868 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.889 -10.065 2.695 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.402 -13.371 0.984 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.810 -12.590 -0.562 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.848 -12.340 0.862 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.768 -11.689 4.145 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.178 -11.419 2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.798 -12.896 2.838 1.00 0.00 H new ATOM 58 N LEU A 4 4.289 -8.556 1.182 1.00 0.00 N ATOM 59 CA LEU A 4 5.624 -8.214 1.653 1.00 0.00 C ATOM 60 C LEU A 4 5.582 -7.666 3.075 1.00 0.00 C ATOM 61 O LEU A 4 4.875 -6.696 3.354 1.00 0.00 O ATOM 62 CB LEU A 4 6.270 -7.189 0.719 1.00 0.00 C ATOM 63 CG LEU A 4 7.784 -7.332 0.548 1.00 0.00 C ATOM 64 CD1 LEU A 4 8.494 -7.101 1.874 1.00 0.00 C ATOM 65 CD2 LEU A 4 8.131 -8.703 -0.017 1.00 0.00 C ATOM 0 H LEU A 4 3.616 -7.791 1.235 1.00 0.00 H new ATOM 0 HA LEU A 4 6.222 -9.125 1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.800 -7.267 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.055 -6.190 1.097 1.00 0.00 H new ATOM 0 HG LEU A 4 8.125 -6.575 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 4 9.570 -7.207 1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.272 -6.097 2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.150 -7.834 2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.212 -8.786 -0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.778 -9.477 0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.652 -8.828 -0.988 1.00 0.00 H new ATOM 77 N THR A 5 6.337 -8.282 3.977 1.00 0.00 N ATOM 78 CA THR A 5 6.373 -7.827 5.359 1.00 0.00 C ATOM 79 C THR A 5 6.869 -6.386 5.425 1.00 0.00 C ATOM 80 O THR A 5 7.761 -5.994 4.674 1.00 0.00 O ATOM 81 CB THR A 5 7.270 -8.733 6.204 1.00 0.00 C ATOM 82 OG1 THR A 5 7.532 -9.952 5.530 1.00 0.00 O ATOM 83 CG2 THR A 5 6.670 -9.073 7.551 1.00 0.00 C ATOM 0 H THR A 5 6.927 -9.090 3.778 1.00 0.00 H new ATOM 0 HA THR A 5 5.361 -7.872 5.763 1.00 0.00 H new ATOM 0 HB THR A 5 8.188 -8.167 6.363 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.109 -10.516 6.087 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.355 -9.718 8.102 1.00 0.00 H new ATOM 0 HG22 THR A 5 6.501 -8.156 8.116 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.721 -9.590 7.407 1.00 0.00 H new ATOM 91 N ARG A 6 6.283 -5.601 6.319 1.00 0.00 N ATOM 92 CA ARG A 6 6.667 -4.205 6.468 1.00 0.00 C ATOM 93 C ARG A 6 6.574 -3.760 7.922 1.00 0.00 C ATOM 94 O ARG A 6 5.695 -4.204 8.662 1.00 0.00 O ATOM 95 CB ARG A 6 5.784 -3.316 5.591 1.00 0.00 C ATOM 96 CG ARG A 6 6.306 -3.148 4.173 1.00 0.00 C ATOM 97 CD ARG A 6 5.300 -3.639 3.144 1.00 0.00 C ATOM 98 NE ARG A 6 5.281 -2.799 1.949 1.00 0.00 N ATOM 99 CZ ARG A 6 6.154 -2.910 0.951 1.00 0.00 C ATOM 100 NH1 ARG A 6 7.123 -3.816 1.003 1.00 0.00 N ATOM 101 NH2 ARG A 6 6.060 -2.111 -0.103 1.00 0.00 N ATOM 0 H ARG A 6 5.542 -5.906 6.950 1.00 0.00 H new ATOM 0 HA ARG A 6 7.704 -4.106 6.148 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.781 -3.741 5.552 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.697 -2.334 6.056 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.531 -2.097 3.990 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.240 -3.699 4.061 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.541 -4.664 2.862 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.306 -3.657 3.590 1.00 0.00 H new ATOM 0 HE ARG A 6 4.556 -2.085 1.875 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.202 -4.433 1.812 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.789 -3.895 0.234 1.00 0.00 H new ATOM 0 HH21 ARG A 6 5.319 -1.412 -0.148 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.729 -2.196 -0.868 1.00 0.00 H new ATOM 115 N ARG A 7 7.491 -2.876 8.311 1.00 0.00 N ATOM 116 CA ARG A 7 7.546 -2.340 9.673 1.00 0.00 C ATOM 117 C ARG A 7 8.884 -1.642 9.941 1.00 0.00 C ATOM 118 O ARG A 7 9.038 -0.955 10.951 1.00 0.00 O ATOM 119 CB ARG A 7 7.330 -3.449 10.710 1.00 0.00 C ATOM 120 CG ARG A 7 7.188 -2.931 12.133 1.00 0.00 C ATOM 121 CD ARG A 7 8.460 -3.147 12.938 1.00 0.00 C ATOM 122 NE ARG A 7 8.790 -4.564 13.073 1.00 0.00 N ATOM 123 CZ ARG A 7 9.911 -5.014 13.632 1.00 0.00 C ATOM 124 NH1 ARG A 7 10.809 -4.162 14.111 1.00 0.00 N ATOM 125 NH2 ARG A 7 10.133 -6.318 13.715 1.00 0.00 N ATOM 0 H ARG A 7 8.216 -2.511 7.694 1.00 0.00 H new ATOM 0 HA ARG A 7 6.744 -1.608 9.764 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.435 -4.013 10.446 1.00 0.00 H new ATOM 0 HB3 ARG A 7 8.169 -4.144 10.667 1.00 0.00 H new ATOM 0 HG2 ARG A 7 6.947 -1.868 12.111 1.00 0.00 H new ATOM 0 HG3 ARG A 7 6.356 -3.437 12.623 1.00 0.00 H new ATOM 0 HD2 ARG A 7 9.287 -2.627 12.455 1.00 0.00 H new ATOM 0 HD3 ARG A 7 8.341 -2.707 13.928 1.00 0.00 H new ATOM 0 HE ARG A 7 8.122 -5.248 12.718 1.00 0.00 H new ATOM 0 HH11 ARG A 7 10.642 -3.158 14.052 1.00 0.00 H new ATOM 0 HH12 ARG A 7 11.667 -4.512 14.539 1.00 0.00 H new ATOM 0 HH21 ARG A 7 9.445 -6.977 13.350 1.00 0.00 H new ATOM 0 HH22 ARG A 7 10.992 -6.663 14.143 1.00 0.00 H new ATOM 139 N VAL A 8 9.845 -1.814 9.032 1.00 0.00 N ATOM 140 CA VAL A 8 11.159 -1.193 9.175 1.00 0.00 C ATOM 141 C VAL A 8 11.793 -0.875 7.818 1.00 0.00 C ATOM 142 O VAL A 8 12.918 -0.378 7.757 1.00 0.00 O ATOM 143 CB VAL A 8 12.123 -2.097 9.967 1.00 0.00 C ATOM 144 CG1 VAL A 8 13.401 -1.346 10.308 1.00 0.00 C ATOM 145 CG2 VAL A 8 11.453 -2.621 11.227 1.00 0.00 C ATOM 0 H VAL A 8 9.736 -2.379 8.189 1.00 0.00 H new ATOM 0 HA VAL A 8 10.997 -0.262 9.719 1.00 0.00 H new ATOM 0 HB VAL A 8 12.385 -2.950 9.342 1.00 0.00 H new ATOM 0 HG11 VAL A 8 14.069 -2.001 10.867 1.00 0.00 H new ATOM 0 HG12 VAL A 8 13.892 -1.026 9.389 1.00 0.00 H new ATOM 0 HG13 VAL A 8 13.159 -0.472 10.913 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.150 -3.257 11.772 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.158 -1.782 11.858 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.570 -3.200 10.956 1.00 0.00 H new ATOM 155 N GLY A 9 11.080 -1.169 6.730 1.00 0.00 N ATOM 156 CA GLY A 9 11.612 -0.911 5.404 1.00 0.00 C ATOM 157 C GLY A 9 11.289 0.482 4.896 1.00 0.00 C ATOM 158 O GLY A 9 11.043 1.397 5.682 1.00 0.00 O ATOM 0 H GLY A 9 10.147 -1.580 6.745 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.694 -1.044 5.420 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.211 -1.648 4.708 1.00 0.00 H new ATOM 162 N GLU A 10 11.297 0.641 3.575 1.00 0.00 N ATOM 163 CA GLU A 10 11.009 1.929 2.954 1.00 0.00 C ATOM 164 C GLU A 10 9.533 2.038 2.576 1.00 0.00 C ATOM 165 O GLU A 10 8.702 1.266 3.054 1.00 0.00 O ATOM 166 CB GLU A 10 11.889 2.126 1.716 1.00 0.00 C ATOM 167 CG GLU A 10 12.656 3.438 1.718 1.00 0.00 C ATOM 168 CD GLU A 10 12.978 3.927 0.319 1.00 0.00 C ATOM 169 OE1 GLU A 10 12.050 3.998 -0.513 1.00 0.00 O ATOM 170 OE2 GLU A 10 14.159 4.238 0.056 1.00 0.00 O ATOM 0 H GLU A 10 11.500 -0.108 2.914 1.00 0.00 H new ATOM 0 HA GLU A 10 11.232 2.713 3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 10 12.598 1.300 1.649 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.263 2.082 0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 10 12.071 4.196 2.238 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.583 3.312 2.277 1.00 0.00 H new ATOM 177 N THR A 11 9.214 3.005 1.719 1.00 0.00 N ATOM 178 CA THR A 11 7.838 3.222 1.281 1.00 0.00 C ATOM 179 C THR A 11 7.644 2.777 -0.165 1.00 0.00 C ATOM 180 O THR A 11 8.610 2.606 -0.909 1.00 0.00 O ATOM 181 CB THR A 11 7.473 4.701 1.420 1.00 0.00 C ATOM 182 OG1 THR A 11 8.090 5.467 0.400 1.00 0.00 O ATOM 183 CG2 THR A 11 7.882 5.297 2.751 1.00 0.00 C ATOM 0 H THR A 11 9.891 3.651 1.314 1.00 0.00 H new ATOM 0 HA THR A 11 7.183 2.624 1.914 1.00 0.00 H new ATOM 0 HB THR A 11 6.386 4.739 1.342 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.843 6.410 0.504 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.594 6.348 2.783 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.385 4.759 3.558 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.962 5.213 2.871 1.00 0.00 H new ATOM 191 N LEU A 12 6.386 2.600 -0.558 1.00 0.00 N ATOM 192 CA LEU A 12 6.057 2.184 -1.919 1.00 0.00 C ATOM 193 C LEU A 12 5.348 3.315 -2.661 1.00 0.00 C ATOM 194 O LEU A 12 4.722 4.173 -2.038 1.00 0.00 O ATOM 195 CB LEU A 12 5.198 0.907 -1.902 1.00 0.00 C ATOM 196 CG LEU A 12 3.676 1.111 -1.987 1.00 0.00 C ATOM 197 CD1 LEU A 12 3.073 0.210 -3.053 1.00 0.00 C ATOM 198 CD2 LEU A 12 3.022 0.848 -0.640 1.00 0.00 C ATOM 0 H LEU A 12 5.576 2.738 0.047 1.00 0.00 H new ATOM 0 HA LEU A 12 6.982 1.957 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.506 0.276 -2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.419 0.357 -0.987 1.00 0.00 H new ATOM 0 HG LEU A 12 3.488 2.148 -2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.996 0.369 -3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.515 0.446 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.276 -0.832 -2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.946 0.998 -0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.223 -0.178 -0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.428 1.535 0.102 1.00 0.00 H new ATOM 210 N MET A 13 5.442 3.318 -3.987 1.00 0.00 N ATOM 211 CA MET A 13 4.798 4.355 -4.782 1.00 0.00 C ATOM 212 C MET A 13 3.945 3.751 -5.891 1.00 0.00 C ATOM 213 O MET A 13 4.455 3.358 -6.939 1.00 0.00 O ATOM 214 CB MET A 13 5.849 5.288 -5.385 1.00 0.00 C ATOM 215 CG MET A 13 5.265 6.563 -5.972 1.00 0.00 C ATOM 216 SD MET A 13 5.899 6.927 -7.621 1.00 0.00 S ATOM 217 CE MET A 13 4.409 6.761 -8.600 1.00 0.00 C ATOM 0 H MET A 13 5.953 2.621 -4.528 1.00 0.00 H new ATOM 0 HA MET A 13 4.145 4.926 -4.122 1.00 0.00 H new ATOM 0 HB2 MET A 13 6.574 5.551 -4.615 1.00 0.00 H new ATOM 0 HB3 MET A 13 6.392 4.754 -6.165 1.00 0.00 H new ATOM 0 HG2 MET A 13 4.180 6.473 -6.017 1.00 0.00 H new ATOM 0 HG3 MET A 13 5.489 7.399 -5.309 1.00 0.00 H new ATOM 0 HE1 MET A 13 4.457 7.437 -9.453 1.00 0.00 H new ATOM 0 HE2 MET A 13 4.320 5.734 -8.955 1.00 0.00 H new ATOM 0 HE3 MET A 13 3.542 7.010 -7.988 1.00 0.00 H new ATOM 227 N ILE A 14 2.640 3.694 -5.653 1.00 0.00 N ATOM 228 CA ILE A 14 1.707 3.153 -6.628 1.00 0.00 C ATOM 229 C ILE A 14 0.799 4.256 -7.167 1.00 0.00 C ATOM 230 O ILE A 14 0.339 5.115 -6.415 1.00 0.00 O ATOM 231 CB ILE A 14 0.843 2.030 -6.016 1.00 0.00 C ATOM 232 CG1 ILE A 14 -0.124 1.464 -7.060 1.00 0.00 C ATOM 233 CG2 ILE A 14 0.082 2.545 -4.802 1.00 0.00 C ATOM 234 CD1 ILE A 14 0.568 0.895 -8.278 1.00 0.00 C ATOM 0 H ILE A 14 2.205 4.018 -4.789 1.00 0.00 H new ATOM 0 HA ILE A 14 2.294 2.733 -7.445 1.00 0.00 H new ATOM 0 HB ILE A 14 1.503 1.226 -5.692 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.729 0.684 -6.598 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.808 2.252 -7.375 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.522 1.740 -4.383 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.790 2.896 -4.051 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.567 3.368 -5.102 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.178 0.512 -8.975 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.151 1.677 -8.764 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.231 0.085 -7.975 1.00 0.00 H new ATOM 246 N GLY A 15 0.545 4.231 -8.471 1.00 0.00 N ATOM 247 CA GLY A 15 -0.305 5.240 -9.080 1.00 0.00 C ATOM 248 C GLY A 15 0.429 6.055 -10.127 1.00 0.00 C ATOM 249 O GLY A 15 0.671 5.578 -11.236 1.00 0.00 O ATOM 0 H GLY A 15 0.911 3.532 -9.117 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.168 4.757 -9.538 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.686 5.906 -8.306 1.00 0.00 H new ATOM 253 N ASP A 16 0.784 7.288 -9.776 1.00 0.00 N ATOM 254 CA ASP A 16 1.495 8.167 -10.701 1.00 0.00 C ATOM 255 C ASP A 16 2.349 9.207 -9.969 1.00 0.00 C ATOM 256 O ASP A 16 3.002 10.033 -10.607 1.00 0.00 O ATOM 257 CB ASP A 16 0.500 8.875 -11.622 1.00 0.00 C ATOM 258 CG ASP A 16 1.061 9.106 -13.011 1.00 0.00 C ATOM 259 OD1 ASP A 16 2.278 9.364 -13.125 1.00 0.00 O ATOM 260 OD2 ASP A 16 0.283 9.030 -13.986 1.00 0.00 O ATOM 0 H ASP A 16 0.592 7.700 -8.863 1.00 0.00 H new ATOM 0 HA ASP A 16 2.166 7.542 -11.290 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.410 8.280 -11.695 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.220 9.832 -11.182 1.00 0.00 H new ATOM 265 N GLU A 17 2.350 9.164 -8.633 1.00 0.00 N ATOM 266 CA GLU A 17 3.130 10.104 -7.823 1.00 0.00 C ATOM 267 C GLU A 17 2.643 10.091 -6.375 1.00 0.00 C ATOM 268 O GLU A 17 2.178 11.105 -5.854 1.00 0.00 O ATOM 269 CB GLU A 17 3.038 11.527 -8.394 1.00 0.00 C ATOM 270 CG GLU A 17 4.334 12.015 -9.022 1.00 0.00 C ATOM 271 CD GLU A 17 4.207 13.403 -9.617 1.00 0.00 C ATOM 272 OE1 GLU A 17 4.177 14.382 -8.841 1.00 0.00 O ATOM 273 OE2 GLU A 17 4.134 13.513 -10.859 1.00 0.00 O ATOM 0 H GLU A 17 1.817 8.486 -8.088 1.00 0.00 H new ATOM 0 HA GLU A 17 4.173 9.787 -7.850 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.247 11.559 -9.143 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.750 12.212 -7.596 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.121 12.018 -8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.642 11.317 -9.800 1.00 0.00 H new ATOM 280 N VAL A 18 2.745 8.934 -5.729 1.00 0.00 N ATOM 281 CA VAL A 18 2.309 8.787 -4.355 1.00 0.00 C ATOM 282 C VAL A 18 3.484 8.450 -3.431 1.00 0.00 C ATOM 283 O VAL A 18 4.638 8.733 -3.753 1.00 0.00 O ATOM 284 CB VAL A 18 1.227 7.697 -4.255 1.00 0.00 C ATOM 285 CG1 VAL A 18 0.116 7.955 -5.261 1.00 0.00 C ATOM 286 CG2 VAL A 18 1.825 6.311 -4.456 1.00 0.00 C ATOM 0 H VAL A 18 3.128 8.084 -6.142 1.00 0.00 H new ATOM 0 HA VAL A 18 1.889 9.739 -4.032 1.00 0.00 H new ATOM 0 HB VAL A 18 0.801 7.735 -3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.640 7.175 -5.176 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.339 8.925 -5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.530 7.951 -6.269 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.038 5.561 -4.380 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.287 6.254 -5.441 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.578 6.125 -3.690 1.00 0.00 H new ATOM 296 N THR A 19 3.182 7.841 -2.286 1.00 0.00 N ATOM 297 CA THR A 19 4.201 7.459 -1.316 1.00 0.00 C ATOM 298 C THR A 19 3.538 6.909 -0.058 1.00 0.00 C ATOM 299 O THR A 19 2.960 7.659 0.726 1.00 0.00 O ATOM 300 CB THR A 19 5.093 8.654 -0.963 1.00 0.00 C ATOM 301 OG1 THR A 19 5.787 8.423 0.250 1.00 0.00 O ATOM 302 CG2 THR A 19 4.329 9.952 -0.815 1.00 0.00 C ATOM 0 H THR A 19 2.231 7.601 -2.008 1.00 0.00 H new ATOM 0 HA THR A 19 4.828 6.685 -1.759 1.00 0.00 H new ATOM 0 HB THR A 19 5.784 8.753 -1.800 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.352 9.197 0.456 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.022 10.756 -0.565 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.825 10.186 -1.752 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.589 9.850 -0.021 1.00 0.00 H new ATOM 310 N VAL A 20 3.611 5.596 0.126 1.00 0.00 N ATOM 311 CA VAL A 20 2.998 4.961 1.285 1.00 0.00 C ATOM 312 C VAL A 20 4.034 4.599 2.342 1.00 0.00 C ATOM 313 O VAL A 20 4.795 3.642 2.182 1.00 0.00 O ATOM 314 CB VAL A 20 2.226 3.689 0.890 1.00 0.00 C ATOM 315 CG1 VAL A 20 1.375 3.199 2.051 1.00 0.00 C ATOM 316 CG2 VAL A 20 1.367 3.943 -0.340 1.00 0.00 C ATOM 0 H VAL A 20 4.086 4.954 -0.509 1.00 0.00 H new ATOM 0 HA VAL A 20 2.302 5.690 1.701 1.00 0.00 H new ATOM 0 HB VAL A 20 2.948 2.911 0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.837 2.299 1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.017 2.973 2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.661 3.973 2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.830 3.032 -0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.652 4.737 -0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.003 4.242 -1.173 1.00 0.00 H new ATOM 326 N THR A 21 4.047 5.368 3.426 1.00 0.00 N ATOM 327 CA THR A 21 4.975 5.138 4.525 1.00 0.00 C ATOM 328 C THR A 21 4.382 4.149 5.521 1.00 0.00 C ATOM 329 O THR A 21 3.467 4.483 6.275 1.00 0.00 O ATOM 330 CB THR A 21 5.305 6.456 5.228 1.00 0.00 C ATOM 331 OG1 THR A 21 5.711 7.436 4.290 1.00 0.00 O ATOM 332 CG2 THR A 21 6.403 6.325 6.260 1.00 0.00 C ATOM 0 H THR A 21 3.421 6.161 3.566 1.00 0.00 H new ATOM 0 HA THR A 21 5.895 4.718 4.118 1.00 0.00 H new ATOM 0 HB THR A 21 4.386 6.751 5.735 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.916 8.272 4.758 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.587 7.296 6.720 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.099 5.612 7.026 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.315 5.973 5.778 1.00 0.00 H new ATOM 340 N VAL A 22 4.900 2.928 5.511 1.00 0.00 N ATOM 341 CA VAL A 22 4.415 1.885 6.404 1.00 0.00 C ATOM 342 C VAL A 22 5.013 2.015 7.802 1.00 0.00 C ATOM 343 O VAL A 22 5.634 1.080 8.310 1.00 0.00 O ATOM 344 CB VAL A 22 4.734 0.483 5.849 1.00 0.00 C ATOM 345 CG1 VAL A 22 3.849 0.167 4.654 1.00 0.00 C ATOM 346 CG2 VAL A 22 6.206 0.380 5.477 1.00 0.00 C ATOM 0 H VAL A 22 5.657 2.636 4.893 1.00 0.00 H new ATOM 0 HA VAL A 22 3.334 2.011 6.470 1.00 0.00 H new ATOM 0 HB VAL A 22 4.527 -0.252 6.627 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.089 -0.827 4.276 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.803 0.197 4.958 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.020 0.904 3.870 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.414 -0.616 5.087 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.442 1.124 4.716 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.818 0.558 6.361 1.00 0.00 H new ATOM 356 N LEU A 23 4.810 3.168 8.433 1.00 0.00 N ATOM 357 CA LEU A 23 5.320 3.389 9.780 1.00 0.00 C ATOM 358 C LEU A 23 4.175 3.592 10.762 1.00 0.00 C ATOM 359 O LEU A 23 3.112 4.098 10.404 1.00 0.00 O ATOM 360 CB LEU A 23 6.269 4.583 9.836 1.00 0.00 C ATOM 361 CG LEU A 23 6.904 4.823 11.210 1.00 0.00 C ATOM 362 CD1 LEU A 23 7.587 3.554 11.720 1.00 0.00 C ATOM 363 CD2 LEU A 23 7.894 5.977 11.144 1.00 0.00 C ATOM 0 H LEU A 23 4.300 3.957 8.036 1.00 0.00 H new ATOM 0 HA LEU A 23 5.880 2.498 10.063 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.062 4.436 9.103 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.724 5.479 9.540 1.00 0.00 H new ATOM 0 HG LEU A 23 6.113 5.088 11.912 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.031 3.747 12.697 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.851 2.755 11.808 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.367 3.254 11.020 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.336 6.134 12.128 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.680 5.741 10.427 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.376 6.883 10.830 1.00 0.00 H new ATOM 375 N GLY A 24 4.405 3.172 11.995 1.00 0.00 N ATOM 376 CA GLY A 24 3.400 3.275 13.032 1.00 0.00 C ATOM 377 C GLY A 24 3.227 1.940 13.714 1.00 0.00 C ATOM 378 O GLY A 24 2.183 1.299 13.600 1.00 0.00 O ATOM 0 H GLY A 24 5.284 2.755 12.300 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.693 4.030 13.761 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.452 3.599 12.601 1.00 0.00 H new ATOM 382 N VAL A 25 4.283 1.503 14.387 1.00 0.00 N ATOM 383 CA VAL A 25 4.286 0.216 15.051 1.00 0.00 C ATOM 384 C VAL A 25 3.684 0.287 16.450 1.00 0.00 C ATOM 385 O VAL A 25 4.287 0.828 17.376 1.00 0.00 O ATOM 386 CB VAL A 25 5.720 -0.345 15.145 1.00 0.00 C ATOM 387 CG1 VAL A 25 5.692 -1.850 15.362 1.00 0.00 C ATOM 388 CG2 VAL A 25 6.526 0.008 13.895 1.00 0.00 C ATOM 0 H VAL A 25 5.152 2.028 14.485 1.00 0.00 H new ATOM 0 HA VAL A 25 3.667 -0.448 14.447 1.00 0.00 H new ATOM 0 HB VAL A 25 6.210 0.115 16.003 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.713 -2.227 15.426 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.164 -2.074 16.289 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.180 -2.328 14.527 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.533 -0.398 13.985 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.040 -0.417 13.017 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.580 1.092 13.791 1.00 0.00 H new ATOM 398 N LYS A 26 2.486 -0.271 16.584 1.00 0.00 N ATOM 399 CA LYS A 26 1.779 -0.289 17.859 1.00 0.00 C ATOM 400 C LYS A 26 1.173 -1.664 18.117 1.00 0.00 C ATOM 401 O LYS A 26 0.708 -2.331 17.193 1.00 0.00 O ATOM 402 CB LYS A 26 0.683 0.778 17.873 1.00 0.00 C ATOM 403 CG LYS A 26 0.303 1.241 19.270 1.00 0.00 C ATOM 404 CD LYS A 26 -0.859 0.436 19.827 1.00 0.00 C ATOM 405 CE LYS A 26 -2.176 0.846 19.188 1.00 0.00 C ATOM 406 NZ LYS A 26 -3.135 -0.291 19.113 1.00 0.00 N ATOM 0 H LYS A 26 1.981 -0.720 15.820 1.00 0.00 H new ATOM 0 HA LYS A 26 2.495 -0.070 18.651 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.017 1.638 17.293 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.203 0.383 17.376 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.163 1.146 19.932 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.036 2.297 19.244 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.684 -0.626 19.654 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.917 0.577 20.906 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.621 1.659 19.762 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.989 1.230 18.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.859 -0.087 18.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.625 -1.159 18.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.592 -0.421 20.038 1.00 0.00 H new ATOM 420 N GLY A 27 1.184 -2.085 19.377 1.00 0.00 N ATOM 421 CA GLY A 27 0.637 -3.383 19.733 1.00 0.00 C ATOM 422 C GLY A 27 -0.785 -3.579 19.240 1.00 0.00 C ATOM 423 O GLY A 27 -1.573 -2.634 19.201 1.00 0.00 O ATOM 0 H GLY A 27 1.562 -1.551 20.159 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.272 -4.166 19.317 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.660 -3.496 20.817 1.00 0.00 H new ATOM 427 N ASN A 28 -1.109 -4.814 18.863 1.00 0.00 N ATOM 428 CA ASN A 28 -2.442 -5.149 18.367 1.00 0.00 C ATOM 429 C ASN A 28 -2.701 -4.512 17.003 1.00 0.00 C ATOM 430 O ASN A 28 -2.550 -5.162 15.968 1.00 0.00 O ATOM 431 CB ASN A 28 -3.517 -4.712 19.370 1.00 0.00 C ATOM 432 CG ASN A 28 -4.036 -5.869 20.202 1.00 0.00 C ATOM 433 OD1 ASN A 28 -4.105 -5.784 21.428 1.00 0.00 O ATOM 434 ND2 ASN A 28 -4.403 -6.958 19.538 1.00 0.00 N ATOM 0 H ASN A 28 -0.463 -5.603 18.892 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.491 -6.232 18.250 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.105 -3.949 20.031 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.347 -4.254 18.832 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.759 -7.768 20.045 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.329 -6.985 18.521 1.00 0.00 H new ATOM 441 N GLN A 29 -3.094 -3.241 17.004 1.00 0.00 N ATOM 442 CA GLN A 29 -3.374 -2.528 15.762 1.00 0.00 C ATOM 443 C GLN A 29 -2.165 -1.716 15.311 1.00 0.00 C ATOM 444 O GLN A 29 -1.619 -0.920 16.076 1.00 0.00 O ATOM 445 CB GLN A 29 -4.583 -1.607 15.938 1.00 0.00 C ATOM 446 CG GLN A 29 -5.831 -2.325 16.426 1.00 0.00 C ATOM 447 CD GLN A 29 -7.103 -1.565 16.105 1.00 0.00 C ATOM 448 OE1 GLN A 29 -7.059 -0.453 15.580 1.00 0.00 O ATOM 449 NE2 GLN A 29 -8.245 -2.164 16.421 1.00 0.00 N ATOM 0 H GLN A 29 -3.225 -2.685 17.849 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.597 -3.268 14.994 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.328 -0.818 16.646 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.802 -1.123 14.986 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.878 -3.314 15.971 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.763 -2.473 17.504 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.234 -3.087 16.855 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.134 -1.701 16.229 1.00 0.00 H new ATOM 458 N VAL A 30 -1.746 -1.928 14.067 1.00 0.00 N ATOM 459 CA VAL A 30 -0.594 -1.220 13.522 1.00 0.00 C ATOM 460 C VAL A 30 -1.026 0.037 12.776 1.00 0.00 C ATOM 461 O VAL A 30 -1.965 0.009 11.983 1.00 0.00 O ATOM 462 CB VAL A 30 0.218 -2.117 12.567 1.00 0.00 C ATOM 463 CG1 VAL A 30 1.499 -1.419 12.135 1.00 0.00 C ATOM 464 CG2 VAL A 30 0.528 -3.455 13.224 1.00 0.00 C ATOM 0 H VAL A 30 -2.186 -2.582 13.420 1.00 0.00 H new ATOM 0 HA VAL A 30 0.035 -0.941 14.367 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.383 -2.305 11.678 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.058 -2.069 11.461 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.252 -0.490 11.621 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.106 -1.198 13.013 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.102 -4.075 12.535 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.108 -3.289 14.132 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.404 -3.961 13.477 1.00 0.00 H new ATOM 474 N ARG A 31 -0.330 1.140 13.034 1.00 0.00 N ATOM 475 CA ARG A 31 -0.634 2.403 12.392 1.00 0.00 C ATOM 476 C ARG A 31 0.042 2.493 11.029 1.00 0.00 C ATOM 477 O ARG A 31 1.252 2.686 10.942 1.00 0.00 O ATOM 478 CB ARG A 31 -0.188 3.569 13.276 1.00 0.00 C ATOM 479 CG ARG A 31 -1.260 4.045 14.244 1.00 0.00 C ATOM 480 CD ARG A 31 -0.908 5.395 14.849 1.00 0.00 C ATOM 481 NE ARG A 31 -0.692 5.308 16.292 1.00 0.00 N ATOM 482 CZ ARG A 31 -1.675 5.255 17.187 1.00 0.00 C ATOM 483 NH1 ARG A 31 -2.942 5.277 16.793 1.00 0.00 N ATOM 484 NH2 ARG A 31 -1.391 5.179 18.480 1.00 0.00 N ATOM 0 H ARG A 31 0.452 1.179 13.688 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.713 2.460 12.247 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.693 3.268 13.842 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.111 4.402 12.640 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.215 4.117 13.724 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.385 3.310 15.040 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.009 5.784 14.371 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.710 6.104 14.644 1.00 0.00 H new ATOM 0 HE ARG A 31 0.269 5.287 16.633 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.166 5.335 15.800 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.692 5.236 17.484 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.419 5.161 18.788 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.145 5.138 19.166 1.00 0.00 H new ATOM 498 N ILE A 32 -0.740 2.338 9.966 1.00 0.00 N ATOM 499 CA ILE A 32 -0.201 2.392 8.613 1.00 0.00 C ATOM 500 C ILE A 32 -0.270 3.809 8.048 1.00 0.00 C ATOM 501 O ILE A 32 -1.292 4.485 8.165 1.00 0.00 O ATOM 502 CB ILE A 32 -0.954 1.424 7.680 1.00 0.00 C ATOM 503 CG1 ILE A 32 -1.105 0.056 8.355 1.00 0.00 C ATOM 504 CG2 ILE A 32 -0.226 1.291 6.351 1.00 0.00 C ATOM 505 CD1 ILE A 32 0.210 -0.660 8.573 1.00 0.00 C ATOM 0 H ILE A 32 -1.746 2.175 10.015 1.00 0.00 H new ATOM 0 HA ILE A 32 0.844 2.088 8.667 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.948 1.826 7.483 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.601 0.187 9.316 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.754 -0.572 7.744 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.772 0.604 5.704 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.163 2.268 5.871 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.779 0.906 6.524 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.026 -1.620 9.054 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.699 -0.823 7.613 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.854 -0.053 9.209 1.00 0.00 H new ATOM 517 N GLY A 33 0.829 4.256 7.442 1.00 0.00 N ATOM 518 CA GLY A 33 0.876 5.593 6.874 1.00 0.00 C ATOM 519 C GLY A 33 0.755 5.592 5.365 1.00 0.00 C ATOM 520 O GLY A 33 1.628 5.078 4.667 1.00 0.00 O ATOM 0 H GLY A 33 1.687 3.715 7.335 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.070 6.192 7.298 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.813 6.071 7.159 1.00 0.00 H new ATOM 524 N VAL A 34 -0.329 6.168 4.856 1.00 0.00 N ATOM 525 CA VAL A 34 -0.552 6.221 3.418 1.00 0.00 C ATOM 526 C VAL A 34 -0.548 7.655 2.896 1.00 0.00 C ATOM 527 O VAL A 34 -1.520 8.394 3.063 1.00 0.00 O ATOM 528 CB VAL A 34 -1.887 5.557 3.035 1.00 0.00 C ATOM 529 CG1 VAL A 34 -2.005 5.425 1.524 1.00 0.00 C ATOM 530 CG2 VAL A 34 -2.021 4.199 3.708 1.00 0.00 C ATOM 0 H VAL A 34 -1.063 6.602 5.416 1.00 0.00 H new ATOM 0 HA VAL A 34 0.272 5.675 2.959 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.700 6.192 3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.955 4.953 1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.959 6.414 1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.186 4.813 1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.971 3.745 3.425 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.202 3.554 3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.987 4.324 4.790 1.00 0.00 H new ATOM 540 N ASN A 35 0.553 8.037 2.258 1.00 0.00 N ATOM 541 CA ASN A 35 0.681 9.378 1.700 1.00 0.00 C ATOM 542 C ASN A 35 0.346 9.364 0.212 1.00 0.00 C ATOM 543 O ASN A 35 1.113 8.854 -0.605 1.00 0.00 O ATOM 544 CB ASN A 35 2.094 9.923 1.920 1.00 0.00 C ATOM 545 CG ASN A 35 2.093 11.383 2.326 1.00 0.00 C ATOM 546 OD1 ASN A 35 1.115 12.099 2.109 1.00 0.00 O ATOM 547 ND2 ASN A 35 3.192 11.834 2.919 1.00 0.00 N ATOM 0 H ASN A 35 1.367 7.439 2.115 1.00 0.00 H new ATOM 0 HA ASN A 35 -0.023 10.033 2.213 1.00 0.00 H new ATOM 0 HB2 ASN A 35 2.592 9.335 2.691 1.00 0.00 H new ATOM 0 HB3 ASN A 35 2.673 9.804 1.004 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.249 12.809 3.214 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.979 11.206 3.079 1.00 0.00 H new ATOM 554 N ALA A 36 -0.813 9.917 -0.126 1.00 0.00 N ATOM 555 CA ALA A 36 -1.264 9.959 -1.512 1.00 0.00 C ATOM 556 C ALA A 36 -1.651 11.372 -1.939 1.00 0.00 C ATOM 557 O ALA A 36 -2.098 12.179 -1.124 1.00 0.00 O ATOM 558 CB ALA A 36 -2.435 9.008 -1.711 1.00 0.00 C ATOM 0 H ALA A 36 -1.457 10.342 0.540 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.432 9.642 -2.141 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.764 9.048 -2.750 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.124 7.992 -1.467 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.257 9.302 -1.059 1.00 0.00 H new ATOM 564 N PRO A 37 -1.485 11.685 -3.237 1.00 0.00 N ATOM 565 CA PRO A 37 -1.816 12.997 -3.790 1.00 0.00 C ATOM 566 C PRO A 37 -3.294 13.117 -4.142 1.00 0.00 C ATOM 567 O PRO A 37 -3.969 12.114 -4.374 1.00 0.00 O ATOM 568 CB PRO A 37 -0.962 13.048 -5.052 1.00 0.00 C ATOM 569 CG PRO A 37 -0.912 11.633 -5.517 1.00 0.00 C ATOM 570 CD PRO A 37 -0.959 10.776 -4.275 1.00 0.00 C ATOM 0 HA PRO A 37 -1.627 13.808 -3.087 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.404 13.700 -5.806 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.036 13.434 -4.842 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.752 11.410 -6.175 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.002 11.443 -6.086 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.605 9.909 -4.412 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.029 10.399 -4.012 1.00 0.00 H new ATOM 578 N LYS A 38 -3.792 14.347 -4.184 1.00 0.00 N ATOM 579 CA LYS A 38 -5.192 14.592 -4.511 1.00 0.00 C ATOM 580 C LYS A 38 -5.386 14.780 -6.015 1.00 0.00 C ATOM 581 O LYS A 38 -6.389 15.345 -6.450 1.00 0.00 O ATOM 582 CB LYS A 38 -5.702 15.825 -3.763 1.00 0.00 C ATOM 583 CG LYS A 38 -4.948 17.100 -4.108 1.00 0.00 C ATOM 584 CD LYS A 38 -5.778 18.019 -4.991 1.00 0.00 C ATOM 585 CE LYS A 38 -4.897 18.885 -5.878 1.00 0.00 C ATOM 586 NZ LYS A 38 -4.651 20.225 -5.278 1.00 0.00 N ATOM 0 H LYS A 38 -3.248 15.189 -3.996 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.765 13.719 -4.200 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.759 15.965 -3.989 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.626 15.646 -2.690 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.677 17.623 -3.191 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.018 16.847 -4.617 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.447 17.423 -5.612 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.405 18.656 -4.367 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.945 18.382 -6.045 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.370 19.005 -6.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.047 20.784 -5.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.558 20.716 -5.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.177 20.112 -4.359 1.00 0.00 H new ATOM 600 N GLU A 39 -4.426 14.308 -6.808 1.00 0.00 N ATOM 601 CA GLU A 39 -4.506 14.434 -8.259 1.00 0.00 C ATOM 602 C GLU A 39 -4.797 13.085 -8.912 1.00 0.00 C ATOM 603 O GLU A 39 -5.555 13.006 -9.879 1.00 0.00 O ATOM 604 CB GLU A 39 -3.203 15.010 -8.813 1.00 0.00 C ATOM 605 CG GLU A 39 -3.400 15.898 -10.031 1.00 0.00 C ATOM 606 CD GLU A 39 -2.366 15.646 -11.111 1.00 0.00 C ATOM 607 OE1 GLU A 39 -2.055 14.464 -11.371 1.00 0.00 O ATOM 608 OE2 GLU A 39 -1.866 16.629 -11.696 1.00 0.00 O ATOM 0 H GLU A 39 -3.587 13.837 -6.470 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.326 15.113 -8.493 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.708 15.585 -8.031 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.536 14.189 -9.076 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.396 15.730 -10.441 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.353 16.943 -9.725 1.00 0.00 H new ATOM 615 N VAL A 40 -4.191 12.027 -8.381 1.00 0.00 N ATOM 616 CA VAL A 40 -4.391 10.685 -8.920 1.00 0.00 C ATOM 617 C VAL A 40 -5.698 10.084 -8.415 1.00 0.00 C ATOM 618 O VAL A 40 -6.118 10.343 -7.287 1.00 0.00 O ATOM 619 CB VAL A 40 -3.226 9.743 -8.553 1.00 0.00 C ATOM 620 CG1 VAL A 40 -3.309 8.455 -9.358 1.00 0.00 C ATOM 621 CG2 VAL A 40 -1.885 10.434 -8.772 1.00 0.00 C ATOM 0 H VAL A 40 -3.560 12.072 -7.581 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.431 10.784 -10.005 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.307 9.491 -7.496 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.479 7.802 -9.086 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.252 7.952 -9.144 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.255 8.687 -10.422 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.077 9.752 -8.507 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.790 10.720 -9.819 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.828 11.325 -8.146 1.00 0.00 H new ATOM 631 N SER A 41 -6.341 9.283 -9.259 1.00 0.00 N ATOM 632 CA SER A 41 -7.605 8.648 -8.902 1.00 0.00 C ATOM 633 C SER A 41 -7.457 7.798 -7.643 1.00 0.00 C ATOM 634 O SER A 41 -6.871 6.717 -7.677 1.00 0.00 O ATOM 635 CB SER A 41 -8.109 7.782 -10.057 1.00 0.00 C ATOM 636 OG SER A 41 -7.631 8.264 -11.302 1.00 0.00 O ATOM 0 H SER A 41 -6.007 9.058 -10.196 1.00 0.00 H new ATOM 0 HA SER A 41 -8.331 9.436 -8.701 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.783 6.752 -9.913 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.199 7.774 -10.061 1.00 0.00 H new ATOM 0 HG SER A 41 -7.966 7.692 -12.024 1.00 0.00 H new ATOM 642 N VAL A 42 -7.998 8.294 -6.535 1.00 0.00 N ATOM 643 CA VAL A 42 -7.933 7.581 -5.265 1.00 0.00 C ATOM 644 C VAL A 42 -9.334 7.320 -4.715 1.00 0.00 C ATOM 645 O VAL A 42 -10.104 8.254 -4.492 1.00 0.00 O ATOM 646 CB VAL A 42 -7.118 8.367 -4.218 1.00 0.00 C ATOM 647 CG1 VAL A 42 -7.761 9.718 -3.937 1.00 0.00 C ATOM 648 CG2 VAL A 42 -6.970 7.559 -2.935 1.00 0.00 C ATOM 0 H VAL A 42 -8.487 9.188 -6.491 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.436 6.630 -5.458 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.122 8.545 -4.624 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.170 10.255 -3.196 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.803 10.299 -4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.771 9.568 -3.556 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.392 8.131 -2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.957 7.344 -2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.455 6.623 -3.152 1.00 0.00 H new ATOM 658 N HIS A 43 -9.658 6.049 -4.488 1.00 0.00 N ATOM 659 CA HIS A 43 -10.961 5.675 -3.954 1.00 0.00 C ATOM 660 C HIS A 43 -10.798 4.762 -2.742 1.00 0.00 C ATOM 661 O HIS A 43 -9.983 3.840 -2.759 1.00 0.00 O ATOM 662 CB HIS A 43 -11.797 4.977 -5.029 1.00 0.00 C ATOM 663 CG HIS A 43 -13.232 5.401 -5.040 1.00 0.00 C ATOM 664 ND1 HIS A 43 -14.281 4.508 -5.107 1.00 0.00 N ATOM 665 CD2 HIS A 43 -13.794 6.632 -4.991 1.00 0.00 C ATOM 666 CE1 HIS A 43 -15.424 5.170 -5.101 1.00 0.00 C ATOM 667 NE2 HIS A 43 -15.156 6.460 -5.030 1.00 0.00 N ATOM 0 H HIS A 43 -9.034 5.262 -4.666 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.478 6.582 -3.641 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -11.359 5.180 -6.006 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -11.746 3.899 -4.874 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -13.269 7.574 -4.932 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -16.409 4.731 -5.146 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -15.849 7.209 -5.008 1.00 0.00 H new ATOM 675 N ARG A 44 -11.570 5.020 -1.692 1.00 0.00 N ATOM 676 CA ARG A 44 -11.498 4.212 -0.480 1.00 0.00 C ATOM 677 C ARG A 44 -12.606 4.597 0.494 1.00 0.00 C ATOM 678 O ARG A 44 -13.540 3.829 0.724 1.00 0.00 O ATOM 679 CB ARG A 44 -10.132 4.380 0.188 1.00 0.00 C ATOM 680 CG ARG A 44 -9.974 3.569 1.464 1.00 0.00 C ATOM 681 CD ARG A 44 -9.229 4.350 2.535 1.00 0.00 C ATOM 682 NE ARG A 44 -7.957 4.876 2.044 1.00 0.00 N ATOM 683 CZ ARG A 44 -7.087 5.539 2.802 1.00 0.00 C ATOM 684 NH1 ARG A 44 -7.346 5.758 4.085 1.00 0.00 N ATOM 685 NH2 ARG A 44 -5.954 5.983 2.276 1.00 0.00 N ATOM 0 H ARG A 44 -12.250 5.779 -1.655 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.631 3.167 -0.759 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -9.354 4.088 -0.517 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -9.976 5.434 0.416 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -10.957 3.284 1.839 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -9.436 2.646 1.245 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -9.852 5.174 2.882 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -9.047 3.704 3.394 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.722 4.726 1.063 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.216 5.418 4.495 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.675 6.267 4.661 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.749 5.816 1.291 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.287 6.491 2.857 1.00 0.00 H new ATOM 699 N GLU A 45 -12.494 5.792 1.065 1.00 0.00 N ATOM 700 CA GLU A 45 -13.486 6.280 2.015 1.00 0.00 C ATOM 701 C GLU A 45 -13.343 7.785 2.225 1.00 0.00 C ATOM 702 O GLU A 45 -12.290 8.269 2.646 1.00 0.00 O ATOM 703 CB GLU A 45 -13.347 5.549 3.351 1.00 0.00 C ATOM 704 CG GLU A 45 -14.582 5.648 4.231 1.00 0.00 C ATOM 705 CD GLU A 45 -15.669 4.673 3.823 1.00 0.00 C ATOM 706 OE1 GLU A 45 -15.348 3.679 3.139 1.00 0.00 O ATOM 707 OE2 GLU A 45 -16.841 4.903 4.188 1.00 0.00 O ATOM 0 H GLU A 45 -11.727 6.440 0.886 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.476 6.082 1.604 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.131 4.498 3.160 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.493 5.957 3.891 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.301 5.460 5.267 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.975 6.664 4.186 1.00 0.00 H new ATOM 714 N GLU A 46 -14.414 8.518 1.938 1.00 0.00 N ATOM 715 CA GLU A 46 -14.413 9.966 2.101 1.00 0.00 C ATOM 716 C GLU A 46 -14.271 10.342 3.571 1.00 0.00 C ATOM 717 O GLU A 46 -13.745 11.403 3.902 1.00 0.00 O ATOM 718 CB GLU A 46 -15.698 10.566 1.528 1.00 0.00 C ATOM 719 CG GLU A 46 -15.593 12.050 1.220 1.00 0.00 C ATOM 720 CD GLU A 46 -16.942 12.742 1.219 1.00 0.00 C ATOM 721 OE1 GLU A 46 -17.526 12.907 2.310 1.00 0.00 O ATOM 722 OE2 GLU A 46 -17.415 13.119 0.126 1.00 0.00 O ATOM 0 H GLU A 46 -15.293 8.133 1.592 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.560 10.371 1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -15.963 10.032 0.615 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -16.511 10.407 2.237 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -14.946 12.525 1.957 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -15.120 12.183 0.247 1.00 0.00 H new ATOM 729 N ILE A 47 -14.746 9.464 4.448 1.00 0.00 N ATOM 730 CA ILE A 47 -14.673 9.702 5.883 1.00 0.00 C ATOM 731 C ILE A 47 -13.238 9.591 6.389 1.00 0.00 C ATOM 732 O ILE A 47 -12.730 10.499 7.047 1.00 0.00 O ATOM 733 CB ILE A 47 -15.558 8.707 6.660 1.00 0.00 C ATOM 734 CG1 ILE A 47 -16.957 8.643 6.044 1.00 0.00 C ATOM 735 CG2 ILE A 47 -15.638 9.102 8.127 1.00 0.00 C ATOM 736 CD1 ILE A 47 -17.653 9.985 5.982 1.00 0.00 C ATOM 0 H ILE A 47 -15.186 8.581 4.189 1.00 0.00 H new ATOM 0 HA ILE A 47 -15.037 10.715 6.055 1.00 0.00 H new ATOM 0 HB ILE A 47 -15.107 7.717 6.594 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -16.883 8.235 5.036 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -17.569 7.952 6.624 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -16.266 8.390 8.662 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -14.638 9.100 8.560 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -16.068 10.100 8.212 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -18.639 9.863 5.534 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -17.759 10.387 6.990 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -17.063 10.673 5.377 1.00 0.00 H new ATOM 748 N TYR A 48 -12.590 8.471 6.084 1.00 0.00 N ATOM 749 CA TYR A 48 -11.215 8.238 6.515 1.00 0.00 C ATOM 750 C TYR A 48 -10.299 9.388 6.102 1.00 0.00 C ATOM 751 O TYR A 48 -9.449 9.821 6.878 1.00 0.00 O ATOM 752 CB TYR A 48 -10.690 6.924 5.934 1.00 0.00 C ATOM 753 CG TYR A 48 -11.010 5.714 6.782 1.00 0.00 C ATOM 754 CD1 TYR A 48 -10.717 5.697 8.140 1.00 0.00 C ATOM 755 CD2 TYR A 48 -11.602 4.587 6.224 1.00 0.00 C ATOM 756 CE1 TYR A 48 -11.005 4.592 8.918 1.00 0.00 C ATOM 757 CE2 TYR A 48 -11.894 3.479 6.997 1.00 0.00 C ATOM 758 CZ TYR A 48 -11.594 3.487 8.342 1.00 0.00 C ATOM 759 OH TYR A 48 -11.882 2.385 9.114 1.00 0.00 O ATOM 0 H TYR A 48 -12.995 7.710 5.539 1.00 0.00 H new ATOM 0 HA TYR A 48 -11.216 8.176 7.603 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.113 6.782 4.940 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.609 6.997 5.813 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.257 6.562 8.595 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.837 4.577 5.170 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.770 4.594 9.972 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -12.355 2.611 6.549 1.00 0.00 H new ATOM 0 HH TYR A 48 -12.296 1.694 8.556 1.00 0.00 H new ATOM 769 N GLN A 49 -10.467 9.872 4.876 1.00 0.00 N ATOM 770 CA GLN A 49 -9.639 10.965 4.373 1.00 0.00 C ATOM 771 C GLN A 49 -10.097 12.315 4.925 1.00 0.00 C ATOM 772 O GLN A 49 -9.290 13.091 5.436 1.00 0.00 O ATOM 773 CB GLN A 49 -9.659 10.989 2.842 1.00 0.00 C ATOM 774 CG GLN A 49 -11.043 11.194 2.249 1.00 0.00 C ATOM 775 CD GLN A 49 -11.062 11.031 0.742 1.00 0.00 C ATOM 776 OE1 GLN A 49 -10.246 10.306 0.174 1.00 0.00 O ATOM 777 NE2 GLN A 49 -11.998 11.708 0.086 1.00 0.00 N ATOM 0 H GLN A 49 -11.164 9.528 4.215 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.619 10.790 4.714 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.003 11.786 2.492 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.249 10.051 2.468 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.735 10.481 2.697 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -11.401 12.191 2.507 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -12.654 12.298 0.598 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -12.060 11.638 -0.930 1.00 0.00 H new ATOM 786 N ARG A 50 -11.393 12.594 4.804 1.00 0.00 N ATOM 787 CA ARG A 50 -11.960 13.858 5.274 1.00 0.00 C ATOM 788 C ARG A 50 -11.777 14.052 6.781 1.00 0.00 C ATOM 789 O ARG A 50 -11.976 15.152 7.296 1.00 0.00 O ATOM 790 CB ARG A 50 -13.447 13.930 4.920 1.00 0.00 C ATOM 791 CG ARG A 50 -14.040 15.323 5.058 1.00 0.00 C ATOM 792 CD ARG A 50 -13.672 16.206 3.876 1.00 0.00 C ATOM 793 NE ARG A 50 -14.816 16.974 3.389 1.00 0.00 N ATOM 794 CZ ARG A 50 -14.876 17.529 2.181 1.00 0.00 C ATOM 795 NH1 ARG A 50 -13.860 17.407 1.335 1.00 0.00 N ATOM 796 NH2 ARG A 50 -15.954 18.210 1.817 1.00 0.00 N ATOM 0 H ARG A 50 -12.073 11.960 4.383 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.420 14.660 4.772 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.585 13.586 3.895 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.998 13.244 5.563 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -15.125 15.251 5.136 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.684 15.781 5.981 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.875 16.889 4.168 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.281 15.587 3.069 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.615 17.092 4.012 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.027 16.886 1.610 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -13.912 17.835 0.410 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.737 18.308 2.463 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -16.000 18.635 0.891 1.00 0.00 H new ATOM 810 N ILE A 51 -11.403 12.989 7.488 1.00 0.00 N ATOM 811 CA ILE A 51 -11.203 13.073 8.930 1.00 0.00 C ATOM 812 C ILE A 51 -9.732 12.895 9.293 1.00 0.00 C ATOM 813 O ILE A 51 -9.153 13.721 9.997 1.00 0.00 O ATOM 814 CB ILE A 51 -12.045 12.017 9.678 1.00 0.00 C ATOM 815 CG1 ILE A 51 -13.530 12.198 9.357 1.00 0.00 C ATOM 816 CG2 ILE A 51 -11.809 12.109 11.181 1.00 0.00 C ATOM 817 CD1 ILE A 51 -14.430 11.219 10.080 1.00 0.00 C ATOM 0 H ILE A 51 -11.234 12.066 7.089 1.00 0.00 H new ATOM 0 HA ILE A 51 -11.529 14.066 9.238 1.00 0.00 H new ATOM 0 HB ILE A 51 -11.735 11.027 9.343 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -13.828 13.213 9.618 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -13.677 12.088 8.283 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.411 11.357 11.691 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -10.754 11.936 11.395 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -12.092 13.101 11.534 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -15.468 11.407 9.804 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.159 10.201 9.801 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -14.313 11.343 11.156 1.00 0.00 H new ATOM 829 N GLN A 52 -9.135 11.812 8.810 1.00 0.00 N ATOM 830 CA GLN A 52 -7.732 11.528 9.088 1.00 0.00 C ATOM 831 C GLN A 52 -6.820 12.525 8.381 1.00 0.00 C ATOM 832 O GLN A 52 -6.020 13.208 9.021 1.00 0.00 O ATOM 833 CB GLN A 52 -7.382 10.103 8.655 1.00 0.00 C ATOM 834 CG GLN A 52 -6.293 9.458 9.500 1.00 0.00 C ATOM 835 CD GLN A 52 -5.076 10.348 9.666 1.00 0.00 C ATOM 836 OE1 GLN A 52 -4.494 10.812 8.686 1.00 0.00 O ATOM 837 NE2 GLN A 52 -4.687 10.590 10.912 1.00 0.00 N ATOM 0 H GLN A 52 -9.599 11.117 8.225 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.577 11.623 10.163 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.280 9.487 8.703 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.061 10.118 7.613 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.697 9.215 10.483 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.990 8.518 9.039 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.200 10.184 11.694 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.875 11.182 11.087 1.00 0.00 H new ATOM 846 N ALA A 53 -6.940 12.604 7.059 1.00 0.00 N ATOM 847 CA ALA A 53 -6.122 13.513 6.272 1.00 0.00 C ATOM 848 C ALA A 53 -6.658 14.938 6.340 1.00 0.00 C ATOM 849 O ALA A 53 -5.895 15.903 6.286 1.00 0.00 O ATOM 850 CB ALA A 53 -6.051 13.042 4.827 1.00 0.00 C ATOM 0 H ALA A 53 -7.597 12.048 6.512 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.117 13.513 6.694 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.436 13.732 4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.611 12.045 4.790 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.055 13.011 4.405 1.00 0.00 H new ATOM 856 N GLU A 54 -7.976 15.065 6.459 1.00 0.00 N ATOM 857 CA GLU A 54 -8.612 16.374 6.535 1.00 0.00 C ATOM 858 C GLU A 54 -9.148 16.636 7.939 1.00 0.00 C ATOM 859 O GLU A 54 -9.910 15.839 8.486 1.00 0.00 O ATOM 860 CB GLU A 54 -9.740 16.479 5.506 1.00 0.00 C ATOM 861 CG GLU A 54 -9.727 17.782 4.723 1.00 0.00 C ATOM 862 CD GLU A 54 -10.353 17.644 3.349 1.00 0.00 C ATOM 863 OE1 GLU A 54 -9.769 16.941 2.498 1.00 0.00 O ATOM 864 OE2 GLU A 54 -11.428 18.240 3.124 1.00 0.00 O ATOM 0 H GLU A 54 -8.623 14.278 6.505 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.861 17.131 6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.664 15.645 4.809 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.698 16.381 6.017 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.263 18.546 5.287 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.699 18.127 4.616 1.00 0.00 H new ATOM 871 N LYS A 55 -8.731 17.758 8.516 1.00 0.00 N ATOM 872 CA LYS A 55 -9.145 18.140 9.853 1.00 0.00 C ATOM 873 C LYS A 55 -10.664 18.193 9.977 1.00 0.00 C ATOM 874 O LYS A 55 -11.283 19.222 9.703 1.00 0.00 O ATOM 875 CB LYS A 55 -8.546 19.499 10.223 1.00 0.00 C ATOM 876 CG LYS A 55 -8.885 19.951 11.634 1.00 0.00 C ATOM 877 CD LYS A 55 -8.104 21.195 12.023 1.00 0.00 C ATOM 878 CE LYS A 55 -8.862 22.464 11.666 1.00 0.00 C ATOM 879 NZ LYS A 55 -9.105 22.572 10.201 1.00 0.00 N ATOM 0 H LYS A 55 -8.099 18.423 8.069 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.777 17.380 10.543 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.462 19.450 10.117 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.902 20.248 9.515 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.954 20.154 11.705 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.665 19.148 12.337 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.903 21.179 13.094 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.138 21.192 11.517 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.815 22.478 12.194 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.297 23.332 12.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.289 23.565 9.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.268 22.235 9.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.928 21.992 9.942 1.00 0.00 H new ATOM 983 N MET B 1 0.140 13.445 4.638 1.00 0.00 N ATOM 984 CA MET B 1 0.128 11.987 4.927 1.00 0.00 C ATOM 985 C MET B 1 -1.087 11.602 5.764 1.00 0.00 C ATOM 986 O MET B 1 -1.563 12.388 6.582 1.00 0.00 O ATOM 987 CB MET B 1 1.418 11.628 5.668 1.00 0.00 C ATOM 988 CG MET B 1 1.539 12.284 7.033 1.00 0.00 C ATOM 989 SD MET B 1 2.614 13.732 7.015 1.00 0.00 S ATOM 990 CE MET B 1 2.355 14.367 8.670 1.00 0.00 C ATOM 0 H1 MET B 1 0.369 13.598 3.635 1.00 0.00 H new ATOM 0 H2 MET B 1 -0.796 13.848 4.845 1.00 0.00 H new ATOM 0 H3 MET B 1 0.856 13.911 5.232 1.00 0.00 H new ATOM 0 HA MET B 1 0.067 11.435 3.989 1.00 0.00 H new ATOM 0 HB2 MET B 1 1.469 10.546 5.789 1.00 0.00 H new ATOM 0 HB3 MET B 1 2.272 11.921 5.057 1.00 0.00 H new ATOM 0 HG2 MET B 1 0.548 12.576 7.380 1.00 0.00 H new ATOM 0 HG3 MET B 1 1.926 11.558 7.748 1.00 0.00 H new ATOM 0 HE1 MET B 1 2.955 15.266 8.813 1.00 0.00 H new ATOM 0 HE2 MET B 1 1.301 14.609 8.806 1.00 0.00 H new ATOM 0 HE3 MET B 1 2.652 13.613 9.399 1.00 0.00 H new ATOM 1002 N LEU B 2 -1.584 10.386 5.556 1.00 0.00 N ATOM 1003 CA LEU B 2 -2.742 9.899 6.295 1.00 0.00 C ATOM 1004 C LEU B 2 -2.385 8.660 7.110 1.00 0.00 C ATOM 1005 O LEU B 2 -2.137 7.591 6.552 1.00 0.00 O ATOM 1006 CB LEU B 2 -3.885 9.576 5.330 1.00 0.00 C ATOM 1007 CG LEU B 2 -5.189 9.132 5.995 1.00 0.00 C ATOM 1008 CD1 LEU B 2 -6.388 9.612 5.193 1.00 0.00 C ATOM 1009 CD2 LEU B 2 -5.218 7.619 6.149 1.00 0.00 C ATOM 0 H LEU B 2 -1.203 9.722 4.883 1.00 0.00 H new ATOM 0 HA LEU B 2 -3.062 10.683 6.981 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -4.087 10.458 4.722 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -3.555 8.790 4.651 1.00 0.00 H new ATOM 0 HG LEU B 2 -5.241 9.580 6.987 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -7.306 9.287 5.682 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -6.374 10.700 5.134 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -6.344 9.194 4.187 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -6.152 7.319 6.624 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -5.144 7.152 5.167 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -4.379 7.300 6.767 1.00 0.00 H new ATOM 1021 N ILE B 3 -2.364 8.805 8.433 1.00 0.00 N ATOM 1022 CA ILE B 3 -2.041 7.686 9.310 1.00 0.00 C ATOM 1023 C ILE B 3 -3.310 7.024 9.832 1.00 0.00 C ATOM 1024 O ILE B 3 -3.990 7.555 10.710 1.00 0.00 O ATOM 1025 CB ILE B 3 -1.152 8.125 10.494 1.00 0.00 C ATOM 1026 CG1 ILE B 3 -0.683 6.904 11.289 1.00 0.00 C ATOM 1027 CG2 ILE B 3 -1.894 9.100 11.397 1.00 0.00 C ATOM 1028 CD1 ILE B 3 0.712 7.055 11.861 1.00 0.00 C ATOM 0 H ILE B 3 -2.565 9.680 8.917 1.00 0.00 H new ATOM 0 HA ILE B 3 -1.481 6.964 8.716 1.00 0.00 H new ATOM 0 HB ILE B 3 -0.276 8.636 10.094 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -1.383 6.720 12.104 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -0.709 6.027 10.642 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -1.247 9.395 12.224 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -2.176 9.983 10.824 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -2.791 8.621 11.791 1.00 0.00 H new ATOM 0 HD11 ILE B 3 0.979 6.153 12.412 1.00 0.00 H new ATOM 0 HD12 ILE B 3 1.423 7.209 11.050 1.00 0.00 H new ATOM 0 HD13 ILE B 3 0.739 7.912 12.534 1.00 0.00 H new ATOM 1040 N LEU B 4 -3.617 5.853 9.285 1.00 0.00 N ATOM 1041 CA LEU B 4 -4.797 5.103 9.692 1.00 0.00 C ATOM 1042 C LEU B 4 -4.426 3.690 10.129 1.00 0.00 C ATOM 1043 O LEU B 4 -3.803 2.942 9.374 1.00 0.00 O ATOM 1044 CB LEU B 4 -5.811 5.045 8.547 1.00 0.00 C ATOM 1045 CG LEU B 4 -7.278 5.066 8.980 1.00 0.00 C ATOM 1046 CD1 LEU B 4 -7.607 3.833 9.808 1.00 0.00 C ATOM 1047 CD2 LEU B 4 -7.588 6.337 9.761 1.00 0.00 C ATOM 0 H LEU B 4 -3.063 5.403 8.557 1.00 0.00 H new ATOM 0 HA LEU B 4 -5.245 5.618 10.541 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -5.632 5.889 7.881 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -5.632 4.139 7.969 1.00 0.00 H new ATOM 0 HG LEU B 4 -7.901 5.055 8.086 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -8.655 3.865 10.107 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -7.426 2.937 9.214 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -6.976 3.813 10.697 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -8.636 6.334 10.060 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -6.957 6.381 10.649 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -7.393 7.206 9.133 1.00 0.00 H new ATOM 1059 N THR B 5 -4.808 3.320 11.346 1.00 0.00 N ATOM 1060 CA THR B 5 -4.510 1.987 11.850 1.00 0.00 C ATOM 1061 C THR B 5 -5.151 0.932 10.955 1.00 0.00 C ATOM 1062 O THR B 5 -6.264 1.117 10.463 1.00 0.00 O ATOM 1063 CB THR B 5 -5.003 1.830 13.289 1.00 0.00 C ATOM 1064 OG1 THR B 5 -5.282 3.093 13.867 1.00 0.00 O ATOM 1065 CG2 THR B 5 -4.006 1.126 14.184 1.00 0.00 C ATOM 0 H THR B 5 -5.319 3.918 11.995 1.00 0.00 H new ATOM 0 HA THR B 5 -3.429 1.849 11.841 1.00 0.00 H new ATOM 0 HB THR B 5 -5.905 1.222 13.222 1.00 0.00 H new ATOM 0 HG1 THR B 5 -5.597 2.969 14.787 1.00 0.00 H new ATOM 0 HG21 THR B 5 -4.415 1.046 15.191 1.00 0.00 H new ATOM 0 HG22 THR B 5 -3.807 0.128 13.793 1.00 0.00 H new ATOM 0 HG23 THR B 5 -3.078 1.696 14.214 1.00 0.00 H new ATOM 1073 N ARG B 6 -4.444 -0.170 10.742 1.00 0.00 N ATOM 1074 CA ARG B 6 -4.951 -1.244 9.899 1.00 0.00 C ATOM 1075 C ARG B 6 -4.509 -2.605 10.418 1.00 0.00 C ATOM 1076 O ARG B 6 -3.406 -2.752 10.946 1.00 0.00 O ATOM 1077 CB ARG B 6 -4.478 -1.053 8.458 1.00 0.00 C ATOM 1078 CG ARG B 6 -5.398 -0.174 7.625 1.00 0.00 C ATOM 1079 CD ARG B 6 -4.669 1.047 7.087 1.00 0.00 C ATOM 1080 NE ARG B 6 -5.100 1.393 5.735 1.00 0.00 N ATOM 1081 CZ ARG B 6 -6.198 2.094 5.463 1.00 0.00 C ATOM 1082 NH1 ARG B 6 -6.985 2.519 6.444 1.00 0.00 N ATOM 1083 NH2 ARG B 6 -6.512 2.371 4.205 1.00 0.00 N ATOM 0 H ARG B 6 -3.521 -0.343 11.140 1.00 0.00 H new ATOM 0 HA ARG B 6 -6.040 -1.208 9.925 1.00 0.00 H new ATOM 0 HB2 ARG B 6 -3.480 -0.614 8.467 1.00 0.00 H new ATOM 0 HB3 ARG B 6 -4.392 -2.029 7.981 1.00 0.00 H new ATOM 0 HG2 ARG B 6 -5.801 -0.753 6.794 1.00 0.00 H new ATOM 0 HG3 ARG B 6 -6.245 0.145 8.232 1.00 0.00 H new ATOM 0 HD2 ARG B 6 -4.843 1.894 7.750 1.00 0.00 H new ATOM 0 HD3 ARG B 6 -3.596 0.857 7.087 1.00 0.00 H new ATOM 0 HE ARG B 6 -4.525 1.079 4.953 1.00 0.00 H new ATOM 0 HH11 ARG B 6 -6.750 2.309 7.414 1.00 0.00 H new ATOM 0 HH12 ARG B 6 -7.825 3.056 6.228 1.00 0.00 H new ATOM 0 HH21 ARG B 6 -5.912 2.047 3.446 1.00 0.00 H new ATOM 0 HH22 ARG B 6 -7.353 2.908 3.996 1.00 0.00 H new ATOM 1097 N ARG B 7 -5.386 -3.594 10.252 1.00 0.00 N ATOM 1098 CA ARG B 7 -5.123 -4.968 10.689 1.00 0.00 C ATOM 1099 C ARG B 7 -6.410 -5.800 10.708 1.00 0.00 C ATOM 1100 O ARG B 7 -6.361 -7.022 10.846 1.00 0.00 O ATOM 1101 CB ARG B 7 -4.479 -4.989 12.081 1.00 0.00 C ATOM 1102 CG ARG B 7 -4.009 -6.369 12.512 1.00 0.00 C ATOM 1103 CD ARG B 7 -4.960 -6.997 13.518 1.00 0.00 C ATOM 1104 NE ARG B 7 -5.049 -6.216 14.749 1.00 0.00 N ATOM 1105 CZ ARG B 7 -5.896 -6.488 15.740 1.00 0.00 C ATOM 1106 NH1 ARG B 7 -6.726 -7.520 15.648 1.00 0.00 N ATOM 1107 NH2 ARG B 7 -5.912 -5.727 16.825 1.00 0.00 N ATOM 0 H ARG B 7 -6.298 -3.468 9.812 1.00 0.00 H new ATOM 0 HA ARG B 7 -4.431 -5.408 9.971 1.00 0.00 H new ATOM 0 HB2 ARG B 7 -3.630 -4.306 12.090 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -5.197 -4.614 12.810 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -3.925 -7.015 11.638 1.00 0.00 H new ATOM 0 HG3 ARG B 7 -3.013 -6.294 12.950 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -5.951 -7.086 13.073 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -4.624 -8.007 13.753 1.00 0.00 H new ATOM 0 HE ARG B 7 -4.426 -5.415 14.856 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -6.717 -8.109 14.815 1.00 0.00 H new ATOM 0 HH12 ARG B 7 -7.373 -7.724 16.410 1.00 0.00 H new ATOM 0 HH21 ARG B 7 -5.276 -4.933 16.901 1.00 0.00 H new ATOM 0 HH22 ARG B 7 -6.561 -5.935 17.584 1.00 0.00 H new ATOM 1121 N VAL B 8 -7.558 -5.136 10.562 1.00 0.00 N ATOM 1122 CA VAL B 8 -8.848 -5.822 10.557 1.00 0.00 C ATOM 1123 C VAL B 8 -9.877 -5.101 9.681 1.00 0.00 C ATOM 1124 O VAL B 8 -11.028 -5.528 9.593 1.00 0.00 O ATOM 1125 CB VAL B 8 -9.420 -5.950 11.981 1.00 0.00 C ATOM 1126 CG1 VAL B 8 -10.636 -6.863 11.987 1.00 0.00 C ATOM 1127 CG2 VAL B 8 -8.358 -6.459 12.942 1.00 0.00 C ATOM 0 H VAL B 8 -7.619 -4.124 10.446 1.00 0.00 H new ATOM 0 HA VAL B 8 -8.662 -6.814 10.145 1.00 0.00 H new ATOM 0 HB VAL B 8 -9.734 -4.961 12.316 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -11.027 -6.942 13.001 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -11.404 -6.450 11.333 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -10.350 -7.853 11.631 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -8.782 -6.542 13.942 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -8.009 -7.438 12.613 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -7.520 -5.762 12.960 1.00 0.00 H new ATOM 1137 N GLY B 9 -9.469 -4.003 9.042 1.00 0.00 N ATOM 1138 CA GLY B 9 -10.385 -3.253 8.201 1.00 0.00 C ATOM 1139 C GLY B 9 -10.405 -3.741 6.765 1.00 0.00 C ATOM 1140 O GLY B 9 -10.068 -4.892 6.486 1.00 0.00 O ATOM 0 H GLY B 9 -8.524 -3.623 9.093 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -11.390 -3.322 8.616 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -10.105 -2.200 8.217 1.00 0.00 H new ATOM 1144 N GLU B 10 -10.807 -2.861 5.852 1.00 0.00 N ATOM 1145 CA GLU B 10 -10.879 -3.200 4.435 1.00 0.00 C ATOM 1146 C GLU B 10 -9.599 -2.794 3.708 1.00 0.00 C ATOM 1147 O GLU B 10 -8.572 -2.537 4.336 1.00 0.00 O ATOM 1148 CB GLU B 10 -12.092 -2.521 3.791 1.00 0.00 C ATOM 1149 CG GLU B 10 -12.993 -3.480 3.031 1.00 0.00 C ATOM 1150 CD GLU B 10 -13.759 -2.799 1.914 1.00 0.00 C ATOM 1151 OE1 GLU B 10 -13.123 -2.102 1.097 1.00 0.00 O ATOM 1152 OE2 GLU B 10 -14.996 -2.962 1.858 1.00 0.00 O ATOM 0 H GLU B 10 -11.089 -1.905 6.070 1.00 0.00 H new ATOM 0 HA GLU B 10 -10.989 -4.281 4.349 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -12.675 -2.026 4.567 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -11.744 -1.745 3.109 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -12.390 -4.286 2.614 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -13.699 -3.937 3.725 1.00 0.00 H new ATOM 1159 N THR B 11 -9.666 -2.745 2.379 1.00 0.00 N ATOM 1160 CA THR B 11 -8.512 -2.378 1.564 1.00 0.00 C ATOM 1161 C THR B 11 -8.678 -0.983 0.969 1.00 0.00 C ATOM 1162 O THR B 11 -9.784 -0.443 0.922 1.00 0.00 O ATOM 1163 CB THR B 11 -8.320 -3.399 0.441 1.00 0.00 C ATOM 1164 OG1 THR B 11 -9.296 -3.220 -0.570 1.00 0.00 O ATOM 1165 CG2 THR B 11 -8.409 -4.834 0.915 1.00 0.00 C ATOM 0 H THR B 11 -10.509 -2.955 1.844 1.00 0.00 H new ATOM 0 HA THR B 11 -7.632 -2.373 2.207 1.00 0.00 H new ATOM 0 HB THR B 11 -7.315 -3.222 0.057 1.00 0.00 H new ATOM 0 HG1 THR B 11 -9.156 -3.881 -1.280 1.00 0.00 H new ATOM 0 HG21 THR B 11 -8.264 -5.506 0.069 1.00 0.00 H new ATOM 0 HG22 THR B 11 -7.637 -5.019 1.662 1.00 0.00 H new ATOM 0 HG23 THR B 11 -9.390 -5.011 1.355 1.00 0.00 H new ATOM 1173 N LEU B 12 -7.571 -0.408 0.507 1.00 0.00 N ATOM 1174 CA LEU B 12 -7.589 0.922 -0.096 1.00 0.00 C ATOM 1175 C LEU B 12 -7.274 0.830 -1.587 1.00 0.00 C ATOM 1176 O LEU B 12 -6.617 -0.112 -2.030 1.00 0.00 O ATOM 1177 CB LEU B 12 -6.599 1.855 0.624 1.00 0.00 C ATOM 1178 CG LEU B 12 -5.204 1.986 -0.011 1.00 0.00 C ATOM 1179 CD1 LEU B 12 -4.816 3.450 -0.152 1.00 0.00 C ATOM 1180 CD2 LEU B 12 -4.168 1.240 0.813 1.00 0.00 C ATOM 0 H LEU B 12 -6.649 -0.843 0.539 1.00 0.00 H new ATOM 0 HA LEU B 12 -8.588 1.345 0.015 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -7.044 2.848 0.681 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -6.477 1.501 1.648 1.00 0.00 H new ATOM 0 HG LEU B 12 -5.239 1.541 -1.005 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -3.826 3.522 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -5.542 3.959 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -4.801 3.919 0.832 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -3.188 1.345 0.347 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -4.137 1.655 1.821 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -4.435 0.184 0.863 1.00 0.00 H new ATOM 1192 N MET B 13 -7.740 1.806 -2.362 1.00 0.00 N ATOM 1193 CA MET B 13 -7.491 1.807 -3.796 1.00 0.00 C ATOM 1194 C MET B 13 -6.916 3.141 -4.256 1.00 0.00 C ATOM 1195 O MET B 13 -7.646 4.112 -4.450 1.00 0.00 O ATOM 1196 CB MET B 13 -8.783 1.509 -4.558 1.00 0.00 C ATOM 1197 CG MET B 13 -8.563 1.191 -6.029 1.00 0.00 C ATOM 1198 SD MET B 13 -9.680 2.100 -7.115 1.00 0.00 S ATOM 1199 CE MET B 13 -8.520 3.136 -8.004 1.00 0.00 C ATOM 0 H MET B 13 -8.286 2.598 -2.023 1.00 0.00 H new ATOM 0 HA MET B 13 -6.759 1.028 -4.008 1.00 0.00 H new ATOM 0 HB2 MET B 13 -9.288 0.667 -4.085 1.00 0.00 H new ATOM 0 HB3 MET B 13 -9.449 2.368 -4.476 1.00 0.00 H new ATOM 0 HG2 MET B 13 -7.533 1.425 -6.297 1.00 0.00 H new ATOM 0 HG3 MET B 13 -8.698 0.121 -6.189 1.00 0.00 H new ATOM 0 HE1 MET B 13 -8.879 3.295 -9.021 1.00 0.00 H new ATOM 0 HE2 MET B 13 -8.427 4.097 -7.497 1.00 0.00 H new ATOM 0 HE3 MET B 13 -7.546 2.647 -8.036 1.00 0.00 H new ATOM 1209 N ILE B 14 -5.601 3.173 -4.439 1.00 0.00 N ATOM 1210 CA ILE B 14 -4.920 4.376 -4.888 1.00 0.00 C ATOM 1211 C ILE B 14 -4.355 4.179 -6.293 1.00 0.00 C ATOM 1212 O ILE B 14 -3.818 3.118 -6.610 1.00 0.00 O ATOM 1213 CB ILE B 14 -3.778 4.768 -3.926 1.00 0.00 C ATOM 1214 CG1 ILE B 14 -3.080 6.043 -4.407 1.00 0.00 C ATOM 1215 CG2 ILE B 14 -2.778 3.626 -3.794 1.00 0.00 C ATOM 1216 CD1 ILE B 14 -4.008 7.232 -4.520 1.00 0.00 C ATOM 0 H ILE B 14 -4.985 2.375 -4.282 1.00 0.00 H new ATOM 0 HA ILE B 14 -5.655 5.181 -4.902 1.00 0.00 H new ATOM 0 HB ILE B 14 -4.208 4.965 -2.944 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -2.271 6.287 -3.718 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -2.624 5.854 -5.379 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -1.979 3.919 -3.112 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -3.284 2.743 -3.403 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.355 3.398 -4.772 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -3.447 8.100 -4.866 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -4.803 7.007 -5.231 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -4.444 7.447 -3.545 1.00 0.00 H new ATOM 1228 N GLY B 15 -4.480 5.201 -7.132 1.00 0.00 N ATOM 1229 CA GLY B 15 -3.978 5.109 -8.492 1.00 0.00 C ATOM 1230 C GLY B 15 -5.079 5.261 -9.524 1.00 0.00 C ATOM 1231 O GLY B 15 -5.560 6.368 -9.768 1.00 0.00 O ATOM 0 H GLY B 15 -4.919 6.091 -6.896 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -3.225 5.880 -8.652 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -3.484 4.147 -8.630 1.00 0.00 H new ATOM 1235 N ASP B 16 -5.480 4.148 -10.131 1.00 0.00 N ATOM 1236 CA ASP B 16 -6.533 4.169 -11.144 1.00 0.00 C ATOM 1237 C ASP B 16 -7.273 2.832 -11.236 1.00 0.00 C ATOM 1238 O ASP B 16 -8.183 2.683 -12.052 1.00 0.00 O ATOM 1239 CB ASP B 16 -5.941 4.525 -12.509 1.00 0.00 C ATOM 1240 CG ASP B 16 -6.898 5.337 -13.359 1.00 0.00 C ATOM 1241 OD1 ASP B 16 -8.120 5.093 -13.275 1.00 0.00 O ATOM 1242 OD2 ASP B 16 -6.426 6.216 -14.110 1.00 0.00 O ATOM 0 H ASP B 16 -5.094 3.223 -9.941 1.00 0.00 H new ATOM 0 HA ASP B 16 -7.256 4.928 -10.844 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -5.019 5.088 -12.366 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -5.677 3.609 -13.038 1.00 0.00 H new ATOM 1247 N GLU B 17 -6.890 1.863 -10.398 1.00 0.00 N ATOM 1248 CA GLU B 17 -7.525 0.543 -10.391 1.00 0.00 C ATOM 1249 C GLU B 17 -6.650 -0.465 -9.646 1.00 0.00 C ATOM 1250 O GLU B 17 -6.194 -1.454 -10.220 1.00 0.00 O ATOM 1251 CB GLU B 17 -7.787 0.052 -11.822 1.00 0.00 C ATOM 1252 CG GLU B 17 -9.260 0.030 -12.197 1.00 0.00 C ATOM 1253 CD GLU B 17 -9.490 -0.416 -13.628 1.00 0.00 C ATOM 1254 OE1 GLU B 17 -9.372 -1.629 -13.898 1.00 0.00 O ATOM 1255 OE2 GLU B 17 -9.789 0.449 -14.478 1.00 0.00 O ATOM 0 H GLU B 17 -6.141 1.970 -9.714 1.00 0.00 H new ATOM 0 HA GLU B 17 -8.482 0.632 -9.876 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -7.252 0.694 -12.521 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -7.377 -0.952 -11.934 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -9.793 -0.639 -11.522 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -9.682 1.026 -12.058 1.00 0.00 H new ATOM 1262 N VAL B 18 -6.412 -0.205 -8.365 1.00 0.00 N ATOM 1263 CA VAL B 18 -5.590 -1.076 -7.551 1.00 0.00 C ATOM 1264 C VAL B 18 -6.400 -1.700 -6.409 1.00 0.00 C ATOM 1265 O VAL B 18 -7.624 -1.798 -6.488 1.00 0.00 O ATOM 1266 CB VAL B 18 -4.389 -0.296 -6.983 1.00 0.00 C ATOM 1267 CG1 VAL B 18 -3.653 0.433 -8.096 1.00 0.00 C ATOM 1268 CG2 VAL B 18 -4.832 0.679 -5.901 1.00 0.00 C ATOM 0 H VAL B 18 -6.781 0.608 -7.871 1.00 0.00 H new ATOM 0 HA VAL B 18 -5.225 -1.883 -8.186 1.00 0.00 H new ATOM 0 HB VAL B 18 -3.705 -1.012 -6.528 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -2.808 0.979 -7.677 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -3.292 -0.290 -8.827 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -4.331 1.133 -8.583 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -3.964 1.216 -5.518 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -5.543 1.391 -6.321 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -5.307 0.129 -5.088 1.00 0.00 H new ATOM 1278 N THR B 19 -5.707 -2.117 -5.350 1.00 0.00 N ATOM 1279 CA THR B 19 -6.350 -2.726 -4.191 1.00 0.00 C ATOM 1280 C THR B 19 -5.292 -3.218 -3.211 1.00 0.00 C ATOM 1281 O THR B 19 -4.618 -4.215 -3.463 1.00 0.00 O ATOM 1282 CB THR B 19 -7.255 -3.887 -4.618 1.00 0.00 C ATOM 1283 OG1 THR B 19 -7.540 -4.733 -3.518 1.00 0.00 O ATOM 1284 CG2 THR B 19 -6.658 -4.744 -5.713 1.00 0.00 C ATOM 0 H THR B 19 -4.693 -2.042 -5.273 1.00 0.00 H new ATOM 0 HA THR B 19 -6.969 -1.973 -3.703 1.00 0.00 H new ATOM 0 HB THR B 19 -8.161 -3.418 -5.001 1.00 0.00 H new ATOM 0 HG1 THR B 19 -8.120 -5.467 -3.811 1.00 0.00 H new ATOM 0 HG21 THR B 19 -7.351 -5.546 -5.966 1.00 0.00 H new ATOM 0 HG22 THR B 19 -6.475 -4.131 -6.595 1.00 0.00 H new ATOM 0 HG23 THR B 19 -5.717 -5.173 -5.367 1.00 0.00 H new ATOM 1292 N VAL B 20 -5.136 -2.508 -2.100 1.00 0.00 N ATOM 1293 CA VAL B 20 -4.141 -2.877 -1.101 1.00 0.00 C ATOM 1294 C VAL B 20 -4.779 -3.565 0.100 1.00 0.00 C ATOM 1295 O VAL B 20 -5.421 -2.922 0.932 1.00 0.00 O ATOM 1296 CB VAL B 20 -3.353 -1.649 -0.609 1.00 0.00 C ATOM 1297 CG1 VAL B 20 -2.151 -2.083 0.215 1.00 0.00 C ATOM 1298 CG2 VAL B 20 -2.919 -0.785 -1.784 1.00 0.00 C ATOM 0 H VAL B 20 -5.682 -1.678 -1.869 1.00 0.00 H new ATOM 0 HA VAL B 20 -3.458 -3.571 -1.590 1.00 0.00 H new ATOM 0 HB VAL B 20 -4.006 -1.052 0.028 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -1.606 -1.202 0.555 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -2.489 -2.656 1.079 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -1.495 -2.703 -0.397 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -2.364 0.078 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -2.283 -1.369 -2.450 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -3.799 -0.444 -2.330 1.00 0.00 H new ATOM 1308 N THR B 21 -4.584 -4.878 0.182 1.00 0.00 N ATOM 1309 CA THR B 21 -5.124 -5.670 1.279 1.00 0.00 C ATOM 1310 C THR B 21 -4.149 -5.689 2.449 1.00 0.00 C ATOM 1311 O THR B 21 -3.111 -6.349 2.396 1.00 0.00 O ATOM 1312 CB THR B 21 -5.412 -7.098 0.814 1.00 0.00 C ATOM 1313 OG1 THR B 21 -6.193 -7.092 -0.368 1.00 0.00 O ATOM 1314 CG2 THR B 21 -6.146 -7.927 1.845 1.00 0.00 C ATOM 0 H THR B 21 -4.053 -5.417 -0.502 1.00 0.00 H new ATOM 0 HA THR B 21 -6.058 -5.213 1.607 1.00 0.00 H new ATOM 0 HB THR B 21 -4.434 -7.548 0.640 1.00 0.00 H new ATOM 0 HG1 THR B 21 -6.365 -8.014 -0.651 1.00 0.00 H new ATOM 0 HG21 THR B 21 -6.318 -8.929 1.451 1.00 0.00 H new ATOM 0 HG22 THR B 21 -5.547 -7.993 2.753 1.00 0.00 H new ATOM 0 HG23 THR B 21 -7.103 -7.458 2.075 1.00 0.00 H new ATOM 1322 N VAL B 22 -4.483 -4.953 3.501 1.00 0.00 N ATOM 1323 CA VAL B 22 -3.632 -4.874 4.680 1.00 0.00 C ATOM 1324 C VAL B 22 -3.822 -6.081 5.595 1.00 0.00 C ATOM 1325 O VAL B 22 -4.144 -5.931 6.774 1.00 0.00 O ATOM 1326 CB VAL B 22 -3.908 -3.588 5.482 1.00 0.00 C ATOM 1327 CG1 VAL B 22 -3.364 -2.372 4.747 1.00 0.00 C ATOM 1328 CG2 VAL B 22 -5.398 -3.436 5.750 1.00 0.00 C ATOM 0 H VAL B 22 -5.339 -4.401 3.561 1.00 0.00 H new ATOM 0 HA VAL B 22 -2.603 -4.862 4.320 1.00 0.00 H new ATOM 0 HB VAL B 22 -3.395 -3.663 6.441 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -3.569 -1.473 5.329 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -2.288 -2.480 4.612 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -3.845 -2.290 3.772 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -5.574 -2.522 6.318 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -5.935 -3.384 4.803 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -5.754 -4.293 6.322 1.00 0.00 H new ATOM 1338 N LEU B 23 -3.601 -7.277 5.057 1.00 0.00 N ATOM 1339 CA LEU B 23 -3.733 -8.493 5.850 1.00 0.00 C ATOM 1340 C LEU B 23 -2.394 -9.207 5.965 1.00 0.00 C ATOM 1341 O LEU B 23 -1.553 -9.130 5.071 1.00 0.00 O ATOM 1342 CB LEU B 23 -4.776 -9.440 5.262 1.00 0.00 C ATOM 1343 CG LEU B 23 -5.021 -10.705 6.091 1.00 0.00 C ATOM 1344 CD1 LEU B 23 -5.359 -10.348 7.538 1.00 0.00 C ATOM 1345 CD2 LEU B 23 -6.132 -11.539 5.470 1.00 0.00 C ATOM 0 H LEU B 23 -3.332 -7.429 4.085 1.00 0.00 H new ATOM 0 HA LEU B 23 -4.067 -8.196 6.844 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -5.718 -8.902 5.155 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -4.460 -9.732 4.260 1.00 0.00 H new ATOM 0 HG LEU B 23 -4.105 -11.296 6.094 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -5.529 -11.261 8.108 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -4.530 -9.794 7.979 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -6.259 -9.734 7.560 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -6.294 -12.434 6.070 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -7.051 -10.954 5.436 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -5.848 -11.828 4.458 1.00 0.00 H new ATOM 1357 N GLY B 24 -2.207 -9.883 7.087 1.00 0.00 N ATOM 1358 CA GLY B 24 -0.972 -10.591 7.351 1.00 0.00 C ATOM 1359 C GLY B 24 -0.439 -10.206 8.708 1.00 0.00 C ATOM 1360 O GLY B 24 0.604 -9.564 8.822 1.00 0.00 O ATOM 0 H GLY B 24 -2.901 -9.954 7.831 1.00 0.00 H new ATOM 0 HA2 GLY B 24 -1.144 -11.667 7.310 1.00 0.00 H new ATOM 0 HA3 GLY B 24 -0.236 -10.356 6.582 1.00 0.00 H new ATOM 1364 N VAL B 25 -1.194 -10.562 9.739 1.00 0.00 N ATOM 1365 CA VAL B 25 -0.839 -10.217 11.101 1.00 0.00 C ATOM 1366 C VAL B 25 0.119 -11.227 11.720 1.00 0.00 C ATOM 1367 O VAL B 25 -0.262 -12.351 12.046 1.00 0.00 O ATOM 1368 CB VAL B 25 -2.101 -10.111 11.982 1.00 0.00 C ATOM 1369 CG1 VAL B 25 -1.815 -9.286 13.227 1.00 0.00 C ATOM 1370 CG2 VAL B 25 -3.267 -9.515 11.193 1.00 0.00 C ATOM 0 H VAL B 25 -2.061 -11.093 9.652 1.00 0.00 H new ATOM 0 HA VAL B 25 -0.335 -9.251 11.057 1.00 0.00 H new ATOM 0 HB VAL B 25 -2.384 -11.116 12.294 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -2.717 -9.222 13.836 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -1.021 -9.760 13.803 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -1.503 -8.283 12.935 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -4.145 -9.450 11.835 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -2.998 -8.518 10.844 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -3.490 -10.151 10.337 1.00 0.00 H new ATOM 1380 N LYS B 26 1.370 -10.805 11.879 1.00 0.00 N ATOM 1381 CA LYS B 26 2.404 -11.651 12.460 1.00 0.00 C ATOM 1382 C LYS B 26 3.235 -10.866 13.469 1.00 0.00 C ATOM 1383 O LYS B 26 3.502 -9.680 13.278 1.00 0.00 O ATOM 1384 CB LYS B 26 3.309 -12.213 11.362 1.00 0.00 C ATOM 1385 CG LYS B 26 4.004 -13.507 11.751 1.00 0.00 C ATOM 1386 CD LYS B 26 5.373 -13.244 12.358 1.00 0.00 C ATOM 1387 CE LYS B 26 6.389 -12.861 11.294 1.00 0.00 C ATOM 1388 NZ LYS B 26 7.428 -11.936 11.826 1.00 0.00 N ATOM 0 H LYS B 26 1.692 -9.875 11.611 1.00 0.00 H new ATOM 0 HA LYS B 26 1.919 -12.479 12.977 1.00 0.00 H new ATOM 0 HB2 LYS B 26 2.714 -12.385 10.465 1.00 0.00 H new ATOM 0 HB3 LYS B 26 4.063 -11.468 11.107 1.00 0.00 H new ATOM 0 HG2 LYS B 26 3.387 -14.052 12.465 1.00 0.00 H new ATOM 0 HG3 LYS B 26 4.111 -14.142 10.872 1.00 0.00 H new ATOM 0 HD2 LYS B 26 5.298 -12.445 13.095 1.00 0.00 H new ATOM 0 HD3 LYS B 26 5.715 -14.134 12.886 1.00 0.00 H new ATOM 0 HE2 LYS B 26 6.867 -13.761 10.908 1.00 0.00 H new ATOM 0 HE3 LYS B 26 5.877 -12.388 10.456 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 7.898 -11.450 11.036 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 6.981 -11.233 12.448 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 8.132 -12.478 12.366 1.00 0.00 H new ATOM 1402 N GLY B 27 3.636 -11.532 14.547 1.00 0.00 N ATOM 1403 CA GLY B 27 4.428 -10.878 15.573 1.00 0.00 C ATOM 1404 C GLY B 27 5.665 -10.195 15.021 1.00 0.00 C ATOM 1405 O GLY B 27 6.278 -10.679 14.069 1.00 0.00 O ATOM 0 H GLY B 27 3.427 -12.514 14.729 1.00 0.00 H new ATOM 0 HA2 GLY B 27 3.811 -10.140 16.086 1.00 0.00 H new ATOM 0 HA3 GLY B 27 4.728 -11.615 16.318 1.00 0.00 H new ATOM 1409 N ASN B 28 6.028 -9.065 15.622 1.00 0.00 N ATOM 1410 CA ASN B 28 7.198 -8.300 15.196 1.00 0.00 C ATOM 1411 C ASN B 28 6.973 -7.664 13.825 1.00 0.00 C ATOM 1412 O ASN B 28 6.623 -6.488 13.729 1.00 0.00 O ATOM 1413 CB ASN B 28 8.445 -9.191 15.170 1.00 0.00 C ATOM 1414 CG ASN B 28 9.326 -8.988 16.388 1.00 0.00 C ATOM 1415 OD1 ASN B 28 9.729 -9.949 17.044 1.00 0.00 O ATOM 1416 ND2 ASN B 28 9.631 -7.733 16.696 1.00 0.00 N ATOM 0 H ASN B 28 5.526 -8.656 16.410 1.00 0.00 H new ATOM 0 HA ASN B 28 7.354 -7.500 15.920 1.00 0.00 H new ATOM 0 HB2 ASN B 28 8.140 -10.236 15.115 1.00 0.00 H new ATOM 0 HB3 ASN B 28 9.021 -8.979 14.269 1.00 0.00 H new ATOM 0 HD21 ASN B 28 10.221 -7.535 17.504 1.00 0.00 H new ATOM 0 HD22 ASN B 28 9.275 -6.967 16.125 1.00 0.00 H new ATOM 1423 N GLN B 29 7.179 -8.443 12.767 1.00 0.00 N ATOM 1424 CA GLN B 29 7.000 -7.944 11.407 1.00 0.00 C ATOM 1425 C GLN B 29 5.617 -8.298 10.872 1.00 0.00 C ATOM 1426 O GLN B 29 5.210 -9.460 10.894 1.00 0.00 O ATOM 1427 CB GLN B 29 8.077 -8.517 10.484 1.00 0.00 C ATOM 1428 CG GLN B 29 9.495 -8.248 10.960 1.00 0.00 C ATOM 1429 CD GLN B 29 10.512 -8.337 9.840 1.00 0.00 C ATOM 1430 OE1 GLN B 29 10.176 -8.677 8.705 1.00 0.00 O ATOM 1431 NE2 GLN B 29 11.766 -8.031 10.153 1.00 0.00 N ATOM 0 H GLN B 29 7.469 -9.419 12.825 1.00 0.00 H new ATOM 0 HA GLN B 29 7.092 -6.858 11.433 1.00 0.00 H new ATOM 0 HB2 GLN B 29 7.931 -9.593 10.394 1.00 0.00 H new ATOM 0 HB3 GLN B 29 7.951 -8.094 9.487 1.00 0.00 H new ATOM 0 HG2 GLN B 29 9.541 -7.256 11.410 1.00 0.00 H new ATOM 0 HG3 GLN B 29 9.755 -8.964 11.740 1.00 0.00 H new ATOM 0 HE21 GLN B 29 12.001 -7.754 11.106 1.00 0.00 H new ATOM 0 HE22 GLN B 29 12.494 -8.073 9.440 1.00 0.00 H new ATOM 1440 N VAL B 30 4.894 -7.287 10.399 1.00 0.00 N ATOM 1441 CA VAL B 30 3.552 -7.495 9.868 1.00 0.00 C ATOM 1442 C VAL B 30 3.585 -7.703 8.358 1.00 0.00 C ATOM 1443 O VAL B 30 4.257 -6.969 7.636 1.00 0.00 O ATOM 1444 CB VAL B 30 2.628 -6.305 10.192 1.00 0.00 C ATOM 1445 CG1 VAL B 30 1.197 -6.607 9.773 1.00 0.00 C ATOM 1446 CG2 VAL B 30 2.696 -5.961 11.673 1.00 0.00 C ATOM 0 H VAL B 30 5.214 -6.319 10.373 1.00 0.00 H new ATOM 0 HA VAL B 30 3.158 -8.391 10.347 1.00 0.00 H new ATOM 0 HB VAL B 30 2.972 -5.440 9.626 1.00 0.00 H new ATOM 0 HG11 VAL B 30 0.561 -5.754 10.010 1.00 0.00 H new ATOM 0 HG12 VAL B 30 1.164 -6.797 8.700 1.00 0.00 H new ATOM 0 HG13 VAL B 30 0.839 -7.487 10.308 1.00 0.00 H new ATOM 0 HG21 VAL B 30 2.037 -5.118 11.881 1.00 0.00 H new ATOM 0 HG22 VAL B 30 2.381 -6.823 12.262 1.00 0.00 H new ATOM 0 HG23 VAL B 30 3.719 -5.695 11.938 1.00 0.00 H new ATOM 1456 N ARG B 31 2.852 -8.706 7.888 1.00 0.00 N ATOM 1457 CA ARG B 31 2.792 -9.012 6.473 1.00 0.00 C ATOM 1458 C ARG B 31 1.752 -8.143 5.776 1.00 0.00 C ATOM 1459 O ARG B 31 0.552 -8.363 5.922 1.00 0.00 O ATOM 1460 CB ARG B 31 2.466 -10.491 6.261 1.00 0.00 C ATOM 1461 CG ARG B 31 3.696 -11.382 6.187 1.00 0.00 C ATOM 1462 CD ARG B 31 3.356 -12.762 5.645 1.00 0.00 C ATOM 1463 NE ARG B 31 3.570 -13.810 6.640 1.00 0.00 N ATOM 1464 CZ ARG B 31 4.765 -14.313 6.941 1.00 0.00 C ATOM 1465 NH1 ARG B 31 5.855 -13.866 6.328 1.00 0.00 N ATOM 1466 NH2 ARG B 31 4.871 -15.265 7.857 1.00 0.00 N ATOM 0 H ARG B 31 2.289 -9.322 8.475 1.00 0.00 H new ATOM 0 HA ARG B 31 3.769 -8.800 6.038 1.00 0.00 H new ATOM 0 HB2 ARG B 31 1.828 -10.834 7.075 1.00 0.00 H new ATOM 0 HB3 ARG B 31 1.893 -10.600 5.340 1.00 0.00 H new ATOM 0 HG2 ARG B 31 4.447 -10.915 5.549 1.00 0.00 H new ATOM 0 HG3 ARG B 31 4.136 -11.479 7.179 1.00 0.00 H new ATOM 0 HD2 ARG B 31 2.316 -12.778 5.320 1.00 0.00 H new ATOM 0 HD3 ARG B 31 3.967 -12.967 4.766 1.00 0.00 H new ATOM 0 HE ARG B 31 2.756 -14.178 7.133 1.00 0.00 H new ATOM 0 HH11 ARG B 31 5.779 -13.133 5.622 1.00 0.00 H new ATOM 0 HH12 ARG B 31 6.768 -14.255 6.563 1.00 0.00 H new ATOM 0 HH21 ARG B 31 4.037 -15.612 8.331 1.00 0.00 H new ATOM 0 HH22 ARG B 31 5.787 -15.651 8.088 1.00 0.00 H new ATOM 1480 N ILE B 32 2.215 -7.146 5.029 1.00 0.00 N ATOM 1481 CA ILE B 32 1.311 -6.243 4.326 1.00 0.00 C ATOM 1482 C ILE B 32 1.031 -6.738 2.909 1.00 0.00 C ATOM 1483 O ILE B 32 1.946 -7.132 2.186 1.00 0.00 O ATOM 1484 CB ILE B 32 1.890 -4.816 4.273 1.00 0.00 C ATOM 1485 CG1 ILE B 32 2.406 -4.406 5.657 1.00 0.00 C ATOM 1486 CG2 ILE B 32 0.840 -3.834 3.777 1.00 0.00 C ATOM 1487 CD1 ILE B 32 1.312 -4.275 6.695 1.00 0.00 C ATOM 0 H ILE B 32 3.206 -6.943 4.895 1.00 0.00 H new ATOM 0 HA ILE B 32 0.373 -6.223 4.881 1.00 0.00 H new ATOM 0 HB ILE B 32 2.726 -4.801 3.573 1.00 0.00 H new ATOM 0 HG12 ILE B 32 3.133 -5.143 5.998 1.00 0.00 H new ATOM 0 HG13 ILE B 32 2.932 -3.455 5.573 1.00 0.00 H new ATOM 0 HG21 ILE B 32 1.266 -2.831 3.746 1.00 0.00 H new ATOM 0 HG22 ILE B 32 0.516 -4.122 2.777 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -0.015 -3.844 4.452 1.00 0.00 H new ATOM 0 HD11 ILE B 32 1.749 -3.983 7.650 1.00 0.00 H new ATOM 0 HD12 ILE B 32 0.597 -3.517 6.376 1.00 0.00 H new ATOM 0 HD13 ILE B 32 0.801 -5.231 6.808 1.00 0.00 H new ATOM 1499 N GLY B 33 -0.243 -6.722 2.521 1.00 0.00 N ATOM 1500 CA GLY B 33 -0.625 -7.178 1.195 1.00 0.00 C ATOM 1501 C GLY B 33 -0.938 -6.036 0.252 1.00 0.00 C ATOM 1502 O GLY B 33 -1.897 -5.294 0.462 1.00 0.00 O ATOM 0 H GLY B 33 -1.017 -6.401 3.102 1.00 0.00 H new ATOM 0 HA2 GLY B 33 0.182 -7.779 0.776 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -1.497 -7.827 1.276 1.00 0.00 H new ATOM 1506 N VAL B 34 -0.128 -5.889 -0.791 1.00 0.00 N ATOM 1507 CA VAL B 34 -0.331 -4.822 -1.761 1.00 0.00 C ATOM 1508 C VAL B 34 -0.671 -5.369 -3.144 1.00 0.00 C ATOM 1509 O VAL B 34 0.202 -5.848 -3.869 1.00 0.00 O ATOM 1510 CB VAL B 34 0.916 -3.926 -1.875 1.00 0.00 C ATOM 1511 CG1 VAL B 34 0.618 -2.697 -2.720 1.00 0.00 C ATOM 1512 CG2 VAL B 34 1.413 -3.524 -0.494 1.00 0.00 C ATOM 0 H VAL B 34 0.671 -6.493 -0.985 1.00 0.00 H new ATOM 0 HA VAL B 34 -1.172 -4.232 -1.397 1.00 0.00 H new ATOM 0 HB VAL B 34 1.704 -4.495 -2.369 1.00 0.00 H new ATOM 0 HG11 VAL B 34 1.512 -2.077 -2.788 1.00 0.00 H new ATOM 0 HG12 VAL B 34 0.315 -3.008 -3.720 1.00 0.00 H new ATOM 0 HG13 VAL B 34 -0.186 -2.124 -2.258 1.00 0.00 H new ATOM 0 HG21 VAL B 34 2.295 -2.891 -0.595 1.00 0.00 H new ATOM 0 HG22 VAL B 34 0.630 -2.975 0.029 1.00 0.00 H new ATOM 0 HG23 VAL B 34 1.671 -4.418 0.074 1.00 0.00 H new ATOM 1522 N ASN B 35 -1.948 -5.288 -3.502 1.00 0.00 N ATOM 1523 CA ASN B 35 -2.405 -5.763 -4.802 1.00 0.00 C ATOM 1524 C ASN B 35 -2.506 -4.600 -5.783 1.00 0.00 C ATOM 1525 O ASN B 35 -3.399 -3.759 -5.679 1.00 0.00 O ATOM 1526 CB ASN B 35 -3.756 -6.470 -4.676 1.00 0.00 C ATOM 1527 CG ASN B 35 -3.832 -7.726 -5.521 1.00 0.00 C ATOM 1528 OD1 ASN B 35 -3.059 -7.902 -6.463 1.00 0.00 O ATOM 1529 ND2 ASN B 35 -4.768 -8.608 -5.189 1.00 0.00 N ATOM 0 H ASN B 35 -2.683 -4.899 -2.912 1.00 0.00 H new ATOM 0 HA ASN B 35 -1.677 -6.480 -5.181 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -3.933 -6.727 -3.632 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -4.550 -5.786 -4.975 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -4.867 -9.472 -5.723 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -5.388 -8.422 -4.400 1.00 0.00 H new ATOM 1536 N ALA B 36 -1.574 -4.556 -6.728 1.00 0.00 N ATOM 1537 CA ALA B 36 -1.544 -3.490 -7.723 1.00 0.00 C ATOM 1538 C ALA B 36 -1.483 -4.043 -9.144 1.00 0.00 C ATOM 1539 O ALA B 36 -0.934 -5.119 -9.381 1.00 0.00 O ATOM 1540 CB ALA B 36 -0.363 -2.566 -7.465 1.00 0.00 C ATOM 0 H ALA B 36 -0.829 -5.246 -6.826 1.00 0.00 H new ATOM 0 HA ALA B 36 -2.471 -2.924 -7.630 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.350 -1.774 -8.214 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -0.456 -2.126 -6.472 1.00 0.00 H new ATOM 0 HB3 ALA B 36 0.564 -3.136 -7.524 1.00 0.00 H new ATOM 1546 N PRO B 37 -2.050 -3.301 -10.112 1.00 0.00 N ATOM 1547 CA PRO B 37 -2.065 -3.701 -11.518 1.00 0.00 C ATOM 1548 C PRO B 37 -0.777 -3.322 -12.239 1.00 0.00 C ATOM 1549 O PRO B 37 -0.069 -2.405 -11.821 1.00 0.00 O ATOM 1550 CB PRO B 37 -3.240 -2.906 -12.075 1.00 0.00 C ATOM 1551 CG PRO B 37 -3.233 -1.642 -11.286 1.00 0.00 C ATOM 1552 CD PRO B 37 -2.724 -2.003 -9.911 1.00 0.00 C ATOM 0 HA PRO B 37 -2.152 -4.780 -11.645 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -3.119 -2.711 -13.141 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -4.179 -3.446 -11.954 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -2.592 -0.895 -11.754 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -4.234 -1.213 -11.230 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -2.035 -1.250 -9.530 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -3.539 -2.083 -9.191 1.00 0.00 H new ATOM 1560 N LYS B 38 -0.477 -4.029 -13.322 1.00 0.00 N ATOM 1561 CA LYS B 38 0.728 -3.759 -14.098 1.00 0.00 C ATOM 1562 C LYS B 38 0.462 -2.734 -15.200 1.00 0.00 C ATOM 1563 O LYS B 38 1.217 -2.647 -16.169 1.00 0.00 O ATOM 1564 CB LYS B 38 1.262 -5.055 -14.712 1.00 0.00 C ATOM 1565 CG LYS B 38 0.280 -5.729 -15.658 1.00 0.00 C ATOM 1566 CD LYS B 38 0.697 -5.561 -17.111 1.00 0.00 C ATOM 1567 CE LYS B 38 -0.504 -5.580 -18.042 1.00 0.00 C ATOM 1568 NZ LYS B 38 -0.745 -6.935 -18.610 1.00 0.00 N ATOM 0 H LYS B 38 -1.050 -4.792 -13.682 1.00 0.00 H new ATOM 0 HA LYS B 38 1.475 -3.345 -13.421 1.00 0.00 H new ATOM 0 HB2 LYS B 38 2.184 -4.839 -15.252 1.00 0.00 H new ATOM 0 HB3 LYS B 38 1.517 -5.749 -13.911 1.00 0.00 H new ATOM 0 HG2 LYS B 38 0.213 -6.790 -15.418 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -0.714 -5.306 -15.513 1.00 0.00 H new ATOM 0 HD2 LYS B 38 1.235 -4.621 -17.229 1.00 0.00 H new ATOM 0 HD3 LYS B 38 1.385 -6.360 -17.388 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -1.390 -5.251 -17.498 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -0.346 -4.869 -18.853 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -1.572 -6.905 -19.239 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 0.090 -7.239 -19.150 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -0.921 -7.609 -17.838 1.00 0.00 H new ATOM 1582 N GLU B 39 -0.613 -1.961 -15.054 1.00 0.00 N ATOM 1583 CA GLU B 39 -0.964 -0.951 -16.045 1.00 0.00 C ATOM 1584 C GLU B 39 -0.696 0.455 -15.516 1.00 0.00 C ATOM 1585 O GLU B 39 -0.239 1.328 -16.254 1.00 0.00 O ATOM 1586 CB GLU B 39 -2.436 -1.086 -16.441 1.00 0.00 C ATOM 1587 CG GLU B 39 -2.711 -0.731 -17.893 1.00 0.00 C ATOM 1588 CD GLU B 39 -3.966 0.103 -18.063 1.00 0.00 C ATOM 1589 OE1 GLU B 39 -4.179 1.027 -17.250 1.00 0.00 O ATOM 1590 OE2 GLU B 39 -4.736 -0.168 -19.008 1.00 0.00 O ATOM 0 H GLU B 39 -1.253 -2.016 -14.261 1.00 0.00 H new ATOM 0 HA GLU B 39 -0.340 -1.112 -16.924 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -2.760 -2.111 -16.259 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -3.037 -0.443 -15.798 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -1.859 -0.184 -18.297 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -2.807 -1.648 -18.475 1.00 0.00 H new ATOM 1597 N VAL B 40 -0.982 0.670 -14.234 1.00 0.00 N ATOM 1598 CA VAL B 40 -0.768 1.974 -13.615 1.00 0.00 C ATOM 1599 C VAL B 40 0.696 2.163 -13.232 1.00 0.00 C ATOM 1600 O VAL B 40 1.380 1.208 -12.865 1.00 0.00 O ATOM 1601 CB VAL B 40 -1.647 2.162 -12.361 1.00 0.00 C ATOM 1602 CG1 VAL B 40 -1.627 3.614 -11.909 1.00 0.00 C ATOM 1603 CG2 VAL B 40 -3.073 1.697 -12.629 1.00 0.00 C ATOM 0 H VAL B 40 -1.361 -0.039 -13.606 1.00 0.00 H new ATOM 0 HA VAL B 40 -1.050 2.723 -14.355 1.00 0.00 H new ATOM 0 HB VAL B 40 -1.237 1.549 -11.558 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -2.252 3.728 -11.023 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -0.604 3.907 -11.671 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -2.010 4.249 -12.708 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -3.676 1.838 -11.732 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -3.498 2.279 -13.447 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -3.067 0.641 -12.900 1.00 0.00 H new ATOM 1613 N SER B 41 1.173 3.400 -13.326 1.00 0.00 N ATOM 1614 CA SER B 41 2.558 3.715 -12.994 1.00 0.00 C ATOM 1615 C SER B 41 2.887 3.311 -11.561 1.00 0.00 C ATOM 1616 O SER B 41 2.463 3.965 -10.608 1.00 0.00 O ATOM 1617 CB SER B 41 2.823 5.209 -13.188 1.00 0.00 C ATOM 1618 OG SER B 41 1.954 5.760 -14.162 1.00 0.00 O ATOM 0 H SER B 41 0.620 4.202 -13.630 1.00 0.00 H new ATOM 0 HA SER B 41 3.201 3.146 -13.666 1.00 0.00 H new ATOM 0 HB2 SER B 41 2.690 5.731 -12.240 1.00 0.00 H new ATOM 0 HB3 SER B 41 3.858 5.361 -13.493 1.00 0.00 H new ATOM 0 HG SER B 41 2.143 6.716 -14.266 1.00 0.00 H new ATOM 1624 N VAL B 42 3.650 2.232 -11.416 1.00 0.00 N ATOM 1625 CA VAL B 42 4.041 1.742 -10.099 1.00 0.00 C ATOM 1626 C VAL B 42 5.562 1.687 -9.970 1.00 0.00 C ATOM 1627 O VAL B 42 6.234 1.013 -10.750 1.00 0.00 O ATOM 1628 CB VAL B 42 3.460 0.340 -9.824 1.00 0.00 C ATOM 1629 CG1 VAL B 42 3.973 -0.666 -10.844 1.00 0.00 C ATOM 1630 CG2 VAL B 42 3.789 -0.109 -8.406 1.00 0.00 C ATOM 0 H VAL B 42 4.010 1.680 -12.195 1.00 0.00 H new ATOM 0 HA VAL B 42 3.639 2.440 -9.365 1.00 0.00 H new ATOM 0 HB VAL B 42 2.376 0.395 -9.920 1.00 0.00 H new ATOM 0 HG11 VAL B 42 3.550 -1.648 -10.631 1.00 0.00 H new ATOM 0 HG12 VAL B 42 3.676 -0.353 -11.845 1.00 0.00 H new ATOM 0 HG13 VAL B 42 5.060 -0.719 -10.788 1.00 0.00 H new ATOM 0 HG21 VAL B 42 3.370 -1.100 -8.232 1.00 0.00 H new ATOM 0 HG22 VAL B 42 4.871 -0.144 -8.277 1.00 0.00 H new ATOM 0 HG23 VAL B 42 3.362 0.596 -7.693 1.00 0.00 H new ATOM 1640 N HIS B 43 6.101 2.390 -8.977 1.00 0.00 N ATOM 1641 CA HIS B 43 7.541 2.408 -8.745 1.00 0.00 C ATOM 1642 C HIS B 43 7.848 2.079 -7.288 1.00 0.00 C ATOM 1643 O HIS B 43 7.191 2.586 -6.379 1.00 0.00 O ATOM 1644 CB HIS B 43 8.121 3.776 -9.108 1.00 0.00 C ATOM 1645 CG HIS B 43 9.426 3.698 -9.838 1.00 0.00 C ATOM 1646 ND1 HIS B 43 10.521 4.469 -9.510 1.00 0.00 N ATOM 1647 CD2 HIS B 43 9.811 2.931 -10.887 1.00 0.00 C ATOM 1648 CE1 HIS B 43 11.521 4.183 -10.323 1.00 0.00 C ATOM 1649 NE2 HIS B 43 11.117 3.253 -11.168 1.00 0.00 N ATOM 0 H HIS B 43 5.561 2.954 -8.321 1.00 0.00 H new ATOM 0 HA HIS B 43 8.003 1.652 -9.380 1.00 0.00 H new ATOM 0 HB2 HIS B 43 7.401 4.315 -9.724 1.00 0.00 H new ATOM 0 HB3 HIS B 43 8.258 4.357 -8.196 1.00 0.00 H new ATOM 0 HD2 HIS B 43 9.205 2.203 -11.405 1.00 0.00 H new ATOM 0 HE1 HIS B 43 12.502 4.633 -10.301 1.00 0.00 H new ATOM 0 HE2 HIS B 43 11.683 2.840 -11.910 1.00 0.00 H new ATOM 1657 N ARG B 44 8.846 1.230 -7.065 1.00 0.00 N ATOM 1658 CA ARG B 44 9.227 0.844 -5.712 1.00 0.00 C ATOM 1659 C ARG B 44 10.504 0.011 -5.726 1.00 0.00 C ATOM 1660 O ARG B 44 11.558 0.465 -5.279 1.00 0.00 O ATOM 1661 CB ARG B 44 8.096 0.054 -5.048 1.00 0.00 C ATOM 1662 CG ARG B 44 8.415 -0.388 -3.628 1.00 0.00 C ATOM 1663 CD ARG B 44 7.908 -1.795 -3.355 1.00 0.00 C ATOM 1664 NE ARG B 44 6.491 -1.940 -3.683 1.00 0.00 N ATOM 1665 CZ ARG B 44 5.792 -3.053 -3.474 1.00 0.00 C ATOM 1666 NH1 ARG B 44 6.373 -4.120 -2.938 1.00 0.00 N ATOM 1667 NH2 ARG B 44 4.508 -3.101 -3.801 1.00 0.00 N ATOM 0 H ARG B 44 9.404 0.798 -7.801 1.00 0.00 H new ATOM 0 HA ARG B 44 9.412 1.752 -5.138 1.00 0.00 H new ATOM 0 HB2 ARG B 44 7.195 0.667 -5.035 1.00 0.00 H new ATOM 0 HB3 ARG B 44 7.875 -0.826 -5.653 1.00 0.00 H new ATOM 0 HG2 ARG B 44 9.493 -0.351 -3.468 1.00 0.00 H new ATOM 0 HG3 ARG B 44 7.963 0.306 -2.920 1.00 0.00 H new ATOM 0 HD2 ARG B 44 8.490 -2.509 -3.938 1.00 0.00 H new ATOM 0 HD3 ARG B 44 8.064 -2.039 -2.304 1.00 0.00 H new ATOM 0 HE ARG B 44 6.010 -1.141 -4.096 1.00 0.00 H new ATOM 0 HH11 ARG B 44 7.360 -4.089 -2.684 1.00 0.00 H new ATOM 0 HH12 ARG B 44 5.832 -4.970 -2.780 1.00 0.00 H new ATOM 0 HH21 ARG B 44 4.056 -2.285 -4.213 1.00 0.00 H new ATOM 0 HH22 ARG B 44 3.972 -3.954 -3.641 1.00 0.00 H new ATOM 1681 N GLU B 45 10.403 -1.209 -6.241 1.00 0.00 N ATOM 1682 CA GLU B 45 11.550 -2.106 -6.314 1.00 0.00 C ATOM 1683 C GLU B 45 11.276 -3.264 -7.269 1.00 0.00 C ATOM 1684 O GLU B 45 10.331 -4.033 -7.079 1.00 0.00 O ATOM 1685 CB GLU B 45 11.893 -2.642 -4.924 1.00 0.00 C ATOM 1686 CG GLU B 45 13.303 -3.201 -4.817 1.00 0.00 C ATOM 1687 CD GLU B 45 14.348 -2.116 -4.643 1.00 0.00 C ATOM 1688 OE1 GLU B 45 13.981 -0.999 -4.223 1.00 0.00 O ATOM 1689 OE2 GLU B 45 15.535 -2.385 -4.927 1.00 0.00 O ATOM 0 H GLU B 45 9.538 -1.600 -6.614 1.00 0.00 H new ATOM 0 HA GLU B 45 12.400 -1.540 -6.696 1.00 0.00 H new ATOM 0 HB2 GLU B 45 11.773 -1.841 -4.195 1.00 0.00 H new ATOM 0 HB3 GLU B 45 11.181 -3.423 -4.659 1.00 0.00 H new ATOM 0 HG2 GLU B 45 13.354 -3.889 -3.973 1.00 0.00 H new ATOM 0 HG3 GLU B 45 13.530 -3.779 -5.713 1.00 0.00 H new ATOM 1696 N GLU B 46 12.115 -3.386 -8.292 1.00 0.00 N ATOM 1697 CA GLU B 46 11.970 -4.453 -9.274 1.00 0.00 C ATOM 1698 C GLU B 46 12.202 -5.814 -8.628 1.00 0.00 C ATOM 1699 O GLU B 46 11.657 -6.823 -9.071 1.00 0.00 O ATOM 1700 CB GLU B 46 12.950 -4.248 -10.430 1.00 0.00 C ATOM 1701 CG GLU B 46 12.567 -5.001 -11.694 1.00 0.00 C ATOM 1702 CD GLU B 46 13.757 -5.273 -12.593 1.00 0.00 C ATOM 1703 OE1 GLU B 46 14.599 -6.118 -12.223 1.00 0.00 O ATOM 1704 OE2 GLU B 46 13.846 -4.642 -13.667 1.00 0.00 O ATOM 0 H GLU B 46 12.902 -2.760 -8.462 1.00 0.00 H new ATOM 0 HA GLU B 46 10.952 -4.423 -9.664 1.00 0.00 H new ATOM 0 HB2 GLU B 46 13.014 -3.184 -10.657 1.00 0.00 H new ATOM 0 HB3 GLU B 46 13.943 -4.567 -10.114 1.00 0.00 H new ATOM 0 HG2 GLU B 46 12.098 -5.947 -11.421 1.00 0.00 H new ATOM 0 HG3 GLU B 46 11.824 -4.424 -12.245 1.00 0.00 H new ATOM 1711 N ILE B 47 13.017 -5.832 -7.579 1.00 0.00 N ATOM 1712 CA ILE B 47 13.324 -7.067 -6.870 1.00 0.00 C ATOM 1713 C ILE B 47 12.118 -7.562 -6.076 1.00 0.00 C ATOM 1714 O ILE B 47 11.702 -8.712 -6.213 1.00 0.00 O ATOM 1715 CB ILE B 47 14.515 -6.881 -5.911 1.00 0.00 C ATOM 1716 CG1 ILE B 47 15.678 -6.195 -6.631 1.00 0.00 C ATOM 1717 CG2 ILE B 47 14.955 -8.223 -5.344 1.00 0.00 C ATOM 1718 CD1 ILE B 47 16.144 -6.933 -7.867 1.00 0.00 C ATOM 0 H ILE B 47 13.477 -5.004 -7.201 1.00 0.00 H new ATOM 0 HA ILE B 47 13.586 -7.808 -7.625 1.00 0.00 H new ATOM 0 HB ILE B 47 14.198 -6.245 -5.084 1.00 0.00 H new ATOM 0 HG12 ILE B 47 15.376 -5.186 -6.912 1.00 0.00 H new ATOM 0 HG13 ILE B 47 16.515 -6.096 -5.940 1.00 0.00 H new ATOM 0 HG21 ILE B 47 15.797 -8.074 -4.668 1.00 0.00 H new ATOM 0 HG22 ILE B 47 14.128 -8.676 -4.798 1.00 0.00 H new ATOM 0 HG23 ILE B 47 15.256 -8.881 -6.159 1.00 0.00 H new ATOM 0 HD11 ILE B 47 16.970 -6.389 -8.326 1.00 0.00 H new ATOM 0 HD12 ILE B 47 16.477 -7.933 -7.590 1.00 0.00 H new ATOM 0 HD13 ILE B 47 15.321 -7.009 -8.577 1.00 0.00 H new ATOM 1730 N TYR B 48 11.564 -6.688 -5.241 1.00 0.00 N ATOM 1731 CA TYR B 48 10.409 -7.038 -4.419 1.00 0.00 C ATOM 1732 C TYR B 48 9.271 -7.602 -5.265 1.00 0.00 C ATOM 1733 O TYR B 48 8.627 -8.577 -4.880 1.00 0.00 O ATOM 1734 CB TYR B 48 9.918 -5.816 -3.640 1.00 0.00 C ATOM 1735 CG TYR B 48 10.622 -5.617 -2.316 1.00 0.00 C ATOM 1736 CD1 TYR B 48 10.731 -6.658 -1.403 1.00 0.00 C ATOM 1737 CD2 TYR B 48 11.176 -4.388 -1.980 1.00 0.00 C ATOM 1738 CE1 TYR B 48 11.372 -6.480 -0.191 1.00 0.00 C ATOM 1739 CE2 TYR B 48 11.819 -4.203 -0.770 1.00 0.00 C ATOM 1740 CZ TYR B 48 11.914 -5.251 0.120 1.00 0.00 C ATOM 1741 OH TYR B 48 12.551 -5.070 1.325 1.00 0.00 O ATOM 0 H TYR B 48 11.896 -5.732 -5.115 1.00 0.00 H new ATOM 0 HA TYR B 48 10.727 -7.809 -3.718 1.00 0.00 H new ATOM 0 HB2 TYR B 48 10.057 -4.925 -4.253 1.00 0.00 H new ATOM 0 HB3 TYR B 48 8.847 -5.916 -3.461 1.00 0.00 H new ATOM 0 HD1 TYR B 48 10.308 -7.622 -1.644 1.00 0.00 H new ATOM 0 HD2 TYR B 48 11.103 -3.564 -2.675 1.00 0.00 H new ATOM 0 HE1 TYR B 48 11.448 -7.299 0.508 1.00 0.00 H new ATOM 0 HE2 TYR B 48 12.245 -3.242 -0.523 1.00 0.00 H new ATOM 0 HH TYR B 48 12.877 -4.148 1.388 1.00 0.00 H new ATOM 1751 N GLN B 49 9.019 -6.982 -6.414 1.00 0.00 N ATOM 1752 CA GLN B 49 7.947 -7.431 -7.298 1.00 0.00 C ATOM 1753 C GLN B 49 8.362 -8.663 -8.102 1.00 0.00 C ATOM 1754 O GLN B 49 7.638 -9.658 -8.144 1.00 0.00 O ATOM 1755 CB GLN B 49 7.529 -6.302 -8.244 1.00 0.00 C ATOM 1756 CG GLN B 49 8.649 -5.811 -9.147 1.00 0.00 C ATOM 1757 CD GLN B 49 8.262 -4.578 -9.939 1.00 0.00 C ATOM 1758 OE1 GLN B 49 7.420 -3.789 -9.509 1.00 0.00 O ATOM 1759 NE2 GLN B 49 8.876 -4.406 -11.104 1.00 0.00 N ATOM 0 H GLN B 49 9.538 -6.172 -6.754 1.00 0.00 H new ATOM 0 HA GLN B 49 7.098 -7.708 -6.674 1.00 0.00 H new ATOM 0 HB2 GLN B 49 6.701 -6.647 -8.863 1.00 0.00 H new ATOM 0 HB3 GLN B 49 7.158 -5.465 -7.653 1.00 0.00 H new ATOM 0 HG2 GLN B 49 9.527 -5.588 -8.541 1.00 0.00 H new ATOM 0 HG3 GLN B 49 8.930 -6.607 -9.836 1.00 0.00 H new ATOM 0 HE21 GLN B 49 9.567 -5.085 -11.421 1.00 0.00 H new ATOM 0 HE22 GLN B 49 8.656 -3.594 -11.681 1.00 0.00 H new ATOM 1768 N ARG B 50 9.521 -8.584 -8.750 1.00 0.00 N ATOM 1769 CA ARG B 50 10.027 -9.685 -9.570 1.00 0.00 C ATOM 1770 C ARG B 50 10.255 -10.959 -8.754 1.00 0.00 C ATOM 1771 O ARG B 50 10.445 -12.035 -9.321 1.00 0.00 O ATOM 1772 CB ARG B 50 11.329 -9.271 -10.258 1.00 0.00 C ATOM 1773 CG ARG B 50 11.748 -10.206 -11.382 1.00 0.00 C ATOM 1774 CD ARG B 50 10.948 -9.949 -12.649 1.00 0.00 C ATOM 1775 NE ARG B 50 11.795 -9.936 -13.839 1.00 0.00 N ATOM 1776 CZ ARG B 50 11.436 -9.389 -14.999 1.00 0.00 C ATOM 1777 NH1 ARG B 50 10.248 -8.812 -15.130 1.00 0.00 N ATOM 1778 NH2 ARG B 50 12.268 -9.420 -16.031 1.00 0.00 N ATOM 0 H ARG B 50 10.131 -7.767 -8.724 1.00 0.00 H new ATOM 0 HA ARG B 50 9.266 -9.906 -10.319 1.00 0.00 H new ATOM 0 HB2 ARG B 50 11.214 -8.264 -10.658 1.00 0.00 H new ATOM 0 HB3 ARG B 50 12.126 -9.230 -9.515 1.00 0.00 H new ATOM 0 HG2 ARG B 50 12.810 -10.075 -11.588 1.00 0.00 H new ATOM 0 HG3 ARG B 50 11.610 -11.240 -11.067 1.00 0.00 H new ATOM 0 HD2 ARG B 50 10.183 -10.718 -12.757 1.00 0.00 H new ATOM 0 HD3 ARG B 50 10.430 -8.994 -12.563 1.00 0.00 H new ATOM 0 HE ARG B 50 12.715 -10.371 -13.778 1.00 0.00 H new ATOM 0 HH11 ARG B 50 9.604 -8.786 -14.340 1.00 0.00 H new ATOM 0 HH12 ARG B 50 9.979 -8.395 -16.021 1.00 0.00 H new ATOM 0 HH21 ARG B 50 13.182 -9.863 -15.936 1.00 0.00 H new ATOM 0 HH22 ARG B 50 11.994 -9.001 -16.920 1.00 0.00 H new ATOM 1792 N ILE B 51 10.240 -10.843 -7.430 1.00 0.00 N ATOM 1793 CA ILE B 51 10.448 -12.000 -6.566 1.00 0.00 C ATOM 1794 C ILE B 51 9.177 -12.348 -5.799 1.00 0.00 C ATOM 1795 O ILE B 51 8.717 -13.490 -5.827 1.00 0.00 O ATOM 1796 CB ILE B 51 11.598 -11.758 -5.566 1.00 0.00 C ATOM 1797 CG1 ILE B 51 12.894 -11.440 -6.316 1.00 0.00 C ATOM 1798 CG2 ILE B 51 11.788 -12.970 -4.663 1.00 0.00 C ATOM 1799 CD1 ILE B 51 14.083 -11.221 -5.405 1.00 0.00 C ATOM 0 H ILE B 51 10.087 -9.965 -6.934 1.00 0.00 H new ATOM 0 HA ILE B 51 10.715 -12.835 -7.213 1.00 0.00 H new ATOM 0 HB ILE B 51 11.339 -10.904 -4.941 1.00 0.00 H new ATOM 0 HG12 ILE B 51 13.118 -12.258 -7.001 1.00 0.00 H new ATOM 0 HG13 ILE B 51 12.743 -10.548 -6.923 1.00 0.00 H new ATOM 0 HG21 ILE B 51 12.603 -12.780 -3.965 1.00 0.00 H new ATOM 0 HG22 ILE B 51 10.870 -13.156 -4.106 1.00 0.00 H new ATOM 0 HG23 ILE B 51 12.027 -13.843 -5.271 1.00 0.00 H new ATOM 0 HD11 ILE B 51 14.966 -11.000 -6.005 1.00 0.00 H new ATOM 0 HD12 ILE B 51 13.880 -10.384 -4.737 1.00 0.00 H new ATOM 0 HD13 ILE B 51 14.261 -12.121 -4.816 1.00 0.00 H new ATOM 1811 N GLN B 52 8.615 -11.360 -5.112 1.00 0.00 N ATOM 1812 CA GLN B 52 7.399 -11.567 -4.336 1.00 0.00 C ATOM 1813 C GLN B 52 6.200 -11.811 -5.248 1.00 0.00 C ATOM 1814 O GLN B 52 5.532 -12.840 -5.144 1.00 0.00 O ATOM 1815 CB GLN B 52 7.130 -10.360 -3.434 1.00 0.00 C ATOM 1816 CG GLN B 52 6.421 -10.713 -2.136 1.00 0.00 C ATOM 1817 CD GLN B 52 5.194 -11.578 -2.355 1.00 0.00 C ATOM 1818 OE1 GLN B 52 4.302 -11.227 -3.127 1.00 0.00 O ATOM 1819 NE2 GLN B 52 5.145 -12.717 -1.674 1.00 0.00 N ATOM 0 H GLN B 52 8.982 -10.409 -5.077 1.00 0.00 H new ATOM 0 HA GLN B 52 7.545 -12.451 -3.716 1.00 0.00 H new ATOM 0 HB2 GLN B 52 8.077 -9.874 -3.200 1.00 0.00 H new ATOM 0 HB3 GLN B 52 6.527 -9.636 -3.982 1.00 0.00 H new ATOM 0 HG2 GLN B 52 7.116 -11.235 -1.478 1.00 0.00 H new ATOM 0 HG3 GLN B 52 6.127 -9.795 -1.626 1.00 0.00 H new ATOM 0 HE21 GLN B 52 5.907 -12.968 -1.045 1.00 0.00 H new ATOM 0 HE22 GLN B 52 4.345 -13.341 -1.780 1.00 0.00 H new ATOM 1828 N ALA B 53 5.929 -10.860 -6.137 1.00 0.00 N ATOM 1829 CA ALA B 53 4.809 -10.976 -7.058 1.00 0.00 C ATOM 1830 C ALA B 53 5.150 -11.887 -8.232 1.00 0.00 C ATOM 1831 O ALA B 53 4.282 -12.575 -8.769 1.00 0.00 O ATOM 1832 CB ALA B 53 4.394 -9.600 -7.558 1.00 0.00 C ATOM 0 H ALA B 53 6.471 -10.002 -6.237 1.00 0.00 H new ATOM 0 HA ALA B 53 3.974 -11.424 -6.519 1.00 0.00 H new ATOM 0 HB1 ALA B 53 3.555 -9.701 -8.246 1.00 0.00 H new ATOM 0 HB2 ALA B 53 4.097 -8.980 -6.712 1.00 0.00 H new ATOM 0 HB3 ALA B 53 5.232 -9.132 -8.074 1.00 0.00 H new ATOM 1838 N GLU B 54 6.419 -11.886 -8.626 1.00 0.00 N ATOM 1839 CA GLU B 54 6.874 -12.712 -9.738 1.00 0.00 C ATOM 1840 C GLU B 54 7.765 -13.848 -9.244 1.00 0.00 C ATOM 1841 O GLU B 54 8.731 -13.622 -8.515 1.00 0.00 O ATOM 1842 CB GLU B 54 7.633 -11.859 -10.758 1.00 0.00 C ATOM 1843 CG GLU B 54 7.229 -12.130 -12.198 1.00 0.00 C ATOM 1844 CD GLU B 54 7.454 -10.933 -13.101 1.00 0.00 C ATOM 1845 OE1 GLU B 54 6.752 -9.916 -12.924 1.00 0.00 O ATOM 1846 OE2 GLU B 54 8.333 -11.014 -13.985 1.00 0.00 O ATOM 0 H GLU B 54 7.150 -11.323 -8.192 1.00 0.00 H new ATOM 0 HA GLU B 54 5.997 -13.145 -10.218 1.00 0.00 H new ATOM 0 HB2 GLU B 54 7.465 -10.805 -10.535 1.00 0.00 H new ATOM 0 HB3 GLU B 54 8.702 -12.042 -10.649 1.00 0.00 H new ATOM 0 HG2 GLU B 54 7.798 -12.979 -12.578 1.00 0.00 H new ATOM 0 HG3 GLU B 54 6.176 -12.412 -12.229 1.00 0.00 H new ATOM 1853 N LYS B 55 7.436 -15.068 -9.648 1.00 0.00 N ATOM 1854 CA LYS B 55 8.208 -16.238 -9.249 1.00 0.00 C ATOM 1855 C LYS B 55 9.593 -16.214 -9.887 1.00 0.00 C ATOM 1856 O LYS B 55 9.806 -16.788 -10.955 1.00 0.00 O ATOM 1857 CB LYS B 55 7.473 -17.520 -9.645 1.00 0.00 C ATOM 1858 CG LYS B 55 6.025 -17.557 -9.185 1.00 0.00 C ATOM 1859 CD LYS B 55 5.345 -18.855 -9.588 1.00 0.00 C ATOM 1860 CE LYS B 55 5.807 -20.017 -8.723 1.00 0.00 C ATOM 1861 NZ LYS B 55 5.403 -21.331 -9.296 1.00 0.00 N ATOM 0 H LYS B 55 6.640 -15.273 -10.252 1.00 0.00 H new ATOM 0 HA LYS B 55 8.324 -16.216 -8.165 1.00 0.00 H new ATOM 0 HB2 LYS B 55 7.504 -17.627 -10.729 1.00 0.00 H new ATOM 0 HB3 LYS B 55 8.001 -18.376 -9.225 1.00 0.00 H new ATOM 0 HG2 LYS B 55 5.983 -17.445 -8.102 1.00 0.00 H new ATOM 0 HG3 LYS B 55 5.484 -16.713 -9.614 1.00 0.00 H new ATOM 0 HD2 LYS B 55 4.264 -18.743 -9.502 1.00 0.00 H new ATOM 0 HD3 LYS B 55 5.561 -19.071 -10.634 1.00 0.00 H new ATOM 0 HE2 LYS B 55 6.892 -19.984 -8.620 1.00 0.00 H new ATOM 0 HE3 LYS B 55 5.388 -19.913 -7.722 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 5.737 -22.097 -8.677 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 4.367 -21.373 -9.371 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 5.823 -21.442 -10.241 1.00 0.00 H new