USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 845 hydrogens (30 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 400 HEMFE :(H bumps) USER MOD NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 400 HEMFE :(H bumps) USER MOD Set 1.1: A 76 SER OG : rot 180:sc= 0.0878 USER MOD Set 1.2: A 400 HEM CMB :methyl -30:sc= -0.15 (180deg=-1.24) USER MOD Set 2.1: A 26 THR OG1 : rot 88:sc= 0.116 USER MOD Set 2.2: A 38 THR OG1 : rot -41:sc= 0.996 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= 0.705 (180deg=0.521) USER MOD Single : A 4 GLN : amide:sc= 0.549 K(o=0.55,f=-4.6!) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0379 USER MOD Single : A 7 LYS NZ :NH3+ 157:sc= 0.345 (180deg=0.0115) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot -120:sc= 0.939 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0617) USER MOD Single : A 20 HIS : no HE2:sc= 0.668 K(o=0.67,f=-5.9!) USER MOD Single : A 21 ASN : amide:sc= -0.112 K(o=-0.11,f=-2.7!) USER MOD Single : A 22 HIS : no HD1:sc= -0.0526 K(o=-0.053,f=-0.95) USER MOD Single : A 23 SER OG : rot 180:sc= 0.0135 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 121:sc= 1.26 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.0445 X(o=-0.044,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0.199 K(o=0.2,f=-1.3) USER MOD Single : A 60 THR OG1 : rot 113:sc= 0.913 USER MOD Single : A 62 ASN : amide:sc= -2.31! C(o=-2.3!,f=-3.8!) USER MOD Single : A 69 SER OG : rot 77:sc= 1.12 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HE2:sc= 0.514 K(o=0.51,f=-6!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -171:sc= -0.006 (180deg=-0.108) USER MOD Single : A 93 SER OG : rot 180:sc= -1.99! USER MOD Single : A 94 LYS NZ :NH3+ -137:sc= 1.33 (180deg=0.106!) USER MOD Single : A 96 MET CE :methyl 160:sc= -0.185 (180deg=-0.803) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0639 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0251 USER MOD Single : A 400 HEM CMA :methyl -30:sc= -2.55! (180deg=-5.61!) USER MOD Single : A 400 HEM CMC :methyl -30:sc= -0.454 (180deg=-1.44) USER MOD Single : A 400 HEM CMD :methyl -30:sc= -0.741 (180deg=-0.894) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.594 -12.339 18.050 1.00 1.40 N ATOM 2 CA MET A 1 19.239 -12.450 18.637 1.00 1.19 C ATOM 3 C MET A 1 18.166 -12.228 17.575 1.00 1.07 C ATOM 4 O MET A 1 17.476 -13.168 17.175 1.00 1.47 O ATOM 5 CB MET A 1 19.060 -11.445 19.780 1.00 1.39 C ATOM 6 CG MET A 1 19.557 -11.958 21.122 1.00 1.77 C ATOM 7 SD MET A 1 21.350 -12.151 21.173 1.00 2.23 S ATOM 8 CE MET A 1 21.558 -12.994 22.742 1.00 2.70 C ATOM 0 H1 MET A 1 21.295 -12.239 18.812 1.00 1.40 H new ATOM 0 H2 MET A 1 20.804 -13.194 17.497 1.00 1.40 H new ATOM 0 H3 MET A 1 20.636 -11.506 17.429 1.00 1.40 H new ATOM 0 HA MET A 1 19.130 -13.459 19.036 1.00 1.19 H new ATOM 0 HB2 MET A 1 19.591 -10.526 19.532 1.00 1.39 H new ATOM 0 HB3 MET A 1 18.004 -11.189 19.866 1.00 1.39 H new ATOM 0 HG2 MET A 1 19.247 -11.268 21.907 1.00 1.77 H new ATOM 0 HG3 MET A 1 19.086 -12.917 21.337 1.00 1.77 H new ATOM 0 HE1 MET A 1 22.617 -13.183 22.916 1.00 2.70 H new ATOM 0 HE2 MET A 1 21.164 -12.371 23.545 1.00 2.70 H new ATOM 0 HE3 MET A 1 21.019 -13.941 22.720 1.00 2.70 H new ATOM 20 N ALA A 2 18.031 -10.991 17.119 1.00 0.86 N ATOM 21 CA ALA A 2 17.041 -10.655 16.108 1.00 0.87 C ATOM 22 C ALA A 2 17.711 -10.335 14.778 1.00 0.72 C ATOM 23 O ALA A 2 18.299 -9.265 14.611 1.00 0.87 O ATOM 24 CB ALA A 2 16.190 -9.479 16.569 1.00 1.10 C ATOM 0 H ALA A 2 18.596 -10.203 17.434 1.00 0.86 H new ATOM 0 HA ALA A 2 16.394 -11.520 15.964 1.00 0.87 H new ATOM 0 HB1 ALA A 2 15.454 -9.240 15.802 1.00 1.10 H new ATOM 0 HB2 ALA A 2 15.677 -9.742 17.494 1.00 1.10 H new ATOM 0 HB3 ALA A 2 16.829 -8.613 16.741 1.00 1.10 H new ATOM 30 N ALA A 3 17.637 -11.273 13.842 1.00 0.71 N ATOM 31 CA ALA A 3 18.239 -11.090 12.529 1.00 0.72 C ATOM 32 C ALA A 3 17.381 -11.737 11.445 1.00 0.70 C ATOM 33 O ALA A 3 17.899 -12.231 10.440 1.00 1.05 O ATOM 34 CB ALA A 3 19.647 -11.670 12.511 1.00 0.96 C ATOM 0 H ALA A 3 17.165 -12.169 13.969 1.00 0.71 H new ATOM 0 HA ALA A 3 18.298 -10.021 12.322 1.00 0.72 H new ATOM 0 HB1 ALA A 3 20.087 -11.527 11.524 1.00 0.96 H new ATOM 0 HB2 ALA A 3 20.259 -11.164 13.258 1.00 0.96 H new ATOM 0 HB3 ALA A 3 19.605 -12.735 12.739 1.00 0.96 H new ATOM 40 N GLN A 4 16.067 -11.728 11.649 1.00 0.66 N ATOM 41 CA GLN A 4 15.141 -12.314 10.687 1.00 0.68 C ATOM 42 C GLN A 4 15.184 -11.545 9.367 1.00 0.66 C ATOM 43 O GLN A 4 15.306 -10.320 9.348 1.00 0.81 O ATOM 44 CB GLN A 4 13.708 -12.343 11.240 1.00 0.83 C ATOM 45 CG GLN A 4 13.078 -10.967 11.415 1.00 0.97 C ATOM 46 CD GLN A 4 13.160 -10.455 12.840 1.00 1.33 C ATOM 47 OE1 GLN A 4 14.091 -10.779 13.582 1.00 1.79 O ATOM 48 NE2 GLN A 4 12.190 -9.642 13.230 1.00 1.63 N ATOM 0 H GLN A 4 15.620 -11.322 12.471 1.00 0.66 H new ATOM 0 HA GLN A 4 15.454 -13.342 10.506 1.00 0.68 H new ATOM 0 HB2 GLN A 4 13.084 -12.933 10.569 1.00 0.83 H new ATOM 0 HB3 GLN A 4 13.713 -12.853 12.203 1.00 0.83 H new ATOM 0 HG2 GLN A 4 13.574 -10.259 10.751 1.00 0.97 H new ATOM 0 HG3 GLN A 4 12.032 -11.011 11.110 1.00 0.97 H new ATOM 0 HE21 GLN A 4 11.438 -9.399 12.585 1.00 1.63 H new ATOM 0 HE22 GLN A 4 12.195 -9.259 14.175 1.00 1.63 H new ATOM 57 N SER A 5 15.122 -12.274 8.266 1.00 0.71 N ATOM 58 CA SER A 5 15.159 -11.670 6.943 1.00 0.76 C ATOM 59 C SER A 5 14.302 -12.476 5.971 1.00 0.73 C ATOM 60 O SER A 5 14.608 -12.573 4.780 1.00 1.11 O ATOM 61 CB SER A 5 16.605 -11.595 6.444 1.00 0.98 C ATOM 62 OG SER A 5 17.452 -11.016 7.427 1.00 1.18 O ATOM 0 H SER A 5 15.045 -13.291 8.262 1.00 0.71 H new ATOM 0 HA SER A 5 14.755 -10.659 7.003 1.00 0.76 H new ATOM 0 HB2 SER A 5 16.960 -12.595 6.196 1.00 0.98 H new ATOM 0 HB3 SER A 5 16.648 -11.005 5.528 1.00 0.98 H new ATOM 0 HG SER A 5 18.370 -10.980 7.087 1.00 1.18 H new ATOM 68 N ASP A 6 13.216 -13.033 6.493 1.00 0.62 N ATOM 69 CA ASP A 6 12.298 -13.844 5.700 1.00 0.68 C ATOM 70 C ASP A 6 11.480 -12.980 4.751 1.00 0.58 C ATOM 71 O ASP A 6 11.399 -11.763 4.917 1.00 0.80 O ATOM 72 CB ASP A 6 11.345 -14.609 6.617 1.00 0.89 C ATOM 73 CG ASP A 6 11.714 -16.069 6.762 1.00 1.54 C ATOM 74 OD1 ASP A 6 12.668 -16.374 7.509 1.00 2.18 O ATOM 75 OD2 ASP A 6 11.045 -16.920 6.139 1.00 1.98 O ATOM 0 H ASP A 6 12.947 -12.937 7.472 1.00 0.62 H new ATOM 0 HA ASP A 6 12.896 -14.544 5.116 1.00 0.68 H new ATOM 0 HB2 ASP A 6 11.342 -14.141 7.601 1.00 0.89 H new ATOM 0 HB3 ASP A 6 10.331 -14.533 6.224 1.00 0.89 H new ATOM 80 N LYS A 7 10.880 -13.618 3.755 1.00 0.54 N ATOM 81 CA LYS A 7 10.044 -12.930 2.782 1.00 0.58 C ATOM 82 C LYS A 7 8.692 -13.622 2.718 1.00 0.53 C ATOM 83 O LYS A 7 8.614 -14.845 2.843 1.00 0.85 O ATOM 84 CB LYS A 7 10.690 -12.933 1.393 1.00 0.81 C ATOM 85 CG LYS A 7 12.012 -12.185 1.318 1.00 1.05 C ATOM 86 CD LYS A 7 11.829 -10.697 1.560 1.00 1.24 C ATOM 87 CE LYS A 7 12.905 -9.890 0.856 1.00 1.58 C ATOM 88 NZ LYS A 7 12.866 -8.457 1.246 1.00 1.91 N ATOM 0 H LYS A 7 10.959 -14.623 3.600 1.00 0.54 H new ATOM 0 HA LYS A 7 9.925 -11.893 3.095 1.00 0.58 H new ATOM 0 HB2 LYS A 7 10.851 -13.965 1.082 1.00 0.81 H new ATOM 0 HB3 LYS A 7 9.994 -12.490 0.680 1.00 0.81 H new ATOM 0 HG2 LYS A 7 12.703 -12.592 2.057 1.00 1.05 H new ATOM 0 HG3 LYS A 7 12.464 -12.342 0.339 1.00 1.05 H new ATOM 0 HD2 LYS A 7 10.847 -10.386 1.205 1.00 1.24 H new ATOM 0 HD3 LYS A 7 11.860 -10.493 2.630 1.00 1.24 H new ATOM 0 HE2 LYS A 7 13.884 -10.305 1.094 1.00 1.58 H new ATOM 0 HE3 LYS A 7 12.776 -9.976 -0.223 1.00 1.58 H new ATOM 0 HZ1 LYS A 7 13.798 -8.026 1.079 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 12.149 -7.962 0.678 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 12.624 -8.378 2.254 1.00 1.91 H new ATOM 102 N ASP A 8 7.632 -12.855 2.542 1.00 0.50 N ATOM 103 CA ASP A 8 6.298 -13.430 2.473 1.00 0.54 C ATOM 104 C ASP A 8 5.459 -12.721 1.424 1.00 0.51 C ATOM 105 O ASP A 8 5.930 -11.801 0.755 1.00 0.83 O ATOM 106 CB ASP A 8 5.604 -13.349 3.835 1.00 0.75 C ATOM 107 CG ASP A 8 4.737 -14.561 4.110 1.00 1.00 C ATOM 108 OD1 ASP A 8 3.719 -14.746 3.410 1.00 1.72 O ATOM 109 OD2 ASP A 8 5.077 -15.345 5.023 1.00 1.44 O ATOM 0 H ASP A 8 7.666 -11.840 2.445 1.00 0.50 H new ATOM 0 HA ASP A 8 6.399 -14.478 2.191 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.356 -13.257 4.619 1.00 0.75 H new ATOM 0 HB3 ASP A 8 4.990 -12.449 3.875 1.00 0.75 H new ATOM 114 N VAL A 9 4.218 -13.156 1.292 1.00 0.39 N ATOM 115 CA VAL A 9 3.295 -12.579 0.335 1.00 0.35 C ATOM 116 C VAL A 9 1.855 -12.923 0.730 1.00 0.33 C ATOM 117 O VAL A 9 1.206 -13.800 0.153 1.00 0.44 O ATOM 118 CB VAL A 9 3.619 -13.030 -1.116 1.00 0.44 C ATOM 119 CG1 VAL A 9 3.696 -14.545 -1.225 1.00 0.55 C ATOM 120 CG2 VAL A 9 2.617 -12.454 -2.109 1.00 0.47 C ATOM 0 H VAL A 9 3.824 -13.917 1.845 1.00 0.39 H new ATOM 0 HA VAL A 9 3.407 -11.495 0.354 1.00 0.35 H new ATOM 0 HB VAL A 9 4.602 -12.635 -1.370 1.00 0.44 H new ATOM 0 HG11 VAL A 9 3.924 -14.825 -2.254 1.00 0.55 H new ATOM 0 HG12 VAL A 9 4.479 -14.918 -0.565 1.00 0.55 H new ATOM 0 HG13 VAL A 9 2.740 -14.980 -0.935 1.00 0.55 H new ATOM 0 HG21 VAL A 9 2.870 -12.787 -3.116 1.00 0.47 H new ATOM 0 HG22 VAL A 9 1.614 -12.797 -1.854 1.00 0.47 H new ATOM 0 HG23 VAL A 9 2.649 -11.365 -2.068 1.00 0.47 H new ATOM 130 N LYS A 10 1.373 -12.238 1.755 1.00 0.30 N ATOM 131 CA LYS A 10 0.022 -12.450 2.253 1.00 0.34 C ATOM 132 C LYS A 10 -0.972 -11.661 1.408 1.00 0.34 C ATOM 133 O LYS A 10 -0.902 -10.434 1.337 1.00 0.48 O ATOM 134 CB LYS A 10 -0.072 -12.031 3.724 1.00 0.42 C ATOM 135 CG LYS A 10 -1.146 -12.772 4.510 1.00 0.93 C ATOM 136 CD LYS A 10 -1.129 -12.391 5.983 1.00 0.98 C ATOM 137 CE LYS A 10 0.085 -12.962 6.707 1.00 1.27 C ATOM 138 NZ LYS A 10 -0.049 -14.422 6.974 1.00 1.97 N ATOM 0 H LYS A 10 1.900 -11.526 2.261 1.00 0.30 H new ATOM 0 HA LYS A 10 -0.221 -13.510 2.181 1.00 0.34 H new ATOM 0 HB2 LYS A 10 0.894 -12.198 4.201 1.00 0.42 H new ATOM 0 HB3 LYS A 10 -0.272 -10.961 3.775 1.00 0.42 H new ATOM 0 HG2 LYS A 10 -2.126 -12.548 4.088 1.00 0.93 H new ATOM 0 HG3 LYS A 10 -0.994 -13.847 4.410 1.00 0.93 H new ATOM 0 HD2 LYS A 10 -1.129 -11.305 6.077 1.00 0.98 H new ATOM 0 HD3 LYS A 10 -2.039 -12.752 6.461 1.00 0.98 H new ATOM 0 HE2 LYS A 10 0.978 -12.785 6.108 1.00 1.27 H new ATOM 0 HE3 LYS A 10 0.224 -12.434 7.650 1.00 1.27 H new ATOM 0 HZ1 LYS A 10 0.800 -14.764 7.467 1.00 1.97 H new ATOM 0 HZ2 LYS A 10 -0.886 -14.591 7.568 1.00 1.97 H new ATOM 0 HZ3 LYS A 10 -0.155 -14.931 6.073 1.00 1.97 H new ATOM 152 N TYR A 11 -1.883 -12.367 0.758 1.00 0.34 N ATOM 153 CA TYR A 11 -2.880 -11.730 -0.092 1.00 0.35 C ATOM 154 C TYR A 11 -3.991 -11.118 0.747 1.00 0.33 C ATOM 155 O TYR A 11 -4.714 -11.822 1.452 1.00 0.39 O ATOM 156 CB TYR A 11 -3.451 -12.737 -1.095 1.00 0.43 C ATOM 157 CG TYR A 11 -2.587 -12.909 -2.324 1.00 0.50 C ATOM 158 CD1 TYR A 11 -1.458 -13.721 -2.300 1.00 0.85 C ATOM 159 CD2 TYR A 11 -2.895 -12.247 -3.504 1.00 0.81 C ATOM 160 CE1 TYR A 11 -0.664 -13.867 -3.420 1.00 0.96 C ATOM 161 CE2 TYR A 11 -2.105 -12.387 -4.626 1.00 0.95 C ATOM 162 CZ TYR A 11 -0.990 -13.196 -4.579 1.00 0.83 C ATOM 163 OH TYR A 11 -0.197 -13.329 -5.693 1.00 1.03 O ATOM 0 H TYR A 11 -1.954 -13.384 0.802 1.00 0.34 H new ATOM 0 HA TYR A 11 -2.395 -10.928 -0.648 1.00 0.35 H new ATOM 0 HB2 TYR A 11 -3.569 -13.703 -0.603 1.00 0.43 H new ATOM 0 HB3 TYR A 11 -4.445 -12.412 -1.401 1.00 0.43 H new ATOM 0 HD1 TYR A 11 -1.199 -14.245 -1.392 1.00 0.85 H new ATOM 0 HD2 TYR A 11 -3.768 -11.612 -3.545 1.00 0.81 H new ATOM 0 HE1 TYR A 11 0.208 -14.504 -3.388 1.00 0.96 H new ATOM 0 HE2 TYR A 11 -2.359 -11.865 -5.537 1.00 0.95 H new ATOM 0 HH TYR A 11 0.155 -12.451 -5.951 1.00 1.03 H new ATOM 173 N TYR A 12 -4.118 -9.802 0.668 1.00 0.37 N ATOM 174 CA TYR A 12 -5.131 -9.087 1.429 1.00 0.41 C ATOM 175 C TYR A 12 -6.309 -8.703 0.548 1.00 0.42 C ATOM 176 O TYR A 12 -6.181 -8.591 -0.673 1.00 0.45 O ATOM 177 CB TYR A 12 -4.534 -7.830 2.065 1.00 0.45 C ATOM 178 CG TYR A 12 -3.704 -8.104 3.300 1.00 0.51 C ATOM 179 CD1 TYR A 12 -4.303 -8.503 4.488 1.00 0.77 C ATOM 180 CD2 TYR A 12 -2.323 -7.958 3.281 1.00 0.70 C ATOM 181 CE1 TYR A 12 -3.552 -8.747 5.622 1.00 0.91 C ATOM 182 CE2 TYR A 12 -1.565 -8.197 4.410 1.00 0.82 C ATOM 183 CZ TYR A 12 -2.184 -8.592 5.578 1.00 0.82 C ATOM 184 OH TYR A 12 -1.433 -8.822 6.708 1.00 1.02 O ATOM 0 H TYR A 12 -3.531 -9.207 0.084 1.00 0.37 H new ATOM 0 HA TYR A 12 -5.487 -9.753 2.215 1.00 0.41 H new ATOM 0 HB2 TYR A 12 -3.913 -7.321 1.327 1.00 0.45 H new ATOM 0 HB3 TYR A 12 -5.343 -7.148 2.327 1.00 0.45 H new ATOM 0 HD1 TYR A 12 -5.375 -8.625 4.526 1.00 0.77 H new ATOM 0 HD2 TYR A 12 -1.834 -7.652 2.368 1.00 0.70 H new ATOM 0 HE1 TYR A 12 -4.035 -9.057 6.537 1.00 0.91 H new ATOM 0 HE2 TYR A 12 -0.492 -8.075 4.379 1.00 0.82 H new ATOM 0 HH TYR A 12 -0.486 -8.670 6.508 1.00 1.02 H new ATOM 194 N THR A 13 -7.455 -8.510 1.174 1.00 0.47 N ATOM 195 CA THR A 13 -8.663 -8.129 0.472 1.00 0.51 C ATOM 196 C THR A 13 -8.728 -6.609 0.296 1.00 0.47 C ATOM 197 O THR A 13 -8.086 -5.862 1.045 1.00 0.46 O ATOM 198 CB THR A 13 -9.897 -8.625 1.244 1.00 0.62 C ATOM 199 OG1 THR A 13 -9.501 -9.073 2.550 1.00 0.77 O ATOM 200 CG2 THR A 13 -10.577 -9.765 0.500 1.00 0.86 C ATOM 0 H THR A 13 -7.573 -8.613 2.182 1.00 0.47 H new ATOM 0 HA THR A 13 -8.651 -8.590 -0.516 1.00 0.51 H new ATOM 0 HB THR A 13 -10.603 -7.799 1.335 1.00 0.62 H new ATOM 0 HG1 THR A 13 -10.289 -9.387 3.041 1.00 0.77 H new ATOM 0 HG21 THR A 13 -11.447 -10.100 1.064 1.00 0.86 H new ATOM 0 HG22 THR A 13 -10.894 -9.419 -0.484 1.00 0.86 H new ATOM 0 HG23 THR A 13 -9.878 -10.593 0.386 1.00 0.86 H new ATOM 208 N LEU A 14 -9.500 -6.152 -0.688 1.00 0.50 N ATOM 209 CA LEU A 14 -9.636 -4.724 -0.962 1.00 0.51 C ATOM 210 C LEU A 14 -10.259 -4.000 0.229 1.00 0.48 C ATOM 211 O LEU A 14 -9.882 -2.874 0.554 1.00 0.51 O ATOM 212 CB LEU A 14 -10.492 -4.501 -2.215 1.00 0.58 C ATOM 213 CG LEU A 14 -10.452 -3.083 -2.790 1.00 0.73 C ATOM 214 CD1 LEU A 14 -9.173 -2.859 -3.581 1.00 1.00 C ATOM 215 CD2 LEU A 14 -11.675 -2.829 -3.655 1.00 0.95 C ATOM 0 H LEU A 14 -10.042 -6.752 -1.310 1.00 0.50 H new ATOM 0 HA LEU A 14 -8.640 -4.315 -1.134 1.00 0.51 H new ATOM 0 HB2 LEU A 14 -10.165 -5.198 -2.987 1.00 0.58 H new ATOM 0 HB3 LEU A 14 -11.526 -4.750 -1.978 1.00 0.58 H new ATOM 0 HG LEU A 14 -10.464 -2.374 -1.962 1.00 0.73 H new ATOM 0 HD11 LEU A 14 -9.165 -1.845 -3.981 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -8.312 -2.998 -2.927 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -9.124 -3.573 -4.403 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -11.633 -1.817 -4.057 1.00 0.95 H new ATOM 0 HD22 LEU A 14 -11.695 -3.545 -4.477 1.00 0.95 H new ATOM 0 HD23 LEU A 14 -12.576 -2.943 -3.053 1.00 0.95 H new ATOM 227 N GLU A 15 -11.188 -4.669 0.893 1.00 0.50 N ATOM 228 CA GLU A 15 -11.876 -4.103 2.048 1.00 0.53 C ATOM 229 C GLU A 15 -11.015 -4.203 3.307 1.00 0.51 C ATOM 230 O GLU A 15 -11.435 -3.802 4.393 1.00 0.61 O ATOM 231 CB GLU A 15 -13.221 -4.812 2.273 1.00 0.61 C ATOM 232 CG GLU A 15 -13.112 -6.322 2.432 1.00 0.67 C ATOM 233 CD GLU A 15 -13.202 -7.074 1.116 1.00 0.76 C ATOM 234 OE1 GLU A 15 -12.272 -6.961 0.292 1.00 0.83 O ATOM 235 OE2 GLU A 15 -14.199 -7.790 0.896 1.00 1.05 O ATOM 0 H GLU A 15 -11.487 -5.614 0.651 1.00 0.50 H new ATOM 0 HA GLU A 15 -12.060 -3.049 1.843 1.00 0.53 H new ATOM 0 HB2 GLU A 15 -13.693 -4.397 3.164 1.00 0.61 H new ATOM 0 HB3 GLU A 15 -13.879 -4.593 1.432 1.00 0.61 H new ATOM 0 HG2 GLU A 15 -12.165 -6.562 2.915 1.00 0.67 H new ATOM 0 HG3 GLU A 15 -13.905 -6.668 3.095 1.00 0.67 H new ATOM 242 N GLU A 16 -9.815 -4.737 3.155 1.00 0.46 N ATOM 243 CA GLU A 16 -8.901 -4.890 4.275 1.00 0.50 C ATOM 244 C GLU A 16 -7.792 -3.844 4.213 1.00 0.46 C ATOM 245 O GLU A 16 -7.470 -3.206 5.214 1.00 0.51 O ATOM 246 CB GLU A 16 -8.304 -6.300 4.270 1.00 0.58 C ATOM 247 CG GLU A 16 -7.335 -6.566 5.411 1.00 1.05 C ATOM 248 CD GLU A 16 -7.948 -6.306 6.771 1.00 1.60 C ATOM 249 OE1 GLU A 16 -8.982 -6.930 7.092 1.00 2.32 O ATOM 250 OE2 GLU A 16 -7.398 -5.475 7.520 1.00 2.19 O ATOM 0 H GLU A 16 -9.450 -5.073 2.264 1.00 0.46 H new ATOM 0 HA GLU A 16 -9.456 -4.742 5.201 1.00 0.50 H new ATOM 0 HB2 GLU A 16 -9.115 -7.027 4.319 1.00 0.58 H new ATOM 0 HB3 GLU A 16 -7.788 -6.461 3.324 1.00 0.58 H new ATOM 0 HG2 GLU A 16 -6.997 -7.601 5.361 1.00 1.05 H new ATOM 0 HG3 GLU A 16 -6.454 -5.937 5.288 1.00 1.05 H new ATOM 257 N ILE A 17 -7.223 -3.659 3.029 1.00 0.42 N ATOM 258 CA ILE A 17 -6.137 -2.702 2.841 1.00 0.44 C ATOM 259 C ILE A 17 -6.562 -1.262 3.144 1.00 0.43 C ATOM 260 O ILE A 17 -5.834 -0.529 3.812 1.00 0.48 O ATOM 261 CB ILE A 17 -5.562 -2.768 1.412 1.00 0.50 C ATOM 262 CG1 ILE A 17 -6.689 -2.803 0.378 1.00 0.52 C ATOM 263 CG2 ILE A 17 -4.660 -3.986 1.266 1.00 0.58 C ATOM 264 CD1 ILE A 17 -6.380 -2.034 -0.887 1.00 0.98 C ATOM 0 H ILE A 17 -7.495 -4.159 2.183 1.00 0.42 H new ATOM 0 HA ILE A 17 -5.365 -2.990 3.555 1.00 0.44 H new ATOM 0 HB ILE A 17 -4.968 -1.872 1.234 1.00 0.50 H new ATOM 0 HG12 ILE A 17 -6.900 -3.841 0.119 1.00 0.52 H new ATOM 0 HG13 ILE A 17 -7.595 -2.396 0.827 1.00 0.52 H new ATOM 0 HG21 ILE A 17 -4.259 -4.023 0.253 1.00 0.58 H new ATOM 0 HG22 ILE A 17 -3.838 -3.918 1.979 1.00 0.58 H new ATOM 0 HG23 ILE A 17 -5.236 -4.891 1.461 1.00 0.58 H new ATOM 0 HD11 ILE A 17 -7.225 -2.105 -1.572 1.00 0.98 H new ATOM 0 HD12 ILE A 17 -6.199 -0.988 -0.642 1.00 0.98 H new ATOM 0 HD13 ILE A 17 -5.493 -2.455 -1.361 1.00 0.98 H new ATOM 276 N LYS A 18 -7.746 -0.870 2.682 1.00 0.42 N ATOM 277 CA LYS A 18 -8.241 0.492 2.892 1.00 0.48 C ATOM 278 C LYS A 18 -8.902 0.646 4.261 1.00 0.50 C ATOM 279 O LYS A 18 -9.549 1.656 4.540 1.00 0.63 O ATOM 280 CB LYS A 18 -9.235 0.883 1.796 1.00 0.56 C ATOM 281 CG LYS A 18 -10.467 -0.005 1.735 1.00 0.53 C ATOM 282 CD LYS A 18 -11.550 0.602 0.856 1.00 0.87 C ATOM 283 CE LYS A 18 -11.041 0.907 -0.546 1.00 1.05 C ATOM 284 NZ LYS A 18 -12.074 1.577 -1.376 1.00 1.48 N ATOM 0 H LYS A 18 -8.382 -1.473 2.160 1.00 0.42 H new ATOM 0 HA LYS A 18 -7.379 1.157 2.850 1.00 0.48 H new ATOM 0 HB2 LYS A 18 -9.550 1.914 1.956 1.00 0.56 H new ATOM 0 HB3 LYS A 18 -8.728 0.851 0.832 1.00 0.56 H new ATOM 0 HG2 LYS A 18 -10.191 -0.986 1.348 1.00 0.53 H new ATOM 0 HG3 LYS A 18 -10.857 -0.157 2.741 1.00 0.53 H new ATOM 0 HD2 LYS A 18 -12.394 -0.085 0.794 1.00 0.87 H new ATOM 0 HD3 LYS A 18 -11.918 1.519 1.316 1.00 0.87 H new ATOM 0 HE2 LYS A 18 -10.158 1.543 -0.481 1.00 1.05 H new ATOM 0 HE3 LYS A 18 -10.731 -0.020 -1.030 1.00 1.05 H new ATOM 0 HZ1 LYS A 18 -11.689 1.768 -2.323 1.00 1.48 H new ATOM 0 HZ2 LYS A 18 -12.907 0.960 -1.459 1.00 1.48 H new ATOM 0 HZ3 LYS A 18 -12.351 2.474 -0.928 1.00 1.48 H new ATOM 298 N LYS A 19 -8.755 -0.362 5.100 1.00 0.47 N ATOM 299 CA LYS A 19 -9.334 -0.328 6.432 1.00 0.53 C ATOM 300 C LYS A 19 -8.241 -0.441 7.484 1.00 0.54 C ATOM 301 O LYS A 19 -8.463 -0.173 8.665 1.00 0.67 O ATOM 302 CB LYS A 19 -10.337 -1.470 6.600 1.00 0.60 C ATOM 303 CG LYS A 19 -11.758 -1.009 6.883 1.00 0.84 C ATOM 304 CD LYS A 19 -12.407 -0.365 5.666 1.00 1.09 C ATOM 305 CE LYS A 19 -13.929 -0.414 5.750 1.00 1.31 C ATOM 306 NZ LYS A 19 -14.449 0.181 7.013 1.00 1.68 N ATOM 0 H LYS A 19 -8.240 -1.215 4.884 1.00 0.47 H new ATOM 0 HA LYS A 19 -9.853 0.622 6.562 1.00 0.53 H new ATOM 0 HB2 LYS A 19 -10.336 -2.076 5.694 1.00 0.60 H new ATOM 0 HB3 LYS A 19 -10.006 -2.114 7.415 1.00 0.60 H new ATOM 0 HG2 LYS A 19 -12.357 -1.861 7.204 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -11.749 -0.296 7.708 1.00 0.84 H new ATOM 0 HD2 LYS A 19 -12.080 0.671 5.584 1.00 1.09 H new ATOM 0 HD3 LYS A 19 -12.075 -0.876 4.762 1.00 1.09 H new ATOM 0 HE2 LYS A 19 -14.354 0.118 4.899 1.00 1.31 H new ATOM 0 HE3 LYS A 19 -14.261 -1.450 5.676 1.00 1.31 H new ATOM 0 HZ1 LYS A 19 -15.483 0.279 6.951 1.00 1.68 H new ATOM 0 HZ2 LYS A 19 -14.207 -0.438 7.813 1.00 1.68 H new ATOM 0 HZ3 LYS A 19 -14.021 1.118 7.158 1.00 1.68 H new ATOM 320 N HIS A 20 -7.051 -0.816 7.040 1.00 0.55 N ATOM 321 CA HIS A 20 -5.923 -0.989 7.942 1.00 0.59 C ATOM 322 C HIS A 20 -5.110 0.292 8.079 1.00 0.58 C ATOM 323 O HIS A 20 -4.496 0.526 9.118 1.00 0.66 O ATOM 324 CB HIS A 20 -5.027 -2.131 7.462 1.00 0.68 C ATOM 325 CG HIS A 20 -4.712 -3.130 8.533 1.00 0.74 C ATOM 326 ND1 HIS A 20 -5.393 -4.318 8.676 1.00 0.90 N ATOM 327 CD2 HIS A 20 -3.784 -3.112 9.520 1.00 0.98 C ATOM 328 CE1 HIS A 20 -4.903 -4.984 9.703 1.00 1.07 C ATOM 329 NE2 HIS A 20 -3.926 -4.276 10.231 1.00 1.13 N ATOM 0 H HIS A 20 -6.842 -1.006 6.060 1.00 0.55 H new ATOM 0 HA HIS A 20 -6.324 -1.237 8.925 1.00 0.59 H new ATOM 0 HB2 HIS A 20 -5.515 -2.641 6.632 1.00 0.68 H new ATOM 0 HB3 HIS A 20 -4.096 -1.715 7.078 1.00 0.68 H new ATOM 0 HD1 HIS A 20 -6.158 -4.634 8.080 1.00 0.90 H new ATOM 0 HD2 HIS A 20 -3.067 -2.328 9.711 1.00 0.98 H new ATOM 0 HE1 HIS A 20 -5.245 -5.947 10.052 1.00 1.07 H new ATOM 338 N ASN A 21 -5.118 1.124 7.045 1.00 0.58 N ATOM 339 CA ASN A 21 -4.362 2.375 7.072 1.00 0.61 C ATOM 340 C ASN A 21 -4.969 3.355 8.076 1.00 0.60 C ATOM 341 O ASN A 21 -6.136 3.736 7.974 1.00 0.75 O ATOM 342 CB ASN A 21 -4.289 3.004 5.673 1.00 0.72 C ATOM 343 CG ASN A 21 -5.648 3.331 5.091 1.00 0.74 C ATOM 344 OD1 ASN A 21 -6.409 2.438 4.723 1.00 0.96 O ATOM 345 ND2 ASN A 21 -5.953 4.613 4.993 1.00 0.88 N ATOM 0 H ASN A 21 -5.635 0.959 6.181 1.00 0.58 H new ATOM 0 HA ASN A 21 -3.345 2.146 7.392 1.00 0.61 H new ATOM 0 HB2 ASN A 21 -3.694 3.916 5.723 1.00 0.72 H new ATOM 0 HB3 ASN A 21 -3.769 2.321 5.002 1.00 0.72 H new ATOM 0 HD21 ASN A 21 -6.851 4.895 4.599 1.00 0.88 H new ATOM 0 HD22 ASN A 21 -5.291 5.321 5.311 1.00 0.88 H new ATOM 352 N HIS A 22 -4.179 3.724 9.076 1.00 0.64 N ATOM 353 CA HIS A 22 -4.626 4.656 10.109 1.00 0.76 C ATOM 354 C HIS A 22 -3.480 5.565 10.535 1.00 0.88 C ATOM 355 O HIS A 22 -3.500 6.766 10.286 1.00 1.61 O ATOM 356 CB HIS A 22 -5.180 3.898 11.326 1.00 0.83 C ATOM 357 CG HIS A 22 -6.517 3.252 11.096 1.00 0.87 C ATOM 358 ND1 HIS A 22 -7.717 3.903 11.289 1.00 1.32 N ATOM 359 CD2 HIS A 22 -6.836 2.002 10.684 1.00 1.17 C ATOM 360 CE1 HIS A 22 -8.711 3.082 11.006 1.00 1.29 C ATOM 361 NE2 HIS A 22 -8.204 1.923 10.634 1.00 1.09 N ATOM 0 H HIS A 22 -3.222 3.392 9.196 1.00 0.64 H new ATOM 0 HA HIS A 22 -5.425 5.268 9.691 1.00 0.76 H new ATOM 0 HB2 HIS A 22 -4.464 3.130 11.618 1.00 0.83 H new ATOM 0 HB3 HIS A 22 -5.263 4.591 12.164 1.00 0.83 H new ATOM 0 HD2 HIS A 22 -6.141 1.212 10.440 1.00 1.17 H new ATOM 0 HE1 HIS A 22 -9.763 3.320 11.069 1.00 1.29 H new ATOM 0 HE2 HIS A 22 -8.741 1.102 10.355 1.00 1.09 H new ATOM 370 N SER A 23 -2.472 4.980 11.170 1.00 0.60 N ATOM 371 CA SER A 23 -1.314 5.739 11.627 1.00 0.62 C ATOM 372 C SER A 23 -0.084 4.842 11.682 1.00 0.52 C ATOM 373 O SER A 23 0.913 5.089 11.007 1.00 0.62 O ATOM 374 CB SER A 23 -1.591 6.335 13.007 1.00 0.84 C ATOM 375 OG SER A 23 -2.247 5.390 13.840 1.00 1.32 O ATOM 0 H SER A 23 -2.433 3.983 11.380 1.00 0.60 H new ATOM 0 HA SER A 23 -1.125 6.549 10.923 1.00 0.62 H new ATOM 0 HB2 SER A 23 -0.654 6.646 13.469 1.00 0.84 H new ATOM 0 HB3 SER A 23 -2.208 7.228 12.906 1.00 0.84 H new ATOM 0 HG SER A 23 -2.414 5.789 14.719 1.00 1.32 H new ATOM 381 N LYS A 24 -0.177 3.790 12.487 1.00 0.51 N ATOM 382 CA LYS A 24 0.907 2.830 12.645 1.00 0.51 C ATOM 383 C LYS A 24 0.647 1.598 11.784 1.00 0.44 C ATOM 384 O LYS A 24 1.183 0.520 12.033 1.00 0.45 O ATOM 385 CB LYS A 24 1.044 2.425 14.113 1.00 0.71 C ATOM 386 CG LYS A 24 -0.233 1.852 14.714 1.00 0.97 C ATOM 387 CD LYS A 24 -0.013 1.353 16.131 1.00 1.41 C ATOM 388 CE LYS A 24 0.288 2.498 17.084 1.00 1.88 C ATOM 389 NZ LYS A 24 0.770 2.013 18.401 1.00 2.36 N ATOM 0 H LYS A 24 -1.003 3.580 13.047 1.00 0.51 H new ATOM 0 HA LYS A 24 1.837 3.296 12.321 1.00 0.51 H new ATOM 0 HB2 LYS A 24 1.840 1.686 14.204 1.00 0.71 H new ATOM 0 HB3 LYS A 24 1.349 3.296 14.694 1.00 0.71 H new ATOM 0 HG2 LYS A 24 -1.010 2.617 14.714 1.00 0.97 H new ATOM 0 HG3 LYS A 24 -0.592 1.033 14.091 1.00 0.97 H new ATOM 0 HD2 LYS A 24 -0.900 0.818 16.471 1.00 1.41 H new ATOM 0 HD3 LYS A 24 0.813 0.641 16.143 1.00 1.41 H new ATOM 0 HE2 LYS A 24 1.040 3.151 16.641 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -0.611 3.098 17.225 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 0.964 2.826 19.021 1.00 2.36 H new ATOM 0 HZ2 LYS A 24 0.042 1.411 18.837 1.00 2.36 H new ATOM 0 HZ3 LYS A 24 1.642 1.462 18.270 1.00 2.36 H new ATOM 403 N SER A 25 -0.186 1.779 10.774 1.00 0.43 N ATOM 404 CA SER A 25 -0.536 0.708 9.861 1.00 0.42 C ATOM 405 C SER A 25 -0.856 1.287 8.487 1.00 0.42 C ATOM 406 O SER A 25 -1.691 0.764 7.750 1.00 0.50 O ATOM 407 CB SER A 25 -1.730 -0.067 10.414 1.00 0.48 C ATOM 408 OG SER A 25 -2.662 0.807 11.037 1.00 0.83 O ATOM 0 H SER A 25 -0.637 2.670 10.565 1.00 0.43 H new ATOM 0 HA SER A 25 0.306 0.023 9.759 1.00 0.42 H new ATOM 0 HB2 SER A 25 -2.220 -0.611 9.607 1.00 0.48 H new ATOM 0 HB3 SER A 25 -1.384 -0.809 11.134 1.00 0.48 H new ATOM 0 HG SER A 25 -3.533 0.726 10.595 1.00 0.83 H new ATOM 414 N THR A 26 -0.179 2.379 8.163 1.00 0.42 N ATOM 415 CA THR A 26 -0.369 3.063 6.896 1.00 0.43 C ATOM 416 C THR A 26 0.234 2.265 5.744 1.00 0.36 C ATOM 417 O THR A 26 1.450 2.266 5.536 1.00 0.41 O ATOM 418 CB THR A 26 0.258 4.467 6.950 1.00 0.51 C ATOM 419 OG1 THR A 26 -0.242 5.170 8.098 1.00 0.64 O ATOM 420 CG2 THR A 26 -0.052 5.261 5.689 1.00 0.56 C ATOM 0 H THR A 26 0.515 2.814 8.771 1.00 0.42 H new ATOM 0 HA THR A 26 -1.441 3.157 6.721 1.00 0.43 H new ATOM 0 HB THR A 26 1.340 4.356 7.022 1.00 0.51 H new ATOM 0 HG1 THR A 26 0.322 4.971 8.875 1.00 0.64 H new ATOM 0 HG21 THR A 26 0.405 6.248 5.759 1.00 0.56 H new ATOM 0 HG22 THR A 26 0.348 4.736 4.821 1.00 0.56 H new ATOM 0 HG23 THR A 26 -1.132 5.368 5.583 1.00 0.56 H new ATOM 428 N TRP A 27 -0.627 1.573 5.008 1.00 0.35 N ATOM 429 CA TRP A 27 -0.197 0.767 3.878 1.00 0.33 C ATOM 430 C TRP A 27 -0.547 1.452 2.565 1.00 0.32 C ATOM 431 O TRP A 27 -1.617 2.046 2.429 1.00 0.36 O ATOM 432 CB TRP A 27 -0.852 -0.615 3.931 1.00 0.38 C ATOM 433 CG TRP A 27 -0.319 -1.495 5.021 1.00 0.40 C ATOM 434 CD1 TRP A 27 0.829 -1.308 5.737 1.00 0.43 C ATOM 435 CD2 TRP A 27 -0.905 -2.704 5.515 1.00 0.48 C ATOM 436 NE1 TRP A 27 0.991 -2.325 6.645 1.00 0.48 N ATOM 437 CE2 TRP A 27 -0.057 -3.196 6.526 1.00 0.52 C ATOM 438 CE3 TRP A 27 -2.061 -3.419 5.200 1.00 0.56 C ATOM 439 CZ2 TRP A 27 -0.332 -4.370 7.222 1.00 0.63 C ATOM 440 CZ3 TRP A 27 -2.333 -4.584 5.890 1.00 0.68 C ATOM 441 CH2 TRP A 27 -1.474 -5.049 6.891 1.00 0.71 C ATOM 0 H TRP A 27 -1.633 1.556 5.177 1.00 0.35 H new ATOM 0 HA TRP A 27 0.885 0.652 3.935 1.00 0.33 H new ATOM 0 HB2 TRP A 27 -1.926 -0.493 4.068 1.00 0.38 H new ATOM 0 HB3 TRP A 27 -0.708 -1.112 2.972 1.00 0.38 H new ATOM 0 HD1 TRP A 27 1.510 -0.480 5.608 1.00 0.43 H new ATOM 0 HE1 TRP A 27 1.766 -2.416 7.301 1.00 0.48 H new ATOM 0 HE3 TRP A 27 -2.732 -3.067 4.430 1.00 0.56 H new ATOM 0 HZ2 TRP A 27 0.331 -4.732 7.994 1.00 0.63 H new ATOM 0 HZ3 TRP A 27 -3.224 -5.146 5.653 1.00 0.68 H new ATOM 0 HH2 TRP A 27 -1.716 -5.962 7.414 1.00 0.71 H new ATOM 452 N LEU A 28 0.360 1.372 1.606 1.00 0.32 N ATOM 453 CA LEU A 28 0.144 1.963 0.297 1.00 0.33 C ATOM 454 C LEU A 28 0.195 0.870 -0.756 1.00 0.32 C ATOM 455 O LEU A 28 0.995 -0.062 -0.654 1.00 0.32 O ATOM 456 CB LEU A 28 1.190 3.043 0.010 1.00 0.36 C ATOM 457 CG LEU A 28 0.627 4.431 -0.294 1.00 0.56 C ATOM 458 CD1 LEU A 28 1.525 5.513 0.286 1.00 0.85 C ATOM 459 CD2 LEU A 28 0.468 4.622 -1.793 1.00 0.99 C ATOM 0 H LEU A 28 1.258 0.900 1.711 1.00 0.32 H new ATOM 0 HA LEU A 28 -0.836 2.440 0.274 1.00 0.33 H new ATOM 0 HB2 LEU A 28 1.856 3.119 0.870 1.00 0.36 H new ATOM 0 HB3 LEU A 28 1.798 2.722 -0.836 1.00 0.36 H new ATOM 0 HG LEU A 28 -0.355 4.513 0.173 1.00 0.56 H new ATOM 0 HD11 LEU A 28 1.107 6.494 0.059 1.00 0.85 H new ATOM 0 HD12 LEU A 28 1.593 5.389 1.367 1.00 0.85 H new ATOM 0 HD13 LEU A 28 2.520 5.433 -0.151 1.00 0.85 H new ATOM 0 HD21 LEU A 28 0.066 5.615 -1.993 1.00 0.99 H new ATOM 0 HD22 LEU A 28 1.439 4.519 -2.278 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.215 3.869 -2.185 1.00 0.99 H new ATOM 471 N ILE A 29 -0.664 0.967 -1.753 1.00 0.35 N ATOM 472 CA ILE A 29 -0.713 -0.035 -2.798 1.00 0.36 C ATOM 473 C ILE A 29 -0.090 0.484 -4.088 1.00 0.36 C ATOM 474 O ILE A 29 -0.515 1.500 -4.638 1.00 0.39 O ATOM 475 CB ILE A 29 -2.163 -0.510 -3.058 1.00 0.42 C ATOM 476 CG1 ILE A 29 -2.683 -1.320 -1.868 1.00 0.50 C ATOM 477 CG2 ILE A 29 -2.246 -1.338 -4.334 1.00 0.44 C ATOM 478 CD1 ILE A 29 -3.180 -0.473 -0.715 1.00 0.80 C ATOM 0 H ILE A 29 -1.335 1.728 -1.860 1.00 0.35 H new ATOM 0 HA ILE A 29 -0.131 -0.889 -2.453 1.00 0.36 H new ATOM 0 HB ILE A 29 -2.789 0.374 -3.182 1.00 0.42 H new ATOM 0 HG12 ILE A 29 -3.494 -1.965 -2.207 1.00 0.50 H new ATOM 0 HG13 ILE A 29 -1.886 -1.972 -1.509 1.00 0.50 H new ATOM 0 HG21 ILE A 29 -3.275 -1.659 -4.493 1.00 0.44 H new ATOM 0 HG22 ILE A 29 -1.919 -0.735 -5.181 1.00 0.44 H new ATOM 0 HG23 ILE A 29 -1.603 -2.213 -4.242 1.00 0.44 H new ATOM 0 HD11 ILE A 29 -3.531 -1.121 0.088 1.00 0.80 H new ATOM 0 HD12 ILE A 29 -2.367 0.153 -0.347 1.00 0.80 H new ATOM 0 HD13 ILE A 29 -4.000 0.160 -1.055 1.00 0.80 H new ATOM 490 N LEU A 30 0.940 -0.210 -4.540 1.00 0.34 N ATOM 491 CA LEU A 30 1.640 0.138 -5.764 1.00 0.37 C ATOM 492 C LEU A 30 1.754 -1.108 -6.627 1.00 0.38 C ATOM 493 O LEU A 30 2.185 -2.153 -6.146 1.00 0.38 O ATOM 494 CB LEU A 30 3.030 0.696 -5.449 1.00 0.38 C ATOM 495 CG LEU A 30 3.049 1.885 -4.490 1.00 0.40 C ATOM 496 CD1 LEU A 30 4.463 2.167 -4.023 1.00 0.44 C ATOM 497 CD2 LEU A 30 2.463 3.117 -5.158 1.00 0.48 C ATOM 0 H LEU A 30 1.315 -1.032 -4.067 1.00 0.34 H new ATOM 0 HA LEU A 30 1.084 0.909 -6.297 1.00 0.37 H new ATOM 0 HB2 LEU A 30 3.638 -0.103 -5.024 1.00 0.38 H new ATOM 0 HB3 LEU A 30 3.505 0.995 -6.383 1.00 0.38 H new ATOM 0 HG LEU A 30 2.438 1.635 -3.623 1.00 0.40 H new ATOM 0 HD11 LEU A 30 4.458 3.017 -3.341 1.00 0.44 H new ATOM 0 HD12 LEU A 30 4.858 1.291 -3.509 1.00 0.44 H new ATOM 0 HD13 LEU A 30 5.091 2.396 -4.884 1.00 0.44 H new ATOM 0 HD21 LEU A 30 2.485 3.954 -4.460 1.00 0.48 H new ATOM 0 HD22 LEU A 30 3.051 3.366 -6.042 1.00 0.48 H new ATOM 0 HD23 LEU A 30 1.433 2.916 -5.452 1.00 0.48 H new ATOM 509 N HIS A 31 1.330 -1.000 -7.883 1.00 0.41 N ATOM 510 CA HIS A 31 1.356 -2.127 -8.816 1.00 0.43 C ATOM 511 C HIS A 31 0.425 -3.223 -8.314 1.00 0.42 C ATOM 512 O HIS A 31 0.632 -4.403 -8.588 1.00 0.45 O ATOM 513 CB HIS A 31 2.777 -2.681 -8.992 1.00 0.47 C ATOM 514 CG HIS A 31 3.678 -1.815 -9.820 1.00 0.66 C ATOM 515 ND1 HIS A 31 3.607 -1.748 -11.194 1.00 1.11 N ATOM 516 CD2 HIS A 31 4.689 -0.986 -9.461 1.00 1.10 C ATOM 517 CE1 HIS A 31 4.531 -0.922 -11.642 1.00 1.22 C ATOM 518 NE2 HIS A 31 5.204 -0.442 -10.614 1.00 1.18 N ATOM 0 H HIS A 31 0.961 -0.137 -8.282 1.00 0.41 H new ATOM 0 HA HIS A 31 1.017 -1.773 -9.790 1.00 0.43 H new ATOM 0 HB2 HIS A 31 3.226 -2.816 -8.008 1.00 0.47 H new ATOM 0 HB3 HIS A 31 2.716 -3.667 -9.453 1.00 0.47 H new ATOM 0 HD2 HIS A 31 5.028 -0.789 -8.455 1.00 1.10 H new ATOM 0 HE1 HIS A 31 4.708 -0.678 -12.679 1.00 1.22 H new ATOM 0 HE2 HIS A 31 5.977 0.222 -10.666 1.00 1.18 H new ATOM 527 N HIS A 32 -0.606 -2.801 -7.575 1.00 0.42 N ATOM 528 CA HIS A 32 -1.592 -3.709 -6.987 1.00 0.44 C ATOM 529 C HIS A 32 -0.959 -4.596 -5.914 1.00 0.40 C ATOM 530 O HIS A 32 -1.459 -5.679 -5.603 1.00 0.44 O ATOM 531 CB HIS A 32 -2.275 -4.557 -8.062 1.00 0.52 C ATOM 532 CG HIS A 32 -3.307 -3.804 -8.847 1.00 0.68 C ATOM 533 ND1 HIS A 32 -3.338 -3.778 -10.223 1.00 1.01 N ATOM 534 CD2 HIS A 32 -4.361 -3.053 -8.438 1.00 0.85 C ATOM 535 CE1 HIS A 32 -4.359 -3.044 -10.626 1.00 1.09 C ATOM 536 NE2 HIS A 32 -4.999 -2.597 -9.564 1.00 0.97 N ATOM 0 H HIS A 32 -0.779 -1.817 -7.368 1.00 0.42 H new ATOM 0 HA HIS A 32 -2.356 -3.097 -6.507 1.00 0.44 H new ATOM 0 HB2 HIS A 32 -1.518 -4.942 -8.746 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -2.746 -5.419 -7.590 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -4.645 -2.852 -7.416 1.00 0.85 H new ATOM 0 HE1 HIS A 32 -4.625 -2.844 -11.653 1.00 1.09 H new ATOM 0 HE2 HIS A 32 -5.832 -2.009 -9.577 1.00 0.97 H new ATOM 545 N LYS A 33 0.142 -4.123 -5.348 1.00 0.37 N ATOM 546 CA LYS A 33 0.838 -4.843 -4.294 1.00 0.37 C ATOM 547 C LYS A 33 0.840 -3.989 -3.032 1.00 0.33 C ATOM 548 O LYS A 33 0.877 -2.762 -3.115 1.00 0.36 O ATOM 549 CB LYS A 33 2.263 -5.198 -4.731 1.00 0.40 C ATOM 550 CG LYS A 33 2.302 -6.012 -6.016 1.00 0.57 C ATOM 551 CD LYS A 33 3.688 -6.567 -6.307 1.00 0.79 C ATOM 552 CE LYS A 33 3.673 -7.439 -7.554 1.00 0.94 C ATOM 553 NZ LYS A 33 4.939 -8.201 -7.729 1.00 1.02 N ATOM 0 H LYS A 33 0.575 -3.236 -5.605 1.00 0.37 H new ATOM 0 HA LYS A 33 0.323 -5.781 -4.087 1.00 0.37 H new ATOM 0 HB2 LYS A 33 2.834 -4.280 -4.871 1.00 0.40 H new ATOM 0 HB3 LYS A 33 2.752 -5.760 -3.936 1.00 0.40 H new ATOM 0 HG2 LYS A 33 1.591 -6.835 -5.943 1.00 0.57 H new ATOM 0 HG3 LYS A 33 1.981 -5.387 -6.849 1.00 0.57 H new ATOM 0 HD2 LYS A 33 4.392 -5.746 -6.441 1.00 0.79 H new ATOM 0 HD3 LYS A 33 4.037 -7.150 -5.455 1.00 0.79 H new ATOM 0 HE2 LYS A 33 2.837 -8.137 -7.496 1.00 0.94 H new ATOM 0 HE3 LYS A 33 3.505 -6.813 -8.430 1.00 0.94 H new ATOM 0 HZ1 LYS A 33 4.880 -8.779 -8.591 1.00 1.02 H new ATOM 0 HZ2 LYS A 33 5.735 -7.537 -7.811 1.00 1.02 H new ATOM 0 HZ3 LYS A 33 5.088 -8.820 -6.907 1.00 1.02 H new ATOM 567 N VAL A 34 0.795 -4.634 -1.876 1.00 0.30 N ATOM 568 CA VAL A 34 0.740 -3.923 -0.603 1.00 0.30 C ATOM 569 C VAL A 34 2.131 -3.677 -0.029 1.00 0.27 C ATOM 570 O VAL A 34 2.896 -4.614 0.214 1.00 0.28 O ATOM 571 CB VAL A 34 -0.109 -4.692 0.433 1.00 0.32 C ATOM 572 CG1 VAL A 34 -0.420 -3.809 1.633 1.00 0.36 C ATOM 573 CG2 VAL A 34 -1.394 -5.211 -0.200 1.00 0.35 C ATOM 0 H VAL A 34 0.795 -5.650 -1.791 1.00 0.30 H new ATOM 0 HA VAL A 34 0.272 -2.960 -0.807 1.00 0.30 H new ATOM 0 HB VAL A 34 0.470 -5.549 0.779 1.00 0.32 H new ATOM 0 HG11 VAL A 34 -1.019 -4.369 2.351 1.00 0.36 H new ATOM 0 HG12 VAL A 34 0.511 -3.494 2.104 1.00 0.36 H new ATOM 0 HG13 VAL A 34 -0.975 -2.931 1.304 1.00 0.36 H new ATOM 0 HG21 VAL A 34 -1.976 -5.749 0.548 1.00 0.35 H new ATOM 0 HG22 VAL A 34 -1.977 -4.372 -0.579 1.00 0.35 H new ATOM 0 HG23 VAL A 34 -1.149 -5.883 -1.022 1.00 0.35 H new ATOM 583 N TYR A 35 2.447 -2.406 0.190 1.00 0.28 N ATOM 584 CA TYR A 35 3.736 -2.016 0.745 1.00 0.28 C ATOM 585 C TYR A 35 3.552 -1.289 2.076 1.00 0.30 C ATOM 586 O TYR A 35 2.743 -0.360 2.182 1.00 0.32 O ATOM 587 CB TYR A 35 4.492 -1.112 -0.235 1.00 0.31 C ATOM 588 CG TYR A 35 4.889 -1.796 -1.524 1.00 0.31 C ATOM 589 CD1 TYR A 35 6.075 -2.510 -1.615 1.00 0.35 C ATOM 590 CD2 TYR A 35 4.078 -1.725 -2.649 1.00 0.43 C ATOM 591 CE1 TYR A 35 6.443 -3.136 -2.791 1.00 0.40 C ATOM 592 CE2 TYR A 35 4.438 -2.350 -3.827 1.00 0.47 C ATOM 593 CZ TYR A 35 5.622 -3.055 -3.893 1.00 0.41 C ATOM 594 OH TYR A 35 5.984 -3.684 -5.066 1.00 0.48 O ATOM 0 H TYR A 35 1.823 -1.624 -0.010 1.00 0.28 H new ATOM 0 HA TYR A 35 4.318 -2.922 0.914 1.00 0.28 H new ATOM 0 HB2 TYR A 35 3.869 -0.249 -0.471 1.00 0.31 H new ATOM 0 HB3 TYR A 35 5.389 -0.734 0.255 1.00 0.31 H new ATOM 0 HD1 TYR A 35 6.721 -2.578 -0.753 1.00 0.35 H new ATOM 0 HD2 TYR A 35 3.151 -1.172 -2.602 1.00 0.43 H new ATOM 0 HE1 TYR A 35 7.371 -3.686 -2.845 1.00 0.40 H new ATOM 0 HE2 TYR A 35 3.795 -2.287 -4.693 1.00 0.47 H new ATOM 0 HH TYR A 35 5.295 -3.530 -5.746 1.00 0.48 H new ATOM 604 N ASP A 36 4.298 -1.722 3.090 1.00 0.32 N ATOM 605 CA ASP A 36 4.228 -1.110 4.412 1.00 0.36 C ATOM 606 C ASP A 36 5.275 -0.012 4.538 1.00 0.38 C ATOM 607 O ASP A 36 6.478 -0.279 4.551 1.00 0.50 O ATOM 608 CB ASP A 36 4.447 -2.150 5.518 1.00 0.43 C ATOM 609 CG ASP A 36 4.138 -1.608 6.911 1.00 0.57 C ATOM 610 OD1 ASP A 36 4.548 -0.464 7.222 1.00 0.90 O ATOM 611 OD2 ASP A 36 3.482 -2.329 7.699 1.00 1.28 O ATOM 0 H ASP A 36 4.959 -2.496 3.020 1.00 0.32 H new ATOM 0 HA ASP A 36 3.232 -0.683 4.528 1.00 0.36 H new ATOM 0 HB2 ASP A 36 3.817 -3.018 5.323 1.00 0.43 H new ATOM 0 HB3 ASP A 36 5.481 -2.493 5.488 1.00 0.43 H new ATOM 616 N LEU A 37 4.813 1.221 4.628 1.00 0.37 N ATOM 617 CA LEU A 37 5.700 2.362 4.767 1.00 0.43 C ATOM 618 C LEU A 37 5.233 3.224 5.929 1.00 0.37 C ATOM 619 O LEU A 37 5.560 4.407 6.019 1.00 0.40 O ATOM 620 CB LEU A 37 5.737 3.177 3.465 1.00 0.56 C ATOM 621 CG LEU A 37 4.559 4.134 3.228 1.00 0.66 C ATOM 622 CD1 LEU A 37 4.877 5.089 2.089 1.00 0.86 C ATOM 623 CD2 LEU A 37 3.280 3.364 2.926 1.00 0.80 C ATOM 0 H LEU A 37 3.821 1.459 4.607 1.00 0.37 H new ATOM 0 HA LEU A 37 6.711 2.010 4.969 1.00 0.43 H new ATOM 0 HB2 LEU A 37 6.659 3.759 3.452 1.00 0.56 H new ATOM 0 HB3 LEU A 37 5.787 2.482 2.627 1.00 0.56 H new ATOM 0 HG LEU A 37 4.402 4.709 4.140 1.00 0.66 H new ATOM 0 HD11 LEU A 37 4.034 5.761 1.932 1.00 0.86 H new ATOM 0 HD12 LEU A 37 5.764 5.671 2.339 1.00 0.86 H new ATOM 0 HD13 LEU A 37 5.062 4.520 1.178 1.00 0.86 H new ATOM 0 HD21 LEU A 37 2.463 4.066 2.763 1.00 0.80 H new ATOM 0 HD22 LEU A 37 3.423 2.758 2.031 1.00 0.80 H new ATOM 0 HD23 LEU A 37 3.038 2.716 3.768 1.00 0.80 H new ATOM 635 N THR A 38 4.503 2.600 6.845 1.00 0.34 N ATOM 636 CA THR A 38 3.950 3.296 7.997 1.00 0.36 C ATOM 637 C THR A 38 5.045 3.865 8.904 1.00 0.38 C ATOM 638 O THR A 38 4.792 4.771 9.702 1.00 0.44 O ATOM 639 CB THR A 38 3.011 2.374 8.803 1.00 0.41 C ATOM 640 OG1 THR A 38 2.061 3.167 9.519 1.00 0.48 O ATOM 641 CG2 THR A 38 3.778 1.493 9.778 1.00 0.48 C ATOM 0 H THR A 38 4.280 1.605 6.810 1.00 0.34 H new ATOM 0 HA THR A 38 3.370 4.135 7.612 1.00 0.36 H new ATOM 0 HB THR A 38 2.500 1.720 8.096 1.00 0.41 H new ATOM 0 HG1 THR A 38 2.508 3.955 9.892 1.00 0.48 H new ATOM 0 HG21 THR A 38 3.079 0.860 10.324 1.00 0.48 H new ATOM 0 HG22 THR A 38 4.480 0.867 9.228 1.00 0.48 H new ATOM 0 HG23 THR A 38 4.326 2.120 10.482 1.00 0.48 H new ATOM 649 N LYS A 39 6.253 3.332 8.788 1.00 0.39 N ATOM 650 CA LYS A 39 7.368 3.815 9.584 1.00 0.47 C ATOM 651 C LYS A 39 8.405 4.482 8.689 1.00 0.47 C ATOM 652 O LYS A 39 9.533 4.740 9.105 1.00 0.59 O ATOM 653 CB LYS A 39 8.004 2.672 10.382 1.00 0.56 C ATOM 654 CG LYS A 39 7.169 2.218 11.570 1.00 0.75 C ATOM 655 CD LYS A 39 7.011 3.327 12.600 1.00 0.92 C ATOM 656 CE LYS A 39 6.054 2.930 13.713 1.00 1.27 C ATOM 657 NZ LYS A 39 5.784 4.065 14.632 1.00 1.50 N ATOM 0 H LYS A 39 6.484 2.568 8.153 1.00 0.39 H new ATOM 0 HA LYS A 39 6.990 4.553 10.292 1.00 0.47 H new ATOM 0 HB2 LYS A 39 8.167 1.823 9.718 1.00 0.56 H new ATOM 0 HB3 LYS A 39 8.984 2.990 10.738 1.00 0.56 H new ATOM 0 HG2 LYS A 39 6.186 1.899 11.224 1.00 0.75 H new ATOM 0 HG3 LYS A 39 7.639 1.352 12.036 1.00 0.75 H new ATOM 0 HD2 LYS A 39 7.985 3.569 13.026 1.00 0.92 H new ATOM 0 HD3 LYS A 39 6.645 4.229 12.110 1.00 0.92 H new ATOM 0 HE2 LYS A 39 5.117 2.580 13.280 1.00 1.27 H new ATOM 0 HE3 LYS A 39 6.475 2.097 14.276 1.00 1.27 H new ATOM 0 HZ1 LYS A 39 5.128 3.759 15.379 1.00 1.50 H new ATOM 0 HZ2 LYS A 39 6.676 4.382 15.063 1.00 1.50 H new ATOM 0 HZ3 LYS A 39 5.359 4.850 14.098 1.00 1.50 H new ATOM 671 N PHE A 40 8.005 4.763 7.458 1.00 0.40 N ATOM 672 CA PHE A 40 8.890 5.399 6.491 1.00 0.44 C ATOM 673 C PHE A 40 8.265 6.689 5.966 1.00 0.40 C ATOM 674 O PHE A 40 8.833 7.362 5.111 1.00 0.42 O ATOM 675 CB PHE A 40 9.173 4.439 5.330 1.00 0.52 C ATOM 676 CG PHE A 40 10.410 4.772 4.543 1.00 1.16 C ATOM 677 CD1 PHE A 40 11.666 4.530 5.070 1.00 1.66 C ATOM 678 CD2 PHE A 40 10.315 5.324 3.274 1.00 1.77 C ATOM 679 CE1 PHE A 40 12.805 4.834 4.352 1.00 2.39 C ATOM 680 CE2 PHE A 40 11.452 5.631 2.549 1.00 2.45 C ATOM 681 CZ PHE A 40 12.699 5.386 3.089 1.00 2.68 C ATOM 0 H PHE A 40 7.070 4.560 7.103 1.00 0.40 H new ATOM 0 HA PHE A 40 9.830 5.645 6.985 1.00 0.44 H new ATOM 0 HB2 PHE A 40 9.268 3.427 5.725 1.00 0.52 H new ATOM 0 HB3 PHE A 40 8.316 4.439 4.656 1.00 0.52 H new ATOM 0 HD1 PHE A 40 11.756 4.098 6.056 1.00 1.66 H new ATOM 0 HD2 PHE A 40 9.342 5.516 2.847 1.00 1.77 H new ATOM 0 HE1 PHE A 40 13.779 4.641 4.777 1.00 2.39 H new ATOM 0 HE2 PHE A 40 11.365 6.062 1.562 1.00 2.45 H new ATOM 0 HZ PHE A 40 13.589 5.625 2.526 1.00 2.68 H new ATOM 691 N LEU A 41 7.103 7.037 6.510 1.00 0.39 N ATOM 692 CA LEU A 41 6.374 8.234 6.098 1.00 0.43 C ATOM 693 C LEU A 41 7.211 9.495 6.284 1.00 0.44 C ATOM 694 O LEU A 41 7.331 10.314 5.374 1.00 0.47 O ATOM 695 CB LEU A 41 5.073 8.367 6.896 1.00 0.49 C ATOM 696 CG LEU A 41 4.121 7.171 6.812 1.00 0.48 C ATOM 697 CD1 LEU A 41 3.014 7.299 7.845 1.00 0.55 C ATOM 698 CD2 LEU A 41 3.525 7.059 5.419 1.00 0.59 C ATOM 0 H LEU A 41 6.641 6.501 7.245 1.00 0.39 H new ATOM 0 HA LEU A 41 6.146 8.126 5.038 1.00 0.43 H new ATOM 0 HB2 LEU A 41 5.325 8.535 7.943 1.00 0.49 H new ATOM 0 HB3 LEU A 41 4.544 9.255 6.549 1.00 0.49 H new ATOM 0 HG LEU A 41 4.691 6.266 7.020 1.00 0.48 H new ATOM 0 HD11 LEU A 41 2.346 6.440 7.771 1.00 0.55 H new ATOM 0 HD12 LEU A 41 3.450 7.335 8.843 1.00 0.55 H new ATOM 0 HD13 LEU A 41 2.450 8.214 7.663 1.00 0.55 H new ATOM 0 HD21 LEU A 41 2.851 6.203 5.379 1.00 0.59 H new ATOM 0 HD22 LEU A 41 2.971 7.968 5.186 1.00 0.59 H new ATOM 0 HD23 LEU A 41 4.325 6.925 4.691 1.00 0.59 H new ATOM 710 N GLU A 42 7.804 9.639 7.461 1.00 0.49 N ATOM 711 CA GLU A 42 8.617 10.808 7.771 1.00 0.56 C ATOM 712 C GLU A 42 10.018 10.692 7.176 1.00 0.54 C ATOM 713 O GLU A 42 10.757 11.674 7.114 1.00 0.66 O ATOM 714 CB GLU A 42 8.712 10.990 9.283 1.00 0.67 C ATOM 715 CG GLU A 42 9.373 9.819 9.986 1.00 0.72 C ATOM 716 CD GLU A 42 8.937 9.693 11.424 1.00 0.93 C ATOM 717 OE1 GLU A 42 9.358 10.530 12.252 1.00 1.50 O ATOM 718 OE2 GLU A 42 8.162 8.765 11.732 1.00 1.40 O ATOM 0 H GLU A 42 7.737 8.960 8.219 1.00 0.49 H new ATOM 0 HA GLU A 42 8.133 11.678 7.326 1.00 0.56 H new ATOM 0 HB2 GLU A 42 9.274 11.899 9.498 1.00 0.67 H new ATOM 0 HB3 GLU A 42 7.710 11.131 9.689 1.00 0.67 H new ATOM 0 HG2 GLU A 42 9.134 8.898 9.455 1.00 0.72 H new ATOM 0 HG3 GLU A 42 10.456 9.939 9.946 1.00 0.72 H new ATOM 725 N GLU A 43 10.381 9.494 6.739 1.00 0.48 N ATOM 726 CA GLU A 43 11.697 9.262 6.158 1.00 0.50 C ATOM 727 C GLU A 43 11.619 9.279 4.641 1.00 0.43 C ATOM 728 O GLU A 43 12.574 8.919 3.952 1.00 0.54 O ATOM 729 CB GLU A 43 12.269 7.931 6.640 1.00 0.58 C ATOM 730 CG GLU A 43 12.641 7.930 8.110 1.00 0.76 C ATOM 731 CD GLU A 43 13.525 6.764 8.480 1.00 0.96 C ATOM 732 OE1 GLU A 43 14.695 6.739 8.042 1.00 1.46 O ATOM 733 OE2 GLU A 43 13.053 5.861 9.202 1.00 1.56 O ATOM 0 H GLU A 43 9.784 8.668 6.775 1.00 0.48 H new ATOM 0 HA GLU A 43 12.360 10.064 6.483 1.00 0.50 H new ATOM 0 HB2 GLU A 43 11.538 7.143 6.458 1.00 0.58 H new ATOM 0 HB3 GLU A 43 13.153 7.689 6.049 1.00 0.58 H new ATOM 0 HG2 GLU A 43 13.152 8.861 8.353 1.00 0.76 H new ATOM 0 HG3 GLU A 43 11.733 7.899 8.712 1.00 0.76 H new ATOM 740 N HIS A 44 10.473 9.692 4.134 1.00 0.43 N ATOM 741 CA HIS A 44 10.257 9.767 2.703 1.00 0.39 C ATOM 742 C HIS A 44 10.628 11.160 2.198 1.00 0.43 C ATOM 743 O HIS A 44 10.106 12.162 2.688 1.00 0.51 O ATOM 744 CB HIS A 44 8.795 9.439 2.376 1.00 0.41 C ATOM 745 CG HIS A 44 8.501 9.381 0.910 1.00 0.39 C ATOM 746 ND1 HIS A 44 7.611 10.222 0.278 1.00 0.42 N ATOM 747 CD2 HIS A 44 8.993 8.558 -0.055 1.00 0.41 C ATOM 748 CE1 HIS A 44 7.588 9.894 -1.019 1.00 0.40 C ATOM 749 NE2 HIS A 44 8.409 8.893 -1.273 1.00 0.41 N ATOM 0 H HIS A 44 9.673 9.982 4.697 1.00 0.43 H new ATOM 0 HA HIS A 44 10.892 9.036 2.201 1.00 0.39 H new ATOM 0 HB2 HIS A 44 8.538 8.480 2.826 1.00 0.41 H new ATOM 0 HB3 HIS A 44 8.153 10.190 2.836 1.00 0.41 H new ATOM 0 HD1 HIS A 44 7.067 10.963 0.720 1.00 0.42 H new ATOM 0 HD2 HIS A 44 9.718 7.773 0.099 1.00 0.41 H new ATOM 0 HE1 HIS A 44 6.977 10.385 -1.762 1.00 0.40 H new ATOM 757 N PRO A 45 11.540 11.241 1.214 1.00 0.44 N ATOM 758 CA PRO A 45 11.995 12.518 0.646 1.00 0.53 C ATOM 759 C PRO A 45 10.950 13.181 -0.253 1.00 0.62 C ATOM 760 O PRO A 45 11.274 13.714 -1.315 1.00 1.11 O ATOM 761 CB PRO A 45 13.224 12.114 -0.169 1.00 0.58 C ATOM 762 CG PRO A 45 12.976 10.702 -0.556 1.00 0.56 C ATOM 763 CD PRO A 45 12.208 10.086 0.578 1.00 0.44 C ATOM 0 HA PRO A 45 12.195 13.257 1.422 1.00 0.53 H new ATOM 0 HB2 PRO A 45 13.343 12.749 -1.047 1.00 0.58 H new ATOM 0 HB3 PRO A 45 14.137 12.208 0.419 1.00 0.58 H new ATOM 0 HG2 PRO A 45 12.409 10.647 -1.485 1.00 0.56 H new ATOM 0 HG3 PRO A 45 13.915 10.173 -0.723 1.00 0.56 H new ATOM 0 HD2 PRO A 45 11.486 9.352 0.221 1.00 0.44 H new ATOM 0 HD3 PRO A 45 12.868 9.570 1.276 1.00 0.44 H new ATOM 771 N GLY A 46 9.701 13.154 0.182 1.00 0.75 N ATOM 772 CA GLY A 46 8.632 13.753 -0.587 1.00 0.82 C ATOM 773 C GLY A 46 7.454 14.137 0.280 1.00 0.83 C ATOM 774 O GLY A 46 6.356 14.360 -0.221 1.00 1.38 O ATOM 0 H GLY A 46 9.407 12.725 1.060 1.00 0.75 H new ATOM 0 HA2 GLY A 46 9.007 14.638 -1.101 1.00 0.82 H new ATOM 0 HA3 GLY A 46 8.303 13.054 -1.356 1.00 0.82 H new ATOM 778 N GLY A 47 7.685 14.208 1.587 1.00 0.66 N ATOM 779 CA GLY A 47 6.621 14.565 2.506 1.00 0.67 C ATOM 780 C GLY A 47 5.824 13.355 2.957 1.00 0.60 C ATOM 781 O GLY A 47 5.997 12.257 2.421 1.00 0.64 O ATOM 0 H GLY A 47 8.588 14.025 2.025 1.00 0.66 H new ATOM 0 HA2 GLY A 47 7.047 15.063 3.377 1.00 0.67 H new ATOM 0 HA3 GLY A 47 5.953 15.280 2.026 1.00 0.67 H new ATOM 785 N GLU A 48 4.958 13.550 3.945 1.00 0.61 N ATOM 786 CA GLU A 48 4.142 12.458 4.469 1.00 0.63 C ATOM 787 C GLU A 48 2.667 12.646 4.108 1.00 0.63 C ATOM 788 O GLU A 48 1.874 11.706 4.185 1.00 0.65 O ATOM 789 CB GLU A 48 4.306 12.352 5.991 1.00 0.76 C ATOM 790 CG GLU A 48 4.208 13.689 6.713 1.00 0.95 C ATOM 791 CD GLU A 48 4.098 13.537 8.215 1.00 1.21 C ATOM 792 OE1 GLU A 48 2.964 13.398 8.719 1.00 1.79 O ATOM 793 OE2 GLU A 48 5.137 13.570 8.906 1.00 1.86 O ATOM 0 H GLU A 48 4.802 14.450 4.399 1.00 0.61 H new ATOM 0 HA GLU A 48 4.487 11.532 4.010 1.00 0.63 H new ATOM 0 HB2 GLU A 48 3.542 11.681 6.384 1.00 0.76 H new ATOM 0 HB3 GLU A 48 5.273 11.900 6.213 1.00 0.76 H new ATOM 0 HG2 GLU A 48 5.086 14.290 6.476 1.00 0.95 H new ATOM 0 HG3 GLU A 48 3.340 14.234 6.343 1.00 0.95 H new ATOM 800 N GLU A 49 2.311 13.856 3.690 1.00 0.66 N ATOM 801 CA GLU A 49 0.931 14.171 3.333 1.00 0.74 C ATOM 802 C GLU A 49 0.490 13.387 2.105 1.00 0.68 C ATOM 803 O GLU A 49 -0.603 12.818 2.080 1.00 0.72 O ATOM 804 CB GLU A 49 0.770 15.670 3.072 1.00 0.86 C ATOM 805 CG GLU A 49 -0.660 16.158 3.211 1.00 1.10 C ATOM 806 CD GLU A 49 -1.212 15.924 4.601 1.00 1.32 C ATOM 807 OE1 GLU A 49 -0.637 16.466 5.568 1.00 1.81 O ATOM 808 OE2 GLU A 49 -2.213 15.190 4.734 1.00 1.69 O ATOM 0 H GLU A 49 2.960 14.637 3.590 1.00 0.66 H new ATOM 0 HA GLU A 49 0.299 13.885 4.174 1.00 0.74 H new ATOM 0 HB2 GLU A 49 1.403 16.222 3.767 1.00 0.86 H new ATOM 0 HB3 GLU A 49 1.127 15.896 2.067 1.00 0.86 H new ATOM 0 HG2 GLU A 49 -0.703 17.222 2.979 1.00 1.10 H new ATOM 0 HG3 GLU A 49 -1.289 15.647 2.482 1.00 1.10 H new ATOM 815 N VAL A 50 1.356 13.338 1.101 1.00 0.63 N ATOM 816 CA VAL A 50 1.053 12.627 -0.136 1.00 0.60 C ATOM 817 C VAL A 50 0.921 11.124 0.106 1.00 0.54 C ATOM 818 O VAL A 50 0.262 10.420 -0.655 1.00 0.54 O ATOM 819 CB VAL A 50 2.123 12.879 -1.222 1.00 0.64 C ATOM 820 CG1 VAL A 50 2.096 14.331 -1.675 1.00 0.75 C ATOM 821 CG2 VAL A 50 3.511 12.496 -0.724 1.00 0.62 C ATOM 0 H VAL A 50 2.274 13.782 1.118 1.00 0.63 H new ATOM 0 HA VAL A 50 0.099 13.017 -0.492 1.00 0.60 H new ATOM 0 HB VAL A 50 1.888 12.247 -2.078 1.00 0.64 H new ATOM 0 HG11 VAL A 50 2.857 14.488 -2.440 1.00 0.75 H new ATOM 0 HG12 VAL A 50 1.114 14.566 -2.086 1.00 0.75 H new ATOM 0 HG13 VAL A 50 2.298 14.981 -0.824 1.00 0.75 H new ATOM 0 HG21 VAL A 50 4.244 12.684 -1.509 1.00 0.62 H new ATOM 0 HG22 VAL A 50 3.759 13.091 0.155 1.00 0.62 H new ATOM 0 HG23 VAL A 50 3.524 11.438 -0.461 1.00 0.62 H new ATOM 831 N LEU A 51 1.527 10.644 1.182 1.00 0.52 N ATOM 832 CA LEU A 51 1.482 9.229 1.514 1.00 0.50 C ATOM 833 C LEU A 51 0.243 8.887 2.331 1.00 0.53 C ATOM 834 O LEU A 51 -0.377 7.844 2.125 1.00 0.55 O ATOM 835 CB LEU A 51 2.739 8.831 2.288 1.00 0.48 C ATOM 836 CG LEU A 51 4.064 9.181 1.605 1.00 0.46 C ATOM 837 CD1 LEU A 51 5.231 8.862 2.523 1.00 0.49 C ATOM 838 CD2 LEU A 51 4.203 8.433 0.286 1.00 0.47 C ATOM 0 H LEU A 51 2.056 11.215 1.841 1.00 0.52 H new ATOM 0 HA LEU A 51 1.437 8.669 0.580 1.00 0.50 H new ATOM 0 HB2 LEU A 51 2.713 9.315 3.264 1.00 0.48 H new ATOM 0 HB3 LEU A 51 2.712 7.756 2.464 1.00 0.48 H new ATOM 0 HG LEU A 51 4.070 10.250 1.393 1.00 0.46 H new ATOM 0 HD11 LEU A 51 6.166 9.116 2.024 1.00 0.49 H new ATOM 0 HD12 LEU A 51 5.141 9.442 3.441 1.00 0.49 H new ATOM 0 HD13 LEU A 51 5.225 7.799 2.763 1.00 0.49 H new ATOM 0 HD21 LEU A 51 5.151 8.696 -0.183 1.00 0.47 H new ATOM 0 HD22 LEU A 51 4.175 7.359 0.472 1.00 0.47 H new ATOM 0 HD23 LEU A 51 3.382 8.708 -0.376 1.00 0.47 H new ATOM 850 N ARG A 52 -0.133 9.777 3.242 1.00 0.59 N ATOM 851 CA ARG A 52 -1.293 9.540 4.099 1.00 0.66 C ATOM 852 C ARG A 52 -2.608 9.621 3.320 1.00 0.65 C ATOM 853 O ARG A 52 -3.604 9.019 3.716 1.00 0.69 O ATOM 854 CB ARG A 52 -1.305 10.524 5.282 1.00 0.79 C ATOM 855 CG ARG A 52 -1.686 11.952 4.916 1.00 0.97 C ATOM 856 CD ARG A 52 -3.132 12.268 5.279 1.00 1.22 C ATOM 857 NE ARG A 52 -3.385 12.151 6.716 1.00 1.50 N ATOM 858 CZ ARG A 52 -3.129 13.116 7.606 1.00 1.90 C ATOM 859 NH1 ARG A 52 -2.642 14.292 7.214 1.00 2.00 N ATOM 860 NH2 ARG A 52 -3.388 12.910 8.890 1.00 2.61 N ATOM 0 H ARG A 52 0.343 10.664 3.407 1.00 0.59 H new ATOM 0 HA ARG A 52 -1.206 8.525 4.487 1.00 0.66 H new ATOM 0 HB2 ARG A 52 -2.003 10.158 6.035 1.00 0.79 H new ATOM 0 HB3 ARG A 52 -0.316 10.532 5.741 1.00 0.79 H new ATOM 0 HG2 ARG A 52 -1.023 12.647 5.431 1.00 0.97 H new ATOM 0 HG3 ARG A 52 -1.539 12.104 3.847 1.00 0.97 H new ATOM 0 HD2 ARG A 52 -3.373 13.279 4.952 1.00 1.22 H new ATOM 0 HD3 ARG A 52 -3.795 11.592 4.740 1.00 1.22 H new ATOM 0 HE ARG A 52 -3.782 11.277 7.061 1.00 1.50 H new ATOM 0 HH11 ARG A 52 -2.460 14.465 6.225 1.00 2.00 H new ATOM 0 HH12 ARG A 52 -2.451 15.020 7.902 1.00 2.00 H new ATOM 0 HH21 ARG A 52 -3.780 12.019 9.195 1.00 2.61 H new ATOM 0 HH22 ARG A 52 -3.195 13.642 9.573 1.00 2.61 H new ATOM 874 N GLU A 53 -2.612 10.361 2.215 1.00 0.64 N ATOM 875 CA GLU A 53 -3.821 10.505 1.411 1.00 0.68 C ATOM 876 C GLU A 53 -3.997 9.317 0.464 1.00 0.65 C ATOM 877 O GLU A 53 -5.111 8.828 0.265 1.00 0.78 O ATOM 878 CB GLU A 53 -3.788 11.816 0.614 1.00 0.72 C ATOM 879 CG GLU A 53 -2.560 11.974 -0.264 1.00 0.67 C ATOM 880 CD GLU A 53 -2.833 12.795 -1.503 1.00 0.81 C ATOM 881 OE1 GLU A 53 -3.248 12.209 -2.524 1.00 1.35 O ATOM 882 OE2 GLU A 53 -2.649 14.027 -1.455 1.00 1.26 O ATOM 0 H GLU A 53 -1.800 10.866 1.859 1.00 0.64 H new ATOM 0 HA GLU A 53 -4.672 10.530 2.091 1.00 0.68 H new ATOM 0 HB2 GLU A 53 -4.679 11.871 -0.012 1.00 0.72 H new ATOM 0 HB3 GLU A 53 -3.835 12.654 1.310 1.00 0.72 H new ATOM 0 HG2 GLU A 53 -1.764 12.446 0.312 1.00 0.67 H new ATOM 0 HG3 GLU A 53 -2.199 10.988 -0.558 1.00 0.67 H new ATOM 889 N GLN A 54 -2.892 8.847 -0.099 1.00 0.57 N ATOM 890 CA GLN A 54 -2.920 7.725 -1.031 1.00 0.58 C ATOM 891 C GLN A 54 -2.990 6.394 -0.292 1.00 0.57 C ATOM 892 O GLN A 54 -3.217 5.347 -0.898 1.00 0.60 O ATOM 893 CB GLN A 54 -1.686 7.755 -1.934 1.00 0.57 C ATOM 894 CG GLN A 54 -1.697 8.882 -2.962 1.00 0.64 C ATOM 895 CD GLN A 54 -2.908 8.835 -3.874 1.00 0.81 C ATOM 896 OE1 GLN A 54 -2.933 8.095 -4.856 1.00 1.13 O ATOM 897 NE2 GLN A 54 -3.904 9.651 -3.578 1.00 0.96 N ATOM 0 H GLN A 54 -1.961 9.226 0.074 1.00 0.57 H new ATOM 0 HA GLN A 54 -3.816 7.822 -1.644 1.00 0.58 H new ATOM 0 HB2 GLN A 54 -0.796 7.853 -1.312 1.00 0.57 H new ATOM 0 HB3 GLN A 54 -1.607 6.801 -2.456 1.00 0.57 H new ATOM 0 HG2 GLN A 54 -1.676 9.841 -2.444 1.00 0.64 H new ATOM 0 HG3 GLN A 54 -0.791 8.826 -3.566 1.00 0.64 H new ATOM 0 HE21 GLN A 54 -3.845 10.250 -2.754 1.00 0.96 H new ATOM 0 HE22 GLN A 54 -4.732 9.682 -4.173 1.00 0.96 H new ATOM 906 N ALA A 55 -2.795 6.445 1.020 1.00 0.58 N ATOM 907 CA ALA A 55 -2.836 5.251 1.853 1.00 0.60 C ATOM 908 C ALA A 55 -4.177 4.543 1.737 1.00 0.61 C ATOM 909 O ALA A 55 -5.228 5.189 1.671 1.00 0.68 O ATOM 910 CB ALA A 55 -2.568 5.615 3.302 1.00 0.65 C ATOM 0 H ALA A 55 -2.606 7.307 1.532 1.00 0.58 H new ATOM 0 HA ALA A 55 -2.060 4.570 1.502 1.00 0.60 H new ATOM 0 HB1 ALA A 55 -2.601 4.715 3.915 1.00 0.65 H new ATOM 0 HB2 ALA A 55 -1.583 6.075 3.385 1.00 0.65 H new ATOM 0 HB3 ALA A 55 -3.327 6.317 3.647 1.00 0.65 H new ATOM 916 N GLY A 56 -4.134 3.218 1.697 1.00 0.59 N ATOM 917 CA GLY A 56 -5.348 2.434 1.592 1.00 0.64 C ATOM 918 C GLY A 56 -5.796 2.236 0.156 1.00 0.62 C ATOM 919 O GLY A 56 -6.721 1.471 -0.113 1.00 0.66 O ATOM 0 H GLY A 56 -3.275 2.670 1.736 1.00 0.59 H new ATOM 0 HA2 GLY A 56 -5.188 1.461 2.056 1.00 0.64 H new ATOM 0 HA3 GLY A 56 -6.143 2.927 2.152 1.00 0.64 H new ATOM 923 N GLY A 57 -5.138 2.920 -0.770 1.00 0.63 N ATOM 924 CA GLY A 57 -5.494 2.803 -2.165 1.00 0.65 C ATOM 925 C GLY A 57 -4.290 2.640 -3.060 1.00 0.59 C ATOM 926 O GLY A 57 -3.147 2.690 -2.596 1.00 0.55 O ATOM 0 H GLY A 57 -4.363 3.554 -0.577 1.00 0.63 H new ATOM 0 HA2 GLY A 57 -6.158 1.948 -2.296 1.00 0.65 H new ATOM 0 HA3 GLY A 57 -6.051 3.689 -2.469 1.00 0.65 H new ATOM 930 N ASP A 58 -4.544 2.435 -4.340 1.00 0.65 N ATOM 931 CA ASP A 58 -3.476 2.271 -5.312 1.00 0.62 C ATOM 932 C ASP A 58 -2.982 3.634 -5.781 1.00 0.61 C ATOM 933 O ASP A 58 -3.779 4.488 -6.176 1.00 0.71 O ATOM 934 CB ASP A 58 -3.964 1.444 -6.508 1.00 0.69 C ATOM 935 CG ASP A 58 -2.861 1.138 -7.509 1.00 0.99 C ATOM 936 OD1 ASP A 58 -2.416 2.066 -8.217 1.00 1.51 O ATOM 937 OD2 ASP A 58 -2.437 -0.035 -7.609 1.00 1.32 O ATOM 0 H ASP A 58 -5.484 2.378 -4.732 1.00 0.65 H new ATOM 0 HA ASP A 58 -2.650 1.741 -4.838 1.00 0.62 H new ATOM 0 HB2 ASP A 58 -4.388 0.508 -6.146 1.00 0.69 H new ATOM 0 HB3 ASP A 58 -4.766 1.983 -7.013 1.00 0.69 H new ATOM 942 N ALA A 59 -1.677 3.838 -5.719 1.00 0.55 N ATOM 943 CA ALA A 59 -1.080 5.094 -6.140 1.00 0.57 C ATOM 944 C ALA A 59 -0.035 4.862 -7.222 1.00 0.54 C ATOM 945 O ALA A 59 0.910 5.641 -7.366 1.00 0.54 O ATOM 946 CB ALA A 59 -0.457 5.805 -4.953 1.00 0.60 C ATOM 0 H ALA A 59 -1.008 3.147 -5.380 1.00 0.55 H new ATOM 0 HA ALA A 59 -1.868 5.723 -6.554 1.00 0.57 H new ATOM 0 HB1 ALA A 59 -0.014 6.744 -5.283 1.00 0.60 H new ATOM 0 HB2 ALA A 59 -1.225 6.009 -4.207 1.00 0.60 H new ATOM 0 HB3 ALA A 59 0.316 5.173 -4.515 1.00 0.60 H new ATOM 952 N THR A 60 -0.213 3.796 -7.991 1.00 0.56 N ATOM 953 CA THR A 60 0.717 3.459 -9.059 1.00 0.57 C ATOM 954 C THR A 60 0.785 4.579 -10.090 1.00 0.57 C ATOM 955 O THR A 60 1.842 4.842 -10.664 1.00 0.58 O ATOM 956 CB THR A 60 0.311 2.147 -9.749 1.00 0.64 C ATOM 957 OG1 THR A 60 0.001 1.166 -8.757 1.00 0.67 O ATOM 958 CG2 THR A 60 1.426 1.628 -10.643 1.00 0.71 C ATOM 0 H THR A 60 -0.995 3.149 -7.894 1.00 0.56 H new ATOM 0 HA THR A 60 1.702 3.330 -8.610 1.00 0.57 H new ATOM 0 HB THR A 60 -0.563 2.342 -10.370 1.00 0.64 H new ATOM 0 HG1 THR A 60 -0.955 0.952 -8.796 1.00 0.67 H new ATOM 0 HG21 THR A 60 1.109 0.699 -11.117 1.00 0.71 H new ATOM 0 HG22 THR A 60 1.652 2.369 -11.410 1.00 0.71 H new ATOM 0 HG23 THR A 60 2.317 1.444 -10.043 1.00 0.71 H new ATOM 966 N GLU A 61 -0.344 5.253 -10.292 1.00 0.62 N ATOM 967 CA GLU A 61 -0.437 6.358 -11.241 1.00 0.67 C ATOM 968 C GLU A 61 0.574 7.453 -10.906 1.00 0.63 C ATOM 969 O GLU A 61 1.165 8.060 -11.798 1.00 0.74 O ATOM 970 CB GLU A 61 -1.852 6.940 -11.245 1.00 0.78 C ATOM 971 CG GLU A 61 -2.554 6.850 -9.898 1.00 0.83 C ATOM 972 CD GLU A 61 -3.882 7.578 -9.880 1.00 1.06 C ATOM 973 OE1 GLU A 61 -4.801 7.175 -10.627 1.00 1.64 O ATOM 974 OE2 GLU A 61 -4.014 8.558 -9.119 1.00 1.48 O ATOM 0 H GLU A 61 -1.217 5.050 -9.805 1.00 0.62 H new ATOM 0 HA GLU A 61 -0.209 5.969 -12.233 1.00 0.67 H new ATOM 0 HB2 GLU A 61 -1.805 7.985 -11.551 1.00 0.78 H new ATOM 0 HB3 GLU A 61 -2.449 6.416 -11.992 1.00 0.78 H new ATOM 0 HG2 GLU A 61 -2.716 5.802 -9.647 1.00 0.83 H new ATOM 0 HG3 GLU A 61 -1.906 7.266 -9.127 1.00 0.83 H new ATOM 981 N ASN A 62 0.769 7.694 -9.614 1.00 0.56 N ATOM 982 CA ASN A 62 1.713 8.707 -9.153 1.00 0.55 C ATOM 983 C ASN A 62 3.136 8.150 -9.168 1.00 0.50 C ATOM 984 O ASN A 62 4.083 8.831 -9.557 1.00 0.50 O ATOM 985 CB ASN A 62 1.350 9.164 -7.736 1.00 0.58 C ATOM 986 CG ASN A 62 1.816 10.580 -7.434 1.00 0.82 C ATOM 987 OD1 ASN A 62 2.984 10.812 -7.119 1.00 1.28 O ATOM 988 ND2 ASN A 62 0.898 11.534 -7.500 1.00 1.32 N ATOM 0 H ASN A 62 0.284 7.200 -8.865 1.00 0.56 H new ATOM 0 HA ASN A 62 1.660 9.562 -9.827 1.00 0.55 H new ATOM 0 HB2 ASN A 62 0.269 9.107 -7.607 1.00 0.58 H new ATOM 0 HB3 ASN A 62 1.794 8.479 -7.014 1.00 0.58 H new ATOM 0 HD21 ASN A 62 1.149 12.499 -7.286 1.00 1.32 H new ATOM 0 HD22 ASN A 62 -0.060 11.303 -7.765 1.00 1.32 H new ATOM 995 N PHE A 63 3.261 6.890 -8.765 1.00 0.48 N ATOM 996 CA PHE A 63 4.549 6.204 -8.710 1.00 0.46 C ATOM 997 C PHE A 63 5.256 6.234 -10.067 1.00 0.49 C ATOM 998 O PHE A 63 6.432 6.603 -10.160 1.00 0.50 O ATOM 999 CB PHE A 63 4.331 4.755 -8.262 1.00 0.48 C ATOM 1000 CG PHE A 63 5.586 4.013 -7.913 1.00 0.51 C ATOM 1001 CD1 PHE A 63 6.076 4.040 -6.619 1.00 0.63 C ATOM 1002 CD2 PHE A 63 6.264 3.276 -8.867 1.00 0.70 C ATOM 1003 CE1 PHE A 63 7.221 3.349 -6.282 1.00 0.76 C ATOM 1004 CE2 PHE A 63 7.411 2.579 -8.537 1.00 0.77 C ATOM 1005 CZ PHE A 63 7.891 2.616 -7.241 1.00 0.73 C ATOM 0 H PHE A 63 2.473 6.315 -8.467 1.00 0.48 H new ATOM 0 HA PHE A 63 5.187 6.721 -7.993 1.00 0.46 H new ATOM 0 HB2 PHE A 63 3.670 4.752 -7.395 1.00 0.48 H new ATOM 0 HB3 PHE A 63 3.816 4.216 -9.057 1.00 0.48 H new ATOM 0 HD1 PHE A 63 5.555 4.609 -5.863 1.00 0.63 H new ATOM 0 HD2 PHE A 63 5.893 3.245 -9.881 1.00 0.70 H new ATOM 0 HE1 PHE A 63 7.593 3.381 -5.269 1.00 0.76 H new ATOM 0 HE2 PHE A 63 7.931 2.006 -9.290 1.00 0.77 H new ATOM 0 HZ PHE A 63 8.787 2.073 -6.980 1.00 0.73 H new ATOM 1015 N GLU A 64 4.528 5.858 -11.113 1.00 0.53 N ATOM 1016 CA GLU A 64 5.080 5.821 -12.463 1.00 0.58 C ATOM 1017 C GLU A 64 5.278 7.228 -13.022 1.00 0.57 C ATOM 1018 O GLU A 64 6.162 7.457 -13.848 1.00 0.65 O ATOM 1019 CB GLU A 64 4.162 5.012 -13.385 1.00 0.69 C ATOM 1020 CG GLU A 64 2.745 5.555 -13.459 1.00 1.08 C ATOM 1021 CD GLU A 64 1.813 4.681 -14.272 1.00 1.47 C ATOM 1022 OE1 GLU A 64 2.073 3.464 -14.380 1.00 1.88 O ATOM 1023 OE2 GLU A 64 0.811 5.207 -14.806 1.00 1.89 O ATOM 0 H GLU A 64 3.550 5.573 -11.051 1.00 0.53 H new ATOM 0 HA GLU A 64 6.056 5.339 -12.414 1.00 0.58 H new ATOM 0 HB2 GLU A 64 4.589 4.997 -14.388 1.00 0.69 H new ATOM 0 HB3 GLU A 64 4.129 3.980 -13.037 1.00 0.69 H new ATOM 0 HG2 GLU A 64 2.348 5.657 -12.449 1.00 1.08 H new ATOM 0 HG3 GLU A 64 2.768 6.554 -13.894 1.00 1.08 H new ATOM 1030 N ASP A 65 4.467 8.164 -12.555 1.00 0.54 N ATOM 1031 CA ASP A 65 4.541 9.548 -13.014 1.00 0.55 C ATOM 1032 C ASP A 65 5.809 10.221 -12.501 1.00 0.53 C ATOM 1033 O ASP A 65 6.524 10.885 -13.254 1.00 0.58 O ATOM 1034 CB ASP A 65 3.308 10.325 -12.553 1.00 0.57 C ATOM 1035 CG ASP A 65 3.321 11.765 -13.018 1.00 0.69 C ATOM 1036 OD1 ASP A 65 2.917 12.027 -14.172 1.00 0.88 O ATOM 1037 OD2 ASP A 65 3.723 12.644 -12.230 1.00 0.79 O ATOM 0 H ASP A 65 3.745 7.992 -11.855 1.00 0.54 H new ATOM 0 HA ASP A 65 4.570 9.546 -14.104 1.00 0.55 H new ATOM 0 HB2 ASP A 65 2.411 9.833 -12.930 1.00 0.57 H new ATOM 0 HB3 ASP A 65 3.252 10.299 -11.465 1.00 0.57 H new ATOM 1042 N VAL A 66 6.086 10.042 -11.218 1.00 0.50 N ATOM 1043 CA VAL A 66 7.268 10.625 -10.599 1.00 0.52 C ATOM 1044 C VAL A 66 8.540 9.993 -11.157 1.00 0.50 C ATOM 1045 O VAL A 66 9.470 10.689 -11.563 1.00 0.55 O ATOM 1046 CB VAL A 66 7.240 10.451 -9.066 1.00 0.56 C ATOM 1047 CG1 VAL A 66 8.544 10.927 -8.439 1.00 0.67 C ATOM 1048 CG2 VAL A 66 6.062 11.205 -8.470 1.00 0.60 C ATOM 0 H VAL A 66 5.505 9.495 -10.582 1.00 0.50 H new ATOM 0 HA VAL A 66 7.264 11.690 -10.832 1.00 0.52 H new ATOM 0 HB VAL A 66 7.125 9.389 -8.847 1.00 0.56 H new ATOM 0 HG11 VAL A 66 8.498 10.793 -7.358 1.00 0.67 H new ATOM 0 HG12 VAL A 66 9.374 10.347 -8.841 1.00 0.67 H new ATOM 0 HG13 VAL A 66 8.694 11.982 -8.668 1.00 0.67 H new ATOM 0 HG21 VAL A 66 6.055 11.073 -7.388 1.00 0.60 H new ATOM 0 HG22 VAL A 66 6.152 12.265 -8.706 1.00 0.60 H new ATOM 0 HG23 VAL A 66 5.133 10.818 -8.888 1.00 0.60 H new ATOM 1058 N GLY A 67 8.564 8.666 -11.187 1.00 0.50 N ATOM 1059 CA GLY A 67 9.725 7.963 -11.689 1.00 0.54 C ATOM 1060 C GLY A 67 10.732 7.684 -10.598 1.00 0.54 C ATOM 1061 O GLY A 67 11.653 8.471 -10.370 1.00 0.82 O ATOM 0 H GLY A 67 7.801 8.067 -10.873 1.00 0.50 H new ATOM 0 HA2 GLY A 67 9.412 7.023 -12.142 1.00 0.54 H new ATOM 0 HA3 GLY A 67 10.196 8.554 -12.474 1.00 0.54 H new ATOM 1065 N HIS A 68 10.549 6.569 -9.909 1.00 0.45 N ATOM 1066 CA HIS A 68 11.449 6.186 -8.833 1.00 0.42 C ATOM 1067 C HIS A 68 12.723 5.588 -9.420 1.00 0.47 C ATOM 1068 O HIS A 68 12.675 4.917 -10.452 1.00 0.58 O ATOM 1069 CB HIS A 68 10.771 5.187 -7.893 1.00 0.39 C ATOM 1070 CG HIS A 68 9.794 5.817 -6.943 1.00 0.36 C ATOM 1071 ND1 HIS A 68 8.729 6.599 -7.339 1.00 0.35 N ATOM 1072 CD2 HIS A 68 9.743 5.774 -5.586 1.00 0.41 C ATOM 1073 CE1 HIS A 68 8.082 7.000 -6.239 1.00 0.35 C ATOM 1074 NE2 HIS A 68 8.656 6.528 -5.151 1.00 0.40 N ATOM 0 H HIS A 68 9.786 5.913 -10.076 1.00 0.45 H new ATOM 0 HA HIS A 68 11.706 7.073 -8.254 1.00 0.42 H new ATOM 0 HB2 HIS A 68 10.252 4.436 -8.489 1.00 0.39 H new ATOM 0 HB3 HIS A 68 11.537 4.665 -7.319 1.00 0.39 H new ATOM 0 HD1 HIS A 68 8.479 6.831 -8.300 1.00 0.35 H new ATOM 0 HD2 HIS A 68 10.433 5.242 -4.948 1.00 0.41 H new ATOM 0 HE1 HIS A 68 7.204 7.629 -6.242 1.00 0.35 H new ATOM 1082 N SER A 69 13.853 5.845 -8.777 1.00 0.45 N ATOM 1083 CA SER A 69 15.131 5.330 -9.246 1.00 0.50 C ATOM 1084 C SER A 69 15.173 3.801 -9.175 1.00 0.50 C ATOM 1085 O SER A 69 14.426 3.181 -8.410 1.00 0.46 O ATOM 1086 CB SER A 69 16.263 5.935 -8.422 1.00 0.55 C ATOM 1087 OG SER A 69 16.126 7.342 -8.330 1.00 1.01 O ATOM 0 H SER A 69 13.911 6.408 -7.928 1.00 0.45 H new ATOM 0 HA SER A 69 15.256 5.615 -10.291 1.00 0.50 H new ATOM 0 HB2 SER A 69 16.263 5.500 -7.423 1.00 0.55 H new ATOM 0 HB3 SER A 69 17.222 5.688 -8.878 1.00 0.55 H new ATOM 0 HG SER A 69 15.430 7.561 -7.676 1.00 1.01 H new ATOM 1093 N THR A 70 16.058 3.206 -9.969 1.00 0.59 N ATOM 1094 CA THR A 70 16.208 1.759 -10.025 1.00 0.64 C ATOM 1095 C THR A 70 16.494 1.165 -8.644 1.00 0.61 C ATOM 1096 O THR A 70 15.938 0.131 -8.278 1.00 0.66 O ATOM 1097 CB THR A 70 17.339 1.382 -10.991 1.00 0.78 C ATOM 1098 OG1 THR A 70 17.668 2.515 -11.808 1.00 0.89 O ATOM 1099 CG2 THR A 70 16.930 0.217 -11.878 1.00 1.08 C ATOM 0 H THR A 70 16.689 3.713 -10.589 1.00 0.59 H new ATOM 0 HA THR A 70 15.265 1.345 -10.383 1.00 0.64 H new ATOM 0 HB THR A 70 18.208 1.081 -10.406 1.00 0.78 H new ATOM 0 HG1 THR A 70 18.392 2.275 -12.424 1.00 0.89 H new ATOM 0 HG21 THR A 70 17.749 -0.031 -12.554 1.00 1.08 H new ATOM 0 HG22 THR A 70 16.697 -0.648 -11.258 1.00 1.08 H new ATOM 0 HG23 THR A 70 16.051 0.494 -12.460 1.00 1.08 H new ATOM 1107 N ASP A 71 17.345 1.830 -7.873 1.00 0.60 N ATOM 1108 CA ASP A 71 17.688 1.354 -6.534 1.00 0.61 C ATOM 1109 C ASP A 71 16.505 1.495 -5.580 1.00 0.54 C ATOM 1110 O ASP A 71 16.287 0.646 -4.708 1.00 0.56 O ATOM 1111 CB ASP A 71 18.890 2.124 -5.981 1.00 0.70 C ATOM 1112 CG ASP A 71 19.243 1.698 -4.569 1.00 0.97 C ATOM 1113 OD1 ASP A 71 19.828 0.605 -4.400 1.00 1.38 O ATOM 1114 OD2 ASP A 71 18.941 2.450 -3.621 1.00 1.29 O ATOM 0 H ASP A 71 17.809 2.696 -8.147 1.00 0.60 H new ATOM 0 HA ASP A 71 17.945 0.298 -6.615 1.00 0.61 H new ATOM 0 HB2 ASP A 71 19.750 1.967 -6.632 1.00 0.70 H new ATOM 0 HB3 ASP A 71 18.672 3.192 -5.993 1.00 0.70 H new ATOM 1119 N ALA A 72 15.729 2.557 -5.773 1.00 0.48 N ATOM 1120 CA ALA A 72 14.568 2.835 -4.935 1.00 0.44 C ATOM 1121 C ALA A 72 13.507 1.749 -5.069 1.00 0.42 C ATOM 1122 O ALA A 72 12.989 1.261 -4.067 1.00 0.43 O ATOM 1123 CB ALA A 72 13.978 4.196 -5.280 1.00 0.47 C ATOM 0 H ALA A 72 15.886 3.245 -6.510 1.00 0.48 H new ATOM 0 HA ALA A 72 14.903 2.846 -3.898 1.00 0.44 H new ATOM 0 HB1 ALA A 72 13.112 4.389 -4.646 1.00 0.47 H new ATOM 0 HB2 ALA A 72 14.728 4.970 -5.115 1.00 0.47 H new ATOM 0 HB3 ALA A 72 13.671 4.205 -6.326 1.00 0.47 H new ATOM 1129 N ARG A 73 13.201 1.358 -6.303 1.00 0.44 N ATOM 1130 CA ARG A 73 12.188 0.332 -6.544 1.00 0.48 C ATOM 1131 C ARG A 73 12.650 -1.043 -6.055 1.00 0.49 C ATOM 1132 O ARG A 73 11.838 -1.948 -5.871 1.00 0.56 O ATOM 1133 CB ARG A 73 11.795 0.281 -8.028 1.00 0.54 C ATOM 1134 CG ARG A 73 12.957 0.074 -8.990 1.00 0.68 C ATOM 1135 CD ARG A 73 13.062 -1.374 -9.448 1.00 0.74 C ATOM 1136 NE ARG A 73 11.940 -1.774 -10.296 1.00 0.90 N ATOM 1137 CZ ARG A 73 11.414 -3.000 -10.300 1.00 1.08 C ATOM 1138 NH1 ARG A 73 11.907 -3.952 -9.521 1.00 1.08 N ATOM 1139 NH2 ARG A 73 10.398 -3.277 -11.098 1.00 1.36 N ATOM 0 H ARG A 73 13.636 1.732 -7.147 1.00 0.44 H new ATOM 0 HA ARG A 73 11.304 0.607 -5.968 1.00 0.48 H new ATOM 0 HB2 ARG A 73 11.075 -0.525 -8.171 1.00 0.54 H new ATOM 0 HB3 ARG A 73 11.288 1.211 -8.287 1.00 0.54 H new ATOM 0 HG2 ARG A 73 12.830 0.721 -9.858 1.00 0.68 H new ATOM 0 HG3 ARG A 73 13.887 0.370 -8.505 1.00 0.68 H new ATOM 0 HD2 ARG A 73 13.995 -1.512 -9.995 1.00 0.74 H new ATOM 0 HD3 ARG A 73 13.105 -2.026 -8.575 1.00 0.74 H new ATOM 0 HE ARG A 73 11.536 -1.076 -10.920 1.00 0.90 H new ATOM 0 HH11 ARG A 73 12.698 -3.751 -8.909 1.00 1.08 H new ATOM 0 HH12 ARG A 73 11.496 -4.885 -9.534 1.00 1.08 H new ATOM 0 HH21 ARG A 73 10.018 -2.554 -11.709 1.00 1.36 H new ATOM 0 HH22 ARG A 73 9.994 -4.214 -11.103 1.00 1.36 H new ATOM 1153 N GLU A 74 13.952 -1.195 -5.839 1.00 0.47 N ATOM 1154 CA GLU A 74 14.496 -2.459 -5.354 1.00 0.51 C ATOM 1155 C GLU A 74 14.453 -2.498 -3.831 1.00 0.49 C ATOM 1156 O GLU A 74 14.508 -3.566 -3.218 1.00 0.55 O ATOM 1157 CB GLU A 74 15.929 -2.663 -5.857 1.00 0.57 C ATOM 1158 CG GLU A 74 16.013 -2.934 -7.351 1.00 0.65 C ATOM 1159 CD GLU A 74 15.154 -4.104 -7.781 1.00 0.75 C ATOM 1160 OE1 GLU A 74 13.914 -3.961 -7.817 1.00 0.84 O ATOM 1161 OE2 GLU A 74 15.713 -5.178 -8.092 1.00 1.01 O ATOM 0 H GLU A 74 14.647 -0.464 -5.991 1.00 0.47 H new ATOM 0 HA GLU A 74 13.883 -3.272 -5.743 1.00 0.51 H new ATOM 0 HB2 GLU A 74 16.518 -1.776 -5.623 1.00 0.57 H new ATOM 0 HB3 GLU A 74 16.380 -3.497 -5.318 1.00 0.57 H new ATOM 0 HG2 GLU A 74 15.704 -2.042 -7.896 1.00 0.65 H new ATOM 0 HG3 GLU A 74 17.050 -3.131 -7.623 1.00 0.65 H new ATOM 1168 N LEU A 75 14.344 -1.321 -3.227 1.00 0.47 N ATOM 1169 CA LEU A 75 14.278 -1.205 -1.777 1.00 0.48 C ATOM 1170 C LEU A 75 12.867 -1.519 -1.294 1.00 0.43 C ATOM 1171 O LEU A 75 12.664 -1.964 -0.164 1.00 0.44 O ATOM 1172 CB LEU A 75 14.685 0.207 -1.337 1.00 0.53 C ATOM 1173 CG LEU A 75 14.766 0.425 0.178 1.00 0.56 C ATOM 1174 CD1 LEU A 75 15.897 -0.397 0.779 1.00 0.65 C ATOM 1175 CD2 LEU A 75 14.951 1.899 0.495 1.00 0.61 C ATOM 0 H LEU A 75 14.299 -0.430 -3.722 1.00 0.47 H new ATOM 0 HA LEU A 75 14.971 -1.921 -1.335 1.00 0.48 H new ATOM 0 HB2 LEU A 75 15.657 0.439 -1.773 1.00 0.53 H new ATOM 0 HB3 LEU A 75 13.971 0.919 -1.752 1.00 0.53 H new ATOM 0 HG LEU A 75 13.828 0.092 0.622 1.00 0.56 H new ATOM 0 HD11 LEU A 75 15.938 -0.228 1.855 1.00 0.65 H new ATOM 0 HD12 LEU A 75 15.721 -1.455 0.584 1.00 0.65 H new ATOM 0 HD13 LEU A 75 16.843 -0.098 0.329 1.00 0.65 H new ATOM 0 HD21 LEU A 75 15.006 2.035 1.575 1.00 0.61 H new ATOM 0 HD22 LEU A 75 15.873 2.257 0.037 1.00 0.61 H new ATOM 0 HD23 LEU A 75 14.107 2.465 0.101 1.00 0.61 H new ATOM 1187 N SER A 76 11.897 -1.303 -2.174 1.00 0.45 N ATOM 1188 CA SER A 76 10.498 -1.552 -1.861 1.00 0.46 C ATOM 1189 C SER A 76 10.232 -3.046 -1.684 1.00 0.43 C ATOM 1190 O SER A 76 9.213 -3.443 -1.118 1.00 0.45 O ATOM 1191 CB SER A 76 9.611 -0.980 -2.968 1.00 0.55 C ATOM 1192 OG SER A 76 10.276 0.072 -3.649 1.00 0.82 O ATOM 0 H SER A 76 12.058 -0.953 -3.118 1.00 0.45 H new ATOM 0 HA SER A 76 10.261 -1.057 -0.919 1.00 0.46 H new ATOM 0 HB2 SER A 76 9.348 -1.768 -3.674 1.00 0.55 H new ATOM 0 HB3 SER A 76 8.679 -0.611 -2.540 1.00 0.55 H new ATOM 0 HG SER A 76 9.694 0.424 -4.354 1.00 0.82 H new ATOM 1198 N LYS A 77 11.166 -3.875 -2.143 1.00 0.45 N ATOM 1199 CA LYS A 77 11.027 -5.323 -2.030 1.00 0.51 C ATOM 1200 C LYS A 77 11.112 -5.764 -0.566 1.00 0.47 C ATOM 1201 O LYS A 77 10.770 -6.895 -0.222 1.00 0.56 O ATOM 1202 CB LYS A 77 12.099 -6.032 -2.863 1.00 0.63 C ATOM 1203 CG LYS A 77 11.784 -7.495 -3.138 1.00 0.94 C ATOM 1204 CD LYS A 77 12.942 -8.197 -3.819 1.00 1.20 C ATOM 1205 CE LYS A 77 12.774 -9.707 -3.763 1.00 1.60 C ATOM 1206 NZ LYS A 77 13.977 -10.425 -4.250 1.00 1.89 N ATOM 0 H LYS A 77 12.027 -3.568 -2.596 1.00 0.45 H new ATOM 0 HA LYS A 77 10.046 -5.601 -2.416 1.00 0.51 H new ATOM 0 HB2 LYS A 77 12.215 -5.509 -3.812 1.00 0.63 H new ATOM 0 HB3 LYS A 77 13.055 -5.966 -2.343 1.00 0.63 H new ATOM 0 HG2 LYS A 77 11.552 -8.000 -2.200 1.00 0.94 H new ATOM 0 HG3 LYS A 77 10.896 -7.565 -3.766 1.00 0.94 H new ATOM 0 HD2 LYS A 77 13.008 -7.873 -4.858 1.00 1.20 H new ATOM 0 HD3 LYS A 77 13.878 -7.914 -3.337 1.00 1.20 H new ATOM 0 HE2 LYS A 77 12.564 -10.009 -2.737 1.00 1.60 H new ATOM 0 HE3 LYS A 77 11.912 -9.997 -4.364 1.00 1.60 H new ATOM 0 HZ1 LYS A 77 13.816 -11.451 -4.193 1.00 1.89 H new ATOM 0 HZ2 LYS A 77 14.164 -10.158 -5.238 1.00 1.89 H new ATOM 0 HZ3 LYS A 77 14.796 -10.170 -3.661 1.00 1.89 H new ATOM 1220 N THR A 78 11.574 -4.874 0.296 1.00 0.42 N ATOM 1221 CA THR A 78 11.675 -5.176 1.711 1.00 0.48 C ATOM 1222 C THR A 78 10.452 -4.645 2.459 1.00 0.43 C ATOM 1223 O THR A 78 10.222 -4.984 3.619 1.00 0.53 O ATOM 1224 CB THR A 78 12.964 -4.570 2.297 1.00 0.59 C ATOM 1225 OG1 THR A 78 14.060 -4.841 1.413 1.00 0.84 O ATOM 1226 CG2 THR A 78 13.280 -5.142 3.672 1.00 0.63 C ATOM 0 H THR A 78 11.885 -3.937 0.039 1.00 0.42 H new ATOM 0 HA THR A 78 11.712 -6.259 1.832 1.00 0.48 H new ATOM 0 HB THR A 78 12.813 -3.496 2.402 1.00 0.59 H new ATOM 0 HG1 THR A 78 14.881 -4.455 1.783 1.00 0.84 H new ATOM 0 HG21 THR A 78 14.196 -4.690 4.052 1.00 0.63 H new ATOM 0 HG22 THR A 78 12.458 -4.925 4.354 1.00 0.63 H new ATOM 0 HG23 THR A 78 13.412 -6.221 3.595 1.00 0.63 H new ATOM 1234 N PHE A 79 9.648 -3.836 1.776 1.00 0.36 N ATOM 1235 CA PHE A 79 8.461 -3.252 2.390 1.00 0.38 C ATOM 1236 C PHE A 79 7.185 -3.959 1.936 1.00 0.32 C ATOM 1237 O PHE A 79 6.096 -3.663 2.425 1.00 0.33 O ATOM 1238 CB PHE A 79 8.376 -1.755 2.077 1.00 0.46 C ATOM 1239 CG PHE A 79 9.491 -0.946 2.686 1.00 0.51 C ATOM 1240 CD1 PHE A 79 9.696 -0.944 4.058 1.00 1.10 C ATOM 1241 CD2 PHE A 79 10.331 -0.187 1.887 1.00 0.96 C ATOM 1242 CE1 PHE A 79 10.721 -0.201 4.619 1.00 1.16 C ATOM 1243 CE2 PHE A 79 11.355 0.557 2.441 1.00 1.01 C ATOM 1244 CZ PHE A 79 11.550 0.551 3.807 1.00 0.70 C ATOM 0 H PHE A 79 9.796 -3.571 0.802 1.00 0.36 H new ATOM 0 HA PHE A 79 8.551 -3.385 3.468 1.00 0.38 H new ATOM 0 HB2 PHE A 79 8.388 -1.617 0.996 1.00 0.46 H new ATOM 0 HB3 PHE A 79 7.422 -1.371 2.437 1.00 0.46 H new ATOM 0 HD1 PHE A 79 9.049 -1.528 4.696 1.00 1.10 H new ATOM 0 HD2 PHE A 79 10.183 -0.177 0.817 1.00 0.96 H new ATOM 0 HE1 PHE A 79 10.873 -0.209 5.688 1.00 1.16 H new ATOM 0 HE2 PHE A 79 12.002 1.143 1.805 1.00 1.01 H new ATOM 0 HZ PHE A 79 12.349 1.133 4.242 1.00 0.70 H new ATOM 1254 N ILE A 80 7.313 -4.892 1.003 1.00 0.38 N ATOM 1255 CA ILE A 80 6.151 -5.621 0.513 1.00 0.36 C ATOM 1256 C ILE A 80 5.865 -6.828 1.403 1.00 0.33 C ATOM 1257 O ILE A 80 6.709 -7.708 1.570 1.00 0.42 O ATOM 1258 CB ILE A 80 6.319 -6.068 -0.963 1.00 0.46 C ATOM 1259 CG1 ILE A 80 5.132 -6.933 -1.402 1.00 0.46 C ATOM 1260 CG2 ILE A 80 7.632 -6.810 -1.169 1.00 0.58 C ATOM 1261 CD1 ILE A 80 5.148 -7.294 -2.875 1.00 0.72 C ATOM 0 H ILE A 80 8.199 -5.160 0.574 1.00 0.38 H new ATOM 0 HA ILE A 80 5.302 -4.938 0.551 1.00 0.36 H new ATOM 0 HB ILE A 80 6.342 -5.173 -1.584 1.00 0.46 H new ATOM 0 HG12 ILE A 80 5.126 -7.850 -0.813 1.00 0.46 H new ATOM 0 HG13 ILE A 80 4.206 -6.403 -1.177 1.00 0.46 H new ATOM 0 HG21 ILE A 80 7.720 -7.110 -2.213 1.00 0.58 H new ATOM 0 HG22 ILE A 80 8.464 -6.156 -0.908 1.00 0.58 H new ATOM 0 HG23 ILE A 80 7.653 -7.696 -0.534 1.00 0.58 H new ATOM 0 HD11 ILE A 80 4.277 -7.906 -3.109 1.00 0.72 H new ATOM 0 HD12 ILE A 80 5.122 -6.383 -3.473 1.00 0.72 H new ATOM 0 HD13 ILE A 80 6.056 -7.852 -3.103 1.00 0.72 H new ATOM 1273 N ILE A 81 4.680 -6.849 1.996 1.00 0.28 N ATOM 1274 CA ILE A 81 4.292 -7.944 2.872 1.00 0.32 C ATOM 1275 C ILE A 81 3.248 -8.837 2.210 1.00 0.29 C ATOM 1276 O ILE A 81 2.984 -9.948 2.671 1.00 0.31 O ATOM 1277 CB ILE A 81 3.745 -7.446 4.231 1.00 0.42 C ATOM 1278 CG1 ILE A 81 2.388 -6.728 4.068 1.00 0.50 C ATOM 1279 CG2 ILE A 81 4.765 -6.542 4.913 1.00 0.43 C ATOM 1280 CD1 ILE A 81 2.488 -5.254 3.711 1.00 0.77 C ATOM 0 H ILE A 81 3.973 -6.122 1.887 1.00 0.28 H new ATOM 0 HA ILE A 81 5.199 -8.519 3.058 1.00 0.32 H new ATOM 0 HB ILE A 81 3.575 -8.316 4.865 1.00 0.42 H new ATOM 0 HG12 ILE A 81 1.814 -7.237 3.294 1.00 0.50 H new ATOM 0 HG13 ILE A 81 1.827 -6.825 4.997 1.00 0.50 H new ATOM 0 HG21 ILE A 81 4.366 -6.199 5.868 1.00 0.43 H new ATOM 0 HG22 ILE A 81 5.687 -7.098 5.083 1.00 0.43 H new ATOM 0 HG23 ILE A 81 4.972 -5.682 4.276 1.00 0.43 H new ATOM 0 HD11 ILE A 81 1.487 -4.834 3.617 1.00 0.77 H new ATOM 0 HD12 ILE A 81 3.031 -4.726 4.495 1.00 0.77 H new ATOM 0 HD13 ILE A 81 3.018 -5.144 2.765 1.00 0.77 H new ATOM 1292 N GLY A 82 2.659 -8.352 1.126 1.00 0.32 N ATOM 1293 CA GLY A 82 1.652 -9.123 0.433 1.00 0.35 C ATOM 1294 C GLY A 82 1.169 -8.452 -0.829 1.00 0.31 C ATOM 1295 O GLY A 82 1.669 -7.392 -1.212 1.00 0.34 O ATOM 0 H GLY A 82 2.861 -7.440 0.716 1.00 0.32 H new ATOM 0 HA2 GLY A 82 2.058 -10.104 0.185 1.00 0.35 H new ATOM 0 HA3 GLY A 82 0.805 -9.288 1.099 1.00 0.35 H new ATOM 1299 N GLU A 83 0.189 -9.066 -1.472 1.00 0.30 N ATOM 1300 CA GLU A 83 -0.370 -8.535 -2.702 1.00 0.31 C ATOM 1301 C GLU A 83 -1.879 -8.379 -2.574 1.00 0.32 C ATOM 1302 O GLU A 83 -2.475 -8.810 -1.584 1.00 0.34 O ATOM 1303 CB GLU A 83 -0.054 -9.454 -3.881 1.00 0.37 C ATOM 1304 CG GLU A 83 1.415 -9.495 -4.259 1.00 0.61 C ATOM 1305 CD GLU A 83 1.651 -10.187 -5.586 1.00 0.54 C ATOM 1306 OE1 GLU A 83 0.667 -10.672 -6.195 1.00 0.72 O ATOM 1307 OE2 GLU A 83 2.814 -10.239 -6.034 1.00 0.86 O ATOM 0 H GLU A 83 -0.237 -9.938 -1.159 1.00 0.30 H new ATOM 0 HA GLU A 83 0.081 -7.559 -2.882 1.00 0.31 H new ATOM 0 HB2 GLU A 83 -0.384 -10.464 -3.639 1.00 0.37 H new ATOM 0 HB3 GLU A 83 -0.632 -9.129 -4.746 1.00 0.37 H new ATOM 0 HG2 GLU A 83 1.803 -8.478 -4.309 1.00 0.61 H new ATOM 0 HG3 GLU A 83 1.974 -10.011 -3.479 1.00 0.61 H new ATOM 1314 N LEU A 84 -2.493 -7.766 -3.575 1.00 0.38 N ATOM 1315 CA LEU A 84 -3.930 -7.564 -3.574 1.00 0.44 C ATOM 1316 C LEU A 84 -4.636 -8.818 -4.075 1.00 0.40 C ATOM 1317 O LEU A 84 -4.124 -9.519 -4.954 1.00 0.39 O ATOM 1318 CB LEU A 84 -4.288 -6.357 -4.449 1.00 0.52 C ATOM 1319 CG LEU A 84 -5.440 -5.480 -3.936 1.00 0.49 C ATOM 1320 CD1 LEU A 84 -6.780 -6.021 -4.406 1.00 0.92 C ATOM 1321 CD2 LEU A 84 -5.415 -5.385 -2.416 1.00 0.87 C ATOM 0 H LEU A 84 -2.016 -7.400 -4.399 1.00 0.38 H new ATOM 0 HA LEU A 84 -4.262 -7.366 -2.555 1.00 0.44 H new ATOM 0 HB2 LEU A 84 -3.401 -5.733 -4.556 1.00 0.52 H new ATOM 0 HB3 LEU A 84 -4.546 -6.717 -5.445 1.00 0.52 H new ATOM 0 HG LEU A 84 -5.306 -4.479 -4.347 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -7.581 -5.384 -4.031 1.00 0.92 H new ATOM 0 HD12 LEU A 84 -6.806 -6.033 -5.496 1.00 0.92 H new ATOM 0 HD13 LEU A 84 -6.916 -7.035 -4.029 1.00 0.92 H new ATOM 0 HD21 LEU A 84 -6.240 -4.759 -2.077 1.00 0.87 H new ATOM 0 HD22 LEU A 84 -5.516 -6.382 -1.987 1.00 0.87 H new ATOM 0 HD23 LEU A 84 -4.471 -4.946 -2.094 1.00 0.87 H new ATOM 1333 N HIS A 85 -5.792 -9.099 -3.485 1.00 0.45 N ATOM 1334 CA HIS A 85 -6.612 -10.255 -3.840 1.00 0.48 C ATOM 1335 C HIS A 85 -6.815 -10.334 -5.360 1.00 0.42 C ATOM 1336 O HIS A 85 -7.197 -9.349 -5.987 1.00 0.39 O ATOM 1337 CB HIS A 85 -7.961 -10.133 -3.128 1.00 0.61 C ATOM 1338 CG HIS A 85 -8.673 -11.426 -2.908 1.00 0.52 C ATOM 1339 ND1 HIS A 85 -9.983 -11.622 -3.272 1.00 1.22 N ATOM 1340 CD2 HIS A 85 -8.264 -12.580 -2.337 1.00 0.80 C ATOM 1341 CE1 HIS A 85 -10.351 -12.843 -2.936 1.00 1.48 C ATOM 1342 NE2 HIS A 85 -9.326 -13.446 -2.364 1.00 1.10 N ATOM 0 H HIS A 85 -6.191 -8.527 -2.741 1.00 0.45 H new ATOM 0 HA HIS A 85 -6.107 -11.169 -3.526 1.00 0.48 H new ATOM 0 HB2 HIS A 85 -7.804 -9.652 -2.162 1.00 0.61 H new ATOM 0 HB3 HIS A 85 -8.605 -9.475 -3.711 1.00 0.61 H new ATOM 0 HD1 HIS A 85 -10.578 -10.932 -3.730 1.00 1.22 H new ATOM 0 HD2 HIS A 85 -7.283 -12.783 -1.934 1.00 0.80 H new ATOM 0 HE1 HIS A 85 -11.326 -13.276 -3.101 1.00 1.48 H new ATOM 1351 N PRO A 86 -6.557 -11.506 -5.973 1.00 0.45 N ATOM 1352 CA PRO A 86 -6.700 -11.697 -7.428 1.00 0.44 C ATOM 1353 C PRO A 86 -8.121 -11.439 -7.921 1.00 0.40 C ATOM 1354 O PRO A 86 -8.326 -10.833 -8.973 1.00 0.42 O ATOM 1355 CB PRO A 86 -6.319 -13.167 -7.649 1.00 0.53 C ATOM 1356 CG PRO A 86 -6.432 -13.809 -6.310 1.00 0.57 C ATOM 1357 CD PRO A 86 -6.102 -12.737 -5.309 1.00 0.53 C ATOM 0 HA PRO A 86 -6.076 -10.995 -7.981 1.00 0.44 H new ATOM 0 HB2 PRO A 86 -6.985 -13.642 -8.370 1.00 0.53 H new ATOM 0 HB3 PRO A 86 -5.307 -13.256 -8.043 1.00 0.53 H new ATOM 0 HG2 PRO A 86 -7.437 -14.199 -6.148 1.00 0.57 H new ATOM 0 HG3 PRO A 86 -5.745 -14.651 -6.221 1.00 0.57 H new ATOM 0 HD2 PRO A 86 -6.617 -12.898 -4.362 1.00 0.53 H new ATOM 0 HD3 PRO A 86 -5.035 -12.705 -5.090 1.00 0.53 H new ATOM 1365 N ASP A 87 -9.098 -11.876 -7.139 1.00 0.41 N ATOM 1366 CA ASP A 87 -10.505 -11.701 -7.486 1.00 0.43 C ATOM 1367 C ASP A 87 -10.918 -10.235 -7.354 1.00 0.41 C ATOM 1368 O ASP A 87 -12.024 -9.849 -7.739 1.00 0.47 O ATOM 1369 CB ASP A 87 -11.390 -12.574 -6.587 1.00 0.55 C ATOM 1370 CG ASP A 87 -11.038 -14.047 -6.668 1.00 0.94 C ATOM 1371 OD1 ASP A 87 -10.186 -14.503 -5.877 1.00 1.28 O ATOM 1372 OD2 ASP A 87 -11.614 -14.763 -7.515 1.00 1.30 O ATOM 0 H ASP A 87 -8.942 -12.358 -6.254 1.00 0.41 H new ATOM 0 HA ASP A 87 -10.638 -12.009 -8.523 1.00 0.43 H new ATOM 0 HB2 ASP A 87 -11.294 -12.238 -5.554 1.00 0.55 H new ATOM 0 HB3 ASP A 87 -12.434 -12.438 -6.871 1.00 0.55 H new ATOM 1377 N ASP A 88 -10.016 -9.424 -6.820 1.00 0.42 N ATOM 1378 CA ASP A 88 -10.273 -8.005 -6.626 1.00 0.50 C ATOM 1379 C ASP A 88 -9.458 -7.189 -7.617 1.00 0.49 C ATOM 1380 O ASP A 88 -9.394 -5.964 -7.531 1.00 0.64 O ATOM 1381 CB ASP A 88 -9.928 -7.582 -5.192 1.00 0.60 C ATOM 1382 CG ASP A 88 -10.848 -8.192 -4.151 1.00 0.89 C ATOM 1383 OD1 ASP A 88 -11.040 -9.429 -4.164 1.00 1.20 O ATOM 1384 OD2 ASP A 88 -11.367 -7.443 -3.298 1.00 1.22 O ATOM 0 H ASP A 88 -9.093 -9.728 -6.511 1.00 0.42 H new ATOM 0 HA ASP A 88 -11.334 -7.821 -6.795 1.00 0.50 H new ATOM 0 HB2 ASP A 88 -8.900 -7.870 -4.972 1.00 0.60 H new ATOM 0 HB3 ASP A 88 -9.977 -6.496 -5.119 1.00 0.60 H new ATOM 1389 N ARG A 89 -8.821 -7.881 -8.556 1.00 0.44 N ATOM 1390 CA ARG A 89 -8.018 -7.219 -9.573 1.00 0.51 C ATOM 1391 C ARG A 89 -8.789 -7.143 -10.883 1.00 0.57 C ATOM 1392 O ARG A 89 -9.220 -6.071 -11.301 1.00 0.80 O ATOM 1393 CB ARG A 89 -6.695 -7.955 -9.794 1.00 0.56 C ATOM 1394 CG ARG A 89 -5.780 -7.969 -8.582 1.00 0.89 C ATOM 1395 CD ARG A 89 -4.410 -8.522 -8.935 1.00 0.88 C ATOM 1396 NE ARG A 89 -3.703 -9.035 -7.766 1.00 0.60 N ATOM 1397 CZ ARG A 89 -2.391 -9.271 -7.734 1.00 0.59 C ATOM 1398 NH1 ARG A 89 -1.631 -8.981 -8.782 1.00 0.77 N ATOM 1399 NH2 ARG A 89 -1.845 -9.782 -6.641 1.00 0.81 N ATOM 0 H ARG A 89 -8.846 -8.898 -8.632 1.00 0.44 H new ATOM 0 HA ARG A 89 -7.797 -6.210 -9.224 1.00 0.51 H new ATOM 0 HB2 ARG A 89 -6.909 -8.983 -10.086 1.00 0.56 H new ATOM 0 HB3 ARG A 89 -6.168 -7.490 -10.627 1.00 0.56 H new ATOM 0 HG2 ARG A 89 -5.677 -6.957 -8.189 1.00 0.89 H new ATOM 0 HG3 ARG A 89 -6.227 -8.573 -7.793 1.00 0.89 H new ATOM 0 HD2 ARG A 89 -4.521 -9.320 -9.669 1.00 0.88 H new ATOM 0 HD3 ARG A 89 -3.814 -7.739 -9.403 1.00 0.88 H new ATOM 0 HE ARG A 89 -4.245 -9.224 -6.923 1.00 0.60 H new ATOM 0 HH11 ARG A 89 -2.050 -8.575 -9.619 1.00 0.77 H new ATOM 0 HH12 ARG A 89 -0.628 -9.164 -8.751 1.00 0.77 H new ATOM 0 HH21 ARG A 89 -2.427 -9.993 -5.831 1.00 0.81 H new ATOM 0 HH22 ARG A 89 -0.842 -9.965 -6.610 1.00 0.81 H new ATOM 1413 N SER A 90 -8.958 -8.289 -11.529 1.00 0.50 N ATOM 1414 CA SER A 90 -9.688 -8.354 -12.785 1.00 0.59 C ATOM 1415 C SER A 90 -11.019 -9.065 -12.576 1.00 0.57 C ATOM 1416 O SER A 90 -11.213 -10.188 -13.045 1.00 0.88 O ATOM 1417 CB SER A 90 -8.865 -9.082 -13.851 1.00 0.71 C ATOM 1418 OG SER A 90 -7.575 -8.509 -13.987 1.00 1.16 O ATOM 0 H SER A 90 -8.599 -9.186 -11.203 1.00 0.50 H new ATOM 0 HA SER A 90 -9.876 -7.337 -13.130 1.00 0.59 H new ATOM 0 HB2 SER A 90 -8.771 -10.135 -13.585 1.00 0.71 H new ATOM 0 HB3 SER A 90 -9.386 -9.040 -14.807 1.00 0.71 H new ATOM 0 HG SER A 90 -7.072 -8.995 -14.673 1.00 1.16 H new ATOM 1424 N LYS A 91 -11.923 -8.416 -11.849 1.00 0.52 N ATOM 1425 CA LYS A 91 -13.237 -8.980 -11.567 1.00 0.49 C ATOM 1426 C LYS A 91 -14.128 -7.930 -10.911 1.00 0.51 C ATOM 1427 O LYS A 91 -15.058 -7.417 -11.534 1.00 0.59 O ATOM 1428 CB LYS A 91 -13.101 -10.206 -10.656 1.00 0.47 C ATOM 1429 CG LYS A 91 -14.328 -11.097 -10.642 1.00 1.02 C ATOM 1430 CD LYS A 91 -14.204 -12.202 -9.606 1.00 1.09 C ATOM 1431 CE LYS A 91 -13.061 -13.151 -9.931 1.00 1.24 C ATOM 1432 NZ LYS A 91 -13.299 -13.920 -11.179 1.00 1.76 N ATOM 0 H LYS A 91 -11.767 -7.493 -11.443 1.00 0.52 H new ATOM 0 HA LYS A 91 -13.696 -9.292 -12.505 1.00 0.49 H new ATOM 0 HB2 LYS A 91 -12.241 -10.793 -10.978 1.00 0.47 H new ATOM 0 HB3 LYS A 91 -12.895 -9.871 -9.639 1.00 0.47 H new ATOM 0 HG2 LYS A 91 -15.212 -10.496 -10.430 1.00 1.02 H new ATOM 0 HG3 LYS A 91 -14.470 -11.537 -11.629 1.00 1.02 H new ATOM 0 HD2 LYS A 91 -14.043 -11.762 -8.622 1.00 1.09 H new ATOM 0 HD3 LYS A 91 -15.138 -12.761 -9.556 1.00 1.09 H new ATOM 0 HE2 LYS A 91 -12.137 -12.582 -10.029 1.00 1.24 H new ATOM 0 HE3 LYS A 91 -12.921 -13.844 -9.102 1.00 1.24 H new ATOM 0 HZ1 LYS A 91 -12.572 -14.657 -11.277 1.00 1.76 H new ATOM 0 HZ2 LYS A 91 -14.239 -14.364 -11.139 1.00 1.76 H new ATOM 0 HZ3 LYS A 91 -13.254 -13.278 -11.996 1.00 1.76 H new ATOM 1446 N LEU A 92 -13.834 -7.626 -9.645 1.00 0.48 N ATOM 1447 CA LEU A 92 -14.576 -6.626 -8.869 1.00 0.55 C ATOM 1448 C LEU A 92 -16.046 -7.005 -8.699 1.00 0.58 C ATOM 1449 O LEU A 92 -16.879 -6.154 -8.386 1.00 0.72 O ATOM 1450 CB LEU A 92 -14.463 -5.241 -9.523 1.00 0.65 C ATOM 1451 CG LEU A 92 -13.754 -4.172 -8.681 1.00 0.78 C ATOM 1452 CD1 LEU A 92 -14.545 -3.869 -7.420 1.00 0.96 C ATOM 1453 CD2 LEU A 92 -12.341 -4.611 -8.331 1.00 0.90 C ATOM 0 H LEU A 92 -13.074 -8.066 -9.127 1.00 0.48 H new ATOM 0 HA LEU A 92 -14.126 -6.593 -7.877 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -13.931 -5.347 -10.468 1.00 0.65 H new ATOM 0 HB3 LEU A 92 -15.466 -4.887 -9.760 1.00 0.65 H new ATOM 0 HG LEU A 92 -13.692 -3.260 -9.275 1.00 0.78 H new ATOM 0 HD11 LEU A 92 -14.024 -3.109 -6.838 1.00 0.96 H new ATOM 0 HD12 LEU A 92 -15.536 -3.504 -7.691 1.00 0.96 H new ATOM 0 HD13 LEU A 92 -14.643 -4.777 -6.825 1.00 0.96 H new ATOM 0 HD21 LEU A 92 -11.857 -3.838 -7.734 1.00 0.90 H new ATOM 0 HD22 LEU A 92 -12.379 -5.539 -7.761 1.00 0.90 H new ATOM 0 HD23 LEU A 92 -11.772 -4.771 -9.247 1.00 0.90 H new ATOM 1465 N SER A 93 -16.360 -8.280 -8.879 1.00 0.52 N ATOM 1466 CA SER A 93 -17.729 -8.752 -8.743 1.00 0.57 C ATOM 1467 C SER A 93 -18.093 -8.938 -7.269 1.00 0.58 C ATOM 1468 O SER A 93 -18.421 -10.039 -6.827 1.00 0.70 O ATOM 1469 CB SER A 93 -17.910 -10.063 -9.513 1.00 0.62 C ATOM 1470 OG SER A 93 -17.216 -10.016 -10.748 1.00 0.70 O ATOM 0 H SER A 93 -15.685 -9.006 -9.120 1.00 0.52 H new ATOM 0 HA SER A 93 -18.400 -8.003 -9.164 1.00 0.57 H new ATOM 0 HB2 SER A 93 -17.542 -10.896 -8.914 1.00 0.62 H new ATOM 0 HB3 SER A 93 -18.970 -10.243 -9.692 1.00 0.62 H new ATOM 0 HG SER A 93 -17.341 -10.862 -11.226 1.00 0.70 H new ATOM 1476 N LYS A 94 -18.029 -7.849 -6.519 1.00 0.57 N ATOM 1477 CA LYS A 94 -18.337 -7.862 -5.094 1.00 0.60 C ATOM 1478 C LYS A 94 -19.242 -6.684 -4.750 1.00 0.71 C ATOM 1479 O LYS A 94 -19.144 -5.626 -5.372 1.00 0.82 O ATOM 1480 CB LYS A 94 -17.048 -7.771 -4.264 1.00 0.56 C ATOM 1481 CG LYS A 94 -16.094 -8.945 -4.447 1.00 0.73 C ATOM 1482 CD LYS A 94 -14.696 -8.607 -3.947 1.00 0.75 C ATOM 1483 CE LYS A 94 -14.662 -8.457 -2.435 1.00 0.85 C ATOM 1484 NZ LYS A 94 -13.629 -7.480 -2.004 1.00 0.93 N ATOM 0 H LYS A 94 -17.763 -6.932 -6.878 1.00 0.57 H new ATOM 0 HA LYS A 94 -18.845 -8.797 -4.859 1.00 0.60 H new ATOM 0 HB2 LYS A 94 -16.526 -6.851 -4.527 1.00 0.56 H new ATOM 0 HB3 LYS A 94 -17.314 -7.697 -3.210 1.00 0.56 H new ATOM 0 HG2 LYS A 94 -16.475 -9.813 -3.909 1.00 0.73 H new ATOM 0 HG3 LYS A 94 -16.049 -9.218 -5.501 1.00 0.73 H new ATOM 0 HD2 LYS A 94 -14.001 -9.390 -4.251 1.00 0.75 H new ATOM 0 HD3 LYS A 94 -14.357 -7.682 -4.412 1.00 0.75 H new ATOM 0 HE2 LYS A 94 -15.640 -8.134 -2.079 1.00 0.85 H new ATOM 0 HE3 LYS A 94 -14.461 -9.426 -1.977 1.00 0.85 H new ATOM 0 HZ1 LYS A 94 -13.118 -7.856 -1.180 1.00 0.93 H new ATOM 0 HZ2 LYS A 94 -12.959 -7.318 -2.782 1.00 0.93 H new ATOM 0 HZ3 LYS A 94 -14.086 -6.582 -1.748 1.00 0.93 H new ATOM 1498 N PRO A 95 -20.141 -6.855 -3.771 1.00 0.78 N ATOM 1499 CA PRO A 95 -21.047 -5.788 -3.344 1.00 0.92 C ATOM 1500 C PRO A 95 -20.310 -4.693 -2.572 1.00 0.95 C ATOM 1501 O PRO A 95 -19.178 -4.890 -2.122 1.00 1.03 O ATOM 1502 CB PRO A 95 -22.046 -6.513 -2.439 1.00 1.04 C ATOM 1503 CG PRO A 95 -21.287 -7.674 -1.903 1.00 1.05 C ATOM 1504 CD PRO A 95 -20.357 -8.099 -3.006 1.00 0.84 C ATOM 0 HA PRO A 95 -21.516 -5.279 -4.186 1.00 0.92 H new ATOM 0 HB2 PRO A 95 -22.398 -5.864 -1.637 1.00 1.04 H new ATOM 0 HB3 PRO A 95 -22.925 -6.836 -2.997 1.00 1.04 H new ATOM 0 HG2 PRO A 95 -20.731 -7.398 -1.007 1.00 1.05 H new ATOM 0 HG3 PRO A 95 -21.959 -8.485 -1.624 1.00 1.05 H new ATOM 0 HD2 PRO A 95 -19.421 -8.496 -2.612 1.00 0.84 H new ATOM 0 HD3 PRO A 95 -20.799 -8.880 -3.625 1.00 0.84 H new ATOM 1512 N MET A 96 -20.949 -3.541 -2.419 1.00 1.06 N ATOM 1513 CA MET A 96 -20.338 -2.425 -1.707 1.00 1.14 C ATOM 1514 C MET A 96 -21.231 -1.937 -0.568 1.00 1.16 C ATOM 1515 O MET A 96 -20.943 -2.200 0.598 1.00 1.25 O ATOM 1516 CB MET A 96 -20.041 -1.275 -2.674 1.00 1.31 C ATOM 1517 CG MET A 96 -19.452 -0.044 -2.001 1.00 1.38 C ATOM 1518 SD MET A 96 -19.062 1.269 -3.178 1.00 1.63 S ATOM 1519 CE MET A 96 -20.648 1.505 -3.986 1.00 1.94 C ATOM 0 H MET A 96 -21.886 -3.354 -2.776 1.00 1.06 H new ATOM 0 HA MET A 96 -19.402 -2.778 -1.275 1.00 1.14 H new ATOM 0 HB2 MET A 96 -19.349 -1.626 -3.439 1.00 1.31 H new ATOM 0 HB3 MET A 96 -20.963 -0.993 -3.183 1.00 1.31 H new ATOM 0 HG2 MET A 96 -20.157 0.334 -1.261 1.00 1.38 H new ATOM 0 HG3 MET A 96 -18.547 -0.326 -1.463 1.00 1.38 H new ATOM 0 HE1 MET A 96 -20.671 2.485 -4.463 1.00 1.94 H new ATOM 0 HE2 MET A 96 -20.791 0.731 -4.740 1.00 1.94 H new ATOM 0 HE3 MET A 96 -21.446 1.443 -3.246 1.00 1.94 H new ATOM 1529 N GLU A 97 -22.320 -1.249 -0.924 1.00 1.14 N ATOM 1530 CA GLU A 97 -23.272 -0.698 0.046 1.00 1.22 C ATOM 1531 C GLU A 97 -22.628 0.392 0.903 1.00 1.29 C ATOM 1532 O GLU A 97 -21.882 0.105 1.842 1.00 1.36 O ATOM 1533 CB GLU A 97 -23.858 -1.790 0.944 1.00 1.28 C ATOM 1534 CG GLU A 97 -24.876 -1.263 1.942 1.00 1.50 C ATOM 1535 CD GLU A 97 -25.319 -2.310 2.936 1.00 1.97 C ATOM 1536 OE1 GLU A 97 -24.579 -2.556 3.914 1.00 2.38 O ATOM 1537 OE2 GLU A 97 -26.412 -2.887 2.749 1.00 2.57 O ATOM 0 H GLU A 97 -22.567 -1.058 -1.895 1.00 1.14 H new ATOM 0 HA GLU A 97 -24.085 -0.253 -0.528 1.00 1.22 H new ATOM 0 HB2 GLU A 97 -24.330 -2.550 0.321 1.00 1.28 H new ATOM 0 HB3 GLU A 97 -23.048 -2.280 1.485 1.00 1.28 H new ATOM 0 HG2 GLU A 97 -24.447 -0.417 2.479 1.00 1.50 H new ATOM 0 HG3 GLU A 97 -25.747 -0.889 1.403 1.00 1.50 H new ATOM 1544 N THR A 98 -22.920 1.646 0.583 1.00 1.31 N ATOM 1545 CA THR A 98 -22.366 2.764 1.326 1.00 1.40 C ATOM 1546 C THR A 98 -23.231 4.016 1.169 1.00 1.39 C ATOM 1547 O THR A 98 -24.095 4.076 0.287 1.00 1.35 O ATOM 1548 CB THR A 98 -20.918 3.070 0.870 1.00 1.43 C ATOM 1549 OG1 THR A 98 -20.304 4.020 1.750 1.00 1.57 O ATOM 1550 CG2 THR A 98 -20.891 3.602 -0.557 1.00 1.37 C ATOM 0 H THR A 98 -23.536 1.911 -0.185 1.00 1.31 H new ATOM 0 HA THR A 98 -22.352 2.479 2.378 1.00 1.40 H new ATOM 0 HB THR A 98 -20.357 2.136 0.903 1.00 1.43 H new ATOM 0 HG1 THR A 98 -19.389 4.201 1.449 1.00 1.57 H new ATOM 0 HG21 THR A 98 -19.861 3.808 -0.849 1.00 1.37 H new ATOM 0 HG22 THR A 98 -21.318 2.859 -1.231 1.00 1.37 H new ATOM 0 HG23 THR A 98 -21.475 4.521 -0.614 1.00 1.37 H new ATOM 1558 N LEU A 99 -22.990 4.997 2.043 1.00 1.46 N ATOM 1559 CA LEU A 99 -23.705 6.277 2.035 1.00 1.48 C ATOM 1560 C LEU A 99 -25.206 6.092 2.248 1.00 1.52 C ATOM 1561 O LEU A 99 -26.023 6.807 1.666 1.00 1.53 O ATOM 1562 CB LEU A 99 -23.442 7.029 0.727 1.00 1.43 C ATOM 1563 CG LEU A 99 -21.969 7.340 0.438 1.00 1.48 C ATOM 1564 CD1 LEU A 99 -21.826 8.068 -0.888 1.00 1.49 C ATOM 1565 CD2 LEU A 99 -21.365 8.161 1.566 1.00 1.61 C ATOM 0 H LEU A 99 -22.289 4.925 2.781 1.00 1.46 H new ATOM 0 HA LEU A 99 -23.325 6.868 2.868 1.00 1.48 H new ATOM 0 HB2 LEU A 99 -23.841 6.440 -0.099 1.00 1.43 H new ATOM 0 HB3 LEU A 99 -23.998 7.967 0.748 1.00 1.43 H new ATOM 0 HG LEU A 99 -21.427 6.397 0.371 1.00 1.48 H new ATOM 0 HD11 LEU A 99 -20.773 8.280 -1.075 1.00 1.49 H new ATOM 0 HD12 LEU A 99 -22.219 7.443 -1.690 1.00 1.49 H new ATOM 0 HD13 LEU A 99 -22.383 9.004 -0.851 1.00 1.49 H new ATOM 0 HD21 LEU A 99 -20.319 8.372 1.343 1.00 1.61 H new ATOM 0 HD22 LEU A 99 -21.911 9.099 1.666 1.00 1.61 H new ATOM 0 HD23 LEU A 99 -21.431 7.601 2.499 1.00 1.61 H new ATOM 1577 N ILE A 100 -25.563 5.163 3.120 1.00 1.60 N ATOM 1578 CA ILE A 100 -26.964 4.883 3.407 1.00 1.68 C ATOM 1579 C ILE A 100 -27.400 5.497 4.731 1.00 1.72 C ATOM 1580 O ILE A 100 -28.513 5.261 5.197 1.00 1.83 O ATOM 1581 CB ILE A 100 -27.241 3.366 3.437 1.00 1.82 C ATOM 1582 CG1 ILE A 100 -26.178 2.644 4.270 1.00 1.79 C ATOM 1583 CG2 ILE A 100 -27.285 2.814 2.021 1.00 1.83 C ATOM 1584 CD1 ILE A 100 -26.439 1.161 4.446 1.00 1.79 C ATOM 0 H ILE A 100 -24.902 4.588 3.643 1.00 1.60 H new ATOM 0 HA ILE A 100 -27.542 5.336 2.601 1.00 1.68 H new ATOM 0 HB ILE A 100 -28.211 3.195 3.904 1.00 1.82 H new ATOM 0 HG12 ILE A 100 -25.206 2.778 3.796 1.00 1.79 H new ATOM 0 HG13 ILE A 100 -26.121 3.112 5.253 1.00 1.79 H new ATOM 0 HG21 ILE A 100 -27.481 1.742 2.054 1.00 1.83 H new ATOM 0 HG22 ILE A 100 -28.077 3.311 1.461 1.00 1.83 H new ATOM 0 HG23 ILE A 100 -26.328 2.993 1.531 1.00 1.83 H new ATOM 0 HD11 ILE A 100 -25.643 0.720 5.047 1.00 1.79 H new ATOM 0 HD12 ILE A 100 -27.395 1.017 4.949 1.00 1.79 H new ATOM 0 HD13 ILE A 100 -26.466 0.678 3.469 1.00 1.79 H new ATOM 1596 N THR A 101 -26.522 6.277 5.341 1.00 1.73 N ATOM 1597 CA THR A 101 -26.829 6.914 6.611 1.00 1.77 C ATOM 1598 C THR A 101 -26.313 8.353 6.641 1.00 1.85 C ATOM 1599 O THR A 101 -25.155 8.610 6.307 1.00 1.80 O ATOM 1600 CB THR A 101 -26.215 6.122 7.784 1.00 1.70 C ATOM 1601 OG1 THR A 101 -26.454 4.718 7.609 1.00 1.85 O ATOM 1602 CG2 THR A 101 -26.804 6.574 9.112 1.00 1.98 C ATOM 0 H THR A 101 -25.592 6.484 4.977 1.00 1.73 H new ATOM 0 HA THR A 101 -27.914 6.926 6.718 1.00 1.77 H new ATOM 0 HB THR A 101 -25.142 6.311 7.795 1.00 1.70 H new ATOM 0 HG1 THR A 101 -26.059 4.223 8.357 1.00 1.85 H new ATOM 0 HG21 THR A 101 -26.355 6.001 9.923 1.00 1.98 H new ATOM 0 HG22 THR A 101 -26.598 7.634 9.259 1.00 1.98 H new ATOM 0 HG23 THR A 101 -27.882 6.411 9.106 1.00 1.98 H new ATOM 1610 N THR A 102 -27.181 9.284 7.027 1.00 2.05 N ATOM 1611 CA THR A 102 -26.817 10.692 7.110 1.00 2.18 C ATOM 1612 C THR A 102 -25.879 10.936 8.288 1.00 2.11 C ATOM 1613 O THR A 102 -26.302 10.939 9.446 1.00 2.23 O ATOM 1614 CB THR A 102 -28.070 11.573 7.264 1.00 2.58 C ATOM 1615 OG1 THR A 102 -29.202 10.914 6.683 1.00 2.89 O ATOM 1616 CG2 THR A 102 -27.865 12.923 6.594 1.00 2.72 C ATOM 0 H THR A 102 -28.147 9.085 7.288 1.00 2.05 H new ATOM 0 HA THR A 102 -26.307 10.958 6.184 1.00 2.18 H new ATOM 0 HB THR A 102 -28.248 11.735 8.327 1.00 2.58 H new ATOM 0 HG1 THR A 102 -29.997 11.478 6.785 1.00 2.89 H new ATOM 0 HG21 THR A 102 -28.763 13.529 6.715 1.00 2.72 H new ATOM 0 HG22 THR A 102 -27.018 13.433 7.054 1.00 2.72 H new ATOM 0 HG23 THR A 102 -27.667 12.776 5.532 1.00 2.72 H new ATOM 1624 N VAL A 103 -24.601 11.120 7.987 1.00 2.05 N ATOM 1625 CA VAL A 103 -23.600 11.352 9.020 1.00 2.08 C ATOM 1626 C VAL A 103 -23.438 12.842 9.307 1.00 2.14 C ATOM 1627 O VAL A 103 -22.727 13.234 10.236 1.00 2.25 O ATOM 1628 CB VAL A 103 -22.232 10.757 8.622 1.00 1.94 C ATOM 1629 CG1 VAL A 103 -22.324 9.246 8.528 1.00 2.09 C ATOM 1630 CG2 VAL A 103 -21.735 11.356 7.312 1.00 1.94 C ATOM 0 H VAL A 103 -24.232 11.113 7.036 1.00 2.05 H new ATOM 0 HA VAL A 103 -23.953 10.852 9.922 1.00 2.08 H new ATOM 0 HB VAL A 103 -21.508 11.011 9.396 1.00 1.94 H new ATOM 0 HG11 VAL A 103 -21.353 8.839 8.247 1.00 2.09 H new ATOM 0 HG12 VAL A 103 -22.622 8.839 9.494 1.00 2.09 H new ATOM 0 HG13 VAL A 103 -23.064 8.973 7.775 1.00 2.09 H new ATOM 0 HG21 VAL A 103 -20.770 10.919 7.055 1.00 1.94 H new ATOM 0 HG22 VAL A 103 -22.452 11.143 6.519 1.00 1.94 H new ATOM 0 HG23 VAL A 103 -21.627 12.435 7.423 1.00 1.94 H new ATOM 1640 N ASP A 104 -24.109 13.664 8.508 1.00 2.18 N ATOM 1641 CA ASP A 104 -24.046 15.113 8.654 1.00 2.30 C ATOM 1642 C ASP A 104 -24.722 15.540 9.943 1.00 2.65 C ATOM 1643 O ASP A 104 -25.932 15.282 10.092 1.00 2.86 O ATOM 1644 CB ASP A 104 -24.724 15.809 7.470 1.00 2.32 C ATOM 1645 CG ASP A 104 -24.315 15.223 6.138 1.00 2.40 C ATOM 1646 OD1 ASP A 104 -23.257 15.616 5.607 1.00 2.54 O ATOM 1647 OD2 ASP A 104 -25.060 14.374 5.607 1.00 2.82 O ATOM 0 H ASP A 104 -24.708 13.347 7.746 1.00 2.18 H new ATOM 0 HA ASP A 104 -22.996 15.404 8.680 1.00 2.30 H new ATOM 0 HB2 ASP A 104 -25.806 15.732 7.579 1.00 2.32 H new ATOM 0 HB3 ASP A 104 -24.476 16.870 7.487 1.00 2.32 H new TER 1652 ASP A 104 HETATM 1653 CHA HEM A 400 11.260 9.702 -3.976 1.00 0.46 C HETATM 1654 CHB HEM A 400 10.683 5.447 -1.873 1.00 0.49 C HETATM 1655 CHC HEM A 400 5.957 5.739 -2.545 1.00 0.41 C HETATM 1656 CHD HEM A 400 6.501 10.110 -4.427 1.00 0.38 C HETATM 1657 C1A HEM A 400 11.520 8.496 -3.371 1.00 0.46 C HETATM 1658 C2A HEM A 400 12.842 8.025 -3.021 1.00 0.53 C HETATM 1659 C3A HEM A 400 12.665 6.838 -2.383 1.00 0.54 C HETATM 1660 C4A HEM A 400 11.251 6.583 -2.383 1.00 0.47 C HETATM 1661 CMA HEM A 400 13.711 6.002 -1.720 1.00 0.63 C HETATM 1662 CAA HEM A 400 14.145 8.691 -3.348 1.00 0.61 C HETATM 1663 CBA HEM A 400 15.231 7.698 -3.791 1.00 0.95 C HETATM 1664 CGA HEM A 400 15.586 7.943 -5.252 1.00 0.91 C HETATM 1665 O1A HEM A 400 16.767 8.213 -5.537 1.00 1.48 O HETATM 1666 O2A HEM A 400 14.682 7.859 -6.109 1.00 1.29 O HETATM 1667 C1B HEM A 400 9.346 5.158 -1.879 1.00 0.46 C HETATM 1668 C2B HEM A 400 8.789 3.932 -1.375 1.00 0.51 C HETATM 1669 C3B HEM A 400 7.454 4.003 -1.577 1.00 0.49 C HETATM 1670 C4B HEM A 400 7.204 5.278 -2.201 1.00 0.42 C HETATM 1671 CMB HEM A 400 9.542 2.797 -0.772 1.00 0.60 C HETATM 1672 CAB HEM A 400 6.521 3.031 -1.276 1.00 0.55 C HETATM 1673 CBB HEM A 400 6.373 2.358 0.087 1.00 1.07 C HETATM 1674 C1C HEM A 400 5.694 6.960 -3.118 1.00 0.37 C HETATM 1675 C2C HEM A 400 4.372 7.432 -3.441 1.00 0.40 C HETATM 1676 C3C HEM A 400 4.521 8.674 -3.955 1.00 0.40 C HETATM 1677 C4C HEM A 400 5.938 8.951 -3.954 1.00 0.36 C HETATM 1678 CMC HEM A 400 3.095 6.683 -3.265 1.00 0.47 C HETATM 1679 CAC HEM A 400 3.510 9.514 -4.384 1.00 0.45 C HETATM 1680 CBC HEM A 400 2.271 9.876 -3.557 1.00 0.52 C HETATM 1681 C1D HEM A 400 7.851 10.382 -4.463 1.00 0.39 C HETATM 1682 C2D HEM A 400 8.421 11.600 -4.986 1.00 0.45 C HETATM 1683 C3D HEM A 400 9.766 11.474 -4.874 1.00 0.47 C HETATM 1684 C4D HEM A 400 10.008 10.187 -4.276 1.00 0.42 C HETATM 1685 CMD HEM A 400 7.677 12.776 -5.529 1.00 0.50 C HETATM 1686 CAD HEM A 400 10.797 12.468 -5.292 1.00 0.55 C HETATM 1687 CBD HEM A 400 11.515 12.070 -6.587 1.00 0.70 C HETATM 1688 CGD HEM A 400 11.613 13.282 -7.505 1.00 1.09 C HETATM 1689 O1D HEM A 400 11.866 14.390 -6.996 1.00 1.52 O HETATM 1690 O2D HEM A 400 11.440 13.119 -8.729 1.00 1.79 O HETATM 1691 NA HEM A 400 10.546 7.601 -2.986 1.00 0.42 N HETATM 1692 NB HEM A 400 8.373 5.984 -2.389 1.00 0.40 N HETATM 1693 NC HEM A 400 6.657 7.893 -3.438 1.00 0.35 N HETATM 1694 ND HEM A 400 8.829 9.516 -4.023 1.00 0.37 N HETATM 1695 FE HEM A 400 8.602 7.747 -3.215 1.00 0.36 FE HETATM 0 HMA1 HEM A 400 13.286 5.517 -0.841 1.00 0.63 H new HETATM 0 HMA2 HEM A 400 14.545 6.635 -1.417 1.00 0.63 H new HETATM 0 HMA3 HEM A 400 14.066 5.243 -2.417 1.00 0.63 H new HETATM 0 HMB1 HEM A 400 10.539 2.748 -1.210 1.00 0.60 H new HETATM 0 HMB2 HEM A 400 9.013 1.864 -0.968 1.00 0.60 H new HETATM 0 HMB3 HEM A 400 9.626 2.947 0.304 1.00 0.60 H new HETATM 0 HMC1 HEM A 400 3.283 5.614 -3.370 1.00 0.47 H new HETATM 0 HMC2 HEM A 400 2.379 7.002 -4.022 1.00 0.47 H new HETATM 0 HMC3 HEM A 400 2.689 6.884 -2.274 1.00 0.47 H new HETATM 0 HMD1 HEM A 400 6.738 12.441 -5.970 1.00 0.50 H new HETATM 0 HMD2 HEM A 400 8.281 13.268 -6.292 1.00 0.50 H new HETATM 0 HMD3 HEM A 400 7.468 13.479 -4.722 1.00 0.50 H new HETATM 0 HBB1 HEM A 400 5.607 1.598 0.239 1.00 1.07 H new HETATM 0 HBB2 HEM A 400 7.033 2.638 0.908 1.00 1.07 H new HETATM 0 HBC1 HEM A 400 1.518 10.547 -3.969 1.00 0.52 H new HETATM 0 HBC2 HEM A 400 2.143 9.462 -2.557 1.00 0.52 H new HETATM 0 HBA1 HEM A 400 14.878 6.675 -3.659 1.00 0.95 H new HETATM 0 HBA2 HEM A 400 16.118 7.812 -3.167 1.00 0.95 H new HETATM 0 HAA1 HEM A 400 14.496 9.239 -2.474 1.00 0.61 H new HETATM 0 HAA2 HEM A 400 13.984 9.423 -4.140 1.00 0.61 H new HETATM 0 HBD1 HEM A 400 10.972 11.266 -7.084 1.00 0.70 H new HETATM 0 HBD2 HEM A 400 12.511 11.690 -6.361 1.00 0.70 H new HETATM 0 HAD1 HEM A 400 11.531 12.580 -4.494 1.00 0.55 H new HETATM 0 HAD2 HEM A 400 10.324 13.440 -5.428 1.00 0.55 H new HETATM 0 HHA HEM A 400 12.107 10.319 -4.237 1.00 0.46 H new HETATM 0 HHB HEM A 400 11.345 4.718 -1.429 1.00 0.49 H new HETATM 0 HHC HEM A 400 5.116 5.090 -2.350 1.00 0.41 H new HETATM 0 HHD HEM A 400 5.831 10.870 -4.801 1.00 0.38 H new HETATM 0 HAB HEM A 400 5.840 2.721 -2.069 1.00 0.55 H new HETATM 0 HAC HEM A 400 3.600 9.949 -5.379 1.00 0.45 H new