USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1055 hydrogens (84 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 THR OG1 : rot -72:sc= 0.813 USER MOD Set 1.2: A 200 CHO O7 : rot -129:sc= -4.25! USER MOD Set 1.3: A 201 CHO OT2 : rot -142:sc= -0.89! USER MOD Set 2.1: A 97 TYR OH : rot 180:sc=-0.00444 USER MOD Set 2.2: A 99 HIS : no HD1:sc= -2.82! C(o=-2.8!,f=-12!) USER MOD Set 2.3: A 112 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 96 ASN : amide:sc= 0.778 K(o=1.6,f=-3) USER MOD Set 3.2: A 115 SER OG : rot 180:sc= 0.867 USER MOD Set 4.1: A 38 THR OG1 : rot 180:sc= 0.347 USER MOD Set 4.2: A 51 GLN : amide:sc=-0.000885 K(o=0.35,f=-1.7!) USER MOD Set 4.3: A 74 MET CE :methyl -174:sc= 0 (180deg=-0.0109) USER MOD Single : A 1 ALA N :NH3+ -173:sc= -0.157 (180deg=-0.208) USER MOD Single : A 3 THR OG1 : rot 150:sc= -2.13! USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 171:sc= 0.867 USER MOD Single : A 10 SER OG : rot 6:sc= 0.515 USER MOD Single : A 13 ASN : amide:sc= 0.918 K(o=0.92,f=-1.2!) USER MOD Single : A 14 TYR OH : rot 165:sc= 0.62 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 2.28 (180deg=2.28) USER MOD Single : A 30 MET CE :methyl -138:sc= -17! (180deg=-18.4!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot 23:sc= -4.38! USER MOD Single : A 35 LYS NZ :NH3+ -139:sc= 1.08 (180deg=-0.63) USER MOD Single : A 42 GLN : amide:sc= 0.00237 K(o=0.0024,f=-2.1!) USER MOD Single : A 43 ASN : amide:sc=-0.00202 X(o=-0.002,f=-0.083) USER MOD Single : A 45 ASN : amide:sc= -0.909 X(o=-0.91,f=-0.47) USER MOD Single : A 48 THR OG1 : rot 125:sc= -1.53! USER MOD Single : A 50 THR OG1 : rot 78:sc= 0.196 USER MOD Single : A 52 HIS : no HD1:sc= 0.968 K(o=0.97,f=-2.9!) USER MOD Single : A 58 THR OG1 : rot 10:sc= 0.386 USER MOD Single : A 59 THR OG1 : rot 140:sc= -0.189 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0779 USER MOD Single : A 61 ASN : amide:sc= -1.88! C(o=-1.9!,f=-6.8!) USER MOD Single : A 62 SER OG : rot 36:sc= 0.232 USER MOD Single : A 64 THR OG1 : rot 11:sc= 1.07 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -166:sc= -2.94 (180deg=-4.45!) USER MOD Single : A 78 LYS NZ :NH3+ 179:sc= 1.16 (180deg=1.11) USER MOD Single : A 80 LYS NZ :NH3+ -103:sc= 0.867 (180deg=-1.04!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 172:sc= 1.24 (180deg=1.12) USER MOD Single : A 85 MET CE :methyl 180:sc= -1.42 (180deg=-1.42) USER MOD Single : A 89 LYS NZ :NH3+ -178:sc= 1.23 (180deg=1.1) USER MOD Single : A 98 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.3) USER MOD Single : A 100 THR OG1 : rot 28:sc= 0.0759 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0499) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -119:sc= 0.105 USER MOD Single : A 119 TYR OH : rot 165:sc=-0.00401 USER MOD Single : A 120 LYS NZ :NH3+ 177:sc= 1.3 (180deg=1.2) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -160:sc= 1.11 (180deg=-0.306) USER MOD Single : A 125 LYS NZ :NH3+ -162:sc= 0.26 (180deg=-0.657!) USER MOD Single : A 200 CHO O3 : rot 180:sc= 0 USER MOD Single : A 200 CHO OT2 : rot 165:sc= 0 USER MOD Single : A 201 CHO O3 : rot 160:sc= 1.12 USER MOD Single : A 201 CHO O7 : rot -150:sc= -4.08! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.816 -7.715 -3.548 1.00 1.11 N ATOM 2 CA ALA A 1 -13.695 -8.127 -4.420 1.00 0.53 C ATOM 3 C ALA A 1 -12.357 -7.707 -3.827 1.00 0.42 C ATOM 4 O ALA A 1 -11.303 -8.128 -4.296 1.00 0.51 O ATOM 5 CB ALA A 1 -13.860 -7.547 -5.818 1.00 1.00 C ATOM 0 H1 ALA A 1 -15.704 -8.115 -3.912 1.00 1.11 H new ATOM 0 H2 ALA A 1 -14.650 -8.063 -2.582 1.00 1.11 H new ATOM 0 H3 ALA A 1 -14.883 -6.677 -3.535 1.00 1.11 H new ATOM 0 HA ALA A 1 -13.709 -9.215 -4.491 1.00 0.53 H new ATOM 0 HB1 ALA A 1 -13.025 -7.862 -6.444 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -14.794 -7.904 -6.252 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -13.880 -6.459 -5.760 1.00 1.00 H new ATOM 11 N PHE A 2 -12.410 -6.887 -2.790 1.00 0.35 N ATOM 12 CA PHE A 2 -11.199 -6.407 -2.135 1.00 0.27 C ATOM 13 C PHE A 2 -10.921 -7.173 -0.844 1.00 0.23 C ATOM 14 O PHE A 2 -9.772 -7.272 -0.420 1.00 0.25 O ATOM 15 CB PHE A 2 -11.307 -4.906 -1.843 1.00 0.33 C ATOM 16 CG PHE A 2 -10.987 -4.041 -3.031 1.00 0.31 C ATOM 17 CD1 PHE A 2 -9.680 -3.907 -3.476 1.00 1.24 C ATOM 18 CD2 PHE A 2 -11.991 -3.367 -3.709 1.00 1.22 C ATOM 19 CE1 PHE A 2 -9.380 -3.119 -4.571 1.00 1.24 C ATOM 20 CE2 PHE A 2 -11.696 -2.580 -4.809 1.00 1.23 C ATOM 21 CZ PHE A 2 -10.389 -2.457 -5.240 1.00 0.36 C ATOM 0 H PHE A 2 -13.277 -6.539 -2.382 1.00 0.35 H new ATOM 0 HA PHE A 2 -10.365 -6.579 -2.816 1.00 0.27 H new ATOM 0 HB2 PHE A 2 -12.318 -4.682 -1.502 1.00 0.33 H new ATOM 0 HB3 PHE A 2 -10.631 -4.653 -1.026 1.00 0.33 H new ATOM 0 HD1 PHE A 2 -8.886 -4.426 -2.960 1.00 1.24 H new ATOM 0 HD2 PHE A 2 -13.014 -3.457 -3.375 1.00 1.22 H new ATOM 0 HE1 PHE A 2 -8.357 -3.021 -4.903 1.00 1.24 H new ATOM 0 HE2 PHE A 2 -12.487 -2.062 -5.330 1.00 1.23 H new ATOM 0 HZ PHE A 2 -10.158 -1.844 -6.099 1.00 0.36 H new ATOM 31 N THR A 3 -11.966 -7.708 -0.227 1.00 0.20 N ATOM 32 CA THR A 3 -11.823 -8.459 1.009 1.00 0.19 C ATOM 33 C THR A 3 -10.930 -9.685 0.831 1.00 0.19 C ATOM 34 O THR A 3 -10.938 -10.333 -0.223 1.00 0.26 O ATOM 35 CB THR A 3 -13.193 -8.920 1.519 1.00 0.21 C ATOM 36 OG1 THR A 3 -14.172 -7.917 1.234 1.00 0.24 O ATOM 37 CG2 THR A 3 -13.144 -9.187 3.013 1.00 0.26 C ATOM 0 H THR A 3 -12.925 -7.634 -0.566 1.00 0.20 H new ATOM 0 HA THR A 3 -11.358 -7.789 1.733 1.00 0.19 H new ATOM 0 HB THR A 3 -13.464 -9.846 1.012 1.00 0.21 H new ATOM 0 HG1 THR A 3 -15.045 -8.341 1.098 1.00 0.24 H new ATOM 0 HG21 THR A 3 -14.126 -9.513 3.357 1.00 0.26 H new ATOM 0 HG22 THR A 3 -12.410 -9.966 3.220 1.00 0.26 H new ATOM 0 HG23 THR A 3 -12.861 -8.274 3.537 1.00 0.26 H new ATOM 45 N GLY A 4 -10.162 -10.002 1.863 1.00 0.19 N ATOM 46 CA GLY A 4 -9.291 -11.145 1.807 1.00 0.21 C ATOM 47 C GLY A 4 -7.873 -10.798 2.202 1.00 0.19 C ATOM 48 O GLY A 4 -7.572 -9.637 2.471 1.00 0.21 O ATOM 0 H GLY A 4 -10.131 -9.482 2.740 1.00 0.19 H new ATOM 0 HA2 GLY A 4 -9.671 -11.923 2.469 1.00 0.21 H new ATOM 0 HA3 GLY A 4 -9.296 -11.555 0.797 1.00 0.21 H new ATOM 52 N LYS A 5 -7.012 -11.803 2.267 1.00 0.20 N ATOM 53 CA LYS A 5 -5.616 -11.580 2.612 1.00 0.20 C ATOM 54 C LYS A 5 -4.788 -11.571 1.333 1.00 0.18 C ATOM 55 O LYS A 5 -5.066 -12.325 0.401 1.00 0.19 O ATOM 56 CB LYS A 5 -5.111 -12.656 3.594 1.00 0.23 C ATOM 57 CG LYS A 5 -4.201 -13.707 2.967 1.00 0.28 C ATOM 58 CD LYS A 5 -4.009 -14.914 3.877 1.00 0.31 C ATOM 59 CE LYS A 5 -3.163 -14.582 5.099 1.00 0.56 C ATOM 60 NZ LYS A 5 -2.751 -15.807 5.836 1.00 1.54 N ATOM 0 H LYS A 5 -7.254 -12.777 2.086 1.00 0.20 H new ATOM 0 HA LYS A 5 -5.515 -10.617 3.113 1.00 0.20 H new ATOM 0 HB2 LYS A 5 -4.573 -12.166 4.406 1.00 0.23 H new ATOM 0 HB3 LYS A 5 -5.971 -13.157 4.038 1.00 0.23 H new ATOM 0 HG2 LYS A 5 -4.625 -14.033 2.017 1.00 0.28 H new ATOM 0 HG3 LYS A 5 -3.231 -13.261 2.747 1.00 0.28 H new ATOM 0 HD2 LYS A 5 -4.983 -15.282 4.200 1.00 0.31 H new ATOM 0 HD3 LYS A 5 -3.534 -15.719 3.316 1.00 0.31 H new ATOM 0 HE2 LYS A 5 -2.276 -14.030 4.788 1.00 0.56 H new ATOM 0 HE3 LYS A 5 -3.727 -13.930 5.765 1.00 0.56 H new ATOM 0 HZ1 LYS A 5 -2.177 -15.539 6.661 1.00 1.54 H new ATOM 0 HZ2 LYS A 5 -3.597 -16.321 6.155 1.00 1.54 H new ATOM 0 HZ3 LYS A 5 -2.191 -16.418 5.208 1.00 1.54 H new ATOM 74 N TYR A 6 -3.794 -10.706 1.279 1.00 0.19 N ATOM 75 CA TYR A 6 -2.941 -10.600 0.107 1.00 0.19 C ATOM 76 C TYR A 6 -1.492 -10.794 0.498 1.00 0.19 C ATOM 77 O TYR A 6 -1.103 -10.469 1.615 1.00 0.23 O ATOM 78 CB TYR A 6 -3.097 -9.234 -0.561 1.00 0.22 C ATOM 79 CG TYR A 6 -4.480 -8.952 -1.088 1.00 0.23 C ATOM 80 CD1 TYR A 6 -4.890 -9.466 -2.307 1.00 1.14 C ATOM 81 CD2 TYR A 6 -5.371 -8.164 -0.370 1.00 1.25 C ATOM 82 CE1 TYR A 6 -6.152 -9.205 -2.799 1.00 1.13 C ATOM 83 CE2 TYR A 6 -6.635 -7.901 -0.854 1.00 1.29 C ATOM 84 CZ TYR A 6 -7.019 -8.424 -2.067 1.00 0.35 C ATOM 85 OH TYR A 6 -8.278 -8.168 -2.546 1.00 0.44 O ATOM 0 H TYR A 6 -3.555 -10.064 2.035 1.00 0.19 H new ATOM 0 HA TYR A 6 -3.242 -11.376 -0.597 1.00 0.19 H new ATOM 0 HB2 TYR A 6 -2.831 -8.459 0.158 1.00 0.22 H new ATOM 0 HB3 TYR A 6 -2.386 -9.163 -1.384 1.00 0.22 H new ATOM 0 HD1 TYR A 6 -4.212 -10.080 -2.881 1.00 1.14 H new ATOM 0 HD2 TYR A 6 -5.069 -7.751 0.581 1.00 1.25 H new ATOM 0 HE1 TYR A 6 -6.458 -9.610 -3.752 1.00 1.13 H new ATOM 0 HE2 TYR A 6 -7.319 -7.289 -0.285 1.00 1.29 H new ATOM 0 HH TYR A 6 -8.809 -7.727 -1.850 1.00 0.44 H new ATOM 95 N GLU A 7 -0.703 -11.316 -0.421 1.00 0.19 N ATOM 96 CA GLU A 7 0.714 -11.538 -0.173 1.00 0.21 C ATOM 97 C GLU A 7 1.539 -11.037 -1.343 1.00 0.19 C ATOM 98 O GLU A 7 1.083 -11.072 -2.491 1.00 0.22 O ATOM 99 CB GLU A 7 1.004 -13.018 0.062 1.00 0.26 C ATOM 100 CG GLU A 7 0.865 -13.442 1.510 1.00 0.33 C ATOM 101 CD GLU A 7 2.092 -14.165 2.019 1.00 0.59 C ATOM 102 OE1 GLU A 7 3.214 -13.839 1.579 1.00 1.41 O ATOM 103 OE2 GLU A 7 1.945 -15.059 2.870 1.00 1.20 O ATOM 0 H GLU A 7 -1.018 -11.596 -1.350 1.00 0.19 H new ATOM 0 HA GLU A 7 0.987 -10.983 0.725 1.00 0.21 H new ATOM 0 HB2 GLU A 7 0.326 -13.614 -0.549 1.00 0.26 H new ATOM 0 HB3 GLU A 7 2.016 -13.239 -0.277 1.00 0.26 H new ATOM 0 HG2 GLU A 7 0.683 -12.562 2.127 1.00 0.33 H new ATOM 0 HG3 GLU A 7 -0.005 -14.091 1.614 1.00 0.33 H new ATOM 110 N PHE A 8 2.737 -10.560 -1.034 1.00 0.23 N ATOM 111 CA PHE A 8 3.667 -10.046 -2.032 1.00 0.25 C ATOM 112 C PHE A 8 3.861 -11.054 -3.159 1.00 0.24 C ATOM 113 O PHE A 8 4.382 -12.146 -2.943 1.00 0.33 O ATOM 114 CB PHE A 8 5.019 -9.751 -1.372 1.00 0.33 C ATOM 115 CG PHE A 8 5.876 -8.770 -2.122 1.00 0.68 C ATOM 116 CD1 PHE A 8 6.409 -9.089 -3.362 1.00 1.32 C ATOM 117 CD2 PHE A 8 6.164 -7.533 -1.573 1.00 1.55 C ATOM 118 CE1 PHE A 8 7.211 -8.191 -4.036 1.00 1.57 C ATOM 119 CE2 PHE A 8 6.963 -6.633 -2.242 1.00 1.86 C ATOM 120 CZ PHE A 8 7.488 -6.962 -3.476 1.00 1.49 C ATOM 0 H PHE A 8 3.094 -10.518 -0.079 1.00 0.23 H new ATOM 0 HA PHE A 8 3.253 -9.129 -2.451 1.00 0.25 H new ATOM 0 HB2 PHE A 8 4.843 -9.367 -0.367 1.00 0.33 H new ATOM 0 HB3 PHE A 8 5.568 -10.686 -1.264 1.00 0.33 H new ATOM 0 HD1 PHE A 8 6.194 -10.050 -3.805 1.00 1.32 H new ATOM 0 HD2 PHE A 8 5.757 -7.270 -0.608 1.00 1.55 H new ATOM 0 HE1 PHE A 8 7.621 -8.450 -5.001 1.00 1.57 H new ATOM 0 HE2 PHE A 8 7.179 -5.671 -1.802 1.00 1.86 H new ATOM 0 HZ PHE A 8 8.115 -6.257 -4.002 1.00 1.49 H new ATOM 130 N GLU A 9 3.429 -10.685 -4.358 1.00 0.25 N ATOM 131 CA GLU A 9 3.566 -11.558 -5.513 1.00 0.26 C ATOM 132 C GLU A 9 4.679 -11.060 -6.426 1.00 0.28 C ATOM 133 O GLU A 9 5.596 -11.806 -6.773 1.00 0.34 O ATOM 134 CB GLU A 9 2.254 -11.642 -6.296 1.00 0.27 C ATOM 135 CG GLU A 9 2.296 -12.661 -7.421 1.00 0.35 C ATOM 136 CD GLU A 9 1.720 -13.999 -7.003 1.00 0.61 C ATOM 137 OE1 GLU A 9 1.986 -14.438 -5.864 1.00 1.46 O ATOM 138 OE2 GLU A 9 0.983 -14.607 -7.803 1.00 1.19 O ATOM 0 H GLU A 9 2.982 -9.789 -4.554 1.00 0.25 H new ATOM 0 HA GLU A 9 3.818 -12.555 -5.151 1.00 0.26 H new ATOM 0 HB2 GLU A 9 1.445 -11.898 -5.612 1.00 0.27 H new ATOM 0 HB3 GLU A 9 2.022 -10.661 -6.711 1.00 0.27 H new ATOM 0 HG2 GLU A 9 1.739 -12.279 -8.276 1.00 0.35 H new ATOM 0 HG3 GLU A 9 3.327 -12.797 -7.747 1.00 0.35 H new ATOM 145 N SER A 10 4.596 -9.793 -6.811 1.00 0.26 N ATOM 146 CA SER A 10 5.584 -9.191 -7.698 1.00 0.29 C ATOM 147 C SER A 10 5.647 -7.678 -7.494 1.00 0.27 C ATOM 148 O SER A 10 4.709 -7.082 -6.968 1.00 0.32 O ATOM 149 CB SER A 10 5.242 -9.527 -9.150 1.00 0.34 C ATOM 150 OG SER A 10 5.432 -10.911 -9.407 1.00 1.01 O ATOM 0 H SER A 10 3.851 -9.159 -6.521 1.00 0.26 H new ATOM 0 HA SER A 10 6.566 -9.599 -7.461 1.00 0.29 H new ATOM 0 HB2 SER A 10 4.208 -9.253 -9.357 1.00 0.34 H new ATOM 0 HB3 SER A 10 5.868 -8.939 -9.821 1.00 0.34 H new ATOM 0 HG SER A 10 5.656 -11.371 -8.571 1.00 1.01 H new ATOM 156 N ASP A 11 6.745 -7.063 -7.925 1.00 0.28 N ATOM 157 CA ASP A 11 6.942 -5.624 -7.765 1.00 0.28 C ATOM 158 C ASP A 11 7.744 -5.054 -8.928 1.00 0.28 C ATOM 159 O ASP A 11 8.577 -5.741 -9.527 1.00 0.34 O ATOM 160 CB ASP A 11 7.665 -5.328 -6.447 1.00 0.32 C ATOM 161 CG ASP A 11 9.144 -5.665 -6.497 1.00 0.97 C ATOM 162 OD1 ASP A 11 9.498 -6.865 -6.407 1.00 1.71 O ATOM 163 OD2 ASP A 11 9.957 -4.735 -6.629 1.00 1.72 O ATOM 0 H ASP A 11 7.516 -7.541 -8.390 1.00 0.28 H new ATOM 0 HA ASP A 11 5.961 -5.150 -7.751 1.00 0.28 H new ATOM 0 HB2 ASP A 11 7.546 -4.273 -6.202 1.00 0.32 H new ATOM 0 HB3 ASP A 11 7.195 -5.896 -5.645 1.00 0.32 H new ATOM 168 N GLU A 12 7.481 -3.801 -9.253 1.00 0.26 N ATOM 169 CA GLU A 12 8.175 -3.130 -10.333 1.00 0.27 C ATOM 170 C GLU A 12 8.576 -1.723 -9.915 1.00 0.25 C ATOM 171 O GLU A 12 7.833 -1.041 -9.203 1.00 0.26 O ATOM 172 CB GLU A 12 7.283 -3.100 -11.574 1.00 0.32 C ATOM 173 CG GLU A 12 7.576 -1.963 -12.542 1.00 0.38 C ATOM 174 CD GLU A 12 6.579 -1.887 -13.682 1.00 0.57 C ATOM 175 OE1 GLU A 12 5.552 -2.599 -13.640 1.00 1.44 O ATOM 176 OE2 GLU A 12 6.825 -1.121 -14.637 1.00 1.00 O ATOM 0 H GLU A 12 6.785 -3.225 -8.779 1.00 0.26 H new ATOM 0 HA GLU A 12 9.086 -3.679 -10.571 1.00 0.27 H new ATOM 0 HB2 GLU A 12 7.390 -4.046 -12.104 1.00 0.32 H new ATOM 0 HB3 GLU A 12 6.243 -3.029 -11.255 1.00 0.32 H new ATOM 0 HG2 GLU A 12 7.571 -1.019 -11.998 1.00 0.38 H new ATOM 0 HG3 GLU A 12 8.579 -2.090 -12.951 1.00 0.38 H new ATOM 183 N ASN A 13 9.752 -1.314 -10.367 1.00 0.25 N ATOM 184 CA ASN A 13 10.311 0.009 -10.066 1.00 0.25 C ATOM 185 C ASN A 13 10.518 0.205 -8.565 1.00 0.23 C ATOM 186 O ASN A 13 10.329 1.307 -8.046 1.00 0.30 O ATOM 187 CB ASN A 13 9.406 1.119 -10.620 1.00 0.29 C ATOM 188 CG ASN A 13 9.613 1.365 -12.103 1.00 0.45 C ATOM 189 OD1 ASN A 13 10.720 1.221 -12.624 1.00 0.51 O ATOM 190 ND2 ASN A 13 8.545 1.741 -12.796 1.00 0.84 N ATOM 0 H ASN A 13 10.354 -1.889 -10.957 1.00 0.25 H new ATOM 0 HA ASN A 13 11.285 0.068 -10.552 1.00 0.25 H new ATOM 0 HB2 ASN A 13 8.364 0.853 -10.443 1.00 0.29 H new ATOM 0 HB3 ASN A 13 9.597 2.043 -10.074 1.00 0.29 H new ATOM 0 HD21 ASN A 13 8.624 1.922 -13.797 1.00 0.84 H new ATOM 0 HD22 ASN A 13 7.645 1.849 -12.328 1.00 0.84 H new ATOM 197 N TYR A 14 10.934 -0.853 -7.876 1.00 0.23 N ATOM 198 CA TYR A 14 11.154 -0.786 -6.435 1.00 0.25 C ATOM 199 C TYR A 14 12.288 0.178 -6.090 1.00 0.23 C ATOM 200 O TYR A 14 12.067 1.184 -5.413 1.00 0.22 O ATOM 201 CB TYR A 14 11.464 -2.173 -5.864 1.00 0.32 C ATOM 202 CG TYR A 14 11.573 -2.195 -4.354 1.00 0.44 C ATOM 203 CD1 TYR A 14 10.448 -2.384 -3.560 1.00 1.30 C ATOM 204 CD2 TYR A 14 12.798 -2.011 -3.720 1.00 1.28 C ATOM 205 CE1 TYR A 14 10.541 -2.392 -2.180 1.00 1.36 C ATOM 206 CE2 TYR A 14 12.897 -2.014 -2.344 1.00 1.39 C ATOM 207 CZ TYR A 14 11.768 -2.204 -1.580 1.00 0.78 C ATOM 208 OH TYR A 14 11.867 -2.191 -0.210 1.00 0.98 O ATOM 0 H TYR A 14 11.125 -1.765 -8.291 1.00 0.23 H new ATOM 0 HA TYR A 14 10.234 -0.414 -5.984 1.00 0.25 H new ATOM 0 HB2 TYR A 14 10.683 -2.867 -6.174 1.00 0.32 H new ATOM 0 HB3 TYR A 14 12.399 -2.533 -6.293 1.00 0.32 H new ATOM 0 HD1 TYR A 14 9.485 -2.527 -4.028 1.00 1.30 H new ATOM 0 HD2 TYR A 14 13.687 -1.863 -4.316 1.00 1.28 H new ATOM 0 HE1 TYR A 14 9.658 -2.544 -1.577 1.00 1.36 H new ATOM 0 HE2 TYR A 14 13.856 -1.868 -1.869 1.00 1.39 H new ATOM 0 HH TYR A 14 12.806 -2.294 0.051 1.00 0.98 H new ATOM 218 N ASP A 15 13.491 -0.124 -6.574 1.00 0.25 N ATOM 219 CA ASP A 15 14.668 0.707 -6.298 1.00 0.26 C ATOM 220 C ASP A 15 14.436 2.134 -6.747 1.00 0.25 C ATOM 221 O ASP A 15 14.885 3.079 -6.104 1.00 0.26 O ATOM 222 CB ASP A 15 15.929 0.182 -7.001 1.00 0.33 C ATOM 223 CG ASP A 15 15.945 -1.318 -7.184 1.00 0.50 C ATOM 224 OD1 ASP A 15 16.040 -2.049 -6.179 1.00 1.18 O ATOM 225 OD2 ASP A 15 15.870 -1.770 -8.349 1.00 1.30 O ATOM 0 H ASP A 15 13.680 -0.938 -7.160 1.00 0.25 H new ATOM 0 HA ASP A 15 14.822 0.668 -5.220 1.00 0.26 H new ATOM 0 HB2 ASP A 15 16.015 0.659 -7.977 1.00 0.33 H new ATOM 0 HB3 ASP A 15 16.805 0.478 -6.424 1.00 0.33 H new ATOM 230 N ASP A 16 13.736 2.283 -7.857 1.00 0.25 N ATOM 231 CA ASP A 16 13.448 3.599 -8.405 1.00 0.26 C ATOM 232 C ASP A 16 12.537 4.379 -7.471 1.00 0.25 C ATOM 233 O ASP A 16 12.787 5.543 -7.179 1.00 0.29 O ATOM 234 CB ASP A 16 12.789 3.470 -9.777 1.00 0.29 C ATOM 235 CG ASP A 16 13.702 2.849 -10.813 1.00 0.72 C ATOM 236 OD1 ASP A 16 13.873 1.611 -10.807 1.00 1.46 O ATOM 237 OD2 ASP A 16 14.256 3.599 -11.644 1.00 1.20 O ATOM 0 H ASP A 16 13.355 1.508 -8.399 1.00 0.25 H new ATOM 0 HA ASP A 16 14.390 4.138 -8.510 1.00 0.26 H new ATOM 0 HB2 ASP A 16 11.887 2.865 -9.686 1.00 0.29 H new ATOM 0 HB3 ASP A 16 12.478 4.457 -10.119 1.00 0.29 H new ATOM 242 N PHE A 17 11.489 3.720 -6.997 1.00 0.21 N ATOM 243 CA PHE A 17 10.527 4.342 -6.101 1.00 0.21 C ATOM 244 C PHE A 17 11.165 4.715 -4.767 1.00 0.20 C ATOM 245 O PHE A 17 11.091 5.864 -4.334 1.00 0.23 O ATOM 246 CB PHE A 17 9.351 3.395 -5.865 1.00 0.21 C ATOM 247 CG PHE A 17 8.206 4.016 -5.117 1.00 0.24 C ATOM 248 CD1 PHE A 17 7.479 5.055 -5.675 1.00 1.22 C ATOM 249 CD2 PHE A 17 7.851 3.553 -3.860 1.00 1.17 C ATOM 250 CE1 PHE A 17 6.420 5.619 -4.994 1.00 1.24 C ATOM 251 CE2 PHE A 17 6.794 4.116 -3.174 1.00 1.19 C ATOM 252 CZ PHE A 17 6.076 5.148 -3.742 1.00 0.38 C ATOM 0 H PHE A 17 11.283 2.746 -7.221 1.00 0.21 H new ATOM 0 HA PHE A 17 10.173 5.259 -6.573 1.00 0.21 H new ATOM 0 HB2 PHE A 17 8.989 3.035 -6.828 1.00 0.21 H new ATOM 0 HB3 PHE A 17 9.704 2.525 -5.311 1.00 0.21 H new ATOM 0 HD1 PHE A 17 7.744 5.427 -6.653 1.00 1.22 H new ATOM 0 HD2 PHE A 17 8.407 2.743 -3.412 1.00 1.17 H new ATOM 0 HE1 PHE A 17 5.860 6.428 -5.440 1.00 1.24 H new ATOM 0 HE2 PHE A 17 6.529 3.749 -2.193 1.00 1.19 H new ATOM 0 HZ PHE A 17 5.246 5.587 -3.208 1.00 0.38 H new ATOM 262 N VAL A 18 11.810 3.745 -4.133 1.00 0.19 N ATOM 263 CA VAL A 18 12.440 3.967 -2.835 1.00 0.21 C ATOM 264 C VAL A 18 13.540 5.030 -2.899 1.00 0.23 C ATOM 265 O VAL A 18 13.706 5.816 -1.967 1.00 0.26 O ATOM 266 CB VAL A 18 12.999 2.655 -2.243 1.00 0.23 C ATOM 267 CG1 VAL A 18 11.883 1.646 -2.022 1.00 0.25 C ATOM 268 CG2 VAL A 18 14.078 2.058 -3.130 1.00 0.23 C ATOM 0 H VAL A 18 11.912 2.797 -4.495 1.00 0.19 H new ATOM 0 HA VAL A 18 11.657 4.338 -2.174 1.00 0.21 H new ATOM 0 HB VAL A 18 13.450 2.897 -1.281 1.00 0.23 H new ATOM 0 HG11 VAL A 18 12.299 0.729 -1.604 1.00 0.25 H new ATOM 0 HG12 VAL A 18 11.150 2.060 -1.330 1.00 0.25 H new ATOM 0 HG13 VAL A 18 11.399 1.425 -2.973 1.00 0.25 H new ATOM 0 HG21 VAL A 18 14.448 1.136 -2.682 1.00 0.23 H new ATOM 0 HG22 VAL A 18 13.662 1.842 -4.114 1.00 0.23 H new ATOM 0 HG23 VAL A 18 14.899 2.767 -3.231 1.00 0.23 H new ATOM 278 N LYS A 19 14.267 5.081 -4.008 1.00 0.24 N ATOM 279 CA LYS A 19 15.336 6.057 -4.165 1.00 0.29 C ATOM 280 C LYS A 19 14.765 7.429 -4.496 1.00 0.30 C ATOM 281 O LYS A 19 15.383 8.455 -4.217 1.00 0.34 O ATOM 282 CB LYS A 19 16.315 5.619 -5.261 1.00 0.33 C ATOM 283 CG LYS A 19 17.344 4.603 -4.784 1.00 0.41 C ATOM 284 CD LYS A 19 18.298 5.206 -3.765 1.00 0.54 C ATOM 285 CE LYS A 19 18.609 4.223 -2.648 1.00 0.87 C ATOM 286 NZ LYS A 19 19.973 3.658 -2.772 1.00 1.18 N ATOM 0 H LYS A 19 14.137 4.461 -4.808 1.00 0.24 H new ATOM 0 HA LYS A 19 15.876 6.120 -3.220 1.00 0.29 H new ATOM 0 HB2 LYS A 19 15.752 5.192 -6.091 1.00 0.33 H new ATOM 0 HB3 LYS A 19 16.834 6.497 -5.646 1.00 0.33 H new ATOM 0 HG2 LYS A 19 16.833 3.747 -4.343 1.00 0.41 H new ATOM 0 HG3 LYS A 19 17.911 4.231 -5.637 1.00 0.41 H new ATOM 0 HD2 LYS A 19 19.223 5.501 -4.260 1.00 0.54 H new ATOM 0 HD3 LYS A 19 17.859 6.111 -3.344 1.00 0.54 H new ATOM 0 HE2 LYS A 19 18.510 4.725 -1.685 1.00 0.87 H new ATOM 0 HE3 LYS A 19 17.878 3.414 -2.663 1.00 0.87 H new ATOM 0 HZ1 LYS A 19 20.145 2.993 -1.991 1.00 1.18 H new ATOM 0 HZ2 LYS A 19 20.060 3.157 -3.679 1.00 1.18 H new ATOM 0 HZ3 LYS A 19 20.672 4.427 -2.732 1.00 1.18 H new ATOM 300 N LYS A 20 13.577 7.434 -5.081 1.00 0.29 N ATOM 301 CA LYS A 20 12.919 8.670 -5.465 1.00 0.32 C ATOM 302 C LYS A 20 12.271 9.357 -4.270 1.00 0.31 C ATOM 303 O LYS A 20 12.400 10.568 -4.096 1.00 0.36 O ATOM 304 CB LYS A 20 11.856 8.387 -6.521 1.00 0.35 C ATOM 305 CG LYS A 20 11.421 9.618 -7.290 1.00 0.58 C ATOM 306 CD LYS A 20 12.515 10.097 -8.230 1.00 0.73 C ATOM 307 CE LYS A 20 12.082 11.339 -8.980 1.00 0.71 C ATOM 308 NZ LYS A 20 13.136 11.822 -9.909 1.00 0.88 N ATOM 0 H LYS A 20 13.048 6.590 -5.300 1.00 0.29 H new ATOM 0 HA LYS A 20 13.680 9.336 -5.871 1.00 0.32 H new ATOM 0 HB2 LYS A 20 12.241 7.648 -7.223 1.00 0.35 H new ATOM 0 HB3 LYS A 20 10.985 7.944 -6.038 1.00 0.35 H new ATOM 0 HG2 LYS A 20 10.520 9.393 -7.861 1.00 0.58 H new ATOM 0 HG3 LYS A 20 11.165 10.414 -6.591 1.00 0.58 H new ATOM 0 HD2 LYS A 20 13.421 10.309 -7.662 1.00 0.73 H new ATOM 0 HD3 LYS A 20 12.761 9.307 -8.939 1.00 0.73 H new ATOM 0 HE2 LYS A 20 11.173 11.125 -9.542 1.00 0.71 H new ATOM 0 HE3 LYS A 20 11.838 12.127 -8.267 1.00 0.71 H new ATOM 0 HZ1 LYS A 20 12.800 12.673 -10.403 1.00 0.88 H new ATOM 0 HZ2 LYS A 20 13.996 12.051 -9.370 1.00 0.88 H new ATOM 0 HZ3 LYS A 20 13.351 11.080 -10.605 1.00 0.88 H new ATOM 322 N ILE A 21 11.573 8.581 -3.448 1.00 0.28 N ATOM 323 CA ILE A 21 10.893 9.130 -2.281 1.00 0.30 C ATOM 324 C ILE A 21 11.877 9.462 -1.164 1.00 0.32 C ATOM 325 O ILE A 21 11.559 10.221 -0.250 1.00 0.39 O ATOM 326 CB ILE A 21 9.802 8.171 -1.753 1.00 0.29 C ATOM 327 CG1 ILE A 21 10.395 6.794 -1.432 1.00 0.24 C ATOM 328 CG2 ILE A 21 8.683 8.044 -2.780 1.00 0.31 C ATOM 329 CD1 ILE A 21 9.445 5.874 -0.699 1.00 0.30 C ATOM 0 H ILE A 21 11.463 7.574 -3.567 1.00 0.28 H new ATOM 0 HA ILE A 21 10.412 10.053 -2.605 1.00 0.30 H new ATOM 0 HB ILE A 21 9.392 8.584 -0.831 1.00 0.29 H new ATOM 0 HG12 ILE A 21 10.703 6.316 -2.362 1.00 0.24 H new ATOM 0 HG13 ILE A 21 11.293 6.928 -0.829 1.00 0.24 H new ATOM 0 HG21 ILE A 21 7.917 7.367 -2.402 1.00 0.31 H new ATOM 0 HG22 ILE A 21 8.243 9.024 -2.962 1.00 0.31 H new ATOM 0 HG23 ILE A 21 9.088 7.650 -3.712 1.00 0.31 H new ATOM 0 HD11 ILE A 21 9.937 4.920 -0.508 1.00 0.30 H new ATOM 0 HD12 ILE A 21 9.156 6.329 0.248 1.00 0.30 H new ATOM 0 HD13 ILE A 21 8.556 5.708 -1.308 1.00 0.30 H new ATOM 341 N GLY A 22 13.075 8.900 -1.242 1.00 0.31 N ATOM 342 CA GLY A 22 14.075 9.173 -0.234 1.00 0.36 C ATOM 343 C GLY A 22 14.015 8.203 0.925 1.00 0.34 C ATOM 344 O GLY A 22 14.362 8.552 2.053 1.00 0.39 O ATOM 0 H GLY A 22 13.370 8.263 -1.982 1.00 0.31 H new ATOM 0 HA2 GLY A 22 15.065 9.129 -0.689 1.00 0.36 H new ATOM 0 HA3 GLY A 22 13.941 10.188 0.140 1.00 0.36 H new ATOM 348 N LEU A 23 13.571 6.984 0.649 1.00 0.28 N ATOM 349 CA LEU A 23 13.474 5.952 1.670 1.00 0.27 C ATOM 350 C LEU A 23 14.869 5.603 2.177 1.00 0.28 C ATOM 351 O LEU A 23 15.814 5.529 1.391 1.00 0.28 O ATOM 352 CB LEU A 23 12.800 4.706 1.083 1.00 0.24 C ATOM 353 CG LEU A 23 12.395 3.627 2.088 1.00 0.26 C ATOM 354 CD1 LEU A 23 11.301 4.131 3.007 1.00 0.31 C ATOM 355 CD2 LEU A 23 11.927 2.382 1.359 1.00 0.25 C ATOM 0 H LEU A 23 13.271 6.686 -0.279 1.00 0.28 H new ATOM 0 HA LEU A 23 12.874 6.320 2.502 1.00 0.27 H new ATOM 0 HB2 LEU A 23 11.909 5.021 0.539 1.00 0.24 H new ATOM 0 HB3 LEU A 23 13.477 4.260 0.354 1.00 0.24 H new ATOM 0 HG LEU A 23 13.267 3.379 2.693 1.00 0.26 H new ATOM 0 HD11 LEU A 23 11.029 3.347 3.713 1.00 0.31 H new ATOM 0 HD12 LEU A 23 11.658 5.004 3.554 1.00 0.31 H new ATOM 0 HD13 LEU A 23 10.427 4.406 2.416 1.00 0.31 H new ATOM 0 HD21 LEU A 23 11.641 1.621 2.085 1.00 0.25 H new ATOM 0 HD22 LEU A 23 11.068 2.627 0.734 1.00 0.25 H new ATOM 0 HD23 LEU A 23 12.734 2.002 0.733 1.00 0.25 H new ATOM 367 N PRO A 24 15.038 5.439 3.496 1.00 0.30 N ATOM 368 CA PRO A 24 16.332 5.089 4.079 1.00 0.32 C ATOM 369 C PRO A 24 16.819 3.726 3.608 1.00 0.30 C ATOM 370 O PRO A 24 16.055 2.762 3.572 1.00 0.28 O ATOM 371 CB PRO A 24 16.061 5.064 5.579 1.00 0.37 C ATOM 372 CG PRO A 24 14.592 4.900 5.708 1.00 0.36 C ATOM 373 CD PRO A 24 13.999 5.602 4.526 1.00 0.33 C ATOM 0 HA PRO A 24 17.111 5.794 3.790 1.00 0.32 H new ATOM 0 HB2 PRO A 24 16.592 4.243 6.061 1.00 0.37 H new ATOM 0 HB3 PRO A 24 16.397 5.985 6.055 1.00 0.37 H new ATOM 0 HG2 PRO A 24 14.315 3.846 5.716 1.00 0.36 H new ATOM 0 HG3 PRO A 24 14.231 5.332 6.641 1.00 0.36 H new ATOM 0 HD2 PRO A 24 13.053 5.153 4.221 1.00 0.33 H new ATOM 0 HD3 PRO A 24 13.800 6.653 4.737 1.00 0.33 H new ATOM 381 N ALA A 25 18.098 3.659 3.271 1.00 0.32 N ATOM 382 CA ALA A 25 18.723 2.429 2.786 1.00 0.34 C ATOM 383 C ALA A 25 18.503 1.276 3.752 1.00 0.35 C ATOM 384 O ALA A 25 18.265 0.139 3.340 1.00 0.36 O ATOM 385 CB ALA A 25 20.210 2.652 2.594 1.00 0.39 C ATOM 0 H ALA A 25 18.735 4.454 3.325 1.00 0.32 H new ATOM 0 HA ALA A 25 18.260 2.169 1.834 1.00 0.34 H new ATOM 0 HB1 ALA A 25 20.672 1.733 2.233 1.00 0.39 H new ATOM 0 HB2 ALA A 25 20.368 3.448 1.866 1.00 0.39 H new ATOM 0 HB3 ALA A 25 20.661 2.935 3.545 1.00 0.39 H new ATOM 391 N ASP A 26 18.580 1.596 5.036 1.00 0.37 N ATOM 392 CA ASP A 26 18.406 0.618 6.100 1.00 0.40 C ATOM 393 C ASP A 26 17.099 -0.156 5.950 1.00 0.38 C ATOM 394 O ASP A 26 17.078 -1.380 6.050 1.00 0.42 O ATOM 395 CB ASP A 26 18.424 1.316 7.462 1.00 0.46 C ATOM 396 CG ASP A 26 19.739 2.009 7.761 1.00 1.27 C ATOM 397 OD1 ASP A 26 20.065 2.998 7.069 1.00 2.03 O ATOM 398 OD2 ASP A 26 20.442 1.576 8.699 1.00 2.03 O ATOM 0 H ASP A 26 18.765 2.542 5.369 1.00 0.37 H new ATOM 0 HA ASP A 26 19.232 -0.090 6.031 1.00 0.40 H new ATOM 0 HB2 ASP A 26 17.618 2.049 7.498 1.00 0.46 H new ATOM 0 HB3 ASP A 26 18.222 0.582 8.242 1.00 0.46 H new ATOM 403 N LYS A 27 16.013 0.558 5.683 1.00 0.35 N ATOM 404 CA LYS A 27 14.712 -0.082 5.551 1.00 0.36 C ATOM 405 C LYS A 27 14.457 -0.546 4.128 1.00 0.32 C ATOM 406 O LYS A 27 13.644 -1.439 3.904 1.00 0.33 O ATOM 407 CB LYS A 27 13.592 0.857 5.978 1.00 0.39 C ATOM 408 CG LYS A 27 13.893 1.626 7.250 1.00 0.41 C ATOM 409 CD LYS A 27 13.503 0.842 8.495 1.00 0.48 C ATOM 410 CE LYS A 27 13.572 1.714 9.741 1.00 0.72 C ATOM 411 NZ LYS A 27 12.915 1.080 10.915 1.00 0.94 N ATOM 0 H LYS A 27 16.007 1.570 5.555 1.00 0.35 H new ATOM 0 HA LYS A 27 14.723 -0.952 6.207 1.00 0.36 H new ATOM 0 HB2 LYS A 27 13.397 1.566 5.173 1.00 0.39 H new ATOM 0 HB3 LYS A 27 12.679 0.278 6.121 1.00 0.39 H new ATOM 0 HG2 LYS A 27 14.957 1.862 7.288 1.00 0.41 H new ATOM 0 HG3 LYS A 27 13.356 2.575 7.236 1.00 0.41 H new ATOM 0 HD2 LYS A 27 12.493 0.449 8.379 1.00 0.48 H new ATOM 0 HD3 LYS A 27 14.167 -0.015 8.611 1.00 0.48 H new ATOM 0 HE2 LYS A 27 14.615 1.920 9.980 1.00 0.72 H new ATOM 0 HE3 LYS A 27 13.097 2.673 9.536 1.00 0.72 H new ATOM 0 HZ1 LYS A 27 12.989 1.712 11.737 1.00 0.94 H new ATOM 0 HZ2 LYS A 27 11.912 0.907 10.700 1.00 0.94 H new ATOM 0 HZ3 LYS A 27 13.384 0.177 11.130 1.00 0.94 H new ATOM 425 N ILE A 28 15.142 0.070 3.174 1.00 0.30 N ATOM 426 CA ILE A 28 14.987 -0.278 1.768 1.00 0.29 C ATOM 427 C ILE A 28 15.334 -1.743 1.519 1.00 0.34 C ATOM 428 O ILE A 28 14.514 -2.503 1.007 1.00 0.37 O ATOM 429 CB ILE A 28 15.884 0.609 0.871 1.00 0.29 C ATOM 430 CG1 ILE A 28 15.258 1.982 0.666 1.00 0.25 C ATOM 431 CG2 ILE A 28 16.148 -0.051 -0.477 1.00 0.35 C ATOM 432 CD1 ILE A 28 16.113 2.908 -0.179 1.00 0.26 C ATOM 0 H ILE A 28 15.814 0.817 3.350 1.00 0.30 H new ATOM 0 HA ILE A 28 13.941 -0.108 1.513 1.00 0.29 H new ATOM 0 HB ILE A 28 16.838 0.731 1.384 1.00 0.29 H new ATOM 0 HG12 ILE A 28 14.284 1.863 0.191 1.00 0.25 H new ATOM 0 HG13 ILE A 28 15.085 2.444 1.638 1.00 0.25 H new ATOM 0 HG21 ILE A 28 16.781 0.598 -1.082 1.00 0.35 H new ATOM 0 HG22 ILE A 28 16.650 -1.006 -0.322 1.00 0.35 H new ATOM 0 HG23 ILE A 28 15.202 -0.218 -0.992 1.00 0.35 H new ATOM 0 HD11 ILE A 28 15.611 3.869 -0.287 1.00 0.26 H new ATOM 0 HD12 ILE A 28 17.078 3.055 0.306 1.00 0.26 H new ATOM 0 HD13 ILE A 28 16.265 2.465 -1.163 1.00 0.26 H new ATOM 444 N GLU A 29 16.555 -2.126 1.887 1.00 0.37 N ATOM 445 CA GLU A 29 17.024 -3.492 1.687 1.00 0.44 C ATOM 446 C GLU A 29 16.353 -4.443 2.665 1.00 0.43 C ATOM 447 O GLU A 29 16.118 -5.609 2.355 1.00 0.47 O ATOM 448 CB GLU A 29 18.542 -3.556 1.853 1.00 0.52 C ATOM 449 CG GLU A 29 19.277 -2.477 1.076 1.00 0.55 C ATOM 450 CD GLU A 29 20.769 -2.714 1.015 1.00 0.94 C ATOM 451 OE1 GLU A 29 21.420 -2.738 2.081 1.00 1.73 O ATOM 452 OE2 GLU A 29 21.303 -2.867 -0.100 1.00 1.41 O ATOM 0 H GLU A 29 17.237 -1.507 2.326 1.00 0.37 H new ATOM 0 HA GLU A 29 16.762 -3.799 0.674 1.00 0.44 H new ATOM 0 HB2 GLU A 29 18.789 -3.465 2.911 1.00 0.52 H new ATOM 0 HB3 GLU A 29 18.895 -4.534 1.526 1.00 0.52 H new ATOM 0 HG2 GLU A 29 18.879 -2.430 0.062 1.00 0.55 H new ATOM 0 HG3 GLU A 29 19.086 -1.509 1.538 1.00 0.55 H new ATOM 459 N MET A 30 16.031 -3.933 3.838 1.00 0.41 N ATOM 460 CA MET A 30 15.385 -4.729 4.867 1.00 0.43 C ATOM 461 C MET A 30 13.944 -5.076 4.476 1.00 0.40 C ATOM 462 O MET A 30 13.417 -6.118 4.864 1.00 0.41 O ATOM 463 CB MET A 30 15.413 -3.962 6.192 1.00 0.45 C ATOM 464 CG MET A 30 14.628 -4.613 7.319 1.00 0.46 C ATOM 465 SD MET A 30 13.492 -3.455 8.100 1.00 0.63 S ATOM 466 CE MET A 30 12.609 -2.909 6.650 1.00 0.97 C ATOM 0 H MET A 30 16.207 -2.964 4.104 1.00 0.41 H new ATOM 0 HA MET A 30 15.929 -5.667 4.979 1.00 0.43 H new ATOM 0 HB2 MET A 30 16.450 -3.848 6.508 1.00 0.45 H new ATOM 0 HB3 MET A 30 15.019 -2.960 6.024 1.00 0.45 H new ATOM 0 HG2 MET A 30 14.069 -5.463 6.928 1.00 0.46 H new ATOM 0 HG3 MET A 30 15.320 -5.003 8.066 1.00 0.46 H new ATOM 0 HE1 MET A 30 12.458 -1.831 6.701 1.00 0.97 H new ATOM 0 HE2 MET A 30 13.187 -3.153 5.759 1.00 0.97 H new ATOM 0 HE3 MET A 30 11.642 -3.409 6.603 1.00 0.97 H new ATOM 476 N GLY A 31 13.318 -4.201 3.696 1.00 0.39 N ATOM 477 CA GLY A 31 11.944 -4.419 3.287 1.00 0.39 C ATOM 478 C GLY A 31 11.812 -4.720 1.811 1.00 0.43 C ATOM 479 O GLY A 31 10.763 -4.481 1.218 1.00 0.51 O ATOM 0 H GLY A 31 13.739 -3.343 3.339 1.00 0.39 H new ATOM 0 HA2 GLY A 31 11.526 -5.246 3.861 1.00 0.39 H new ATOM 0 HA3 GLY A 31 11.354 -3.535 3.527 1.00 0.39 H new ATOM 483 N ARG A 32 12.854 -5.283 1.225 1.00 0.43 N ATOM 484 CA ARG A 32 12.839 -5.600 -0.195 1.00 0.50 C ATOM 485 C ARG A 32 12.682 -7.093 -0.397 1.00 0.44 C ATOM 486 O ARG A 32 13.315 -7.891 0.297 1.00 0.49 O ATOM 487 CB ARG A 32 14.108 -5.097 -0.900 1.00 0.60 C ATOM 488 CG ARG A 32 15.353 -5.926 -0.618 1.00 0.78 C ATOM 489 CD ARG A 32 16.524 -5.482 -1.474 1.00 0.71 C ATOM 490 NE ARG A 32 17.780 -6.098 -1.049 1.00 1.31 N ATOM 491 CZ ARG A 32 18.978 -5.741 -1.514 1.00 1.49 C ATOM 492 NH1 ARG A 32 19.074 -4.793 -2.447 1.00 1.65 N ATOM 493 NH2 ARG A 32 20.075 -6.338 -1.062 1.00 2.27 N ATOM 0 H ARG A 32 13.719 -5.530 1.707 1.00 0.43 H new ATOM 0 HA ARG A 32 11.987 -5.088 -0.641 1.00 0.50 H new ATOM 0 HB2 ARG A 32 13.931 -5.084 -1.975 1.00 0.60 H new ATOM 0 HB3 ARG A 32 14.295 -4.067 -0.595 1.00 0.60 H new ATOM 0 HG2 ARG A 32 15.618 -5.839 0.436 1.00 0.78 H new ATOM 0 HG3 ARG A 32 15.141 -6.978 -0.808 1.00 0.78 H new ATOM 0 HD2 ARG A 32 16.329 -5.738 -2.515 1.00 0.71 H new ATOM 0 HD3 ARG A 32 16.618 -4.397 -1.425 1.00 0.71 H new ATOM 0 HE ARG A 32 17.738 -6.845 -0.356 1.00 1.31 H new ATOM 0 HH11 ARG A 32 18.232 -4.342 -2.804 1.00 1.65 H new ATOM 0 HH12 ARG A 32 19.990 -4.519 -2.803 1.00 1.65 H new ATOM 0 HH21 ARG A 32 20.003 -7.072 -0.357 1.00 2.27 H new ATOM 0 HH22 ARG A 32 20.990 -6.063 -1.420 1.00 2.27 H new ATOM 507 N ASN A 33 11.808 -7.463 -1.331 1.00 0.53 N ATOM 508 CA ASN A 33 11.559 -8.866 -1.646 1.00 0.67 C ATOM 509 C ASN A 33 11.018 -9.605 -0.426 1.00 0.59 C ATOM 510 O ASN A 33 11.107 -10.833 -0.331 1.00 0.69 O ATOM 511 CB ASN A 33 12.851 -9.532 -2.136 1.00 0.80 C ATOM 512 CG ASN A 33 12.620 -10.440 -3.318 1.00 1.23 C ATOM 513 OD1 ASN A 33 12.373 -11.636 -3.159 1.00 1.72 O ATOM 514 ND2 ASN A 33 12.688 -9.876 -4.511 1.00 1.78 N ATOM 0 H ASN A 33 11.258 -6.806 -1.885 1.00 0.53 H new ATOM 0 HA ASN A 33 10.811 -8.915 -2.437 1.00 0.67 H new ATOM 0 HB2 ASN A 33 13.572 -8.762 -2.409 1.00 0.80 H new ATOM 0 HB3 ASN A 33 13.292 -10.106 -1.321 1.00 0.80 H new ATOM 0 HD21 ASN A 33 12.533 -10.436 -5.349 1.00 1.78 H new ATOM 0 HD22 ASN A 33 12.896 -8.881 -4.594 1.00 1.78 H new ATOM 521 N CYS A 34 10.442 -8.847 0.496 1.00 0.47 N ATOM 522 CA CYS A 34 9.898 -9.408 1.720 1.00 0.41 C ATOM 523 C CYS A 34 8.434 -9.801 1.526 1.00 0.41 C ATOM 524 O CYS A 34 7.780 -9.332 0.595 1.00 0.48 O ATOM 525 CB CYS A 34 10.044 -8.387 2.847 1.00 0.38 C ATOM 526 SG CYS A 34 9.235 -6.808 2.506 1.00 1.16 S ATOM 0 H CYS A 34 10.340 -7.835 0.417 1.00 0.47 H new ATOM 0 HA CYS A 34 10.450 -10.310 1.983 1.00 0.41 H new ATOM 0 HB2 CYS A 34 9.628 -8.808 3.763 1.00 0.38 H new ATOM 0 HB3 CYS A 34 11.104 -8.210 3.030 1.00 0.38 H new ATOM 0 HG CYS A 34 8.297 -6.983 1.623 1.00 1.16 H new ATOM 532 N LYS A 35 7.923 -10.663 2.397 1.00 0.39 N ATOM 533 CA LYS A 35 6.542 -11.111 2.286 1.00 0.42 C ATOM 534 C LYS A 35 5.599 -10.266 3.142 1.00 0.38 C ATOM 535 O LYS A 35 5.495 -10.451 4.357 1.00 0.40 O ATOM 536 CB LYS A 35 6.415 -12.596 2.648 1.00 0.47 C ATOM 537 CG LYS A 35 6.974 -12.971 4.018 1.00 0.48 C ATOM 538 CD LYS A 35 6.330 -14.246 4.539 1.00 1.13 C ATOM 539 CE LYS A 35 4.871 -14.022 4.918 1.00 1.64 C ATOM 540 NZ LYS A 35 4.010 -15.177 4.541 1.00 2.49 N ATOM 0 H LYS A 35 8.439 -11.062 3.181 1.00 0.39 H new ATOM 0 HA LYS A 35 6.245 -10.983 1.245 1.00 0.42 H new ATOM 0 HB2 LYS A 35 5.362 -12.876 2.612 1.00 0.47 H new ATOM 0 HB3 LYS A 35 6.928 -13.186 1.888 1.00 0.47 H new ATOM 0 HG2 LYS A 35 8.053 -13.106 3.950 1.00 0.48 H new ATOM 0 HG3 LYS A 35 6.799 -12.157 4.721 1.00 0.48 H new ATOM 0 HD2 LYS A 35 6.394 -15.024 3.778 1.00 1.13 H new ATOM 0 HD3 LYS A 35 6.882 -14.604 5.408 1.00 1.13 H new ATOM 0 HE2 LYS A 35 4.798 -13.852 5.992 1.00 1.64 H new ATOM 0 HE3 LYS A 35 4.504 -13.121 4.427 1.00 1.64 H new ATOM 0 HZ1 LYS A 35 3.111 -14.827 4.153 1.00 2.49 H new ATOM 0 HZ2 LYS A 35 4.496 -15.753 3.824 1.00 2.49 H new ATOM 0 HZ3 LYS A 35 3.822 -15.759 5.382 1.00 2.49 H new ATOM 554 N ILE A 36 4.937 -9.316 2.503 1.00 0.36 N ATOM 555 CA ILE A 36 3.983 -8.451 3.182 1.00 0.34 C ATOM 556 C ILE A 36 2.570 -8.991 3.023 1.00 0.33 C ATOM 557 O ILE A 36 2.112 -9.226 1.903 1.00 0.41 O ATOM 558 CB ILE A 36 4.008 -7.004 2.638 1.00 0.41 C ATOM 559 CG1 ILE A 36 5.438 -6.490 2.521 1.00 0.65 C ATOM 560 CG2 ILE A 36 3.194 -6.088 3.542 1.00 0.32 C ATOM 561 CD1 ILE A 36 6.193 -6.509 3.831 1.00 0.66 C ATOM 0 H ILE A 36 5.043 -9.122 1.507 1.00 0.36 H new ATOM 0 HA ILE A 36 4.276 -8.436 4.232 1.00 0.34 H new ATOM 0 HB ILE A 36 3.564 -7.007 1.643 1.00 0.41 H new ATOM 0 HG12 ILE A 36 5.975 -7.096 1.792 1.00 0.65 H new ATOM 0 HG13 ILE A 36 5.419 -5.470 2.136 1.00 0.65 H new ATOM 0 HG21 ILE A 36 3.219 -5.072 3.148 1.00 0.32 H new ATOM 0 HG22 ILE A 36 2.162 -6.437 3.579 1.00 0.32 H new ATOM 0 HG23 ILE A 36 3.617 -6.098 4.546 1.00 0.32 H new ATOM 0 HD11 ILE A 36 7.203 -6.130 3.674 1.00 0.66 H new ATOM 0 HD12 ILE A 36 5.678 -5.880 4.557 1.00 0.66 H new ATOM 0 HD13 ILE A 36 6.243 -7.531 4.207 1.00 0.66 H new ATOM 573 N VAL A 37 1.890 -9.200 4.134 1.00 0.29 N ATOM 574 CA VAL A 37 0.525 -9.693 4.098 1.00 0.29 C ATOM 575 C VAL A 37 -0.445 -8.537 4.278 1.00 0.30 C ATOM 576 O VAL A 37 -0.295 -7.731 5.196 1.00 0.37 O ATOM 577 CB VAL A 37 0.255 -10.745 5.191 1.00 0.29 C ATOM 578 CG1 VAL A 37 -1.013 -11.524 4.887 1.00 0.31 C ATOM 579 CG2 VAL A 37 1.442 -11.685 5.348 1.00 0.32 C ATOM 0 H VAL A 37 2.259 -9.037 5.071 1.00 0.29 H new ATOM 0 HA VAL A 37 0.381 -10.168 3.128 1.00 0.29 H new ATOM 0 HB VAL A 37 0.114 -10.220 6.136 1.00 0.29 H new ATOM 0 HG11 VAL A 37 -1.184 -12.261 5.672 1.00 0.31 H new ATOM 0 HG12 VAL A 37 -1.859 -10.838 4.842 1.00 0.31 H new ATOM 0 HG13 VAL A 37 -0.907 -12.032 3.929 1.00 0.31 H new ATOM 0 HG21 VAL A 37 1.226 -12.418 6.126 1.00 0.32 H new ATOM 0 HG22 VAL A 37 1.625 -12.200 4.405 1.00 0.32 H new ATOM 0 HG23 VAL A 37 2.326 -11.111 5.626 1.00 0.32 H new ATOM 589 N THR A 38 -1.421 -8.449 3.399 1.00 0.25 N ATOM 590 CA THR A 38 -2.415 -7.392 3.464 1.00 0.26 C ATOM 591 C THR A 38 -3.786 -7.971 3.759 1.00 0.24 C ATOM 592 O THR A 38 -4.372 -8.635 2.914 1.00 0.23 O ATOM 593 CB THR A 38 -2.480 -6.591 2.151 1.00 0.27 C ATOM 594 OG1 THR A 38 -1.152 -6.276 1.701 1.00 0.33 O ATOM 595 CG2 THR A 38 -3.280 -5.312 2.353 1.00 0.30 C ATOM 0 H THR A 38 -1.550 -9.101 2.625 1.00 0.25 H new ATOM 0 HA THR A 38 -2.116 -6.719 4.268 1.00 0.26 H new ATOM 0 HB THR A 38 -2.976 -7.198 1.394 1.00 0.27 H new ATOM 0 HG1 THR A 38 -1.202 -5.768 0.865 1.00 0.33 H new ATOM 0 HG21 THR A 38 -3.318 -4.755 1.417 1.00 0.30 H new ATOM 0 HG22 THR A 38 -4.293 -5.562 2.668 1.00 0.30 H new ATOM 0 HG23 THR A 38 -2.802 -4.701 3.119 1.00 0.30 H new ATOM 603 N GLU A 39 -4.284 -7.740 4.958 1.00 0.25 N ATOM 604 CA GLU A 39 -5.591 -8.246 5.338 1.00 0.25 C ATOM 605 C GLU A 39 -6.641 -7.169 5.144 1.00 0.24 C ATOM 606 O GLU A 39 -6.577 -6.109 5.770 1.00 0.28 O ATOM 607 CB GLU A 39 -5.585 -8.721 6.789 1.00 0.28 C ATOM 608 CG GLU A 39 -4.568 -9.815 7.058 1.00 0.38 C ATOM 609 CD GLU A 39 -4.695 -10.401 8.449 1.00 0.66 C ATOM 610 OE1 GLU A 39 -4.479 -9.663 9.436 1.00 1.39 O ATOM 611 OE2 GLU A 39 -5.002 -11.605 8.562 1.00 1.24 O ATOM 0 H GLU A 39 -3.806 -7.207 5.685 1.00 0.25 H new ATOM 0 HA GLU A 39 -5.832 -9.096 4.700 1.00 0.25 H new ATOM 0 HB2 GLU A 39 -5.377 -7.873 7.441 1.00 0.28 H new ATOM 0 HB3 GLU A 39 -6.579 -9.086 7.049 1.00 0.28 H new ATOM 0 HG2 GLU A 39 -4.691 -10.609 6.321 1.00 0.38 H new ATOM 0 HG3 GLU A 39 -3.564 -9.412 6.928 1.00 0.38 H new ATOM 618 N VAL A 40 -7.585 -7.435 4.254 1.00 0.20 N ATOM 619 CA VAL A 40 -8.656 -6.497 3.960 1.00 0.20 C ATOM 620 C VAL A 40 -9.996 -7.036 4.442 1.00 0.21 C ATOM 621 O VAL A 40 -10.407 -8.128 4.050 1.00 0.20 O ATOM 622 CB VAL A 40 -8.757 -6.215 2.449 1.00 0.20 C ATOM 623 CG1 VAL A 40 -9.892 -5.249 2.150 1.00 0.22 C ATOM 624 CG2 VAL A 40 -7.443 -5.666 1.918 1.00 0.22 C ATOM 0 H VAL A 40 -7.630 -8.302 3.718 1.00 0.20 H new ATOM 0 HA VAL A 40 -8.419 -5.571 4.484 1.00 0.20 H new ATOM 0 HB VAL A 40 -8.970 -7.158 1.945 1.00 0.20 H new ATOM 0 HG11 VAL A 40 -9.941 -5.067 1.076 1.00 0.22 H new ATOM 0 HG12 VAL A 40 -10.835 -5.679 2.489 1.00 0.22 H new ATOM 0 HG13 VAL A 40 -9.715 -4.308 2.670 1.00 0.22 H new ATOM 0 HG21 VAL A 40 -7.535 -5.473 0.849 1.00 0.22 H new ATOM 0 HG22 VAL A 40 -7.201 -4.737 2.435 1.00 0.22 H new ATOM 0 HG23 VAL A 40 -6.649 -6.393 2.089 1.00 0.22 H new ATOM 634 N VAL A 41 -10.659 -6.278 5.302 1.00 0.24 N ATOM 635 CA VAL A 41 -11.965 -6.662 5.816 1.00 0.27 C ATOM 636 C VAL A 41 -13.026 -5.732 5.233 1.00 0.29 C ATOM 637 O VAL A 41 -12.844 -4.515 5.216 1.00 0.31 O ATOM 638 CB VAL A 41 -12.014 -6.607 7.359 1.00 0.31 C ATOM 639 CG1 VAL A 41 -13.412 -6.911 7.869 1.00 0.70 C ATOM 640 CG2 VAL A 41 -10.993 -7.565 7.957 1.00 0.95 C ATOM 0 H VAL A 41 -10.312 -5.388 5.660 1.00 0.24 H new ATOM 0 HA VAL A 41 -12.159 -7.692 5.517 1.00 0.27 H new ATOM 0 HB VAL A 41 -11.759 -5.595 7.675 1.00 0.31 H new ATOM 0 HG11 VAL A 41 -13.420 -6.866 8.958 1.00 0.70 H new ATOM 0 HG12 VAL A 41 -14.112 -6.177 7.470 1.00 0.70 H new ATOM 0 HG13 VAL A 41 -13.709 -7.909 7.545 1.00 0.70 H new ATOM 0 HG21 VAL A 41 -11.040 -7.514 9.045 1.00 0.95 H new ATOM 0 HG22 VAL A 41 -11.213 -8.582 7.631 1.00 0.95 H new ATOM 0 HG23 VAL A 41 -9.993 -7.286 7.624 1.00 0.95 H new ATOM 650 N GLN A 42 -14.113 -6.300 4.731 1.00 0.31 N ATOM 651 CA GLN A 42 -15.182 -5.509 4.140 1.00 0.36 C ATOM 652 C GLN A 42 -16.134 -4.950 5.194 1.00 0.30 C ATOM 653 O GLN A 42 -16.825 -5.700 5.886 1.00 0.42 O ATOM 654 CB GLN A 42 -15.972 -6.361 3.146 1.00 0.53 C ATOM 655 CG GLN A 42 -17.249 -5.704 2.655 1.00 1.14 C ATOM 656 CD GLN A 42 -16.982 -4.470 1.825 1.00 1.35 C ATOM 657 OE1 GLN A 42 -16.794 -3.377 2.356 1.00 2.06 O ATOM 658 NE2 GLN A 42 -16.969 -4.636 0.515 1.00 1.59 N ATOM 0 H GLN A 42 -14.278 -7.307 4.721 1.00 0.31 H new ATOM 0 HA GLN A 42 -14.717 -4.667 3.628 1.00 0.36 H new ATOM 0 HB2 GLN A 42 -15.337 -6.585 2.289 1.00 0.53 H new ATOM 0 HB3 GLN A 42 -16.221 -7.313 3.615 1.00 0.53 H new ATOM 0 HG2 GLN A 42 -17.818 -6.420 2.062 1.00 1.14 H new ATOM 0 HG3 GLN A 42 -17.868 -5.435 3.511 1.00 1.14 H new ATOM 0 HE21 GLN A 42 -17.130 -5.561 0.117 1.00 1.59 H new ATOM 0 HE22 GLN A 42 -16.798 -3.839 -0.098 1.00 1.59 H new ATOM 667 N ASN A 43 -16.172 -3.629 5.300 1.00 0.30 N ATOM 668 CA ASN A 43 -17.064 -2.964 6.239 1.00 0.37 C ATOM 669 C ASN A 43 -17.854 -1.880 5.518 1.00 0.34 C ATOM 670 O ASN A 43 -17.650 -0.688 5.760 1.00 0.37 O ATOM 671 CB ASN A 43 -16.270 -2.329 7.384 1.00 0.53 C ATOM 672 CG ASN A 43 -15.497 -3.329 8.212 1.00 0.97 C ATOM 673 OD1 ASN A 43 -16.008 -4.385 8.591 1.00 1.44 O ATOM 674 ND2 ASN A 43 -14.250 -2.998 8.490 1.00 1.73 N ATOM 0 H ASN A 43 -15.595 -2.996 4.746 1.00 0.30 H new ATOM 0 HA ASN A 43 -17.745 -3.709 6.651 1.00 0.37 H new ATOM 0 HB2 ASN A 43 -15.575 -1.597 6.971 1.00 0.53 H new ATOM 0 HB3 ASN A 43 -16.956 -1.786 8.033 1.00 0.53 H new ATOM 0 HD21 ASN A 43 -13.666 -3.627 9.040 1.00 1.73 H new ATOM 0 HD22 ASN A 43 -13.870 -2.113 8.154 1.00 1.73 H new ATOM 681 N GLY A 44 -18.773 -2.294 4.658 1.00 0.35 N ATOM 682 CA GLY A 44 -19.567 -1.347 3.900 1.00 0.37 C ATOM 683 C GLY A 44 -18.714 -0.538 2.937 1.00 0.34 C ATOM 684 O GLY A 44 -18.478 -0.950 1.804 1.00 0.40 O ATOM 0 H GLY A 44 -18.984 -3.274 4.470 1.00 0.35 H new ATOM 0 HA2 GLY A 44 -20.336 -1.882 3.343 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -20.080 -0.673 4.585 1.00 0.37 H new ATOM 688 N ASN A 45 -18.251 0.620 3.392 1.00 0.31 N ATOM 689 CA ASN A 45 -17.395 1.480 2.580 1.00 0.29 C ATOM 690 C ASN A 45 -16.055 1.670 3.272 1.00 0.28 C ATOM 691 O ASN A 45 -15.173 2.369 2.774 1.00 0.29 O ATOM 692 CB ASN A 45 -18.054 2.837 2.316 1.00 0.32 C ATOM 693 CG ASN A 45 -18.703 2.908 0.944 1.00 0.38 C ATOM 694 OD1 ASN A 45 -18.753 3.969 0.328 1.00 0.41 O ATOM 695 ND2 ASN A 45 -19.195 1.778 0.451 1.00 0.43 N ATOM 0 H ASN A 45 -18.454 0.987 4.322 1.00 0.31 H new ATOM 0 HA ASN A 45 -17.240 0.995 1.616 1.00 0.29 H new ATOM 0 HB2 ASN A 45 -18.806 3.028 3.081 1.00 0.32 H new ATOM 0 HB3 ASN A 45 -17.305 3.624 2.402 1.00 0.32 H new ATOM 0 HD21 ASN A 45 -19.633 1.772 -0.470 1.00 0.43 H new ATOM 0 HD22 ASN A 45 -19.135 0.916 0.993 1.00 0.43 H new ATOM 702 N ASP A 46 -15.913 1.043 4.434 1.00 0.30 N ATOM 703 CA ASP A 46 -14.680 1.126 5.203 1.00 0.29 C ATOM 704 C ASP A 46 -13.855 -0.134 4.996 1.00 0.28 C ATOM 705 O ASP A 46 -14.211 -1.210 5.472 1.00 0.36 O ATOM 706 CB ASP A 46 -15.002 1.315 6.693 1.00 0.33 C ATOM 707 CG ASP A 46 -13.772 1.556 7.549 1.00 0.61 C ATOM 708 OD1 ASP A 46 -13.215 2.671 7.492 1.00 1.29 O ATOM 709 OD2 ASP A 46 -13.378 0.645 8.306 1.00 1.36 O ATOM 0 H ASP A 46 -16.639 0.470 4.864 1.00 0.30 H new ATOM 0 HA ASP A 46 -14.102 1.984 4.859 1.00 0.29 H new ATOM 0 HB2 ASP A 46 -15.685 2.157 6.806 1.00 0.33 H new ATOM 0 HB3 ASP A 46 -15.523 0.431 7.060 1.00 0.33 H new ATOM 714 N PHE A 47 -12.762 0.001 4.271 1.00 0.23 N ATOM 715 CA PHE A 47 -11.887 -1.120 4.011 1.00 0.23 C ATOM 716 C PHE A 47 -10.659 -1.023 4.889 1.00 0.23 C ATOM 717 O PHE A 47 -10.022 0.031 4.978 1.00 0.24 O ATOM 718 CB PHE A 47 -11.490 -1.164 2.534 1.00 0.25 C ATOM 719 CG PHE A 47 -12.644 -1.457 1.618 1.00 0.26 C ATOM 720 CD1 PHE A 47 -13.461 -0.434 1.167 1.00 0.81 C ATOM 721 CD2 PHE A 47 -12.913 -2.755 1.213 1.00 0.97 C ATOM 722 CE1 PHE A 47 -14.527 -0.699 0.329 1.00 0.82 C ATOM 723 CE2 PHE A 47 -13.977 -3.026 0.374 1.00 1.00 C ATOM 724 CZ PHE A 47 -14.783 -1.997 -0.070 1.00 0.34 C ATOM 0 H PHE A 47 -12.460 0.880 3.851 1.00 0.23 H new ATOM 0 HA PHE A 47 -12.418 -2.043 4.244 1.00 0.23 H new ATOM 0 HB2 PHE A 47 -11.047 -0.208 2.255 1.00 0.25 H new ATOM 0 HB3 PHE A 47 -10.721 -1.924 2.394 1.00 0.25 H new ATOM 0 HD1 PHE A 47 -13.263 0.582 1.474 1.00 0.81 H new ATOM 0 HD2 PHE A 47 -12.284 -3.563 1.557 1.00 0.97 H new ATOM 0 HE1 PHE A 47 -15.159 0.107 -0.014 1.00 0.82 H new ATOM 0 HE2 PHE A 47 -14.178 -4.042 0.066 1.00 1.00 H new ATOM 0 HZ PHE A 47 -15.613 -2.206 -0.729 1.00 0.34 H new ATOM 734 N THR A 48 -10.346 -2.109 5.562 1.00 0.26 N ATOM 735 CA THR A 48 -9.196 -2.145 6.437 1.00 0.27 C ATOM 736 C THR A 48 -7.977 -2.651 5.682 1.00 0.28 C ATOM 737 O THR A 48 -8.017 -3.716 5.071 1.00 0.38 O ATOM 738 CB THR A 48 -9.464 -3.038 7.658 1.00 0.29 C ATOM 739 OG1 THR A 48 -10.325 -4.121 7.284 1.00 0.53 O ATOM 740 CG2 THR A 48 -10.106 -2.235 8.778 1.00 0.56 C ATOM 0 H THR A 48 -10.874 -2.981 5.519 1.00 0.26 H new ATOM 0 HA THR A 48 -9.004 -1.131 6.787 1.00 0.27 H new ATOM 0 HB THR A 48 -8.514 -3.434 8.015 1.00 0.29 H new ATOM 0 HG1 THR A 48 -9.901 -4.972 7.519 1.00 0.53 H new ATOM 0 HG21 THR A 48 -10.288 -2.885 9.634 1.00 0.56 H new ATOM 0 HG22 THR A 48 -9.439 -1.425 9.073 1.00 0.56 H new ATOM 0 HG23 THR A 48 -11.052 -1.819 8.431 1.00 0.56 H new ATOM 748 N TRP A 49 -6.912 -1.871 5.709 1.00 0.23 N ATOM 749 CA TRP A 49 -5.684 -2.233 5.032 1.00 0.23 C ATOM 750 C TRP A 49 -4.617 -2.560 6.060 1.00 0.23 C ATOM 751 O TRP A 49 -4.055 -1.667 6.695 1.00 0.24 O ATOM 752 CB TRP A 49 -5.215 -1.089 4.133 1.00 0.25 C ATOM 753 CG TRP A 49 -4.921 -1.516 2.727 1.00 0.28 C ATOM 754 CD1 TRP A 49 -3.688 -1.704 2.165 1.00 0.34 C ATOM 755 CD2 TRP A 49 -5.877 -1.811 1.703 1.00 0.30 C ATOM 756 NE1 TRP A 49 -3.822 -2.102 0.858 1.00 0.38 N ATOM 757 CE2 TRP A 49 -5.156 -2.173 0.549 1.00 0.36 C ATOM 758 CE3 TRP A 49 -7.274 -1.808 1.648 1.00 0.32 C ATOM 759 CZ2 TRP A 49 -5.784 -2.526 -0.642 1.00 0.41 C ATOM 760 CZ3 TRP A 49 -7.896 -2.156 0.465 1.00 0.38 C ATOM 761 CH2 TRP A 49 -7.151 -2.513 -0.665 1.00 0.42 C ATOM 0 H TRP A 49 -6.875 -0.976 6.197 1.00 0.23 H new ATOM 0 HA TRP A 49 -5.865 -3.109 4.409 1.00 0.23 H new ATOM 0 HB2 TRP A 49 -5.981 -0.313 4.116 1.00 0.25 H new ATOM 0 HB3 TRP A 49 -4.319 -0.643 4.564 1.00 0.25 H new ATOM 0 HD1 TRP A 49 -2.747 -1.560 2.675 1.00 0.34 H new ATOM 0 HE1 TRP A 49 -3.054 -2.311 0.220 1.00 0.38 H new ATOM 0 HE3 TRP A 49 -7.857 -1.538 2.516 1.00 0.32 H new ATOM 0 HZ2 TRP A 49 -5.212 -2.800 -1.516 1.00 0.41 H new ATOM 0 HZ3 TRP A 49 -8.975 -2.153 0.411 1.00 0.38 H new ATOM 0 HH2 TRP A 49 -7.667 -2.784 -1.574 1.00 0.42 H new ATOM 772 N THR A 50 -4.363 -3.839 6.248 1.00 0.22 N ATOM 773 CA THR A 50 -3.364 -4.271 7.209 1.00 0.24 C ATOM 774 C THR A 50 -2.090 -4.709 6.504 1.00 0.25 C ATOM 775 O THR A 50 -2.148 -5.443 5.524 1.00 0.35 O ATOM 776 CB THR A 50 -3.883 -5.440 8.066 1.00 0.26 C ATOM 777 OG1 THR A 50 -5.261 -5.232 8.402 1.00 0.27 O ATOM 778 CG2 THR A 50 -3.062 -5.586 9.339 1.00 0.28 C ATOM 0 H THR A 50 -4.832 -4.596 5.751 1.00 0.22 H new ATOM 0 HA THR A 50 -3.151 -3.419 7.855 1.00 0.24 H new ATOM 0 HB THR A 50 -3.787 -6.356 7.483 1.00 0.26 H new ATOM 0 HG1 THR A 50 -5.823 -5.459 7.632 1.00 0.27 H new ATOM 0 HG21 THR A 50 -3.448 -6.418 9.927 1.00 0.28 H new ATOM 0 HG22 THR A 50 -2.020 -5.777 9.080 1.00 0.28 H new ATOM 0 HG23 THR A 50 -3.129 -4.668 9.922 1.00 0.28 H new ATOM 786 N GLN A 51 -0.952 -4.234 6.984 1.00 0.22 N ATOM 787 CA GLN A 51 0.334 -4.616 6.418 1.00 0.23 C ATOM 788 C GLN A 51 1.136 -5.378 7.460 1.00 0.22 C ATOM 789 O GLN A 51 1.542 -4.808 8.477 1.00 0.24 O ATOM 790 CB GLN A 51 1.136 -3.383 5.984 1.00 0.27 C ATOM 791 CG GLN A 51 0.503 -2.566 4.869 1.00 0.56 C ATOM 792 CD GLN A 51 0.598 -3.240 3.516 1.00 0.71 C ATOM 793 OE1 GLN A 51 1.567 -3.055 2.777 1.00 1.62 O ATOM 794 NE2 GLN A 51 -0.408 -4.022 3.177 1.00 0.82 N ATOM 0 H GLN A 51 -0.892 -3.582 7.766 1.00 0.22 H new ATOM 0 HA GLN A 51 0.149 -5.240 5.544 1.00 0.23 H new ATOM 0 HB2 GLN A 51 1.279 -2.738 6.851 1.00 0.27 H new ATOM 0 HB3 GLN A 51 2.125 -3.707 5.660 1.00 0.27 H new ATOM 0 HG2 GLN A 51 -0.546 -2.387 5.107 1.00 0.56 H new ATOM 0 HG3 GLN A 51 0.989 -1.592 4.819 1.00 0.56 H new ATOM 0 HE21 GLN A 51 -1.192 -4.150 3.816 1.00 0.82 H new ATOM 0 HE22 GLN A 51 -0.402 -4.499 2.275 1.00 0.82 H new ATOM 803 N HIS A 52 1.411 -6.632 7.186 1.00 0.22 N ATOM 804 CA HIS A 52 2.160 -7.457 8.112 1.00 0.23 C ATOM 805 C HIS A 52 3.582 -7.636 7.646 1.00 0.23 C ATOM 806 O HIS A 52 3.832 -8.050 6.516 1.00 0.26 O ATOM 807 CB HIS A 52 1.494 -8.822 8.282 1.00 0.24 C ATOM 808 CG HIS A 52 0.228 -8.800 9.079 1.00 0.26 C ATOM 809 ND1 HIS A 52 0.249 -8.796 10.455 1.00 0.34 N ATOM 810 CD2 HIS A 52 -1.057 -8.799 8.654 1.00 0.32 C ATOM 811 CE1 HIS A 52 -1.017 -8.803 10.832 1.00 0.37 C ATOM 812 NE2 HIS A 52 -1.846 -8.807 9.775 1.00 0.35 N ATOM 0 H HIS A 52 1.128 -7.106 6.328 1.00 0.22 H new ATOM 0 HA HIS A 52 2.171 -6.948 9.076 1.00 0.23 H new ATOM 0 HB2 HIS A 52 1.280 -9.233 7.295 1.00 0.24 H new ATOM 0 HB3 HIS A 52 2.200 -9.499 8.763 1.00 0.24 H new ATOM 0 HD2 HIS A 52 -1.396 -8.793 7.629 1.00 0.32 H new ATOM 0 HE1 HIS A 52 -1.345 -8.805 11.861 1.00 0.37 H new ATOM 0 HE2 HIS A 52 -2.866 -8.815 9.801 1.00 0.35 H new ATOM 820 N PHE A 53 4.508 -7.312 8.525 1.00 0.25 N ATOM 821 CA PHE A 53 5.913 -7.442 8.217 1.00 0.27 C ATOM 822 C PHE A 53 6.478 -8.649 8.951 1.00 0.31 C ATOM 823 O PHE A 53 6.332 -8.754 10.171 1.00 0.34 O ATOM 824 CB PHE A 53 6.659 -6.170 8.616 1.00 0.24 C ATOM 825 CG PHE A 53 7.949 -5.987 7.890 1.00 0.26 C ATOM 826 CD1 PHE A 53 8.024 -6.218 6.533 1.00 1.20 C ATOM 827 CD2 PHE A 53 9.083 -5.592 8.568 1.00 1.13 C ATOM 828 CE1 PHE A 53 9.217 -6.062 5.858 1.00 1.23 C ATOM 829 CE2 PHE A 53 10.279 -5.432 7.902 1.00 1.13 C ATOM 830 CZ PHE A 53 10.348 -5.668 6.546 1.00 0.34 C ATOM 0 H PHE A 53 4.310 -6.956 9.460 1.00 0.25 H new ATOM 0 HA PHE A 53 6.040 -7.587 7.144 1.00 0.27 H new ATOM 0 HB2 PHE A 53 6.019 -5.308 8.427 1.00 0.24 H new ATOM 0 HB3 PHE A 53 6.854 -6.193 9.688 1.00 0.24 H new ATOM 0 HD1 PHE A 53 7.140 -6.524 5.993 1.00 1.20 H new ATOM 0 HD2 PHE A 53 9.033 -5.406 9.631 1.00 1.13 H new ATOM 0 HE1 PHE A 53 9.266 -6.247 4.795 1.00 1.23 H new ATOM 0 HE2 PHE A 53 11.161 -5.122 8.442 1.00 1.13 H new ATOM 0 HZ PHE A 53 11.285 -5.545 6.022 1.00 0.34 H new ATOM 840 N PRO A 54 7.115 -9.578 8.220 1.00 0.35 N ATOM 841 CA PRO A 54 7.677 -10.792 8.814 1.00 0.41 C ATOM 842 C PRO A 54 8.764 -10.472 9.832 1.00 0.39 C ATOM 843 O PRO A 54 9.838 -9.978 9.479 1.00 0.37 O ATOM 844 CB PRO A 54 8.265 -11.541 7.609 1.00 0.46 C ATOM 845 CG PRO A 54 8.462 -10.503 6.563 1.00 0.45 C ATOM 846 CD PRO A 54 7.362 -9.506 6.770 1.00 0.39 C ATOM 0 HA PRO A 54 6.931 -11.369 9.360 1.00 0.41 H new ATOM 0 HB2 PRO A 54 9.208 -12.024 7.867 1.00 0.46 H new ATOM 0 HB3 PRO A 54 7.590 -12.324 7.264 1.00 0.46 H new ATOM 0 HG2 PRO A 54 9.440 -10.032 6.658 1.00 0.45 H new ATOM 0 HG3 PRO A 54 8.413 -10.938 5.565 1.00 0.45 H new ATOM 0 HD2 PRO A 54 7.662 -8.505 6.461 1.00 0.39 H new ATOM 0 HD3 PRO A 54 6.472 -9.763 6.196 1.00 0.39 H new ATOM 854 N GLY A 55 8.480 -10.764 11.095 1.00 0.43 N ATOM 855 CA GLY A 55 9.428 -10.505 12.156 1.00 0.46 C ATOM 856 C GLY A 55 9.701 -9.025 12.341 1.00 0.41 C ATOM 857 O GLY A 55 10.801 -8.644 12.737 1.00 0.43 O ATOM 0 H GLY A 55 7.601 -11.179 11.403 1.00 0.43 H new ATOM 0 HA2 GLY A 55 9.047 -10.920 13.089 1.00 0.46 H new ATOM 0 HA3 GLY A 55 10.364 -11.019 11.937 1.00 0.46 H new ATOM 861 N GLY A 56 8.718 -8.186 12.042 1.00 0.37 N ATOM 862 CA GLY A 56 8.912 -6.759 12.194 1.00 0.34 C ATOM 863 C GLY A 56 7.654 -6.008 12.589 1.00 0.35 C ATOM 864 O GLY A 56 6.656 -6.608 13.011 1.00 0.41 O ATOM 0 H GLY A 56 7.798 -8.465 11.700 1.00 0.37 H new ATOM 0 HA2 GLY A 56 9.680 -6.585 12.948 1.00 0.34 H new ATOM 0 HA3 GLY A 56 9.288 -6.351 11.256 1.00 0.34 H new ATOM 868 N ARG A 57 7.736 -4.685 12.465 1.00 0.34 N ATOM 869 CA ARG A 57 6.640 -3.771 12.792 1.00 0.38 C ATOM 870 C ARG A 57 5.427 -4.031 11.915 1.00 0.31 C ATOM 871 O ARG A 57 5.553 -4.534 10.799 1.00 0.28 O ATOM 872 CB ARG A 57 7.087 -2.300 12.653 1.00 0.45 C ATOM 873 CG ARG A 57 7.218 -1.793 11.218 1.00 0.43 C ATOM 874 CD ARG A 57 5.946 -1.091 10.721 1.00 0.53 C ATOM 875 NE ARG A 57 5.170 -1.918 9.800 1.00 1.58 N ATOM 876 CZ ARG A 57 5.633 -2.454 8.672 1.00 2.33 C ATOM 877 NH1 ARG A 57 6.862 -2.178 8.245 1.00 2.27 N ATOM 878 NH2 ARG A 57 4.843 -3.256 7.962 1.00 3.34 N ATOM 0 H ARG A 57 8.575 -4.210 12.131 1.00 0.34 H new ATOM 0 HA ARG A 57 6.361 -3.954 13.830 1.00 0.38 H new ATOM 0 HB2 ARG A 57 6.372 -1.668 13.181 1.00 0.45 H new ATOM 0 HB3 ARG A 57 8.048 -2.180 13.153 1.00 0.45 H new ATOM 0 HG2 ARG A 57 8.058 -1.101 11.156 1.00 0.43 H new ATOM 0 HG3 ARG A 57 7.447 -2.631 10.560 1.00 0.43 H new ATOM 0 HD2 ARG A 57 5.325 -0.825 11.576 1.00 0.53 H new ATOM 0 HD3 ARG A 57 6.220 -0.160 10.225 1.00 0.53 H new ATOM 0 HE ARG A 57 4.195 -2.099 10.040 1.00 1.58 H new ATOM 0 HH11 ARG A 57 7.460 -1.550 8.783 1.00 2.27 H new ATOM 0 HH12 ARG A 57 7.207 -2.594 7.380 1.00 2.27 H new ATOM 0 HH21 ARG A 57 3.895 -3.454 8.284 1.00 3.34 H new ATOM 0 HH22 ARG A 57 5.185 -3.673 7.096 1.00 3.34 H new ATOM 892 N THR A 58 4.259 -3.719 12.424 1.00 0.36 N ATOM 893 CA THR A 58 3.043 -3.904 11.667 1.00 0.31 C ATOM 894 C THR A 58 2.333 -2.564 11.477 1.00 0.28 C ATOM 895 O THR A 58 2.584 -1.607 12.212 1.00 0.33 O ATOM 896 CB THR A 58 2.125 -4.934 12.343 1.00 0.35 C ATOM 897 OG1 THR A 58 1.166 -5.438 11.405 1.00 0.34 O ATOM 898 CG2 THR A 58 1.403 -4.349 13.545 1.00 0.39 C ATOM 0 H THR A 58 4.124 -3.336 13.360 1.00 0.36 H new ATOM 0 HA THR A 58 3.301 -4.296 10.683 1.00 0.31 H new ATOM 0 HB THR A 58 2.758 -5.749 12.694 1.00 0.35 H new ATOM 0 HG1 THR A 58 1.405 -5.142 10.502 1.00 0.34 H new ATOM 0 HG21 THR A 58 0.765 -5.111 13.993 1.00 0.39 H new ATOM 0 HG22 THR A 58 2.134 -4.011 14.279 1.00 0.39 H new ATOM 0 HG23 THR A 58 0.791 -3.505 13.227 1.00 0.39 H new ATOM 906 N THR A 59 1.487 -2.491 10.466 1.00 0.25 N ATOM 907 CA THR A 59 0.758 -1.271 10.172 1.00 0.27 C ATOM 908 C THR A 59 -0.676 -1.598 9.789 1.00 0.24 C ATOM 909 O THR A 59 -0.916 -2.440 8.927 1.00 0.36 O ATOM 910 CB THR A 59 1.423 -0.479 9.023 1.00 0.32 C ATOM 911 OG1 THR A 59 2.849 -0.469 9.184 1.00 0.49 O ATOM 912 CG2 THR A 59 0.918 0.955 8.985 1.00 0.48 C ATOM 0 H THR A 59 1.287 -3.265 9.833 1.00 0.25 H new ATOM 0 HA THR A 59 0.770 -0.655 11.071 1.00 0.27 H new ATOM 0 HB THR A 59 1.162 -0.972 8.087 1.00 0.32 H new ATOM 0 HG1 THR A 59 3.278 -0.582 8.310 1.00 0.49 H new ATOM 0 HG21 THR A 59 1.402 1.490 8.168 1.00 0.48 H new ATOM 0 HG22 THR A 59 -0.161 0.957 8.831 1.00 0.48 H new ATOM 0 HG23 THR A 59 1.151 1.448 9.929 1.00 0.48 H new ATOM 920 N THR A 60 -1.631 -0.940 10.429 1.00 0.26 N ATOM 921 CA THR A 60 -3.036 -1.189 10.141 1.00 0.23 C ATOM 922 C THR A 60 -3.812 0.115 9.976 1.00 0.22 C ATOM 923 O THR A 60 -3.884 0.928 10.901 1.00 0.26 O ATOM 924 CB THR A 60 -3.684 -2.022 11.260 1.00 0.25 C ATOM 925 OG1 THR A 60 -2.759 -3.011 11.728 1.00 0.31 O ATOM 926 CG2 THR A 60 -4.953 -2.701 10.768 1.00 0.24 C ATOM 0 H THR A 60 -1.461 -0.235 11.146 1.00 0.26 H new ATOM 0 HA THR A 60 -3.077 -1.744 9.204 1.00 0.23 H new ATOM 0 HB THR A 60 -3.946 -1.350 12.077 1.00 0.25 H new ATOM 0 HG1 THR A 60 -3.176 -3.537 12.442 1.00 0.31 H new ATOM 0 HG21 THR A 60 -5.392 -3.284 11.578 1.00 0.24 H new ATOM 0 HG22 THR A 60 -5.665 -1.945 10.438 1.00 0.24 H new ATOM 0 HG23 THR A 60 -4.713 -3.362 9.935 1.00 0.24 H new ATOM 934 N ASN A 61 -4.386 0.320 8.798 1.00 0.25 N ATOM 935 CA ASN A 61 -5.160 1.527 8.532 1.00 0.26 C ATOM 936 C ASN A 61 -6.573 1.178 8.116 1.00 0.29 C ATOM 937 O ASN A 61 -6.813 0.163 7.469 1.00 0.51 O ATOM 938 CB ASN A 61 -4.505 2.380 7.441 1.00 0.36 C ATOM 939 CG ASN A 61 -3.183 3.006 7.860 1.00 0.87 C ATOM 940 OD1 ASN A 61 -2.349 3.318 7.015 1.00 1.43 O ATOM 941 ND2 ASN A 61 -2.980 3.203 9.158 1.00 1.72 N ATOM 0 H ASN A 61 -4.331 -0.330 8.014 1.00 0.25 H new ATOM 0 HA ASN A 61 -5.189 2.103 9.457 1.00 0.26 H new ATOM 0 HB2 ASN A 61 -4.340 1.761 6.559 1.00 0.36 H new ATOM 0 HB3 ASN A 61 -5.195 3.172 7.149 1.00 0.36 H new ATOM 0 HD21 ASN A 61 -2.109 3.626 9.480 1.00 1.72 H new ATOM 0 HD22 ASN A 61 -3.695 2.932 9.833 1.00 1.72 H new ATOM 948 N SER A 62 -7.504 2.021 8.504 1.00 0.21 N ATOM 949 CA SER A 62 -8.896 1.829 8.175 1.00 0.25 C ATOM 950 C SER A 62 -9.427 3.082 7.503 1.00 0.23 C ATOM 951 O SER A 62 -9.391 4.170 8.086 1.00 0.29 O ATOM 952 CB SER A 62 -9.674 1.517 9.446 1.00 0.34 C ATOM 953 OG SER A 62 -9.385 2.468 10.462 1.00 1.04 O ATOM 0 H SER A 62 -7.316 2.858 9.056 1.00 0.21 H new ATOM 0 HA SER A 62 -9.011 0.992 7.486 1.00 0.25 H new ATOM 0 HB2 SER A 62 -10.743 1.519 9.233 1.00 0.34 H new ATOM 0 HB3 SER A 62 -9.421 0.516 9.796 1.00 0.34 H new ATOM 0 HG SER A 62 -9.266 3.353 10.058 1.00 1.04 H new ATOM 959 N PHE A 63 -9.916 2.941 6.289 1.00 0.18 N ATOM 960 CA PHE A 63 -10.410 4.089 5.554 1.00 0.17 C ATOM 961 C PHE A 63 -11.798 3.844 5.000 1.00 0.18 C ATOM 962 O PHE A 63 -12.125 2.741 4.569 1.00 0.24 O ATOM 963 CB PHE A 63 -9.460 4.450 4.408 1.00 0.17 C ATOM 964 CG PHE A 63 -9.290 3.350 3.399 1.00 0.18 C ATOM 965 CD1 PHE A 63 -10.155 3.246 2.322 1.00 0.88 C ATOM 966 CD2 PHE A 63 -8.273 2.423 3.528 1.00 0.86 C ATOM 967 CE1 PHE A 63 -10.007 2.237 1.395 1.00 0.88 C ATOM 968 CE2 PHE A 63 -8.121 1.414 2.604 1.00 0.88 C ATOM 969 CZ PHE A 63 -8.990 1.321 1.535 1.00 0.23 C ATOM 0 H PHE A 63 -9.982 2.052 5.793 1.00 0.18 H new ATOM 0 HA PHE A 63 -10.461 4.920 6.257 1.00 0.17 H new ATOM 0 HB2 PHE A 63 -9.835 5.340 3.903 1.00 0.17 H new ATOM 0 HB3 PHE A 63 -8.485 4.706 4.822 1.00 0.17 H new ATOM 0 HD1 PHE A 63 -10.954 3.963 2.208 1.00 0.88 H new ATOM 0 HD2 PHE A 63 -7.591 2.491 4.362 1.00 0.86 H new ATOM 0 HE1 PHE A 63 -10.688 2.165 0.560 1.00 0.88 H new ATOM 0 HE2 PHE A 63 -7.322 0.695 2.715 1.00 0.88 H new ATOM 0 HZ PHE A 63 -8.871 0.530 0.809 1.00 0.23 H new ATOM 979 N THR A 64 -12.605 4.884 5.020 1.00 0.17 N ATOM 980 CA THR A 64 -13.948 4.814 4.492 1.00 0.19 C ATOM 981 C THR A 64 -14.012 5.609 3.196 1.00 0.18 C ATOM 982 O THR A 64 -13.570 6.755 3.150 1.00 0.19 O ATOM 983 CB THR A 64 -14.978 5.363 5.504 1.00 0.21 C ATOM 984 OG1 THR A 64 -14.981 4.557 6.688 1.00 0.25 O ATOM 985 CG2 THR A 64 -16.380 5.407 4.908 1.00 0.22 C ATOM 0 H THR A 64 -12.349 5.795 5.400 1.00 0.17 H new ATOM 0 HA THR A 64 -14.197 3.770 4.302 1.00 0.19 H new ATOM 0 HB THR A 64 -14.685 6.382 5.756 1.00 0.21 H new ATOM 0 HG1 THR A 64 -14.217 3.944 6.668 1.00 0.25 H new ATOM 0 HG21 THR A 64 -17.078 5.798 5.648 1.00 0.22 H new ATOM 0 HG22 THR A 64 -16.382 6.053 4.030 1.00 0.22 H new ATOM 0 HG23 THR A 64 -16.684 4.401 4.619 1.00 0.22 H new ATOM 993 N ILE A 65 -14.502 4.982 2.138 1.00 0.18 N ATOM 994 CA ILE A 65 -14.626 5.648 0.851 1.00 0.18 C ATOM 995 C ILE A 65 -15.436 6.938 0.978 1.00 0.21 C ATOM 996 O ILE A 65 -16.547 6.932 1.510 1.00 0.24 O ATOM 997 CB ILE A 65 -15.294 4.731 -0.184 1.00 0.20 C ATOM 998 CG1 ILE A 65 -14.557 3.394 -0.262 1.00 0.21 C ATOM 999 CG2 ILE A 65 -15.321 5.410 -1.543 1.00 0.22 C ATOM 1000 CD1 ILE A 65 -13.118 3.511 -0.718 1.00 0.19 C ATOM 0 H ILE A 65 -14.820 4.013 2.145 1.00 0.18 H new ATOM 0 HA ILE A 65 -13.618 5.890 0.514 1.00 0.18 H new ATOM 0 HB ILE A 65 -16.321 4.538 0.126 1.00 0.20 H new ATOM 0 HG12 ILE A 65 -14.579 2.921 0.720 1.00 0.21 H new ATOM 0 HG13 ILE A 65 -15.092 2.735 -0.946 1.00 0.21 H new ATOM 0 HG21 ILE A 65 -15.797 4.751 -2.270 1.00 0.22 H new ATOM 0 HG22 ILE A 65 -15.884 6.341 -1.474 1.00 0.22 H new ATOM 0 HG23 ILE A 65 -14.301 5.626 -1.862 1.00 0.22 H new ATOM 0 HD11 ILE A 65 -12.664 2.520 -0.747 1.00 0.19 H new ATOM 0 HD12 ILE A 65 -13.087 3.954 -1.713 1.00 0.19 H new ATOM 0 HD13 ILE A 65 -12.566 4.143 -0.022 1.00 0.19 H new ATOM 1012 N ASP A 66 -14.840 8.032 0.497 1.00 0.20 N ATOM 1013 CA ASP A 66 -15.443 9.366 0.519 1.00 0.23 C ATOM 1014 C ASP A 66 -15.397 9.953 1.926 1.00 0.23 C ATOM 1015 O ASP A 66 -16.165 10.850 2.271 1.00 0.26 O ATOM 1016 CB ASP A 66 -16.876 9.336 -0.018 1.00 0.27 C ATOM 1017 CG ASP A 66 -17.299 10.667 -0.600 1.00 0.35 C ATOM 1018 OD1 ASP A 66 -16.504 11.270 -1.353 1.00 1.04 O ATOM 1019 OD2 ASP A 66 -18.433 11.105 -0.329 1.00 1.10 O ATOM 0 H ASP A 66 -13.911 8.015 0.075 1.00 0.20 H new ATOM 0 HA ASP A 66 -14.859 10.011 -0.138 1.00 0.23 H new ATOM 0 HB2 ASP A 66 -16.959 8.564 -0.784 1.00 0.27 H new ATOM 0 HB3 ASP A 66 -17.558 9.061 0.787 1.00 0.27 H new ATOM 1024 N LYS A 67 -14.472 9.444 2.727 1.00 0.21 N ATOM 1025 CA LYS A 67 -14.296 9.888 4.100 1.00 0.22 C ATOM 1026 C LYS A 67 -12.811 10.060 4.426 1.00 0.21 C ATOM 1027 O LYS A 67 -11.969 9.312 3.927 1.00 0.23 O ATOM 1028 CB LYS A 67 -14.924 8.861 5.038 1.00 0.23 C ATOM 1029 CG LYS A 67 -14.496 8.988 6.489 1.00 0.25 C ATOM 1030 CD LYS A 67 -15.131 10.186 7.171 1.00 0.35 C ATOM 1031 CE LYS A 67 -14.530 10.410 8.549 1.00 1.15 C ATOM 1032 NZ LYS A 67 -15.290 11.419 9.331 1.00 1.59 N ATOM 0 H LYS A 67 -13.822 8.711 2.442 1.00 0.21 H new ATOM 0 HA LYS A 67 -14.784 10.854 4.230 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -16.009 8.953 4.983 1.00 0.23 H new ATOM 0 HB3 LYS A 67 -14.671 7.862 4.684 1.00 0.23 H new ATOM 0 HG2 LYS A 67 -14.767 8.080 7.027 1.00 0.25 H new ATOM 0 HG3 LYS A 67 -13.411 9.076 6.540 1.00 0.25 H new ATOM 0 HD2 LYS A 67 -14.987 11.076 6.559 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -16.206 10.031 7.260 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -14.513 9.467 9.095 1.00 1.15 H new ATOM 0 HE3 LYS A 67 -13.495 10.737 8.444 1.00 1.15 H new ATOM 0 HZ1 LYS A 67 -14.847 11.541 10.264 1.00 1.59 H new ATOM 0 HZ2 LYS A 67 -15.285 12.327 8.824 1.00 1.59 H new ATOM 0 HZ3 LYS A 67 -16.271 11.096 9.454 1.00 1.59 H new ATOM 1046 N GLU A 68 -12.495 11.064 5.237 1.00 0.24 N ATOM 1047 CA GLU A 68 -11.121 11.305 5.655 1.00 0.26 C ATOM 1048 C GLU A 68 -10.717 10.229 6.656 1.00 0.23 C ATOM 1049 O GLU A 68 -11.393 10.026 7.663 1.00 0.34 O ATOM 1050 CB GLU A 68 -10.991 12.694 6.280 1.00 0.34 C ATOM 1051 CG GLU A 68 -9.557 13.122 6.523 1.00 1.35 C ATOM 1052 CD GLU A 68 -9.449 14.574 6.932 1.00 1.92 C ATOM 1053 OE1 GLU A 68 -9.342 15.440 6.041 1.00 2.55 O ATOM 1054 OE2 GLU A 68 -9.459 14.856 8.148 1.00 2.51 O ATOM 0 H GLU A 68 -13.173 11.724 5.618 1.00 0.24 H new ATOM 0 HA GLU A 68 -10.461 11.264 4.789 1.00 0.26 H new ATOM 0 HB2 GLU A 68 -11.473 13.423 5.628 1.00 0.34 H new ATOM 0 HB3 GLU A 68 -11.530 12.708 7.227 1.00 0.34 H new ATOM 0 HG2 GLU A 68 -9.121 12.495 7.301 1.00 1.35 H new ATOM 0 HG3 GLU A 68 -8.974 12.958 5.617 1.00 1.35 H new ATOM 1061 N ALA A 69 -9.621 9.544 6.378 1.00 0.20 N ATOM 1062 CA ALA A 69 -9.168 8.462 7.236 1.00 0.18 C ATOM 1063 C ALA A 69 -7.792 8.727 7.821 1.00 0.21 C ATOM 1064 O ALA A 69 -7.048 9.587 7.341 1.00 0.31 O ATOM 1065 CB ALA A 69 -9.141 7.156 6.456 1.00 0.18 C ATOM 0 H ALA A 69 -9.029 9.717 5.566 1.00 0.20 H new ATOM 0 HA ALA A 69 -9.874 8.392 8.064 1.00 0.18 H new ATOM 0 HB1 ALA A 69 -8.800 6.351 7.107 1.00 0.18 H new ATOM 0 HB2 ALA A 69 -10.143 6.929 6.092 1.00 0.18 H new ATOM 0 HB3 ALA A 69 -8.460 7.251 5.610 1.00 0.18 H new ATOM 1071 N ASP A 70 -7.470 7.967 8.856 1.00 0.20 N ATOM 1072 CA ASP A 70 -6.182 8.059 9.525 1.00 0.24 C ATOM 1073 C ASP A 70 -5.266 6.991 8.958 1.00 0.22 C ATOM 1074 O ASP A 70 -5.596 5.801 8.999 1.00 0.25 O ATOM 1075 CB ASP A 70 -6.335 7.846 11.030 1.00 0.31 C ATOM 1076 CG ASP A 70 -5.685 8.943 11.843 1.00 1.14 C ATOM 1077 OD1 ASP A 70 -6.344 9.976 12.090 1.00 1.95 O ATOM 1078 OD2 ASP A 70 -4.517 8.782 12.251 1.00 1.87 O ATOM 0 H ASP A 70 -8.096 7.268 9.256 1.00 0.20 H new ATOM 0 HA ASP A 70 -5.764 9.052 9.359 1.00 0.24 H new ATOM 0 HB2 ASP A 70 -7.395 7.794 11.280 1.00 0.31 H new ATOM 0 HB3 ASP A 70 -5.895 6.887 11.304 1.00 0.31 H new ATOM 1083 N MET A 71 -4.133 7.399 8.423 1.00 0.20 N ATOM 1084 CA MET A 71 -3.211 6.452 7.825 1.00 0.20 C ATOM 1085 C MET A 71 -1.812 6.566 8.391 1.00 0.22 C ATOM 1086 O MET A 71 -1.470 7.534 9.075 1.00 0.26 O ATOM 1087 CB MET A 71 -3.148 6.674 6.326 1.00 0.22 C ATOM 1088 CG MET A 71 -4.508 6.709 5.685 1.00 0.19 C ATOM 1089 SD MET A 71 -4.560 7.754 4.231 1.00 0.20 S ATOM 1090 CE MET A 71 -6.324 7.803 3.994 1.00 0.20 C ATOM 0 H MET A 71 -3.829 8.372 8.389 1.00 0.20 H new ATOM 0 HA MET A 71 -3.587 5.455 8.055 1.00 0.20 H new ATOM 0 HB2 MET A 71 -2.632 7.612 6.124 1.00 0.22 H new ATOM 0 HB3 MET A 71 -2.557 5.880 5.870 1.00 0.22 H new ATOM 0 HG2 MET A 71 -4.802 5.696 5.410 1.00 0.19 H new ATOM 0 HG3 MET A 71 -5.238 7.067 6.411 1.00 0.19 H new ATOM 0 HE1 MET A 71 -6.547 8.196 3.002 1.00 0.20 H new ATOM 0 HE2 MET A 71 -6.732 6.796 4.086 1.00 0.20 H new ATOM 0 HE3 MET A 71 -6.775 8.447 4.749 1.00 0.20 H new ATOM 1100 N GLU A 72 -1.012 5.568 8.074 1.00 0.24 N ATOM 1101 CA GLU A 72 0.369 5.506 8.494 1.00 0.25 C ATOM 1102 C GLU A 72 1.130 4.613 7.533 1.00 0.26 C ATOM 1103 O GLU A 72 0.597 3.608 7.062 1.00 0.29 O ATOM 1104 CB GLU A 72 0.483 4.963 9.923 1.00 0.28 C ATOM 1105 CG GLU A 72 1.889 4.516 10.302 1.00 0.30 C ATOM 1106 CD GLU A 72 1.974 3.983 11.716 1.00 0.67 C ATOM 1107 OE1 GLU A 72 0.915 3.755 12.330 1.00 1.32 O ATOM 1108 OE2 GLU A 72 3.098 3.797 12.218 1.00 1.47 O ATOM 0 H GLU A 72 -1.308 4.770 7.512 1.00 0.24 H new ATOM 0 HA GLU A 72 0.793 6.510 8.485 1.00 0.25 H new ATOM 0 HB2 GLU A 72 0.157 5.734 10.621 1.00 0.28 H new ATOM 0 HB3 GLU A 72 -0.199 4.120 10.037 1.00 0.28 H new ATOM 0 HG2 GLU A 72 2.220 3.744 9.607 1.00 0.30 H new ATOM 0 HG3 GLU A 72 2.574 5.357 10.194 1.00 0.30 H new ATOM 1115 N THR A 73 2.347 4.987 7.211 1.00 0.26 N ATOM 1116 CA THR A 73 3.150 4.183 6.319 1.00 0.28 C ATOM 1117 C THR A 73 3.902 3.136 7.123 1.00 0.30 C ATOM 1118 O THR A 73 3.750 3.038 8.343 1.00 0.36 O ATOM 1119 CB THR A 73 4.161 5.030 5.527 1.00 0.28 C ATOM 1120 OG1 THR A 73 5.215 5.469 6.389 1.00 0.28 O ATOM 1121 CG2 THR A 73 3.495 6.240 4.890 1.00 0.32 C ATOM 0 H THR A 73 2.800 5.836 7.550 1.00 0.26 H new ATOM 0 HA THR A 73 2.476 3.710 5.605 1.00 0.28 H new ATOM 0 HB THR A 73 4.568 4.403 4.734 1.00 0.28 H new ATOM 0 HG1 THR A 73 4.876 6.160 6.995 1.00 0.28 H new ATOM 0 HG21 THR A 73 4.238 6.816 4.338 1.00 0.32 H new ATOM 0 HG22 THR A 73 2.713 5.908 4.207 1.00 0.32 H new ATOM 0 HG23 THR A 73 3.056 6.865 5.668 1.00 0.32 H new ATOM 1129 N MET A 74 4.733 2.366 6.448 1.00 0.32 N ATOM 1130 CA MET A 74 5.514 1.349 7.109 1.00 0.34 C ATOM 1131 C MET A 74 6.763 1.988 7.697 1.00 0.31 C ATOM 1132 O MET A 74 7.557 1.323 8.365 1.00 0.37 O ATOM 1133 CB MET A 74 5.887 0.243 6.124 1.00 0.42 C ATOM 1134 CG MET A 74 4.693 -0.367 5.409 1.00 0.76 C ATOM 1135 SD MET A 74 5.140 -1.117 3.831 1.00 0.93 S ATOM 1136 CE MET A 74 5.072 -2.858 4.238 1.00 1.05 C ATOM 0 H MET A 74 4.882 2.429 5.441 1.00 0.32 H new ATOM 0 HA MET A 74 4.928 0.900 7.911 1.00 0.34 H new ATOM 0 HB2 MET A 74 6.576 0.647 5.382 1.00 0.42 H new ATOM 0 HB3 MET A 74 6.419 -0.543 6.659 1.00 0.42 H new ATOM 0 HG2 MET A 74 4.237 -1.122 6.050 1.00 0.76 H new ATOM 0 HG3 MET A 74 3.942 0.405 5.241 1.00 0.76 H new ATOM 0 HE1 MET A 74 5.428 -3.444 3.391 1.00 1.05 H new ATOM 0 HE2 MET A 74 5.703 -3.054 5.105 1.00 1.05 H new ATOM 0 HE3 MET A 74 4.044 -3.138 4.467 1.00 1.05 H new ATOM 1146 N GLY A 75 6.930 3.286 7.429 1.00 0.28 N ATOM 1147 CA GLY A 75 8.058 4.024 7.942 1.00 0.31 C ATOM 1148 C GLY A 75 7.722 4.695 9.258 1.00 0.35 C ATOM 1149 O GLY A 75 8.593 5.254 9.923 1.00 0.48 O ATOM 0 H GLY A 75 6.290 3.837 6.857 1.00 0.28 H new ATOM 0 HA2 GLY A 75 8.904 3.351 8.080 1.00 0.31 H new ATOM 0 HA3 GLY A 75 8.365 4.776 7.215 1.00 0.31 H new ATOM 1153 N GLY A 76 6.446 4.623 9.637 1.00 0.34 N ATOM 1154 CA GLY A 76 5.997 5.217 10.881 1.00 0.39 C ATOM 1155 C GLY A 76 5.507 6.640 10.710 1.00 0.38 C ATOM 1156 O GLY A 76 5.592 7.443 11.637 1.00 0.48 O ATOM 0 H GLY A 76 5.714 4.160 9.099 1.00 0.34 H new ATOM 0 HA2 GLY A 76 5.195 4.609 11.299 1.00 0.39 H new ATOM 0 HA3 GLY A 76 6.815 5.204 11.601 1.00 0.39 H new ATOM 1160 N ARG A 77 4.989 6.953 9.530 1.00 0.38 N ATOM 1161 CA ARG A 77 4.487 8.293 9.248 1.00 0.38 C ATOM 1162 C ARG A 77 2.999 8.379 9.523 1.00 0.37 C ATOM 1163 O ARG A 77 2.220 7.626 8.952 1.00 0.36 O ATOM 1164 CB ARG A 77 4.745 8.667 7.793 1.00 0.37 C ATOM 1165 CG ARG A 77 6.154 8.413 7.349 1.00 0.39 C ATOM 1166 CD ARG A 77 6.233 8.370 5.845 1.00 0.43 C ATOM 1167 NE ARG A 77 6.270 9.692 5.235 1.00 0.52 N ATOM 1168 CZ ARG A 77 6.592 9.890 3.960 1.00 0.67 C ATOM 1169 NH1 ARG A 77 7.081 8.886 3.244 1.00 0.80 N ATOM 1170 NH2 ARG A 77 6.490 11.100 3.423 1.00 0.85 N ATOM 0 H ARG A 77 4.905 6.298 8.752 1.00 0.38 H new ATOM 0 HA ARG A 77 5.015 8.988 9.901 1.00 0.38 H new ATOM 0 HB2 ARG A 77 4.065 8.103 7.155 1.00 0.37 H new ATOM 0 HB3 ARG A 77 4.513 9.723 7.651 1.00 0.37 H new ATOM 0 HG2 ARG A 77 6.809 9.196 7.731 1.00 0.39 H new ATOM 0 HG3 ARG A 77 6.508 7.470 7.765 1.00 0.39 H new ATOM 0 HD2 ARG A 77 7.124 7.816 5.550 1.00 0.43 H new ATOM 0 HD3 ARG A 77 5.374 7.822 5.458 1.00 0.43 H new ATOM 0 HE ARG A 77 6.039 10.501 5.811 1.00 0.52 H new ATOM 0 HH11 ARG A 77 7.208 7.969 3.672 1.00 0.80 H new ATOM 0 HH12 ARG A 77 7.330 9.031 2.266 1.00 0.80 H new ATOM 0 HH21 ARG A 77 6.163 11.883 3.989 1.00 0.85 H new ATOM 0 HH22 ARG A 77 6.738 11.246 2.445 1.00 0.85 H new ATOM 1184 N LYS A 78 2.610 9.299 10.389 1.00 0.42 N ATOM 1185 CA LYS A 78 1.207 9.480 10.736 1.00 0.43 C ATOM 1186 C LYS A 78 0.609 10.637 9.947 1.00 0.39 C ATOM 1187 O LYS A 78 1.116 11.761 9.992 1.00 0.44 O ATOM 1188 CB LYS A 78 1.044 9.734 12.236 1.00 0.57 C ATOM 1189 CG LYS A 78 1.873 8.808 13.119 1.00 0.75 C ATOM 1190 CD LYS A 78 1.477 7.346 12.952 1.00 1.12 C ATOM 1191 CE LYS A 78 0.010 7.121 13.276 1.00 1.69 C ATOM 1192 NZ LYS A 78 -0.274 5.705 13.620 1.00 1.76 N ATOM 0 H LYS A 78 3.247 9.936 10.868 1.00 0.42 H new ATOM 0 HA LYS A 78 0.676 8.563 10.480 1.00 0.43 H new ATOM 0 HB2 LYS A 78 1.320 10.766 12.451 1.00 0.57 H new ATOM 0 HB3 LYS A 78 -0.008 9.624 12.500 1.00 0.57 H new ATOM 0 HG2 LYS A 78 2.929 8.927 12.876 1.00 0.75 H new ATOM 0 HG3 LYS A 78 1.751 9.099 14.162 1.00 0.75 H new ATOM 0 HD2 LYS A 78 1.676 7.030 11.928 1.00 1.12 H new ATOM 0 HD3 LYS A 78 2.093 6.725 13.603 1.00 1.12 H new ATOM 0 HE2 LYS A 78 -0.279 7.761 14.109 1.00 1.69 H new ATOM 0 HE3 LYS A 78 -0.599 7.415 12.421 1.00 1.69 H new ATOM 0 HZ1 LYS A 78 -1.283 5.599 13.850 1.00 1.76 H new ATOM 0 HZ2 LYS A 78 -0.038 5.097 12.810 1.00 1.76 H new ATOM 0 HZ3 LYS A 78 0.300 5.425 14.441 1.00 1.76 H new ATOM 1206 N PHE A 79 -0.467 10.357 9.226 1.00 0.33 N ATOM 1207 CA PHE A 79 -1.127 11.376 8.417 1.00 0.31 C ATOM 1208 C PHE A 79 -2.593 11.033 8.187 1.00 0.28 C ATOM 1209 O PHE A 79 -3.060 9.954 8.557 1.00 0.29 O ATOM 1210 CB PHE A 79 -0.406 11.524 7.073 1.00 0.31 C ATOM 1211 CG PHE A 79 -0.286 10.235 6.313 1.00 0.28 C ATOM 1212 CD1 PHE A 79 0.763 9.378 6.569 1.00 1.07 C ATOM 1213 CD2 PHE A 79 -1.222 9.876 5.355 1.00 1.17 C ATOM 1214 CE1 PHE A 79 0.885 8.188 5.891 1.00 1.09 C ATOM 1215 CE2 PHE A 79 -1.108 8.684 4.671 1.00 1.16 C ATOM 1216 CZ PHE A 79 -0.052 7.836 4.940 1.00 0.26 C ATOM 0 H PHE A 79 -0.902 9.435 9.183 1.00 0.33 H new ATOM 0 HA PHE A 79 -1.082 12.321 8.958 1.00 0.31 H new ATOM 0 HB2 PHE A 79 -0.941 12.249 6.460 1.00 0.31 H new ATOM 0 HB3 PHE A 79 0.591 11.928 7.247 1.00 0.31 H new ATOM 0 HD1 PHE A 79 1.499 9.645 7.313 1.00 1.07 H new ATOM 0 HD2 PHE A 79 -2.049 10.537 5.142 1.00 1.17 H new ATOM 0 HE1 PHE A 79 1.714 7.529 6.102 1.00 1.09 H new ATOM 0 HE2 PHE A 79 -1.843 8.414 3.927 1.00 1.16 H new ATOM 0 HZ PHE A 79 0.041 6.901 4.408 1.00 0.26 H new ATOM 1226 N LYS A 80 -3.316 11.961 7.580 1.00 0.29 N ATOM 1227 CA LYS A 80 -4.725 11.764 7.279 1.00 0.33 C ATOM 1228 C LYS A 80 -4.984 12.124 5.823 1.00 0.27 C ATOM 1229 O LYS A 80 -4.375 13.056 5.294 1.00 0.28 O ATOM 1230 CB LYS A 80 -5.614 12.611 8.196 1.00 0.44 C ATOM 1231 CG LYS A 80 -5.597 12.189 9.661 1.00 0.65 C ATOM 1232 CD LYS A 80 -4.521 12.919 10.451 1.00 0.81 C ATOM 1233 CE LYS A 80 -4.836 12.941 11.939 1.00 1.64 C ATOM 1234 NZ LYS A 80 -4.385 11.701 12.620 1.00 2.55 N ATOM 0 H LYS A 80 -2.947 12.865 7.284 1.00 0.29 H new ATOM 0 HA LYS A 80 -4.973 10.716 7.450 1.00 0.33 H new ATOM 0 HB2 LYS A 80 -5.297 13.652 8.127 1.00 0.44 H new ATOM 0 HB3 LYS A 80 -6.640 12.565 7.830 1.00 0.44 H new ATOM 0 HG2 LYS A 80 -6.572 12.387 10.107 1.00 0.65 H new ATOM 0 HG3 LYS A 80 -5.429 11.114 9.727 1.00 0.65 H new ATOM 0 HD2 LYS A 80 -3.558 12.434 10.290 1.00 0.81 H new ATOM 0 HD3 LYS A 80 -4.429 13.941 10.083 1.00 0.81 H new ATOM 0 HE2 LYS A 80 -4.354 13.804 12.399 1.00 1.64 H new ATOM 0 HE3 LYS A 80 -5.910 13.063 12.081 1.00 1.64 H new ATOM 0 HZ1 LYS A 80 -5.204 11.085 12.797 1.00 2.55 H new ATOM 0 HZ2 LYS A 80 -3.701 11.202 12.016 1.00 2.55 H new ATOM 0 HZ3 LYS A 80 -3.934 11.946 13.524 1.00 2.55 H new ATOM 1248 N ALA A 81 -5.875 11.387 5.180 1.00 0.24 N ATOM 1249 CA ALA A 81 -6.195 11.628 3.781 1.00 0.20 C ATOM 1250 C ALA A 81 -7.590 11.116 3.452 1.00 0.19 C ATOM 1251 O ALA A 81 -8.158 10.317 4.197 1.00 0.19 O ATOM 1252 CB ALA A 81 -5.156 10.965 2.883 1.00 0.21 C ATOM 0 H ALA A 81 -6.390 10.616 5.604 1.00 0.24 H new ATOM 0 HA ALA A 81 -6.177 12.703 3.602 1.00 0.20 H new ATOM 0 HB1 ALA A 81 -5.405 11.152 1.839 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -4.171 11.378 3.100 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -5.148 9.891 3.068 1.00 0.21 H new ATOM 1258 N THR A 82 -8.144 11.585 2.347 1.00 0.19 N ATOM 1259 CA THR A 82 -9.465 11.164 1.916 1.00 0.19 C ATOM 1260 C THR A 82 -9.344 10.167 0.765 1.00 0.20 C ATOM 1261 O THR A 82 -8.633 10.414 -0.211 1.00 0.28 O ATOM 1262 CB THR A 82 -10.308 12.377 1.477 1.00 0.23 C ATOM 1263 OG1 THR A 82 -9.938 13.528 2.251 1.00 0.33 O ATOM 1264 CG2 THR A 82 -11.798 12.103 1.651 1.00 0.25 C ATOM 0 H THR A 82 -7.696 12.262 1.729 1.00 0.19 H new ATOM 0 HA THR A 82 -9.966 10.683 2.756 1.00 0.19 H new ATOM 0 HB THR A 82 -10.114 12.563 0.421 1.00 0.23 H new ATOM 0 HG1 THR A 82 -10.474 14.298 1.969 1.00 0.33 H new ATOM 0 HG21 THR A 82 -12.368 12.976 1.333 1.00 0.25 H new ATOM 0 HG22 THR A 82 -12.083 11.243 1.045 1.00 0.25 H new ATOM 0 HG23 THR A 82 -12.009 11.893 2.700 1.00 0.25 H new ATOM 1272 N VAL A 83 -10.031 9.038 0.884 1.00 0.15 N ATOM 1273 CA VAL A 83 -9.978 8.005 -0.138 1.00 0.15 C ATOM 1274 C VAL A 83 -11.322 7.874 -0.837 1.00 0.16 C ATOM 1275 O VAL A 83 -12.358 8.041 -0.211 1.00 0.19 O ATOM 1276 CB VAL A 83 -9.591 6.647 0.479 1.00 0.15 C ATOM 1277 CG1 VAL A 83 -9.442 5.587 -0.591 1.00 0.15 C ATOM 1278 CG2 VAL A 83 -8.309 6.765 1.288 1.00 0.19 C ATOM 0 H VAL A 83 -10.631 8.816 1.679 1.00 0.15 H new ATOM 0 HA VAL A 83 -9.221 8.296 -0.866 1.00 0.15 H new ATOM 0 HB VAL A 83 -10.396 6.346 1.150 1.00 0.15 H new ATOM 0 HG11 VAL A 83 -9.169 4.639 -0.128 1.00 0.15 H new ATOM 0 HG12 VAL A 83 -10.386 5.472 -1.123 1.00 0.15 H new ATOM 0 HG13 VAL A 83 -8.664 5.886 -1.293 1.00 0.15 H new ATOM 0 HG21 VAL A 83 -8.057 5.794 1.713 1.00 0.19 H new ATOM 0 HG22 VAL A 83 -7.499 7.099 0.640 1.00 0.19 H new ATOM 0 HG23 VAL A 83 -8.451 7.487 2.092 1.00 0.19 H new ATOM 1288 N LYS A 84 -11.300 7.584 -2.125 1.00 0.17 N ATOM 1289 CA LYS A 84 -12.522 7.429 -2.898 1.00 0.19 C ATOM 1290 C LYS A 84 -12.436 6.182 -3.773 1.00 0.19 C ATOM 1291 O LYS A 84 -11.436 5.467 -3.747 1.00 0.21 O ATOM 1292 CB LYS A 84 -12.761 8.676 -3.752 1.00 0.21 C ATOM 1293 CG LYS A 84 -11.701 8.896 -4.814 1.00 0.26 C ATOM 1294 CD LYS A 84 -11.835 10.253 -5.477 1.00 0.42 C ATOM 1295 CE LYS A 84 -10.710 10.485 -6.472 1.00 0.49 C ATOM 1296 NZ LYS A 84 -11.210 10.994 -7.779 1.00 1.14 N ATOM 0 H LYS A 84 -10.443 7.450 -2.662 1.00 0.17 H new ATOM 0 HA LYS A 84 -13.364 7.310 -2.216 1.00 0.19 H new ATOM 0 HB2 LYS A 84 -13.735 8.595 -4.234 1.00 0.21 H new ATOM 0 HB3 LYS A 84 -12.799 9.550 -3.102 1.00 0.21 H new ATOM 0 HG2 LYS A 84 -10.712 8.809 -4.363 1.00 0.26 H new ATOM 0 HG3 LYS A 84 -11.777 8.114 -5.570 1.00 0.26 H new ATOM 0 HD2 LYS A 84 -12.796 10.320 -5.987 1.00 0.42 H new ATOM 0 HD3 LYS A 84 -11.822 11.036 -4.718 1.00 0.42 H new ATOM 0 HE2 LYS A 84 -9.999 11.198 -6.054 1.00 0.49 H new ATOM 0 HE3 LYS A 84 -10.169 9.552 -6.630 1.00 0.49 H new ATOM 0 HZ1 LYS A 84 -10.404 11.265 -8.377 1.00 1.14 H new ATOM 0 HZ2 LYS A 84 -11.759 10.250 -8.254 1.00 1.14 H new ATOM 0 HZ3 LYS A 84 -11.817 11.823 -7.619 1.00 1.14 H new ATOM 1310 N MET A 85 -13.478 5.925 -4.546 1.00 0.21 N ATOM 1311 CA MET A 85 -13.506 4.763 -5.415 1.00 0.22 C ATOM 1312 C MET A 85 -13.925 5.155 -6.823 1.00 0.28 C ATOM 1313 O MET A 85 -14.921 5.853 -7.007 1.00 0.41 O ATOM 1314 CB MET A 85 -14.469 3.717 -4.865 1.00 0.23 C ATOM 1315 CG MET A 85 -13.803 2.418 -4.460 1.00 0.21 C ATOM 1316 SD MET A 85 -14.985 1.224 -3.818 1.00 0.26 S ATOM 1317 CE MET A 85 -13.886 0.139 -2.919 1.00 0.25 C ATOM 0 H MET A 85 -14.315 6.506 -4.589 1.00 0.21 H new ATOM 0 HA MET A 85 -12.501 4.342 -5.453 1.00 0.22 H new ATOM 0 HB2 MET A 85 -14.986 4.133 -4.000 1.00 0.23 H new ATOM 0 HB3 MET A 85 -15.228 3.505 -5.618 1.00 0.23 H new ATOM 0 HG2 MET A 85 -13.288 1.991 -5.321 1.00 0.21 H new ATOM 0 HG3 MET A 85 -13.045 2.620 -3.703 1.00 0.21 H new ATOM 0 HE1 MET A 85 -14.463 -0.662 -2.457 1.00 0.25 H new ATOM 0 HE2 MET A 85 -13.156 -0.289 -3.606 1.00 0.25 H new ATOM 0 HE3 MET A 85 -13.368 0.706 -2.145 1.00 0.25 H new ATOM 1327 N GLU A 86 -13.160 4.714 -7.809 1.00 0.26 N ATOM 1328 CA GLU A 86 -13.457 5.020 -9.200 1.00 0.32 C ATOM 1329 C GLU A 86 -13.650 3.740 -10.001 1.00 0.29 C ATOM 1330 O GLU A 86 -12.685 3.156 -10.488 1.00 0.36 O ATOM 1331 CB GLU A 86 -12.330 5.853 -9.816 1.00 0.48 C ATOM 1332 CG GLU A 86 -12.055 7.157 -9.083 1.00 1.22 C ATOM 1333 CD GLU A 86 -13.167 8.173 -9.222 1.00 1.99 C ATOM 1334 OE1 GLU A 86 -14.064 7.982 -10.077 1.00 2.46 O ATOM 1335 OE2 GLU A 86 -13.140 9.180 -8.483 1.00 2.67 O ATOM 0 H GLU A 86 -12.327 4.142 -7.672 1.00 0.26 H new ATOM 0 HA GLU A 86 -14.382 5.596 -9.231 1.00 0.32 H new ATOM 0 HB2 GLU A 86 -11.418 5.257 -9.831 1.00 0.48 H new ATOM 0 HB3 GLU A 86 -12.582 6.077 -10.853 1.00 0.48 H new ATOM 0 HG2 GLU A 86 -11.898 6.944 -8.026 1.00 1.22 H new ATOM 0 HG3 GLU A 86 -11.129 7.589 -9.462 1.00 1.22 H new ATOM 1342 N GLY A 87 -14.895 3.301 -10.111 1.00 0.37 N ATOM 1343 CA GLY A 87 -15.199 2.097 -10.862 1.00 0.46 C ATOM 1344 C GLY A 87 -14.567 0.850 -10.270 1.00 0.38 C ATOM 1345 O GLY A 87 -13.921 0.078 -10.977 1.00 0.36 O ATOM 0 H GLY A 87 -15.705 3.758 -9.692 1.00 0.37 H new ATOM 0 HA2 GLY A 87 -16.280 1.965 -10.903 1.00 0.46 H new ATOM 0 HA3 GLY A 87 -14.854 2.220 -11.889 1.00 0.46 H new ATOM 1349 N GLY A 88 -14.754 0.653 -8.970 1.00 0.36 N ATOM 1350 CA GLY A 88 -14.202 -0.514 -8.307 1.00 0.33 C ATOM 1351 C GLY A 88 -12.717 -0.394 -8.024 1.00 0.27 C ATOM 1352 O GLY A 88 -12.044 -1.395 -7.791 1.00 0.32 O ATOM 0 H GLY A 88 -15.279 1.282 -8.362 1.00 0.36 H new ATOM 0 HA2 GLY A 88 -14.732 -0.675 -7.368 1.00 0.33 H new ATOM 0 HA3 GLY A 88 -14.377 -1.393 -8.927 1.00 0.33 H new ATOM 1356 N LYS A 89 -12.200 0.825 -8.062 1.00 0.22 N ATOM 1357 CA LYS A 89 -10.787 1.065 -7.793 1.00 0.19 C ATOM 1358 C LYS A 89 -10.640 2.049 -6.646 1.00 0.17 C ATOM 1359 O LYS A 89 -11.131 3.175 -6.727 1.00 0.20 O ATOM 1360 CB LYS A 89 -10.078 1.621 -9.033 1.00 0.24 C ATOM 1361 CG LYS A 89 -10.397 0.883 -10.319 1.00 0.28 C ATOM 1362 CD LYS A 89 -9.783 1.582 -11.520 1.00 0.52 C ATOM 1363 CE LYS A 89 -10.177 0.911 -12.828 1.00 1.06 C ATOM 1364 NZ LYS A 89 -9.636 -0.469 -12.937 1.00 1.76 N ATOM 0 H LYS A 89 -12.737 1.665 -8.277 1.00 0.22 H new ATOM 0 HA LYS A 89 -10.327 0.114 -7.525 1.00 0.19 H new ATOM 0 HB2 LYS A 89 -10.350 2.670 -9.153 1.00 0.24 H new ATOM 0 HB3 LYS A 89 -9.001 1.588 -8.867 1.00 0.24 H new ATOM 0 HG2 LYS A 89 -10.021 -0.138 -10.258 1.00 0.28 H new ATOM 0 HG3 LYS A 89 -11.478 0.818 -10.446 1.00 0.28 H new ATOM 0 HD2 LYS A 89 -10.102 2.624 -11.536 1.00 0.52 H new ATOM 0 HD3 LYS A 89 -8.697 1.582 -11.424 1.00 0.52 H new ATOM 0 HE2 LYS A 89 -11.264 0.880 -12.906 1.00 1.06 H new ATOM 0 HE3 LYS A 89 -9.814 1.509 -13.664 1.00 1.06 H new ATOM 0 HZ1 LYS A 89 -9.901 -0.874 -13.858 1.00 1.76 H new ATOM 0 HZ2 LYS A 89 -8.600 -0.443 -12.856 1.00 1.76 H new ATOM 0 HZ3 LYS A 89 -10.029 -1.057 -12.174 1.00 1.76 H new ATOM 1378 N ILE A 90 -9.999 1.621 -5.573 1.00 0.17 N ATOM 1379 CA ILE A 90 -9.793 2.488 -4.424 1.00 0.16 C ATOM 1380 C ILE A 90 -8.642 3.443 -4.700 1.00 0.17 C ATOM 1381 O ILE A 90 -7.481 3.040 -4.730 1.00 0.22 O ATOM 1382 CB ILE A 90 -9.492 1.703 -3.133 1.00 0.17 C ATOM 1383 CG1 ILE A 90 -10.397 0.471 -3.027 1.00 0.19 C ATOM 1384 CG2 ILE A 90 -9.678 2.612 -1.934 1.00 0.18 C ATOM 1385 CD1 ILE A 90 -10.552 -0.059 -1.613 1.00 0.20 C ATOM 0 H ILE A 90 -9.613 0.682 -5.472 1.00 0.17 H new ATOM 0 HA ILE A 90 -10.723 3.036 -4.271 1.00 0.16 H new ATOM 0 HB ILE A 90 -8.459 1.356 -3.158 1.00 0.17 H new ATOM 0 HG12 ILE A 90 -11.382 0.721 -3.421 1.00 0.19 H new ATOM 0 HG13 ILE A 90 -9.993 -0.320 -3.659 1.00 0.19 H new ATOM 0 HG21 ILE A 90 -9.465 2.057 -1.020 1.00 0.18 H new ATOM 0 HG22 ILE A 90 -8.997 3.460 -2.011 1.00 0.18 H new ATOM 0 HG23 ILE A 90 -10.706 2.974 -1.908 1.00 0.18 H new ATOM 0 HD11 ILE A 90 -11.206 -0.931 -1.621 1.00 0.20 H new ATOM 0 HD12 ILE A 90 -9.575 -0.342 -1.221 1.00 0.20 H new ATOM 0 HD13 ILE A 90 -10.986 0.715 -0.980 1.00 0.20 H new ATOM 1397 N VAL A 91 -8.971 4.702 -4.912 1.00 0.15 N ATOM 1398 CA VAL A 91 -7.976 5.710 -5.206 1.00 0.17 C ATOM 1399 C VAL A 91 -7.876 6.727 -4.072 1.00 0.16 C ATOM 1400 O VAL A 91 -8.888 7.201 -3.546 1.00 0.16 O ATOM 1401 CB VAL A 91 -8.298 6.418 -6.540 1.00 0.20 C ATOM 1402 CG1 VAL A 91 -9.748 6.849 -6.583 1.00 0.25 C ATOM 1403 CG2 VAL A 91 -7.384 7.611 -6.776 1.00 0.25 C ATOM 0 H VAL A 91 -9.929 5.052 -4.885 1.00 0.15 H new ATOM 0 HA VAL A 91 -7.011 5.213 -5.302 1.00 0.17 H new ATOM 0 HB VAL A 91 -8.123 5.699 -7.341 1.00 0.20 H new ATOM 0 HG11 VAL A 91 -9.952 7.345 -7.532 1.00 0.25 H new ATOM 0 HG12 VAL A 91 -10.391 5.974 -6.486 1.00 0.25 H new ATOM 0 HG13 VAL A 91 -9.947 7.538 -5.763 1.00 0.25 H new ATOM 0 HG21 VAL A 91 -7.640 8.084 -7.724 1.00 0.25 H new ATOM 0 HG22 VAL A 91 -7.508 8.330 -5.966 1.00 0.25 H new ATOM 0 HG23 VAL A 91 -6.348 7.275 -6.807 1.00 0.25 H new ATOM 1413 N ALA A 92 -6.650 7.050 -3.698 1.00 0.18 N ATOM 1414 CA ALA A 92 -6.395 8.005 -2.633 1.00 0.19 C ATOM 1415 C ALA A 92 -5.642 9.211 -3.190 1.00 0.20 C ATOM 1416 O ALA A 92 -4.824 9.068 -4.104 1.00 0.25 O ATOM 1417 CB ALA A 92 -5.620 7.338 -1.504 1.00 0.22 C ATOM 0 H ALA A 92 -5.808 6.660 -4.121 1.00 0.18 H new ATOM 0 HA ALA A 92 -7.343 8.355 -2.224 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.435 8.063 -0.712 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -6.201 6.506 -1.106 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -4.669 6.967 -1.885 1.00 0.22 H new ATOM 1423 N ASP A 93 -5.924 10.393 -2.652 1.00 0.22 N ATOM 1424 CA ASP A 93 -5.281 11.615 -3.124 1.00 0.26 C ATOM 1425 C ASP A 93 -4.188 12.082 -2.176 1.00 0.22 C ATOM 1426 O ASP A 93 -4.429 12.291 -0.987 1.00 0.23 O ATOM 1427 CB ASP A 93 -6.315 12.719 -3.315 1.00 0.37 C ATOM 1428 CG ASP A 93 -5.692 14.034 -3.742 1.00 0.50 C ATOM 1429 OD1 ASP A 93 -5.421 14.205 -4.948 1.00 1.19 O ATOM 1430 OD2 ASP A 93 -5.488 14.908 -2.878 1.00 0.88 O ATOM 0 H ASP A 93 -6.590 10.531 -1.892 1.00 0.22 H new ATOM 0 HA ASP A 93 -4.814 11.389 -4.083 1.00 0.26 H new ATOM 0 HB2 ASP A 93 -7.042 12.405 -4.064 1.00 0.37 H new ATOM 0 HB3 ASP A 93 -6.861 12.866 -2.383 1.00 0.37 H new ATOM 1435 N PHE A 94 -2.987 12.237 -2.723 1.00 0.22 N ATOM 1436 CA PHE A 94 -1.824 12.681 -1.959 1.00 0.21 C ATOM 1437 C PHE A 94 -0.976 13.641 -2.790 1.00 0.24 C ATOM 1438 O PHE A 94 -1.031 13.620 -4.021 1.00 0.26 O ATOM 1439 CB PHE A 94 -0.971 11.477 -1.542 1.00 0.21 C ATOM 1440 CG PHE A 94 -1.619 10.599 -0.514 1.00 0.20 C ATOM 1441 CD1 PHE A 94 -1.541 10.913 0.832 1.00 1.14 C ATOM 1442 CD2 PHE A 94 -2.314 9.464 -0.898 1.00 1.26 C ATOM 1443 CE1 PHE A 94 -2.143 10.110 1.779 1.00 1.14 C ATOM 1444 CE2 PHE A 94 -2.921 8.660 0.052 1.00 1.27 C ATOM 1445 CZ PHE A 94 -2.834 8.984 1.387 1.00 0.25 C ATOM 0 H PHE A 94 -2.791 12.059 -3.708 1.00 0.22 H new ATOM 0 HA PHE A 94 -2.178 13.198 -1.067 1.00 0.21 H new ATOM 0 HB2 PHE A 94 -0.747 10.880 -2.426 1.00 0.21 H new ATOM 0 HB3 PHE A 94 -0.020 11.837 -1.150 1.00 0.21 H new ATOM 0 HD1 PHE A 94 -1.003 11.796 1.144 1.00 1.14 H new ATOM 0 HD2 PHE A 94 -2.383 9.205 -1.944 1.00 1.26 H new ATOM 0 HE1 PHE A 94 -2.073 10.364 2.826 1.00 1.14 H new ATOM 0 HE2 PHE A 94 -3.463 7.778 -0.255 1.00 1.27 H new ATOM 0 HZ PHE A 94 -3.307 8.356 2.127 1.00 0.25 H new ATOM 1455 N PRO A 95 -0.194 14.508 -2.135 1.00 0.26 N ATOM 1456 CA PRO A 95 0.674 15.461 -2.830 1.00 0.29 C ATOM 1457 C PRO A 95 1.905 14.779 -3.425 1.00 0.26 C ATOM 1458 O PRO A 95 2.730 14.223 -2.693 1.00 0.27 O ATOM 1459 CB PRO A 95 1.082 16.436 -1.725 1.00 0.36 C ATOM 1460 CG PRO A 95 0.978 15.662 -0.459 1.00 0.32 C ATOM 1461 CD PRO A 95 -0.111 14.645 -0.669 1.00 0.28 C ATOM 0 HA PRO A 95 0.174 15.940 -3.672 1.00 0.29 H new ATOM 0 HB2 PRO A 95 2.097 16.803 -1.879 1.00 0.36 H new ATOM 0 HB3 PRO A 95 0.427 17.307 -1.708 1.00 0.36 H new ATOM 0 HG2 PRO A 95 1.924 15.175 -0.223 1.00 0.32 H new ATOM 0 HG3 PRO A 95 0.740 16.318 0.378 1.00 0.32 H new ATOM 0 HD2 PRO A 95 0.133 13.695 -0.193 1.00 0.28 H new ATOM 0 HD3 PRO A 95 -1.058 14.981 -0.245 1.00 0.28 H new ATOM 1469 N ASN A 96 2.000 14.801 -4.758 1.00 0.27 N ATOM 1470 CA ASN A 96 3.127 14.193 -5.490 1.00 0.29 C ATOM 1471 C ASN A 96 3.097 12.669 -5.365 1.00 0.28 C ATOM 1472 O ASN A 96 4.021 11.970 -5.781 1.00 0.37 O ATOM 1473 CB ASN A 96 4.473 14.751 -4.982 1.00 0.35 C ATOM 1474 CG ASN A 96 5.675 14.252 -5.771 1.00 0.77 C ATOM 1475 OD1 ASN A 96 5.608 14.064 -6.988 1.00 1.27 O ATOM 1476 ND2 ASN A 96 6.786 14.029 -5.080 1.00 1.50 N ATOM 0 H ASN A 96 1.304 15.238 -5.362 1.00 0.27 H new ATOM 0 HA ASN A 96 3.024 14.452 -6.544 1.00 0.29 H new ATOM 0 HB2 ASN A 96 4.446 15.840 -5.027 1.00 0.35 H new ATOM 0 HB3 ASN A 96 4.598 14.478 -3.934 1.00 0.35 H new ATOM 0 HD21 ASN A 96 7.623 13.690 -5.555 1.00 1.50 H new ATOM 0 HD22 ASN A 96 6.803 14.196 -4.074 1.00 1.50 H new ATOM 1483 N TYR A 97 2.014 12.157 -4.813 1.00 0.23 N ATOM 1484 CA TYR A 97 1.857 10.725 -4.620 1.00 0.21 C ATOM 1485 C TYR A 97 0.449 10.302 -5.018 1.00 0.21 C ATOM 1486 O TYR A 97 -0.533 10.859 -4.544 1.00 0.24 O ATOM 1487 CB TYR A 97 2.132 10.368 -3.153 1.00 0.22 C ATOM 1488 CG TYR A 97 2.412 8.898 -2.898 1.00 0.23 C ATOM 1489 CD1 TYR A 97 1.478 7.919 -3.212 1.00 1.28 C ATOM 1490 CD2 TYR A 97 3.613 8.492 -2.329 1.00 1.14 C ATOM 1491 CE1 TYR A 97 1.730 6.583 -2.969 1.00 1.31 C ATOM 1492 CE2 TYR A 97 3.873 7.157 -2.080 1.00 1.14 C ATOM 1493 CZ TYR A 97 2.928 6.206 -2.402 1.00 0.32 C ATOM 1494 OH TYR A 97 3.176 4.876 -2.149 1.00 0.38 O ATOM 0 H TYR A 97 1.224 12.714 -4.488 1.00 0.23 H new ATOM 0 HA TYR A 97 2.571 10.193 -5.249 1.00 0.21 H new ATOM 0 HB2 TYR A 97 2.984 10.952 -2.805 1.00 0.22 H new ATOM 0 HB3 TYR A 97 1.273 10.669 -2.553 1.00 0.22 H new ATOM 0 HD1 TYR A 97 0.536 8.208 -3.655 1.00 1.28 H new ATOM 0 HD2 TYR A 97 4.357 9.233 -2.077 1.00 1.14 H new ATOM 0 HE1 TYR A 97 0.991 5.837 -3.222 1.00 1.31 H new ATOM 0 HE2 TYR A 97 4.812 6.861 -1.636 1.00 1.14 H new ATOM 0 HH TYR A 97 4.065 4.779 -1.749 1.00 0.38 H new ATOM 1504 N HIS A 98 0.356 9.337 -5.905 1.00 0.21 N ATOM 1505 CA HIS A 98 -0.930 8.834 -6.345 1.00 0.22 C ATOM 1506 C HIS A 98 -1.006 7.347 -6.038 1.00 0.21 C ATOM 1507 O HIS A 98 -0.144 6.585 -6.468 1.00 0.24 O ATOM 1508 CB HIS A 98 -1.135 9.088 -7.841 1.00 0.25 C ATOM 1509 CG HIS A 98 -2.576 9.082 -8.250 1.00 0.52 C ATOM 1510 ND1 HIS A 98 -3.566 9.698 -7.513 1.00 0.81 N ATOM 1511 CD2 HIS A 98 -3.196 8.544 -9.327 1.00 0.81 C ATOM 1512 CE1 HIS A 98 -4.729 9.528 -8.109 1.00 1.09 C ATOM 1513 NE2 HIS A 98 -4.531 8.834 -9.212 1.00 1.09 N ATOM 0 H HIS A 98 1.159 8.881 -6.339 1.00 0.21 H new ATOM 0 HA HIS A 98 -1.724 9.359 -5.813 1.00 0.22 H new ATOM 0 HB2 HIS A 98 -0.694 10.050 -8.103 1.00 0.25 H new ATOM 0 HB3 HIS A 98 -0.600 8.327 -8.409 1.00 0.25 H new ATOM 0 HD2 HIS A 98 -2.727 7.990 -10.127 1.00 0.81 H new ATOM 0 HE1 HIS A 98 -5.681 9.894 -7.754 1.00 1.09 H new ATOM 0 HE2 HIS A 98 -5.256 8.557 -9.874 1.00 1.09 H new ATOM 1522 N HIS A 99 -2.019 6.943 -5.285 1.00 0.21 N ATOM 1523 CA HIS A 99 -2.169 5.545 -4.914 1.00 0.22 C ATOM 1524 C HIS A 99 -3.525 5.005 -5.346 1.00 0.21 C ATOM 1525 O HIS A 99 -4.570 5.507 -4.928 1.00 0.23 O ATOM 1526 CB HIS A 99 -2.004 5.387 -3.403 1.00 0.26 C ATOM 1527 CG HIS A 99 -1.454 4.056 -2.983 1.00 0.32 C ATOM 1528 ND1 HIS A 99 -0.268 3.958 -2.299 1.00 0.67 N ATOM 1529 CD2 HIS A 99 -1.964 2.814 -3.166 1.00 0.52 C ATOM 1530 CE1 HIS A 99 -0.084 2.666 -2.077 1.00 0.64 C ATOM 1531 NE2 HIS A 99 -1.086 1.936 -2.586 1.00 0.49 N ATOM 0 H HIS A 99 -2.745 7.560 -4.921 1.00 0.21 H new ATOM 0 HA HIS A 99 -1.396 4.972 -5.426 1.00 0.22 H new ATOM 0 HB2 HIS A 99 -1.344 6.173 -3.036 1.00 0.26 H new ATOM 0 HB3 HIS A 99 -2.972 5.535 -2.925 1.00 0.26 H new ATOM 0 HD2 HIS A 99 -2.885 2.564 -3.672 1.00 0.52 H new ATOM 0 HE1 HIS A 99 0.765 2.253 -1.553 1.00 0.64 H new ATOM 0 HE2 HIS A 99 -1.178 0.921 -2.549 1.00 0.49 H new ATOM 1539 N THR A 100 -3.499 3.995 -6.199 1.00 0.22 N ATOM 1540 CA THR A 100 -4.711 3.362 -6.680 1.00 0.22 C ATOM 1541 C THR A 100 -4.648 1.853 -6.487 1.00 0.23 C ATOM 1542 O THR A 100 -3.677 1.209 -6.892 1.00 0.31 O ATOM 1543 CB THR A 100 -4.942 3.654 -8.174 1.00 0.23 C ATOM 1544 OG1 THR A 100 -3.742 3.393 -8.914 1.00 0.26 O ATOM 1545 CG2 THR A 100 -5.361 5.096 -8.389 1.00 0.24 C ATOM 0 H THR A 100 -2.640 3.594 -6.575 1.00 0.22 H new ATOM 0 HA THR A 100 -5.536 3.776 -6.100 1.00 0.22 H new ATOM 0 HB THR A 100 -5.742 3.002 -8.526 1.00 0.23 H new ATOM 0 HG1 THR A 100 -3.218 2.703 -8.455 1.00 0.26 H new ATOM 0 HG21 THR A 100 -5.517 5.275 -9.453 1.00 0.24 H new ATOM 0 HG22 THR A 100 -6.287 5.290 -7.848 1.00 0.24 H new ATOM 0 HG23 THR A 100 -4.580 5.761 -8.020 1.00 0.24 H new ATOM 1553 N ALA A 101 -5.678 1.298 -5.871 1.00 0.21 N ATOM 1554 CA ALA A 101 -5.759 -0.132 -5.643 1.00 0.23 C ATOM 1555 C ALA A 101 -6.887 -0.711 -6.476 1.00 0.22 C ATOM 1556 O ALA A 101 -8.009 -0.200 -6.455 1.00 0.23 O ATOM 1557 CB ALA A 101 -5.960 -0.429 -4.161 1.00 0.26 C ATOM 0 H ALA A 101 -6.477 1.824 -5.517 1.00 0.21 H new ATOM 0 HA ALA A 101 -4.823 -0.600 -5.947 1.00 0.23 H new ATOM 0 HB1 ALA A 101 -6.018 -1.507 -4.011 1.00 0.26 H new ATOM 0 HB2 ALA A 101 -5.121 -0.028 -3.593 1.00 0.26 H new ATOM 0 HB3 ALA A 101 -6.885 0.036 -3.819 1.00 0.26 H new ATOM 1563 N GLU A 102 -6.597 -1.771 -7.211 1.00 0.22 N ATOM 1564 CA GLU A 102 -7.601 -2.381 -8.061 1.00 0.23 C ATOM 1565 C GLU A 102 -7.315 -3.856 -8.279 1.00 0.24 C ATOM 1566 O GLU A 102 -6.260 -4.364 -7.892 1.00 0.26 O ATOM 1567 CB GLU A 102 -7.665 -1.650 -9.406 1.00 0.25 C ATOM 1568 CG GLU A 102 -6.343 -1.646 -10.167 1.00 0.33 C ATOM 1569 CD GLU A 102 -6.248 -0.517 -11.176 1.00 0.56 C ATOM 1570 OE1 GLU A 102 -7.231 -0.284 -11.909 1.00 1.18 O ATOM 1571 OE2 GLU A 102 -5.186 0.138 -11.252 1.00 1.38 O ATOM 0 H GLU A 102 -5.683 -2.223 -7.236 1.00 0.22 H new ATOM 0 HA GLU A 102 -8.566 -2.296 -7.561 1.00 0.23 H new ATOM 0 HB2 GLU A 102 -8.430 -2.117 -10.027 1.00 0.25 H new ATOM 0 HB3 GLU A 102 -7.978 -0.620 -9.235 1.00 0.25 H new ATOM 0 HG2 GLU A 102 -5.521 -1.562 -9.457 1.00 0.33 H new ATOM 0 HG3 GLU A 102 -6.223 -2.599 -10.683 1.00 0.33 H new ATOM 1578 N ILE A 103 -8.260 -4.523 -8.920 1.00 0.27 N ATOM 1579 CA ILE A 103 -8.147 -5.941 -9.204 1.00 0.29 C ATOM 1580 C ILE A 103 -7.939 -6.148 -10.698 1.00 0.31 C ATOM 1581 O ILE A 103 -8.748 -5.704 -11.512 1.00 0.36 O ATOM 1582 CB ILE A 103 -9.415 -6.716 -8.765 1.00 0.31 C ATOM 1583 CG1 ILE A 103 -9.743 -6.443 -7.291 1.00 0.33 C ATOM 1584 CG2 ILE A 103 -9.245 -8.211 -9.010 1.00 0.36 C ATOM 1585 CD1 ILE A 103 -8.763 -7.070 -6.320 1.00 0.37 C ATOM 0 H ILE A 103 -9.124 -4.097 -9.257 1.00 0.27 H new ATOM 0 HA ILE A 103 -7.296 -6.324 -8.641 1.00 0.29 H new ATOM 0 HB ILE A 103 -10.251 -6.363 -9.368 1.00 0.31 H new ATOM 0 HG12 ILE A 103 -9.764 -5.366 -7.127 1.00 0.33 H new ATOM 0 HG13 ILE A 103 -10.744 -6.818 -7.076 1.00 0.33 H new ATOM 0 HG21 ILE A 103 -10.147 -8.736 -8.695 1.00 0.36 H new ATOM 0 HG22 ILE A 103 -9.074 -8.389 -10.072 1.00 0.36 H new ATOM 0 HG23 ILE A 103 -8.393 -8.579 -8.439 1.00 0.36 H new ATOM 0 HD11 ILE A 103 -9.061 -6.833 -5.299 1.00 0.37 H new ATOM 0 HD12 ILE A 103 -8.758 -8.152 -6.455 1.00 0.37 H new ATOM 0 HD13 ILE A 103 -7.764 -6.677 -6.507 1.00 0.37 H new ATOM 1597 N SER A 104 -6.847 -6.799 -11.050 1.00 0.34 N ATOM 1598 CA SER A 104 -6.533 -7.068 -12.438 1.00 0.38 C ATOM 1599 C SER A 104 -6.021 -8.495 -12.590 1.00 0.48 C ATOM 1600 O SER A 104 -4.959 -8.847 -12.066 1.00 0.88 O ATOM 1601 CB SER A 104 -5.500 -6.063 -12.941 1.00 0.55 C ATOM 1602 OG SER A 104 -6.052 -4.756 -13.013 1.00 1.37 O ATOM 0 H SER A 104 -6.158 -7.154 -10.387 1.00 0.34 H new ATOM 0 HA SER A 104 -7.437 -6.963 -13.039 1.00 0.38 H new ATOM 0 HB2 SER A 104 -4.636 -6.060 -12.276 1.00 0.55 H new ATOM 0 HB3 SER A 104 -5.143 -6.365 -13.926 1.00 0.55 H new ATOM 0 HG SER A 104 -5.370 -4.130 -13.336 1.00 1.37 H new ATOM 1608 N GLY A 105 -6.794 -9.315 -13.284 1.00 0.53 N ATOM 1609 CA GLY A 105 -6.427 -10.699 -13.483 1.00 0.64 C ATOM 1610 C GLY A 105 -6.631 -11.503 -12.217 1.00 0.63 C ATOM 1611 O GLY A 105 -5.952 -12.502 -11.986 1.00 0.96 O ATOM 0 H GLY A 105 -7.677 -9.043 -13.716 1.00 0.53 H new ATOM 0 HA2 GLY A 105 -7.025 -11.125 -14.289 1.00 0.64 H new ATOM 0 HA3 GLY A 105 -5.384 -10.761 -13.793 1.00 0.64 H new ATOM 1615 N GLY A 106 -7.581 -11.060 -11.395 1.00 0.49 N ATOM 1616 CA GLY A 106 -7.859 -11.730 -10.135 1.00 0.50 C ATOM 1617 C GLY A 106 -6.768 -11.481 -9.118 1.00 0.44 C ATOM 1618 O GLY A 106 -6.549 -12.289 -8.215 1.00 0.48 O ATOM 0 H GLY A 106 -8.165 -10.245 -11.581 1.00 0.49 H new ATOM 0 HA2 GLY A 106 -8.812 -11.380 -9.739 1.00 0.50 H new ATOM 0 HA3 GLY A 106 -7.959 -12.802 -10.307 1.00 0.50 H new ATOM 1622 N LYS A 107 -6.076 -10.362 -9.278 1.00 0.38 N ATOM 1623 CA LYS A 107 -4.988 -9.996 -8.385 1.00 0.35 C ATOM 1624 C LYS A 107 -5.065 -8.530 -7.996 1.00 0.32 C ATOM 1625 O LYS A 107 -5.593 -7.705 -8.742 1.00 0.33 O ATOM 1626 CB LYS A 107 -3.644 -10.270 -9.054 1.00 0.34 C ATOM 1627 CG LYS A 107 -3.033 -11.602 -8.662 1.00 0.38 C ATOM 1628 CD LYS A 107 -2.090 -12.121 -9.734 1.00 0.66 C ATOM 1629 CE LYS A 107 -1.338 -13.351 -9.261 1.00 0.75 C ATOM 1630 NZ LYS A 107 -2.251 -14.477 -8.927 1.00 1.22 N ATOM 0 H LYS A 107 -6.251 -9.688 -10.024 1.00 0.38 H new ATOM 0 HA LYS A 107 -5.081 -10.601 -7.483 1.00 0.35 H new ATOM 0 HB2 LYS A 107 -3.774 -10.243 -10.136 1.00 0.34 H new ATOM 0 HB3 LYS A 107 -2.949 -9.471 -8.796 1.00 0.34 H new ATOM 0 HG2 LYS A 107 -2.492 -11.492 -7.722 1.00 0.38 H new ATOM 0 HG3 LYS A 107 -3.826 -12.330 -8.490 1.00 0.38 H new ATOM 0 HD2 LYS A 107 -2.657 -12.362 -10.633 1.00 0.66 H new ATOM 0 HD3 LYS A 107 -1.380 -11.340 -10.005 1.00 0.66 H new ATOM 0 HE2 LYS A 107 -0.641 -13.669 -10.037 1.00 0.75 H new ATOM 0 HE3 LYS A 107 -0.743 -13.096 -8.384 1.00 0.75 H new ATOM 0 HZ1 LYS A 107 -1.690 -15.325 -8.707 1.00 1.22 H new ATOM 0 HZ2 LYS A 107 -2.830 -14.221 -8.102 1.00 1.22 H new ATOM 0 HZ3 LYS A 107 -2.871 -14.673 -9.738 1.00 1.22 H new ATOM 1644 N LEU A 108 -4.520 -8.218 -6.831 1.00 0.30 N ATOM 1645 CA LEU A 108 -4.506 -6.856 -6.318 1.00 0.28 C ATOM 1646 C LEU A 108 -3.233 -6.170 -6.769 1.00 0.27 C ATOM 1647 O LEU A 108 -2.134 -6.607 -6.434 1.00 0.29 O ATOM 1648 CB LEU A 108 -4.573 -6.875 -4.782 1.00 0.29 C ATOM 1649 CG LEU A 108 -5.051 -5.587 -4.091 1.00 0.34 C ATOM 1650 CD1 LEU A 108 -4.058 -4.454 -4.270 1.00 0.82 C ATOM 1651 CD2 LEU A 108 -6.422 -5.178 -4.593 1.00 0.76 C ATOM 0 H LEU A 108 -4.076 -8.899 -6.215 1.00 0.30 H new ATOM 0 HA LEU A 108 -5.370 -6.313 -6.701 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -5.235 -7.687 -4.481 1.00 0.29 H new ATOM 0 HB3 LEU A 108 -3.580 -7.116 -4.402 1.00 0.29 H new ATOM 0 HG LEU A 108 -5.124 -5.800 -3.024 1.00 0.34 H new ATOM 0 HD11 LEU A 108 -4.431 -3.561 -3.768 1.00 0.82 H new ATOM 0 HD12 LEU A 108 -3.099 -4.739 -3.838 1.00 0.82 H new ATOM 0 HD13 LEU A 108 -3.930 -4.246 -5.332 1.00 0.82 H new ATOM 0 HD21 LEU A 108 -6.737 -4.264 -4.088 1.00 0.76 H new ATOM 0 HD22 LEU A 108 -6.378 -5.002 -5.668 1.00 0.76 H new ATOM 0 HD23 LEU A 108 -7.138 -5.973 -4.384 1.00 0.76 H new ATOM 1663 N VAL A 109 -3.379 -5.112 -7.539 1.00 0.28 N ATOM 1664 CA VAL A 109 -2.234 -4.363 -8.012 1.00 0.29 C ATOM 1665 C VAL A 109 -2.330 -2.909 -7.567 1.00 0.29 C ATOM 1666 O VAL A 109 -3.258 -2.187 -7.939 1.00 0.33 O ATOM 1667 CB VAL A 109 -2.083 -4.465 -9.548 1.00 0.30 C ATOM 1668 CG1 VAL A 109 -3.390 -4.142 -10.261 1.00 0.33 C ATOM 1669 CG2 VAL A 109 -0.955 -3.571 -10.046 1.00 0.32 C ATOM 0 H VAL A 109 -4.281 -4.751 -7.851 1.00 0.28 H new ATOM 0 HA VAL A 109 -1.340 -4.802 -7.569 1.00 0.29 H new ATOM 0 HB VAL A 109 -1.826 -5.498 -9.784 1.00 0.30 H new ATOM 0 HG11 VAL A 109 -3.247 -4.224 -11.338 1.00 0.33 H new ATOM 0 HG12 VAL A 109 -4.161 -4.844 -9.943 1.00 0.33 H new ATOM 0 HG13 VAL A 109 -3.699 -3.127 -10.012 1.00 0.33 H new ATOM 0 HG21 VAL A 109 -0.870 -3.661 -11.129 1.00 0.32 H new ATOM 0 HG22 VAL A 109 -1.169 -2.535 -9.784 1.00 0.32 H new ATOM 0 HG23 VAL A 109 -0.017 -3.876 -9.582 1.00 0.32 H new ATOM 1679 N GLU A 110 -1.394 -2.499 -6.729 1.00 0.28 N ATOM 1680 CA GLU A 110 -1.364 -1.139 -6.231 1.00 0.30 C ATOM 1681 C GLU A 110 -0.319 -0.338 -6.980 1.00 0.28 C ATOM 1682 O GLU A 110 0.847 -0.739 -7.064 1.00 0.34 O ATOM 1683 CB GLU A 110 -1.067 -1.105 -4.732 1.00 0.34 C ATOM 1684 CG GLU A 110 -2.177 -1.687 -3.872 1.00 0.71 C ATOM 1685 CD GLU A 110 -1.863 -1.608 -2.390 1.00 1.02 C ATOM 1686 OE1 GLU A 110 -1.192 -0.641 -1.979 1.00 1.69 O ATOM 1687 OE2 GLU A 110 -2.267 -2.516 -1.638 1.00 1.45 O ATOM 0 H GLU A 110 -0.642 -3.093 -6.379 1.00 0.28 H new ATOM 0 HA GLU A 110 -2.347 -0.697 -6.393 1.00 0.30 H new ATOM 0 HB2 GLU A 110 -0.146 -1.656 -4.541 1.00 0.34 H new ATOM 0 HB3 GLU A 110 -0.890 -0.073 -4.430 1.00 0.34 H new ATOM 0 HG2 GLU A 110 -3.106 -1.153 -4.073 1.00 0.71 H new ATOM 0 HG3 GLU A 110 -2.341 -2.728 -4.151 1.00 0.71 H new ATOM 1694 N ILE A 111 -0.748 0.775 -7.540 1.00 0.26 N ATOM 1695 CA ILE A 111 0.138 1.643 -8.285 1.00 0.24 C ATOM 1696 C ILE A 111 0.366 2.925 -7.500 1.00 0.25 C ATOM 1697 O ILE A 111 -0.587 3.568 -7.062 1.00 0.30 O ATOM 1698 CB ILE A 111 -0.424 1.981 -9.686 1.00 0.26 C ATOM 1699 CG1 ILE A 111 -0.625 0.702 -10.509 1.00 0.29 C ATOM 1700 CG2 ILE A 111 0.512 2.937 -10.417 1.00 0.29 C ATOM 1701 CD1 ILE A 111 -2.017 0.113 -10.409 1.00 0.37 C ATOM 0 H ILE A 111 -1.713 1.101 -7.492 1.00 0.26 H new ATOM 0 HA ILE A 111 1.081 1.116 -8.428 1.00 0.24 H new ATOM 0 HB ILE A 111 -1.391 2.467 -9.560 1.00 0.26 H new ATOM 0 HG12 ILE A 111 -0.408 0.918 -11.555 1.00 0.29 H new ATOM 0 HG13 ILE A 111 0.098 -0.045 -10.182 1.00 0.29 H new ATOM 0 HG21 ILE A 111 0.103 3.165 -11.401 1.00 0.29 H new ATOM 0 HG22 ILE A 111 0.612 3.858 -9.843 1.00 0.29 H new ATOM 0 HG23 ILE A 111 1.491 2.472 -10.530 1.00 0.29 H new ATOM 0 HD11 ILE A 111 -2.076 -0.788 -11.019 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -2.232 -0.138 -9.370 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -2.746 0.841 -10.765 1.00 0.37 H new ATOM 1713 N SER A 112 1.628 3.266 -7.303 1.00 0.23 N ATOM 1714 CA SER A 112 2.005 4.460 -6.568 1.00 0.24 C ATOM 1715 C SER A 112 2.924 5.329 -7.412 1.00 0.22 C ATOM 1716 O SER A 112 4.031 4.921 -7.763 1.00 0.25 O ATOM 1717 CB SER A 112 2.711 4.072 -5.270 1.00 0.28 C ATOM 1718 OG SER A 112 1.985 3.081 -4.566 1.00 0.37 O ATOM 0 H SER A 112 2.419 2.723 -7.648 1.00 0.23 H new ATOM 0 HA SER A 112 1.103 5.024 -6.331 1.00 0.24 H new ATOM 0 HB2 SER A 112 3.712 3.702 -5.494 1.00 0.28 H new ATOM 0 HB3 SER A 112 2.831 4.954 -4.641 1.00 0.28 H new ATOM 0 HG SER A 112 2.461 2.851 -3.741 1.00 0.37 H new ATOM 1724 N THR A 113 2.460 6.512 -7.765 1.00 0.22 N ATOM 1725 CA THR A 113 3.262 7.425 -8.557 1.00 0.22 C ATOM 1726 C THR A 113 3.857 8.515 -7.679 1.00 0.23 C ATOM 1727 O THR A 113 3.150 9.124 -6.875 1.00 0.26 O ATOM 1728 CB THR A 113 2.439 8.084 -9.668 1.00 0.25 C ATOM 1729 OG1 THR A 113 1.297 7.277 -9.986 1.00 0.27 O ATOM 1730 CG2 THR A 113 3.297 8.280 -10.908 1.00 0.27 C ATOM 0 H THR A 113 1.535 6.863 -7.517 1.00 0.22 H new ATOM 0 HA THR A 113 4.059 6.835 -9.011 1.00 0.22 H new ATOM 0 HB THR A 113 2.095 9.057 -9.317 1.00 0.25 H new ATOM 0 HG1 THR A 113 0.778 7.710 -10.696 1.00 0.27 H new ATOM 0 HG21 THR A 113 2.702 8.749 -11.692 1.00 0.27 H new ATOM 0 HG22 THR A 113 4.146 8.919 -10.666 1.00 0.27 H new ATOM 0 HG23 THR A 113 3.659 7.313 -11.257 1.00 0.27 H new ATOM 1738 N SER A 114 5.156 8.730 -7.814 1.00 0.25 N ATOM 1739 CA SER A 114 5.843 9.753 -7.044 1.00 0.30 C ATOM 1740 C SER A 114 6.982 10.357 -7.856 1.00 0.29 C ATOM 1741 O SER A 114 7.953 9.673 -8.189 1.00 0.30 O ATOM 1742 CB SER A 114 6.377 9.164 -5.739 1.00 0.38 C ATOM 1743 OG SER A 114 5.330 8.595 -4.973 1.00 1.43 O ATOM 0 H SER A 114 5.757 8.208 -8.452 1.00 0.25 H new ATOM 0 HA SER A 114 5.131 10.543 -6.806 1.00 0.30 H new ATOM 0 HB2 SER A 114 7.126 8.404 -5.959 1.00 0.38 H new ATOM 0 HB3 SER A 114 6.874 9.943 -5.161 1.00 0.38 H new ATOM 0 HG SER A 114 5.271 9.053 -4.109 1.00 1.43 H new ATOM 1749 N SER A 115 6.825 11.632 -8.195 1.00 0.37 N ATOM 1750 CA SER A 115 7.819 12.378 -8.958 1.00 0.47 C ATOM 1751 C SER A 115 8.175 11.700 -10.284 1.00 0.47 C ATOM 1752 O SER A 115 9.335 11.703 -10.700 1.00 0.57 O ATOM 1753 CB SER A 115 9.076 12.580 -8.109 1.00 0.54 C ATOM 1754 OG SER A 115 8.786 13.323 -6.934 1.00 0.63 O ATOM 0 H SER A 115 6.001 12.180 -7.947 1.00 0.37 H new ATOM 0 HA SER A 115 7.381 13.345 -9.207 1.00 0.47 H new ATOM 0 HB2 SER A 115 9.494 11.611 -7.836 1.00 0.54 H new ATOM 0 HB3 SER A 115 9.834 13.101 -8.694 1.00 0.54 H new ATOM 0 HG SER A 115 9.605 13.437 -6.408 1.00 0.63 H new ATOM 1760 N GLY A 116 7.178 11.120 -10.943 1.00 0.42 N ATOM 1761 CA GLY A 116 7.413 10.478 -12.228 1.00 0.46 C ATOM 1762 C GLY A 116 7.643 8.983 -12.132 1.00 0.40 C ATOM 1763 O GLY A 116 7.449 8.259 -13.108 1.00 0.46 O ATOM 0 H GLY A 116 6.213 11.082 -10.614 1.00 0.42 H new ATOM 0 HA2 GLY A 116 6.558 10.664 -12.878 1.00 0.46 H new ATOM 0 HA3 GLY A 116 8.279 10.940 -12.701 1.00 0.46 H new ATOM 1767 N VAL A 117 8.055 8.506 -10.969 1.00 0.33 N ATOM 1768 CA VAL A 117 8.306 7.085 -10.798 1.00 0.29 C ATOM 1769 C VAL A 117 7.020 6.349 -10.447 1.00 0.28 C ATOM 1770 O VAL A 117 6.364 6.654 -9.449 1.00 0.29 O ATOM 1771 CB VAL A 117 9.373 6.807 -9.718 1.00 0.30 C ATOM 1772 CG1 VAL A 117 9.546 5.311 -9.500 1.00 0.52 C ATOM 1773 CG2 VAL A 117 10.698 7.439 -10.106 1.00 0.53 C ATOM 0 H VAL A 117 8.221 9.074 -10.138 1.00 0.33 H new ATOM 0 HA VAL A 117 8.688 6.717 -11.750 1.00 0.29 H new ATOM 0 HB VAL A 117 9.033 7.252 -8.783 1.00 0.30 H new ATOM 0 HG11 VAL A 117 10.303 5.140 -8.735 1.00 0.52 H new ATOM 0 HG12 VAL A 117 8.599 4.878 -9.177 1.00 0.52 H new ATOM 0 HG13 VAL A 117 9.860 4.841 -10.432 1.00 0.52 H new ATOM 0 HG21 VAL A 117 11.439 7.233 -9.334 1.00 0.53 H new ATOM 0 HG22 VAL A 117 11.037 7.021 -11.054 1.00 0.53 H new ATOM 0 HG23 VAL A 117 10.571 8.517 -10.209 1.00 0.53 H new ATOM 1783 N VAL A 118 6.652 5.404 -11.297 1.00 0.27 N ATOM 1784 CA VAL A 118 5.456 4.609 -11.088 1.00 0.27 C ATOM 1785 C VAL A 118 5.797 3.261 -10.464 1.00 0.25 C ATOM 1786 O VAL A 118 6.331 2.369 -11.124 1.00 0.29 O ATOM 1787 CB VAL A 118 4.691 4.375 -12.405 1.00 0.29 C ATOM 1788 CG1 VAL A 118 3.426 3.573 -12.159 1.00 0.97 C ATOM 1789 CG2 VAL A 118 4.361 5.696 -13.069 1.00 0.86 C ATOM 0 H VAL A 118 7.170 5.169 -12.144 1.00 0.27 H new ATOM 0 HA VAL A 118 4.819 5.173 -10.407 1.00 0.27 H new ATOM 0 HB VAL A 118 5.333 3.802 -13.074 1.00 0.29 H new ATOM 0 HG11 VAL A 118 2.903 3.420 -13.103 1.00 0.97 H new ATOM 0 HG12 VAL A 118 3.686 2.606 -11.728 1.00 0.97 H new ATOM 0 HG13 VAL A 118 2.779 4.116 -11.469 1.00 0.97 H new ATOM 0 HG21 VAL A 118 3.821 5.512 -13.998 1.00 0.86 H new ATOM 0 HG22 VAL A 118 3.741 6.294 -12.401 1.00 0.86 H new ATOM 0 HG23 VAL A 118 5.283 6.234 -13.287 1.00 0.86 H new ATOM 1799 N TYR A 119 5.488 3.134 -9.189 1.00 0.22 N ATOM 1800 CA TYR A 119 5.735 1.896 -8.460 1.00 0.21 C ATOM 1801 C TYR A 119 4.508 1.010 -8.555 1.00 0.22 C ATOM 1802 O TYR A 119 3.389 1.463 -8.323 1.00 0.29 O ATOM 1803 CB TYR A 119 6.069 2.184 -6.990 1.00 0.22 C ATOM 1804 CG TYR A 119 6.122 0.949 -6.109 1.00 0.21 C ATOM 1805 CD1 TYR A 119 7.020 -0.081 -6.367 1.00 1.17 C ATOM 1806 CD2 TYR A 119 5.274 0.819 -5.017 1.00 1.21 C ATOM 1807 CE1 TYR A 119 7.070 -1.205 -5.560 1.00 1.20 C ATOM 1808 CE2 TYR A 119 5.321 -0.300 -4.205 1.00 1.22 C ATOM 1809 CZ TYR A 119 6.218 -1.309 -4.482 1.00 0.34 C ATOM 1810 OH TYR A 119 6.264 -2.425 -3.673 1.00 0.43 O ATOM 0 H TYR A 119 5.063 3.874 -8.630 1.00 0.22 H new ATOM 0 HA TYR A 119 6.590 1.387 -8.904 1.00 0.21 H new ATOM 0 HB2 TYR A 119 7.032 2.693 -6.941 1.00 0.22 H new ATOM 0 HB3 TYR A 119 5.325 2.871 -6.588 1.00 0.22 H new ATOM 0 HD1 TYR A 119 7.690 -0.003 -7.211 1.00 1.17 H new ATOM 0 HD2 TYR A 119 4.566 1.605 -4.798 1.00 1.21 H new ATOM 0 HE1 TYR A 119 7.773 -1.996 -5.774 1.00 1.20 H new ATOM 0 HE2 TYR A 119 4.657 -0.383 -3.357 1.00 1.22 H new ATOM 0 HH TYR A 119 5.784 -2.244 -2.838 1.00 0.43 H new ATOM 1820 N LYS A 120 4.712 -0.244 -8.916 1.00 0.21 N ATOM 1821 CA LYS A 120 3.609 -1.171 -9.048 1.00 0.23 C ATOM 1822 C LYS A 120 3.882 -2.469 -8.319 1.00 0.24 C ATOM 1823 O LYS A 120 4.886 -3.136 -8.564 1.00 0.29 O ATOM 1824 CB LYS A 120 3.357 -1.439 -10.521 1.00 0.28 C ATOM 1825 CG LYS A 120 2.782 -0.231 -11.233 1.00 0.31 C ATOM 1826 CD LYS A 120 3.165 -0.203 -12.698 1.00 0.46 C ATOM 1827 CE LYS A 120 2.377 -1.219 -13.495 1.00 0.87 C ATOM 1828 NZ LYS A 120 3.150 -1.724 -14.657 1.00 1.17 N ATOM 0 H LYS A 120 5.629 -0.640 -9.122 1.00 0.21 H new ATOM 0 HA LYS A 120 2.724 -0.723 -8.595 1.00 0.23 H new ATOM 0 HB2 LYS A 120 4.292 -1.730 -11.000 1.00 0.28 H new ATOM 0 HB3 LYS A 120 2.671 -2.280 -10.623 1.00 0.28 H new ATOM 0 HG2 LYS A 120 1.696 -0.239 -11.142 1.00 0.31 H new ATOM 0 HG3 LYS A 120 3.136 0.679 -10.748 1.00 0.31 H new ATOM 0 HD2 LYS A 120 2.990 0.794 -13.102 1.00 0.46 H new ATOM 0 HD3 LYS A 120 4.231 -0.406 -12.801 1.00 0.46 H new ATOM 0 HE2 LYS A 120 2.102 -2.054 -12.850 1.00 0.87 H new ATOM 0 HE3 LYS A 120 1.449 -0.767 -13.844 1.00 0.87 H new ATOM 0 HZ1 LYS A 120 2.598 -2.455 -15.150 1.00 1.17 H new ATOM 0 HZ2 LYS A 120 3.347 -0.939 -15.311 1.00 1.17 H new ATOM 0 HZ3 LYS A 120 4.047 -2.132 -14.326 1.00 1.17 H new ATOM 1842 N ARG A 121 2.981 -2.824 -7.427 1.00 0.25 N ATOM 1843 CA ARG A 121 3.118 -4.054 -6.669 1.00 0.28 C ATOM 1844 C ARG A 121 1.878 -4.920 -6.834 1.00 0.28 C ATOM 1845 O ARG A 121 0.752 -4.456 -6.657 1.00 0.34 O ATOM 1846 CB ARG A 121 3.402 -3.776 -5.182 1.00 0.36 C ATOM 1847 CG ARG A 121 2.253 -3.127 -4.419 1.00 0.59 C ATOM 1848 CD ARG A 121 2.569 -3.045 -2.934 1.00 0.84 C ATOM 1849 NE ARG A 121 1.493 -2.412 -2.159 1.00 1.20 N ATOM 1850 CZ ARG A 121 1.410 -2.424 -0.824 1.00 1.59 C ATOM 1851 NH1 ARG A 121 2.328 -3.052 -0.096 1.00 1.88 N ATOM 1852 NH2 ARG A 121 0.401 -1.805 -0.219 1.00 2.48 N ATOM 0 H ARG A 121 2.146 -2.280 -7.208 1.00 0.25 H new ATOM 0 HA ARG A 121 3.976 -4.597 -7.066 1.00 0.28 H new ATOM 0 HB2 ARG A 121 3.657 -4.717 -4.694 1.00 0.36 H new ATOM 0 HB3 ARG A 121 4.278 -3.131 -5.109 1.00 0.36 H new ATOM 0 HG2 ARG A 121 2.069 -2.127 -4.812 1.00 0.59 H new ATOM 0 HG3 ARG A 121 1.340 -3.702 -4.570 1.00 0.59 H new ATOM 0 HD2 ARG A 121 2.746 -4.049 -2.549 1.00 0.84 H new ATOM 0 HD3 ARG A 121 3.492 -2.482 -2.794 1.00 0.84 H new ATOM 0 HE ARG A 121 0.758 -1.929 -2.675 1.00 1.20 H new ATOM 0 HH11 ARG A 121 3.104 -3.530 -0.555 1.00 1.88 H new ATOM 0 HH12 ARG A 121 2.257 -3.056 0.922 1.00 1.88 H new ATOM 0 HH21 ARG A 121 -0.307 -1.323 -0.773 1.00 2.48 H new ATOM 0 HH22 ARG A 121 0.335 -1.812 0.799 1.00 2.48 H new ATOM 1866 N THR A 122 2.094 -6.164 -7.208 1.00 0.27 N ATOM 1867 CA THR A 122 1.015 -7.108 -7.402 1.00 0.27 C ATOM 1868 C THR A 122 0.974 -8.093 -6.240 1.00 0.25 C ATOM 1869 O THR A 122 2.011 -8.613 -5.822 1.00 0.29 O ATOM 1870 CB THR A 122 1.187 -7.872 -8.728 1.00 0.31 C ATOM 1871 OG1 THR A 122 1.432 -6.940 -9.791 1.00 0.43 O ATOM 1872 CG2 THR A 122 -0.050 -8.694 -9.042 1.00 0.34 C ATOM 0 H THR A 122 3.022 -6.548 -7.386 1.00 0.27 H new ATOM 0 HA THR A 122 0.077 -6.555 -7.442 1.00 0.27 H new ATOM 0 HB THR A 122 2.035 -8.550 -8.631 1.00 0.31 H new ATOM 0 HG1 THR A 122 1.543 -7.427 -10.634 1.00 0.43 H new ATOM 0 HG21 THR A 122 0.095 -9.225 -9.983 1.00 0.34 H new ATOM 0 HG22 THR A 122 -0.221 -9.414 -8.242 1.00 0.34 H new ATOM 0 HG23 THR A 122 -0.913 -8.034 -9.127 1.00 0.34 H new ATOM 1880 N SER A 123 -0.210 -8.315 -5.702 1.00 0.24 N ATOM 1881 CA SER A 123 -0.379 -9.236 -4.600 1.00 0.23 C ATOM 1882 C SER A 123 -1.481 -10.242 -4.909 1.00 0.23 C ATOM 1883 O SER A 123 -2.525 -9.887 -5.465 1.00 0.25 O ATOM 1884 CB SER A 123 -0.721 -8.462 -3.325 1.00 0.25 C ATOM 1885 OG SER A 123 0.046 -7.275 -3.234 1.00 0.38 O ATOM 0 H SER A 123 -1.071 -7.867 -6.014 1.00 0.24 H new ATOM 0 HA SER A 123 0.555 -9.779 -4.452 1.00 0.23 H new ATOM 0 HB2 SER A 123 -1.783 -8.215 -3.318 1.00 0.25 H new ATOM 0 HB3 SER A 123 -0.534 -9.089 -2.453 1.00 0.25 H new ATOM 0 HG SER A 123 -0.190 -6.795 -2.413 1.00 0.38 H new ATOM 1891 N LYS A 124 -1.231 -11.494 -4.573 1.00 0.23 N ATOM 1892 CA LYS A 124 -2.201 -12.556 -4.790 1.00 0.25 C ATOM 1893 C LYS A 124 -3.201 -12.581 -3.642 1.00 0.22 C ATOM 1894 O LYS A 124 -2.909 -12.086 -2.552 1.00 0.21 O ATOM 1895 CB LYS A 124 -1.494 -13.907 -4.895 1.00 0.29 C ATOM 1896 CG LYS A 124 -0.622 -14.225 -3.691 1.00 0.31 C ATOM 1897 CD LYS A 124 -0.105 -15.654 -3.733 1.00 0.43 C ATOM 1898 CE LYS A 124 1.110 -15.838 -2.836 1.00 0.61 C ATOM 1899 NZ LYS A 124 2.268 -15.029 -3.304 1.00 1.45 N ATOM 0 H LYS A 124 -0.358 -11.804 -4.145 1.00 0.23 H new ATOM 0 HA LYS A 124 -2.730 -12.365 -5.724 1.00 0.25 H new ATOM 0 HB2 LYS A 124 -2.241 -14.692 -5.011 1.00 0.29 H new ATOM 0 HB3 LYS A 124 -0.878 -13.918 -5.794 1.00 0.29 H new ATOM 0 HG2 LYS A 124 0.220 -13.534 -3.659 1.00 0.31 H new ATOM 0 HG3 LYS A 124 -1.195 -14.072 -2.776 1.00 0.31 H new ATOM 0 HD2 LYS A 124 -0.895 -16.336 -3.420 1.00 0.43 H new ATOM 0 HD3 LYS A 124 0.156 -15.917 -4.758 1.00 0.43 H new ATOM 0 HE2 LYS A 124 0.855 -15.552 -1.815 1.00 0.61 H new ATOM 0 HE3 LYS A 124 1.388 -16.892 -2.812 1.00 0.61 H new ATOM 0 HZ1 LYS A 124 3.146 -15.416 -2.904 1.00 1.45 H new ATOM 0 HZ2 LYS A 124 2.317 -15.061 -4.342 1.00 1.45 H new ATOM 0 HZ3 LYS A 124 2.151 -14.043 -2.993 1.00 1.45 H new ATOM 1913 N LYS A 125 -4.369 -13.154 -3.885 1.00 0.24 N ATOM 1914 CA LYS A 125 -5.398 -13.234 -2.862 1.00 0.23 C ATOM 1915 C LYS A 125 -5.489 -14.645 -2.305 1.00 0.25 C ATOM 1916 O LYS A 125 -5.723 -15.606 -3.041 1.00 0.31 O ATOM 1917 CB LYS A 125 -6.756 -12.799 -3.411 1.00 0.27 C ATOM 1918 CG LYS A 125 -7.610 -12.065 -2.385 1.00 0.29 C ATOM 1919 CD LYS A 125 -8.203 -13.004 -1.349 1.00 0.38 C ATOM 1920 CE LYS A 125 -9.595 -13.459 -1.748 1.00 0.39 C ATOM 1921 NZ LYS A 125 -10.452 -12.319 -2.192 1.00 1.45 N ATOM 0 H LYS A 125 -4.627 -13.570 -4.780 1.00 0.24 H new ATOM 0 HA LYS A 125 -5.120 -12.554 -2.057 1.00 0.23 H new ATOM 0 HB2 LYS A 125 -6.601 -12.153 -4.275 1.00 0.27 H new ATOM 0 HB3 LYS A 125 -7.297 -13.677 -3.763 1.00 0.27 H new ATOM 0 HG2 LYS A 125 -7.003 -11.311 -1.883 1.00 0.29 H new ATOM 0 HG3 LYS A 125 -8.415 -11.537 -2.897 1.00 0.29 H new ATOM 0 HD2 LYS A 125 -7.555 -13.872 -1.229 1.00 0.38 H new ATOM 0 HD3 LYS A 125 -8.246 -12.502 -0.382 1.00 0.38 H new ATOM 0 HE2 LYS A 125 -9.520 -14.191 -2.552 1.00 0.39 H new ATOM 0 HE3 LYS A 125 -10.068 -13.961 -0.904 1.00 0.39 H new ATOM 0 HZ1 LYS A 125 -11.452 -12.604 -2.162 1.00 1.45 H new ATOM 0 HZ2 LYS A 125 -10.305 -11.507 -1.559 1.00 1.45 H new ATOM 0 HZ3 LYS A 125 -10.197 -12.051 -3.164 1.00 1.45 H new ATOM 1935 N ILE A 126 -5.294 -14.759 -1.006 1.00 0.24 N ATOM 1936 CA ILE A 126 -5.361 -16.039 -0.329 1.00 0.28 C ATOM 1937 C ILE A 126 -6.223 -15.904 0.920 1.00 0.30 C ATOM 1938 O ILE A 126 -6.559 -14.791 1.335 1.00 0.28 O ATOM 1939 CB ILE A 126 -3.956 -16.564 0.063 1.00 0.29 C ATOM 1940 CG1 ILE A 126 -2.857 -15.823 -0.707 1.00 0.28 C ATOM 1941 CG2 ILE A 126 -3.861 -18.064 -0.186 1.00 0.35 C ATOM 1942 CD1 ILE A 126 -2.267 -14.654 0.050 1.00 0.27 C ATOM 0 H ILE A 126 -5.086 -13.971 -0.393 1.00 0.24 H new ATOM 0 HA ILE A 126 -5.801 -16.760 -1.018 1.00 0.28 H new ATOM 0 HB ILE A 126 -3.809 -16.376 1.127 1.00 0.29 H new ATOM 0 HG12 ILE A 126 -2.060 -16.525 -0.952 1.00 0.28 H new ATOM 0 HG13 ILE A 126 -3.266 -15.464 -1.651 1.00 0.28 H new ATOM 0 HG21 ILE A 126 -2.869 -18.417 0.094 1.00 0.35 H new ATOM 0 HG22 ILE A 126 -4.612 -18.580 0.412 1.00 0.35 H new ATOM 0 HG23 ILE A 126 -4.034 -18.269 -1.242 1.00 0.35 H new ATOM 0 HD11 ILE A 126 -1.496 -14.179 -0.557 1.00 0.27 H new ATOM 0 HD12 ILE A 126 -3.052 -13.931 0.272 1.00 0.27 H new ATOM 0 HD13 ILE A 126 -1.827 -15.009 0.982 1.00 0.27 H new ATOM 1954 N ALA A 127 -6.620 -17.028 1.491 1.00 0.38 N ATOM 1955 CA ALA A 127 -7.423 -17.025 2.698 1.00 0.44 C ATOM 1956 C ALA A 127 -6.961 -18.137 3.623 1.00 0.67 C ATOM 1957 O ALA A 127 -6.456 -19.164 3.121 1.00 1.27 O ATOM 1958 CB ALA A 127 -8.897 -17.175 2.359 1.00 0.46 C ATOM 0 H ALA A 127 -6.397 -17.958 1.135 1.00 0.38 H new ATOM 0 HA ALA A 127 -7.295 -16.071 3.209 1.00 0.44 H new ATOM 0 HB1 ALA A 127 -9.484 -17.171 3.278 1.00 0.46 H new ATOM 0 HB2 ALA A 127 -9.210 -16.346 1.724 1.00 0.46 H new ATOM 0 HB3 ALA A 127 -9.055 -18.116 1.832 1.00 0.46 H new TER 1964 ALA A 127 HETATM 1965 C1 CHO A 200 6.718 -0.577 -0.454 1.00 0.35 C HETATM 1966 C2 CHO A 200 5.294 -0.727 0.082 1.00 0.40 C HETATM 1967 C3 CHO A 200 4.481 0.538 -0.205 1.00 0.45 C HETATM 1968 O3 CHO A 200 3.163 0.388 0.330 1.00 0.51 O HETATM 1969 C4 CHO A 200 5.161 1.737 0.459 1.00 0.41 C HETATM 1970 C5 CHO A 200 6.585 1.890 -0.082 1.00 0.37 C HETATM 1971 C6 CHO A 200 7.239 3.114 0.564 1.00 0.37 C HETATM 1972 C7 CHO A 200 7.360 2.886 2.071 1.00 0.33 C HETATM 1973 O7 CHO A 200 6.055 2.731 2.635 1.00 0.37 O HETATM 1974 C8 CHO A 200 8.179 1.626 2.357 1.00 0.25 C HETATM 1975 C9 CHO A 200 7.521 0.411 1.699 1.00 0.27 C HETATM 1976 C10 CHO A 200 7.409 0.628 0.187 1.00 0.31 C HETATM 1977 C11 CHO A 200 8.298 -0.868 2.020 1.00 0.25 C HETATM 1978 C12 CHO A 200 8.427 -1.077 3.530 1.00 0.23 C HETATM 1979 C13 CHO A 200 9.109 0.143 4.147 1.00 0.21 C HETATM 1980 C14 CHO A 200 8.265 1.381 3.863 1.00 0.23 C HETATM 1981 C15 CHO A 200 9.034 2.438 4.652 1.00 0.25 C HETATM 1982 C16 CHO A 200 9.407 1.694 5.939 1.00 0.24 C HETATM 1983 C17 CHO A 200 9.048 0.230 5.670 1.00 0.23 C HETATM 1984 C18 CHO A 200 10.535 0.325 3.624 1.00 0.22 C HETATM 1985 C19 CHO A 200 8.806 0.794 -0.412 1.00 0.32 C HETATM 1986 C20 CHO A 200 9.991 -0.738 6.382 1.00 0.27 C HETATM 1987 C21 CHO A 200 9.653 -2.187 6.023 1.00 0.31 C HETATM 1988 C22 CHO A 200 9.914 -0.531 7.897 1.00 0.34 C HETATM 1989 C23 CHO A 200 10.823 -1.515 8.634 1.00 0.41 C HETATM 1990 C24 CHO A 200 10.803 -1.263 10.144 1.00 0.54 C HETATM 1991 O24 CHO A 200 10.548 -0.147 10.595 1.00 0.86 O HETATM 1992 N25 CHO A 200 11.076 -2.328 10.891 1.00 0.47 N HETATM 1993 C26 CHO A 200 11.101 -2.264 12.359 1.00 0.58 C HETATM 1994 C27 CHO A 200 12.255 -1.369 12.813 1.00 1.20 C HETATM 1995 OT1 CHO A 200 13.220 -1.240 12.028 1.00 2.01 O HETATM 1996 OT2 CHO A 200 12.153 -0.828 13.935 1.00 1.99 O HETATM 0 H262 CHO A 200 10.155 -1.872 12.732 1.00 0.58 H new HETATM 0 H261 CHO A 200 11.218 -3.265 12.775 1.00 0.58 H new HETATM 0 H232 CHO A 200 10.500 -2.536 8.429 1.00 0.41 H new HETATM 0 H231 CHO A 200 11.843 -1.422 8.261 1.00 0.41 H new HETATM 0 H222 CHO A 200 10.204 0.491 8.143 1.00 0.34 H new HETATM 0 H221 CHO A 200 8.885 -0.660 8.233 1.00 0.34 H new HETATM 0 H213 CHO A 200 8.629 -2.407 6.325 1.00 0.31 H new HETATM 0 H212 CHO A 200 9.752 -2.328 4.947 1.00 0.31 H new HETATM 0 H211 CHO A 200 10.337 -2.859 6.541 1.00 0.31 H new HETATM 0 H193 CHO A 200 9.393 -0.105 -0.221 1.00 0.32 H new HETATM 0 H192 CHO A 200 8.724 0.952 -1.487 1.00 0.32 H new HETATM 0 H191 CHO A 200 9.298 1.653 0.045 1.00 0.32 H new HETATM 0 H183 CHO A 200 11.127 -0.557 3.868 1.00 0.22 H new HETATM 0 H182 CHO A 200 10.512 0.458 2.542 1.00 0.22 H new HETATM 0 H181 CHO A 200 10.983 1.203 4.088 1.00 0.22 H new HETATM 0 H162 CHO A 200 10.467 1.805 6.166 1.00 0.24 H new HETATM 0 H161 CHO A 200 8.856 2.085 6.794 1.00 0.24 H new HETATM 0 H152 CHO A 200 9.917 2.783 4.113 1.00 0.25 H new HETATM 0 H151 CHO A 200 8.422 3.316 4.855 1.00 0.25 H new HETATM 0 H122 CHO A 200 7.443 -1.223 3.975 1.00 0.23 H new HETATM 0 H121 CHO A 200 9.007 -1.977 3.737 1.00 0.23 H new HETATM 0 H112 CHO A 200 7.792 -1.725 1.574 1.00 0.25 H new HETATM 0 H111 CHO A 200 9.290 -0.815 1.572 1.00 0.25 H new HETATM 0 HOT CHO A 200 13.028 -0.487 14.214 1.00 1.99 H new HETATM 0 HO7 CHO A 200 5.954 3.338 3.398 1.00 0.37 H new HETATM 0 HO3 CHO A 200 2.642 1.198 0.148 1.00 0.51 H new HETATM 0 HN CHO A 200 11.274 -3.217 10.431 1.00 0.47 H new HETATM 0 H9 CHO A 200 6.515 0.295 2.103 1.00 0.27 H new HETATM 0 H8 CHO A 200 9.180 1.770 1.951 1.00 0.25 H new HETATM 0 H7 CHO A 200 7.861 3.746 2.515 1.00 0.33 H new HETATM 0 H62 CHO A 200 8.224 3.286 0.130 1.00 0.37 H new HETATM 0 H61 CHO A 200 6.644 4.006 0.366 1.00 0.37 H new HETATM 0 H5 CHO A 200 6.545 2.032 -1.162 1.00 0.37 H new HETATM 0 H42 CHO A 200 4.589 2.644 0.265 1.00 0.41 H new HETATM 0 H41 CHO A 200 5.185 1.600 1.540 1.00 0.41 H new HETATM 0 H3 CHO A 200 4.423 0.698 -1.282 1.00 0.45 H new HETATM 0 H22 CHO A 200 4.813 -1.589 -0.381 1.00 0.40 H new HETATM 0 H21 CHO A 200 5.320 -0.915 1.155 1.00 0.40 H new HETATM 0 H20 CHO A 200 11.009 -0.534 6.051 1.00 0.27 H new HETATM 0 H17 CHO A 200 8.072 -0.060 6.059 1.00 0.23 H new HETATM 0 H14 CHO A 200 7.217 1.338 4.159 1.00 0.23 H new HETATM 0 H12 CHO A 200 7.288 -1.483 -0.247 1.00 0.35 H new HETATM 0 H11 CHO A 200 6.694 -0.456 -1.537 1.00 0.35 H new HETATM 2039 C1 CHO A 201 -5.594 4.382 0.195 1.00 0.22 C HETATM 2040 C2 CHO A 201 -5.392 3.121 -0.646 1.00 0.26 C HETATM 2041 C3 CHO A 201 -5.826 1.877 0.132 1.00 0.29 C HETATM 2042 O3 CHO A 201 -5.581 0.715 -0.665 1.00 0.35 O HETATM 2043 C4 CHO A 201 -5.019 1.779 1.428 1.00 0.29 C HETATM 2044 C5 CHO A 201 -5.233 3.039 2.269 1.00 0.25 C HETATM 2045 C6 CHO A 201 -4.459 2.919 3.584 1.00 0.28 C HETATM 2046 C7 CHO A 201 -2.956 2.879 3.301 1.00 0.27 C HETATM 2047 O7 CHO A 201 -2.642 1.695 2.563 1.00 0.30 O HETATM 2048 C8 CHO A 201 -2.523 4.107 2.499 1.00 0.21 C HETATM 2049 C9 CHO A 201 -3.300 4.180 1.183 1.00 0.21 C HETATM 2050 C10 CHO A 201 -4.795 4.283 1.496 1.00 0.21 C HETATM 2051 C11 CHO A 201 -2.847 5.377 0.341 1.00 0.21 C HETATM 2052 C12 CHO A 201 -1.334 5.376 0.107 1.00 0.22 C HETATM 2053 C13 CHO A 201 -0.636 5.345 1.467 1.00 0.20 C HETATM 2054 C14 CHO A 201 -1.028 4.060 2.187 1.00 0.23 C HETATM 2055 C15 CHO A 201 -0.108 4.161 3.401 1.00 0.26 C HETATM 2056 C16 CHO A 201 1.233 4.407 2.701 1.00 0.27 C HETATM 2057 C17 CHO A 201 0.882 5.170 1.420 1.00 0.24 C HETATM 2058 C18 CHO A 201 -1.031 6.558 2.312 1.00 0.19 C HETATM 2059 C19 CHO A 201 -5.034 5.528 2.353 1.00 0.22 C HETATM 2060 C20 CHO A 201 1.622 6.507 1.335 1.00 0.24 C HETATM 2061 C21 CHO A 201 1.189 7.300 0.101 1.00 0.27 C HETATM 2062 C22 CHO A 201 3.134 6.273 1.334 1.00 0.28 C HETATM 2063 C23 CHO A 201 3.911 7.591 1.284 1.00 0.32 C HETATM 2064 C24 CHO A 201 5.414 7.343 1.422 1.00 0.37 C HETATM 2065 O24 CHO A 201 6.232 8.150 0.982 1.00 0.67 O HETATM 2066 N25 CHO A 201 5.739 6.215 2.051 1.00 0.31 N HETATM 2067 C26 CHO A 201 7.135 5.814 2.279 1.00 0.33 C HETATM 2068 C27 CHO A 201 7.395 5.716 3.786 1.00 0.50 C HETATM 2069 OT1 CHO A 201 8.074 6.626 4.306 1.00 1.23 O HETATM 2070 OT2 CHO A 201 6.905 4.736 4.391 1.00 1.08 O HETATM 0 H262 CHO A 201 7.332 4.854 1.801 1.00 0.33 H new HETATM 0 H261 CHO A 201 7.812 6.540 1.828 1.00 0.33 H new HETATM 0 H232 CHO A 201 3.707 8.103 0.343 1.00 0.32 H new HETATM 0 H231 CHO A 201 3.572 8.249 2.084 1.00 0.32 H new HETATM 0 H222 CHO A 201 3.417 5.718 2.228 1.00 0.28 H new HETATM 0 H221 CHO A 201 3.406 5.657 0.477 1.00 0.28 H new HETATM 0 H213 CHO A 201 1.408 6.723 -0.798 1.00 0.27 H new HETATM 0 H212 CHO A 201 0.118 7.498 0.153 1.00 0.27 H new HETATM 0 H211 CHO A 201 1.731 8.245 0.067 1.00 0.27 H new HETATM 0 H193 CHO A 201 -4.716 6.414 1.804 1.00 0.22 H new HETATM 0 H192 CHO A 201 -6.095 5.609 2.589 1.00 0.22 H new HETATM 0 H191 CHO A 201 -4.461 5.449 3.277 1.00 0.22 H new HETATM 0 H183 CHO A 201 -0.744 7.472 1.792 1.00 0.19 H new HETATM 0 H182 CHO A 201 -2.109 6.554 2.472 1.00 0.19 H new HETATM 0 H181 CHO A 201 -0.521 6.513 3.274 1.00 0.19 H new HETATM 0 H162 CHO A 201 1.907 4.986 3.333 1.00 0.27 H new HETATM 0 H161 CHO A 201 1.737 3.468 2.474 1.00 0.27 H new HETATM 0 H152 CHO A 201 -0.386 4.978 4.067 1.00 0.26 H new HETATM 0 H151 CHO A 201 -0.105 3.249 3.998 1.00 0.26 H new HETATM 0 H122 CHO A 201 -1.043 4.511 -0.489 1.00 0.22 H new HETATM 0 H121 CHO A 201 -1.036 6.263 -0.452 1.00 0.22 H new HETATM 0 H112 CHO A 201 -3.362 5.360 -0.619 1.00 0.21 H new HETATM 0 H111 CHO A 201 -3.136 6.302 0.841 1.00 0.21 H new HETATM 0 HOT CHO A 201 6.586 5.022 5.273 1.00 1.08 H new HETATM 0 HO7 CHO A 201 -1.730 1.408 2.777 1.00 0.30 H new HETATM 0 HO3 CHO A 201 -5.543 -0.076 -0.087 1.00 0.35 H new HETATM 0 HN CHO A 201 4.992 5.607 2.387 1.00 0.31 H new HETATM 0 H9 CHO A 201 -3.105 3.278 0.603 1.00 0.21 H new HETATM 0 H8 CHO A 201 -2.733 4.989 3.105 1.00 0.21 H new HETATM 0 H7 CHO A 201 -2.423 2.878 4.252 1.00 0.27 H new HETATM 0 H62 CHO A 201 -4.694 3.763 4.233 1.00 0.28 H new HETATM 0 H61 CHO A 201 -4.762 2.016 4.114 1.00 0.28 H new HETATM 0 H5 CHO A 201 -6.295 3.140 2.493 1.00 0.25 H new HETATM 0 H42 CHO A 201 -5.325 0.898 1.992 1.00 0.29 H new HETATM 0 H41 CHO A 201 -3.960 1.659 1.199 1.00 0.29 H new HETATM 0 H3 CHO A 201 -6.888 1.946 0.368 1.00 0.29 H new HETATM 0 H22 CHO A 201 -5.967 3.198 -1.569 1.00 0.26 H new HETATM 0 H21 CHO A 201 -4.343 3.031 -0.930 1.00 0.26 H new HETATM 0 H20 CHO A 201 1.363 7.100 2.212 1.00 0.24 H new HETATM 0 H17 CHO A 201 1.191 4.630 0.525 1.00 0.24 H new HETATM 0 H14 CHO A 201 -0.909 3.115 1.657 1.00 0.23 H new HETATM 0 H12 CHO A 201 -5.277 5.259 -0.369 1.00 0.22 H new HETATM 0 H11 CHO A 201 -6.653 4.513 0.419 1.00 0.22 H new