USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 653 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 LYS NZ :NH3+ -158:sc= 1.29 (180deg=1.27) USER MOD Set 1.2: A 59 MET CE :methyl -127:sc= 0 (180deg=-2.49) USER MOD Set 2.1: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 41 THR OG1 : rot -17:sc= 0.582 USER MOD Set 3.1: A 23 LYS NZ :NH3+ 159:sc= 1.2 (180deg=1.06) USER MOD Set 3.2: A 35 HIS : no HE2:sc= -0.54 X(o=0.66,f=0.54) USER MOD Single : A 25 LYS NZ :NH3+ 148:sc= 1.25 (180deg=1.05) USER MOD Single : A 29 GLN : amide:sc= -0.265 X(o=-0.26,f=-0.13) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -123:sc= 1.22 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 165:sc= -0.0657 (180deg=-0.487) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 43 HIS : no HD1:sc= -0.0721 K(o=-0.072,f=-1.7) USER MOD Single : A 46 LYS NZ :NH3+ -179:sc= 1.28 (180deg=1.2) USER MOD Single : A 48 LYS NZ :NH3+ 153:sc= 2.45 (180deg=2.31) USER MOD Single : A 50 SER OG : rot -91:sc= 1.26 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.258 USER MOD Single : A 52 CYS SG : rot 104:sc= 0.0456 USER MOD Single : A 53 GLN : amide:sc=-0.00711 K(o=-0.0071,f=-1.4) USER MOD Single : A 55 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.41) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -96:sc= 1.24 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 75 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-2.7!) USER MOD Single : A 76 THR OG1 : rot -61:sc= 1.22 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -164:sc=-0.00845 (180deg=-0.229) USER MOD Single : A 91 TYR OH : rot 150:sc= 1.29 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot -84:sc= 0.187 USER MOD ----------------------------------------------------------------- ATOM 22 N ILE A 22 2.841 -7.717 4.814 1.00 1.66 N ATOM 23 CA ILE A 22 4.276 -7.492 4.718 1.00 1.60 C ATOM 24 C ILE A 22 4.536 -6.048 4.316 1.00 1.48 C ATOM 25 O ILE A 22 4.107 -5.610 3.251 1.00 1.43 O ATOM 26 CB ILE A 22 4.936 -8.437 3.684 1.00 1.60 C ATOM 27 CG1 ILE A 22 4.702 -9.903 4.072 1.00 1.81 C ATOM 28 CG2 ILE A 22 6.429 -8.143 3.558 1.00 1.58 C ATOM 29 CD1 ILE A 22 5.448 -10.337 5.318 1.00 1.99 C ATOM 0 HA ILE A 22 4.714 -7.700 5.694 1.00 1.60 H new ATOM 0 HB ILE A 22 4.474 -8.260 2.713 1.00 1.60 H new ATOM 0 HG12 ILE A 22 3.635 -10.062 4.226 1.00 1.81 H new ATOM 0 HG13 ILE A 22 5.002 -10.541 3.241 1.00 1.81 H new ATOM 0 HG21 ILE A 22 6.872 -8.818 2.826 1.00 1.58 H new ATOM 0 HG22 ILE A 22 6.571 -7.112 3.233 1.00 1.58 H new ATOM 0 HG23 ILE A 22 6.911 -8.288 4.525 1.00 1.58 H new ATOM 0 HD11 ILE A 22 5.231 -11.385 5.526 1.00 1.99 H new ATOM 0 HD12 ILE A 22 6.520 -10.213 5.162 1.00 1.99 H new ATOM 0 HD13 ILE A 22 5.131 -9.726 6.163 1.00 1.99 H new ATOM 41 N LYS A 23 5.216 -5.311 5.171 1.00 1.47 N ATOM 42 CA LYS A 23 5.507 -3.919 4.893 1.00 1.39 C ATOM 43 C LYS A 23 6.869 -3.770 4.228 1.00 1.34 C ATOM 44 O LYS A 23 7.895 -4.146 4.792 1.00 1.48 O ATOM 45 CB LYS A 23 5.456 -3.113 6.190 1.00 1.51 C ATOM 46 CG LYS A 23 5.554 -1.609 5.987 1.00 1.98 C ATOM 47 CD LYS A 23 4.868 -0.849 7.111 1.00 2.61 C ATOM 48 CE LYS A 23 5.485 -1.159 8.467 1.00 3.07 C ATOM 49 NZ LYS A 23 6.701 -0.347 8.730 1.00 2.83 N ATOM 0 H LYS A 23 5.577 -5.652 6.062 1.00 1.47 H new ATOM 0 HA LYS A 23 4.754 -3.537 4.204 1.00 1.39 H new ATOM 0 HB2 LYS A 23 4.525 -3.339 6.710 1.00 1.51 H new ATOM 0 HB3 LYS A 23 6.270 -3.436 6.839 1.00 1.51 H new ATOM 0 HG2 LYS A 23 6.602 -1.315 5.935 1.00 1.98 H new ATOM 0 HG3 LYS A 23 5.100 -1.339 5.034 1.00 1.98 H new ATOM 0 HD2 LYS A 23 4.935 0.222 6.918 1.00 2.61 H new ATOM 0 HD3 LYS A 23 3.808 -1.104 7.128 1.00 2.61 H new ATOM 0 HE2 LYS A 23 4.750 -0.973 9.250 1.00 3.07 H new ATOM 0 HE3 LYS A 23 5.740 -2.218 8.515 1.00 3.07 H new ATOM 0 HZ1 LYS A 23 6.881 -0.314 9.754 1.00 2.83 H new ATOM 0 HZ2 LYS A 23 7.516 -0.777 8.249 1.00 2.83 H new ATOM 0 HZ3 LYS A 23 6.558 0.619 8.372 1.00 2.83 H new ATOM 63 N LEU A 24 6.861 -3.241 3.015 1.00 1.21 N ATOM 64 CA LEU A 24 8.085 -3.016 2.259 1.00 1.21 C ATOM 65 C LEU A 24 8.432 -1.534 2.274 1.00 1.21 C ATOM 66 O LEU A 24 7.542 -0.688 2.377 1.00 1.15 O ATOM 67 CB LEU A 24 7.928 -3.501 0.817 1.00 1.15 C ATOM 68 CG LEU A 24 7.625 -4.992 0.656 1.00 1.18 C ATOM 69 CD1 LEU A 24 7.423 -5.338 -0.812 1.00 1.15 C ATOM 70 CD2 LEU A 24 8.739 -5.834 1.258 1.00 1.36 C ATOM 0 H LEU A 24 6.011 -2.956 2.528 1.00 1.21 H new ATOM 0 HA LEU A 24 8.891 -3.582 2.725 1.00 1.21 H new ATOM 0 HB2 LEU A 24 7.127 -2.932 0.345 1.00 1.15 H new ATOM 0 HB3 LEU A 24 8.845 -3.273 0.273 1.00 1.15 H new ATOM 0 HG LEU A 24 6.703 -5.216 1.192 1.00 1.18 H new ATOM 0 HD11 LEU A 24 7.208 -6.402 -0.909 1.00 1.15 H new ATOM 0 HD12 LEU A 24 6.588 -4.762 -1.210 1.00 1.15 H new ATOM 0 HD13 LEU A 24 8.328 -5.098 -1.370 1.00 1.15 H new ATOM 0 HD21 LEU A 24 8.504 -6.891 1.133 1.00 1.36 H new ATOM 0 HD22 LEU A 24 9.679 -5.609 0.753 1.00 1.36 H new ATOM 0 HD23 LEU A 24 8.834 -5.606 2.320 1.00 1.36 H new ATOM 82 N LYS A 25 9.715 -1.221 2.191 1.00 1.36 N ATOM 83 CA LYS A 25 10.157 0.163 2.212 1.00 1.42 C ATOM 84 C LYS A 25 10.772 0.576 0.879 1.00 1.43 C ATOM 85 O LYS A 25 11.825 0.073 0.482 1.00 1.55 O ATOM 86 CB LYS A 25 11.172 0.378 3.338 1.00 1.62 C ATOM 87 CG LYS A 25 10.626 0.047 4.717 1.00 1.51 C ATOM 88 CD LYS A 25 11.551 0.535 5.822 1.00 1.67 C ATOM 89 CE LYS A 25 11.547 2.053 5.927 1.00 2.04 C ATOM 90 NZ LYS A 25 12.396 2.537 7.046 1.00 2.70 N ATOM 0 H LYS A 25 10.467 -1.905 2.109 1.00 1.36 H new ATOM 0 HA LYS A 25 9.280 0.786 2.388 1.00 1.42 H new ATOM 0 HB2 LYS A 25 12.051 -0.237 3.147 1.00 1.62 H new ATOM 0 HB3 LYS A 25 11.502 1.417 3.326 1.00 1.62 H new ATOM 0 HG2 LYS A 25 9.643 0.502 4.838 1.00 1.51 H new ATOM 0 HG3 LYS A 25 10.491 -1.031 4.805 1.00 1.51 H new ATOM 0 HD2 LYS A 25 11.241 0.103 6.774 1.00 1.67 H new ATOM 0 HD3 LYS A 25 12.565 0.186 5.629 1.00 1.67 H new ATOM 0 HE2 LYS A 25 11.903 2.482 4.990 1.00 2.04 H new ATOM 0 HE3 LYS A 25 10.525 2.404 6.070 1.00 2.04 H new ATOM 0 HZ1 LYS A 25 12.808 3.458 6.796 1.00 2.70 H new ATOM 0 HZ2 LYS A 25 11.816 2.639 7.903 1.00 2.70 H new ATOM 0 HZ3 LYS A 25 13.159 1.853 7.224 1.00 2.70 H new ATOM 104 N VAL A 26 10.101 1.484 0.185 1.00 1.35 N ATOM 105 CA VAL A 26 10.589 1.985 -1.090 1.00 1.41 C ATOM 106 C VAL A 26 11.332 3.291 -0.863 1.00 1.60 C ATOM 107 O VAL A 26 10.758 4.262 -0.364 1.00 1.62 O ATOM 108 CB VAL A 26 9.444 2.216 -2.097 1.00 1.32 C ATOM 109 CG1 VAL A 26 9.988 2.713 -3.430 1.00 1.46 C ATOM 110 CG2 VAL A 26 8.638 0.941 -2.290 1.00 1.13 C ATOM 0 H VAL A 26 9.214 1.889 0.485 1.00 1.35 H new ATOM 0 HA VAL A 26 11.255 1.233 -1.512 1.00 1.41 H new ATOM 0 HB VAL A 26 8.784 2.983 -1.692 1.00 1.32 H new ATOM 0 HG11 VAL A 26 9.162 2.869 -4.124 1.00 1.46 H new ATOM 0 HG12 VAL A 26 10.518 3.654 -3.279 1.00 1.46 H new ATOM 0 HG13 VAL A 26 10.674 1.973 -3.842 1.00 1.46 H new ATOM 0 HG21 VAL A 26 7.835 1.123 -3.004 1.00 1.13 H new ATOM 0 HG22 VAL A 26 9.289 0.153 -2.669 1.00 1.13 H new ATOM 0 HG23 VAL A 26 8.212 0.632 -1.335 1.00 1.13 H new ATOM 120 N ILE A 27 12.608 3.314 -1.213 1.00 1.78 N ATOM 121 CA ILE A 27 13.417 4.504 -1.019 1.00 1.99 C ATOM 122 C ILE A 27 13.579 5.288 -2.315 1.00 2.13 C ATOM 123 O ILE A 27 14.092 4.767 -3.308 1.00 2.21 O ATOM 124 CB ILE A 27 14.816 4.152 -0.467 1.00 2.15 C ATOM 125 CG1 ILE A 27 14.703 3.211 0.740 1.00 2.07 C ATOM 126 CG2 ILE A 27 15.576 5.420 -0.096 1.00 2.39 C ATOM 127 CD1 ILE A 27 14.016 3.821 1.942 1.00 2.07 C ATOM 0 H ILE A 27 13.103 2.526 -1.631 1.00 1.78 H new ATOM 0 HA ILE A 27 12.890 5.122 -0.292 1.00 1.99 H new ATOM 0 HB ILE A 27 15.374 3.634 -1.247 1.00 2.15 H new ATOM 0 HG12 ILE A 27 14.157 2.317 0.439 1.00 2.07 H new ATOM 0 HG13 ILE A 27 15.703 2.891 1.031 1.00 2.07 H new ATOM 0 HG21 ILE A 27 16.560 5.154 0.291 1.00 2.39 H new ATOM 0 HG22 ILE A 27 15.691 6.047 -0.980 1.00 2.39 H new ATOM 0 HG23 ILE A 27 15.021 5.967 0.667 1.00 2.39 H new ATOM 0 HD11 ILE A 27 13.978 3.090 2.749 1.00 2.07 H new ATOM 0 HD12 ILE A 27 14.572 4.698 2.273 1.00 2.07 H new ATOM 0 HD13 ILE A 27 13.002 4.115 1.671 1.00 2.07 H new ATOM 139 N GLY A 28 13.130 6.536 -2.300 1.00 2.21 N ATOM 140 CA GLY A 28 13.257 7.391 -3.463 1.00 2.40 C ATOM 141 C GLY A 28 14.597 8.099 -3.481 1.00 2.63 C ATOM 142 O GLY A 28 15.345 8.039 -2.501 1.00 2.64 O ATOM 0 H GLY A 28 12.677 6.973 -1.497 1.00 2.21 H new ATOM 0 HA2 GLY A 28 13.146 6.795 -4.369 1.00 2.40 H new ATOM 0 HA3 GLY A 28 12.454 8.128 -3.465 1.00 2.40 H new ATOM 146 N GLN A 29 14.910 8.766 -4.583 1.00 2.84 N ATOM 147 CA GLN A 29 16.179 9.476 -4.709 1.00 3.07 C ATOM 148 C GLN A 29 16.213 10.694 -3.793 1.00 3.11 C ATOM 149 O GLN A 29 17.279 11.170 -3.408 1.00 3.26 O ATOM 150 CB GLN A 29 16.412 9.909 -6.158 1.00 3.28 C ATOM 151 CG GLN A 29 17.849 10.311 -6.452 1.00 3.53 C ATOM 152 CD GLN A 29 18.814 9.148 -6.335 1.00 3.59 C ATOM 153 OE1 GLN A 29 19.005 8.391 -7.284 1.00 3.73 O ATOM 154 NE2 GLN A 29 19.431 8.997 -5.174 1.00 3.52 N ATOM 0 H GLN A 29 14.306 8.832 -5.402 1.00 2.84 H new ATOM 0 HA GLN A 29 16.975 8.794 -4.411 1.00 3.07 H new ATOM 0 HB2 GLN A 29 16.129 9.092 -6.822 1.00 3.28 H new ATOM 0 HB3 GLN A 29 15.755 10.748 -6.387 1.00 3.28 H new ATOM 0 HG2 GLN A 29 17.908 10.727 -7.458 1.00 3.53 H new ATOM 0 HG3 GLN A 29 18.150 11.099 -5.762 1.00 3.53 H new ATOM 0 HE21 GLN A 29 19.246 9.647 -4.410 1.00 3.52 H new ATOM 0 HE22 GLN A 29 20.092 8.231 -5.043 1.00 3.52 H new ATOM 163 N ASP A 30 15.037 11.179 -3.430 1.00 3.01 N ATOM 164 CA ASP A 30 14.914 12.341 -2.559 1.00 3.07 C ATOM 165 C ASP A 30 14.970 11.931 -1.088 1.00 2.98 C ATOM 166 O ASP A 30 14.610 12.710 -0.206 1.00 3.01 O ATOM 167 CB ASP A 30 13.604 13.075 -2.846 1.00 3.06 C ATOM 168 CG ASP A 30 12.387 12.289 -2.398 1.00 2.89 C ATOM 169 OD1 ASP A 30 12.193 11.153 -2.881 1.00 2.77 O ATOM 170 OD2 ASP A 30 11.619 12.805 -1.563 1.00 2.90 O ATOM 0 H ASP A 30 14.145 10.783 -3.727 1.00 3.01 H new ATOM 0 HA ASP A 30 15.752 13.008 -2.761 1.00 3.07 H new ATOM 0 HB2 ASP A 30 13.615 14.041 -2.341 1.00 3.06 H new ATOM 0 HB3 ASP A 30 13.530 13.275 -3.915 1.00 3.06 H new ATOM 175 N SER A 31 15.425 10.704 -0.839 1.00 2.89 N ATOM 176 CA SER A 31 15.546 10.171 0.516 1.00 2.82 C ATOM 177 C SER A 31 14.179 10.012 1.177 1.00 2.62 C ATOM 178 O SER A 31 13.972 10.417 2.324 1.00 2.65 O ATOM 179 CB SER A 31 16.449 11.067 1.366 1.00 3.05 C ATOM 180 OG SER A 31 17.704 11.258 0.735 1.00 3.25 O ATOM 0 H SER A 31 15.719 10.054 -1.568 1.00 2.89 H new ATOM 0 HA SER A 31 15.999 9.182 0.445 1.00 2.82 H new ATOM 0 HB2 SER A 31 15.966 12.031 1.526 1.00 3.05 H new ATOM 0 HB3 SER A 31 16.595 10.617 2.348 1.00 3.05 H new ATOM 0 HG SER A 31 18.266 11.835 1.293 1.00 3.25 H new ATOM 186 N SER A 32 13.245 9.421 0.448 1.00 2.47 N ATOM 187 CA SER A 32 11.910 9.192 0.967 1.00 2.32 C ATOM 188 C SER A 32 11.693 7.698 1.159 1.00 2.11 C ATOM 189 O SER A 32 12.080 6.902 0.306 1.00 2.13 O ATOM 190 CB SER A 32 10.863 9.764 0.008 1.00 2.33 C ATOM 191 OG SER A 32 11.122 9.360 -1.329 1.00 2.38 O ATOM 0 H SER A 32 13.390 9.091 -0.506 1.00 2.47 H new ATOM 0 HA SER A 32 11.805 9.696 1.928 1.00 2.32 H new ATOM 0 HB2 SER A 32 9.870 9.429 0.307 1.00 2.33 H new ATOM 0 HB3 SER A 32 10.864 10.852 0.070 1.00 2.33 H new ATOM 0 HG SER A 32 11.213 10.152 -1.898 1.00 2.38 H new ATOM 197 N GLU A 33 11.108 7.315 2.285 1.00 2.01 N ATOM 198 CA GLU A 33 10.847 5.912 2.560 1.00 1.87 C ATOM 199 C GLU A 33 9.346 5.652 2.640 1.00 1.79 C ATOM 200 O GLU A 33 8.723 5.849 3.684 1.00 2.00 O ATOM 201 CB GLU A 33 11.542 5.462 3.852 1.00 1.98 C ATOM 202 CG GLU A 33 11.459 6.465 4.994 1.00 2.57 C ATOM 203 CD GLU A 33 11.627 5.807 6.350 1.00 2.75 C ATOM 204 OE1 GLU A 33 12.691 5.204 6.598 1.00 2.98 O ATOM 205 OE2 GLU A 33 10.700 5.899 7.182 1.00 2.99 O ATOM 0 H GLU A 33 10.806 7.955 3.020 1.00 2.01 H new ATOM 0 HA GLU A 33 11.257 5.327 1.737 1.00 1.87 H new ATOM 0 HB2 GLU A 33 11.100 4.521 4.179 1.00 1.98 H new ATOM 0 HB3 GLU A 33 12.592 5.263 3.635 1.00 1.98 H new ATOM 0 HG2 GLU A 33 12.229 7.225 4.864 1.00 2.57 H new ATOM 0 HG3 GLU A 33 10.497 6.976 4.957 1.00 2.57 H new ATOM 212 N ILE A 34 8.767 5.230 1.528 1.00 1.58 N ATOM 213 CA ILE A 34 7.340 4.948 1.475 1.00 1.50 C ATOM 214 C ILE A 34 7.079 3.485 1.812 1.00 1.38 C ATOM 215 O ILE A 34 7.816 2.595 1.382 1.00 1.31 O ATOM 216 CB ILE A 34 6.744 5.296 0.094 1.00 1.46 C ATOM 217 CG1 ILE A 34 7.088 6.745 -0.267 1.00 1.71 C ATOM 218 CG2 ILE A 34 5.236 5.087 0.093 1.00 1.41 C ATOM 219 CD1 ILE A 34 6.470 7.224 -1.564 1.00 1.81 C ATOM 0 H ILE A 34 9.262 5.075 0.650 1.00 1.58 H new ATOM 0 HA ILE A 34 6.848 5.578 2.216 1.00 1.50 H new ATOM 0 HB ILE A 34 7.176 4.633 -0.655 1.00 1.46 H new ATOM 0 HG12 ILE A 34 6.759 7.397 0.542 1.00 1.71 H new ATOM 0 HG13 ILE A 34 8.171 6.843 -0.335 1.00 1.71 H new ATOM 0 HG21 ILE A 34 4.835 5.338 -0.889 1.00 1.41 H new ATOM 0 HG22 ILE A 34 5.013 4.045 0.321 1.00 1.41 H new ATOM 0 HG23 ILE A 34 4.779 5.729 0.846 1.00 1.41 H new ATOM 0 HD11 ILE A 34 6.762 8.258 -1.746 1.00 1.81 H new ATOM 0 HD12 ILE A 34 6.818 6.598 -2.386 1.00 1.81 H new ATOM 0 HD13 ILE A 34 5.384 7.161 -1.495 1.00 1.81 H new ATOM 231 N HIS A 35 6.037 3.249 2.596 1.00 1.41 N ATOM 232 CA HIS A 35 5.685 1.903 3.025 1.00 1.33 C ATOM 233 C HIS A 35 4.684 1.252 2.079 1.00 1.23 C ATOM 234 O HIS A 35 3.748 1.895 1.605 1.00 1.29 O ATOM 235 CB HIS A 35 5.114 1.937 4.443 1.00 1.46 C ATOM 236 CG HIS A 35 6.133 2.275 5.489 1.00 1.58 C ATOM 237 ND1 HIS A 35 5.987 3.289 6.409 1.00 1.91 N ATOM 238 CD2 HIS A 35 7.342 1.713 5.740 1.00 1.83 C ATOM 239 CE1 HIS A 35 7.085 3.310 7.175 1.00 2.04 C ATOM 240 NE2 HIS A 35 7.939 2.372 6.807 1.00 2.02 N ATOM 0 H HIS A 35 5.417 3.977 2.950 1.00 1.41 H new ATOM 0 HA HIS A 35 6.595 1.304 3.011 1.00 1.33 H new ATOM 0 HB2 HIS A 35 4.307 2.668 4.484 1.00 1.46 H new ATOM 0 HB3 HIS A 35 4.676 0.966 4.674 1.00 1.46 H new ATOM 0 HD1 HIS A 35 5.185 3.913 6.492 1.00 1.91 H new ATOM 0 HD2 HIS A 35 7.772 0.885 5.196 1.00 1.83 H new ATOM 0 HE1 HIS A 35 7.251 4.003 7.987 1.00 2.04 H new ATOM 248 N PHE A 36 4.900 -0.025 1.801 1.00 1.15 N ATOM 249 CA PHE A 36 4.022 -0.791 0.925 1.00 1.06 C ATOM 250 C PHE A 36 3.552 -2.054 1.634 1.00 1.12 C ATOM 251 O PHE A 36 4.334 -2.982 1.827 1.00 1.18 O ATOM 252 CB PHE A 36 4.762 -1.201 -0.354 1.00 0.98 C ATOM 253 CG PHE A 36 4.888 -0.123 -1.392 1.00 0.94 C ATOM 254 CD1 PHE A 36 5.356 1.137 -1.061 1.00 1.25 C ATOM 255 CD2 PHE A 36 4.560 -0.386 -2.713 1.00 1.06 C ATOM 256 CE1 PHE A 36 5.489 2.116 -2.025 1.00 1.53 C ATOM 257 CE2 PHE A 36 4.689 0.587 -3.679 1.00 1.30 C ATOM 258 CZ PHE A 36 5.156 1.838 -3.334 1.00 1.49 C ATOM 0 H PHE A 36 5.685 -0.559 2.174 1.00 1.15 H new ATOM 0 HA PHE A 36 3.169 -0.163 0.669 1.00 1.06 H new ATOM 0 HB2 PHE A 36 5.761 -1.541 -0.083 1.00 0.98 H new ATOM 0 HB3 PHE A 36 4.245 -2.052 -0.797 1.00 0.98 H new ATOM 0 HD1 PHE A 36 5.620 1.357 -0.037 1.00 1.25 H new ATOM 0 HD2 PHE A 36 4.199 -1.366 -2.988 1.00 1.06 H new ATOM 0 HE1 PHE A 36 5.853 3.096 -1.755 1.00 1.53 H new ATOM 0 HE2 PHE A 36 4.425 0.371 -4.704 1.00 1.30 H new ATOM 0 HZ PHE A 36 5.261 2.601 -4.091 1.00 1.49 H new ATOM 268 N LYS A 37 2.295 -2.086 2.048 1.00 1.21 N ATOM 269 CA LYS A 37 1.767 -3.270 2.721 1.00 1.34 C ATOM 270 C LYS A 37 1.275 -4.298 1.707 1.00 1.28 C ATOM 271 O LYS A 37 0.151 -4.219 1.213 1.00 1.35 O ATOM 272 CB LYS A 37 0.646 -2.899 3.685 1.00 1.57 C ATOM 273 CG LYS A 37 1.121 -2.756 5.124 1.00 1.77 C ATOM 274 CD LYS A 37 -0.021 -2.425 6.068 1.00 2.07 C ATOM 275 CE LYS A 37 -0.622 -1.063 5.773 1.00 2.14 C ATOM 276 NZ LYS A 37 -1.376 -0.529 6.939 1.00 2.40 N ATOM 0 H LYS A 37 1.629 -1.322 1.934 1.00 1.21 H new ATOM 0 HA LYS A 37 2.580 -3.713 3.296 1.00 1.34 H new ATOM 0 HB2 LYS A 37 0.193 -1.961 3.363 1.00 1.57 H new ATOM 0 HB3 LYS A 37 -0.132 -3.661 3.639 1.00 1.57 H new ATOM 0 HG2 LYS A 37 1.598 -3.683 5.442 1.00 1.77 H new ATOM 0 HG3 LYS A 37 1.877 -1.973 5.180 1.00 1.77 H new ATOM 0 HD2 LYS A 37 -0.794 -3.189 5.984 1.00 2.07 H new ATOM 0 HD3 LYS A 37 0.340 -2.448 7.096 1.00 2.07 H new ATOM 0 HE2 LYS A 37 0.171 -0.366 5.503 1.00 2.14 H new ATOM 0 HE3 LYS A 37 -1.287 -1.138 4.913 1.00 2.14 H new ATOM 0 HZ1 LYS A 37 -1.772 0.402 6.699 1.00 2.40 H new ATOM 0 HZ2 LYS A 37 -2.149 -1.182 7.181 1.00 2.40 H new ATOM 0 HZ3 LYS A 37 -0.735 -0.434 7.753 1.00 2.40 H new ATOM 290 N VAL A 38 2.128 -5.265 1.408 1.00 1.24 N ATOM 291 CA VAL A 38 1.811 -6.315 0.449 1.00 1.25 C ATOM 292 C VAL A 38 1.545 -7.637 1.162 1.00 1.39 C ATOM 293 O VAL A 38 1.750 -7.755 2.367 1.00 1.48 O ATOM 294 CB VAL A 38 2.952 -6.514 -0.576 1.00 1.19 C ATOM 295 CG1 VAL A 38 3.247 -5.216 -1.312 1.00 1.57 C ATOM 296 CG2 VAL A 38 4.210 -7.046 0.103 1.00 1.27 C ATOM 0 H VAL A 38 3.057 -5.345 1.821 1.00 1.24 H new ATOM 0 HA VAL A 38 0.914 -5.999 -0.083 1.00 1.25 H new ATOM 0 HB VAL A 38 2.624 -7.254 -1.305 1.00 1.19 H new ATOM 0 HG11 VAL A 38 4.053 -5.379 -2.028 1.00 1.57 H new ATOM 0 HG12 VAL A 38 2.353 -4.886 -1.841 1.00 1.57 H new ATOM 0 HG13 VAL A 38 3.547 -4.452 -0.595 1.00 1.57 H new ATOM 0 HG21 VAL A 38 4.997 -7.177 -0.640 1.00 1.27 H new ATOM 0 HG22 VAL A 38 4.542 -6.337 0.862 1.00 1.27 H new ATOM 0 HG23 VAL A 38 3.992 -8.005 0.573 1.00 1.27 H new ATOM 306 N LYS A 39 1.072 -8.623 0.420 1.00 1.43 N ATOM 307 CA LYS A 39 0.793 -9.932 0.982 1.00 1.60 C ATOM 308 C LYS A 39 1.483 -10.995 0.146 1.00 1.60 C ATOM 309 O LYS A 39 1.530 -10.885 -1.080 1.00 1.49 O ATOM 310 CB LYS A 39 -0.713 -10.197 1.016 1.00 1.69 C ATOM 311 CG LYS A 39 -1.089 -11.506 1.692 1.00 2.00 C ATOM 312 CD LYS A 39 -2.486 -11.956 1.303 1.00 2.35 C ATOM 313 CE LYS A 39 -2.829 -13.301 1.918 1.00 2.74 C ATOM 314 NZ LYS A 39 -4.122 -13.827 1.410 1.00 3.20 N ATOM 0 H LYS A 39 0.873 -8.541 -0.577 1.00 1.43 H new ATOM 0 HA LYS A 39 1.170 -9.964 2.004 1.00 1.60 H new ATOM 0 HB2 LYS A 39 -1.206 -9.375 1.536 1.00 1.69 H new ATOM 0 HB3 LYS A 39 -1.095 -10.203 -0.005 1.00 1.69 H new ATOM 0 HG2 LYS A 39 -0.369 -12.277 1.419 1.00 2.00 H new ATOM 0 HG3 LYS A 39 -1.033 -11.386 2.774 1.00 2.00 H new ATOM 0 HD2 LYS A 39 -3.213 -11.211 1.627 1.00 2.35 H new ATOM 0 HD3 LYS A 39 -2.559 -12.022 0.217 1.00 2.35 H new ATOM 0 HE2 LYS A 39 -2.035 -14.014 1.698 1.00 2.74 H new ATOM 0 HE3 LYS A 39 -2.878 -13.203 3.002 1.00 2.74 H new ATOM 0 HZ1 LYS A 39 -4.321 -14.746 1.853 1.00 3.20 H new ATOM 0 HZ2 LYS A 39 -4.884 -13.158 1.642 1.00 3.20 H new ATOM 0 HZ3 LYS A 39 -4.067 -13.945 0.378 1.00 3.20 H new ATOM 328 N MET A 40 2.026 -12.016 0.793 1.00 1.76 N ATOM 329 CA MET A 40 2.699 -13.078 0.067 1.00 1.82 C ATOM 330 C MET A 40 1.667 -14.016 -0.550 1.00 1.89 C ATOM 331 O MET A 40 1.302 -15.041 0.031 1.00 2.06 O ATOM 332 CB MET A 40 3.652 -13.849 0.981 1.00 2.01 C ATOM 333 CG MET A 40 4.405 -14.964 0.273 1.00 1.99 C ATOM 334 SD MET A 40 5.829 -15.547 1.210 1.00 2.53 S ATOM 335 CE MET A 40 5.110 -15.759 2.838 1.00 3.01 C ATOM 0 H MET A 40 2.014 -12.130 1.807 1.00 1.76 H new ATOM 0 HA MET A 40 3.294 -12.632 -0.730 1.00 1.82 H new ATOM 0 HB2 MET A 40 4.371 -13.153 1.412 1.00 2.01 H new ATOM 0 HB3 MET A 40 3.084 -14.274 1.809 1.00 2.01 H new ATOM 0 HG2 MET A 40 3.727 -15.798 0.094 1.00 1.99 H new ATOM 0 HG3 MET A 40 4.738 -14.609 -0.703 1.00 1.99 H new ATOM 0 HE1 MET A 40 5.779 -16.357 3.456 1.00 3.01 H new ATOM 0 HE2 MET A 40 4.964 -14.783 3.301 1.00 3.01 H new ATOM 0 HE3 MET A 40 4.149 -16.266 2.748 1.00 3.01 H new ATOM 345 N THR A 41 1.197 -13.632 -1.724 1.00 1.77 N ATOM 346 CA THR A 41 0.207 -14.382 -2.485 1.00 1.85 C ATOM 347 C THR A 41 0.197 -13.848 -3.911 1.00 1.77 C ATOM 348 O THR A 41 0.321 -14.599 -4.881 1.00 1.92 O ATOM 349 CB THR A 41 -1.217 -14.238 -1.889 1.00 1.99 C ATOM 350 OG1 THR A 41 -1.229 -14.612 -0.504 1.00 2.21 O ATOM 351 CG2 THR A 41 -2.212 -15.099 -2.653 1.00 2.21 C ATOM 0 H THR A 41 1.497 -12.774 -2.186 1.00 1.77 H new ATOM 0 HA THR A 41 0.477 -15.437 -2.452 1.00 1.85 H new ATOM 0 HB THR A 41 -1.509 -13.192 -1.979 1.00 1.99 H new ATOM 0 HG1 THR A 41 -0.426 -15.135 -0.299 1.00 2.21 H new ATOM 0 HG21 THR A 41 -3.204 -14.982 -2.217 1.00 2.21 H new ATOM 0 HG22 THR A 41 -2.235 -14.788 -3.697 1.00 2.21 H new ATOM 0 HG23 THR A 41 -1.910 -16.145 -2.592 1.00 2.21 H new ATOM 359 N THR A 42 0.066 -12.531 -4.012 1.00 1.62 N ATOM 360 CA THR A 42 0.055 -11.840 -5.283 1.00 1.60 C ATOM 361 C THR A 42 1.478 -11.674 -5.808 1.00 1.48 C ATOM 362 O THR A 42 2.430 -11.573 -5.028 1.00 1.35 O ATOM 363 CB THR A 42 -0.602 -10.457 -5.130 1.00 1.58 C ATOM 364 OG1 THR A 42 -0.761 -10.146 -3.737 1.00 1.63 O ATOM 365 CG2 THR A 42 -1.957 -10.420 -5.818 1.00 1.75 C ATOM 0 H THR A 42 -0.036 -11.914 -3.206 1.00 1.62 H new ATOM 0 HA THR A 42 -0.520 -12.434 -5.993 1.00 1.60 H new ATOM 0 HB THR A 42 0.045 -9.717 -5.600 1.00 1.58 H new ATOM 0 HG1 THR A 42 -1.178 -9.264 -3.644 1.00 1.63 H new ATOM 0 HG21 THR A 42 -2.401 -9.432 -5.695 1.00 1.75 H new ATOM 0 HG22 THR A 42 -1.832 -10.632 -6.880 1.00 1.75 H new ATOM 0 HG23 THR A 42 -2.612 -11.169 -5.373 1.00 1.75 H new ATOM 373 N HIS A 43 1.621 -11.677 -7.126 1.00 1.61 N ATOM 374 CA HIS A 43 2.928 -11.519 -7.754 1.00 1.65 C ATOM 375 C HIS A 43 3.473 -10.119 -7.512 1.00 1.48 C ATOM 376 O HIS A 43 2.714 -9.187 -7.234 1.00 1.33 O ATOM 377 CB HIS A 43 2.832 -11.763 -9.263 1.00 1.90 C ATOM 378 CG HIS A 43 2.885 -13.202 -9.660 1.00 1.95 C ATOM 379 ND1 HIS A 43 3.651 -13.678 -10.700 1.00 2.43 N ATOM 380 CD2 HIS A 43 2.238 -14.279 -9.148 1.00 2.01 C ATOM 381 CE1 HIS A 43 3.450 -14.998 -10.790 1.00 2.36 C ATOM 382 NE2 HIS A 43 2.600 -15.412 -9.870 1.00 2.09 N ATOM 0 H HIS A 43 0.848 -11.787 -7.783 1.00 1.61 H new ATOM 0 HA HIS A 43 3.602 -12.251 -7.310 1.00 1.65 H new ATOM 0 HB2 HIS A 43 1.901 -11.332 -9.630 1.00 1.90 H new ATOM 0 HB3 HIS A 43 3.646 -11.232 -9.757 1.00 1.90 H new ATOM 0 HD2 HIS A 43 1.552 -14.260 -8.314 1.00 2.01 H new ATOM 0 HE1 HIS A 43 3.921 -15.640 -11.520 1.00 2.36 H new ATOM 0 HE2 HIS A 43 2.275 -16.367 -9.719 1.00 2.09 H new ATOM 390 N LEU A 44 4.786 -9.962 -7.640 1.00 1.56 N ATOM 391 CA LEU A 44 5.417 -8.664 -7.449 1.00 1.47 C ATOM 392 C LEU A 44 5.027 -7.730 -8.589 1.00 1.45 C ATOM 393 O LEU A 44 5.253 -6.521 -8.530 1.00 1.45 O ATOM 394 CB LEU A 44 6.935 -8.809 -7.353 1.00 1.65 C ATOM 395 CG LEU A 44 7.439 -9.387 -6.028 1.00 1.77 C ATOM 396 CD1 LEU A 44 8.900 -9.791 -6.139 1.00 1.89 C ATOM 397 CD2 LEU A 44 7.254 -8.380 -4.905 1.00 1.80 C ATOM 0 H LEU A 44 5.431 -10.716 -7.875 1.00 1.56 H new ATOM 0 HA LEU A 44 5.067 -8.234 -6.510 1.00 1.47 H new ATOM 0 HB2 LEU A 44 7.278 -9.448 -8.167 1.00 1.65 H new ATOM 0 HB3 LEU A 44 7.390 -7.830 -7.504 1.00 1.65 H new ATOM 0 HG LEU A 44 6.853 -10.277 -5.799 1.00 1.77 H new ATOM 0 HD11 LEU A 44 9.238 -10.199 -5.187 1.00 1.89 H new ATOM 0 HD12 LEU A 44 9.011 -10.546 -6.917 1.00 1.89 H new ATOM 0 HD13 LEU A 44 9.501 -8.918 -6.393 1.00 1.89 H new ATOM 0 HD21 LEU A 44 7.617 -8.807 -3.970 1.00 1.80 H new ATOM 0 HD22 LEU A 44 7.815 -7.474 -5.133 1.00 1.80 H new ATOM 0 HD23 LEU A 44 6.196 -8.136 -4.806 1.00 1.80 H new ATOM 409 N LYS A 45 4.428 -8.317 -9.623 1.00 1.48 N ATOM 410 CA LYS A 45 3.942 -7.577 -10.778 1.00 1.52 C ATOM 411 C LYS A 45 2.921 -6.543 -10.318 1.00 1.41 C ATOM 412 O LYS A 45 2.863 -5.430 -10.841 1.00 1.43 O ATOM 413 CB LYS A 45 3.313 -8.555 -11.790 1.00 1.63 C ATOM 414 CG LYS A 45 2.126 -7.995 -12.567 1.00 1.89 C ATOM 415 CD LYS A 45 2.556 -7.319 -13.856 1.00 1.77 C ATOM 416 CE LYS A 45 2.260 -8.190 -15.067 1.00 2.18 C ATOM 417 NZ LYS A 45 2.797 -7.600 -16.320 1.00 2.44 N ATOM 0 H LYS A 45 4.267 -9.323 -9.680 1.00 1.48 H new ATOM 0 HA LYS A 45 4.769 -7.061 -11.266 1.00 1.52 H new ATOM 0 HB2 LYS A 45 4.080 -8.865 -12.500 1.00 1.63 H new ATOM 0 HB3 LYS A 45 2.991 -9.450 -11.257 1.00 1.63 H new ATOM 0 HG2 LYS A 45 1.430 -8.802 -12.796 1.00 1.89 H new ATOM 0 HG3 LYS A 45 1.590 -7.279 -11.944 1.00 1.89 H new ATOM 0 HD2 LYS A 45 2.039 -6.365 -13.958 1.00 1.77 H new ATOM 0 HD3 LYS A 45 3.623 -7.101 -13.815 1.00 1.77 H new ATOM 0 HE2 LYS A 45 2.693 -9.179 -14.917 1.00 2.18 H new ATOM 0 HE3 LYS A 45 1.183 -8.325 -15.162 1.00 2.18 H new ATOM 0 HZ1 LYS A 45 2.283 -7.990 -17.136 1.00 2.44 H new ATOM 0 HZ2 LYS A 45 2.677 -6.567 -16.297 1.00 2.44 H new ATOM 0 HZ3 LYS A 45 3.808 -7.829 -16.406 1.00 2.44 H new ATOM 431 N LYS A 46 2.148 -6.925 -9.303 1.00 1.33 N ATOM 432 CA LYS A 46 1.117 -6.068 -8.737 1.00 1.28 C ATOM 433 C LYS A 46 1.720 -4.781 -8.188 1.00 1.20 C ATOM 434 O LYS A 46 1.190 -3.695 -8.408 1.00 1.20 O ATOM 435 CB LYS A 46 0.364 -6.808 -7.625 1.00 1.31 C ATOM 436 CG LYS A 46 -0.788 -6.009 -7.036 1.00 1.33 C ATOM 437 CD LYS A 46 -1.842 -5.718 -8.088 1.00 1.76 C ATOM 438 CE LYS A 46 -2.859 -4.700 -7.612 1.00 1.82 C ATOM 439 NZ LYS A 46 -3.771 -4.297 -8.711 1.00 2.08 N ATOM 0 H LYS A 46 2.221 -7.837 -8.853 1.00 1.33 H new ATOM 0 HA LYS A 46 0.417 -5.809 -9.532 1.00 1.28 H new ATOM 0 HB2 LYS A 46 -0.021 -7.748 -8.021 1.00 1.31 H new ATOM 0 HB3 LYS A 46 1.064 -7.061 -6.829 1.00 1.31 H new ATOM 0 HG2 LYS A 46 -1.236 -6.564 -6.211 1.00 1.33 H new ATOM 0 HG3 LYS A 46 -0.412 -5.073 -6.624 1.00 1.33 H new ATOM 0 HD2 LYS A 46 -1.358 -5.350 -8.993 1.00 1.76 H new ATOM 0 HD3 LYS A 46 -2.353 -6.643 -8.354 1.00 1.76 H new ATOM 0 HE2 LYS A 46 -3.439 -5.119 -6.790 1.00 1.82 H new ATOM 0 HE3 LYS A 46 -2.344 -3.822 -7.223 1.00 1.82 H new ATOM 0 HZ1 LYS A 46 -4.445 -3.587 -8.360 1.00 2.08 H new ATOM 0 HZ2 LYS A 46 -3.216 -3.891 -9.491 1.00 2.08 H new ATOM 0 HZ3 LYS A 46 -4.292 -5.130 -9.053 1.00 2.08 H new ATOM 453 N LEU A 47 2.838 -4.910 -7.491 1.00 1.18 N ATOM 454 CA LEU A 47 3.520 -3.765 -6.898 1.00 1.15 C ATOM 455 C LEU A 47 4.040 -2.816 -7.978 1.00 1.18 C ATOM 456 O LEU A 47 4.055 -1.600 -7.800 1.00 1.20 O ATOM 457 CB LEU A 47 4.672 -4.260 -6.015 1.00 1.21 C ATOM 458 CG LEU A 47 5.494 -3.172 -5.318 1.00 1.64 C ATOM 459 CD1 LEU A 47 5.716 -3.523 -3.854 1.00 2.54 C ATOM 460 CD2 LEU A 47 6.828 -2.979 -6.022 1.00 2.22 C ATOM 0 H LEU A 47 3.298 -5.804 -7.320 1.00 1.18 H new ATOM 0 HA LEU A 47 2.809 -3.210 -6.286 1.00 1.15 H new ATOM 0 HB2 LEU A 47 4.262 -4.923 -5.253 1.00 1.21 H new ATOM 0 HB3 LEU A 47 5.344 -4.859 -6.630 1.00 1.21 H new ATOM 0 HG LEU A 47 4.936 -2.237 -5.368 1.00 1.64 H new ATOM 0 HD11 LEU A 47 6.302 -2.738 -3.376 1.00 2.54 H new ATOM 0 HD12 LEU A 47 4.753 -3.614 -3.352 1.00 2.54 H new ATOM 0 HD13 LEU A 47 6.252 -4.469 -3.784 1.00 2.54 H new ATOM 0 HD21 LEU A 47 7.399 -2.202 -5.513 1.00 2.22 H new ATOM 0 HD22 LEU A 47 7.389 -3.914 -6.002 1.00 2.22 H new ATOM 0 HD23 LEU A 47 6.654 -2.683 -7.056 1.00 2.22 H new ATOM 472 N LYS A 48 4.436 -3.384 -9.103 1.00 1.25 N ATOM 473 CA LYS A 48 4.979 -2.606 -10.207 1.00 1.37 C ATOM 474 C LYS A 48 3.889 -1.835 -10.956 1.00 1.38 C ATOM 475 O LYS A 48 4.116 -0.706 -11.388 1.00 1.43 O ATOM 476 CB LYS A 48 5.729 -3.530 -11.171 1.00 1.53 C ATOM 477 CG LYS A 48 6.873 -4.294 -10.517 1.00 1.58 C ATOM 478 CD LYS A 48 7.444 -5.360 -11.442 1.00 1.80 C ATOM 479 CE LYS A 48 8.192 -4.748 -12.619 1.00 2.01 C ATOM 480 NZ LYS A 48 8.691 -5.787 -13.555 1.00 2.26 N ATOM 0 H LYS A 48 4.392 -4.388 -9.279 1.00 1.25 H new ATOM 0 HA LYS A 48 5.668 -1.872 -9.790 1.00 1.37 H new ATOM 0 HB2 LYS A 48 5.025 -4.243 -11.599 1.00 1.53 H new ATOM 0 HB3 LYS A 48 6.124 -2.937 -11.996 1.00 1.53 H new ATOM 0 HG2 LYS A 48 7.662 -3.596 -10.236 1.00 1.58 H new ATOM 0 HG3 LYS A 48 6.519 -4.762 -9.598 1.00 1.58 H new ATOM 0 HD2 LYS A 48 8.118 -6.006 -10.879 1.00 1.80 H new ATOM 0 HD3 LYS A 48 6.635 -5.990 -11.813 1.00 1.80 H new ATOM 0 HE2 LYS A 48 7.532 -4.064 -13.153 1.00 2.01 H new ATOM 0 HE3 LYS A 48 9.031 -4.158 -12.250 1.00 2.01 H new ATOM 0 HZ1 LYS A 48 8.772 -5.384 -14.510 1.00 2.26 H new ATOM 0 HZ2 LYS A 48 9.625 -6.119 -13.239 1.00 2.26 H new ATOM 0 HZ3 LYS A 48 8.027 -6.587 -13.572 1.00 2.26 H new ATOM 494 N GLU A 49 2.711 -2.427 -11.101 1.00 1.39 N ATOM 495 CA GLU A 49 1.618 -1.773 -11.825 1.00 1.46 C ATOM 496 C GLU A 49 0.852 -0.777 -10.957 1.00 1.40 C ATOM 497 O GLU A 49 0.584 0.345 -11.387 1.00 1.51 O ATOM 498 CB GLU A 49 0.651 -2.814 -12.404 1.00 1.52 C ATOM 499 CG GLU A 49 0.229 -3.883 -11.408 1.00 1.45 C ATOM 500 CD GLU A 49 -1.269 -4.077 -11.349 1.00 1.63 C ATOM 501 OE1 GLU A 49 -1.793 -4.908 -12.115 1.00 1.88 O ATOM 502 OE2 GLU A 49 -1.931 -3.409 -10.527 1.00 1.70 O ATOM 0 H GLU A 49 2.484 -3.351 -10.732 1.00 1.39 H new ATOM 0 HA GLU A 49 2.076 -1.211 -12.639 1.00 1.46 H new ATOM 0 HB2 GLU A 49 -0.239 -2.304 -12.773 1.00 1.52 H new ATOM 0 HB3 GLU A 49 1.121 -3.295 -13.261 1.00 1.52 H new ATOM 0 HG2 GLU A 49 0.702 -4.828 -11.675 1.00 1.45 H new ATOM 0 HG3 GLU A 49 0.594 -3.613 -10.417 1.00 1.45 H new ATOM 509 N SER A 50 0.515 -1.177 -9.737 1.00 1.30 N ATOM 510 CA SER A 50 -0.251 -0.325 -8.833 1.00 1.32 C ATOM 511 C SER A 50 0.452 0.998 -8.549 1.00 1.33 C ATOM 512 O SER A 50 -0.168 2.063 -8.594 1.00 1.46 O ATOM 513 CB SER A 50 -0.523 -1.063 -7.526 1.00 1.26 C ATOM 514 OG SER A 50 0.675 -1.588 -6.984 1.00 1.37 O ATOM 0 H SER A 50 0.760 -2.088 -9.349 1.00 1.30 H new ATOM 0 HA SER A 50 -1.194 -0.092 -9.328 1.00 1.32 H new ATOM 0 HB2 SER A 50 -0.984 -0.384 -6.809 1.00 1.26 H new ATOM 0 HB3 SER A 50 -1.233 -1.872 -7.701 1.00 1.26 H new ATOM 0 HG SER A 50 0.813 -2.499 -7.317 1.00 1.37 H new ATOM 520 N TYR A 51 1.746 0.938 -8.268 1.00 1.26 N ATOM 521 CA TYR A 51 2.495 2.142 -7.967 1.00 1.33 C ATOM 522 C TYR A 51 2.549 3.080 -9.171 1.00 1.50 C ATOM 523 O TYR A 51 2.489 4.297 -9.008 1.00 1.62 O ATOM 524 CB TYR A 51 3.903 1.809 -7.487 1.00 1.28 C ATOM 525 CG TYR A 51 4.539 2.953 -6.731 1.00 1.35 C ATOM 526 CD1 TYR A 51 3.870 3.574 -5.685 1.00 1.35 C ATOM 527 CD2 TYR A 51 5.798 3.424 -7.072 1.00 1.54 C ATOM 528 CE1 TYR A 51 4.440 4.631 -5.001 1.00 1.46 C ATOM 529 CE2 TYR A 51 6.376 4.482 -6.395 1.00 1.64 C ATOM 530 CZ TYR A 51 5.693 5.083 -5.358 1.00 1.56 C ATOM 531 OH TYR A 51 6.261 6.135 -4.675 1.00 1.69 O ATOM 0 H TYR A 51 2.291 0.076 -8.243 1.00 1.26 H new ATOM 0 HA TYR A 51 1.972 2.657 -7.161 1.00 1.33 H new ATOM 0 HB2 TYR A 51 3.867 0.929 -6.845 1.00 1.28 H new ATOM 0 HB3 TYR A 51 4.525 1.553 -8.344 1.00 1.28 H new ATOM 0 HD1 TYR A 51 2.888 3.225 -5.401 1.00 1.35 H new ATOM 0 HD2 TYR A 51 6.337 2.955 -7.882 1.00 1.54 H new ATOM 0 HE1 TYR A 51 3.906 5.102 -4.189 1.00 1.46 H new ATOM 0 HE2 TYR A 51 7.357 4.836 -6.676 1.00 1.64 H new ATOM 0 HH TYR A 51 7.145 6.329 -5.050 1.00 1.69 H new ATOM 541 N CYS A 52 2.641 2.517 -10.372 1.00 1.55 N ATOM 542 CA CYS A 52 2.682 3.328 -11.584 1.00 1.74 C ATOM 543 C CYS A 52 1.401 4.142 -11.708 1.00 1.84 C ATOM 544 O CYS A 52 1.427 5.319 -12.080 1.00 1.99 O ATOM 545 CB CYS A 52 2.876 2.449 -12.820 1.00 1.82 C ATOM 546 SG CYS A 52 4.524 1.722 -12.950 1.00 1.82 S ATOM 0 H CYS A 52 2.688 1.511 -10.532 1.00 1.55 H new ATOM 0 HA CYS A 52 3.530 4.009 -11.517 1.00 1.74 H new ATOM 0 HB2 CYS A 52 2.137 1.648 -12.804 1.00 1.82 H new ATOM 0 HB3 CYS A 52 2.681 3.045 -13.712 1.00 1.82 H new ATOM 0 HG CYS A 52 4.471 0.465 -12.624 1.00 1.82 H new ATOM 552 N GLN A 53 0.284 3.512 -11.354 1.00 1.79 N ATOM 553 CA GLN A 53 -1.018 4.158 -11.401 1.00 1.94 C ATOM 554 C GLN A 53 -1.068 5.325 -10.420 1.00 1.99 C ATOM 555 O GLN A 53 -1.547 6.409 -10.756 1.00 2.17 O ATOM 556 CB GLN A 53 -2.126 3.156 -11.077 1.00 1.91 C ATOM 557 CG GLN A 53 -2.350 2.123 -12.166 1.00 1.94 C ATOM 558 CD GLN A 53 -3.289 1.016 -11.732 1.00 1.90 C ATOM 559 OE1 GLN A 53 -3.311 0.619 -10.566 1.00 1.86 O ATOM 560 NE2 GLN A 53 -4.084 0.518 -12.664 1.00 2.00 N ATOM 0 H GLN A 53 0.259 2.546 -11.029 1.00 1.79 H new ATOM 0 HA GLN A 53 -1.175 4.539 -12.410 1.00 1.94 H new ATOM 0 HB2 GLN A 53 -1.880 2.643 -10.147 1.00 1.91 H new ATOM 0 HB3 GLN A 53 -3.056 3.698 -10.906 1.00 1.91 H new ATOM 0 HG2 GLN A 53 -2.757 2.614 -13.050 1.00 1.94 H new ATOM 0 HG3 GLN A 53 -1.392 1.690 -12.454 1.00 1.94 H new ATOM 0 HE21 GLN A 53 -4.036 0.874 -13.619 1.00 2.00 H new ATOM 0 HE22 GLN A 53 -4.746 -0.222 -12.428 1.00 2.00 H new ATOM 569 N ARG A 54 -0.555 5.094 -9.211 1.00 1.86 N ATOM 570 CA ARG A 54 -0.529 6.121 -8.174 1.00 1.94 C ATOM 571 C ARG A 54 0.388 7.275 -8.575 1.00 2.02 C ATOM 572 O ARG A 54 0.050 8.443 -8.383 1.00 2.17 O ATOM 573 CB ARG A 54 -0.063 5.535 -6.835 1.00 1.82 C ATOM 574 CG ARG A 54 0.252 6.596 -5.788 1.00 2.10 C ATOM 575 CD ARG A 54 0.822 5.988 -4.519 1.00 1.80 C ATOM 576 NE ARG A 54 1.758 6.896 -3.848 1.00 1.77 N ATOM 577 CZ ARG A 54 2.006 6.889 -2.536 1.00 1.81 C ATOM 578 NH1 ARG A 54 1.349 6.059 -1.730 1.00 1.85 N ATOM 579 NH2 ARG A 54 2.904 7.725 -2.028 1.00 1.89 N ATOM 0 H ARG A 54 -0.151 4.201 -8.927 1.00 1.86 H new ATOM 0 HA ARG A 54 -1.545 6.499 -8.059 1.00 1.94 H new ATOM 0 HB2 ARG A 54 -0.837 4.872 -6.448 1.00 1.82 H new ATOM 0 HB3 ARG A 54 0.825 4.926 -7.003 1.00 1.82 H new ATOM 0 HG2 ARG A 54 0.964 7.312 -6.199 1.00 2.10 H new ATOM 0 HG3 ARG A 54 -0.655 7.151 -5.549 1.00 2.10 H new ATOM 0 HD2 ARG A 54 0.008 5.739 -3.839 1.00 1.80 H new ATOM 0 HD3 ARG A 54 1.332 5.055 -4.761 1.00 1.80 H new ATOM 0 HE ARG A 54 2.253 7.579 -4.422 1.00 1.77 H new ATOM 0 HH11 ARG A 54 0.650 5.422 -2.113 1.00 1.85 H new ATOM 0 HH12 ARG A 54 1.544 6.059 -0.729 1.00 1.85 H new ATOM 0 HH21 ARG A 54 3.403 8.371 -2.640 1.00 1.89 H new ATOM 0 HH22 ARG A 54 3.095 7.721 -1.026 1.00 1.89 H new ATOM 593 N GLN A 55 1.544 6.945 -9.138 1.00 1.96 N ATOM 594 CA GLN A 55 2.507 7.959 -9.553 1.00 2.07 C ATOM 595 C GLN A 55 1.983 8.751 -10.747 1.00 2.27 C ATOM 596 O GLN A 55 2.349 9.911 -10.939 1.00 2.41 O ATOM 597 CB GLN A 55 3.853 7.317 -9.898 1.00 2.01 C ATOM 598 CG GLN A 55 4.557 6.688 -8.703 1.00 1.84 C ATOM 599 CD GLN A 55 4.750 7.659 -7.560 1.00 1.98 C ATOM 600 OE1 GLN A 55 3.882 7.804 -6.697 1.00 1.96 O ATOM 601 NE2 GLN A 55 5.894 8.320 -7.536 1.00 2.24 N ATOM 0 H GLN A 55 1.838 5.985 -9.318 1.00 1.96 H new ATOM 0 HA GLN A 55 2.650 8.646 -8.719 1.00 2.07 H new ATOM 0 HB2 GLN A 55 3.696 6.553 -10.659 1.00 2.01 H new ATOM 0 HB3 GLN A 55 4.505 8.074 -10.335 1.00 2.01 H new ATOM 0 HG2 GLN A 55 3.977 5.833 -8.354 1.00 1.84 H new ATOM 0 HG3 GLN A 55 5.528 6.307 -9.018 1.00 1.84 H new ATOM 0 HE21 GLN A 55 6.585 8.170 -8.271 1.00 2.24 H new ATOM 0 HE22 GLN A 55 6.086 8.980 -6.783 1.00 2.24 H new ATOM 610 N GLY A 56 1.120 8.124 -11.536 1.00 2.29 N ATOM 611 CA GLY A 56 0.562 8.785 -12.699 1.00 2.49 C ATOM 612 C GLY A 56 1.426 8.591 -13.925 1.00 2.55 C ATOM 613 O GLY A 56 1.516 9.471 -14.782 1.00 2.74 O ATOM 0 H GLY A 56 0.796 7.168 -11.391 1.00 2.29 H new ATOM 0 HA2 GLY A 56 -0.437 8.396 -12.894 1.00 2.49 H new ATOM 0 HA3 GLY A 56 0.455 9.850 -12.495 1.00 2.49 H new ATOM 617 N VAL A 57 2.067 7.433 -14.004 1.00 2.42 N ATOM 618 CA VAL A 57 2.941 7.110 -15.122 1.00 2.52 C ATOM 619 C VAL A 57 2.642 5.712 -15.646 1.00 2.44 C ATOM 620 O VAL A 57 2.122 4.864 -14.918 1.00 2.26 O ATOM 621 CB VAL A 57 4.433 7.193 -14.725 1.00 2.52 C ATOM 622 CG1 VAL A 57 4.885 8.641 -14.612 1.00 2.66 C ATOM 623 CG2 VAL A 57 4.690 6.451 -13.420 1.00 2.31 C ATOM 0 H VAL A 57 1.997 6.697 -13.301 1.00 2.42 H new ATOM 0 HA VAL A 57 2.748 7.846 -15.902 1.00 2.52 H new ATOM 0 HB VAL A 57 5.015 6.713 -15.512 1.00 2.52 H new ATOM 0 HG11 VAL A 57 5.938 8.673 -14.332 1.00 2.66 H new ATOM 0 HG12 VAL A 57 4.750 9.140 -15.571 1.00 2.66 H new ATOM 0 HG13 VAL A 57 4.292 9.149 -13.852 1.00 2.66 H new ATOM 0 HG21 VAL A 57 5.747 6.524 -13.162 1.00 2.31 H new ATOM 0 HG22 VAL A 57 4.091 6.895 -12.625 1.00 2.31 H new ATOM 0 HG23 VAL A 57 4.417 5.402 -13.538 1.00 2.31 H new ATOM 633 N PRO A 58 2.941 5.461 -16.924 1.00 2.60 N ATOM 634 CA PRO A 58 2.722 4.152 -17.542 1.00 2.59 C ATOM 635 C PRO A 58 3.666 3.097 -16.978 1.00 2.43 C ATOM 636 O PRO A 58 4.787 3.407 -16.568 1.00 2.41 O ATOM 637 CB PRO A 58 3.027 4.401 -19.020 1.00 2.86 C ATOM 638 CG PRO A 58 3.937 5.577 -19.027 1.00 2.93 C ATOM 639 CD PRO A 58 3.500 6.436 -17.877 1.00 2.84 C ATOM 0 HA PRO A 58 1.716 3.773 -17.361 1.00 2.59 H new ATOM 0 HB2 PRO A 58 3.500 3.532 -19.478 1.00 2.86 H new ATOM 0 HB3 PRO A 58 2.116 4.602 -19.583 1.00 2.86 H new ATOM 0 HG2 PRO A 58 4.976 5.269 -18.912 1.00 2.93 H new ATOM 0 HG3 PRO A 58 3.868 6.120 -19.970 1.00 2.93 H new ATOM 0 HD2 PRO A 58 4.335 6.988 -17.446 1.00 2.84 H new ATOM 0 HD3 PRO A 58 2.757 7.172 -18.183 1.00 2.84 H new ATOM 647 N MET A 59 3.216 1.855 -16.955 1.00 2.35 N ATOM 648 CA MET A 59 4.033 0.765 -16.447 1.00 2.23 C ATOM 649 C MET A 59 5.209 0.504 -17.386 1.00 2.37 C ATOM 650 O MET A 59 5.204 0.954 -18.533 1.00 2.52 O ATOM 651 CB MET A 59 3.188 -0.502 -16.280 1.00 2.17 C ATOM 652 CG MET A 59 3.873 -1.583 -15.458 1.00 2.10 C ATOM 653 SD MET A 59 2.915 -3.102 -15.348 1.00 1.99 S ATOM 654 CE MET A 59 4.100 -4.171 -14.539 1.00 1.73 C ATOM 0 H MET A 59 2.291 1.575 -17.281 1.00 2.35 H new ATOM 0 HA MET A 59 4.425 1.048 -15.470 1.00 2.23 H new ATOM 0 HB2 MET A 59 2.243 -0.239 -15.805 1.00 2.17 H new ATOM 0 HB3 MET A 59 2.949 -0.902 -17.265 1.00 2.17 H new ATOM 0 HG2 MET A 59 4.845 -1.805 -15.899 1.00 2.10 H new ATOM 0 HG3 MET A 59 4.058 -1.204 -14.453 1.00 2.10 H new ATOM 0 HE1 MET A 59 4.220 -5.086 -15.119 1.00 1.73 H new ATOM 0 HE2 MET A 59 5.060 -3.660 -14.465 1.00 1.73 H new ATOM 0 HE3 MET A 59 3.743 -4.419 -13.539 1.00 1.73 H new ATOM 664 N ASN A 60 6.228 -0.188 -16.867 1.00 2.55 N ATOM 665 CA ASN A 60 7.439 -0.538 -17.622 1.00 2.74 C ATOM 666 C ASN A 60 8.394 0.644 -17.729 1.00 2.80 C ATOM 667 O ASN A 60 9.546 0.476 -18.128 1.00 2.93 O ATOM 668 CB ASN A 60 7.114 -1.079 -19.022 1.00 3.07 C ATOM 669 CG ASN A 60 6.673 -2.526 -18.999 1.00 3.37 C ATOM 670 OD1 ASN A 60 5.483 -2.823 -18.878 1.00 3.65 O ATOM 671 ND2 ASN A 60 7.622 -3.440 -19.123 1.00 3.50 N ATOM 0 H ASN A 60 6.237 -0.524 -15.904 1.00 2.55 H new ATOM 0 HA ASN A 60 7.930 -1.333 -17.060 1.00 2.74 H new ATOM 0 HB2 ASN A 60 6.328 -0.471 -19.469 1.00 3.07 H new ATOM 0 HB3 ASN A 60 7.994 -0.981 -19.658 1.00 3.07 H new ATOM 0 HD21 ASN A 60 7.379 -4.431 -19.121 1.00 3.50 H new ATOM 0 HD22 ASN A 60 8.596 -3.154 -19.221 1.00 3.50 H new ATOM 678 N SER A 61 7.922 1.835 -17.374 1.00 2.74 N ATOM 679 CA SER A 61 8.761 3.022 -17.421 1.00 2.82 C ATOM 680 C SER A 61 9.683 3.042 -16.208 1.00 2.72 C ATOM 681 O SER A 61 10.808 3.534 -16.268 1.00 2.87 O ATOM 682 CB SER A 61 7.901 4.291 -17.463 1.00 2.82 C ATOM 683 OG SER A 61 7.171 4.463 -16.259 1.00 2.71 O ATOM 0 H SER A 61 6.968 2.001 -17.053 1.00 2.74 H new ATOM 0 HA SER A 61 9.364 2.994 -18.328 1.00 2.82 H new ATOM 0 HB2 SER A 61 8.539 5.159 -17.630 1.00 2.82 H new ATOM 0 HB3 SER A 61 7.210 4.236 -18.304 1.00 2.82 H new ATOM 0 HG SER A 61 6.267 4.103 -16.371 1.00 2.71 H new ATOM 689 N LEU A 62 9.193 2.484 -15.112 1.00 2.52 N ATOM 690 CA LEU A 62 9.949 2.415 -13.877 1.00 2.44 C ATOM 691 C LEU A 62 10.379 0.982 -13.607 1.00 2.42 C ATOM 692 O LEU A 62 9.574 0.053 -13.697 1.00 2.36 O ATOM 693 CB LEU A 62 9.106 2.930 -12.706 1.00 2.21 C ATOM 694 CG LEU A 62 8.723 4.412 -12.775 1.00 2.26 C ATOM 695 CD1 LEU A 62 7.653 4.730 -11.742 1.00 2.10 C ATOM 696 CD2 LEU A 62 9.946 5.292 -12.559 1.00 2.43 C ATOM 0 H LEU A 62 8.263 2.068 -15.056 1.00 2.52 H new ATOM 0 HA LEU A 62 10.835 3.042 -13.978 1.00 2.44 H new ATOM 0 HB2 LEU A 62 8.192 2.338 -12.650 1.00 2.21 H new ATOM 0 HB3 LEU A 62 9.655 2.757 -11.781 1.00 2.21 H new ATOM 0 HG LEU A 62 8.322 4.618 -13.767 1.00 2.26 H new ATOM 0 HD11 LEU A 62 7.391 5.786 -11.803 1.00 2.10 H new ATOM 0 HD12 LEU A 62 6.768 4.125 -11.937 1.00 2.10 H new ATOM 0 HD13 LEU A 62 8.032 4.507 -10.745 1.00 2.10 H new ATOM 0 HD21 LEU A 62 9.654 6.341 -12.612 1.00 2.43 H new ATOM 0 HD22 LEU A 62 10.376 5.084 -11.579 1.00 2.43 H new ATOM 0 HD23 LEU A 62 10.686 5.083 -13.331 1.00 2.43 H new ATOM 708 N ARG A 63 11.650 0.808 -13.291 1.00 2.50 N ATOM 709 CA ARG A 63 12.187 -0.509 -13.006 1.00 2.52 C ATOM 710 C ARG A 63 12.474 -0.646 -11.515 1.00 2.38 C ATOM 711 O ARG A 63 13.205 0.160 -10.932 1.00 2.41 O ATOM 712 CB ARG A 63 13.457 -0.770 -13.827 1.00 2.78 C ATOM 713 CG ARG A 63 14.546 0.279 -13.645 1.00 2.88 C ATOM 714 CD ARG A 63 15.800 -0.076 -14.426 1.00 3.08 C ATOM 715 NE ARG A 63 16.843 0.936 -14.272 1.00 3.22 N ATOM 716 CZ ARG A 63 17.341 1.657 -15.278 1.00 3.35 C ATOM 717 NH1 ARG A 63 16.906 1.478 -16.516 1.00 3.39 N ATOM 718 NH2 ARG A 63 18.276 2.565 -15.041 1.00 3.47 N ATOM 0 H ARG A 63 12.330 1.565 -13.225 1.00 2.50 H new ATOM 0 HA ARG A 63 11.444 -1.255 -13.290 1.00 2.52 H new ATOM 0 HB2 ARG A 63 13.859 -1.746 -13.553 1.00 2.78 H new ATOM 0 HB3 ARG A 63 13.190 -0.820 -14.882 1.00 2.78 H new ATOM 0 HG2 ARG A 63 14.175 1.250 -13.973 1.00 2.88 H new ATOM 0 HG3 ARG A 63 14.790 0.372 -12.587 1.00 2.88 H new ATOM 0 HD2 ARG A 63 16.178 -1.041 -14.087 1.00 3.08 H new ATOM 0 HD3 ARG A 63 15.552 -0.184 -15.482 1.00 3.08 H new ATOM 0 HE ARG A 63 17.214 1.102 -13.336 1.00 3.22 H new ATOM 0 HH11 ARG A 63 16.184 0.784 -16.707 1.00 3.39 H new ATOM 0 HH12 ARG A 63 17.293 2.034 -17.278 1.00 3.39 H new ATOM 0 HH21 ARG A 63 18.614 2.712 -14.090 1.00 3.47 H new ATOM 0 HH22 ARG A 63 18.657 3.117 -15.809 1.00 3.47 H new ATOM 732 N PHE A 64 11.869 -1.646 -10.899 1.00 2.24 N ATOM 733 CA PHE A 64 12.067 -1.895 -9.483 1.00 2.11 C ATOM 734 C PHE A 64 13.268 -2.806 -9.286 1.00 2.29 C ATOM 735 O PHE A 64 13.340 -3.891 -9.867 1.00 2.40 O ATOM 736 CB PHE A 64 10.815 -2.519 -8.865 1.00 1.87 C ATOM 737 CG PHE A 64 9.732 -1.521 -8.577 1.00 1.69 C ATOM 738 CD1 PHE A 64 9.697 -0.851 -7.366 1.00 1.54 C ATOM 739 CD2 PHE A 64 8.747 -1.254 -9.516 1.00 1.73 C ATOM 740 CE1 PHE A 64 8.701 0.065 -7.093 1.00 1.43 C ATOM 741 CE2 PHE A 64 7.748 -0.340 -9.248 1.00 1.64 C ATOM 742 CZ PHE A 64 7.724 0.320 -8.035 1.00 1.49 C ATOM 0 H PHE A 64 11.235 -2.300 -11.359 1.00 2.24 H new ATOM 0 HA PHE A 64 12.255 -0.946 -8.981 1.00 2.11 H new ATOM 0 HB2 PHE A 64 10.426 -3.281 -9.541 1.00 1.87 H new ATOM 0 HB3 PHE A 64 11.089 -3.024 -7.939 1.00 1.87 H new ATOM 0 HD1 PHE A 64 10.458 -1.047 -6.626 1.00 1.54 H new ATOM 0 HD2 PHE A 64 8.762 -1.766 -10.467 1.00 1.73 H new ATOM 0 HE1 PHE A 64 8.686 0.581 -6.144 1.00 1.43 H new ATOM 0 HE2 PHE A 64 6.985 -0.141 -9.986 1.00 1.64 H new ATOM 0 HZ PHE A 64 6.942 1.035 -7.824 1.00 1.49 H new ATOM 752 N LEU A 65 14.213 -2.353 -8.478 1.00 2.35 N ATOM 753 CA LEU A 65 15.421 -3.113 -8.210 1.00 2.54 C ATOM 754 C LEU A 65 15.428 -3.633 -6.780 1.00 2.45 C ATOM 755 O LEU A 65 15.158 -2.889 -5.837 1.00 2.29 O ATOM 756 CB LEU A 65 16.667 -2.251 -8.449 1.00 2.77 C ATOM 757 CG LEU A 65 16.762 -1.595 -9.831 1.00 2.97 C ATOM 758 CD1 LEU A 65 18.081 -0.850 -9.970 1.00 3.16 C ATOM 759 CD2 LEU A 65 16.620 -2.631 -10.933 1.00 3.20 C ATOM 0 H LEU A 65 14.165 -1.456 -7.994 1.00 2.35 H new ATOM 0 HA LEU A 65 15.438 -3.962 -8.894 1.00 2.54 H new ATOM 0 HB2 LEU A 65 16.696 -1.468 -7.692 1.00 2.77 H new ATOM 0 HB3 LEU A 65 17.551 -2.872 -8.299 1.00 2.77 H new ATOM 0 HG LEU A 65 15.944 -0.882 -9.929 1.00 2.97 H new ATOM 0 HD11 LEU A 65 18.136 -0.389 -10.956 1.00 3.16 H new ATOM 0 HD12 LEU A 65 18.145 -0.077 -9.204 1.00 3.16 H new ATOM 0 HD13 LEU A 65 18.908 -1.549 -9.850 1.00 3.16 H new ATOM 0 HD21 LEU A 65 16.691 -2.141 -11.904 1.00 3.20 H new ATOM 0 HD22 LEU A 65 17.415 -3.371 -10.841 1.00 3.20 H new ATOM 0 HD23 LEU A 65 15.652 -3.125 -10.845 1.00 3.20 H new ATOM 771 N PHE A 66 15.725 -4.911 -6.639 1.00 2.57 N ATOM 772 CA PHE A 66 15.791 -5.545 -5.338 1.00 2.54 C ATOM 773 C PHE A 66 17.151 -6.202 -5.168 1.00 2.84 C ATOM 774 O PHE A 66 17.446 -7.222 -5.797 1.00 2.97 O ATOM 775 CB PHE A 66 14.674 -6.579 -5.191 1.00 2.37 C ATOM 776 CG PHE A 66 14.473 -7.058 -3.780 1.00 2.35 C ATOM 777 CD1 PHE A 66 14.103 -6.174 -2.779 1.00 2.20 C ATOM 778 CD2 PHE A 66 14.642 -8.394 -3.456 1.00 2.54 C ATOM 779 CE1 PHE A 66 13.908 -6.611 -1.483 1.00 2.24 C ATOM 780 CE2 PHE A 66 14.448 -8.839 -2.161 1.00 2.56 C ATOM 781 CZ PHE A 66 14.081 -7.946 -1.174 1.00 2.42 C ATOM 0 H PHE A 66 15.926 -5.536 -7.420 1.00 2.57 H new ATOM 0 HA PHE A 66 15.657 -4.791 -4.562 1.00 2.54 H new ATOM 0 HB2 PHE A 66 13.742 -6.147 -5.555 1.00 2.37 H new ATOM 0 HB3 PHE A 66 14.898 -7.435 -5.827 1.00 2.37 H new ATOM 0 HD1 PHE A 66 13.965 -5.129 -3.015 1.00 2.20 H new ATOM 0 HD2 PHE A 66 14.929 -9.097 -4.224 1.00 2.54 H new ATOM 0 HE1 PHE A 66 13.621 -5.910 -0.713 1.00 2.24 H new ATOM 0 HE2 PHE A 66 14.583 -9.884 -1.922 1.00 2.56 H new ATOM 0 HZ PHE A 66 13.929 -8.291 -0.162 1.00 2.42 H new ATOM 791 N GLU A 67 17.984 -5.581 -4.344 1.00 2.95 N ATOM 792 CA GLU A 67 19.333 -6.062 -4.071 1.00 3.25 C ATOM 793 C GLU A 67 20.196 -6.019 -5.330 1.00 3.44 C ATOM 794 O GLU A 67 21.062 -6.869 -5.533 1.00 3.64 O ATOM 795 CB GLU A 67 19.306 -7.474 -3.481 1.00 3.32 C ATOM 796 CG GLU A 67 18.600 -7.560 -2.136 1.00 3.20 C ATOM 797 CD GLU A 67 19.110 -8.704 -1.290 1.00 3.33 C ATOM 798 OE1 GLU A 67 18.627 -9.839 -1.464 1.00 3.33 O ATOM 799 OE2 GLU A 67 20.003 -8.475 -0.449 1.00 3.62 O ATOM 0 H GLU A 67 17.743 -4.726 -3.844 1.00 2.95 H new ATOM 0 HA GLU A 67 19.779 -5.396 -3.332 1.00 3.25 H new ATOM 0 HB2 GLU A 67 18.811 -8.143 -4.185 1.00 3.32 H new ATOM 0 HB3 GLU A 67 20.330 -7.831 -3.368 1.00 3.32 H new ATOM 0 HG2 GLU A 67 18.737 -6.623 -1.596 1.00 3.20 H new ATOM 0 HG3 GLU A 67 17.529 -7.681 -2.298 1.00 3.20 H new ATOM 806 N GLY A 68 19.942 -5.031 -6.182 1.00 3.41 N ATOM 807 CA GLY A 68 20.720 -4.879 -7.397 1.00 3.61 C ATOM 808 C GLY A 68 20.092 -5.532 -8.615 1.00 3.59 C ATOM 809 O GLY A 68 20.413 -5.169 -9.747 1.00 3.75 O ATOM 0 H GLY A 68 19.210 -4.332 -6.052 1.00 3.41 H new ATOM 0 HA2 GLY A 68 20.859 -3.817 -7.597 1.00 3.61 H new ATOM 0 HA3 GLY A 68 21.710 -5.305 -7.238 1.00 3.61 H new ATOM 813 N GLN A 69 19.200 -6.489 -8.399 1.00 3.41 N ATOM 814 CA GLN A 69 18.548 -7.184 -9.507 1.00 3.39 C ATOM 815 C GLN A 69 17.125 -6.672 -9.697 1.00 3.13 C ATOM 816 O GLN A 69 16.410 -6.433 -8.726 1.00 2.88 O ATOM 817 CB GLN A 69 18.536 -8.696 -9.259 1.00 3.42 C ATOM 818 CG GLN A 69 19.896 -9.260 -8.887 1.00 3.76 C ATOM 819 CD GLN A 69 19.962 -10.766 -9.025 1.00 4.25 C ATOM 820 OE1 GLN A 69 18.954 -11.464 -8.888 1.00 4.42 O ATOM 821 NE2 GLN A 69 21.148 -11.280 -9.291 1.00 4.67 N ATOM 0 H GLN A 69 18.910 -6.803 -7.473 1.00 3.41 H new ATOM 0 HA GLN A 69 19.114 -6.984 -10.416 1.00 3.39 H new ATOM 0 HB2 GLN A 69 17.828 -8.920 -8.461 1.00 3.42 H new ATOM 0 HB3 GLN A 69 18.175 -9.200 -10.155 1.00 3.42 H new ATOM 0 HG2 GLN A 69 20.658 -8.807 -9.521 1.00 3.76 H new ATOM 0 HG3 GLN A 69 20.131 -8.983 -7.859 1.00 3.76 H new ATOM 0 HE21 GLN A 69 21.957 -10.668 -9.397 1.00 4.67 H new ATOM 0 HE22 GLN A 69 21.256 -12.289 -9.391 1.00 4.67 H new ATOM 830 N ARG A 70 16.720 -6.492 -10.949 1.00 3.20 N ATOM 831 CA ARG A 70 15.382 -6.002 -11.249 1.00 2.98 C ATOM 832 C ARG A 70 14.328 -7.057 -10.931 1.00 2.82 C ATOM 833 O ARG A 70 14.576 -8.262 -11.032 1.00 2.96 O ATOM 834 CB ARG A 70 15.270 -5.556 -12.711 1.00 3.12 C ATOM 835 CG ARG A 70 15.385 -6.687 -13.722 1.00 3.34 C ATOM 836 CD ARG A 70 15.220 -6.175 -15.145 1.00 3.51 C ATOM 837 NE ARG A 70 13.878 -5.642 -15.384 1.00 3.29 N ATOM 838 CZ ARG A 70 13.625 -4.458 -15.948 1.00 3.31 C ATOM 839 NH1 ARG A 70 14.614 -3.671 -16.354 1.00 3.55 N ATOM 840 NH2 ARG A 70 12.370 -4.059 -16.104 1.00 3.17 N ATOM 0 H ARG A 70 17.297 -6.678 -11.769 1.00 3.20 H new ATOM 0 HA ARG A 70 15.200 -5.135 -10.615 1.00 2.98 H new ATOM 0 HB2 ARG A 70 14.313 -5.054 -12.853 1.00 3.12 H new ATOM 0 HB3 ARG A 70 16.049 -4.821 -12.915 1.00 3.12 H new ATOM 0 HG2 ARG A 70 16.355 -7.173 -13.618 1.00 3.34 H new ATOM 0 HG3 ARG A 70 14.626 -7.442 -13.514 1.00 3.34 H new ATOM 0 HD2 ARG A 70 15.959 -5.397 -15.338 1.00 3.51 H new ATOM 0 HD3 ARG A 70 15.419 -6.985 -15.847 1.00 3.51 H new ATOM 0 HE ARG A 70 13.082 -6.213 -15.101 1.00 3.29 H new ATOM 0 HH11 ARG A 70 15.583 -3.968 -16.237 1.00 3.55 H new ATOM 0 HH12 ARG A 70 14.405 -2.770 -16.783 1.00 3.55 H new ATOM 0 HH21 ARG A 70 11.603 -4.655 -15.794 1.00 3.17 H new ATOM 0 HH22 ARG A 70 12.172 -3.156 -16.534 1.00 3.17 H new ATOM 854 N ILE A 71 13.156 -6.588 -10.537 1.00 2.55 N ATOM 855 CA ILE A 71 12.045 -7.460 -10.188 1.00 2.38 C ATOM 856 C ILE A 71 11.243 -7.865 -11.420 1.00 2.44 C ATOM 857 O ILE A 71 10.717 -7.014 -12.140 1.00 2.40 O ATOM 858 CB ILE A 71 11.100 -6.767 -9.177 1.00 2.07 C ATOM 859 CG1 ILE A 71 11.800 -6.601 -7.828 1.00 2.04 C ATOM 860 CG2 ILE A 71 9.803 -7.551 -9.012 1.00 1.92 C ATOM 861 CD1 ILE A 71 12.215 -7.912 -7.197 1.00 2.17 C ATOM 0 H ILE A 71 12.947 -5.593 -10.450 1.00 2.55 H new ATOM 0 HA ILE A 71 12.472 -8.355 -9.736 1.00 2.38 H new ATOM 0 HB ILE A 71 10.848 -5.781 -9.567 1.00 2.07 H new ATOM 0 HG12 ILE A 71 12.683 -5.975 -7.960 1.00 2.04 H new ATOM 0 HG13 ILE A 71 11.135 -6.073 -7.145 1.00 2.04 H new ATOM 0 HG21 ILE A 71 9.158 -7.041 -8.296 1.00 1.92 H new ATOM 0 HG22 ILE A 71 9.294 -7.620 -9.974 1.00 1.92 H new ATOM 0 HG23 ILE A 71 10.028 -8.554 -8.648 1.00 1.92 H new ATOM 0 HD11 ILE A 71 12.705 -7.718 -6.243 1.00 2.17 H new ATOM 0 HD12 ILE A 71 11.334 -8.532 -7.032 1.00 2.17 H new ATOM 0 HD13 ILE A 71 12.906 -8.433 -7.860 1.00 2.17 H new ATOM 873 N ALA A 72 11.165 -9.168 -11.660 1.00 2.56 N ATOM 874 CA ALA A 72 10.407 -9.692 -12.783 1.00 2.64 C ATOM 875 C ALA A 72 8.931 -9.772 -12.420 1.00 2.42 C ATOM 876 O ALA A 72 8.577 -9.859 -11.243 1.00 2.27 O ATOM 877 CB ALA A 72 10.926 -11.063 -13.192 1.00 2.89 C ATOM 0 H ALA A 72 11.619 -9.881 -11.089 1.00 2.56 H new ATOM 0 HA ALA A 72 10.529 -9.016 -13.630 1.00 2.64 H new ATOM 0 HB1 ALA A 72 10.344 -11.436 -14.035 1.00 2.89 H new ATOM 0 HB2 ALA A 72 11.974 -10.984 -13.482 1.00 2.89 H new ATOM 0 HB3 ALA A 72 10.833 -11.753 -12.353 1.00 2.89 H new ATOM 883 N ASP A 73 8.078 -9.760 -13.431 1.00 2.44 N ATOM 884 CA ASP A 73 6.632 -9.806 -13.222 1.00 2.28 C ATOM 885 C ASP A 73 6.183 -11.167 -12.711 1.00 2.31 C ATOM 886 O ASP A 73 5.170 -11.281 -12.020 1.00 2.17 O ATOM 887 CB ASP A 73 5.895 -9.483 -14.523 1.00 2.32 C ATOM 888 CG ASP A 73 5.973 -8.017 -14.893 1.00 2.24 C ATOM 889 OD1 ASP A 73 6.547 -7.229 -14.118 1.00 2.32 O ATOM 890 OD2 ASP A 73 5.466 -7.644 -15.972 1.00 2.18 O ATOM 0 H ASP A 73 8.359 -9.719 -14.411 1.00 2.44 H new ATOM 0 HA ASP A 73 6.388 -9.058 -12.467 1.00 2.28 H new ATOM 0 HB2 ASP A 73 6.316 -10.080 -15.332 1.00 2.32 H new ATOM 0 HB3 ASP A 73 4.849 -9.773 -14.424 1.00 2.32 H new ATOM 895 N ASN A 74 6.941 -12.196 -13.043 1.00 2.53 N ATOM 896 CA ASN A 74 6.604 -13.552 -12.625 1.00 2.61 C ATOM 897 C ASN A 74 7.190 -13.869 -11.249 1.00 2.56 C ATOM 898 O ASN A 74 7.014 -14.967 -10.728 1.00 2.62 O ATOM 899 CB ASN A 74 7.099 -14.568 -13.661 1.00 2.89 C ATOM 900 CG ASN A 74 8.584 -14.850 -13.547 1.00 3.10 C ATOM 901 OD1 ASN A 74 9.414 -14.035 -13.952 1.00 3.20 O ATOM 902 ND2 ASN A 74 8.926 -16.011 -13.012 1.00 3.29 N ATOM 0 H ASN A 74 7.793 -12.123 -13.599 1.00 2.53 H new ATOM 0 HA ASN A 74 5.519 -13.621 -12.553 1.00 2.61 H new ATOM 0 HB2 ASN A 74 6.547 -15.500 -13.541 1.00 2.89 H new ATOM 0 HB3 ASN A 74 6.881 -14.195 -14.662 1.00 2.89 H new ATOM 0 HD21 ASN A 74 9.911 -16.261 -12.922 1.00 3.29 H new ATOM 0 HD22 ASN A 74 8.205 -16.656 -12.690 1.00 3.29 H new ATOM 909 N HIS A 75 7.866 -12.894 -10.657 1.00 2.48 N ATOM 910 CA HIS A 75 8.476 -13.084 -9.347 1.00 2.46 C ATOM 911 C HIS A 75 7.468 -12.817 -8.235 1.00 2.21 C ATOM 912 O HIS A 75 6.598 -11.954 -8.360 1.00 2.00 O ATOM 913 CB HIS A 75 9.689 -12.165 -9.182 1.00 2.47 C ATOM 914 CG HIS A 75 10.960 -12.737 -9.731 1.00 2.75 C ATOM 915 ND1 HIS A 75 12.217 -12.382 -9.293 1.00 3.12 N ATOM 916 CD2 HIS A 75 11.154 -13.657 -10.710 1.00 2.97 C ATOM 917 CE1 HIS A 75 13.113 -13.081 -9.998 1.00 3.27 C ATOM 918 NE2 HIS A 75 12.518 -13.871 -10.873 1.00 3.17 N ATOM 0 H HIS A 75 8.006 -11.968 -11.060 1.00 2.48 H new ATOM 0 HA HIS A 75 8.805 -14.121 -9.277 1.00 2.46 H new ATOM 0 HB2 HIS A 75 9.484 -11.216 -9.678 1.00 2.47 H new ATOM 0 HB3 HIS A 75 9.827 -11.948 -8.123 1.00 2.47 H new ATOM 0 HD2 HIS A 75 10.373 -14.145 -11.273 1.00 2.97 H new ATOM 0 HE1 HIS A 75 14.183 -13.009 -9.869 1.00 3.27 H new ATOM 0 HE2 HIS A 75 12.967 -14.507 -11.532 1.00 3.17 H new ATOM 926 N THR A 76 7.586 -13.577 -7.159 1.00 2.27 N ATOM 927 CA THR A 76 6.707 -13.437 -6.011 1.00 2.09 C ATOM 928 C THR A 76 7.527 -13.115 -4.764 1.00 2.05 C ATOM 929 O THR A 76 8.738 -13.338 -4.749 1.00 2.19 O ATOM 930 CB THR A 76 5.909 -14.737 -5.767 1.00 2.22 C ATOM 931 OG1 THR A 76 6.803 -15.855 -5.647 1.00 2.32 O ATOM 932 CG2 THR A 76 4.925 -14.995 -6.897 1.00 2.53 C ATOM 0 H THR A 76 8.292 -14.306 -7.057 1.00 2.27 H new ATOM 0 HA THR A 76 6.009 -12.626 -6.217 1.00 2.09 H new ATOM 0 HB THR A 76 5.351 -14.616 -4.839 1.00 2.22 H new ATOM 0 HG1 THR A 76 7.311 -15.958 -6.479 1.00 2.32 H new ATOM 0 HG21 THR A 76 4.377 -15.916 -6.699 1.00 2.53 H new ATOM 0 HG22 THR A 76 4.224 -14.163 -6.966 1.00 2.53 H new ATOM 0 HG23 THR A 76 5.468 -15.091 -7.837 1.00 2.53 H new ATOM 940 N PRO A 77 6.893 -12.585 -3.698 1.00 1.92 N ATOM 941 CA PRO A 77 7.589 -12.256 -2.441 1.00 1.92 C ATOM 942 C PRO A 77 8.122 -13.501 -1.723 1.00 2.13 C ATOM 943 O PRO A 77 8.770 -13.407 -0.680 1.00 2.21 O ATOM 944 CB PRO A 77 6.509 -11.573 -1.590 1.00 1.76 C ATOM 945 CG PRO A 77 5.429 -11.198 -2.546 1.00 1.66 C ATOM 946 CD PRO A 77 5.466 -12.231 -3.634 1.00 1.81 C ATOM 0 HA PRO A 77 8.464 -11.632 -2.621 1.00 1.92 H new ATOM 0 HB2 PRO A 77 6.134 -12.245 -0.818 1.00 1.76 H new ATOM 0 HB3 PRO A 77 6.907 -10.694 -1.082 1.00 1.76 H new ATOM 0 HG2 PRO A 77 4.457 -11.185 -2.052 1.00 1.66 H new ATOM 0 HG3 PRO A 77 5.594 -10.199 -2.950 1.00 1.66 H new ATOM 0 HD2 PRO A 77 4.845 -13.094 -3.394 1.00 1.81 H new ATOM 0 HD3 PRO A 77 5.105 -11.833 -4.582 1.00 1.81 H new ATOM 954 N LYS A 78 7.831 -14.667 -2.288 1.00 2.23 N ATOM 955 CA LYS A 78 8.277 -15.936 -1.727 1.00 2.44 C ATOM 956 C LYS A 78 9.738 -16.197 -2.096 1.00 2.61 C ATOM 957 O LYS A 78 10.505 -16.748 -1.302 1.00 2.76 O ATOM 958 CB LYS A 78 7.383 -17.075 -2.241 1.00 2.48 C ATOM 959 CG LYS A 78 7.844 -18.466 -1.830 1.00 2.66 C ATOM 960 CD LYS A 78 7.666 -18.711 -0.336 1.00 2.76 C ATOM 961 CE LYS A 78 6.198 -18.852 0.040 1.00 2.73 C ATOM 962 NZ LYS A 78 6.030 -19.408 1.407 1.00 2.92 N ATOM 0 H LYS A 78 7.282 -14.759 -3.143 1.00 2.23 H new ATOM 0 HA LYS A 78 8.201 -15.889 -0.641 1.00 2.44 H new ATOM 0 HB2 LYS A 78 6.368 -16.918 -1.875 1.00 2.48 H new ATOM 0 HB3 LYS A 78 7.341 -17.025 -3.329 1.00 2.48 H new ATOM 0 HG2 LYS A 78 7.282 -19.214 -2.389 1.00 2.66 H new ATOM 0 HG3 LYS A 78 8.894 -18.593 -2.095 1.00 2.66 H new ATOM 0 HD2 LYS A 78 8.204 -19.615 -0.049 1.00 2.76 H new ATOM 0 HD3 LYS A 78 8.107 -17.886 0.223 1.00 2.76 H new ATOM 0 HE2 LYS A 78 5.713 -17.878 -0.018 1.00 2.73 H new ATOM 0 HE3 LYS A 78 5.699 -19.500 -0.680 1.00 2.73 H new ATOM 0 HZ1 LYS A 78 5.017 -19.489 1.627 1.00 2.92 H new ATOM 0 HZ2 LYS A 78 6.471 -20.349 1.456 1.00 2.92 H new ATOM 0 HZ3 LYS A 78 6.484 -18.776 2.097 1.00 2.92 H new ATOM 976 N GLU A 79 10.121 -15.784 -3.296 1.00 2.62 N ATOM 977 CA GLU A 79 11.483 -15.974 -3.767 1.00 2.81 C ATOM 978 C GLU A 79 12.310 -14.730 -3.482 1.00 2.76 C ATOM 979 O GLU A 79 11.808 -13.774 -2.885 1.00 2.60 O ATOM 980 CB GLU A 79 11.495 -16.296 -5.263 1.00 2.89 C ATOM 981 CG GLU A 79 10.841 -15.230 -6.129 1.00 2.73 C ATOM 982 CD GLU A 79 10.122 -15.814 -7.325 1.00 2.84 C ATOM 983 OE1 GLU A 79 10.789 -16.147 -8.322 1.00 3.18 O ATOM 984 OE2 GLU A 79 8.881 -15.945 -7.268 1.00 2.70 O ATOM 0 H GLU A 79 9.506 -15.315 -3.961 1.00 2.62 H new ATOM 0 HA GLU A 79 11.923 -16.817 -3.235 1.00 2.81 H new ATOM 0 HB2 GLU A 79 12.527 -16.431 -5.587 1.00 2.89 H new ATOM 0 HB3 GLU A 79 10.984 -17.245 -5.424 1.00 2.89 H new ATOM 0 HG2 GLU A 79 10.133 -14.661 -5.526 1.00 2.73 H new ATOM 0 HG3 GLU A 79 11.602 -14.529 -6.473 1.00 2.73 H new ATOM 991 N LEU A 80 13.587 -14.771 -3.876 1.00 2.91 N ATOM 992 CA LEU A 80 14.526 -13.655 -3.690 1.00 2.90 C ATOM 993 C LEU A 80 14.946 -13.505 -2.228 1.00 2.89 C ATOM 994 O LEU A 80 16.053 -13.049 -1.936 1.00 3.04 O ATOM 995 CB LEU A 80 13.925 -12.336 -4.191 1.00 2.74 C ATOM 996 CG LEU A 80 13.549 -12.313 -5.672 1.00 2.80 C ATOM 997 CD1 LEU A 80 12.464 -11.280 -5.923 1.00 2.70 C ATOM 998 CD2 LEU A 80 14.772 -12.023 -6.528 1.00 2.94 C ATOM 0 H LEU A 80 14.002 -15.582 -4.335 1.00 2.91 H new ATOM 0 HA LEU A 80 15.412 -13.889 -4.280 1.00 2.90 H new ATOM 0 HB2 LEU A 80 13.034 -12.115 -3.603 1.00 2.74 H new ATOM 0 HB3 LEU A 80 14.639 -11.535 -4.001 1.00 2.74 H new ATOM 0 HG LEU A 80 13.164 -13.294 -5.948 1.00 2.80 H new ATOM 0 HD11 LEU A 80 12.205 -11.274 -6.982 1.00 2.70 H new ATOM 0 HD12 LEU A 80 11.581 -11.530 -5.335 1.00 2.70 H new ATOM 0 HD13 LEU A 80 12.826 -10.294 -5.632 1.00 2.70 H new ATOM 0 HD21 LEU A 80 14.485 -12.010 -7.580 1.00 2.94 H new ATOM 0 HD22 LEU A 80 15.187 -11.053 -6.253 1.00 2.94 H new ATOM 0 HD23 LEU A 80 15.522 -12.797 -6.366 1.00 2.94 H new ATOM 1010 N GLY A 81 14.063 -13.887 -1.318 1.00 2.76 N ATOM 1011 CA GLY A 81 14.352 -13.779 0.095 1.00 2.76 C ATOM 1012 C GLY A 81 13.827 -12.485 0.666 1.00 2.56 C ATOM 1013 O GLY A 81 14.445 -11.893 1.550 1.00 2.57 O ATOM 0 H GLY A 81 13.144 -14.273 -1.536 1.00 2.76 H new ATOM 0 HA2 GLY A 81 13.905 -14.620 0.625 1.00 2.76 H new ATOM 0 HA3 GLY A 81 15.429 -13.838 0.253 1.00 2.76 H new ATOM 1017 N MET A 82 12.689 -12.040 0.141 1.00 2.41 N ATOM 1018 CA MET A 82 12.054 -10.804 0.582 1.00 2.23 C ATOM 1019 C MET A 82 11.578 -10.920 2.025 1.00 2.23 C ATOM 1020 O MET A 82 10.889 -11.875 2.388 1.00 2.28 O ATOM 1021 CB MET A 82 10.879 -10.466 -0.342 1.00 2.05 C ATOM 1022 CG MET A 82 10.103 -9.225 0.068 1.00 2.27 C ATOM 1023 SD MET A 82 8.972 -8.666 -1.220 1.00 2.05 S ATOM 1024 CE MET A 82 10.118 -7.941 -2.392 1.00 2.01 C ATOM 0 H MET A 82 12.183 -12.525 -0.600 1.00 2.41 H new ATOM 0 HA MET A 82 12.789 -10.001 0.535 1.00 2.23 H new ATOM 0 HB2 MET A 82 11.256 -10.327 -1.355 1.00 2.05 H new ATOM 0 HB3 MET A 82 10.196 -11.315 -0.369 1.00 2.05 H new ATOM 0 HG2 MET A 82 9.539 -9.436 0.977 1.00 2.27 H new ATOM 0 HG3 MET A 82 10.803 -8.424 0.306 1.00 2.27 H new ATOM 0 HE1 MET A 82 9.571 -7.310 -3.092 1.00 2.01 H new ATOM 0 HE2 MET A 82 10.853 -7.339 -1.858 1.00 2.01 H new ATOM 0 HE3 MET A 82 10.628 -8.733 -2.940 1.00 2.01 H new ATOM 1034 N GLU A 83 11.960 -9.948 2.843 1.00 2.20 N ATOM 1035 CA GLU A 83 11.583 -9.929 4.248 1.00 2.22 C ATOM 1036 C GLU A 83 10.812 -8.654 4.581 1.00 2.07 C ATOM 1037 O GLU A 83 10.547 -7.828 3.707 1.00 1.91 O ATOM 1038 CB GLU A 83 12.828 -10.027 5.132 1.00 2.42 C ATOM 1039 CG GLU A 83 13.567 -11.349 5.007 1.00 2.73 C ATOM 1040 CD GLU A 83 14.846 -11.382 5.813 1.00 2.98 C ATOM 1041 OE1 GLU A 83 14.820 -10.986 6.997 1.00 3.44 O ATOM 1042 OE2 GLU A 83 15.886 -11.814 5.273 1.00 2.89 O ATOM 0 H GLU A 83 12.535 -9.157 2.553 1.00 2.20 H new ATOM 0 HA GLU A 83 10.940 -10.788 4.440 1.00 2.22 H new ATOM 0 HB2 GLU A 83 13.509 -9.215 4.876 1.00 2.42 H new ATOM 0 HB3 GLU A 83 12.536 -9.882 6.172 1.00 2.42 H new ATOM 0 HG2 GLU A 83 12.914 -12.158 5.336 1.00 2.73 H new ATOM 0 HG3 GLU A 83 13.799 -11.533 3.958 1.00 2.73 H new ATOM 1049 N GLU A 84 10.456 -8.501 5.848 1.00 2.15 N ATOM 1050 CA GLU A 84 9.722 -7.332 6.307 1.00 2.07 C ATOM 1051 C GLU A 84 10.652 -6.127 6.400 1.00 2.08 C ATOM 1052 O GLU A 84 11.832 -6.273 6.737 1.00 2.22 O ATOM 1053 CB GLU A 84 9.090 -7.613 7.669 1.00 2.20 C ATOM 1054 CG GLU A 84 8.136 -6.532 8.139 1.00 2.18 C ATOM 1055 CD GLU A 84 6.709 -7.018 8.209 1.00 2.10 C ATOM 1056 OE1 GLU A 84 6.456 -8.025 8.902 1.00 2.34 O ATOM 1057 OE2 GLU A 84 5.833 -6.398 7.576 1.00 2.01 O ATOM 0 H GLU A 84 10.666 -9.178 6.581 1.00 2.15 H new ATOM 0 HA GLU A 84 8.932 -7.110 5.589 1.00 2.07 H new ATOM 0 HB2 GLU A 84 8.554 -8.561 7.621 1.00 2.20 H new ATOM 0 HB3 GLU A 84 9.882 -7.731 8.408 1.00 2.20 H new ATOM 0 HG2 GLU A 84 8.446 -6.180 9.123 1.00 2.18 H new ATOM 0 HG3 GLU A 84 8.194 -5.680 7.462 1.00 2.18 H new ATOM 1064 N GLU A 85 10.116 -4.948 6.083 1.00 1.98 N ATOM 1065 CA GLU A 85 10.875 -3.697 6.127 1.00 2.01 C ATOM 1066 C GLU A 85 12.037 -3.741 5.144 1.00 2.02 C ATOM 1067 O GLU A 85 13.054 -3.072 5.334 1.00 2.18 O ATOM 1068 CB GLU A 85 11.387 -3.420 7.544 1.00 2.22 C ATOM 1069 CG GLU A 85 10.285 -3.097 8.542 1.00 2.32 C ATOM 1070 CD GLU A 85 9.812 -1.660 8.444 1.00 2.36 C ATOM 1071 OE1 GLU A 85 10.391 -0.788 9.122 1.00 2.55 O ATOM 1072 OE2 GLU A 85 8.865 -1.393 7.671 1.00 2.47 O ATOM 0 H GLU A 85 9.146 -4.833 5.789 1.00 1.98 H new ATOM 0 HA GLU A 85 10.207 -2.886 5.839 1.00 2.01 H new ATOM 0 HB2 GLU A 85 11.941 -4.290 7.897 1.00 2.22 H new ATOM 0 HB3 GLU A 85 12.090 -2.587 7.510 1.00 2.22 H new ATOM 0 HG2 GLU A 85 9.441 -3.766 8.374 1.00 2.32 H new ATOM 0 HG3 GLU A 85 10.647 -3.288 9.552 1.00 2.32 H new ATOM 1079 N ASP A 86 11.878 -4.532 4.090 1.00 1.90 N ATOM 1080 CA ASP A 86 12.916 -4.668 3.082 1.00 1.96 C ATOM 1081 C ASP A 86 12.937 -3.455 2.170 1.00 1.88 C ATOM 1082 O ASP A 86 11.886 -2.926 1.797 1.00 1.79 O ATOM 1083 CB ASP A 86 12.719 -5.937 2.259 1.00 1.93 C ATOM 1084 CG ASP A 86 13.885 -6.892 2.402 1.00 2.12 C ATOM 1085 OD1 ASP A 86 14.963 -6.457 2.864 1.00 2.17 O ATOM 1086 OD2 ASP A 86 13.733 -8.080 2.064 1.00 2.28 O ATOM 0 H ASP A 86 11.041 -5.087 3.913 1.00 1.90 H new ATOM 0 HA ASP A 86 13.874 -4.738 3.598 1.00 1.96 H new ATOM 0 HB2 ASP A 86 11.802 -6.435 2.574 1.00 1.93 H new ATOM 0 HB3 ASP A 86 12.594 -5.672 1.209 1.00 1.93 H new ATOM 1091 N VAL A 87 14.135 -3.027 1.813 1.00 1.97 N ATOM 1092 CA VAL A 87 14.312 -1.866 0.962 1.00 1.94 C ATOM 1093 C VAL A 87 14.346 -2.250 -0.512 1.00 1.94 C ATOM 1094 O VAL A 87 15.105 -3.129 -0.925 1.00 2.10 O ATOM 1095 CB VAL A 87 15.610 -1.109 1.324 1.00 2.13 C ATOM 1096 CG1 VAL A 87 15.945 -0.051 0.282 1.00 2.18 C ATOM 1097 CG2 VAL A 87 15.493 -0.480 2.703 1.00 2.19 C ATOM 0 H VAL A 87 15.006 -3.471 2.103 1.00 1.97 H new ATOM 0 HA VAL A 87 13.455 -1.214 1.132 1.00 1.94 H new ATOM 0 HB VAL A 87 16.425 -1.833 1.338 1.00 2.13 H new ATOM 0 HG11 VAL A 87 16.863 0.463 0.567 1.00 2.18 H new ATOM 0 HG12 VAL A 87 16.082 -0.527 -0.689 1.00 2.18 H new ATOM 0 HG13 VAL A 87 15.130 0.670 0.221 1.00 2.18 H new ATOM 0 HG21 VAL A 87 16.416 0.049 2.941 1.00 2.19 H new ATOM 0 HG22 VAL A 87 14.659 0.222 2.713 1.00 2.19 H new ATOM 0 HG23 VAL A 87 15.320 -1.259 3.445 1.00 2.19 H new ATOM 1107 N ILE A 88 13.506 -1.592 -1.289 1.00 1.78 N ATOM 1108 CA ILE A 88 13.443 -1.813 -2.722 1.00 1.80 C ATOM 1109 C ILE A 88 13.619 -0.468 -3.432 1.00 1.86 C ATOM 1110 O ILE A 88 13.107 0.556 -2.969 1.00 1.79 O ATOM 1111 CB ILE A 88 12.119 -2.502 -3.141 1.00 1.61 C ATOM 1112 CG1 ILE A 88 12.115 -2.811 -4.642 1.00 1.67 C ATOM 1113 CG2 ILE A 88 10.919 -1.647 -2.767 1.00 1.44 C ATOM 1114 CD1 ILE A 88 10.977 -3.713 -5.072 1.00 1.52 C ATOM 0 H ILE A 88 12.850 -0.891 -0.946 1.00 1.78 H new ATOM 0 HA ILE A 88 14.246 -2.490 -3.014 1.00 1.80 H new ATOM 0 HB ILE A 88 12.046 -3.445 -2.599 1.00 1.61 H new ATOM 0 HG12 ILE A 88 12.055 -1.875 -5.197 1.00 1.67 H new ATOM 0 HG13 ILE A 88 13.061 -3.281 -4.910 1.00 1.67 H new ATOM 0 HG21 ILE A 88 10.003 -2.153 -3.072 1.00 1.44 H new ATOM 0 HG22 ILE A 88 10.906 -1.491 -1.688 1.00 1.44 H new ATOM 0 HG23 ILE A 88 10.987 -0.684 -3.272 1.00 1.44 H new ATOM 0 HD11 ILE A 88 11.038 -3.889 -6.146 1.00 1.52 H new ATOM 0 HD12 ILE A 88 11.047 -4.664 -4.544 1.00 1.52 H new ATOM 0 HD13 ILE A 88 10.026 -3.236 -4.836 1.00 1.52 H new ATOM 1126 N GLU A 89 14.363 -0.461 -4.527 1.00 2.04 N ATOM 1127 CA GLU A 89 14.618 0.772 -5.256 1.00 2.14 C ATOM 1128 C GLU A 89 13.798 0.841 -6.537 1.00 2.11 C ATOM 1129 O GLU A 89 13.360 -0.181 -7.065 1.00 2.11 O ATOM 1130 CB GLU A 89 16.105 0.894 -5.584 1.00 2.41 C ATOM 1131 CG GLU A 89 17.000 0.935 -4.354 1.00 2.43 C ATOM 1132 CD GLU A 89 18.474 0.958 -4.704 1.00 2.68 C ATOM 1133 OE1 GLU A 89 19.026 2.059 -4.905 1.00 2.90 O ATOM 1134 OE2 GLU A 89 19.089 -0.126 -4.789 1.00 2.87 O ATOM 0 H GLU A 89 14.799 -1.291 -4.929 1.00 2.04 H new ATOM 0 HA GLU A 89 14.319 1.603 -4.617 1.00 2.14 H new ATOM 0 HB2 GLU A 89 16.400 0.052 -6.210 1.00 2.41 H new ATOM 0 HB3 GLU A 89 16.266 1.799 -6.170 1.00 2.41 H new ATOM 0 HG2 GLU A 89 16.757 1.818 -3.762 1.00 2.43 H new ATOM 0 HG3 GLU A 89 16.793 0.066 -3.730 1.00 2.43 H new ATOM 1141 N VAL A 90 13.596 2.053 -7.032 1.00 2.12 N ATOM 1142 CA VAL A 90 12.837 2.270 -8.251 1.00 2.12 C ATOM 1143 C VAL A 90 13.477 3.380 -9.088 1.00 2.32 C ATOM 1144 O VAL A 90 13.659 4.505 -8.619 1.00 2.36 O ATOM 1145 CB VAL A 90 11.356 2.607 -7.948 1.00 1.93 C ATOM 1146 CG1 VAL A 90 11.238 3.773 -6.973 1.00 1.92 C ATOM 1147 CG2 VAL A 90 10.597 2.899 -9.235 1.00 1.94 C ATOM 0 H VAL A 90 13.951 2.907 -6.602 1.00 2.12 H new ATOM 0 HA VAL A 90 12.855 1.342 -8.822 1.00 2.12 H new ATOM 0 HB VAL A 90 10.907 1.734 -7.474 1.00 1.93 H new ATOM 0 HG11 VAL A 90 10.186 3.983 -6.782 1.00 1.92 H new ATOM 0 HG12 VAL A 90 11.732 3.515 -6.036 1.00 1.92 H new ATOM 0 HG13 VAL A 90 11.712 4.656 -7.402 1.00 1.92 H new ATOM 0 HG21 VAL A 90 9.559 3.133 -9.000 1.00 1.94 H new ATOM 0 HG22 VAL A 90 11.055 3.748 -9.743 1.00 1.94 H new ATOM 0 HG23 VAL A 90 10.633 2.025 -9.885 1.00 1.94 H new ATOM 1157 N TYR A 91 13.840 3.045 -10.319 1.00 2.46 N ATOM 1158 CA TYR A 91 14.461 3.999 -11.230 1.00 2.66 C ATOM 1159 C TYR A 91 13.719 3.999 -12.556 1.00 2.72 C ATOM 1160 O TYR A 91 12.984 3.062 -12.855 1.00 2.67 O ATOM 1161 CB TYR A 91 15.937 3.650 -11.453 1.00 2.86 C ATOM 1162 CG TYR A 91 16.774 3.723 -10.197 1.00 2.85 C ATOM 1163 CD1 TYR A 91 17.369 4.914 -9.807 1.00 2.89 C ATOM 1164 CD2 TYR A 91 16.971 2.601 -9.402 1.00 2.82 C ATOM 1165 CE1 TYR A 91 18.133 4.986 -8.659 1.00 2.92 C ATOM 1166 CE2 TYR A 91 17.734 2.664 -8.252 1.00 2.84 C ATOM 1167 CZ TYR A 91 18.313 3.859 -7.884 1.00 2.89 C ATOM 1168 OH TYR A 91 19.078 3.929 -6.741 1.00 2.94 O ATOM 0 H TYR A 91 13.714 2.112 -10.712 1.00 2.46 H new ATOM 0 HA TYR A 91 14.406 4.993 -10.787 1.00 2.66 H new ATOM 0 HB2 TYR A 91 16.005 2.644 -11.867 1.00 2.86 H new ATOM 0 HB3 TYR A 91 16.354 4.329 -12.197 1.00 2.86 H new ATOM 0 HD1 TYR A 91 17.232 5.799 -10.411 1.00 2.89 H new ATOM 0 HD2 TYR A 91 16.520 1.663 -9.688 1.00 2.82 H new ATOM 0 HE1 TYR A 91 18.588 5.921 -8.369 1.00 2.92 H new ATOM 0 HE2 TYR A 91 17.876 1.782 -7.645 1.00 2.84 H new ATOM 0 HH TYR A 91 18.751 3.276 -6.088 1.00 2.94 H new ATOM 1178 N GLN A 92 13.902 5.042 -13.349 1.00 2.84 N ATOM 1179 CA GLN A 92 13.227 5.128 -14.634 1.00 2.93 C ATOM 1180 C GLN A 92 14.094 4.551 -15.744 1.00 3.14 C ATOM 1181 O GLN A 92 15.305 4.771 -15.779 1.00 3.31 O ATOM 1182 CB GLN A 92 12.865 6.575 -14.961 1.00 3.07 C ATOM 1183 CG GLN A 92 11.758 6.689 -15.996 1.00 3.13 C ATOM 1184 CD GLN A 92 11.720 8.042 -16.666 1.00 3.36 C ATOM 1185 OE1 GLN A 92 11.077 8.973 -16.181 1.00 3.44 O ATOM 1186 NE2 GLN A 92 12.399 8.158 -17.793 1.00 3.63 N ATOM 0 H GLN A 92 14.506 5.834 -13.129 1.00 2.84 H new ATOM 0 HA GLN A 92 12.310 4.542 -14.565 1.00 2.93 H new ATOM 0 HB2 GLN A 92 12.555 7.082 -14.047 1.00 3.07 H new ATOM 0 HB3 GLN A 92 13.752 7.092 -15.327 1.00 3.07 H new ATOM 0 HG2 GLN A 92 11.894 5.917 -16.754 1.00 3.13 H new ATOM 0 HG3 GLN A 92 10.798 6.499 -15.517 1.00 3.13 H new ATOM 0 HE21 GLN A 92 12.919 7.361 -18.160 1.00 3.63 H new ATOM 0 HE22 GLN A 92 12.404 9.045 -18.297 1.00 3.63 H new ATOM 1195 N GLU A 93 13.467 3.806 -16.638 1.00 3.15 N ATOM 1196 CA GLU A 93 14.162 3.203 -17.761 1.00 3.36 C ATOM 1197 C GLU A 93 14.535 4.274 -18.780 1.00 3.61 C ATOM 1198 O GLU A 93 13.775 5.220 -19.003 1.00 3.61 O ATOM 1199 CB GLU A 93 13.280 2.136 -18.417 1.00 3.31 C ATOM 1200 CG GLU A 93 12.913 0.990 -17.483 1.00 3.20 C ATOM 1201 CD GLU A 93 13.880 -0.178 -17.557 1.00 3.30 C ATOM 1202 OE1 GLU A 93 15.084 0.051 -17.788 1.00 3.36 O ATOM 1203 OE2 GLU A 93 13.439 -1.335 -17.379 1.00 3.35 O ATOM 0 H GLU A 93 12.468 3.603 -16.606 1.00 3.15 H new ATOM 0 HA GLU A 93 15.074 2.729 -17.397 1.00 3.36 H new ATOM 0 HB2 GLU A 93 12.365 2.605 -18.780 1.00 3.31 H new ATOM 0 HB3 GLU A 93 13.798 1.733 -19.287 1.00 3.31 H new ATOM 0 HG2 GLU A 93 12.880 1.361 -16.459 1.00 3.20 H new ATOM 0 HG3 GLU A 93 11.910 0.639 -17.727 1.00 3.20 H new ATOM 1210 N GLN A 94 15.706 4.129 -19.386 1.00 3.83 N ATOM 1211 CA GLN A 94 16.185 5.085 -20.375 1.00 4.09 C ATOM 1212 C GLN A 94 15.315 5.042 -21.629 1.00 4.17 C ATOM 1213 O GLN A 94 15.089 6.067 -22.277 1.00 4.33 O ATOM 1214 CB GLN A 94 17.637 4.779 -20.740 1.00 4.34 C ATOM 1215 CG GLN A 94 18.244 5.756 -21.728 1.00 4.61 C ATOM 1216 CD GLN A 94 19.505 5.218 -22.371 1.00 4.80 C ATOM 1217 OE1 GLN A 94 19.457 4.585 -23.429 1.00 4.90 O ATOM 1218 NE2 GLN A 94 20.638 5.457 -21.736 1.00 4.92 N ATOM 0 H GLN A 94 16.345 3.354 -19.208 1.00 3.83 H new ATOM 0 HA GLN A 94 16.127 6.085 -19.944 1.00 4.09 H new ATOM 0 HB2 GLN A 94 18.237 4.778 -19.830 1.00 4.34 H new ATOM 0 HB3 GLN A 94 17.692 3.774 -21.158 1.00 4.34 H new ATOM 0 HG2 GLN A 94 17.513 5.985 -22.504 1.00 4.61 H new ATOM 0 HG3 GLN A 94 18.471 6.692 -21.217 1.00 4.61 H new ATOM 0 HE21 GLN A 94 20.632 5.985 -20.863 1.00 4.92 H new ATOM 0 HE22 GLN A 94 21.519 5.114 -22.118 1.00 4.92 H new ATOM 1227 N THR A 95 14.830 3.855 -21.959 1.00 4.08 N ATOM 1228 CA THR A 95 13.990 3.667 -23.131 1.00 4.17 C ATOM 1229 C THR A 95 12.648 4.379 -22.975 1.00 4.00 C ATOM 1230 O THR A 95 12.102 4.912 -23.941 1.00 4.17 O ATOM 1231 CB THR A 95 13.748 2.171 -23.379 1.00 4.11 C ATOM 1232 OG1 THR A 95 14.159 1.424 -22.222 1.00 3.88 O ATOM 1233 CG2 THR A 95 14.513 1.693 -24.604 1.00 4.41 C ATOM 0 H THR A 95 15.005 3.002 -21.427 1.00 4.08 H new ATOM 0 HA THR A 95 14.514 4.099 -23.984 1.00 4.17 H new ATOM 0 HB THR A 95 12.685 2.013 -23.560 1.00 4.11 H new ATOM 0 HG1 THR A 95 15.123 1.256 -22.267 1.00 3.88 H new ATOM 0 HG21 THR A 95 14.325 0.630 -24.758 1.00 4.41 H new ATOM 0 HG22 THR A 95 14.182 2.251 -25.480 1.00 4.41 H new ATOM 0 HG23 THR A 95 15.580 1.855 -24.452 1.00 4.41 H new ATOM 1241 N GLY A 96 12.134 4.393 -21.756 1.00 3.73 N ATOM 1242 CA GLY A 96 10.861 5.037 -21.493 1.00 3.60 C ATOM 1243 C GLY A 96 9.760 4.030 -21.244 1.00 3.42 C ATOM 1244 O GLY A 96 8.793 4.317 -20.539 1.00 3.37 O ATOM 0 H GLY A 96 12.576 3.969 -20.940 1.00 3.73 H new ATOM 0 HA2 GLY A 96 10.957 5.691 -20.626 1.00 3.60 H new ATOM 0 HA3 GLY A 96 10.591 5.668 -22.340 1.00 3.60 H new ATOM 1248 N GLY A 97 9.909 2.848 -21.825 1.00 3.39 N ATOM 1249 CA GLY A 97 8.922 1.803 -21.654 1.00 3.25 C ATOM 1250 C GLY A 97 7.880 1.832 -22.749 1.00 3.46 C ATOM 1251 O GLY A 97 6.749 1.364 -22.516 1.00 3.54 O ATOM 1252 OXT GLY A 97 8.188 2.337 -23.852 1.00 3.68 O ATOM 0 H GLY A 97 10.701 2.594 -22.415 1.00 3.39 H new ATOM 0 HA2 GLY A 97 9.417 0.832 -21.649 1.00 3.25 H new ATOM 0 HA3 GLY A 97 8.435 1.917 -20.686 1.00 3.25 H new ATOM 1309 N VAL B 4 0.902 4.237 2.958 1.00 1.82 N ATOM 1310 CA VAL B 4 1.210 2.848 2.728 1.00 1.66 C ATOM 1311 C VAL B 4 0.198 2.264 1.758 1.00 1.67 C ATOM 1312 O VAL B 4 -1.014 2.325 1.980 1.00 1.80 O ATOM 1313 CB VAL B 4 1.252 2.055 4.053 1.00 1.71 C ATOM 1314 CG1 VAL B 4 -0.070 2.134 4.792 1.00 2.13 C ATOM 1315 CG2 VAL B 4 1.652 0.615 3.798 1.00 2.04 C ATOM 0 HA VAL B 4 2.204 2.771 2.287 1.00 1.66 H new ATOM 0 HB VAL B 4 2.007 2.512 4.693 1.00 1.71 H new ATOM 0 HG11 VAL B 4 -0.003 1.565 5.719 1.00 2.13 H new ATOM 0 HG12 VAL B 4 -0.297 3.175 5.021 1.00 2.13 H new ATOM 0 HG13 VAL B 4 -0.861 1.719 4.168 1.00 2.13 H new ATOM 0 HG21 VAL B 4 1.676 0.071 4.742 1.00 2.04 H new ATOM 0 HG22 VAL B 4 0.928 0.149 3.130 1.00 2.04 H new ATOM 0 HG23 VAL B 4 2.640 0.588 3.338 1.00 2.04 H new ATOM 1325 N ILE B 5 0.695 1.751 0.648 1.00 1.55 N ATOM 1326 CA ILE B 5 -0.173 1.188 -0.364 1.00 1.57 C ATOM 1327 C ILE B 5 -0.393 -0.297 -0.120 1.00 1.50 C ATOM 1328 O ILE B 5 0.530 -1.101 -0.260 1.00 1.31 O ATOM 1329 CB ILE B 5 0.388 1.400 -1.789 1.00 1.47 C ATOM 1330 CG1 ILE B 5 1.157 2.720 -1.875 1.00 1.55 C ATOM 1331 CG2 ILE B 5 -0.744 1.386 -2.806 1.00 1.58 C ATOM 1332 CD1 ILE B 5 1.883 2.904 -3.186 1.00 1.61 C ATOM 0 H ILE B 5 1.690 1.713 0.427 1.00 1.55 H new ATOM 0 HA ILE B 5 -1.126 1.712 -0.292 1.00 1.57 H new ATOM 0 HB ILE B 5 1.076 0.585 -2.013 1.00 1.47 H new ATOM 0 HG12 ILE B 5 0.462 3.547 -1.733 1.00 1.55 H new ATOM 0 HG13 ILE B 5 1.878 2.766 -1.059 1.00 1.55 H new ATOM 0 HG21 ILE B 5 -0.337 1.536 -3.806 1.00 1.58 H new ATOM 0 HG22 ILE B 5 -1.259 0.426 -2.764 1.00 1.58 H new ATOM 0 HG23 ILE B 5 -1.449 2.186 -2.577 1.00 1.58 H new ATOM 0 HD11 ILE B 5 2.407 3.860 -3.181 1.00 1.61 H new ATOM 0 HD12 ILE B 5 2.602 2.096 -3.320 1.00 1.61 H new ATOM 0 HD13 ILE B 5 1.164 2.889 -4.005 1.00 1.61 H new ATOM 1344 N ASP B 6 -1.605 -0.647 0.285 1.00 1.74 N ATOM 1345 CA ASP B 6 -1.953 -2.039 0.534 1.00 1.77 C ATOM 1346 C ASP B 6 -2.167 -2.754 -0.778 1.00 1.63 C ATOM 1347 O ASP B 6 -3.065 -2.403 -1.547 1.00 1.75 O ATOM 1348 CB ASP B 6 -3.228 -2.170 1.359 1.00 2.16 C ATOM 1349 CG ASP B 6 -3.093 -1.631 2.769 1.00 2.37 C ATOM 1350 OD1 ASP B 6 -2.889 -0.410 2.933 1.00 2.43 O ATOM 1351 OD2 ASP B 6 -3.215 -2.429 3.721 1.00 2.53 O ATOM 0 H ASP B 6 -2.365 0.014 0.448 1.00 1.74 H new ATOM 0 HA ASP B 6 -1.127 -2.482 1.091 1.00 1.77 H new ATOM 0 HB2 ASP B 6 -4.035 -1.641 0.852 1.00 2.16 H new ATOM 0 HB3 ASP B 6 -3.515 -3.221 1.406 1.00 2.16 H new ATOM 1356 N LEU B 7 -1.353 -3.752 -1.034 1.00 1.42 N ATOM 1357 CA LEU B 7 -1.468 -4.506 -2.258 1.00 1.32 C ATOM 1358 C LEU B 7 -1.661 -5.985 -1.944 1.00 1.37 C ATOM 1359 O LEU B 7 -1.144 -6.860 -2.635 1.00 1.42 O ATOM 1360 CB LEU B 7 -0.227 -4.294 -3.131 1.00 1.13 C ATOM 1361 CG LEU B 7 0.250 -2.841 -3.241 1.00 1.41 C ATOM 1362 CD1 LEU B 7 1.643 -2.780 -3.842 1.00 1.77 C ATOM 1363 CD2 LEU B 7 -0.722 -2.018 -4.072 1.00 1.70 C ATOM 0 H LEU B 7 -0.606 -4.059 -0.411 1.00 1.42 H new ATOM 0 HA LEU B 7 -2.339 -4.153 -2.811 1.00 1.32 H new ATOM 0 HB2 LEU B 7 0.587 -4.898 -2.731 1.00 1.13 H new ATOM 0 HB3 LEU B 7 -0.438 -4.668 -4.133 1.00 1.13 H new ATOM 0 HG LEU B 7 0.288 -2.418 -2.237 1.00 1.41 H new ATOM 0 HD11 LEU B 7 1.964 -1.741 -3.912 1.00 1.77 H new ATOM 0 HD12 LEU B 7 2.337 -3.332 -3.208 1.00 1.77 H new ATOM 0 HD13 LEU B 7 1.629 -3.223 -4.838 1.00 1.77 H new ATOM 0 HD21 LEU B 7 -0.365 -0.990 -4.138 1.00 1.70 H new ATOM 0 HD22 LEU B 7 -0.794 -2.442 -5.074 1.00 1.70 H new ATOM 0 HD23 LEU B 7 -1.705 -2.031 -3.601 1.00 1.70 H new