USER MOD reduce.3.24.130724 H: found=0, std=0, add=1419, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1415 hydrogens (21 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 151 GLN :FLIP amide:sc= -0.363 F(o=-2.7!,f=-0.36) USER MOD Set 1.2: A 155 GLN : amide:sc= 0 K(o=-0.36,f=-0.92) USER MOD Set 2.1: A 120 THR OG1 : rot -51:sc= 1.48 USER MOD Set 2.2: A 134 SER OG : rot -110:sc= 0.81 USER MOD Set 3.1: A 92 HIS : no HD1:sc= -0.143 K(o=-0.21,f=-1) USER MOD Set 3.2: A 94 MET CE :methyl -162:sc= -0.0657 (180deg=-0.234) USER MOD Set 4.1: A 84 ASN : amide:sc= -0.109 K(o=-0.11,f=-4.8!) USER MOD Set 4.2: A 87 ASN : amide:sc= 0 K(o=-0.11,f=-2.6!) USER MOD Set 5.1: A 35 GLN : amide:sc= 1.4 K(o=1.7,f=-0.22) USER MOD Set 5.2: A 36 GLN : amide:sc= 0.271 K(o=1.7,f=0.75) USER MOD Set 6.1: A 1 MET N :NH3+ -113:sc= 0.0708 (180deg=-0.263) USER MOD Set 6.2: A 2 SER OG : rot 180:sc= 0.213 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 81:sc= 0.0781 USER MOD Single : A 13 MET CE :methyl -169:sc= 0 (180deg=-0.228) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl 175:sc= -0.0889 (180deg=-0.173) USER MOD Single : A 22 THR OG1 : rot -57:sc= 0.523 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.0044) USER MOD Single : A 33 GLN : amide:sc=-0.00758 X(o=-0.0076,f=-0.14) USER MOD Single : A 39 TYR OH : rot 100:sc= 0.0845 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -63:sc= 1.24 USER MOD Single : A 43 SER OG : rot -160:sc= 0 USER MOD Single : A 45 CYS SG : rot 105:sc= 0.00126 USER MOD Single : A 48 HIS : no HE2:sc= 0.0994 K(o=0.099,f=-2.6!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -143:sc= 2.12 USER MOD Single : A 62 ASN : amide:sc= 0.245 K(o=0.25,f=-0.73) USER MOD Single : A 63 TYR OH : rot 30:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot -15:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN : amide:sc= 0.447 K(o=0.45,f=-3.6!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 113 HIS : no HE2:sc= 0.208 K(o=0.21,f=-4!) USER MOD Single : A 121 GLN : amide:sc= -1.3 K(o=-1.3,f=-6.9!) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 177:sc= 0 (180deg=-0.0145) USER MOD Single : A 136 SER OG : rot -110:sc= 1.14 USER MOD Single : A 138 CYS SG : rot -72:sc= 0.262 USER MOD Single : A 139 SER OG : rot 180:sc= 0.137 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.17) USER MOD Single : A 154 MET CE :methyl -136:sc= -0.393 (180deg=-0.931) USER MOD Single : A 161 SER OG : rot -140:sc= 0 USER MOD Single : A 163 MET CE :methyl -108:sc= -0.146 (180deg=-0.575) USER MOD Single : A 166 MET CE :methyl -179:sc= 0 (180deg=-0.00041) USER MOD Single : A 169 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.899 28.867 5.789 1.00 8.38 N ATOM 2 CA MET A 1 4.601 29.400 5.289 1.00 8.61 C ATOM 3 C MET A 1 3.615 28.237 5.131 1.00 8.66 C ATOM 4 O MET A 1 3.148 27.918 4.037 1.00 9.94 O ATOM 5 CB MET A 1 4.785 30.224 3.997 1.00 9.82 C ATOM 6 CG MET A 1 5.692 31.441 4.236 1.00 10.12 C ATOM 7 SD MET A 1 5.991 32.477 2.779 1.00 11.46 S ATOM 8 CE MET A 1 7.254 33.575 3.482 1.00 11.43 C ATOM 0 H1 MET A 1 6.070 29.217 6.753 1.00 8.38 H new ATOM 0 H2 MET A 1 5.867 27.828 5.799 1.00 8.38 H new ATOM 0 H3 MET A 1 6.668 29.184 5.165 1.00 8.38 H new ATOM 0 HA MET A 1 4.184 30.099 6.014 1.00 8.61 H new ATOM 0 HB2 MET A 1 5.216 29.594 3.219 1.00 9.82 H new ATOM 0 HB3 MET A 1 3.813 30.558 3.634 1.00 9.82 H new ATOM 0 HG2 MET A 1 5.247 32.058 5.016 1.00 10.12 H new ATOM 0 HG3 MET A 1 6.652 31.090 4.616 1.00 10.12 H new ATOM 0 HE1 MET A 1 7.571 34.295 2.728 1.00 11.43 H new ATOM 0 HE2 MET A 1 6.839 34.106 4.339 1.00 11.43 H new ATOM 0 HE3 MET A 1 8.112 32.984 3.802 1.00 11.43 H new ATOM 20 N SER A 2 3.369 27.540 6.243 1.00 7.49 N ATOM 21 CA SER A 2 3.211 26.070 6.339 1.00 7.44 C ATOM 22 C SER A 2 3.514 25.607 7.787 1.00 6.06 C ATOM 23 O SER A 2 4.163 24.589 8.029 1.00 6.41 O ATOM 24 CB SER A 2 4.107 25.332 5.313 1.00 8.56 C ATOM 25 OG SER A 2 5.467 25.762 5.387 1.00 9.07 O ATOM 0 H SER A 2 3.268 27.998 7.149 1.00 7.49 H new ATOM 0 HA SER A 2 2.179 25.816 6.096 1.00 7.44 H new ATOM 0 HB2 SER A 2 4.056 24.258 5.492 1.00 8.56 H new ATOM 0 HB3 SER A 2 3.726 25.506 4.307 1.00 8.56 H new ATOM 0 HG SER A 2 6.001 25.273 4.727 1.00 9.07 H new ATOM 31 N ASP A 3 3.132 26.423 8.775 1.00 4.91 N ATOM 32 CA ASP A 3 3.715 26.478 10.115 1.00 3.99 C ATOM 33 C ASP A 3 2.643 26.040 11.114 1.00 3.58 C ATOM 34 O ASP A 3 1.655 26.747 11.323 1.00 4.61 O ATOM 35 CB ASP A 3 4.228 27.905 10.396 1.00 4.19 C ATOM 36 CG ASP A 3 5.081 28.455 9.244 1.00 5.57 C ATOM 37 OD1 ASP A 3 6.311 28.226 9.218 1.00 6.04 O ATOM 38 OD2 ASP A 3 4.503 29.082 8.324 1.00 6.68 O ATOM 0 H ASP A 3 2.373 27.093 8.654 1.00 4.91 H new ATOM 0 HA ASP A 3 4.570 25.808 10.205 1.00 3.99 H new ATOM 0 HB2 ASP A 3 3.379 28.567 10.565 1.00 4.19 H new ATOM 0 HB3 ASP A 3 4.818 27.903 11.313 1.00 4.19 H new ATOM 43 N LYS A 4 2.819 24.812 11.617 1.00 2.65 N ATOM 44 CA LYS A 4 1.826 23.956 12.315 1.00 2.35 C ATOM 45 C LYS A 4 0.942 23.181 11.303 1.00 2.04 C ATOM 46 O LYS A 4 0.094 22.373 11.682 1.00 1.88 O ATOM 47 CB LYS A 4 1.006 24.785 13.331 1.00 2.54 C ATOM 48 CG LYS A 4 0.365 23.978 14.471 1.00 2.41 C ATOM 49 CD LYS A 4 -0.395 24.894 15.446 1.00 2.57 C ATOM 50 CE LYS A 4 -1.645 25.511 14.794 1.00 3.97 C ATOM 51 NZ LYS A 4 -2.284 26.529 15.666 1.00 4.48 N ATOM 0 H LYS A 4 3.724 24.347 11.546 1.00 2.65 H new ATOM 0 HA LYS A 4 2.359 23.199 12.890 1.00 2.35 H new ATOM 0 HB2 LYS A 4 1.657 25.543 13.766 1.00 2.54 H new ATOM 0 HB3 LYS A 4 0.218 25.312 12.793 1.00 2.54 H new ATOM 0 HG2 LYS A 4 -0.319 23.238 14.056 1.00 2.41 H new ATOM 0 HG3 LYS A 4 1.138 23.430 15.011 1.00 2.41 H new ATOM 0 HD2 LYS A 4 -0.689 24.323 16.327 1.00 2.57 H new ATOM 0 HD3 LYS A 4 0.267 25.690 15.788 1.00 2.57 H new ATOM 0 HE2 LYS A 4 -1.369 25.969 13.844 1.00 3.97 H new ATOM 0 HE3 LYS A 4 -2.364 24.723 14.571 1.00 3.97 H new ATOM 0 HZ1 LYS A 4 -3.122 26.919 15.188 1.00 4.48 H new ATOM 0 HZ2 LYS A 4 -2.571 26.087 16.563 1.00 4.48 H new ATOM 0 HZ3 LYS A 4 -1.608 27.295 15.859 1.00 4.48 H new ATOM 65 N ASP A 5 1.154 23.398 10.001 1.00 2.08 N ATOM 66 CA ASP A 5 0.356 22.856 8.895 1.00 1.90 C ATOM 67 C ASP A 5 0.400 21.321 8.830 1.00 1.66 C ATOM 68 O ASP A 5 -0.648 20.700 8.714 1.00 1.42 O ATOM 69 CB ASP A 5 0.862 23.490 7.590 1.00 2.18 C ATOM 70 CG ASP A 5 -0.053 23.238 6.379 1.00 3.04 C ATOM 71 OD1 ASP A 5 -0.115 22.089 5.887 1.00 3.57 O ATOM 72 OD2 ASP A 5 -0.669 24.216 5.894 1.00 3.87 O ATOM 0 H ASP A 5 1.922 23.984 9.674 1.00 2.08 H new ATOM 0 HA ASP A 5 -0.692 23.108 9.055 1.00 1.90 H new ATOM 0 HB2 ASP A 5 0.967 24.565 7.737 1.00 2.18 H new ATOM 0 HB3 ASP A 5 1.856 23.100 7.370 1.00 2.18 H new ATOM 77 N PHE A 6 1.579 20.704 8.987 1.00 1.76 N ATOM 78 CA PHE A 6 1.744 19.242 9.000 1.00 1.63 C ATOM 79 C PHE A 6 1.032 18.596 10.200 1.00 1.50 C ATOM 80 O PHE A 6 0.366 17.572 10.050 1.00 1.31 O ATOM 81 CB PHE A 6 3.246 18.900 8.990 1.00 1.81 C ATOM 82 CG PHE A 6 3.571 17.517 9.533 1.00 2.03 C ATOM 83 CD1 PHE A 6 3.244 16.362 8.795 1.00 3.18 C ATOM 84 CD2 PHE A 6 4.117 17.386 10.826 1.00 2.01 C ATOM 85 CE1 PHE A 6 3.459 15.087 9.351 1.00 3.81 C ATOM 86 CE2 PHE A 6 4.333 16.112 11.377 1.00 2.73 C ATOM 87 CZ PHE A 6 4.007 14.960 10.639 1.00 3.45 C ATOM 0 H PHE A 6 2.456 21.211 9.110 1.00 1.76 H new ATOM 0 HA PHE A 6 1.276 18.831 8.105 1.00 1.63 H new ATOM 0 HB2 PHE A 6 3.618 18.974 7.968 1.00 1.81 H new ATOM 0 HB3 PHE A 6 3.781 19.645 9.579 1.00 1.81 H new ATOM 0 HD1 PHE A 6 2.828 16.455 7.803 1.00 3.18 H new ATOM 0 HD2 PHE A 6 4.370 18.268 11.395 1.00 2.01 H new ATOM 0 HE1 PHE A 6 3.202 14.203 8.786 1.00 3.81 H new ATOM 0 HE2 PHE A 6 4.750 16.017 12.369 1.00 2.73 H new ATOM 0 HZ PHE A 6 4.177 13.980 11.061 1.00 3.45 H new ATOM 97 N PHE A 7 1.135 19.215 11.380 1.00 1.63 N ATOM 98 CA PHE A 7 0.445 18.775 12.594 1.00 1.61 C ATOM 99 C PHE A 7 -1.072 18.881 12.420 1.00 1.43 C ATOM 100 O PHE A 7 -1.807 17.971 12.796 1.00 1.31 O ATOM 101 CB PHE A 7 0.934 19.632 13.772 1.00 1.84 C ATOM 102 CG PHE A 7 0.114 19.487 15.042 1.00 1.87 C ATOM 103 CD1 PHE A 7 0.383 18.447 15.951 1.00 2.44 C ATOM 104 CD2 PHE A 7 -0.936 20.389 15.301 1.00 2.51 C ATOM 105 CE1 PHE A 7 -0.395 18.313 17.116 1.00 2.55 C ATOM 106 CE2 PHE A 7 -1.716 20.251 16.463 1.00 2.51 C ATOM 107 CZ PHE A 7 -1.445 19.214 17.371 1.00 2.03 C ATOM 0 H PHE A 7 1.708 20.047 11.520 1.00 1.63 H new ATOM 0 HA PHE A 7 0.673 17.728 12.793 1.00 1.61 H new ATOM 0 HB2 PHE A 7 1.969 19.369 13.991 1.00 1.84 H new ATOM 0 HB3 PHE A 7 0.929 20.679 13.469 1.00 1.84 H new ATOM 0 HD1 PHE A 7 1.186 17.752 15.755 1.00 2.44 H new ATOM 0 HD2 PHE A 7 -1.143 21.189 14.605 1.00 2.51 H new ATOM 0 HE1 PHE A 7 -0.186 17.517 17.815 1.00 2.55 H new ATOM 0 HE2 PHE A 7 -2.523 20.942 16.657 1.00 2.51 H new ATOM 0 HZ PHE A 7 -2.042 19.108 18.264 1.00 2.03 H new ATOM 117 N SER A 8 -1.543 19.967 11.813 1.00 1.46 N ATOM 118 CA SER A 8 -2.967 20.192 11.547 1.00 1.34 C ATOM 119 C SER A 8 -3.496 19.219 10.481 1.00 1.13 C ATOM 120 O SER A 8 -4.567 18.635 10.642 1.00 1.00 O ATOM 121 CB SER A 8 -3.183 21.651 11.121 1.00 1.49 C ATOM 122 OG SER A 8 -4.567 21.970 11.086 1.00 1.44 O ATOM 0 H SER A 8 -0.943 20.725 11.487 1.00 1.46 H new ATOM 0 HA SER A 8 -3.530 20.002 12.461 1.00 1.34 H new ATOM 0 HB2 SER A 8 -2.670 22.316 11.815 1.00 1.49 H new ATOM 0 HB3 SER A 8 -2.743 21.816 10.138 1.00 1.49 H new ATOM 0 HG SER A 8 -4.681 22.905 10.814 1.00 1.44 H new ATOM 128 N TRP A 9 -2.705 18.948 9.437 1.00 1.13 N ATOM 129 CA TRP A 9 -3.028 18.000 8.369 1.00 0.99 C ATOM 130 C TRP A 9 -3.157 16.595 8.956 1.00 0.84 C ATOM 131 O TRP A 9 -4.155 15.921 8.712 1.00 0.71 O ATOM 132 CB TRP A 9 -1.946 18.070 7.271 1.00 1.10 C ATOM 133 CG TRP A 9 -2.215 17.308 6.002 1.00 1.11 C ATOM 134 CD1 TRP A 9 -2.432 15.975 5.902 1.00 1.50 C ATOM 135 CD2 TRP A 9 -2.264 17.811 4.627 1.00 1.99 C ATOM 136 NE1 TRP A 9 -2.677 15.633 4.587 1.00 1.27 N ATOM 137 CE2 TRP A 9 -2.585 16.727 3.755 1.00 1.63 C ATOM 138 CE3 TRP A 9 -2.060 19.072 4.023 1.00 3.48 C ATOM 139 CZ2 TRP A 9 -2.726 16.887 2.368 1.00 2.54 C ATOM 140 CZ3 TRP A 9 -2.180 19.243 2.629 1.00 4.52 C ATOM 141 CH2 TRP A 9 -2.521 18.158 1.802 1.00 4.03 C ATOM 0 H TRP A 9 -1.797 19.396 9.310 1.00 1.13 H new ATOM 0 HA TRP A 9 -3.983 18.258 7.911 1.00 0.99 H new ATOM 0 HB2 TRP A 9 -1.793 19.118 7.012 1.00 1.10 H new ATOM 0 HB3 TRP A 9 -1.010 17.706 7.694 1.00 1.10 H new ATOM 0 HD1 TRP A 9 -2.416 15.281 6.730 1.00 1.50 H new ATOM 0 HE1 TRP A 9 -2.898 14.689 4.271 1.00 1.27 H new ATOM 0 HE3 TRP A 9 -1.807 19.921 4.641 1.00 3.48 H new ATOM 0 HZ2 TRP A 9 -2.988 16.046 1.744 1.00 2.54 H new ATOM 0 HZ3 TRP A 9 -2.009 20.216 2.192 1.00 4.52 H new ATOM 0 HH2 TRP A 9 -2.625 18.300 0.736 1.00 4.03 H new ATOM 152 N ARG A 10 -2.205 16.187 9.805 1.00 0.91 N ATOM 153 CA ARG A 10 -2.245 14.903 10.517 1.00 0.83 C ATOM 154 C ARG A 10 -3.468 14.845 11.430 1.00 0.83 C ATOM 155 O ARG A 10 -4.195 13.857 11.402 1.00 0.76 O ATOM 156 CB ARG A 10 -0.942 14.707 11.325 1.00 0.96 C ATOM 157 CG ARG A 10 -0.939 13.414 12.166 1.00 0.96 C ATOM 158 CD ARG A 10 0.159 13.384 13.233 1.00 1.61 C ATOM 159 NE ARG A 10 -0.119 12.309 14.206 1.00 1.81 N ATOM 160 CZ ARG A 10 0.365 12.201 15.438 1.00 2.44 C ATOM 161 NH1 ARG A 10 1.309 12.999 15.893 1.00 2.83 N ATOM 162 NH2 ARG A 10 -0.107 11.273 16.242 1.00 3.38 N ATOM 0 H ARG A 10 -1.378 16.744 10.019 1.00 0.91 H new ATOM 0 HA ARG A 10 -2.324 14.093 9.791 1.00 0.83 H new ATOM 0 HB2 ARG A 10 -0.095 14.689 10.639 1.00 0.96 H new ATOM 0 HB3 ARG A 10 -0.799 15.563 11.985 1.00 0.96 H new ATOM 0 HG2 ARG A 10 -1.909 13.302 12.650 1.00 0.96 H new ATOM 0 HG3 ARG A 10 -0.814 12.558 11.503 1.00 0.96 H new ATOM 0 HD2 ARG A 10 1.130 13.221 12.765 1.00 1.61 H new ATOM 0 HD3 ARG A 10 0.209 14.346 13.744 1.00 1.61 H new ATOM 0 HE ARG A 10 -0.751 11.570 13.899 1.00 1.81 H new ATOM 0 HH11 ARG A 10 1.692 13.729 15.293 1.00 2.83 H new ATOM 0 HH12 ARG A 10 1.657 12.887 16.845 1.00 2.83 H new ATOM 0 HH21 ARG A 10 -0.840 10.642 15.918 1.00 3.38 H new ATOM 0 HH22 ARG A 10 0.260 11.184 17.190 1.00 3.38 H new ATOM 176 N ARG A 11 -3.735 15.905 12.195 1.00 0.95 N ATOM 177 CA ARG A 11 -4.864 15.979 13.129 1.00 0.99 C ATOM 178 C ARG A 11 -6.207 15.832 12.400 1.00 0.83 C ATOM 179 O ARG A 11 -7.049 15.037 12.824 1.00 0.87 O ATOM 180 CB ARG A 11 -4.754 17.303 13.910 1.00 1.16 C ATOM 181 CG ARG A 11 -5.965 17.600 14.802 1.00 1.38 C ATOM 182 CD ARG A 11 -5.813 18.943 15.526 1.00 2.14 C ATOM 183 NE ARG A 11 -7.076 19.328 16.181 1.00 2.37 N ATOM 184 CZ ARG A 11 -8.122 19.918 15.605 1.00 3.30 C ATOM 185 NH1 ARG A 11 -8.116 20.280 14.336 1.00 4.62 N ATOM 186 NH2 ARG A 11 -9.208 20.148 16.308 1.00 3.59 N ATOM 0 H ARG A 11 -3.165 16.751 12.184 1.00 0.95 H new ATOM 0 HA ARG A 11 -4.824 15.148 13.834 1.00 0.99 H new ATOM 0 HB2 ARG A 11 -3.857 17.275 14.529 1.00 1.16 H new ATOM 0 HB3 ARG A 11 -4.627 18.122 13.202 1.00 1.16 H new ATOM 0 HG2 ARG A 11 -6.871 17.613 14.196 1.00 1.38 H new ATOM 0 HG3 ARG A 11 -6.083 16.802 15.535 1.00 1.38 H new ATOM 0 HD2 ARG A 11 -5.019 18.873 16.269 1.00 2.14 H new ATOM 0 HD3 ARG A 11 -5.517 19.714 14.814 1.00 2.14 H new ATOM 0 HE ARG A 11 -7.157 19.122 17.177 1.00 2.37 H new ATOM 0 HH11 ARG A 11 -7.291 20.110 13.761 1.00 4.62 H new ATOM 0 HH12 ARG A 11 -8.937 20.730 13.930 1.00 4.62 H new ATOM 0 HH21 ARG A 11 -9.247 19.875 17.290 1.00 3.59 H new ATOM 0 HH22 ARG A 11 -10.012 20.600 15.872 1.00 3.59 H new ATOM 200 N THR A 12 -6.382 16.542 11.280 1.00 0.72 N ATOM 201 CA THR A 12 -7.594 16.492 10.447 1.00 0.63 C ATOM 202 C THR A 12 -7.736 15.126 9.799 1.00 0.58 C ATOM 203 O THR A 12 -8.807 14.537 9.864 1.00 0.65 O ATOM 204 CB THR A 12 -7.564 17.623 9.414 1.00 0.65 C ATOM 205 OG1 THR A 12 -7.652 18.835 10.133 1.00 0.74 O ATOM 206 CG2 THR A 12 -8.742 17.578 8.437 1.00 0.69 C ATOM 0 H THR A 12 -5.673 17.180 10.918 1.00 0.72 H new ATOM 0 HA THR A 12 -8.473 16.641 11.074 1.00 0.63 H new ATOM 0 HB THR A 12 -6.650 17.526 8.828 1.00 0.65 H new ATOM 0 HG1 THR A 12 -6.767 19.074 10.480 1.00 0.74 H new ATOM 0 HG21 THR A 12 -8.662 18.405 7.732 1.00 0.69 H new ATOM 0 HG22 THR A 12 -8.727 16.634 7.892 1.00 0.69 H new ATOM 0 HG23 THR A 12 -9.677 17.663 8.991 1.00 0.69 H new ATOM 214 N MET A 13 -6.652 14.576 9.251 1.00 0.56 N ATOM 215 CA MET A 13 -6.640 13.239 8.644 1.00 0.55 C ATOM 216 C MET A 13 -6.984 12.155 9.671 1.00 0.61 C ATOM 217 O MET A 13 -7.828 11.307 9.401 1.00 0.61 O ATOM 218 CB MET A 13 -5.237 12.973 8.072 1.00 0.61 C ATOM 219 CG MET A 13 -4.996 13.642 6.715 1.00 1.37 C ATOM 220 SD MET A 13 -5.917 12.924 5.334 1.00 1.29 S ATOM 221 CE MET A 13 -6.990 14.333 4.966 1.00 1.62 C ATOM 0 H MET A 13 -5.748 15.048 9.214 1.00 0.56 H new ATOM 0 HA MET A 13 -7.392 13.206 7.856 1.00 0.55 H new ATOM 0 HB2 MET A 13 -4.490 13.329 8.782 1.00 0.61 H new ATOM 0 HB3 MET A 13 -5.093 11.898 7.969 1.00 0.61 H new ATOM 0 HG2 MET A 13 -5.256 14.697 6.796 1.00 1.37 H new ATOM 0 HG3 MET A 13 -3.931 13.593 6.487 1.00 1.37 H new ATOM 0 HE1 MET A 13 -7.770 14.025 4.269 1.00 1.62 H new ATOM 0 HE2 MET A 13 -7.448 14.692 5.888 1.00 1.62 H new ATOM 0 HE3 MET A 13 -6.400 15.133 4.519 1.00 1.62 H new ATOM 231 N LEU A 14 -6.402 12.202 10.872 1.00 0.73 N ATOM 232 CA LEU A 14 -6.643 11.243 11.955 1.00 0.91 C ATOM 233 C LEU A 14 -8.108 11.295 12.421 1.00 0.95 C ATOM 234 O LEU A 14 -8.731 10.249 12.613 1.00 1.02 O ATOM 235 CB LEU A 14 -5.609 11.539 13.064 1.00 1.19 C ATOM 236 CG LEU A 14 -5.618 10.632 14.313 1.00 1.03 C ATOM 237 CD1 LEU A 14 -5.754 9.137 14.014 1.00 2.16 C ATOM 238 CD2 LEU A 14 -4.299 10.817 15.085 1.00 2.32 C ATOM 0 H LEU A 14 -5.732 12.928 11.126 1.00 0.73 H new ATOM 0 HA LEU A 14 -6.504 10.214 11.625 1.00 0.91 H new ATOM 0 HB2 LEU A 14 -4.615 11.487 12.619 1.00 1.19 H new ATOM 0 HB3 LEU A 14 -5.757 12.567 13.395 1.00 1.19 H new ATOM 0 HG LEU A 14 -6.495 10.937 14.883 1.00 1.03 H new ATOM 0 HD11 LEU A 14 -5.751 8.577 14.949 1.00 2.16 H new ATOM 0 HD12 LEU A 14 -6.690 8.955 13.485 1.00 2.16 H new ATOM 0 HD13 LEU A 14 -4.918 8.812 13.394 1.00 2.16 H new ATOM 0 HD21 LEU A 14 -4.302 10.178 15.968 1.00 2.32 H new ATOM 0 HD22 LEU A 14 -3.461 10.546 14.443 1.00 2.32 H new ATOM 0 HD23 LEU A 14 -4.200 11.858 15.391 1.00 2.32 H new ATOM 250 N LEU A 15 -8.696 12.494 12.492 1.00 0.93 N ATOM 251 CA LEU A 15 -10.125 12.692 12.754 1.00 0.99 C ATOM 252 C LEU A 15 -10.967 12.081 11.621 1.00 0.94 C ATOM 253 O LEU A 15 -11.866 11.293 11.907 1.00 1.09 O ATOM 254 CB LEU A 15 -10.357 14.201 12.996 1.00 0.96 C ATOM 255 CG LEU A 15 -11.671 14.630 13.683 1.00 1.04 C ATOM 256 CD1 LEU A 15 -12.902 14.396 12.804 1.00 1.06 C ATOM 257 CD2 LEU A 15 -11.872 13.952 15.047 1.00 1.19 C ATOM 0 H LEU A 15 -8.184 13.367 12.367 1.00 0.93 H new ATOM 0 HA LEU A 15 -10.453 12.167 13.651 1.00 0.99 H new ATOM 0 HB2 LEU A 15 -9.528 14.574 13.598 1.00 0.96 H new ATOM 0 HB3 LEU A 15 -10.304 14.706 12.032 1.00 0.96 H new ATOM 0 HG LEU A 15 -11.568 15.703 13.845 1.00 1.04 H new ATOM 0 HD11 LEU A 15 -13.797 14.716 13.338 1.00 1.06 H new ATOM 0 HD12 LEU A 15 -12.805 14.970 11.882 1.00 1.06 H new ATOM 0 HD13 LEU A 15 -12.982 13.336 12.565 1.00 1.06 H new ATOM 0 HD21 LEU A 15 -12.811 14.289 15.486 1.00 1.19 H new ATOM 0 HD22 LEU A 15 -11.901 12.870 14.915 1.00 1.19 H new ATOM 0 HD23 LEU A 15 -11.047 14.215 15.709 1.00 1.19 H new ATOM 269 N ARG A 16 -10.620 12.325 10.350 1.00 0.79 N ATOM 270 CA ARG A 16 -11.285 11.727 9.179 1.00 0.79 C ATOM 271 C ARG A 16 -11.233 10.196 9.189 1.00 0.82 C ATOM 272 O ARG A 16 -12.257 9.549 8.979 1.00 0.91 O ATOM 273 CB ARG A 16 -10.682 12.246 7.867 1.00 0.69 C ATOM 274 CG ARG A 16 -11.115 13.685 7.561 1.00 0.74 C ATOM 275 CD ARG A 16 -10.719 14.071 6.132 1.00 0.79 C ATOM 276 NE ARG A 16 -11.472 13.333 5.099 1.00 1.58 N ATOM 277 CZ ARG A 16 -12.786 13.266 4.914 1.00 2.64 C ATOM 278 NH1 ARG A 16 -13.638 14.051 5.543 1.00 3.56 N ATOM 279 NH2 ARG A 16 -13.257 12.374 4.075 1.00 3.57 N ATOM 0 H ARG A 16 -9.857 12.954 10.100 1.00 0.79 H new ATOM 0 HA ARG A 16 -12.330 12.031 9.243 1.00 0.79 H new ATOM 0 HB2 ARG A 16 -9.595 12.200 7.925 1.00 0.69 H new ATOM 0 HB3 ARG A 16 -10.985 11.595 7.047 1.00 0.69 H new ATOM 0 HG2 ARG A 16 -12.194 13.781 7.684 1.00 0.74 H new ATOM 0 HG3 ARG A 16 -10.651 14.370 8.271 1.00 0.74 H new ATOM 0 HD2 ARG A 16 -10.879 15.140 5.994 1.00 0.79 H new ATOM 0 HD3 ARG A 16 -9.653 13.888 5.995 1.00 0.79 H new ATOM 0 HE ARG A 16 -10.906 12.802 4.437 1.00 1.58 H new ATOM 0 HH11 ARG A 16 -13.296 14.748 6.205 1.00 3.56 H new ATOM 0 HH12 ARG A 16 -14.639 13.962 5.368 1.00 3.56 H new ATOM 0 HH21 ARG A 16 -12.618 11.751 3.581 1.00 3.57 H new ATOM 0 HH22 ARG A 16 -14.262 12.304 3.917 1.00 3.57 H new ATOM 293 N PHE A 17 -10.074 9.600 9.478 1.00 0.77 N ATOM 294 CA PHE A 17 -9.906 8.146 9.562 1.00 0.79 C ATOM 295 C PHE A 17 -10.716 7.531 10.712 1.00 0.95 C ATOM 296 O PHE A 17 -11.257 6.438 10.551 1.00 1.01 O ATOM 297 CB PHE A 17 -8.419 7.787 9.626 1.00 0.74 C ATOM 298 CG PHE A 17 -7.731 7.781 8.269 1.00 0.60 C ATOM 299 CD1 PHE A 17 -7.998 6.746 7.348 1.00 1.72 C ATOM 300 CD2 PHE A 17 -6.732 8.731 7.974 1.00 1.66 C ATOM 301 CE1 PHE A 17 -7.273 6.664 6.145 1.00 1.84 C ATOM 302 CE2 PHE A 17 -6.008 8.653 6.774 1.00 1.57 C ATOM 303 CZ PHE A 17 -6.280 7.620 5.865 1.00 0.70 C ATOM 0 H PHE A 17 -9.215 10.119 9.663 1.00 0.77 H new ATOM 0 HA PHE A 17 -10.314 7.704 8.653 1.00 0.79 H new ATOM 0 HB2 PHE A 17 -7.911 8.498 10.278 1.00 0.74 H new ATOM 0 HB3 PHE A 17 -8.311 6.803 10.082 1.00 0.74 H new ATOM 0 HD1 PHE A 17 -8.761 6.014 7.567 1.00 1.72 H new ATOM 0 HD2 PHE A 17 -6.522 9.524 8.676 1.00 1.66 H new ATOM 0 HE1 PHE A 17 -7.478 5.871 5.441 1.00 1.84 H new ATOM 0 HE2 PHE A 17 -5.245 9.385 6.552 1.00 1.57 H new ATOM 0 HZ PHE A 17 -5.722 7.558 4.942 1.00 0.70 H new ATOM 313 N GLN A 18 -10.868 8.238 11.838 1.00 1.03 N ATOM 314 CA GLN A 18 -11.797 7.839 12.902 1.00 1.17 C ATOM 315 C GLN A 18 -13.271 8.007 12.464 1.00 1.21 C ATOM 316 O GLN A 18 -14.132 7.245 12.903 1.00 1.31 O ATOM 317 CB GLN A 18 -11.459 8.640 14.178 1.00 1.26 C ATOM 318 CG GLN A 18 -11.793 7.920 15.498 1.00 1.57 C ATOM 319 CD GLN A 18 -13.260 8.022 15.929 1.00 1.69 C ATOM 320 OE1 GLN A 18 -13.752 9.079 16.308 1.00 1.99 O ATOM 321 NE2 GLN A 18 -14.011 6.939 15.920 1.00 2.84 N ATOM 0 H GLN A 18 -10.355 9.097 12.037 1.00 1.03 H new ATOM 0 HA GLN A 18 -11.678 6.777 13.117 1.00 1.17 H new ATOM 0 HB2 GLN A 18 -10.396 8.879 14.169 1.00 1.26 H new ATOM 0 HB3 GLN A 18 -11.999 9.587 14.150 1.00 1.26 H new ATOM 0 HG2 GLN A 18 -11.530 6.867 15.398 1.00 1.57 H new ATOM 0 HG3 GLN A 18 -11.166 8.332 16.289 1.00 1.57 H new ATOM 0 HE21 GLN A 18 -13.620 6.050 15.608 1.00 2.84 H new ATOM 0 HE22 GLN A 18 -14.983 6.990 16.225 1.00 2.84 H new ATOM 330 N ARG A 19 -13.562 8.953 11.558 1.00 1.17 N ATOM 331 CA ARG A 19 -14.910 9.263 11.058 1.00 1.25 C ATOM 332 C ARG A 19 -15.489 8.216 10.091 1.00 1.26 C ATOM 333 O ARG A 19 -16.712 8.138 9.966 1.00 1.43 O ATOM 334 CB ARG A 19 -14.905 10.641 10.358 1.00 1.23 C ATOM 335 CG ARG A 19 -16.149 11.466 10.710 1.00 1.11 C ATOM 336 CD ARG A 19 -16.014 12.084 12.109 1.00 1.22 C ATOM 337 NE ARG A 19 -17.335 12.422 12.669 1.00 1.38 N ATOM 338 CZ ARG A 19 -17.896 11.906 13.758 1.00 2.28 C ATOM 339 NH1 ARG A 19 -17.278 11.033 14.530 1.00 3.45 N ATOM 340 NH2 ARG A 19 -19.114 12.271 14.093 1.00 2.55 N ATOM 0 H ARG A 19 -12.842 9.542 11.140 1.00 1.17 H new ATOM 0 HA ARG A 19 -15.554 9.263 11.937 1.00 1.25 H new ATOM 0 HB2 ARG A 19 -14.010 11.192 10.648 1.00 1.23 H new ATOM 0 HB3 ARG A 19 -14.857 10.500 9.278 1.00 1.23 H new ATOM 0 HG2 ARG A 19 -16.289 12.255 9.971 1.00 1.11 H new ATOM 0 HG3 ARG A 19 -17.035 10.832 10.671 1.00 1.11 H new ATOM 0 HD2 ARG A 19 -15.503 11.385 12.771 1.00 1.22 H new ATOM 0 HD3 ARG A 19 -15.398 12.981 12.056 1.00 1.22 H new ATOM 0 HE ARG A 19 -17.876 13.127 12.168 1.00 1.38 H new ATOM 0 HH11 ARG A 19 -16.332 10.729 14.300 1.00 3.45 H new ATOM 0 HH12 ARG A 19 -17.746 10.662 15.357 1.00 3.45 H new ATOM 0 HH21 ARG A 19 -19.621 12.945 13.519 1.00 2.55 H new ATOM 0 HH22 ARG A 19 -19.552 11.880 14.927 1.00 2.55 H new ATOM 354 N MET A 20 -14.652 7.438 9.391 1.00 1.11 N ATOM 355 CA MET A 20 -15.089 6.442 8.396 1.00 1.14 C ATOM 356 C MET A 20 -16.077 5.437 9.006 1.00 1.42 C ATOM 357 O MET A 20 -15.788 4.820 10.035 1.00 2.58 O ATOM 358 CB MET A 20 -13.897 5.682 7.792 1.00 0.94 C ATOM 359 CG MET A 20 -12.728 6.560 7.330 1.00 0.97 C ATOM 360 SD MET A 20 -13.110 7.932 6.218 1.00 1.13 S ATOM 361 CE MET A 20 -11.407 8.422 5.854 1.00 0.83 C ATOM 0 H MET A 20 -13.639 7.481 9.499 1.00 1.11 H new ATOM 0 HA MET A 20 -15.590 6.995 7.602 1.00 1.14 H new ATOM 0 HB2 MET A 20 -13.527 4.972 8.532 1.00 0.94 H new ATOM 0 HB3 MET A 20 -14.251 5.100 6.941 1.00 0.94 H new ATOM 0 HG2 MET A 20 -12.243 6.969 8.216 1.00 0.97 H new ATOM 0 HG3 MET A 20 -11.999 5.918 6.835 1.00 0.97 H new ATOM 0 HE1 MET A 20 -11.408 9.212 5.103 1.00 0.83 H new ATOM 0 HE2 MET A 20 -10.931 8.787 6.764 1.00 0.83 H new ATOM 0 HE3 MET A 20 -10.854 7.562 5.476 1.00 0.83 H new ATOM 371 N GLU A 21 -17.229 5.257 8.363 1.00 0.89 N ATOM 372 CA GLU A 21 -18.269 4.300 8.767 1.00 0.96 C ATOM 373 C GLU A 21 -18.265 3.029 7.896 1.00 0.87 C ATOM 374 O GLU A 21 -18.951 2.059 8.231 1.00 0.86 O ATOM 375 CB GLU A 21 -19.651 4.975 8.736 1.00 1.24 C ATOM 376 CG GLU A 21 -19.808 6.004 9.868 1.00 2.35 C ATOM 377 CD GLU A 21 -21.208 6.647 9.931 1.00 2.61 C ATOM 378 OE1 GLU A 21 -22.216 6.007 9.547 1.00 2.31 O ATOM 379 OE2 GLU A 21 -21.316 7.804 10.404 1.00 4.01 O ATOM 0 H GLU A 21 -17.476 5.784 7.525 1.00 0.89 H new ATOM 0 HA GLU A 21 -18.046 3.986 9.787 1.00 0.96 H new ATOM 0 HB2 GLU A 21 -19.794 5.468 7.774 1.00 1.24 H new ATOM 0 HB3 GLU A 21 -20.429 4.216 8.824 1.00 1.24 H new ATOM 0 HG2 GLU A 21 -19.598 5.518 10.821 1.00 2.35 H new ATOM 0 HG3 GLU A 21 -19.063 6.789 9.740 1.00 2.35 H new ATOM 386 N THR A 22 -17.484 3.014 6.804 1.00 0.88 N ATOM 387 CA THR A 22 -17.301 1.868 5.899 1.00 0.92 C ATOM 388 C THR A 22 -15.828 1.627 5.594 1.00 0.85 C ATOM 389 O THR A 22 -15.035 2.564 5.482 1.00 0.79 O ATOM 390 CB THR A 22 -18.073 2.064 4.587 1.00 1.11 C ATOM 391 OG1 THR A 22 -17.553 3.169 3.892 1.00 1.23 O ATOM 392 CG2 THR A 22 -19.564 2.292 4.817 1.00 1.19 C ATOM 0 H THR A 22 -16.943 3.829 6.517 1.00 0.88 H new ATOM 0 HA THR A 22 -17.698 0.993 6.414 1.00 0.92 H new ATOM 0 HB THR A 22 -17.955 1.148 4.008 1.00 1.11 H new ATOM 0 HG1 THR A 22 -17.604 3.966 4.460 1.00 1.23 H new ATOM 0 HG21 THR A 22 -20.064 2.425 3.858 1.00 1.19 H new ATOM 0 HG22 THR A 22 -19.989 1.430 5.331 1.00 1.19 H new ATOM 0 HG23 THR A 22 -19.706 3.184 5.427 1.00 1.19 H new ATOM 400 N ALA A 23 -15.463 0.358 5.380 1.00 0.90 N ATOM 401 CA ALA A 23 -14.137 -0.025 4.878 1.00 0.88 C ATOM 402 C ALA A 23 -13.851 0.624 3.512 1.00 0.91 C ATOM 403 O ALA A 23 -12.706 0.944 3.193 1.00 0.88 O ATOM 404 CB ALA A 23 -14.066 -1.556 4.808 1.00 0.99 C ATOM 0 H ALA A 23 -16.081 -0.436 5.550 1.00 0.90 H new ATOM 0 HA ALA A 23 -13.366 0.338 5.558 1.00 0.88 H new ATOM 0 HB1 ALA A 23 -13.087 -1.858 4.437 1.00 0.99 H new ATOM 0 HB2 ALA A 23 -14.221 -1.973 5.803 1.00 0.99 H new ATOM 0 HB3 ALA A 23 -14.839 -1.926 4.135 1.00 0.99 H new ATOM 410 N GLU A 24 -14.912 0.854 2.733 1.00 1.03 N ATOM 411 CA GLU A 24 -14.866 1.523 1.439 1.00 1.12 C ATOM 412 C GLU A 24 -14.350 2.959 1.588 1.00 1.01 C ATOM 413 O GLU A 24 -13.407 3.322 0.895 1.00 0.99 O ATOM 414 CB GLU A 24 -16.231 1.473 0.734 1.00 1.33 C ATOM 415 CG GLU A 24 -16.800 0.047 0.646 1.00 1.40 C ATOM 416 CD GLU A 24 -18.068 -0.010 -0.221 1.00 1.75 C ATOM 417 OE1 GLU A 24 -17.967 0.141 -1.462 1.00 2.25 O ATOM 418 OE2 GLU A 24 -19.173 -0.232 0.329 1.00 2.84 O ATOM 0 H GLU A 24 -15.855 0.569 2.998 1.00 1.03 H new ATOM 0 HA GLU A 24 -14.162 0.986 0.803 1.00 1.12 H new ATOM 0 HB2 GLU A 24 -16.936 2.109 1.270 1.00 1.33 H new ATOM 0 HB3 GLU A 24 -16.132 1.883 -0.271 1.00 1.33 H new ATOM 0 HG2 GLU A 24 -16.045 -0.620 0.230 1.00 1.40 H new ATOM 0 HG3 GLU A 24 -17.029 -0.316 1.648 1.00 1.40 H new ATOM 425 N GLU A 25 -14.872 3.748 2.538 1.00 0.96 N ATOM 426 CA GLU A 25 -14.362 5.097 2.833 1.00 0.92 C ATOM 427 C GLU A 25 -12.883 5.082 3.249 1.00 0.71 C ATOM 428 O GLU A 25 -12.120 5.944 2.810 1.00 0.68 O ATOM 429 CB GLU A 25 -15.168 5.755 3.959 1.00 1.11 C ATOM 430 CG GLU A 25 -16.531 6.301 3.529 1.00 1.48 C ATOM 431 CD GLU A 25 -17.344 6.689 4.774 1.00 2.38 C ATOM 432 OE1 GLU A 25 -17.604 5.798 5.619 1.00 3.10 O ATOM 433 OE2 GLU A 25 -17.712 7.878 4.920 1.00 3.17 O ATOM 0 H GLU A 25 -15.659 3.470 3.124 1.00 0.96 H new ATOM 0 HA GLU A 25 -14.466 5.667 1.910 1.00 0.92 H new ATOM 0 HB2 GLU A 25 -15.318 5.026 4.755 1.00 1.11 H new ATOM 0 HB3 GLU A 25 -14.581 6.571 4.380 1.00 1.11 H new ATOM 0 HG2 GLU A 25 -16.399 7.169 2.883 1.00 1.48 H new ATOM 0 HG3 GLU A 25 -17.069 5.551 2.950 1.00 1.48 H new ATOM 440 N VAL A 26 -12.466 4.101 4.059 1.00 0.63 N ATOM 441 CA VAL A 26 -11.072 4.000 4.539 1.00 0.57 C ATOM 442 C VAL A 26 -10.094 3.816 3.373 1.00 0.58 C ATOM 443 O VAL A 26 -9.069 4.499 3.328 1.00 0.59 O ATOM 444 CB VAL A 26 -10.883 2.855 5.567 1.00 0.60 C ATOM 445 CG1 VAL A 26 -9.424 2.757 6.035 1.00 0.60 C ATOM 446 CG2 VAL A 26 -11.753 3.019 6.823 1.00 0.64 C ATOM 0 H VAL A 26 -13.076 3.358 4.401 1.00 0.63 H new ATOM 0 HA VAL A 26 -10.853 4.942 5.042 1.00 0.57 H new ATOM 0 HB VAL A 26 -11.186 1.952 5.037 1.00 0.60 H new ATOM 0 HG11 VAL A 26 -9.327 1.944 6.755 1.00 0.60 H new ATOM 0 HG12 VAL A 26 -8.779 2.562 5.178 1.00 0.60 H new ATOM 0 HG13 VAL A 26 -9.129 3.695 6.505 1.00 0.60 H new ATOM 0 HG21 VAL A 26 -11.573 2.185 7.502 1.00 0.64 H new ATOM 0 HG22 VAL A 26 -11.499 3.954 7.322 1.00 0.64 H new ATOM 0 HG23 VAL A 26 -12.805 3.034 6.538 1.00 0.64 H new ATOM 456 N TYR A 27 -10.409 2.940 2.409 1.00 0.65 N ATOM 457 CA TYR A 27 -9.556 2.768 1.226 1.00 0.70 C ATOM 458 C TYR A 27 -9.753 3.907 0.204 1.00 0.70 C ATOM 459 O TYR A 27 -8.814 4.324 -0.469 1.00 0.69 O ATOM 460 CB TYR A 27 -9.728 1.367 0.616 1.00 0.86 C ATOM 461 CG TYR A 27 -10.624 1.265 -0.602 1.00 0.99 C ATOM 462 CD1 TYR A 27 -10.178 1.735 -1.853 1.00 1.69 C ATOM 463 CD2 TYR A 27 -11.902 0.696 -0.487 1.00 1.78 C ATOM 464 CE1 TYR A 27 -11.015 1.664 -2.981 1.00 1.83 C ATOM 465 CE2 TYR A 27 -12.762 0.646 -1.601 1.00 1.83 C ATOM 466 CZ TYR A 27 -12.318 1.127 -2.855 1.00 1.28 C ATOM 467 OH TYR A 27 -13.141 1.066 -3.938 1.00 1.43 O ATOM 0 H TYR A 27 -11.238 2.346 2.424 1.00 0.65 H new ATOM 0 HA TYR A 27 -8.517 2.839 1.547 1.00 0.70 H new ATOM 0 HB2 TYR A 27 -8.742 0.989 0.347 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -10.123 0.706 1.387 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -9.186 2.153 -1.946 1.00 1.69 H new ATOM 0 HD2 TYR A 27 -12.228 0.294 0.461 1.00 1.78 H new ATOM 0 HE1 TYR A 27 -10.665 2.018 -3.939 1.00 1.83 H new ATOM 0 HE2 TYR A 27 -13.758 0.241 -1.498 1.00 1.83 H new ATOM 0 HH TYR A 27 -13.998 0.669 -3.676 1.00 1.43 H new ATOM 477 N HIS A 28 -10.963 4.449 0.099 1.00 0.76 N ATOM 478 CA HIS A 28 -11.298 5.555 -0.793 1.00 0.82 C ATOM 479 C HIS A 28 -10.511 6.824 -0.439 1.00 0.75 C ATOM 480 O HIS A 28 -9.977 7.455 -1.343 1.00 0.79 O ATOM 481 CB HIS A 28 -12.814 5.764 -0.744 1.00 0.95 C ATOM 482 CG HIS A 28 -13.367 6.947 -1.490 1.00 1.20 C ATOM 483 ND1 HIS A 28 -14.237 7.873 -0.963 1.00 1.41 N ATOM 484 CD2 HIS A 28 -13.239 7.226 -2.826 1.00 1.34 C ATOM 485 CE1 HIS A 28 -14.634 8.683 -1.955 1.00 1.63 C ATOM 486 NE2 HIS A 28 -14.051 8.333 -3.118 1.00 1.59 N ATOM 0 H HIS A 28 -11.759 4.122 0.647 1.00 0.76 H new ATOM 0 HA HIS A 28 -11.008 5.314 -1.816 1.00 0.82 H new ATOM 0 HB2 HIS A 28 -13.292 4.865 -1.133 1.00 0.95 H new ATOM 0 HB3 HIS A 28 -13.109 5.855 0.301 1.00 0.95 H new ATOM 0 HD2 HIS A 28 -12.622 6.688 -3.530 1.00 1.34 H new ATOM 0 HE1 HIS A 28 -15.326 9.504 -1.838 1.00 1.63 H new ATOM 0 HE2 HIS A 28 -14.175 8.781 -4.026 1.00 1.59 H new ATOM 494 N GLU A 29 -10.359 7.172 0.845 1.00 0.69 N ATOM 495 CA GLU A 29 -9.554 8.325 1.270 1.00 0.76 C ATOM 496 C GLU A 29 -8.088 8.202 0.816 1.00 0.68 C ATOM 497 O GLU A 29 -7.501 9.170 0.323 1.00 0.77 O ATOM 498 CB GLU A 29 -9.630 8.439 2.802 1.00 0.87 C ATOM 499 CG GLU A 29 -9.092 9.762 3.373 1.00 1.19 C ATOM 500 CD GLU A 29 -10.035 10.964 3.182 1.00 1.13 C ATOM 501 OE1 GLU A 29 -11.255 10.792 2.959 1.00 2.26 O ATOM 502 OE2 GLU A 29 -9.577 12.117 3.343 1.00 2.02 O ATOM 0 H GLU A 29 -10.790 6.664 1.617 1.00 0.69 H new ATOM 0 HA GLU A 29 -9.957 9.223 0.802 1.00 0.76 H new ATOM 0 HB2 GLU A 29 -10.669 8.321 3.111 1.00 0.87 H new ATOM 0 HB3 GLU A 29 -9.070 7.614 3.243 1.00 0.87 H new ATOM 0 HG2 GLU A 29 -8.898 9.633 4.438 1.00 1.19 H new ATOM 0 HG3 GLU A 29 -8.136 9.986 2.900 1.00 1.19 H new ATOM 509 N ILE A 30 -7.487 7.013 0.954 1.00 0.57 N ATOM 510 CA ILE A 30 -6.101 6.787 0.495 1.00 0.55 C ATOM 511 C ILE A 30 -5.977 6.704 -1.035 1.00 0.54 C ATOM 512 O ILE A 30 -5.004 7.221 -1.581 1.00 0.55 O ATOM 513 CB ILE A 30 -5.415 5.618 1.238 1.00 0.61 C ATOM 514 CG1 ILE A 30 -6.033 4.251 0.910 1.00 0.64 C ATOM 515 CG2 ILE A 30 -5.477 5.874 2.755 1.00 0.71 C ATOM 516 CD1 ILE A 30 -5.350 3.067 1.592 1.00 0.75 C ATOM 0 H ILE A 30 -7.930 6.196 1.375 1.00 0.57 H new ATOM 0 HA ILE A 30 -5.539 7.679 0.772 1.00 0.55 H new ATOM 0 HB ILE A 30 -4.380 5.580 0.898 1.00 0.61 H new ATOM 0 HG12 ILE A 30 -7.084 4.263 1.198 1.00 0.64 H new ATOM 0 HG13 ILE A 30 -6.000 4.101 -0.169 1.00 0.64 H new ATOM 0 HG21 ILE A 30 -4.994 5.052 3.283 1.00 0.71 H new ATOM 0 HG22 ILE A 30 -4.963 6.806 2.988 1.00 0.71 H new ATOM 0 HG23 ILE A 30 -6.518 5.946 3.070 1.00 0.71 H new ATOM 0 HD11 ILE A 30 -5.851 2.143 1.304 1.00 0.75 H new ATOM 0 HD12 ILE A 30 -4.305 3.024 1.285 1.00 0.75 H new ATOM 0 HD13 ILE A 30 -5.406 3.188 2.674 1.00 0.75 H new ATOM 528 N GLU A 31 -6.959 6.127 -1.739 1.00 0.57 N ATOM 529 CA GLU A 31 -6.940 6.050 -3.207 1.00 0.62 C ATOM 530 C GLU A 31 -7.172 7.431 -3.835 1.00 0.60 C ATOM 531 O GLU A 31 -6.482 7.789 -4.789 1.00 0.60 O ATOM 532 CB GLU A 31 -7.882 4.953 -3.742 1.00 0.72 C ATOM 533 CG GLU A 31 -9.285 5.361 -4.218 1.00 1.52 C ATOM 534 CD GLU A 31 -9.326 6.016 -5.615 1.00 2.23 C ATOM 535 OE1 GLU A 31 -8.574 5.596 -6.525 1.00 2.51 O ATOM 536 OE2 GLU A 31 -10.163 6.926 -5.822 1.00 3.38 O ATOM 0 H GLU A 31 -7.783 5.703 -1.312 1.00 0.57 H new ATOM 0 HA GLU A 31 -5.943 5.740 -3.519 1.00 0.62 H new ATOM 0 HB2 GLU A 31 -7.379 4.461 -4.575 1.00 0.72 H new ATOM 0 HB3 GLU A 31 -8.002 4.207 -2.957 1.00 0.72 H new ATOM 0 HG2 GLU A 31 -9.922 4.477 -4.227 1.00 1.52 H new ATOM 0 HG3 GLU A 31 -9.712 6.054 -3.494 1.00 1.52 H new ATOM 543 N LEU A 32 -8.056 8.250 -3.243 1.00 0.63 N ATOM 544 CA LEU A 32 -8.244 9.659 -3.583 1.00 0.71 C ATOM 545 C LEU A 32 -6.900 10.385 -3.545 1.00 0.67 C ATOM 546 O LEU A 32 -6.551 11.075 -4.494 1.00 0.73 O ATOM 547 CB LEU A 32 -9.239 10.313 -2.597 1.00 0.90 C ATOM 548 CG LEU A 32 -10.732 10.164 -2.951 1.00 1.10 C ATOM 549 CD1 LEU A 32 -11.575 10.641 -1.757 1.00 1.27 C ATOM 550 CD2 LEU A 32 -11.112 10.994 -4.187 1.00 1.44 C ATOM 0 H LEU A 32 -8.674 7.936 -2.495 1.00 0.63 H new ATOM 0 HA LEU A 32 -8.654 9.733 -4.590 1.00 0.71 H new ATOM 0 HB2 LEU A 32 -9.075 9.885 -1.608 1.00 0.90 H new ATOM 0 HB3 LEU A 32 -9.006 11.376 -2.527 1.00 0.90 H new ATOM 0 HG LEU A 32 -10.924 9.115 -3.175 1.00 1.10 H new ATOM 0 HD11 LEU A 32 -12.634 10.540 -1.996 1.00 1.27 H new ATOM 0 HD12 LEU A 32 -11.341 10.035 -0.881 1.00 1.27 H new ATOM 0 HD13 LEU A 32 -11.348 11.686 -1.546 1.00 1.27 H new ATOM 0 HD21 LEU A 32 -12.172 10.861 -4.403 1.00 1.44 H new ATOM 0 HD22 LEU A 32 -10.910 12.048 -3.994 1.00 1.44 H new ATOM 0 HD23 LEU A 32 -10.523 10.663 -5.043 1.00 1.44 H new ATOM 562 N GLN A 33 -6.104 10.216 -2.495 1.00 0.63 N ATOM 563 CA GLN A 33 -4.813 10.892 -2.406 1.00 0.64 C ATOM 564 C GLN A 33 -3.799 10.416 -3.467 1.00 0.64 C ATOM 565 O GLN A 33 -2.941 11.200 -3.859 1.00 0.80 O ATOM 566 CB GLN A 33 -4.305 10.807 -0.956 1.00 0.66 C ATOM 567 CG GLN A 33 -3.308 11.930 -0.618 1.00 0.73 C ATOM 568 CD GLN A 33 -3.094 12.111 0.888 1.00 1.89 C ATOM 569 OE1 GLN A 33 -1.986 12.037 1.401 1.00 2.35 O ATOM 570 NE2 GLN A 33 -4.129 12.377 1.661 1.00 3.63 N ATOM 0 H GLN A 33 -6.327 9.621 -1.697 1.00 0.63 H new ATOM 0 HA GLN A 33 -4.944 11.946 -2.653 1.00 0.64 H new ATOM 0 HB2 GLN A 33 -5.153 10.860 -0.273 1.00 0.66 H new ATOM 0 HB3 GLN A 33 -3.827 9.840 -0.797 1.00 0.66 H new ATOM 0 HG2 GLN A 33 -2.351 11.712 -1.091 1.00 0.73 H new ATOM 0 HG3 GLN A 33 -3.668 12.867 -1.043 1.00 0.73 H new ATOM 0 HE21 GLN A 33 -5.063 12.444 1.257 1.00 3.63 H new ATOM 0 HE22 GLN A 33 -3.995 12.516 2.663 1.00 3.63 H new ATOM 579 N ALA A 34 -3.899 9.180 -3.972 1.00 0.54 N ATOM 580 CA ALA A 34 -3.107 8.720 -5.119 1.00 0.55 C ATOM 581 C ALA A 34 -3.589 9.328 -6.454 1.00 0.53 C ATOM 582 O ALA A 34 -2.794 9.901 -7.207 1.00 0.54 O ATOM 583 CB ALA A 34 -3.175 7.186 -5.168 1.00 0.57 C ATOM 0 H ALA A 34 -4.530 8.472 -3.597 1.00 0.54 H new ATOM 0 HA ALA A 34 -2.078 9.055 -4.987 1.00 0.55 H new ATOM 0 HB1 ALA A 34 -2.592 6.823 -6.014 1.00 0.57 H new ATOM 0 HB2 ALA A 34 -2.769 6.774 -4.244 1.00 0.57 H new ATOM 0 HB3 ALA A 34 -4.213 6.871 -5.280 1.00 0.57 H new ATOM 589 N GLN A 35 -4.884 9.214 -6.761 1.00 0.57 N ATOM 590 CA GLN A 35 -5.476 9.715 -8.015 1.00 0.64 C ATOM 591 C GLN A 35 -5.450 11.248 -8.127 1.00 0.62 C ATOM 592 O GLN A 35 -5.271 11.769 -9.229 1.00 0.63 O ATOM 593 CB GLN A 35 -6.879 9.134 -8.276 1.00 0.91 C ATOM 594 CG GLN A 35 -7.870 9.339 -7.130 1.00 1.57 C ATOM 595 CD GLN A 35 -9.203 9.951 -7.549 1.00 2.94 C ATOM 596 OE1 GLN A 35 -9.280 11.109 -7.950 1.00 3.76 O ATOM 597 NE2 GLN A 35 -10.296 9.230 -7.433 1.00 3.57 N ATOM 0 H GLN A 35 -5.562 8.768 -6.143 1.00 0.57 H new ATOM 0 HA GLN A 35 -4.831 9.347 -8.813 1.00 0.64 H new ATOM 0 HB2 GLN A 35 -7.286 9.590 -9.178 1.00 0.91 H new ATOM 0 HB3 GLN A 35 -6.786 8.066 -8.473 1.00 0.91 H new ATOM 0 HG2 GLN A 35 -8.060 8.377 -6.654 1.00 1.57 H new ATOM 0 HG3 GLN A 35 -7.410 9.981 -6.379 1.00 1.57 H new ATOM 0 HE21 GLN A 35 -10.239 8.267 -7.101 1.00 3.57 H new ATOM 0 HE22 GLN A 35 -11.201 9.633 -7.676 1.00 3.57 H new ATOM 606 N GLN A 36 -5.609 11.982 -7.021 1.00 0.62 N ATOM 607 CA GLN A 36 -5.588 13.449 -6.997 1.00 0.71 C ATOM 608 C GLN A 36 -4.223 14.022 -7.412 1.00 0.64 C ATOM 609 O GLN A 36 -4.158 15.140 -7.925 1.00 0.74 O ATOM 610 CB GLN A 36 -6.005 13.942 -5.596 1.00 0.87 C ATOM 611 CG GLN A 36 -7.528 13.884 -5.358 1.00 1.37 C ATOM 612 CD GLN A 36 -8.348 14.681 -6.375 1.00 2.04 C ATOM 613 OE1 GLN A 36 -8.416 15.904 -6.338 1.00 1.91 O ATOM 614 NE2 GLN A 36 -8.985 14.037 -7.336 1.00 3.34 N ATOM 0 H GLN A 36 -5.758 11.567 -6.101 1.00 0.62 H new ATOM 0 HA GLN A 36 -6.303 13.814 -7.734 1.00 0.71 H new ATOM 0 HB2 GLN A 36 -5.503 13.337 -4.841 1.00 0.87 H new ATOM 0 HB3 GLN A 36 -5.662 14.968 -5.462 1.00 0.87 H new ATOM 0 HG2 GLN A 36 -7.850 12.843 -5.383 1.00 1.37 H new ATOM 0 HG3 GLN A 36 -7.744 14.260 -4.358 1.00 1.37 H new ATOM 0 HE21 GLN A 36 -8.941 13.019 -7.384 1.00 3.34 H new ATOM 0 HE22 GLN A 36 -9.521 14.558 -8.030 1.00 3.34 H new ATOM 623 N LEU A 37 -3.142 13.251 -7.232 1.00 0.57 N ATOM 624 CA LEU A 37 -1.793 13.586 -7.698 1.00 0.60 C ATOM 625 C LEU A 37 -1.488 13.026 -9.104 1.00 0.59 C ATOM 626 O LEU A 37 -0.389 13.240 -9.618 1.00 0.69 O ATOM 627 CB LEU A 37 -0.785 13.069 -6.651 1.00 0.61 C ATOM 628 CG LEU A 37 -1.017 13.578 -5.212 1.00 0.66 C ATOM 629 CD1 LEU A 37 0.046 12.978 -4.282 1.00 0.97 C ATOM 630 CD2 LEU A 37 -1.019 15.109 -5.111 1.00 1.14 C ATOM 0 H LEU A 37 -3.184 12.355 -6.746 1.00 0.57 H new ATOM 0 HA LEU A 37 -1.712 14.668 -7.798 1.00 0.60 H new ATOM 0 HB2 LEU A 37 -0.818 11.980 -6.644 1.00 0.61 H new ATOM 0 HB3 LEU A 37 0.219 13.355 -6.964 1.00 0.61 H new ATOM 0 HG LEU A 37 -2.010 13.251 -4.905 1.00 0.66 H new ATOM 0 HD11 LEU A 37 -0.116 13.336 -3.265 1.00 0.97 H new ATOM 0 HD12 LEU A 37 -0.027 11.891 -4.300 1.00 0.97 H new ATOM 0 HD13 LEU A 37 1.037 13.280 -4.620 1.00 0.97 H new ATOM 0 HD21 LEU A 37 -1.187 15.405 -4.075 1.00 1.14 H new ATOM 0 HD22 LEU A 37 -0.058 15.497 -5.448 1.00 1.14 H new ATOM 0 HD23 LEU A 37 -1.814 15.514 -5.737 1.00 1.14 H new ATOM 642 N GLU A 38 -2.445 12.321 -9.724 1.00 0.54 N ATOM 643 CA GLU A 38 -2.343 11.678 -11.043 1.00 0.56 C ATOM 644 C GLU A 38 -1.177 10.665 -11.104 1.00 0.62 C ATOM 645 O GLU A 38 -0.422 10.610 -12.076 1.00 0.74 O ATOM 646 CB GLU A 38 -2.329 12.743 -12.163 1.00 0.66 C ATOM 647 CG GLU A 38 -2.722 12.176 -13.538 1.00 1.59 C ATOM 648 CD GLU A 38 -2.835 13.286 -14.596 1.00 1.69 C ATOM 649 OE1 GLU A 38 -1.808 13.918 -14.939 1.00 2.49 O ATOM 650 OE2 GLU A 38 -3.954 13.522 -15.112 1.00 2.78 O ATOM 0 H GLU A 38 -3.360 12.176 -9.297 1.00 0.54 H new ATOM 0 HA GLU A 38 -3.234 11.074 -11.213 1.00 0.56 H new ATOM 0 HB2 GLU A 38 -3.014 13.548 -11.899 1.00 0.66 H new ATOM 0 HB3 GLU A 38 -1.333 13.181 -12.228 1.00 0.66 H new ATOM 0 HG2 GLU A 38 -1.980 11.444 -13.856 1.00 1.59 H new ATOM 0 HG3 GLU A 38 -3.674 11.651 -13.457 1.00 1.59 H new ATOM 657 N TYR A 39 -0.988 9.877 -10.037 1.00 0.65 N ATOM 658 CA TYR A 39 0.152 8.959 -9.917 1.00 0.76 C ATOM 659 C TYR A 39 0.139 7.844 -10.974 1.00 0.80 C ATOM 660 O TYR A 39 1.064 7.772 -11.780 1.00 0.88 O ATOM 661 CB TYR A 39 0.220 8.399 -8.484 1.00 0.85 C ATOM 662 CG TYR A 39 1.205 9.107 -7.568 1.00 0.94 C ATOM 663 CD1 TYR A 39 1.392 10.502 -7.650 1.00 2.15 C ATOM 664 CD2 TYR A 39 1.971 8.357 -6.653 1.00 1.73 C ATOM 665 CE1 TYR A 39 2.355 11.141 -6.852 1.00 2.35 C ATOM 666 CE2 TYR A 39 2.934 8.989 -5.843 1.00 1.74 C ATOM 667 CZ TYR A 39 3.134 10.384 -5.952 1.00 1.36 C ATOM 668 OH TYR A 39 4.094 10.997 -5.210 1.00 1.65 O ATOM 0 H TYR A 39 -1.619 9.858 -9.236 1.00 0.65 H new ATOM 0 HA TYR A 39 1.060 9.528 -10.114 1.00 0.76 H new ATOM 0 HB2 TYR A 39 -0.773 8.456 -8.039 1.00 0.85 H new ATOM 0 HB3 TYR A 39 0.487 7.343 -8.534 1.00 0.85 H new ATOM 0 HD1 TYR A 39 0.790 11.084 -8.332 1.00 2.15 H new ATOM 0 HD2 TYR A 39 1.818 7.291 -6.573 1.00 1.73 H new ATOM 0 HE1 TYR A 39 2.499 12.209 -6.927 1.00 2.35 H new ATOM 0 HE2 TYR A 39 3.517 8.411 -5.142 1.00 1.74 H new ATOM 0 HH TYR A 39 3.754 11.161 -4.306 1.00 1.65 H new ATOM 678 N ASP A 40 -0.903 7.002 -10.959 1.00 0.78 N ATOM 679 CA ASP A 40 -1.126 5.769 -11.738 1.00 0.79 C ATOM 680 C ASP A 40 -2.219 4.956 -11.028 1.00 0.75 C ATOM 681 O ASP A 40 -3.401 5.129 -11.326 1.00 0.82 O ATOM 682 CB ASP A 40 0.169 4.963 -11.970 1.00 0.86 C ATOM 683 CG ASP A 40 -0.047 3.596 -12.630 1.00 0.93 C ATOM 684 OD1 ASP A 40 -0.613 3.558 -13.748 1.00 1.64 O ATOM 685 OD2 ASP A 40 0.405 2.592 -12.033 1.00 2.56 O ATOM 0 H ASP A 40 -1.693 7.183 -10.339 1.00 0.78 H new ATOM 0 HA ASP A 40 -1.460 6.027 -12.743 1.00 0.79 H new ATOM 0 HB2 ASP A 40 0.842 5.552 -12.593 1.00 0.86 H new ATOM 0 HB3 ASP A 40 0.668 4.816 -11.012 1.00 0.86 H new ATOM 690 N TYR A 41 -1.837 4.136 -10.041 1.00 0.71 N ATOM 691 CA TYR A 41 -2.735 3.283 -9.256 1.00 0.70 C ATOM 692 C TYR A 41 -2.260 3.087 -7.801 1.00 0.67 C ATOM 693 O TYR A 41 -1.106 3.343 -7.448 1.00 0.66 O ATOM 694 CB TYR A 41 -2.880 1.914 -9.943 1.00 0.65 C ATOM 695 CG TYR A 41 -3.507 1.911 -11.327 1.00 0.72 C ATOM 696 CD1 TYR A 41 -4.844 2.318 -11.501 1.00 1.47 C ATOM 697 CD2 TYR A 41 -2.774 1.438 -12.434 1.00 1.67 C ATOM 698 CE1 TYR A 41 -5.433 2.295 -12.780 1.00 1.50 C ATOM 699 CE2 TYR A 41 -3.355 1.418 -13.716 1.00 1.77 C ATOM 700 CZ TYR A 41 -4.685 1.856 -13.895 1.00 0.97 C ATOM 701 OH TYR A 41 -5.256 1.811 -15.132 1.00 1.12 O ATOM 0 H TYR A 41 -0.861 4.046 -9.758 1.00 0.71 H new ATOM 0 HA TYR A 41 -3.699 3.791 -9.211 1.00 0.70 H new ATOM 0 HB2 TYR A 41 -1.890 1.463 -10.016 1.00 0.65 H new ATOM 0 HB3 TYR A 41 -3.477 1.270 -9.297 1.00 0.65 H new ATOM 0 HD1 TYR A 41 -5.420 2.649 -10.650 1.00 1.47 H new ATOM 0 HD2 TYR A 41 -1.761 1.089 -12.298 1.00 1.67 H new ATOM 0 HE1 TYR A 41 -6.457 2.613 -12.908 1.00 1.50 H new ATOM 0 HE2 TYR A 41 -2.783 1.068 -14.563 1.00 1.77 H new ATOM 0 HH TYR A 41 -4.600 1.487 -15.784 1.00 1.12 H new ATOM 711 N TYR A 42 -3.170 2.593 -6.960 1.00 0.68 N ATOM 712 CA TYR A 42 -2.970 2.293 -5.537 1.00 0.66 C ATOM 713 C TYR A 42 -3.327 0.815 -5.243 1.00 0.58 C ATOM 714 O TYR A 42 -4.179 0.244 -5.923 1.00 0.62 O ATOM 715 CB TYR A 42 -3.830 3.281 -4.706 1.00 0.80 C ATOM 716 CG TYR A 42 -4.916 2.618 -3.882 1.00 1.56 C ATOM 717 CD1 TYR A 42 -6.069 2.108 -4.513 1.00 2.24 C ATOM 718 CD2 TYR A 42 -4.693 2.365 -2.516 1.00 3.02 C ATOM 719 CE1 TYR A 42 -6.958 1.280 -3.806 1.00 3.23 C ATOM 720 CE2 TYR A 42 -5.587 1.553 -1.801 1.00 3.89 C ATOM 721 CZ TYR A 42 -6.700 0.975 -2.452 1.00 3.73 C ATOM 722 OH TYR A 42 -7.506 0.109 -1.782 1.00 4.86 O ATOM 0 H TYR A 42 -4.119 2.379 -7.268 1.00 0.68 H new ATOM 0 HA TYR A 42 -1.924 2.421 -5.260 1.00 0.66 H new ATOM 0 HB2 TYR A 42 -3.176 3.843 -4.039 1.00 0.80 H new ATOM 0 HB3 TYR A 42 -4.291 4.001 -5.382 1.00 0.80 H new ATOM 0 HD1 TYR A 42 -6.270 2.355 -5.545 1.00 2.24 H new ATOM 0 HD2 TYR A 42 -3.836 2.795 -2.019 1.00 3.02 H new ATOM 0 HE1 TYR A 42 -7.833 0.879 -4.296 1.00 3.23 H new ATOM 0 HE2 TYR A 42 -5.424 1.369 -0.749 1.00 3.89 H new ATOM 0 HH TYR A 42 -8.412 0.478 -1.731 1.00 4.86 H new ATOM 732 N SER A 43 -2.747 0.216 -4.202 1.00 0.53 N ATOM 733 CA SER A 43 -3.125 -1.107 -3.685 1.00 0.49 C ATOM 734 C SER A 43 -3.094 -1.146 -2.142 1.00 0.50 C ATOM 735 O SER A 43 -2.193 -0.583 -1.516 1.00 0.50 O ATOM 736 CB SER A 43 -2.184 -2.172 -4.270 1.00 0.56 C ATOM 737 OG SER A 43 -2.626 -3.487 -3.964 1.00 1.68 O ATOM 0 H SER A 43 -1.983 0.645 -3.680 1.00 0.53 H new ATOM 0 HA SER A 43 -4.150 -1.316 -3.993 1.00 0.49 H new ATOM 0 HB2 SER A 43 -2.124 -2.050 -5.352 1.00 0.56 H new ATOM 0 HB3 SER A 43 -1.178 -2.025 -3.876 1.00 0.56 H new ATOM 0 HG SER A 43 -1.879 -4.114 -4.059 1.00 1.68 H new ATOM 743 N LEU A 44 -4.064 -1.844 -1.540 1.00 0.57 N ATOM 744 CA LEU A 44 -4.242 -2.141 -0.111 1.00 0.60 C ATOM 745 C LEU A 44 -4.248 -3.664 0.064 1.00 0.56 C ATOM 746 O LEU A 44 -4.954 -4.358 -0.669 1.00 0.60 O ATOM 747 CB LEU A 44 -5.597 -1.551 0.323 1.00 0.67 C ATOM 748 CG LEU A 44 -6.173 -1.978 1.689 1.00 0.81 C ATOM 749 CD1 LEU A 44 -5.365 -1.478 2.893 1.00 1.48 C ATOM 750 CD2 LEU A 44 -7.584 -1.400 1.802 1.00 1.60 C ATOM 0 H LEU A 44 -4.817 -2.255 -2.093 1.00 0.57 H new ATOM 0 HA LEU A 44 -3.442 -1.713 0.493 1.00 0.60 H new ATOM 0 HB2 LEU A 44 -5.502 -0.465 0.326 1.00 0.67 H new ATOM 0 HB3 LEU A 44 -6.331 -1.804 -0.442 1.00 0.67 H new ATOM 0 HG LEU A 44 -6.148 -3.067 1.718 1.00 0.81 H new ATOM 0 HD11 LEU A 44 -5.836 -1.821 3.815 1.00 1.48 H new ATOM 0 HD12 LEU A 44 -4.349 -1.869 2.837 1.00 1.48 H new ATOM 0 HD13 LEU A 44 -5.335 -0.388 2.884 1.00 1.48 H new ATOM 0 HD21 LEU A 44 -8.019 -1.686 2.760 1.00 1.60 H new ATOM 0 HD22 LEU A 44 -7.538 -0.313 1.734 1.00 1.60 H new ATOM 0 HD23 LEU A 44 -8.202 -1.789 0.993 1.00 1.60 H new ATOM 762 N CYS A 45 -3.538 -4.184 1.069 1.00 0.55 N ATOM 763 CA CYS A 45 -3.639 -5.593 1.475 1.00 0.53 C ATOM 764 C CYS A 45 -3.867 -5.686 2.990 1.00 0.53 C ATOM 765 O CYS A 45 -3.219 -4.974 3.759 1.00 0.53 O ATOM 766 CB CYS A 45 -2.403 -6.397 1.025 1.00 0.64 C ATOM 767 SG CYS A 45 -2.210 -6.349 -0.784 1.00 2.51 S ATOM 0 H CYS A 45 -2.877 -3.642 1.625 1.00 0.55 H new ATOM 0 HA CYS A 45 -4.498 -6.041 0.976 1.00 0.53 H new ATOM 0 HB2 CYS A 45 -1.509 -5.991 1.500 1.00 0.64 H new ATOM 0 HB3 CYS A 45 -2.498 -7.431 1.356 1.00 0.64 H new ATOM 0 HG CYS A 45 -1.234 -5.548 -1.095 1.00 2.51 H new ATOM 773 N VAL A 46 -4.775 -6.565 3.410 1.00 0.61 N ATOM 774 CA VAL A 46 -5.206 -6.735 4.811 1.00 0.68 C ATOM 775 C VAL A 46 -5.074 -8.207 5.194 1.00 0.76 C ATOM 776 O VAL A 46 -5.481 -9.078 4.427 1.00 0.88 O ATOM 777 CB VAL A 46 -6.662 -6.254 5.023 1.00 0.72 C ATOM 778 CG1 VAL A 46 -7.071 -6.338 6.504 1.00 1.57 C ATOM 779 CG2 VAL A 46 -6.854 -4.803 4.544 1.00 1.53 C ATOM 0 H VAL A 46 -5.250 -7.202 2.771 1.00 0.61 H new ATOM 0 HA VAL A 46 -4.568 -6.124 5.449 1.00 0.68 H new ATOM 0 HB VAL A 46 -7.294 -6.917 4.432 1.00 0.72 H new ATOM 0 HG11 VAL A 46 -8.099 -5.993 6.618 1.00 1.57 H new ATOM 0 HG12 VAL A 46 -6.995 -7.371 6.844 1.00 1.57 H new ATOM 0 HG13 VAL A 46 -6.409 -5.710 7.100 1.00 1.57 H new ATOM 0 HG21 VAL A 46 -7.888 -4.499 4.708 1.00 1.53 H new ATOM 0 HG22 VAL A 46 -6.189 -4.144 5.103 1.00 1.53 H new ATOM 0 HG23 VAL A 46 -6.621 -4.737 3.481 1.00 1.53 H new ATOM 789 N ARG A 47 -4.470 -8.477 6.357 1.00 0.72 N ATOM 790 CA ARG A 47 -3.998 -9.806 6.760 1.00 0.70 C ATOM 791 C ARG A 47 -4.325 -10.048 8.238 1.00 0.72 C ATOM 792 O ARG A 47 -3.994 -9.231 9.099 1.00 0.85 O ATOM 793 CB ARG A 47 -2.475 -9.936 6.512 1.00 0.88 C ATOM 794 CG ARG A 47 -1.963 -9.197 5.260 1.00 2.30 C ATOM 795 CD ARG A 47 -0.487 -9.467 4.972 1.00 2.29 C ATOM 796 NE ARG A 47 0.044 -8.489 4.001 1.00 4.40 N ATOM 797 CZ ARG A 47 1.309 -8.380 3.612 1.00 5.09 C ATOM 798 NH1 ARG A 47 2.230 -9.209 4.055 1.00 4.04 N ATOM 799 NH2 ARG A 47 1.659 -7.436 2.764 1.00 7.09 N ATOM 0 H ARG A 47 -4.292 -7.760 7.060 1.00 0.72 H new ATOM 0 HA ARG A 47 -4.507 -10.560 6.159 1.00 0.70 H new ATOM 0 HB2 ARG A 47 -1.944 -9.555 7.385 1.00 0.88 H new ATOM 0 HB3 ARG A 47 -2.224 -10.993 6.422 1.00 0.88 H new ATOM 0 HG2 ARG A 47 -2.557 -9.499 4.398 1.00 2.30 H new ATOM 0 HG3 ARG A 47 -2.112 -8.125 5.390 1.00 2.30 H new ATOM 0 HD2 ARG A 47 0.085 -9.414 5.898 1.00 2.29 H new ATOM 0 HD3 ARG A 47 -0.367 -10.477 4.581 1.00 2.29 H new ATOM 0 HE ARG A 47 -0.624 -7.836 3.591 1.00 4.40 H new ATOM 0 HH11 ARG A 47 1.977 -9.951 4.708 1.00 4.04 H new ATOM 0 HH12 ARG A 47 3.197 -9.110 3.745 1.00 4.04 H new ATOM 0 HH21 ARG A 47 0.958 -6.787 2.405 1.00 7.09 H new ATOM 0 HH22 ARG A 47 2.631 -7.353 2.466 1.00 7.09 H new ATOM 813 N HIS A 48 -4.962 -11.169 8.563 1.00 0.74 N ATOM 814 CA HIS A 48 -5.398 -11.448 9.937 1.00 0.83 C ATOM 815 C HIS A 48 -4.947 -12.848 10.407 1.00 0.87 C ATOM 816 O HIS A 48 -5.560 -13.858 10.037 1.00 0.94 O ATOM 817 CB HIS A 48 -6.906 -11.169 10.094 1.00 0.97 C ATOM 818 CG HIS A 48 -7.884 -11.828 9.148 1.00 2.19 C ATOM 819 ND1 HIS A 48 -9.044 -12.464 9.533 1.00 3.09 N ATOM 820 CD2 HIS A 48 -7.948 -11.684 7.785 1.00 3.63 C ATOM 821 CE1 HIS A 48 -9.773 -12.714 8.434 1.00 4.43 C ATOM 822 NE2 HIS A 48 -9.144 -12.256 7.335 1.00 4.87 N ATOM 0 H HIS A 48 -5.191 -11.904 7.894 1.00 0.74 H new ATOM 0 HA HIS A 48 -4.898 -10.759 10.618 1.00 0.83 H new ATOM 0 HB2 HIS A 48 -7.188 -11.455 11.107 1.00 0.97 H new ATOM 0 HB3 HIS A 48 -7.050 -10.091 10.015 1.00 0.97 H new ATOM 0 HD1 HIS A 48 -9.304 -12.704 10.490 1.00 3.09 H new ATOM 0 HD2 HIS A 48 -7.202 -11.210 7.164 1.00 3.63 H new ATOM 0 HE1 HIS A 48 -10.731 -13.213 8.432 1.00 4.43 H new ATOM 830 N PRO A 49 -3.890 -12.931 11.246 1.00 0.95 N ATOM 831 CA PRO A 49 -3.452 -14.179 11.862 1.00 1.09 C ATOM 832 C PRO A 49 -4.404 -14.604 12.994 1.00 1.21 C ATOM 833 O PRO A 49 -4.107 -14.460 14.178 1.00 1.49 O ATOM 834 CB PRO A 49 -1.993 -13.953 12.284 1.00 1.22 C ATOM 835 CG PRO A 49 -1.906 -12.446 12.500 1.00 1.31 C ATOM 836 CD PRO A 49 -2.886 -11.890 11.470 1.00 1.11 C ATOM 0 HA PRO A 49 -3.489 -15.026 11.176 1.00 1.09 H new ATOM 0 HB2 PRO A 49 -1.750 -14.502 13.194 1.00 1.22 H new ATOM 0 HB3 PRO A 49 -1.298 -14.288 11.514 1.00 1.22 H new ATOM 0 HG2 PRO A 49 -2.188 -12.168 13.515 1.00 1.31 H new ATOM 0 HG3 PRO A 49 -0.895 -12.073 12.336 1.00 1.31 H new ATOM 0 HD2 PRO A 49 -3.352 -10.974 11.833 1.00 1.11 H new ATOM 0 HD3 PRO A 49 -2.373 -11.640 10.542 1.00 1.11 H new ATOM 844 N VAL A 50 -5.564 -15.147 12.606 1.00 1.17 N ATOM 845 CA VAL A 50 -6.580 -15.703 13.525 1.00 1.24 C ATOM 846 C VAL A 50 -6.041 -16.970 14.223 1.00 1.45 C ATOM 847 O VAL A 50 -5.380 -17.776 13.565 1.00 1.61 O ATOM 848 CB VAL A 50 -7.902 -16.070 12.803 1.00 1.23 C ATOM 849 CG1 VAL A 50 -9.068 -16.272 13.787 1.00 1.34 C ATOM 850 CG2 VAL A 50 -8.349 -15.004 11.802 1.00 1.13 C ATOM 0 H VAL A 50 -5.834 -15.216 11.625 1.00 1.17 H new ATOM 0 HA VAL A 50 -6.791 -14.921 14.254 1.00 1.24 H new ATOM 0 HB VAL A 50 -7.674 -16.999 12.281 1.00 1.23 H new ATOM 0 HG11 VAL A 50 -9.971 -16.527 13.233 1.00 1.34 H new ATOM 0 HG12 VAL A 50 -8.825 -17.080 14.478 1.00 1.34 H new ATOM 0 HG13 VAL A 50 -9.234 -15.352 14.348 1.00 1.34 H new ATOM 0 HG21 VAL A 50 -9.280 -15.317 11.328 1.00 1.13 H new ATOM 0 HG22 VAL A 50 -8.506 -14.059 12.323 1.00 1.13 H new ATOM 0 HG23 VAL A 50 -7.580 -14.875 11.040 1.00 1.13 H new ATOM 860 N PRO A 51 -6.330 -17.189 15.522 1.00 1.51 N ATOM 861 CA PRO A 51 -5.952 -18.418 16.217 1.00 1.68 C ATOM 862 C PRO A 51 -6.961 -19.569 16.026 1.00 1.69 C ATOM 863 O PRO A 51 -6.582 -20.735 16.125 1.00 1.87 O ATOM 864 CB PRO A 51 -5.787 -18.004 17.681 1.00 1.76 C ATOM 865 CG PRO A 51 -6.699 -16.786 17.857 1.00 1.66 C ATOM 866 CD PRO A 51 -6.882 -16.211 16.449 1.00 1.46 C ATOM 0 HA PRO A 51 -5.032 -18.836 15.808 1.00 1.68 H new ATOM 0 HB2 PRO A 51 -6.074 -18.812 18.354 1.00 1.76 H new ATOM 0 HB3 PRO A 51 -4.750 -17.756 17.906 1.00 1.76 H new ATOM 0 HG2 PRO A 51 -7.656 -17.071 18.293 1.00 1.66 H new ATOM 0 HG3 PRO A 51 -6.250 -16.052 18.526 1.00 1.66 H new ATOM 0 HD2 PRO A 51 -7.936 -16.031 16.239 1.00 1.46 H new ATOM 0 HD3 PRO A 51 -6.369 -15.254 16.352 1.00 1.46 H new ATOM 874 N PHE A 52 -8.229 -19.259 15.724 1.00 1.56 N ATOM 875 CA PHE A 52 -9.316 -20.224 15.475 1.00 1.64 C ATOM 876 C PHE A 52 -9.369 -20.782 14.039 1.00 1.75 C ATOM 877 O PHE A 52 -10.012 -21.812 13.819 1.00 2.00 O ATOM 878 CB PHE A 52 -10.665 -19.568 15.830 1.00 1.58 C ATOM 879 CG PHE A 52 -11.017 -19.644 17.303 1.00 1.60 C ATOM 880 CD1 PHE A 52 -10.355 -18.822 18.231 1.00 2.11 C ATOM 881 CD2 PHE A 52 -11.998 -20.550 17.749 1.00 2.57 C ATOM 882 CE1 PHE A 52 -10.665 -18.909 19.601 1.00 2.10 C ATOM 883 CE2 PHE A 52 -12.315 -20.633 19.117 1.00 2.86 C ATOM 884 CZ PHE A 52 -11.645 -19.814 20.044 1.00 2.03 C ATOM 0 H PHE A 52 -8.541 -18.291 15.642 1.00 1.56 H new ATOM 0 HA PHE A 52 -9.110 -21.084 16.113 1.00 1.64 H new ATOM 0 HB2 PHE A 52 -10.640 -18.522 15.526 1.00 1.58 H new ATOM 0 HB3 PHE A 52 -11.455 -20.049 15.253 1.00 1.58 H new ATOM 0 HD1 PHE A 52 -9.606 -18.122 17.892 1.00 2.11 H new ATOM 0 HD2 PHE A 52 -12.509 -21.183 17.039 1.00 2.57 H new ATOM 0 HE1 PHE A 52 -10.150 -18.280 20.312 1.00 2.10 H new ATOM 0 HE2 PHE A 52 -13.072 -21.325 19.455 1.00 2.86 H new ATOM 0 HZ PHE A 52 -11.883 -19.881 21.095 1.00 2.03 H new ATOM 894 N THR A 53 -8.718 -20.126 13.065 1.00 1.62 N ATOM 895 CA THR A 53 -8.701 -20.533 11.646 1.00 1.72 C ATOM 896 C THR A 53 -7.332 -20.308 11.014 1.00 1.73 C ATOM 897 O THR A 53 -6.579 -19.448 11.470 1.00 1.66 O ATOM 898 CB THR A 53 -9.836 -19.854 10.859 1.00 1.66 C ATOM 899 OG1 THR A 53 -10.092 -20.650 9.723 1.00 2.19 O ATOM 900 CG2 THR A 53 -9.583 -18.420 10.402 1.00 1.49 C ATOM 0 H THR A 53 -8.177 -19.280 13.243 1.00 1.62 H new ATOM 0 HA THR A 53 -8.886 -21.606 11.602 1.00 1.72 H new ATOM 0 HB THR A 53 -10.676 -19.777 11.550 1.00 1.66 H new ATOM 0 HG1 THR A 53 -10.814 -20.247 9.197 1.00 2.19 H new ATOM 0 HG21 THR A 53 -10.454 -18.052 9.859 1.00 1.49 H new ATOM 0 HG22 THR A 53 -9.403 -17.787 11.271 1.00 1.49 H new ATOM 0 HG23 THR A 53 -8.711 -18.395 9.749 1.00 1.49 H new ATOM 908 N ARG A 54 -7.008 -21.047 9.948 1.00 1.96 N ATOM 909 CA ARG A 54 -5.786 -20.802 9.169 1.00 1.98 C ATOM 910 C ARG A 54 -5.863 -19.420 8.488 1.00 1.52 C ATOM 911 O ARG A 54 -6.929 -19.053 7.980 1.00 1.38 O ATOM 912 CB ARG A 54 -5.530 -21.931 8.154 1.00 2.41 C ATOM 913 CG ARG A 54 -4.987 -23.221 8.797 1.00 2.99 C ATOM 914 CD ARG A 54 -3.569 -23.041 9.363 1.00 3.65 C ATOM 915 NE ARG A 54 -3.011 -24.309 9.863 1.00 4.34 N ATOM 916 CZ ARG A 54 -1.766 -24.497 10.290 1.00 5.01 C ATOM 917 NH1 ARG A 54 -0.874 -23.527 10.301 1.00 5.31 N ATOM 918 NH2 ARG A 54 -1.395 -25.683 10.721 1.00 5.63 N ATOM 0 H ARG A 54 -7.575 -21.822 9.603 1.00 1.96 H new ATOM 0 HA ARG A 54 -4.934 -20.797 9.849 1.00 1.98 H new ATOM 0 HB2 ARG A 54 -6.460 -22.158 7.632 1.00 2.41 H new ATOM 0 HB3 ARG A 54 -4.820 -21.581 7.404 1.00 2.41 H new ATOM 0 HG2 ARG A 54 -5.657 -23.535 9.597 1.00 2.99 H new ATOM 0 HG3 ARG A 54 -4.980 -24.019 8.055 1.00 2.99 H new ATOM 0 HD2 ARG A 54 -2.917 -22.639 8.588 1.00 3.65 H new ATOM 0 HD3 ARG A 54 -3.591 -22.310 10.172 1.00 3.65 H new ATOM 0 HE ARG A 54 -3.636 -25.115 9.884 1.00 4.34 H new ATOM 0 HH11 ARG A 54 -1.130 -22.595 9.975 1.00 5.31 H new ATOM 0 HH12 ARG A 54 0.072 -23.708 10.636 1.00 5.31 H new ATOM 0 HH21 ARG A 54 -2.062 -26.455 10.727 1.00 5.63 H new ATOM 0 HH22 ARG A 54 -0.441 -25.831 11.049 1.00 5.63 H new ATOM 932 N PRO A 55 -4.765 -18.639 8.498 1.00 1.46 N ATOM 933 CA PRO A 55 -4.803 -17.201 8.269 1.00 1.19 C ATOM 934 C PRO A 55 -5.134 -16.854 6.820 1.00 1.03 C ATOM 935 O PRO A 55 -4.730 -17.550 5.889 1.00 1.23 O ATOM 936 CB PRO A 55 -3.424 -16.685 8.684 1.00 1.48 C ATOM 937 CG PRO A 55 -2.508 -17.884 8.461 1.00 1.83 C ATOM 938 CD PRO A 55 -3.411 -19.052 8.849 1.00 1.84 C ATOM 0 HA PRO A 55 -5.596 -16.730 8.850 1.00 1.19 H new ATOM 0 HB2 PRO A 55 -3.118 -15.830 8.081 1.00 1.48 H new ATOM 0 HB3 PRO A 55 -3.414 -16.361 9.725 1.00 1.48 H new ATOM 0 HG2 PRO A 55 -2.173 -17.954 7.426 1.00 1.83 H new ATOM 0 HG3 PRO A 55 -1.614 -17.836 9.083 1.00 1.83 H new ATOM 0 HD2 PRO A 55 -3.128 -19.959 8.316 1.00 1.84 H new ATOM 0 HD3 PRO A 55 -3.332 -19.271 9.914 1.00 1.84 H new ATOM 946 N LYS A 56 -5.866 -15.752 6.646 1.00 0.83 N ATOM 947 CA LYS A 56 -6.279 -15.223 5.343 1.00 0.82 C ATOM 948 C LYS A 56 -5.561 -13.897 5.013 1.00 0.73 C ATOM 949 O LYS A 56 -5.145 -13.148 5.906 1.00 0.77 O ATOM 950 CB LYS A 56 -7.807 -15.005 5.330 1.00 0.99 C ATOM 951 CG LYS A 56 -8.716 -16.209 5.642 1.00 1.36 C ATOM 952 CD LYS A 56 -8.770 -17.302 4.563 1.00 2.09 C ATOM 953 CE LYS A 56 -7.637 -18.328 4.701 1.00 3.61 C ATOM 954 NZ LYS A 56 -7.774 -19.435 3.718 1.00 4.90 N ATOM 0 H LYS A 56 -6.197 -15.187 7.428 1.00 0.83 H new ATOM 0 HA LYS A 56 -6.002 -15.953 4.582 1.00 0.82 H new ATOM 0 HB2 LYS A 56 -8.037 -14.219 6.049 1.00 0.99 H new ATOM 0 HB3 LYS A 56 -8.081 -14.627 4.345 1.00 0.99 H new ATOM 0 HG2 LYS A 56 -8.380 -16.662 6.575 1.00 1.36 H new ATOM 0 HG3 LYS A 56 -9.728 -15.842 5.812 1.00 1.36 H new ATOM 0 HD2 LYS A 56 -9.729 -17.816 4.621 1.00 2.09 H new ATOM 0 HD3 LYS A 56 -8.716 -16.838 3.578 1.00 2.09 H new ATOM 0 HE2 LYS A 56 -6.677 -17.831 4.558 1.00 3.61 H new ATOM 0 HE3 LYS A 56 -7.637 -18.737 5.711 1.00 3.61 H new ATOM 0 HZ1 LYS A 56 -6.991 -20.108 3.842 1.00 4.90 H new ATOM 0 HZ2 LYS A 56 -8.679 -19.925 3.870 1.00 4.90 H new ATOM 0 HZ3 LYS A 56 -7.748 -19.048 2.753 1.00 4.90 H new ATOM 968 N VAL A 57 -5.478 -13.595 3.717 1.00 0.69 N ATOM 969 CA VAL A 57 -5.024 -12.315 3.152 1.00 0.64 C ATOM 970 C VAL A 57 -6.007 -11.884 2.061 1.00 0.56 C ATOM 971 O VAL A 57 -6.395 -12.684 1.211 1.00 0.67 O ATOM 972 CB VAL A 57 -3.562 -12.371 2.638 1.00 0.87 C ATOM 973 CG1 VAL A 57 -3.264 -13.575 1.728 1.00 1.76 C ATOM 974 CG2 VAL A 57 -3.155 -11.078 1.905 1.00 2.15 C ATOM 0 H VAL A 57 -5.737 -14.266 2.994 1.00 0.69 H new ATOM 0 HA VAL A 57 -5.014 -11.566 3.944 1.00 0.64 H new ATOM 0 HB VAL A 57 -2.965 -12.485 3.543 1.00 0.87 H new ATOM 0 HG11 VAL A 57 -2.222 -13.542 1.411 1.00 1.76 H new ATOM 0 HG12 VAL A 57 -3.448 -14.499 2.276 1.00 1.76 H new ATOM 0 HG13 VAL A 57 -3.911 -13.538 0.852 1.00 1.76 H new ATOM 0 HG21 VAL A 57 -2.124 -11.163 1.563 1.00 2.15 H new ATOM 0 HG22 VAL A 57 -3.810 -10.924 1.048 1.00 2.15 H new ATOM 0 HG23 VAL A 57 -3.243 -10.231 2.585 1.00 2.15 H new ATOM 984 N ALA A 58 -6.403 -10.613 2.106 1.00 0.47 N ATOM 985 CA ALA A 58 -7.261 -9.961 1.124 1.00 0.44 C ATOM 986 C ALA A 58 -6.522 -8.773 0.498 1.00 0.40 C ATOM 987 O ALA A 58 -5.843 -8.018 1.203 1.00 0.43 O ATOM 988 CB ALA A 58 -8.553 -9.513 1.820 1.00 0.48 C ATOM 0 H ALA A 58 -6.122 -9.986 2.860 1.00 0.47 H new ATOM 0 HA ALA A 58 -7.516 -10.653 0.322 1.00 0.44 H new ATOM 0 HB1 ALA A 58 -9.205 -9.023 1.097 1.00 0.48 H new ATOM 0 HB2 ALA A 58 -9.062 -10.382 2.237 1.00 0.48 H new ATOM 0 HB3 ALA A 58 -8.311 -8.815 2.622 1.00 0.48 H new ATOM 994 N PHE A 59 -6.686 -8.614 -0.815 1.00 0.52 N ATOM 995 CA PHE A 59 -6.076 -7.569 -1.634 1.00 0.49 C ATOM 996 C PHE A 59 -7.169 -6.742 -2.331 1.00 0.42 C ATOM 997 O PHE A 59 -8.192 -7.270 -2.771 1.00 0.45 O ATOM 998 CB PHE A 59 -5.071 -8.196 -2.629 1.00 0.52 C ATOM 999 CG PHE A 59 -5.488 -9.483 -3.342 1.00 0.54 C ATOM 1000 CD1 PHE A 59 -6.549 -9.484 -4.271 1.00 2.02 C ATOM 1001 CD2 PHE A 59 -4.797 -10.691 -3.098 1.00 1.69 C ATOM 1002 CE1 PHE A 59 -6.959 -10.678 -4.890 1.00 2.12 C ATOM 1003 CE2 PHE A 59 -5.206 -11.885 -3.719 1.00 1.66 C ATOM 1004 CZ PHE A 59 -6.295 -11.882 -4.606 1.00 0.81 C ATOM 0 H PHE A 59 -7.276 -9.241 -1.362 1.00 0.52 H new ATOM 0 HA PHE A 59 -5.512 -6.882 -1.003 1.00 0.49 H new ATOM 0 HB2 PHE A 59 -4.842 -7.450 -3.390 1.00 0.52 H new ATOM 0 HB3 PHE A 59 -4.145 -8.396 -2.090 1.00 0.52 H new ATOM 0 HD1 PHE A 59 -7.052 -8.558 -4.509 1.00 2.02 H new ATOM 0 HD2 PHE A 59 -3.949 -10.698 -2.430 1.00 1.69 H new ATOM 0 HE1 PHE A 59 -7.786 -10.669 -5.585 1.00 2.12 H new ATOM 0 HE2 PHE A 59 -4.681 -12.806 -3.513 1.00 1.66 H new ATOM 0 HZ PHE A 59 -6.620 -12.802 -5.068 1.00 0.81 H new ATOM 1014 N TYR A 60 -6.948 -5.430 -2.422 1.00 0.42 N ATOM 1015 CA TYR A 60 -7.850 -4.449 -3.031 1.00 0.47 C ATOM 1016 C TYR A 60 -7.035 -3.416 -3.822 1.00 0.49 C ATOM 1017 O TYR A 60 -6.074 -2.845 -3.301 1.00 0.52 O ATOM 1018 CB TYR A 60 -8.683 -3.750 -1.944 1.00 0.58 C ATOM 1019 CG TYR A 60 -9.479 -4.691 -1.061 1.00 0.56 C ATOM 1020 CD1 TYR A 60 -10.536 -5.440 -1.612 1.00 1.92 C ATOM 1021 CD2 TYR A 60 -9.140 -4.850 0.298 1.00 2.08 C ATOM 1022 CE1 TYR A 60 -11.244 -6.356 -0.816 1.00 2.05 C ATOM 1023 CE2 TYR A 60 -9.855 -5.756 1.106 1.00 1.99 C ATOM 1024 CZ TYR A 60 -10.911 -6.515 0.549 1.00 0.62 C ATOM 1025 OH TYR A 60 -11.606 -7.398 1.318 1.00 0.70 O ATOM 0 H TYR A 60 -6.097 -5.002 -2.057 1.00 0.42 H new ATOM 0 HA TYR A 60 -8.528 -4.963 -3.712 1.00 0.47 H new ATOM 0 HB2 TYR A 60 -8.016 -3.160 -1.316 1.00 0.58 H new ATOM 0 HB3 TYR A 60 -9.370 -3.052 -2.423 1.00 0.58 H new ATOM 0 HD1 TYR A 60 -10.804 -5.310 -2.650 1.00 1.92 H new ATOM 0 HD2 TYR A 60 -8.329 -4.275 0.721 1.00 2.08 H new ATOM 0 HE1 TYR A 60 -12.044 -6.940 -1.247 1.00 2.05 H new ATOM 0 HE2 TYR A 60 -9.597 -5.871 2.149 1.00 1.99 H new ATOM 0 HH TYR A 60 -11.251 -7.387 2.231 1.00 0.70 H new ATOM 1035 N THR A 61 -7.407 -3.170 -5.081 1.00 0.51 N ATOM 1036 CA THR A 61 -6.630 -2.348 -6.018 1.00 0.57 C ATOM 1037 C THR A 61 -7.485 -1.886 -7.186 1.00 0.65 C ATOM 1038 O THR A 61 -8.409 -2.583 -7.609 1.00 0.67 O ATOM 1039 CB THR A 61 -5.358 -3.081 -6.473 1.00 0.56 C ATOM 1040 OG1 THR A 61 -4.669 -2.234 -7.350 1.00 0.90 O ATOM 1041 CG2 THR A 61 -5.605 -4.395 -7.213 1.00 0.56 C ATOM 0 H THR A 61 -8.267 -3.540 -5.485 1.00 0.51 H new ATOM 0 HA THR A 61 -6.306 -1.449 -5.494 1.00 0.57 H new ATOM 0 HB THR A 61 -4.805 -3.328 -5.567 1.00 0.56 H new ATOM 0 HG1 THR A 61 -4.260 -2.766 -8.064 1.00 0.90 H new ATOM 0 HG21 THR A 61 -4.650 -4.839 -7.494 1.00 0.56 H new ATOM 0 HG22 THR A 61 -6.148 -5.082 -6.563 1.00 0.56 H new ATOM 0 HG23 THR A 61 -6.194 -4.202 -8.110 1.00 0.56 H new ATOM 1049 N ASN A 62 -7.160 -0.699 -7.693 1.00 0.77 N ATOM 1050 CA ASN A 62 -7.825 -0.068 -8.837 1.00 0.93 C ATOM 1051 C ASN A 62 -7.077 -0.329 -10.167 1.00 0.91 C ATOM 1052 O ASN A 62 -7.369 0.301 -11.184 1.00 1.09 O ATOM 1053 CB ASN A 62 -8.058 1.419 -8.506 1.00 1.18 C ATOM 1054 CG ASN A 62 -9.049 1.611 -7.348 1.00 2.89 C ATOM 1055 OD1 ASN A 62 -9.804 0.722 -6.969 1.00 4.00 O ATOM 1056 ND2 ASN A 62 -9.102 2.778 -6.739 1.00 3.60 N ATOM 0 H ASN A 62 -6.405 -0.131 -7.310 1.00 0.77 H new ATOM 0 HA ASN A 62 -8.801 -0.523 -9.006 1.00 0.93 H new ATOM 0 HB2 ASN A 62 -7.107 1.885 -8.248 1.00 1.18 H new ATOM 0 HB3 ASN A 62 -8.434 1.931 -9.392 1.00 1.18 H new ATOM 0 HD21 ASN A 62 -9.759 2.924 -5.973 1.00 3.60 H new ATOM 0 HD22 ASN A 62 -8.486 3.535 -7.033 1.00 3.60 H new ATOM 1063 N TYR A 63 -6.136 -1.285 -10.170 1.00 0.74 N ATOM 1064 CA TYR A 63 -5.399 -1.781 -11.341 1.00 0.73 C ATOM 1065 C TYR A 63 -6.295 -2.242 -12.519 1.00 0.86 C ATOM 1066 O TYR A 63 -7.453 -2.623 -12.300 1.00 0.97 O ATOM 1067 CB TYR A 63 -4.560 -2.995 -10.895 1.00 0.60 C ATOM 1068 CG TYR A 63 -3.351 -2.776 -10.006 1.00 0.48 C ATOM 1069 CD1 TYR A 63 -2.696 -1.532 -9.921 1.00 2.01 C ATOM 1070 CD2 TYR A 63 -2.866 -3.867 -9.261 1.00 1.78 C ATOM 1071 CE1 TYR A 63 -1.593 -1.361 -9.063 1.00 1.90 C ATOM 1072 CE2 TYR A 63 -1.746 -3.708 -8.425 1.00 1.90 C ATOM 1073 CZ TYR A 63 -1.105 -2.454 -8.318 1.00 0.44 C ATOM 1074 OH TYR A 63 -0.014 -2.301 -7.518 1.00 0.60 O ATOM 0 H TYR A 63 -5.854 -1.757 -9.311 1.00 0.74 H new ATOM 0 HA TYR A 63 -4.801 -0.946 -11.705 1.00 0.73 H new ATOM 0 HB2 TYR A 63 -5.228 -3.682 -10.376 1.00 0.60 H new ATOM 0 HB3 TYR A 63 -4.216 -3.504 -11.795 1.00 0.60 H new ATOM 0 HD1 TYR A 63 -3.043 -0.702 -10.519 1.00 2.01 H new ATOM 0 HD2 TYR A 63 -3.354 -4.828 -9.331 1.00 1.78 H new ATOM 0 HE1 TYR A 63 -1.121 -0.393 -8.976 1.00 1.90 H new ATOM 0 HE2 TYR A 63 -1.374 -4.551 -7.861 1.00 1.90 H new ATOM 0 HH TYR A 63 0.025 -1.378 -7.191 1.00 0.60 H new ATOM 1084 N PRO A 64 -5.752 -2.279 -13.756 1.00 0.83 N ATOM 1085 CA PRO A 64 -6.441 -2.818 -14.920 1.00 0.87 C ATOM 1086 C PRO A 64 -6.622 -4.332 -14.774 1.00 0.85 C ATOM 1087 O PRO A 64 -5.731 -5.033 -14.286 1.00 0.81 O ATOM 1088 CB PRO A 64 -5.582 -2.452 -16.137 1.00 0.89 C ATOM 1089 CG PRO A 64 -4.177 -2.272 -15.565 1.00 0.79 C ATOM 1090 CD PRO A 64 -4.432 -1.800 -14.138 1.00 0.78 C ATOM 0 HA PRO A 64 -7.443 -2.402 -15.031 1.00 0.87 H new ATOM 0 HB2 PRO A 64 -5.607 -3.237 -16.892 1.00 0.89 H new ATOM 0 HB3 PRO A 64 -5.937 -1.539 -16.615 1.00 0.89 H new ATOM 0 HG2 PRO A 64 -3.613 -3.205 -15.585 1.00 0.79 H new ATOM 0 HG3 PRO A 64 -3.603 -1.540 -16.133 1.00 0.79 H new ATOM 0 HD2 PRO A 64 -3.671 -2.190 -13.462 1.00 0.78 H new ATOM 0 HD3 PRO A 64 -4.385 -0.713 -14.078 1.00 0.78 H new ATOM 1098 N GLU A 65 -7.770 -4.846 -15.224 1.00 0.88 N ATOM 1099 CA GLU A 65 -8.132 -6.261 -15.085 1.00 0.87 C ATOM 1100 C GLU A 65 -7.133 -7.203 -15.779 1.00 0.87 C ATOM 1101 O GLU A 65 -6.957 -8.337 -15.345 1.00 0.84 O ATOM 1102 CB GLU A 65 -9.562 -6.479 -15.608 1.00 0.93 C ATOM 1103 CG GLU A 65 -9.663 -6.492 -17.140 1.00 1.02 C ATOM 1104 CD GLU A 65 -11.127 -6.521 -17.602 1.00 1.13 C ATOM 1105 OE1 GLU A 65 -11.741 -5.436 -17.742 1.00 2.29 O ATOM 1106 OE2 GLU A 65 -11.673 -7.625 -17.837 1.00 1.41 O ATOM 0 H GLU A 65 -8.480 -4.289 -15.699 1.00 0.88 H new ATOM 0 HA GLU A 65 -8.092 -6.513 -14.025 1.00 0.87 H new ATOM 0 HB2 GLU A 65 -9.941 -7.424 -15.220 1.00 0.93 H new ATOM 0 HB3 GLU A 65 -10.207 -5.692 -15.217 1.00 0.93 H new ATOM 0 HG2 GLU A 65 -9.168 -5.610 -17.547 1.00 1.02 H new ATOM 0 HG3 GLU A 65 -9.138 -7.362 -17.534 1.00 1.02 H new ATOM 1113 N ALA A 66 -6.441 -6.730 -16.822 1.00 0.91 N ATOM 1114 CA ALA A 66 -5.416 -7.488 -17.538 1.00 0.91 C ATOM 1115 C ALA A 66 -4.177 -7.751 -16.666 1.00 0.82 C ATOM 1116 O ALA A 66 -3.628 -8.853 -16.705 1.00 0.82 O ATOM 1117 CB ALA A 66 -5.074 -6.719 -18.819 1.00 0.96 C ATOM 0 H ALA A 66 -6.583 -5.792 -17.197 1.00 0.91 H new ATOM 0 HA ALA A 66 -5.798 -8.476 -17.795 1.00 0.91 H new ATOM 0 HB1 ALA A 66 -4.310 -7.261 -19.376 1.00 0.96 H new ATOM 0 HB2 ALA A 66 -5.969 -6.619 -19.433 1.00 0.96 H new ATOM 0 HB3 ALA A 66 -4.700 -5.729 -18.560 1.00 0.96 H new ATOM 1123 N TRP A 67 -3.787 -6.792 -15.815 1.00 0.76 N ATOM 1124 CA TRP A 67 -2.720 -6.986 -14.827 1.00 0.64 C ATOM 1125 C TRP A 67 -3.212 -7.837 -13.659 1.00 0.57 C ATOM 1126 O TRP A 67 -2.513 -8.748 -13.225 1.00 0.53 O ATOM 1127 CB TRP A 67 -2.206 -5.637 -14.304 1.00 0.63 C ATOM 1128 CG TRP A 67 -1.202 -5.748 -13.192 1.00 0.52 C ATOM 1129 CD1 TRP A 67 -1.345 -5.211 -11.962 1.00 0.68 C ATOM 1130 CD2 TRP A 67 0.066 -6.478 -13.154 1.00 0.51 C ATOM 1131 NE1 TRP A 67 -0.275 -5.554 -11.161 1.00 0.78 N ATOM 1132 CE2 TRP A 67 0.632 -6.325 -11.849 1.00 0.58 C ATOM 1133 CE3 TRP A 67 0.788 -7.278 -14.071 1.00 0.68 C ATOM 1134 CZ2 TRP A 67 1.857 -6.898 -11.483 1.00 0.66 C ATOM 1135 CZ3 TRP A 67 2.016 -7.855 -13.702 1.00 0.76 C ATOM 1136 CH2 TRP A 67 2.566 -7.641 -12.434 1.00 0.67 C ATOM 0 H TRP A 67 -4.203 -5.861 -15.793 1.00 0.76 H new ATOM 0 HA TRP A 67 -1.900 -7.506 -15.323 1.00 0.64 H new ATOM 0 HB2 TRP A 67 -1.756 -5.087 -15.131 1.00 0.63 H new ATOM 0 HB3 TRP A 67 -3.054 -5.049 -13.955 1.00 0.63 H new ATOM 0 HD1 TRP A 67 -2.179 -4.600 -11.649 1.00 0.68 H new ATOM 0 HE1 TRP A 67 -0.171 -5.272 -10.186 1.00 0.78 H new ATOM 0 HE3 TRP A 67 0.393 -7.447 -15.062 1.00 0.68 H new ATOM 0 HZ2 TRP A 67 2.247 -6.769 -10.484 1.00 0.66 H new ATOM 0 HZ3 TRP A 67 2.544 -8.475 -14.411 1.00 0.76 H new ATOM 0 HH2 TRP A 67 3.536 -8.048 -12.189 1.00 0.67 H new ATOM 1147 N VAL A 68 -4.427 -7.561 -13.175 1.00 0.59 N ATOM 1148 CA VAL A 68 -5.022 -8.268 -12.031 1.00 0.54 C ATOM 1149 C VAL A 68 -5.223 -9.753 -12.352 1.00 0.60 C ATOM 1150 O VAL A 68 -4.888 -10.609 -11.532 1.00 0.59 O ATOM 1151 CB VAL A 68 -6.348 -7.599 -11.602 1.00 0.54 C ATOM 1152 CG1 VAL A 68 -7.109 -8.386 -10.530 1.00 0.51 C ATOM 1153 CG2 VAL A 68 -6.083 -6.192 -11.044 1.00 0.51 C ATOM 0 H VAL A 68 -5.030 -6.838 -13.566 1.00 0.59 H new ATOM 0 HA VAL A 68 -4.331 -8.202 -11.191 1.00 0.54 H new ATOM 0 HB VAL A 68 -6.960 -7.564 -12.503 1.00 0.54 H new ATOM 0 HG11 VAL A 68 -8.029 -7.859 -10.276 1.00 0.51 H new ATOM 0 HG12 VAL A 68 -7.352 -9.378 -10.911 1.00 0.51 H new ATOM 0 HG13 VAL A 68 -6.488 -8.481 -9.639 1.00 0.51 H new ATOM 0 HG21 VAL A 68 -7.027 -5.735 -10.747 1.00 0.51 H new ATOM 0 HG22 VAL A 68 -5.425 -6.262 -10.178 1.00 0.51 H new ATOM 0 HG23 VAL A 68 -5.609 -5.580 -11.811 1.00 0.51 H new ATOM 1163 N SER A 69 -5.711 -10.072 -13.554 1.00 0.70 N ATOM 1164 CA SER A 69 -5.808 -11.457 -14.021 1.00 0.79 C ATOM 1165 C SER A 69 -4.426 -12.082 -14.233 1.00 0.83 C ATOM 1166 O SER A 69 -4.184 -13.167 -13.718 1.00 0.86 O ATOM 1167 CB SER A 69 -6.634 -11.532 -15.311 1.00 0.90 C ATOM 1168 OG SER A 69 -6.941 -12.877 -15.651 1.00 1.00 O ATOM 0 H SER A 69 -6.048 -9.383 -14.226 1.00 0.70 H new ATOM 0 HA SER A 69 -6.313 -12.031 -13.244 1.00 0.79 H new ATOM 0 HB2 SER A 69 -7.557 -10.966 -15.187 1.00 0.90 H new ATOM 0 HB3 SER A 69 -6.081 -11.066 -16.127 1.00 0.90 H new ATOM 0 HG SER A 69 -7.469 -12.893 -16.476 1.00 1.00 H new ATOM 1174 N TYR A 70 -3.479 -11.417 -14.908 1.00 0.84 N ATOM 1175 CA TYR A 70 -2.147 -11.979 -15.171 1.00 0.85 C ATOM 1176 C TYR A 70 -1.383 -12.294 -13.877 1.00 0.78 C ATOM 1177 O TYR A 70 -0.805 -13.374 -13.746 1.00 0.83 O ATOM 1178 CB TYR A 70 -1.385 -10.989 -16.055 1.00 0.86 C ATOM 1179 CG TYR A 70 0.031 -11.409 -16.364 1.00 0.86 C ATOM 1180 CD1 TYR A 70 0.274 -12.455 -17.270 1.00 1.71 C ATOM 1181 CD2 TYR A 70 1.102 -10.756 -15.736 1.00 1.96 C ATOM 1182 CE1 TYR A 70 1.597 -12.839 -17.565 1.00 1.71 C ATOM 1183 CE2 TYR A 70 2.427 -11.114 -16.044 1.00 1.99 C ATOM 1184 CZ TYR A 70 2.680 -12.154 -16.966 1.00 0.89 C ATOM 1185 OH TYR A 70 3.962 -12.500 -17.278 1.00 0.92 O ATOM 0 H TYR A 70 -3.613 -10.479 -15.286 1.00 0.84 H new ATOM 0 HA TYR A 70 -2.250 -12.934 -15.686 1.00 0.85 H new ATOM 0 HB2 TYR A 70 -1.928 -10.861 -16.991 1.00 0.86 H new ATOM 0 HB3 TYR A 70 -1.366 -10.017 -15.562 1.00 0.86 H new ATOM 0 HD1 TYR A 70 -0.554 -12.965 -17.740 1.00 1.71 H new ATOM 0 HD2 TYR A 70 0.909 -9.976 -15.014 1.00 1.96 H new ATOM 0 HE1 TYR A 70 1.784 -13.655 -18.247 1.00 1.71 H new ATOM 0 HE2 TYR A 70 3.250 -10.594 -15.576 1.00 1.99 H new ATOM 0 HH TYR A 70 4.585 -11.931 -16.780 1.00 0.92 H new ATOM 1195 N TYR A 71 -1.450 -11.398 -12.890 1.00 0.69 N ATOM 1196 CA TYR A 71 -0.850 -11.575 -11.571 1.00 0.65 C ATOM 1197 C TYR A 71 -1.423 -12.795 -10.830 1.00 0.69 C ATOM 1198 O TYR A 71 -0.671 -13.590 -10.267 1.00 0.72 O ATOM 1199 CB TYR A 71 -1.034 -10.278 -10.770 1.00 0.60 C ATOM 1200 CG TYR A 71 -0.374 -10.308 -9.407 1.00 0.82 C ATOM 1201 CD1 TYR A 71 -1.073 -10.810 -8.292 1.00 1.98 C ATOM 1202 CD2 TYR A 71 0.955 -9.871 -9.261 1.00 2.39 C ATOM 1203 CE1 TYR A 71 -0.446 -10.864 -7.034 1.00 2.32 C ATOM 1204 CE2 TYR A 71 1.587 -9.944 -8.006 1.00 2.65 C ATOM 1205 CZ TYR A 71 0.886 -10.426 -6.882 1.00 1.86 C ATOM 1206 OH TYR A 71 1.484 -10.460 -5.660 1.00 2.43 O ATOM 0 H TYR A 71 -1.936 -10.507 -12.991 1.00 0.69 H new ATOM 0 HA TYR A 71 0.214 -11.779 -11.689 1.00 0.65 H new ATOM 0 HB2 TYR A 71 -0.626 -9.446 -11.344 1.00 0.60 H new ATOM 0 HB3 TYR A 71 -2.100 -10.087 -10.644 1.00 0.60 H new ATOM 0 HD1 TYR A 71 -2.091 -11.154 -8.403 1.00 1.98 H new ATOM 0 HD2 TYR A 71 1.491 -9.479 -10.113 1.00 2.39 H new ATOM 0 HE1 TYR A 71 -0.988 -11.243 -6.180 1.00 2.32 H new ATOM 0 HE2 TYR A 71 2.615 -9.629 -7.903 1.00 2.65 H new ATOM 0 HH TYR A 71 0.803 -10.579 -4.966 1.00 2.43 H new ATOM 1216 N GLN A 72 -2.745 -12.975 -10.854 1.00 0.71 N ATOM 1217 CA GLN A 72 -3.409 -14.132 -10.250 1.00 0.76 C ATOM 1218 C GLN A 72 -3.199 -15.434 -11.044 1.00 0.86 C ATOM 1219 O GLN A 72 -2.973 -16.484 -10.446 1.00 0.92 O ATOM 1220 CB GLN A 72 -4.905 -13.813 -10.077 1.00 0.77 C ATOM 1221 CG GLN A 72 -5.160 -12.949 -8.826 1.00 0.79 C ATOM 1222 CD GLN A 72 -6.574 -13.150 -8.278 1.00 1.09 C ATOM 1223 OE1 GLN A 72 -6.840 -14.053 -7.496 1.00 1.42 O ATOM 1224 NE2 GLN A 72 -7.540 -12.347 -8.674 1.00 2.32 N ATOM 0 H GLN A 72 -3.389 -12.318 -11.296 1.00 0.71 H new ATOM 0 HA GLN A 72 -2.953 -14.313 -9.277 1.00 0.76 H new ATOM 0 HB2 GLN A 72 -5.271 -13.291 -10.961 1.00 0.77 H new ATOM 0 HB3 GLN A 72 -5.469 -14.742 -9.999 1.00 0.77 H new ATOM 0 HG2 GLN A 72 -4.432 -13.201 -8.055 1.00 0.79 H new ATOM 0 HG3 GLN A 72 -5.012 -11.898 -9.073 1.00 0.79 H new ATOM 0 HE21 GLN A 72 -7.338 -11.589 -9.325 1.00 2.32 H new ATOM 0 HE22 GLN A 72 -8.490 -12.484 -8.329 1.00 2.32 H new ATOM 1233 N ALA A 73 -3.260 -15.384 -12.377 1.00 0.90 N ATOM 1234 CA ALA A 73 -3.295 -16.552 -13.262 1.00 1.00 C ATOM 1235 C ALA A 73 -1.941 -17.275 -13.367 1.00 1.11 C ATOM 1236 O ALA A 73 -1.890 -18.503 -13.433 1.00 1.21 O ATOM 1237 CB ALA A 73 -3.796 -16.083 -14.637 1.00 1.05 C ATOM 0 H ALA A 73 -3.287 -14.501 -12.887 1.00 0.90 H new ATOM 0 HA ALA A 73 -3.973 -17.294 -12.840 1.00 1.00 H new ATOM 0 HB1 ALA A 73 -3.833 -16.932 -15.320 1.00 1.05 H new ATOM 0 HB2 ALA A 73 -4.794 -15.656 -14.534 1.00 1.05 H new ATOM 0 HB3 ALA A 73 -3.117 -15.328 -15.034 1.00 1.05 H new ATOM 1243 N LYS A 74 -0.843 -16.514 -13.363 1.00 1.12 N ATOM 1244 CA LYS A 74 0.537 -17.017 -13.260 1.00 1.22 C ATOM 1245 C LYS A 74 1.014 -17.166 -11.799 1.00 1.15 C ATOM 1246 O LYS A 74 2.140 -17.605 -11.555 1.00 1.22 O ATOM 1247 CB LYS A 74 1.432 -16.061 -14.070 1.00 1.27 C ATOM 1248 CG LYS A 74 1.661 -16.460 -15.534 1.00 1.25 C ATOM 1249 CD LYS A 74 0.449 -16.906 -16.366 1.00 1.41 C ATOM 1250 CE LYS A 74 -0.474 -15.728 -16.688 1.00 1.71 C ATOM 1251 NZ LYS A 74 -1.658 -16.168 -17.476 1.00 2.07 N ATOM 0 H LYS A 74 -0.888 -15.497 -13.433 1.00 1.12 H new ATOM 0 HA LYS A 74 0.592 -18.026 -13.668 1.00 1.22 H new ATOM 0 HB2 LYS A 74 0.987 -15.066 -14.047 1.00 1.27 H new ATOM 0 HB3 LYS A 74 2.400 -15.989 -13.575 1.00 1.27 H new ATOM 0 HG2 LYS A 74 2.119 -15.611 -16.042 1.00 1.25 H new ATOM 0 HG3 LYS A 74 2.390 -17.270 -15.548 1.00 1.25 H new ATOM 0 HD2 LYS A 74 0.792 -17.365 -17.293 1.00 1.41 H new ATOM 0 HD3 LYS A 74 -0.108 -17.668 -15.820 1.00 1.41 H new ATOM 0 HE2 LYS A 74 -0.805 -15.259 -15.761 1.00 1.71 H new ATOM 0 HE3 LYS A 74 0.078 -14.973 -17.248 1.00 1.71 H new ATOM 0 HZ1 LYS A 74 -2.264 -15.348 -17.679 1.00 2.07 H new ATOM 0 HZ2 LYS A 74 -1.341 -16.594 -18.370 1.00 2.07 H new ATOM 0 HZ3 LYS A 74 -2.197 -16.870 -16.930 1.00 2.07 H new ATOM 1265 N ASN A 75 0.165 -16.800 -10.831 1.00 1.04 N ATOM 1266 CA ASN A 75 0.375 -16.950 -9.386 1.00 1.00 C ATOM 1267 C ASN A 75 1.590 -16.139 -8.887 1.00 0.90 C ATOM 1268 O ASN A 75 2.432 -16.644 -8.141 1.00 0.95 O ATOM 1269 CB ASN A 75 0.439 -18.437 -8.984 1.00 1.22 C ATOM 1270 CG ASN A 75 -0.730 -19.263 -9.515 1.00 1.52 C ATOM 1271 OD1 ASN A 75 -0.599 -20.004 -10.482 1.00 2.48 O ATOM 1272 ND2 ASN A 75 -1.897 -19.167 -8.903 1.00 1.50 N ATOM 0 H ASN A 75 -0.734 -16.369 -11.046 1.00 1.04 H new ATOM 0 HA ASN A 75 -0.491 -16.524 -8.880 1.00 1.00 H new ATOM 0 HB2 ASN A 75 1.372 -18.865 -9.351 1.00 1.22 H new ATOM 0 HB3 ASN A 75 0.461 -18.510 -7.897 1.00 1.22 H new ATOM 0 HD21 ASN A 75 -2.693 -19.711 -9.235 1.00 1.50 H new ATOM 0 HD22 ASN A 75 -2.002 -18.549 -8.098 1.00 1.50 H new ATOM 1279 N PHE A 76 1.694 -14.867 -9.291 1.00 0.78 N ATOM 1280 CA PHE A 76 2.817 -13.988 -8.953 1.00 0.69 C ATOM 1281 C PHE A 76 2.920 -13.683 -7.451 1.00 0.66 C ATOM 1282 O PHE A 76 3.992 -13.284 -7.002 1.00 0.65 O ATOM 1283 CB PHE A 76 2.731 -12.708 -9.790 1.00 0.60 C ATOM 1284 CG PHE A 76 3.347 -12.820 -11.172 1.00 0.67 C ATOM 1285 CD1 PHE A 76 4.715 -12.546 -11.344 1.00 1.59 C ATOM 1286 CD2 PHE A 76 2.564 -13.169 -12.287 1.00 1.67 C ATOM 1287 CE1 PHE A 76 5.296 -12.587 -12.624 1.00 1.64 C ATOM 1288 CE2 PHE A 76 3.145 -13.204 -13.568 1.00 1.70 C ATOM 1289 CZ PHE A 76 4.508 -12.915 -13.737 1.00 0.83 C ATOM 0 H PHE A 76 0.988 -14.414 -9.871 1.00 0.78 H new ATOM 0 HA PHE A 76 3.738 -14.518 -9.198 1.00 0.69 H new ATOM 0 HB2 PHE A 76 1.683 -12.426 -9.894 1.00 0.60 H new ATOM 0 HB3 PHE A 76 3.226 -11.901 -9.249 1.00 0.60 H new ATOM 0 HD1 PHE A 76 5.325 -12.302 -10.486 1.00 1.59 H new ATOM 0 HD2 PHE A 76 1.519 -13.410 -12.160 1.00 1.67 H new ATOM 0 HE1 PHE A 76 6.346 -12.367 -12.750 1.00 1.64 H new ATOM 0 HE2 PHE A 76 2.539 -13.455 -14.426 1.00 1.70 H new ATOM 0 HZ PHE A 76 4.949 -12.945 -14.722 1.00 0.83 H new ATOM 1299 N LEU A 77 1.886 -13.993 -6.650 1.00 0.70 N ATOM 1300 CA LEU A 77 1.988 -14.060 -5.186 1.00 0.78 C ATOM 1301 C LEU A 77 3.155 -14.960 -4.707 1.00 0.90 C ATOM 1302 O LEU A 77 3.663 -14.764 -3.606 1.00 0.98 O ATOM 1303 CB LEU A 77 0.659 -14.547 -4.558 1.00 0.87 C ATOM 1304 CG LEU A 77 -0.532 -13.564 -4.589 1.00 0.99 C ATOM 1305 CD1 LEU A 77 -1.468 -13.799 -5.785 1.00 1.73 C ATOM 1306 CD2 LEU A 77 -1.383 -13.682 -3.316 1.00 1.10 C ATOM 0 H LEU A 77 0.953 -14.205 -7.004 1.00 0.70 H new ATOM 0 HA LEU A 77 2.197 -13.045 -4.849 1.00 0.78 H new ATOM 0 HB2 LEU A 77 0.357 -15.461 -5.069 1.00 0.87 H new ATOM 0 HB3 LEU A 77 0.852 -14.812 -3.519 1.00 0.87 H new ATOM 0 HG LEU A 77 -0.084 -12.574 -4.670 1.00 0.99 H new ATOM 0 HD11 LEU A 77 -2.286 -13.079 -5.754 1.00 1.73 H new ATOM 0 HD12 LEU A 77 -0.910 -13.675 -6.713 1.00 1.73 H new ATOM 0 HD13 LEU A 77 -1.873 -14.810 -5.737 1.00 1.73 H new ATOM 0 HD21 LEU A 77 -2.214 -12.978 -3.367 1.00 1.10 H new ATOM 0 HD22 LEU A 77 -1.772 -14.697 -3.231 1.00 1.10 H new ATOM 0 HD23 LEU A 77 -0.768 -13.455 -2.445 1.00 1.10 H new ATOM 1318 N ALA A 78 3.617 -15.918 -5.522 1.00 0.96 N ATOM 1319 CA ALA A 78 4.760 -16.777 -5.213 1.00 1.07 C ATOM 1320 C ALA A 78 6.129 -16.075 -5.336 1.00 1.00 C ATOM 1321 O ALA A 78 7.092 -16.527 -4.714 1.00 1.07 O ATOM 1322 CB ALA A 78 4.689 -17.986 -6.153 1.00 1.17 C ATOM 0 H ALA A 78 3.197 -16.118 -6.430 1.00 0.96 H new ATOM 0 HA ALA A 78 4.691 -17.071 -4.166 1.00 1.07 H new ATOM 0 HB1 ALA A 78 5.528 -18.652 -5.953 1.00 1.17 H new ATOM 0 HB2 ALA A 78 3.753 -18.521 -5.988 1.00 1.17 H new ATOM 0 HB3 ALA A 78 4.735 -17.646 -7.188 1.00 1.17 H new ATOM 1328 N ILE A 79 6.239 -15.002 -6.136 1.00 0.88 N ATOM 1329 CA ILE A 79 7.526 -14.342 -6.466 1.00 0.83 C ATOM 1330 C ILE A 79 7.571 -12.850 -6.108 1.00 0.76 C ATOM 1331 O ILE A 79 8.650 -12.259 -6.075 1.00 0.74 O ATOM 1332 CB ILE A 79 7.940 -14.603 -7.941 1.00 0.82 C ATOM 1333 CG1 ILE A 79 7.182 -13.805 -9.028 1.00 0.78 C ATOM 1334 CG2 ILE A 79 7.806 -16.099 -8.281 1.00 0.92 C ATOM 1335 CD1 ILE A 79 7.820 -12.450 -9.362 1.00 0.64 C ATOM 0 H ILE A 79 5.434 -14.560 -6.579 1.00 0.88 H new ATOM 0 HA ILE A 79 8.271 -14.810 -5.823 1.00 0.83 H new ATOM 0 HB ILE A 79 8.971 -14.251 -7.972 1.00 0.82 H new ATOM 0 HG12 ILE A 79 7.131 -14.405 -9.936 1.00 0.78 H new ATOM 0 HG13 ILE A 79 6.157 -13.641 -8.696 1.00 0.78 H new ATOM 0 HG21 ILE A 79 8.100 -16.264 -9.318 1.00 0.92 H new ATOM 0 HG22 ILE A 79 8.452 -16.681 -7.624 1.00 0.92 H new ATOM 0 HG23 ILE A 79 6.771 -16.412 -8.143 1.00 0.92 H new ATOM 0 HD11 ILE A 79 7.232 -11.951 -10.132 1.00 0.64 H new ATOM 0 HD12 ILE A 79 7.847 -11.830 -8.466 1.00 0.64 H new ATOM 0 HD13 ILE A 79 8.836 -12.606 -9.726 1.00 0.64 H new ATOM 1347 N ASP A 80 6.425 -12.238 -5.810 1.00 0.75 N ATOM 1348 CA ASP A 80 6.311 -10.833 -5.430 1.00 0.74 C ATOM 1349 C ASP A 80 6.755 -10.620 -3.959 1.00 0.75 C ATOM 1350 O ASP A 80 6.212 -11.275 -3.061 1.00 0.84 O ATOM 1351 CB ASP A 80 4.860 -10.382 -5.674 1.00 0.86 C ATOM 1352 CG ASP A 80 4.672 -8.872 -5.484 1.00 1.08 C ATOM 1353 OD1 ASP A 80 5.229 -8.332 -4.508 1.00 1.95 O ATOM 1354 OD2 ASP A 80 3.981 -8.232 -6.303 1.00 2.03 O ATOM 0 H ASP A 80 5.527 -12.721 -5.827 1.00 0.75 H new ATOM 0 HA ASP A 80 6.976 -10.221 -6.039 1.00 0.74 H new ATOM 0 HB2 ASP A 80 4.563 -10.657 -6.686 1.00 0.86 H new ATOM 0 HB3 ASP A 80 4.198 -10.916 -4.992 1.00 0.86 H new ATOM 1359 N PRO A 81 7.705 -9.700 -3.682 1.00 0.73 N ATOM 1360 CA PRO A 81 8.194 -9.428 -2.334 1.00 0.80 C ATOM 1361 C PRO A 81 7.263 -8.545 -1.485 1.00 0.86 C ATOM 1362 O PRO A 81 7.465 -8.494 -0.275 1.00 0.93 O ATOM 1363 CB PRO A 81 9.557 -8.759 -2.535 1.00 0.79 C ATOM 1364 CG PRO A 81 9.382 -8.005 -3.850 1.00 0.74 C ATOM 1365 CD PRO A 81 8.470 -8.928 -4.654 1.00 0.74 C ATOM 0 HA PRO A 81 8.251 -10.357 -1.767 1.00 0.80 H new ATOM 0 HB2 PRO A 81 9.800 -8.085 -1.713 1.00 0.79 H new ATOM 0 HB3 PRO A 81 10.361 -9.492 -2.595 1.00 0.79 H new ATOM 0 HG2 PRO A 81 8.931 -7.025 -3.697 1.00 0.74 H new ATOM 0 HG3 PRO A 81 10.336 -7.842 -4.352 1.00 0.74 H new ATOM 0 HD2 PRO A 81 7.808 -8.352 -5.301 1.00 0.74 H new ATOM 0 HD3 PRO A 81 9.054 -9.585 -5.299 1.00 0.74 H new ATOM 1373 N VAL A 82 6.265 -7.851 -2.056 1.00 0.82 N ATOM 1374 CA VAL A 82 5.431 -6.895 -1.300 1.00 0.88 C ATOM 1375 C VAL A 82 4.476 -7.574 -0.298 1.00 0.99 C ATOM 1376 O VAL A 82 3.928 -6.918 0.587 1.00 1.10 O ATOM 1377 CB VAL A 82 4.677 -5.863 -2.179 1.00 0.82 C ATOM 1378 CG1 VAL A 82 5.537 -5.254 -3.301 1.00 2.06 C ATOM 1379 CG2 VAL A 82 3.305 -6.330 -2.705 1.00 2.08 C ATOM 0 H VAL A 82 6.014 -7.933 -3.041 1.00 0.82 H new ATOM 0 HA VAL A 82 6.160 -6.326 -0.723 1.00 0.88 H new ATOM 0 HB VAL A 82 4.460 -5.061 -1.474 1.00 0.82 H new ATOM 0 HG11 VAL A 82 4.940 -4.542 -3.871 1.00 2.06 H new ATOM 0 HG12 VAL A 82 6.394 -4.741 -2.865 1.00 2.06 H new ATOM 0 HG13 VAL A 82 5.887 -6.047 -3.962 1.00 2.06 H new ATOM 0 HG21 VAL A 82 2.858 -5.539 -3.308 1.00 2.08 H new ATOM 0 HG22 VAL A 82 3.434 -7.223 -3.316 1.00 2.08 H new ATOM 0 HG23 VAL A 82 2.651 -6.558 -1.863 1.00 2.08 H new ATOM 1389 N LEU A 83 4.298 -8.897 -0.396 1.00 1.03 N ATOM 1390 CA LEU A 83 3.590 -9.704 0.605 1.00 1.14 C ATOM 1391 C LEU A 83 4.524 -10.433 1.585 1.00 1.13 C ATOM 1392 O LEU A 83 4.049 -10.978 2.579 1.00 1.12 O ATOM 1393 CB LEU A 83 2.560 -10.609 -0.093 1.00 1.17 C ATOM 1394 CG LEU A 83 3.086 -11.621 -1.131 1.00 1.11 C ATOM 1395 CD1 LEU A 83 3.806 -12.823 -0.499 1.00 1.18 C ATOM 1396 CD2 LEU A 83 1.879 -12.126 -1.929 1.00 1.21 C ATOM 0 H LEU A 83 4.646 -9.444 -1.183 1.00 1.03 H new ATOM 0 HA LEU A 83 3.038 -9.030 1.260 1.00 1.14 H new ATOM 0 HB2 LEU A 83 2.025 -11.165 0.677 1.00 1.17 H new ATOM 0 HB3 LEU A 83 1.831 -9.968 -0.588 1.00 1.17 H new ATOM 0 HG LEU A 83 3.820 -11.115 -1.758 1.00 1.11 H new ATOM 0 HD11 LEU A 83 4.150 -13.495 -1.285 1.00 1.18 H new ATOM 0 HD12 LEU A 83 4.661 -12.472 0.079 1.00 1.18 H new ATOM 0 HD13 LEU A 83 3.118 -13.355 0.158 1.00 1.18 H new ATOM 0 HD21 LEU A 83 2.212 -12.847 -2.676 1.00 1.21 H new ATOM 0 HD22 LEU A 83 1.171 -12.605 -1.253 1.00 1.21 H new ATOM 0 HD23 LEU A 83 1.394 -11.286 -2.426 1.00 1.21 H new ATOM 1408 N ASN A 84 5.839 -10.422 1.358 1.00 1.11 N ATOM 1409 CA ASN A 84 6.811 -11.140 2.184 1.00 1.04 C ATOM 1410 C ASN A 84 7.277 -10.292 3.383 1.00 0.97 C ATOM 1411 O ASN A 84 8.046 -9.357 3.155 1.00 0.85 O ATOM 1412 CB ASN A 84 8.020 -11.507 1.312 1.00 0.93 C ATOM 1413 CG ASN A 84 9.024 -12.401 2.047 1.00 1.42 C ATOM 1414 OD1 ASN A 84 8.856 -12.748 3.211 1.00 2.12 O ATOM 1415 ND2 ASN A 84 10.110 -12.780 1.404 1.00 1.73 N ATOM 0 H ASN A 84 6.264 -9.908 0.586 1.00 1.11 H new ATOM 0 HA ASN A 84 6.335 -12.037 2.580 1.00 1.04 H new ATOM 0 HB2 ASN A 84 7.674 -12.017 0.413 1.00 0.93 H new ATOM 0 HB3 ASN A 84 8.520 -10.595 0.988 1.00 0.93 H new ATOM 0 HD21 ASN A 84 10.805 -13.359 1.875 1.00 1.73 H new ATOM 0 HD22 ASN A 84 10.255 -12.494 0.436 1.00 1.73 H new ATOM 1422 N PRO A 85 6.921 -10.621 4.644 1.00 1.14 N ATOM 1423 CA PRO A 85 7.278 -9.810 5.811 1.00 1.21 C ATOM 1424 C PRO A 85 8.797 -9.686 6.026 1.00 1.10 C ATOM 1425 O PRO A 85 9.246 -8.723 6.645 1.00 1.15 O ATOM 1426 CB PRO A 85 6.592 -10.492 7.000 1.00 1.45 C ATOM 1427 CG PRO A 85 6.473 -11.949 6.565 1.00 1.48 C ATOM 1428 CD PRO A 85 6.201 -11.817 5.068 1.00 1.35 C ATOM 0 HA PRO A 85 6.946 -8.780 5.678 1.00 1.21 H new ATOM 0 HB2 PRO A 85 7.181 -10.394 7.912 1.00 1.45 H new ATOM 0 HB3 PRO A 85 5.615 -10.054 7.203 1.00 1.45 H new ATOM 0 HG2 PRO A 85 7.386 -12.510 6.765 1.00 1.48 H new ATOM 0 HG3 PRO A 85 5.663 -12.464 7.082 1.00 1.48 H new ATOM 0 HD2 PRO A 85 6.549 -12.697 4.527 1.00 1.35 H new ATOM 0 HD3 PRO A 85 5.133 -11.723 4.870 1.00 1.35 H new ATOM 1436 N GLU A 86 9.592 -10.627 5.501 1.00 1.04 N ATOM 1437 CA GLU A 86 11.056 -10.640 5.620 1.00 1.02 C ATOM 1438 C GLU A 86 11.752 -9.567 4.758 1.00 0.98 C ATOM 1439 O GLU A 86 12.843 -9.116 5.113 1.00 1.01 O ATOM 1440 CB GLU A 86 11.600 -12.031 5.265 1.00 1.08 C ATOM 1441 CG GLU A 86 11.072 -13.136 6.193 1.00 1.25 C ATOM 1442 CD GLU A 86 11.650 -14.509 5.813 1.00 2.10 C ATOM 1443 OE1 GLU A 86 12.854 -14.754 6.067 1.00 3.55 O ATOM 1444 OE2 GLU A 86 10.904 -15.361 5.274 1.00 2.68 O ATOM 0 H GLU A 86 9.228 -11.418 4.970 1.00 1.04 H new ATOM 0 HA GLU A 86 11.284 -10.400 6.659 1.00 1.02 H new ATOM 0 HB2 GLU A 86 11.331 -12.269 4.236 1.00 1.08 H new ATOM 0 HB3 GLU A 86 12.689 -12.013 5.313 1.00 1.08 H new ATOM 0 HG2 GLU A 86 11.333 -12.902 7.225 1.00 1.25 H new ATOM 0 HG3 GLU A 86 9.984 -13.170 6.139 1.00 1.25 H new ATOM 1451 N ASN A 87 11.141 -9.129 3.647 1.00 0.93 N ATOM 1452 CA ASN A 87 11.678 -8.047 2.806 1.00 0.87 C ATOM 1453 C ASN A 87 11.532 -6.654 3.456 1.00 0.93 C ATOM 1454 O ASN A 87 12.267 -5.728 3.106 1.00 0.94 O ATOM 1455 CB ASN A 87 10.994 -8.072 1.425 1.00 0.83 C ATOM 1456 CG ASN A 87 11.598 -9.124 0.499 1.00 1.76 C ATOM 1457 OD1 ASN A 87 11.027 -10.177 0.252 1.00 3.37 O ATOM 1458 ND2 ASN A 87 12.776 -8.870 -0.047 1.00 1.65 N ATOM 0 H ASN A 87 10.261 -9.515 3.306 1.00 0.93 H new ATOM 0 HA ASN A 87 12.747 -8.226 2.692 1.00 0.87 H new ATOM 0 HB2 ASN A 87 9.930 -8.271 1.552 1.00 0.83 H new ATOM 0 HB3 ASN A 87 11.081 -7.090 0.961 1.00 0.83 H new ATOM 0 HD21 ASN A 87 13.206 -9.552 -0.672 1.00 1.65 H new ATOM 0 HD22 ASN A 87 13.254 -7.993 0.157 1.00 1.65 H new ATOM 1465 N PHE A 88 10.605 -6.500 4.407 1.00 1.01 N ATOM 1466 CA PHE A 88 10.304 -5.245 5.095 1.00 1.11 C ATOM 1467 C PHE A 88 11.198 -5.060 6.330 1.00 1.30 C ATOM 1468 O PHE A 88 10.732 -5.046 7.469 1.00 1.44 O ATOM 1469 CB PHE A 88 8.811 -5.211 5.434 1.00 1.16 C ATOM 1470 CG PHE A 88 7.935 -5.223 4.208 1.00 1.03 C ATOM 1471 CD1 PHE A 88 7.663 -4.026 3.527 1.00 1.47 C ATOM 1472 CD2 PHE A 88 7.424 -6.439 3.731 1.00 2.32 C ATOM 1473 CE1 PHE A 88 6.832 -4.045 2.401 1.00 1.48 C ATOM 1474 CE2 PHE A 88 6.658 -6.477 2.554 1.00 2.27 C ATOM 1475 CZ PHE A 88 6.342 -5.266 1.910 1.00 0.91 C ATOM 0 H PHE A 88 10.024 -7.274 4.729 1.00 1.01 H new ATOM 0 HA PHE A 88 10.524 -4.402 4.441 1.00 1.11 H new ATOM 0 HB2 PHE A 88 8.565 -6.069 6.059 1.00 1.16 H new ATOM 0 HB3 PHE A 88 8.596 -4.317 6.020 1.00 1.16 H new ATOM 0 HD1 PHE A 88 8.092 -3.096 3.870 1.00 1.47 H new ATOM 0 HD2 PHE A 88 7.621 -7.353 4.272 1.00 2.32 H new ATOM 0 HE1 PHE A 88 6.568 -3.120 1.910 1.00 1.48 H new ATOM 0 HE2 PHE A 88 6.317 -7.419 2.150 1.00 2.27 H new ATOM 0 HZ PHE A 88 5.717 -5.276 1.030 1.00 0.91 H new ATOM 1485 N SER A 89 12.501 -4.897 6.109 1.00 1.30 N ATOM 1486 CA SER A 89 13.511 -4.905 7.185 1.00 1.44 C ATOM 1487 C SER A 89 13.457 -3.646 8.072 1.00 1.55 C ATOM 1488 O SER A 89 13.929 -3.656 9.210 1.00 1.69 O ATOM 1489 CB SER A 89 14.913 -5.044 6.572 1.00 1.43 C ATOM 1490 OG SER A 89 15.002 -6.154 5.683 1.00 1.29 O ATOM 0 H SER A 89 12.895 -4.755 5.179 1.00 1.30 H new ATOM 0 HA SER A 89 13.286 -5.756 7.828 1.00 1.44 H new ATOM 0 HB2 SER A 89 15.166 -4.129 6.036 1.00 1.43 H new ATOM 0 HB3 SER A 89 15.647 -5.159 7.370 1.00 1.43 H new ATOM 0 HG SER A 89 15.908 -6.206 5.314 1.00 1.29 H new ATOM 1496 N GLN A 90 12.837 -2.573 7.566 1.00 1.51 N ATOM 1497 CA GLN A 90 12.478 -1.352 8.300 1.00 1.62 C ATOM 1498 C GLN A 90 10.972 -1.027 8.140 1.00 1.56 C ATOM 1499 O GLN A 90 10.557 0.124 8.282 1.00 1.60 O ATOM 1500 CB GLN A 90 13.379 -0.197 7.814 1.00 1.63 C ATOM 1501 CG GLN A 90 14.870 -0.433 8.116 1.00 1.74 C ATOM 1502 CD GLN A 90 15.727 0.779 7.747 1.00 1.64 C ATOM 1503 OE1 GLN A 90 15.843 1.745 8.493 1.00 2.08 O ATOM 1504 NE2 GLN A 90 16.352 0.793 6.586 1.00 2.53 N ATOM 0 H GLN A 90 12.558 -2.530 6.586 1.00 1.51 H new ATOM 0 HA GLN A 90 12.646 -1.500 9.367 1.00 1.62 H new ATOM 0 HB2 GLN A 90 13.247 -0.067 6.740 1.00 1.63 H new ATOM 0 HB3 GLN A 90 13.060 0.731 8.289 1.00 1.63 H new ATOM 0 HG2 GLN A 90 14.995 -0.656 9.176 1.00 1.74 H new ATOM 0 HG3 GLN A 90 15.218 -1.305 7.563 1.00 1.74 H new ATOM 0 HE21 GLN A 90 16.268 -0.001 5.952 1.00 2.53 H new ATOM 0 HE22 GLN A 90 16.920 1.598 6.322 1.00 2.53 H new ATOM 1513 N GLY A 91 10.149 -2.026 7.780 1.00 1.48 N ATOM 1514 CA GLY A 91 8.719 -1.868 7.462 1.00 1.50 C ATOM 1515 C GLY A 91 8.441 -1.209 6.100 1.00 1.24 C ATOM 1516 O GLY A 91 7.295 -0.915 5.776 1.00 1.45 O ATOM 0 H GLY A 91 10.468 -2.992 7.700 1.00 1.48 H new ATOM 0 HA2 GLY A 91 8.244 -2.849 7.481 1.00 1.50 H new ATOM 0 HA3 GLY A 91 8.249 -1.271 8.244 1.00 1.50 H new ATOM 1520 N HIS A 92 9.467 -0.981 5.277 1.00 0.91 N ATOM 1521 CA HIS A 92 9.363 -0.279 3.992 1.00 0.80 C ATOM 1522 C HIS A 92 10.047 -1.062 2.858 1.00 0.77 C ATOM 1523 O HIS A 92 10.968 -1.850 3.098 1.00 0.85 O ATOM 1524 CB HIS A 92 9.961 1.133 4.140 1.00 0.83 C ATOM 1525 CG HIS A 92 9.790 1.992 2.906 1.00 0.78 C ATOM 1526 ND1 HIS A 92 8.595 2.452 2.398 1.00 0.72 N ATOM 1527 CD2 HIS A 92 10.765 2.359 2.014 1.00 0.81 C ATOM 1528 CE1 HIS A 92 8.842 3.049 1.223 1.00 0.72 C ATOM 1529 NE2 HIS A 92 10.158 3.038 0.951 1.00 0.77 N ATOM 0 H HIS A 92 10.417 -1.286 5.489 1.00 0.91 H new ATOM 0 HA HIS A 92 8.311 -0.197 3.719 1.00 0.80 H new ATOM 0 HB2 HIS A 92 9.491 1.631 4.988 1.00 0.83 H new ATOM 0 HB3 HIS A 92 11.023 1.047 4.369 1.00 0.83 H new ATOM 0 HD2 HIS A 92 11.821 2.158 2.115 1.00 0.81 H new ATOM 0 HE1 HIS A 92 8.087 3.480 0.583 1.00 0.72 H new ATOM 0 HE2 HIS A 92 10.620 3.442 0.136 1.00 0.77 H new ATOM 1537 N LEU A 93 9.588 -0.829 1.625 1.00 0.72 N ATOM 1538 CA LEU A 93 10.046 -1.477 0.399 1.00 0.74 C ATOM 1539 C LEU A 93 9.943 -0.471 -0.765 1.00 0.69 C ATOM 1540 O LEU A 93 9.051 0.378 -0.779 1.00 0.63 O ATOM 1541 CB LEU A 93 9.195 -2.754 0.230 1.00 0.77 C ATOM 1542 CG LEU A 93 9.667 -3.784 -0.807 1.00 0.86 C ATOM 1543 CD1 LEU A 93 11.069 -4.286 -0.463 1.00 1.04 C ATOM 1544 CD2 LEU A 93 8.720 -4.991 -0.788 1.00 1.77 C ATOM 0 H LEU A 93 8.849 -0.148 1.449 1.00 0.72 H new ATOM 0 HA LEU A 93 11.093 -1.779 0.427 1.00 0.74 H new ATOM 0 HB2 LEU A 93 9.138 -3.252 1.198 1.00 0.77 H new ATOM 0 HB3 LEU A 93 8.181 -2.451 -0.033 1.00 0.77 H new ATOM 0 HG LEU A 93 9.675 -3.307 -1.787 1.00 0.86 H new ATOM 0 HD11 LEU A 93 11.387 -5.015 -1.208 1.00 1.04 H new ATOM 0 HD12 LEU A 93 11.764 -3.447 -0.456 1.00 1.04 H new ATOM 0 HD13 LEU A 93 11.056 -4.755 0.521 1.00 1.04 H new ATOM 0 HD21 LEU A 93 9.051 -5.725 -1.523 1.00 1.77 H new ATOM 0 HD22 LEU A 93 8.726 -5.443 0.204 1.00 1.77 H new ATOM 0 HD23 LEU A 93 7.709 -4.664 -1.032 1.00 1.77 H new ATOM 1556 N MET A 94 10.875 -0.516 -1.722 1.00 0.68 N ATOM 1557 CA MET A 94 11.071 0.579 -2.688 1.00 0.51 C ATOM 1558 C MET A 94 11.556 0.059 -4.045 1.00 0.61 C ATOM 1559 O MET A 94 12.480 -0.756 -4.100 1.00 0.89 O ATOM 1560 CB MET A 94 12.072 1.579 -2.086 1.00 0.80 C ATOM 1561 CG MET A 94 11.827 2.996 -2.597 1.00 0.98 C ATOM 1562 SD MET A 94 13.209 4.110 -2.256 1.00 0.92 S ATOM 1563 CE MET A 94 12.368 5.229 -1.120 1.00 0.68 C ATOM 0 H MET A 94 11.511 -1.303 -1.852 1.00 0.68 H new ATOM 0 HA MET A 94 10.117 1.073 -2.873 1.00 0.51 H new ATOM 0 HB2 MET A 94 11.992 1.565 -0.999 1.00 0.80 H new ATOM 0 HB3 MET A 94 13.088 1.272 -2.335 1.00 0.80 H new ATOM 0 HG2 MET A 94 11.648 2.964 -3.672 1.00 0.98 H new ATOM 0 HG3 MET A 94 10.923 3.393 -2.135 1.00 0.98 H new ATOM 0 HE1 MET A 94 12.933 6.158 -1.039 1.00 0.68 H new ATOM 0 HE2 MET A 94 11.368 5.444 -1.495 1.00 0.68 H new ATOM 0 HE3 MET A 94 12.294 4.762 -0.138 1.00 0.68 H new ATOM 1573 N TRP A 95 10.921 0.487 -5.142 1.00 0.57 N ATOM 1574 CA TRP A 95 11.067 -0.196 -6.433 1.00 0.63 C ATOM 1575 C TRP A 95 12.308 0.281 -7.209 1.00 0.66 C ATOM 1576 O TRP A 95 12.347 1.392 -7.744 1.00 0.64 O ATOM 1577 CB TRP A 95 9.791 -0.042 -7.285 1.00 0.58 C ATOM 1578 CG TRP A 95 8.475 -0.542 -6.747 1.00 0.59 C ATOM 1579 CD1 TRP A 95 8.201 -0.927 -5.478 1.00 0.73 C ATOM 1580 CD2 TRP A 95 7.194 -0.625 -7.454 1.00 0.57 C ATOM 1581 NE1 TRP A 95 6.855 -1.188 -5.346 1.00 0.73 N ATOM 1582 CE2 TRP A 95 6.173 -0.966 -6.517 1.00 0.63 C ATOM 1583 CE3 TRP A 95 6.779 -0.374 -8.780 1.00 0.66 C ATOM 1584 CZ2 TRP A 95 4.810 -0.985 -6.849 1.00 0.72 C ATOM 1585 CZ3 TRP A 95 5.413 -0.368 -9.124 1.00 0.87 C ATOM 1586 CH2 TRP A 95 4.428 -0.661 -8.162 1.00 0.86 C ATOM 0 H TRP A 95 10.304 1.299 -5.162 1.00 0.57 H new ATOM 0 HA TRP A 95 11.213 -1.255 -6.219 1.00 0.63 H new ATOM 0 HB2 TRP A 95 9.672 1.019 -7.506 1.00 0.58 H new ATOM 0 HB3 TRP A 95 9.969 -0.547 -8.234 1.00 0.58 H new ATOM 0 HD1 TRP A 95 8.930 -1.016 -4.686 1.00 0.73 H new ATOM 0 HE1 TRP A 95 6.417 -1.508 -4.482 1.00 0.73 H new ATOM 0 HE3 TRP A 95 7.520 -0.184 -9.542 1.00 0.66 H new ATOM 0 HZ2 TRP A 95 4.068 -1.244 -6.109 1.00 0.72 H new ATOM 0 HZ3 TRP A 95 5.118 -0.136 -10.137 1.00 0.87 H new ATOM 0 HH2 TRP A 95 3.383 -0.637 -8.432 1.00 0.86 H new ATOM 1597 N ASN A 96 13.290 -0.613 -7.319 1.00 0.75 N ATOM 1598 CA ASN A 96 14.502 -0.490 -8.136 1.00 0.75 C ATOM 1599 C ASN A 96 14.717 -1.781 -8.943 1.00 0.70 C ATOM 1600 O ASN A 96 14.236 -2.843 -8.555 1.00 0.69 O ATOM 1601 CB ASN A 96 15.702 -0.187 -7.222 1.00 0.85 C ATOM 1602 CG ASN A 96 15.608 1.196 -6.577 1.00 1.24 C ATOM 1603 OD1 ASN A 96 15.338 2.193 -7.235 1.00 1.83 O ATOM 1604 ND2 ASN A 96 15.825 1.303 -5.278 1.00 2.26 N ATOM 0 H ASN A 96 13.261 -1.497 -6.810 1.00 0.75 H new ATOM 0 HA ASN A 96 14.396 0.332 -8.844 1.00 0.75 H new ATOM 0 HB2 ASN A 96 15.762 -0.946 -6.442 1.00 0.85 H new ATOM 0 HB3 ASN A 96 16.623 -0.253 -7.802 1.00 0.85 H new ATOM 0 HD21 ASN A 96 15.768 2.215 -4.825 1.00 2.26 H new ATOM 0 HD22 ASN A 96 16.050 0.474 -4.729 1.00 2.26 H new ATOM 1611 N ASP A 97 15.459 -1.721 -10.050 1.00 0.69 N ATOM 1612 CA ASP A 97 15.750 -2.876 -10.915 1.00 0.62 C ATOM 1613 C ASP A 97 16.450 -4.038 -10.177 1.00 0.56 C ATOM 1614 O ASP A 97 16.245 -5.199 -10.526 1.00 0.52 O ATOM 1615 CB ASP A 97 16.514 -2.413 -12.167 1.00 0.59 C ATOM 1616 CG ASP A 97 17.806 -1.637 -11.860 1.00 2.69 C ATOM 1617 OD1 ASP A 97 17.705 -0.461 -11.433 1.00 3.33 O ATOM 1618 OD2 ASP A 97 18.909 -2.189 -12.077 1.00 4.37 O ATOM 0 H ASP A 97 15.884 -0.855 -10.380 1.00 0.69 H new ATOM 0 HA ASP A 97 14.797 -3.298 -11.234 1.00 0.62 H new ATOM 0 HB2 ASP A 97 16.761 -3.285 -12.772 1.00 0.59 H new ATOM 0 HB3 ASP A 97 15.858 -1.783 -12.768 1.00 0.59 H new ATOM 1623 N ASP A 98 17.231 -3.740 -9.132 1.00 0.60 N ATOM 1624 CA ASP A 98 17.767 -4.720 -8.175 1.00 0.61 C ATOM 1625 C ASP A 98 16.671 -5.471 -7.390 1.00 0.53 C ATOM 1626 O ASP A 98 16.735 -6.693 -7.248 1.00 0.60 O ATOM 1627 CB ASP A 98 18.663 -3.980 -7.172 1.00 0.80 C ATOM 1628 CG ASP A 98 20.035 -3.623 -7.761 1.00 1.48 C ATOM 1629 OD1 ASP A 98 20.871 -4.542 -7.934 1.00 2.89 O ATOM 1630 OD2 ASP A 98 20.285 -2.420 -8.018 1.00 2.15 O ATOM 0 H ASP A 98 17.517 -2.784 -8.921 1.00 0.60 H new ATOM 0 HA ASP A 98 18.319 -5.464 -8.750 1.00 0.61 H new ATOM 0 HB2 ASP A 98 18.162 -3.068 -6.847 1.00 0.80 H new ATOM 0 HB3 ASP A 98 18.802 -4.601 -6.287 1.00 0.80 H new ATOM 1635 N LEU A 99 15.656 -4.750 -6.897 1.00 0.48 N ATOM 1636 CA LEU A 99 14.523 -5.295 -6.135 1.00 0.54 C ATOM 1637 C LEU A 99 13.715 -6.286 -6.994 1.00 0.53 C ATOM 1638 O LEU A 99 13.252 -7.317 -6.505 1.00 0.69 O ATOM 1639 CB LEU A 99 13.673 -4.102 -5.624 1.00 0.63 C ATOM 1640 CG LEU A 99 12.934 -4.266 -4.281 1.00 0.67 C ATOM 1641 CD1 LEU A 99 11.969 -5.456 -4.249 1.00 1.83 C ATOM 1642 CD2 LEU A 99 13.930 -4.332 -3.116 1.00 1.44 C ATOM 0 H LEU A 99 15.598 -3.739 -7.021 1.00 0.48 H new ATOM 0 HA LEU A 99 14.871 -5.867 -5.275 1.00 0.54 H new ATOM 0 HB2 LEU A 99 14.329 -3.235 -5.541 1.00 0.63 H new ATOM 0 HB3 LEU A 99 12.931 -3.869 -6.388 1.00 0.63 H new ATOM 0 HG LEU A 99 12.313 -3.378 -4.168 1.00 0.67 H new ATOM 0 HD11 LEU A 99 11.486 -5.507 -3.273 1.00 1.83 H new ATOM 0 HD12 LEU A 99 11.211 -5.331 -5.022 1.00 1.83 H new ATOM 0 HD13 LEU A 99 12.522 -6.378 -4.429 1.00 1.83 H new ATOM 0 HD21 LEU A 99 13.386 -4.448 -2.178 1.00 1.44 H new ATOM 0 HD22 LEU A 99 14.597 -5.182 -3.256 1.00 1.44 H new ATOM 0 HD23 LEU A 99 14.515 -3.413 -3.085 1.00 1.44 H new ATOM 1654 N PHE A 100 13.623 -6.007 -8.296 1.00 0.50 N ATOM 1655 CA PHE A 100 12.943 -6.828 -9.298 1.00 0.56 C ATOM 1656 C PHE A 100 13.920 -7.702 -10.117 1.00 0.55 C ATOM 1657 O PHE A 100 13.580 -8.155 -11.207 1.00 0.65 O ATOM 1658 CB PHE A 100 12.074 -5.914 -10.174 1.00 0.63 C ATOM 1659 CG PHE A 100 10.885 -5.315 -9.441 1.00 0.63 C ATOM 1660 CD1 PHE A 100 11.071 -4.242 -8.550 1.00 1.56 C ATOM 1661 CD2 PHE A 100 9.591 -5.837 -9.624 1.00 1.40 C ATOM 1662 CE1 PHE A 100 9.986 -3.704 -7.845 1.00 1.56 C ATOM 1663 CE2 PHE A 100 8.498 -5.261 -8.956 1.00 1.41 C ATOM 1664 CZ PHE A 100 8.694 -4.200 -8.058 1.00 0.70 C ATOM 0 H PHE A 100 14.039 -5.166 -8.697 1.00 0.50 H new ATOM 0 HA PHE A 100 12.297 -7.546 -8.793 1.00 0.56 H new ATOM 0 HB2 PHE A 100 12.692 -5.106 -10.566 1.00 0.63 H new ATOM 0 HB3 PHE A 100 11.712 -6.483 -11.030 1.00 0.63 H new ATOM 0 HD1 PHE A 100 12.059 -3.829 -8.408 1.00 1.56 H new ATOM 0 HD2 PHE A 100 9.438 -6.682 -10.279 1.00 1.40 H new ATOM 0 HE1 PHE A 100 10.147 -2.905 -7.136 1.00 1.56 H new ATOM 0 HE2 PHE A 100 7.501 -5.636 -9.134 1.00 1.41 H new ATOM 0 HZ PHE A 100 7.853 -3.769 -7.535 1.00 0.70 H new ATOM 1674 N SER A 101 15.140 -7.954 -9.628 1.00 0.52 N ATOM 1675 CA SER A 101 16.161 -8.704 -10.383 1.00 0.57 C ATOM 1676 C SER A 101 15.810 -10.200 -10.549 1.00 0.66 C ATOM 1677 O SER A 101 16.069 -10.786 -11.603 1.00 0.79 O ATOM 1678 CB SER A 101 17.537 -8.501 -9.729 1.00 0.63 C ATOM 1679 OG SER A 101 18.575 -9.098 -10.495 1.00 0.73 O ATOM 0 H SER A 101 15.450 -7.648 -8.705 1.00 0.52 H new ATOM 0 HA SER A 101 16.190 -8.304 -11.397 1.00 0.57 H new ATOM 0 HB2 SER A 101 17.734 -7.435 -9.618 1.00 0.63 H new ATOM 0 HB3 SER A 101 17.531 -8.930 -8.727 1.00 0.63 H new ATOM 0 HG SER A 101 19.436 -8.949 -10.052 1.00 0.73 H new ATOM 1685 N GLU A 102 15.134 -10.806 -9.561 1.00 0.67 N ATOM 1686 CA GLU A 102 14.416 -12.081 -9.736 1.00 0.77 C ATOM 1687 C GLU A 102 13.055 -11.846 -10.412 1.00 0.80 C ATOM 1688 O GLU A 102 12.708 -12.514 -11.387 1.00 0.96 O ATOM 1689 CB GLU A 102 14.192 -12.769 -8.380 1.00 0.87 C ATOM 1690 CG GLU A 102 15.481 -13.356 -7.796 1.00 1.67 C ATOM 1691 CD GLU A 102 15.219 -13.988 -6.421 1.00 1.75 C ATOM 1692 OE1 GLU A 102 14.678 -15.119 -6.362 1.00 2.57 O ATOM 1693 OE2 GLU A 102 15.559 -13.362 -5.389 1.00 2.45 O ATOM 0 H GLU A 102 15.069 -10.427 -8.616 1.00 0.67 H new ATOM 0 HA GLU A 102 15.028 -12.724 -10.368 1.00 0.77 H new ATOM 0 HB2 GLU A 102 13.774 -12.049 -7.676 1.00 0.87 H new ATOM 0 HB3 GLU A 102 13.456 -13.564 -8.498 1.00 0.87 H new ATOM 0 HG2 GLU A 102 15.884 -14.107 -8.475 1.00 1.67 H new ATOM 0 HG3 GLU A 102 16.233 -12.573 -7.704 1.00 1.67 H new ATOM 1700 N ALA A 103 12.288 -10.869 -9.916 1.00 0.66 N ATOM 1701 CA ALA A 103 10.931 -10.545 -10.361 1.00 0.64 C ATOM 1702 C ALA A 103 10.889 -9.732 -11.675 1.00 0.60 C ATOM 1703 O ALA A 103 10.087 -8.813 -11.831 1.00 0.58 O ATOM 1704 CB ALA A 103 10.192 -9.900 -9.177 1.00 0.57 C ATOM 0 H ALA A 103 12.610 -10.259 -9.164 1.00 0.66 H new ATOM 0 HA ALA A 103 10.404 -11.456 -10.643 1.00 0.64 H new ATOM 0 HB1 ALA A 103 9.175 -9.646 -9.477 1.00 0.57 H new ATOM 0 HB2 ALA A 103 10.160 -10.601 -8.343 1.00 0.57 H new ATOM 0 HB3 ALA A 103 10.716 -8.995 -8.870 1.00 0.57 H new ATOM 1710 N GLN A 104 11.728 -10.085 -12.650 1.00 0.67 N ATOM 1711 CA GLN A 104 11.697 -9.509 -13.997 1.00 0.69 C ATOM 1712 C GLN A 104 10.370 -9.740 -14.750 1.00 0.66 C ATOM 1713 O GLN A 104 9.919 -8.783 -15.386 1.00 0.64 O ATOM 1714 CB GLN A 104 12.891 -10.006 -14.829 1.00 0.85 C ATOM 1715 CG GLN A 104 14.220 -9.403 -14.340 1.00 0.91 C ATOM 1716 CD GLN A 104 15.430 -9.789 -15.200 1.00 1.18 C ATOM 1717 OE1 GLN A 104 15.352 -10.537 -16.170 1.00 0.86 O ATOM 1718 NE2 GLN A 104 16.605 -9.279 -14.892 1.00 2.17 N ATOM 0 H GLN A 104 12.457 -10.787 -12.526 1.00 0.67 H new ATOM 0 HA GLN A 104 11.775 -8.430 -13.860 1.00 0.69 H new ATOM 0 HB2 GLN A 104 12.944 -11.093 -14.775 1.00 0.85 H new ATOM 0 HB3 GLN A 104 12.737 -9.746 -15.876 1.00 0.85 H new ATOM 0 HG2 GLN A 104 14.130 -8.317 -14.323 1.00 0.91 H new ATOM 0 HG3 GLN A 104 14.398 -9.725 -13.314 1.00 0.91 H new ATOM 0 HE21 GLN A 104 16.696 -8.655 -14.091 1.00 2.17 H new ATOM 0 HE22 GLN A 104 17.424 -9.508 -15.455 1.00 2.17 H new ATOM 1727 N PRO A 105 9.696 -10.916 -14.692 1.00 0.69 N ATOM 1728 CA PRO A 105 8.422 -11.103 -15.386 1.00 0.68 C ATOM 1729 C PRO A 105 7.255 -10.401 -14.675 1.00 0.57 C ATOM 1730 O PRO A 105 6.203 -10.213 -15.285 1.00 0.51 O ATOM 1731 CB PRO A 105 8.239 -12.616 -15.505 1.00 0.79 C ATOM 1732 CG PRO A 105 8.971 -13.175 -14.289 1.00 0.81 C ATOM 1733 CD PRO A 105 10.073 -12.155 -14.010 1.00 0.74 C ATOM 0 HA PRO A 105 8.432 -10.638 -16.372 1.00 0.68 H new ATOM 0 HB2 PRO A 105 7.185 -12.892 -15.497 1.00 0.79 H new ATOM 0 HB3 PRO A 105 8.662 -12.997 -16.435 1.00 0.79 H new ATOM 0 HG2 PRO A 105 8.301 -13.281 -13.435 1.00 0.81 H new ATOM 0 HG3 PRO A 105 9.385 -14.162 -14.493 1.00 0.81 H new ATOM 0 HD2 PRO A 105 10.180 -11.987 -12.938 1.00 0.74 H new ATOM 0 HD3 PRO A 105 11.034 -12.518 -14.374 1.00 0.74 H new ATOM 1741 N LEU A 106 7.448 -9.963 -13.423 1.00 0.56 N ATOM 1742 CA LEU A 106 6.538 -9.069 -12.709 1.00 0.45 C ATOM 1743 C LEU A 106 6.765 -7.627 -13.170 1.00 0.40 C ATOM 1744 O LEU A 106 5.826 -6.968 -13.604 1.00 0.38 O ATOM 1745 CB LEU A 106 6.791 -9.254 -11.198 1.00 0.51 C ATOM 1746 CG LEU A 106 5.847 -8.514 -10.235 1.00 0.46 C ATOM 1747 CD1 LEU A 106 4.544 -9.293 -10.021 1.00 1.46 C ATOM 1748 CD2 LEU A 106 6.523 -8.346 -8.865 1.00 1.12 C ATOM 0 H LEU A 106 8.262 -10.229 -12.869 1.00 0.56 H new ATOM 0 HA LEU A 106 5.495 -9.304 -12.921 1.00 0.45 H new ATOM 0 HB2 LEU A 106 6.736 -10.319 -10.974 1.00 0.51 H new ATOM 0 HB3 LEU A 106 7.811 -8.935 -10.984 1.00 0.51 H new ATOM 0 HG LEU A 106 5.623 -7.545 -10.681 1.00 0.46 H new ATOM 0 HD11 LEU A 106 3.899 -8.743 -9.336 1.00 1.46 H new ATOM 0 HD12 LEU A 106 4.034 -9.419 -10.976 1.00 1.46 H new ATOM 0 HD13 LEU A 106 4.771 -10.272 -9.599 1.00 1.46 H new ATOM 0 HD21 LEU A 106 5.849 -7.821 -8.188 1.00 1.12 H new ATOM 0 HD22 LEU A 106 6.759 -9.327 -8.453 1.00 1.12 H new ATOM 0 HD23 LEU A 106 7.441 -7.770 -8.981 1.00 1.12 H new ATOM 1760 N TRP A 107 8.017 -7.161 -13.141 1.00 0.44 N ATOM 1761 CA TRP A 107 8.422 -5.812 -13.542 1.00 0.48 C ATOM 1762 C TRP A 107 8.081 -5.514 -15.002 1.00 0.52 C ATOM 1763 O TRP A 107 7.522 -4.459 -15.287 1.00 0.53 O ATOM 1764 CB TRP A 107 9.928 -5.661 -13.281 1.00 0.59 C ATOM 1765 CG TRP A 107 10.636 -4.479 -13.876 1.00 0.70 C ATOM 1766 CD1 TRP A 107 11.870 -4.526 -14.428 1.00 0.98 C ATOM 1767 CD2 TRP A 107 10.210 -3.080 -13.987 1.00 1.04 C ATOM 1768 NE1 TRP A 107 12.226 -3.278 -14.896 1.00 1.35 N ATOM 1769 CE2 TRP A 107 11.232 -2.351 -14.672 1.00 1.33 C ATOM 1770 CE3 TRP A 107 9.067 -2.348 -13.593 1.00 1.40 C ATOM 1771 CZ2 TRP A 107 11.114 -0.989 -14.980 1.00 1.74 C ATOM 1772 CZ3 TRP A 107 8.936 -0.982 -13.902 1.00 1.80 C ATOM 1773 CH2 TRP A 107 9.950 -0.303 -14.601 1.00 1.91 C ATOM 0 H TRP A 107 8.802 -7.732 -12.827 1.00 0.44 H new ATOM 0 HA TRP A 107 7.865 -5.085 -12.950 1.00 0.48 H new ATOM 0 HB2 TRP A 107 10.077 -5.630 -12.202 1.00 0.59 H new ATOM 0 HB3 TRP A 107 10.421 -6.562 -13.645 1.00 0.59 H new ATOM 0 HD1 TRP A 107 12.486 -5.411 -14.493 1.00 0.98 H new ATOM 0 HE1 TRP A 107 13.114 -3.068 -15.351 1.00 1.35 H new ATOM 0 HE3 TRP A 107 8.281 -2.846 -13.045 1.00 1.40 H new ATOM 0 HZ2 TRP A 107 11.908 -0.475 -15.502 1.00 1.74 H new ATOM 0 HZ3 TRP A 107 8.047 -0.449 -13.599 1.00 1.80 H new ATOM 0 HH2 TRP A 107 9.833 0.743 -14.845 1.00 1.91 H new ATOM 1784 N GLU A 108 8.361 -6.439 -15.922 1.00 0.58 N ATOM 1785 CA GLU A 108 8.138 -6.218 -17.353 1.00 0.68 C ATOM 1786 C GLU A 108 6.639 -6.126 -17.672 1.00 0.65 C ATOM 1787 O GLU A 108 6.202 -5.246 -18.418 1.00 0.66 O ATOM 1788 CB GLU A 108 8.818 -7.348 -18.151 1.00 0.79 C ATOM 1789 CG GLU A 108 8.785 -7.180 -19.679 1.00 0.94 C ATOM 1790 CD GLU A 108 9.784 -6.146 -20.228 1.00 2.28 C ATOM 1791 OE1 GLU A 108 9.929 -5.040 -19.658 1.00 3.36 O ATOM 1792 OE2 GLU A 108 10.417 -6.421 -21.276 1.00 3.26 O ATOM 0 H GLU A 108 8.746 -7.357 -15.699 1.00 0.58 H new ATOM 0 HA GLU A 108 8.581 -5.265 -17.644 1.00 0.68 H new ATOM 0 HB2 GLU A 108 9.858 -7.422 -17.832 1.00 0.79 H new ATOM 0 HB3 GLU A 108 8.338 -8.292 -17.895 1.00 0.79 H new ATOM 0 HG2 GLU A 108 8.989 -8.145 -20.143 1.00 0.94 H new ATOM 0 HG3 GLU A 108 7.778 -6.889 -19.978 1.00 0.94 H new ATOM 1799 N ALA A 109 5.830 -7.007 -17.077 1.00 0.62 N ATOM 1800 CA ALA A 109 4.377 -6.961 -17.206 1.00 0.63 C ATOM 1801 C ALA A 109 3.760 -5.719 -16.542 1.00 0.51 C ATOM 1802 O ALA A 109 2.895 -5.062 -17.124 1.00 0.53 O ATOM 1803 CB ALA A 109 3.843 -8.277 -16.671 1.00 0.68 C ATOM 0 H ALA A 109 6.168 -7.772 -16.492 1.00 0.62 H new ATOM 0 HA ALA A 109 4.087 -6.852 -18.251 1.00 0.63 H new ATOM 0 HB1 ALA A 109 2.756 -8.287 -16.748 1.00 0.68 H new ATOM 0 HB2 ALA A 109 4.256 -9.101 -17.253 1.00 0.68 H new ATOM 0 HB3 ALA A 109 4.134 -8.390 -15.627 1.00 0.68 H new ATOM 1809 N ALA A 110 4.217 -5.355 -15.346 1.00 0.41 N ATOM 1810 CA ALA A 110 3.773 -4.163 -14.629 1.00 0.36 C ATOM 1811 C ALA A 110 4.104 -2.868 -15.393 1.00 0.46 C ATOM 1812 O ALA A 110 3.226 -2.026 -15.582 1.00 0.52 O ATOM 1813 CB ALA A 110 4.426 -4.214 -13.248 1.00 0.33 C ATOM 0 H ALA A 110 4.920 -5.892 -14.838 1.00 0.41 H new ATOM 0 HA ALA A 110 2.687 -4.153 -14.533 1.00 0.36 H new ATOM 0 HB1 ALA A 110 4.124 -3.340 -12.670 1.00 0.33 H new ATOM 0 HB2 ALA A 110 4.110 -5.119 -12.729 1.00 0.33 H new ATOM 0 HB3 ALA A 110 5.510 -4.219 -13.358 1.00 0.33 H new ATOM 1819 N ARG A 111 5.330 -2.762 -15.920 1.00 0.53 N ATOM 1820 CA ARG A 111 5.791 -1.695 -16.821 1.00 0.62 C ATOM 1821 C ARG A 111 4.837 -1.546 -18.011 1.00 0.73 C ATOM 1822 O ARG A 111 4.417 -0.431 -18.322 1.00 0.87 O ATOM 1823 CB ARG A 111 7.218 -2.048 -17.292 1.00 0.65 C ATOM 1824 CG ARG A 111 7.797 -1.168 -18.418 1.00 1.06 C ATOM 1825 CD ARG A 111 8.851 -1.945 -19.219 1.00 1.35 C ATOM 1826 NE ARG A 111 9.222 -1.229 -20.452 1.00 2.51 N ATOM 1827 CZ ARG A 111 9.855 -1.749 -21.497 1.00 3.12 C ATOM 1828 NH1 ARG A 111 10.297 -2.989 -21.510 1.00 3.06 N ATOM 1829 NH2 ARG A 111 10.050 -1.014 -22.572 1.00 4.35 N ATOM 0 H ARG A 111 6.060 -3.446 -15.723 1.00 0.53 H new ATOM 0 HA ARG A 111 5.804 -0.739 -16.298 1.00 0.62 H new ATOM 0 HB2 ARG A 111 7.887 -1.991 -16.433 1.00 0.65 H new ATOM 0 HB3 ARG A 111 7.221 -3.084 -17.630 1.00 0.65 H new ATOM 0 HG2 ARG A 111 6.996 -0.841 -19.081 1.00 1.06 H new ATOM 0 HG3 ARG A 111 8.244 -0.270 -17.992 1.00 1.06 H new ATOM 0 HD2 ARG A 111 9.738 -2.098 -18.604 1.00 1.35 H new ATOM 0 HD3 ARG A 111 8.464 -2.932 -19.472 1.00 1.35 H new ATOM 0 HE ARG A 111 8.969 -0.242 -20.508 1.00 2.51 H new ATOM 0 HH11 ARG A 111 10.158 -3.589 -20.697 1.00 3.06 H new ATOM 0 HH12 ARG A 111 10.779 -3.350 -22.333 1.00 3.06 H new ATOM 0 HH21 ARG A 111 9.715 -0.051 -22.599 1.00 4.35 H new ATOM 0 HH22 ARG A 111 10.536 -1.408 -23.378 1.00 4.35 H new ATOM 1843 N ALA A 112 4.462 -2.660 -18.649 1.00 0.71 N ATOM 1844 CA ALA A 112 3.555 -2.668 -19.802 1.00 0.81 C ATOM 1845 C ALA A 112 2.148 -2.152 -19.445 1.00 0.79 C ATOM 1846 O ALA A 112 1.547 -1.396 -20.208 1.00 0.85 O ATOM 1847 CB ALA A 112 3.510 -4.095 -20.364 1.00 0.85 C ATOM 0 H ALA A 112 4.782 -3.589 -18.377 1.00 0.71 H new ATOM 0 HA ALA A 112 3.932 -1.982 -20.560 1.00 0.81 H new ATOM 0 HB1 ALA A 112 2.841 -4.126 -21.224 1.00 0.85 H new ATOM 0 HB2 ALA A 112 4.511 -4.396 -20.672 1.00 0.85 H new ATOM 0 HB3 ALA A 112 3.146 -4.777 -19.596 1.00 0.85 H new ATOM 1853 N HIS A 113 1.638 -2.524 -18.270 1.00 0.72 N ATOM 1854 CA HIS A 113 0.376 -2.021 -17.714 1.00 0.77 C ATOM 1855 C HIS A 113 0.430 -0.564 -17.182 1.00 0.81 C ATOM 1856 O HIS A 113 -0.623 0.020 -16.910 1.00 0.90 O ATOM 1857 CB HIS A 113 -0.136 -3.033 -16.679 1.00 0.69 C ATOM 1858 CG HIS A 113 -0.592 -4.318 -17.330 1.00 0.71 C ATOM 1859 ND1 HIS A 113 0.147 -5.468 -17.469 1.00 0.72 N ATOM 1860 CD2 HIS A 113 -1.804 -4.550 -17.924 1.00 0.77 C ATOM 1861 CE1 HIS A 113 -0.595 -6.371 -18.130 1.00 0.77 C ATOM 1862 NE2 HIS A 113 -1.798 -5.855 -18.435 1.00 0.80 N ATOM 0 H HIS A 113 2.101 -3.200 -17.662 1.00 0.72 H new ATOM 0 HA HIS A 113 -0.342 -1.940 -18.530 1.00 0.77 H new ATOM 0 HB2 HIS A 113 0.655 -3.250 -15.961 1.00 0.69 H new ATOM 0 HB3 HIS A 113 -0.963 -2.595 -16.120 1.00 0.69 H new ATOM 0 HD1 HIS A 113 1.098 -5.611 -17.128 1.00 0.72 H new ATOM 0 HD2 HIS A 113 -2.623 -3.849 -17.988 1.00 0.77 H new ATOM 0 HE1 HIS A 113 -0.271 -7.370 -18.381 1.00 0.77 H new ATOM 1870 N GLY A 114 1.625 0.034 -17.048 1.00 0.77 N ATOM 1871 CA GLY A 114 1.848 1.450 -16.693 1.00 0.84 C ATOM 1872 C GLY A 114 2.456 1.696 -15.307 1.00 0.80 C ATOM 1873 O GLY A 114 2.689 2.850 -14.940 1.00 0.88 O ATOM 0 H GLY A 114 2.498 -0.474 -17.189 1.00 0.77 H new ATOM 0 HA2 GLY A 114 2.503 1.895 -17.442 1.00 0.84 H new ATOM 0 HA3 GLY A 114 0.895 1.975 -16.751 1.00 0.84 H new ATOM 1877 N LEU A 115 2.744 0.636 -14.546 1.00 0.71 N ATOM 1878 CA LEU A 115 3.254 0.680 -13.177 1.00 0.68 C ATOM 1879 C LEU A 115 4.788 0.858 -13.188 1.00 0.74 C ATOM 1880 O LEU A 115 5.539 -0.104 -13.013 1.00 0.99 O ATOM 1881 CB LEU A 115 2.823 -0.604 -12.431 1.00 0.61 C ATOM 1882 CG LEU A 115 1.317 -0.857 -12.179 1.00 0.62 C ATOM 1883 CD1 LEU A 115 0.493 -1.184 -13.436 1.00 0.86 C ATOM 1884 CD2 LEU A 115 1.192 -2.046 -11.215 1.00 1.04 C ATOM 0 H LEU A 115 2.622 -0.318 -14.885 1.00 0.71 H new ATOM 0 HA LEU A 115 2.834 1.535 -12.648 1.00 0.68 H new ATOM 0 HB2 LEU A 115 3.210 -1.455 -12.991 1.00 0.61 H new ATOM 0 HB3 LEU A 115 3.323 -0.605 -11.463 1.00 0.61 H new ATOM 0 HG LEU A 115 0.914 0.074 -11.780 1.00 0.62 H new ATOM 0 HD11 LEU A 115 -0.548 -1.345 -13.157 1.00 0.86 H new ATOM 0 HD12 LEU A 115 0.556 -0.353 -14.139 1.00 0.86 H new ATOM 0 HD13 LEU A 115 0.886 -2.086 -13.904 1.00 0.86 H new ATOM 0 HD21 LEU A 115 0.139 -2.247 -11.020 1.00 1.04 H new ATOM 0 HD22 LEU A 115 1.652 -2.927 -11.662 1.00 1.04 H new ATOM 0 HD23 LEU A 115 1.696 -1.809 -10.278 1.00 1.04 H new ATOM 1896 N ARG A 116 5.262 2.080 -13.466 1.00 0.88 N ATOM 1897 CA ARG A 116 6.658 2.350 -13.861 1.00 0.86 C ATOM 1898 C ARG A 116 7.651 2.465 -12.691 1.00 0.84 C ATOM 1899 O ARG A 116 8.804 2.073 -12.854 1.00 0.87 O ATOM 1900 CB ARG A 116 6.717 3.587 -14.768 1.00 0.89 C ATOM 1901 CG ARG A 116 5.930 3.327 -16.067 1.00 0.98 C ATOM 1902 CD ARG A 116 6.714 3.728 -17.315 1.00 1.64 C ATOM 1903 NE ARG A 116 6.747 5.186 -17.493 1.00 2.81 N ATOM 1904 CZ ARG A 116 7.430 5.865 -18.404 1.00 3.86 C ATOM 1905 NH1 ARG A 116 8.230 5.274 -19.268 1.00 4.36 N ATOM 1906 NH2 ARG A 116 7.311 7.173 -18.448 1.00 4.88 N ATOM 0 H ARG A 116 4.684 2.920 -13.424 1.00 0.88 H new ATOM 0 HA ARG A 116 6.989 1.470 -14.412 1.00 0.86 H new ATOM 0 HB2 ARG A 116 6.301 4.450 -14.248 1.00 0.89 H new ATOM 0 HB3 ARG A 116 7.754 3.826 -15.003 1.00 0.89 H new ATOM 0 HG2 ARG A 116 5.673 2.269 -16.127 1.00 0.98 H new ATOM 0 HG3 ARG A 116 4.992 3.881 -16.037 1.00 0.98 H new ATOM 0 HD2 ARG A 116 7.733 3.347 -17.242 1.00 1.64 H new ATOM 0 HD3 ARG A 116 6.263 3.265 -18.192 1.00 1.64 H new ATOM 0 HE ARG A 116 6.183 5.736 -16.845 1.00 2.81 H new ATOM 0 HH11 ARG A 116 8.340 4.260 -19.250 1.00 4.36 H new ATOM 0 HH12 ARG A 116 8.739 5.830 -19.955 1.00 4.36 H new ATOM 0 HH21 ARG A 116 6.700 7.652 -17.787 1.00 4.88 H new ATOM 0 HH22 ARG A 116 7.830 7.709 -19.143 1.00 4.88 H new ATOM 1920 N ARG A 117 7.226 2.953 -11.520 1.00 0.85 N ATOM 1921 CA ARG A 117 7.914 2.857 -10.210 1.00 0.80 C ATOM 1922 C ARG A 117 6.847 2.830 -9.103 1.00 0.81 C ATOM 1923 O ARG A 117 5.658 2.979 -9.386 1.00 0.89 O ATOM 1924 CB ARG A 117 8.917 4.014 -9.957 1.00 0.93 C ATOM 1925 CG ARG A 117 10.060 4.191 -10.967 1.00 0.77 C ATOM 1926 CD ARG A 117 11.054 3.026 -11.093 1.00 0.84 C ATOM 1927 NE ARG A 117 12.194 3.121 -10.157 1.00 1.24 N ATOM 1928 CZ ARG A 117 13.366 3.692 -10.424 1.00 1.78 C ATOM 1929 NH1 ARG A 117 13.559 4.430 -11.496 1.00 2.72 N ATOM 1930 NH2 ARG A 117 14.383 3.525 -9.608 1.00 2.08 N ATOM 0 H ARG A 117 6.342 3.456 -11.448 1.00 0.85 H new ATOM 0 HA ARG A 117 8.505 1.941 -10.209 1.00 0.80 H new ATOM 0 HB2 ARG A 117 8.353 4.946 -9.919 1.00 0.93 H new ATOM 0 HB3 ARG A 117 9.358 3.868 -8.971 1.00 0.93 H new ATOM 0 HG2 ARG A 117 9.622 4.373 -11.948 1.00 0.77 H new ATOM 0 HG3 ARG A 117 10.618 5.087 -10.696 1.00 0.77 H new ATOM 0 HD2 ARG A 117 10.527 2.088 -10.917 1.00 0.84 H new ATOM 0 HD3 ARG A 117 11.434 2.992 -12.114 1.00 0.84 H new ATOM 0 HE ARG A 117 12.072 2.715 -9.229 1.00 1.24 H new ATOM 0 HH11 ARG A 117 12.796 4.580 -12.156 1.00 2.72 H new ATOM 0 HH12 ARG A 117 14.472 4.852 -11.667 1.00 2.72 H new ATOM 0 HH21 ARG A 117 14.275 2.957 -8.768 1.00 2.08 H new ATOM 0 HH22 ARG A 117 15.280 3.964 -9.815 1.00 2.08 H new ATOM 1944 N GLY A 118 7.250 2.645 -7.845 1.00 0.80 N ATOM 1945 CA GLY A 118 6.326 2.644 -6.706 1.00 0.80 C ATOM 1946 C GLY A 118 6.985 2.767 -5.337 1.00 0.80 C ATOM 1947 O GLY A 118 8.207 2.687 -5.206 1.00 0.87 O ATOM 0 H GLY A 118 8.224 2.492 -7.585 1.00 0.80 H new ATOM 0 HA2 GLY A 118 5.623 3.468 -6.828 1.00 0.80 H new ATOM 0 HA3 GLY A 118 5.745 1.722 -6.731 1.00 0.80 H new ATOM 1951 N VAL A 119 6.138 2.963 -4.328 1.00 0.79 N ATOM 1952 CA VAL A 119 6.499 3.111 -2.908 1.00 0.82 C ATOM 1953 C VAL A 119 5.573 2.232 -2.065 1.00 0.72 C ATOM 1954 O VAL A 119 4.359 2.248 -2.267 1.00 0.81 O ATOM 1955 CB VAL A 119 6.439 4.584 -2.429 1.00 1.04 C ATOM 1956 CG1 VAL A 119 7.543 5.419 -3.095 1.00 1.41 C ATOM 1957 CG2 VAL A 119 5.090 5.288 -2.670 1.00 1.06 C ATOM 0 H VAL A 119 5.131 3.027 -4.480 1.00 0.79 H new ATOM 0 HA VAL A 119 7.534 2.791 -2.787 1.00 0.82 H new ATOM 0 HB VAL A 119 6.581 4.524 -1.350 1.00 1.04 H new ATOM 0 HG11 VAL A 119 7.482 6.449 -2.744 1.00 1.41 H new ATOM 0 HG12 VAL A 119 8.518 5.005 -2.837 1.00 1.41 H new ATOM 0 HG13 VAL A 119 7.414 5.396 -4.177 1.00 1.41 H new ATOM 0 HG21 VAL A 119 5.144 6.313 -2.303 1.00 1.06 H new ATOM 0 HG22 VAL A 119 4.869 5.296 -3.737 1.00 1.06 H new ATOM 0 HG23 VAL A 119 4.301 4.754 -2.141 1.00 1.06 H new ATOM 1967 N THR A 120 6.145 1.447 -1.142 1.00 0.66 N ATOM 1968 CA THR A 120 5.502 0.241 -0.596 1.00 0.58 C ATOM 1969 C THR A 120 5.754 0.127 0.909 1.00 0.89 C ATOM 1970 O THR A 120 6.872 0.342 1.372 1.00 1.17 O ATOM 1971 CB THR A 120 6.083 -0.947 -1.370 1.00 0.47 C ATOM 1972 OG1 THR A 120 5.808 -0.811 -2.741 1.00 0.53 O ATOM 1973 CG2 THR A 120 5.555 -2.301 -0.955 1.00 0.82 C ATOM 0 H THR A 120 7.069 1.630 -0.751 1.00 0.66 H new ATOM 0 HA THR A 120 4.419 0.275 -0.715 1.00 0.58 H new ATOM 0 HB THR A 120 7.149 -0.920 -1.144 1.00 0.47 H new ATOM 0 HG1 THR A 120 4.851 -0.640 -2.867 1.00 0.53 H new ATOM 0 HG21 THR A 120 6.026 -3.076 -1.560 1.00 0.82 H new ATOM 0 HG22 THR A 120 5.783 -2.473 0.097 1.00 0.82 H new ATOM 0 HG23 THR A 120 4.475 -2.331 -1.102 1.00 0.82 H new ATOM 1981 N GLN A 121 4.727 -0.197 1.698 1.00 0.84 N ATOM 1982 CA GLN A 121 4.783 -0.098 3.162 1.00 0.86 C ATOM 1983 C GLN A 121 3.991 -1.219 3.850 1.00 0.80 C ATOM 1984 O GLN A 121 2.893 -1.580 3.431 1.00 0.64 O ATOM 1985 CB GLN A 121 4.276 1.297 3.589 1.00 0.83 C ATOM 1986 CG GLN A 121 5.080 1.963 4.722 1.00 1.77 C ATOM 1987 CD GLN A 121 4.912 1.340 6.111 1.00 2.88 C ATOM 1988 OE1 GLN A 121 3.898 0.751 6.445 1.00 3.83 O ATOM 1989 NE2 GLN A 121 5.872 1.484 6.999 1.00 3.64 N ATOM 0 H GLN A 121 3.833 -0.535 1.342 1.00 0.84 H new ATOM 0 HA GLN A 121 5.818 -0.222 3.481 1.00 0.86 H new ATOM 0 HB2 GLN A 121 4.290 1.954 2.719 1.00 0.83 H new ATOM 0 HB3 GLN A 121 3.237 1.208 3.905 1.00 0.83 H new ATOM 0 HG2 GLN A 121 6.137 1.935 4.457 1.00 1.77 H new ATOM 0 HG3 GLN A 121 4.793 3.013 4.778 1.00 1.77 H new ATOM 0 HE21 GLN A 121 6.731 1.972 6.747 1.00 3.64 H new ATOM 0 HE22 GLN A 121 5.757 1.107 7.940 1.00 3.64 H new ATOM 1998 N TYR A 122 4.561 -1.729 4.941 1.00 1.09 N ATOM 1999 CA TYR A 122 4.083 -2.816 5.796 1.00 1.11 C ATOM 2000 C TYR A 122 4.074 -2.333 7.259 1.00 1.19 C ATOM 2001 O TYR A 122 5.065 -1.769 7.739 1.00 1.58 O ATOM 2002 CB TYR A 122 5.072 -3.982 5.597 1.00 1.22 C ATOM 2003 CG TYR A 122 5.166 -5.053 6.668 1.00 1.47 C ATOM 2004 CD1 TYR A 122 5.929 -4.807 7.827 1.00 1.62 C ATOM 2005 CD2 TYR A 122 4.601 -6.327 6.471 1.00 2.74 C ATOM 2006 CE1 TYR A 122 6.097 -5.798 8.807 1.00 1.72 C ATOM 2007 CE2 TYR A 122 4.764 -7.327 7.447 1.00 3.04 C ATOM 2008 CZ TYR A 122 5.505 -7.068 8.623 1.00 2.06 C ATOM 2009 OH TYR A 122 5.646 -8.041 9.566 1.00 2.38 O ATOM 0 H TYR A 122 5.449 -1.359 5.280 1.00 1.09 H new ATOM 0 HA TYR A 122 3.070 -3.132 5.547 1.00 1.11 H new ATOM 0 HB2 TYR A 122 4.816 -4.475 4.659 1.00 1.22 H new ATOM 0 HB3 TYR A 122 6.066 -3.553 5.471 1.00 1.22 H new ATOM 0 HD1 TYR A 122 6.392 -3.841 7.963 1.00 1.62 H new ATOM 0 HD2 TYR A 122 4.042 -6.537 5.571 1.00 2.74 H new ATOM 0 HE1 TYR A 122 6.675 -5.591 9.696 1.00 1.72 H new ATOM 0 HE2 TYR A 122 4.320 -8.300 7.297 1.00 3.04 H new ATOM 0 HH TYR A 122 5.173 -8.849 9.276 1.00 2.38 H new ATOM 2019 N LEU A 123 2.980 -2.579 7.993 1.00 0.92 N ATOM 2020 CA LEU A 123 2.857 -2.156 9.393 1.00 0.88 C ATOM 2021 C LEU A 123 2.005 -3.148 10.204 1.00 0.92 C ATOM 2022 O LEU A 123 0.907 -3.530 9.799 1.00 1.06 O ATOM 2023 CB LEU A 123 2.330 -0.705 9.437 1.00 0.83 C ATOM 2024 CG LEU A 123 2.707 0.058 10.724 1.00 0.95 C ATOM 2025 CD1 LEU A 123 4.186 0.485 10.692 1.00 1.85 C ATOM 2026 CD2 LEU A 123 1.836 1.311 10.890 1.00 1.74 C ATOM 0 H LEU A 123 2.162 -3.073 7.636 1.00 0.92 H new ATOM 0 HA LEU A 123 3.835 -2.164 9.873 1.00 0.88 H new ATOM 0 HB2 LEU A 123 2.720 -0.161 8.576 1.00 0.83 H new ATOM 0 HB3 LEU A 123 1.244 -0.720 9.340 1.00 0.83 H new ATOM 0 HG LEU A 123 2.540 -0.616 11.564 1.00 0.95 H new ATOM 0 HD11 LEU A 123 4.430 1.021 11.609 1.00 1.85 H new ATOM 0 HD12 LEU A 123 4.818 -0.399 10.610 1.00 1.85 H new ATOM 0 HD13 LEU A 123 4.358 1.136 9.835 1.00 1.85 H new ATOM 0 HD21 LEU A 123 2.120 1.833 11.804 1.00 1.74 H new ATOM 0 HD22 LEU A 123 1.982 1.971 10.035 1.00 1.74 H new ATOM 0 HD23 LEU A 123 0.787 1.020 10.949 1.00 1.74 H new ATOM 2038 N MET A 124 2.554 -3.588 11.340 1.00 1.10 N ATOM 2039 CA MET A 124 2.107 -4.754 12.116 1.00 1.27 C ATOM 2040 C MET A 124 1.701 -4.337 13.541 1.00 1.26 C ATOM 2041 O MET A 124 2.405 -3.542 14.170 1.00 1.34 O ATOM 2042 CB MET A 124 3.269 -5.767 12.124 1.00 1.59 C ATOM 2043 CG MET A 124 2.800 -7.212 12.296 1.00 2.02 C ATOM 2044 SD MET A 124 2.311 -7.725 13.954 1.00 1.64 S ATOM 2045 CE MET A 124 1.254 -9.095 13.428 1.00 1.91 C ATOM 0 H MET A 124 3.357 -3.123 11.764 1.00 1.10 H new ATOM 0 HA MET A 124 1.223 -5.207 11.667 1.00 1.27 H new ATOM 0 HB2 MET A 124 3.826 -5.680 11.191 1.00 1.59 H new ATOM 0 HB3 MET A 124 3.957 -5.516 12.931 1.00 1.59 H new ATOM 0 HG2 MET A 124 1.954 -7.375 11.628 1.00 2.02 H new ATOM 0 HG3 MET A 124 3.602 -7.870 11.961 1.00 2.02 H new ATOM 0 HE1 MET A 124 0.868 -9.614 14.305 1.00 1.91 H new ATOM 0 HE2 MET A 124 0.422 -8.708 12.840 1.00 1.91 H new ATOM 0 HE3 MET A 124 1.834 -9.790 12.821 1.00 1.91 H new ATOM 2055 N LEU A 125 0.577 -4.854 14.053 1.00 1.25 N ATOM 2056 CA LEU A 125 0.024 -4.527 15.377 1.00 1.28 C ATOM 2057 C LEU A 125 0.087 -5.743 16.328 1.00 1.33 C ATOM 2058 O LEU A 125 -0.242 -6.856 15.902 1.00 1.40 O ATOM 2059 CB LEU A 125 -1.439 -4.055 15.234 1.00 1.45 C ATOM 2060 CG LEU A 125 -1.654 -2.835 14.316 1.00 1.01 C ATOM 2061 CD1 LEU A 125 -3.152 -2.516 14.218 1.00 2.01 C ATOM 2062 CD2 LEU A 125 -0.895 -1.590 14.804 1.00 2.10 C ATOM 0 H LEU A 125 0.009 -5.531 13.544 1.00 1.25 H new ATOM 0 HA LEU A 125 0.628 -3.727 15.805 1.00 1.28 H new ATOM 0 HB2 LEU A 125 -2.035 -4.884 14.853 1.00 1.45 H new ATOM 0 HB3 LEU A 125 -1.824 -3.815 16.225 1.00 1.45 H new ATOM 0 HG LEU A 125 -1.258 -3.097 13.335 1.00 1.01 H new ATOM 0 HD11 LEU A 125 -3.299 -1.653 13.568 1.00 2.01 H new ATOM 0 HD12 LEU A 125 -3.681 -3.375 13.805 1.00 2.01 H new ATOM 0 HD13 LEU A 125 -3.542 -2.293 15.211 1.00 2.01 H new ATOM 0 HD21 LEU A 125 -1.081 -0.760 14.122 1.00 2.10 H new ATOM 0 HD22 LEU A 125 -1.239 -1.323 15.803 1.00 2.10 H new ATOM 0 HD23 LEU A 125 0.173 -1.803 14.833 1.00 2.10 H new ATOM 2074 N PRO A 126 0.427 -5.545 17.622 1.00 1.41 N ATOM 2075 CA PRO A 126 0.600 -6.632 18.589 1.00 1.57 C ATOM 2076 C PRO A 126 -0.709 -7.364 18.932 1.00 1.67 C ATOM 2077 O PRO A 126 -0.656 -8.512 19.371 1.00 1.87 O ATOM 2078 CB PRO A 126 1.228 -5.980 19.827 1.00 1.72 C ATOM 2079 CG PRO A 126 0.736 -4.536 19.760 1.00 1.65 C ATOM 2080 CD PRO A 126 0.712 -4.263 18.258 1.00 1.47 C ATOM 0 HA PRO A 126 1.233 -7.414 18.170 1.00 1.57 H new ATOM 0 HB2 PRO A 126 0.906 -6.471 20.746 1.00 1.72 H new ATOM 0 HB3 PRO A 126 2.316 -6.035 19.801 1.00 1.72 H new ATOM 0 HG2 PRO A 126 -0.251 -4.423 20.209 1.00 1.65 H new ATOM 0 HG3 PRO A 126 1.405 -3.855 20.285 1.00 1.65 H new ATOM 0 HD2 PRO A 126 -0.050 -3.525 18.007 1.00 1.47 H new ATOM 0 HD3 PRO A 126 1.667 -3.863 17.919 1.00 1.47 H new ATOM 2088 N GLU A 127 -1.877 -6.754 18.685 1.00 1.67 N ATOM 2089 CA GLU A 127 -3.190 -7.410 18.762 1.00 1.92 C ATOM 2090 C GLU A 127 -3.499 -8.219 17.480 1.00 1.98 C ATOM 2091 O GLU A 127 -4.578 -8.106 16.896 1.00 2.76 O ATOM 2092 CB GLU A 127 -4.290 -6.389 19.111 1.00 2.20 C ATOM 2093 CG GLU A 127 -4.091 -5.785 20.507 1.00 2.61 C ATOM 2094 CD GLU A 127 -5.313 -4.958 20.932 1.00 3.00 C ATOM 2095 OE1 GLU A 127 -6.283 -5.541 21.473 1.00 4.23 O ATOM 2096 OE2 GLU A 127 -5.310 -3.719 20.740 1.00 3.05 O ATOM 0 H GLU A 127 -1.936 -5.771 18.421 1.00 1.67 H new ATOM 0 HA GLU A 127 -3.165 -8.137 19.574 1.00 1.92 H new ATOM 0 HB2 GLU A 127 -4.293 -5.591 18.368 1.00 2.20 H new ATOM 0 HB3 GLU A 127 -5.265 -6.875 19.062 1.00 2.20 H new ATOM 0 HG2 GLU A 127 -3.918 -6.582 21.230 1.00 2.61 H new ATOM 0 HG3 GLU A 127 -3.202 -5.154 20.510 1.00 2.61 H new ATOM 2103 N ARG A 128 -2.531 -9.046 17.050 1.00 2.26 N ATOM 2104 CA ARG A 128 -2.608 -10.032 15.956 1.00 2.50 C ATOM 2105 C ARG A 128 -3.286 -9.517 14.670 1.00 1.76 C ATOM 2106 O ARG A 128 -4.143 -10.186 14.086 1.00 2.64 O ATOM 2107 CB ARG A 128 -3.134 -11.401 16.456 1.00 3.77 C ATOM 2108 CG ARG A 128 -4.578 -11.421 16.993 1.00 3.83 C ATOM 2109 CD ARG A 128 -4.657 -11.184 18.507 1.00 4.36 C ATOM 2110 NE ARG A 128 -5.960 -10.612 18.885 1.00 5.03 N ATOM 2111 CZ ARG A 128 -6.362 -10.308 20.113 1.00 5.80 C ATOM 2112 NH1 ARG A 128 -5.618 -10.551 21.173 1.00 6.03 N ATOM 2113 NH2 ARG A 128 -7.538 -9.746 20.291 1.00 6.94 N ATOM 0 H ARG A 128 -1.610 -9.044 17.487 1.00 2.26 H new ATOM 0 HA ARG A 128 -1.581 -10.200 15.630 1.00 2.50 H new ATOM 0 HB2 ARG A 128 -3.064 -12.115 15.636 1.00 3.77 H new ATOM 0 HB3 ARG A 128 -2.470 -11.755 17.245 1.00 3.77 H new ATOM 0 HG2 ARG A 128 -5.161 -10.656 16.480 1.00 3.83 H new ATOM 0 HG3 ARG A 128 -5.035 -12.382 16.757 1.00 3.83 H new ATOM 0 HD2 ARG A 128 -4.502 -12.125 19.034 1.00 4.36 H new ATOM 0 HD3 ARG A 128 -3.857 -10.511 18.815 1.00 4.36 H new ATOM 0 HE ARG A 128 -6.619 -10.431 18.128 1.00 5.03 H new ATOM 0 HH11 ARG A 128 -4.702 -10.986 21.064 1.00 6.03 H new ATOM 0 HH12 ARG A 128 -5.958 -10.304 22.102 1.00 6.03 H new ATOM 0 HH21 ARG A 128 -8.135 -9.547 19.488 1.00 6.94 H new ATOM 0 HH22 ARG A 128 -7.853 -9.510 21.232 1.00 6.94 H new ATOM 2127 N ALA A 129 -2.881 -8.332 14.204 1.00 1.46 N ATOM 2128 CA ALA A 129 -3.360 -7.717 12.964 1.00 1.10 C ATOM 2129 C ALA A 129 -2.197 -7.148 12.141 1.00 0.93 C ATOM 2130 O ALA A 129 -1.226 -6.628 12.692 1.00 1.26 O ATOM 2131 CB ALA A 129 -4.390 -6.635 13.309 1.00 1.95 C ATOM 0 H ALA A 129 -2.193 -7.759 14.692 1.00 1.46 H new ATOM 0 HA ALA A 129 -3.838 -8.476 12.345 1.00 1.10 H new ATOM 0 HB1 ALA A 129 -4.752 -6.172 12.391 1.00 1.95 H new ATOM 0 HB2 ALA A 129 -5.227 -7.086 13.842 1.00 1.95 H new ATOM 0 HB3 ALA A 129 -3.924 -5.877 13.939 1.00 1.95 H new ATOM 2137 N LEU A 130 -2.299 -7.242 10.814 1.00 0.75 N ATOM 2138 CA LEU A 130 -1.248 -6.847 9.881 1.00 0.75 C ATOM 2139 C LEU A 130 -1.870 -6.263 8.610 1.00 0.65 C ATOM 2140 O LEU A 130 -2.864 -6.769 8.093 1.00 0.66 O ATOM 2141 CB LEU A 130 -0.365 -8.087 9.619 1.00 1.13 C ATOM 2142 CG LEU A 130 0.686 -7.941 8.504 1.00 1.17 C ATOM 2143 CD1 LEU A 130 1.701 -6.832 8.787 1.00 1.64 C ATOM 2144 CD2 LEU A 130 1.443 -9.265 8.348 1.00 2.08 C ATOM 0 H LEU A 130 -3.133 -7.603 10.351 1.00 0.75 H new ATOM 0 HA LEU A 130 -0.617 -6.059 10.292 1.00 0.75 H new ATOM 0 HB2 LEU A 130 0.149 -8.345 10.545 1.00 1.13 H new ATOM 0 HB3 LEU A 130 -1.015 -8.926 9.371 1.00 1.13 H new ATOM 0 HG LEU A 130 0.150 -7.677 7.592 1.00 1.17 H new ATOM 0 HD11 LEU A 130 2.417 -6.776 7.967 1.00 1.64 H new ATOM 0 HD12 LEU A 130 1.181 -5.878 8.881 1.00 1.64 H new ATOM 0 HD13 LEU A 130 2.229 -7.050 9.715 1.00 1.64 H new ATOM 0 HD21 LEU A 130 2.189 -9.167 7.559 1.00 2.08 H new ATOM 0 HD22 LEU A 130 1.938 -9.514 9.287 1.00 2.08 H new ATOM 0 HD23 LEU A 130 0.741 -10.057 8.087 1.00 2.08 H new ATOM 2156 N GLY A 131 -1.273 -5.192 8.091 1.00 0.72 N ATOM 2157 CA GLY A 131 -1.734 -4.536 6.871 1.00 0.73 C ATOM 2158 C GLY A 131 -0.632 -3.784 6.147 1.00 0.72 C ATOM 2159 O GLY A 131 0.515 -3.698 6.595 1.00 0.71 O ATOM 0 H GLY A 131 -0.452 -4.753 8.508 1.00 0.72 H new ATOM 0 HA2 GLY A 131 -2.156 -5.284 6.200 1.00 0.73 H new ATOM 0 HA3 GLY A 131 -2.537 -3.842 7.120 1.00 0.73 H new ATOM 2163 N PHE A 132 -1.004 -3.299 4.969 1.00 0.95 N ATOM 2164 CA PHE A 132 -0.072 -2.931 3.921 1.00 0.77 C ATOM 2165 C PHE A 132 -0.718 -1.965 2.926 1.00 0.76 C ATOM 2166 O PHE A 132 -1.906 -2.096 2.617 1.00 0.94 O ATOM 2167 CB PHE A 132 0.359 -4.242 3.242 1.00 1.10 C ATOM 2168 CG PHE A 132 0.980 -4.096 1.871 1.00 2.06 C ATOM 2169 CD1 PHE A 132 0.167 -3.936 0.730 1.00 4.13 C ATOM 2170 CD2 PHE A 132 2.375 -4.112 1.734 1.00 2.92 C ATOM 2171 CE1 PHE A 132 0.741 -3.773 -0.539 1.00 6.05 C ATOM 2172 CE2 PHE A 132 2.946 -3.953 0.466 1.00 4.96 C ATOM 2173 CZ PHE A 132 2.136 -3.781 -0.670 1.00 6.32 C ATOM 0 H PHE A 132 -1.980 -3.149 4.715 1.00 0.95 H new ATOM 0 HA PHE A 132 0.793 -2.408 4.328 1.00 0.77 H new ATOM 0 HB2 PHE A 132 1.072 -4.749 3.892 1.00 1.10 H new ATOM 0 HB3 PHE A 132 -0.513 -4.891 3.159 1.00 1.10 H new ATOM 0 HD1 PHE A 132 -0.908 -3.939 0.834 1.00 4.13 H new ATOM 0 HD2 PHE A 132 3.005 -4.246 2.601 1.00 2.92 H new ATOM 0 HE1 PHE A 132 0.113 -3.642 -1.408 1.00 6.05 H new ATOM 0 HE2 PHE A 132 4.021 -3.963 0.359 1.00 4.96 H new ATOM 0 HZ PHE A 132 2.588 -3.655 -1.643 1.00 6.32 H new ATOM 2183 N LEU A 133 0.090 -1.079 2.336 1.00 0.58 N ATOM 2184 CA LEU A 133 -0.280 -0.383 1.104 1.00 0.47 C ATOM 2185 C LEU A 133 0.913 -0.198 0.169 1.00 0.49 C ATOM 2186 O LEU A 133 2.071 -0.162 0.588 1.00 0.57 O ATOM 2187 CB LEU A 133 -1.063 0.919 1.402 1.00 0.48 C ATOM 2188 CG LEU A 133 -0.279 2.113 1.998 1.00 0.58 C ATOM 2189 CD1 LEU A 133 0.496 2.927 0.945 1.00 1.53 C ATOM 2190 CD2 LEU A 133 -1.272 3.069 2.679 1.00 1.39 C ATOM 0 H LEU A 133 1.010 -0.827 2.696 1.00 0.58 H new ATOM 0 HA LEU A 133 -0.971 -1.019 0.551 1.00 0.47 H new ATOM 0 HB2 LEU A 133 -1.525 1.252 0.473 1.00 0.48 H new ATOM 0 HB3 LEU A 133 -1.872 0.673 2.090 1.00 0.48 H new ATOM 0 HG LEU A 133 0.444 1.691 2.695 1.00 0.58 H new ATOM 0 HD11 LEU A 133 1.022 3.747 1.434 1.00 1.53 H new ATOM 0 HD12 LEU A 133 1.217 2.281 0.444 1.00 1.53 H new ATOM 0 HD13 LEU A 133 -0.202 3.329 0.211 1.00 1.53 H new ATOM 0 HD21 LEU A 133 -0.730 3.915 3.103 1.00 1.39 H new ATOM 0 HD22 LEU A 133 -1.991 3.430 1.944 1.00 1.39 H new ATOM 0 HD23 LEU A 133 -1.799 2.541 3.473 1.00 1.39 H new ATOM 2202 N SER A 134 0.613 -0.020 -1.110 1.00 0.49 N ATOM 2203 CA SER A 134 1.568 0.452 -2.108 1.00 0.53 C ATOM 2204 C SER A 134 0.901 1.465 -3.038 1.00 0.60 C ATOM 2205 O SER A 134 -0.214 1.239 -3.516 1.00 0.59 O ATOM 2206 CB SER A 134 2.134 -0.723 -2.917 1.00 0.50 C ATOM 2207 OG SER A 134 3.226 -0.305 -3.718 1.00 1.74 O ATOM 0 H SER A 134 -0.315 -0.202 -1.491 1.00 0.49 H new ATOM 0 HA SER A 134 2.394 0.940 -1.591 1.00 0.53 H new ATOM 0 HB2 SER A 134 2.456 -1.514 -2.240 1.00 0.50 H new ATOM 0 HB3 SER A 134 1.353 -1.144 -3.550 1.00 0.50 H new ATOM 0 HG SER A 134 2.964 -0.321 -4.662 1.00 1.74 H new ATOM 2213 N PHE A 135 1.594 2.571 -3.326 1.00 0.73 N ATOM 2214 CA PHE A 135 1.283 3.412 -4.478 1.00 0.80 C ATOM 2215 C PHE A 135 2.242 3.049 -5.615 1.00 0.79 C ATOM 2216 O PHE A 135 3.458 2.952 -5.425 1.00 0.78 O ATOM 2217 CB PHE A 135 1.403 4.905 -4.122 1.00 0.92 C ATOM 2218 CG PHE A 135 0.337 5.537 -3.234 1.00 0.65 C ATOM 2219 CD1 PHE A 135 -0.729 4.801 -2.670 1.00 1.64 C ATOM 2220 CD2 PHE A 135 0.417 6.923 -2.990 1.00 1.86 C ATOM 2221 CE1 PHE A 135 -1.691 5.444 -1.869 1.00 1.79 C ATOM 2222 CE2 PHE A 135 -0.548 7.566 -2.195 1.00 2.02 C ATOM 2223 CZ PHE A 135 -1.602 6.827 -1.631 1.00 1.26 C ATOM 0 H PHE A 135 2.381 2.904 -2.769 1.00 0.73 H new ATOM 0 HA PHE A 135 0.253 3.236 -4.790 1.00 0.80 H new ATOM 0 HB2 PHE A 135 2.367 5.052 -3.635 1.00 0.92 H new ATOM 0 HB3 PHE A 135 1.429 5.466 -5.056 1.00 0.92 H new ATOM 0 HD1 PHE A 135 -0.806 3.740 -2.854 1.00 1.64 H new ATOM 0 HD2 PHE A 135 1.227 7.496 -3.417 1.00 1.86 H new ATOM 0 HE1 PHE A 135 -2.500 4.874 -1.436 1.00 1.79 H new ATOM 0 HE2 PHE A 135 -0.479 8.629 -2.018 1.00 2.02 H new ATOM 0 HZ PHE A 135 -2.341 7.320 -1.017 1.00 1.26 H new ATOM 2233 N SER A 136 1.684 2.908 -6.810 1.00 0.80 N ATOM 2234 CA SER A 136 2.404 2.884 -8.082 1.00 0.79 C ATOM 2235 C SER A 136 2.480 4.311 -8.660 1.00 0.91 C ATOM 2236 O SER A 136 1.758 5.207 -8.216 1.00 1.16 O ATOM 2237 CB SER A 136 1.645 1.947 -9.029 1.00 0.83 C ATOM 2238 OG SER A 136 2.275 1.857 -10.287 1.00 1.63 O ATOM 0 H SER A 136 0.676 2.803 -6.927 1.00 0.80 H new ATOM 0 HA SER A 136 3.424 2.524 -7.949 1.00 0.79 H new ATOM 0 HB2 SER A 136 1.578 0.955 -8.583 1.00 0.83 H new ATOM 0 HB3 SER A 136 0.625 2.308 -9.158 1.00 0.83 H new ATOM 0 HG SER A 136 1.723 2.305 -10.962 1.00 1.63 H new ATOM 2244 N ARG A 137 3.329 4.532 -9.667 1.00 0.82 N ATOM 2245 CA ARG A 137 3.426 5.781 -10.424 1.00 0.91 C ATOM 2246 C ARG A 137 3.855 5.533 -11.877 1.00 0.83 C ATOM 2247 O ARG A 137 4.713 4.689 -12.150 1.00 0.73 O ATOM 2248 CB ARG A 137 4.327 6.810 -9.710 1.00 1.04 C ATOM 2249 CG ARG A 137 5.727 6.289 -9.338 1.00 2.23 C ATOM 2250 CD ARG A 137 6.711 7.400 -8.948 1.00 2.60 C ATOM 2251 NE ARG A 137 6.315 8.113 -7.715 1.00 3.32 N ATOM 2252 CZ ARG A 137 7.135 8.673 -6.830 1.00 4.37 C ATOM 2253 NH1 ARG A 137 8.446 8.585 -6.926 1.00 5.00 N ATOM 2254 NH2 ARG A 137 6.645 9.355 -5.818 1.00 5.46 N ATOM 0 H ARG A 137 3.989 3.823 -9.988 1.00 0.82 H new ATOM 0 HA ARG A 137 2.428 6.217 -10.466 1.00 0.91 H new ATOM 0 HB2 ARG A 137 4.438 7.683 -10.353 1.00 1.04 H new ATOM 0 HB3 ARG A 137 3.825 7.144 -8.802 1.00 1.04 H new ATOM 0 HG2 ARG A 137 5.636 5.588 -8.509 1.00 2.23 H new ATOM 0 HG3 ARG A 137 6.135 5.733 -10.182 1.00 2.23 H new ATOM 0 HD2 ARG A 137 7.702 6.968 -8.809 1.00 2.60 H new ATOM 0 HD3 ARG A 137 6.787 8.115 -9.767 1.00 2.60 H new ATOM 0 HE ARG A 137 5.315 8.182 -7.524 1.00 3.32 H new ATOM 0 HH11 ARG A 137 8.867 8.073 -7.701 1.00 5.00 H new ATOM 0 HH12 ARG A 137 9.040 9.029 -6.226 1.00 5.00 H new ATOM 0 HH21 ARG A 137 5.636 9.455 -5.711 1.00 5.46 H new ATOM 0 HH22 ARG A 137 7.274 9.784 -5.140 1.00 5.46 H new ATOM 2268 N CYS A 138 3.270 6.289 -12.810 1.00 0.91 N ATOM 2269 CA CYS A 138 3.617 6.301 -14.237 1.00 0.92 C ATOM 2270 C CYS A 138 4.915 7.077 -14.511 1.00 0.91 C ATOM 2271 O CYS A 138 5.574 6.858 -15.528 1.00 0.94 O ATOM 2272 CB CYS A 138 2.425 6.862 -15.038 1.00 1.06 C ATOM 2273 SG CYS A 138 2.166 8.637 -14.725 1.00 2.72 S ATOM 0 H CYS A 138 2.513 6.935 -12.585 1.00 0.91 H new ATOM 0 HA CYS A 138 3.813 5.279 -14.562 1.00 0.92 H new ATOM 0 HB2 CYS A 138 2.597 6.703 -16.103 1.00 1.06 H new ATOM 0 HB3 CYS A 138 1.521 6.312 -14.776 1.00 1.06 H new ATOM 0 HG CYS A 138 1.678 8.800 -13.531 1.00 2.72 H new ATOM 2279 N SER A 139 5.317 7.944 -13.586 1.00 0.91 N ATOM 2280 CA SER A 139 6.640 8.560 -13.529 1.00 0.97 C ATOM 2281 C SER A 139 7.705 7.480 -13.267 1.00 0.91 C ATOM 2282 O SER A 139 7.694 6.811 -12.233 1.00 0.91 O ATOM 2283 CB SER A 139 6.688 9.658 -12.438 1.00 1.08 C ATOM 2284 OG SER A 139 5.485 9.774 -11.678 1.00 1.81 O ATOM 0 H SER A 139 4.708 8.249 -12.827 1.00 0.91 H new ATOM 0 HA SER A 139 6.850 9.035 -14.487 1.00 0.97 H new ATOM 0 HB2 SER A 139 7.515 9.446 -11.760 1.00 1.08 H new ATOM 0 HB3 SER A 139 6.901 10.617 -12.911 1.00 1.08 H new ATOM 0 HG SER A 139 5.588 10.483 -11.009 1.00 1.81 H new ATOM 2290 N ALA A 140 8.666 7.328 -14.184 1.00 0.96 N ATOM 2291 CA ALA A 140 9.747 6.338 -14.093 1.00 0.97 C ATOM 2292 C ALA A 140 10.886 6.758 -13.134 1.00 1.04 C ATOM 2293 O ALA A 140 11.927 6.105 -13.087 1.00 1.14 O ATOM 2294 CB ALA A 140 10.256 6.078 -15.518 1.00 1.08 C ATOM 0 H ALA A 140 8.716 7.900 -15.027 1.00 0.96 H new ATOM 0 HA ALA A 140 9.355 5.420 -13.655 1.00 0.97 H new ATOM 0 HB1 ALA A 140 11.062 5.345 -15.488 1.00 1.08 H new ATOM 0 HB2 ALA A 140 9.440 5.696 -16.132 1.00 1.08 H new ATOM 0 HB3 ALA A 140 10.627 7.009 -15.947 1.00 1.08 H new ATOM 2300 N ARG A 141 10.698 7.859 -12.396 1.00 1.07 N ATOM 2301 CA ARG A 141 11.720 8.588 -11.644 1.00 1.16 C ATOM 2302 C ARG A 141 12.245 7.814 -10.426 1.00 1.14 C ATOM 2303 O ARG A 141 11.474 7.237 -9.657 1.00 1.29 O ATOM 2304 CB ARG A 141 11.158 9.958 -11.205 1.00 1.28 C ATOM 2305 CG ARG A 141 11.439 11.091 -12.206 1.00 1.40 C ATOM 2306 CD ARG A 141 10.564 11.084 -13.472 1.00 1.68 C ATOM 2307 NE ARG A 141 9.548 12.157 -13.439 1.00 2.75 N ATOM 2308 CZ ARG A 141 9.744 13.441 -13.727 1.00 3.72 C ATOM 2309 NH1 ARG A 141 10.921 13.907 -14.094 1.00 4.55 N ATOM 2310 NH2 ARG A 141 8.743 14.291 -13.643 1.00 4.63 N ATOM 0 H ARG A 141 9.777 8.287 -12.304 1.00 1.07 H new ATOM 0 HA ARG A 141 12.572 8.724 -12.310 1.00 1.16 H new ATOM 0 HB2 ARG A 141 10.081 9.870 -11.062 1.00 1.28 H new ATOM 0 HB3 ARG A 141 11.587 10.224 -10.239 1.00 1.28 H new ATOM 0 HG2 ARG A 141 11.304 12.045 -11.697 1.00 1.40 H new ATOM 0 HG3 ARG A 141 12.485 11.036 -12.507 1.00 1.40 H new ATOM 0 HD2 ARG A 141 11.196 11.207 -14.352 1.00 1.68 H new ATOM 0 HD3 ARG A 141 10.070 10.117 -13.568 1.00 1.68 H new ATOM 0 HE ARG A 141 8.603 11.886 -13.169 1.00 2.75 H new ATOM 0 HH11 ARG A 141 11.720 13.276 -14.165 1.00 4.55 H new ATOM 0 HH12 ARG A 141 11.033 14.898 -14.307 1.00 4.55 H new ATOM 0 HH21 ARG A 141 7.820 13.965 -13.358 1.00 4.63 H new ATOM 0 HH22 ARG A 141 8.890 15.276 -13.863 1.00 4.63 H new ATOM 2324 N GLU A 142 13.562 7.870 -10.235 1.00 1.07 N ATOM 2325 CA GLU A 142 14.290 7.331 -9.079 1.00 1.09 C ATOM 2326 C GLU A 142 13.822 7.979 -7.767 1.00 1.04 C ATOM 2327 O GLU A 142 13.349 9.120 -7.750 1.00 1.00 O ATOM 2328 CB GLU A 142 15.807 7.557 -9.234 1.00 1.17 C ATOM 2329 CG GLU A 142 16.487 6.718 -10.327 1.00 1.40 C ATOM 2330 CD GLU A 142 15.957 6.981 -11.743 1.00 3.14 C ATOM 2331 OE1 GLU A 142 15.751 8.160 -12.117 1.00 4.06 O ATOM 2332 OE2 GLU A 142 15.698 5.987 -12.459 1.00 4.66 O ATOM 0 H GLU A 142 14.183 8.313 -10.912 1.00 1.07 H new ATOM 0 HA GLU A 142 14.080 6.262 -9.040 1.00 1.09 H new ATOM 0 HB2 GLU A 142 15.981 8.612 -9.448 1.00 1.17 H new ATOM 0 HB3 GLU A 142 16.289 7.341 -8.281 1.00 1.17 H new ATOM 0 HG2 GLU A 142 17.558 6.918 -10.309 1.00 1.40 H new ATOM 0 HG3 GLU A 142 16.356 5.662 -10.093 1.00 1.40 H new ATOM 2339 N ILE A 143 13.961 7.252 -6.654 1.00 1.12 N ATOM 2340 CA ILE A 143 13.395 7.641 -5.353 1.00 1.06 C ATOM 2341 C ILE A 143 14.505 7.719 -4.276 1.00 1.29 C ATOM 2342 O ILE A 143 15.139 6.691 -4.010 1.00 1.53 O ATOM 2343 CB ILE A 143 12.275 6.651 -4.939 1.00 1.07 C ATOM 2344 CG1 ILE A 143 11.346 6.227 -6.104 1.00 0.70 C ATOM 2345 CG2 ILE A 143 11.476 7.323 -3.814 1.00 1.68 C ATOM 2346 CD1 ILE A 143 10.155 5.370 -5.659 1.00 1.50 C ATOM 0 H ILE A 143 14.473 6.370 -6.628 1.00 1.12 H new ATOM 0 HA ILE A 143 12.953 8.633 -5.444 1.00 1.06 H new ATOM 0 HB ILE A 143 12.737 5.721 -4.608 1.00 1.07 H new ATOM 0 HG12 ILE A 143 10.973 7.121 -6.604 1.00 0.70 H new ATOM 0 HG13 ILE A 143 11.929 5.671 -6.838 1.00 0.70 H new ATOM 0 HG21 ILE A 143 10.674 6.659 -3.491 1.00 1.68 H new ATOM 0 HG22 ILE A 143 12.137 7.531 -2.972 1.00 1.68 H new ATOM 0 HG23 ILE A 143 11.049 8.257 -4.179 1.00 1.68 H new ATOM 0 HD11 ILE A 143 9.549 5.111 -6.527 1.00 1.50 H new ATOM 0 HD12 ILE A 143 10.519 4.458 -5.186 1.00 1.50 H new ATOM 0 HD13 ILE A 143 9.549 5.931 -4.948 1.00 1.50 H new ATOM 2358 N PRO A 144 14.756 8.893 -3.650 1.00 1.31 N ATOM 2359 CA PRO A 144 15.760 9.046 -2.594 1.00 1.45 C ATOM 2360 C PRO A 144 15.212 8.680 -1.205 1.00 1.46 C ATOM 2361 O PRO A 144 15.808 7.873 -0.495 1.00 2.13 O ATOM 2362 CB PRO A 144 16.198 10.513 -2.677 1.00 1.63 C ATOM 2363 CG PRO A 144 14.968 11.248 -3.210 1.00 1.48 C ATOM 2364 CD PRO A 144 14.263 10.202 -4.076 1.00 1.29 C ATOM 0 HA PRO A 144 16.599 8.365 -2.737 1.00 1.45 H new ATOM 0 HB2 PRO A 144 16.496 10.894 -1.700 1.00 1.63 H new ATOM 0 HB3 PRO A 144 17.053 10.635 -3.342 1.00 1.63 H new ATOM 0 HG2 PRO A 144 14.327 11.594 -2.399 1.00 1.48 H new ATOM 0 HG3 PRO A 144 15.248 12.126 -3.792 1.00 1.48 H new ATOM 0 HD2 PRO A 144 13.182 10.265 -3.954 1.00 1.29 H new ATOM 0 HD3 PRO A 144 14.475 10.369 -5.132 1.00 1.29 H new ATOM 2372 N ILE A 145 14.070 9.263 -0.819 1.00 1.34 N ATOM 2373 CA ILE A 145 13.421 9.134 0.505 1.00 1.34 C ATOM 2374 C ILE A 145 11.907 9.371 0.352 1.00 1.37 C ATOM 2375 O ILE A 145 11.261 10.025 1.163 1.00 1.97 O ATOM 2376 CB ILE A 145 14.166 10.042 1.528 1.00 1.28 C ATOM 2377 CG1 ILE A 145 13.986 9.688 3.028 1.00 1.30 C ATOM 2378 CG2 ILE A 145 14.008 11.548 1.245 1.00 1.37 C ATOM 2379 CD1 ILE A 145 12.671 10.036 3.747 1.00 1.49 C ATOM 0 H ILE A 145 13.542 9.869 -1.448 1.00 1.34 H new ATOM 0 HA ILE A 145 13.502 8.128 0.917 1.00 1.34 H new ATOM 0 HB ILE A 145 15.210 9.793 1.339 1.00 1.28 H new ATOM 0 HG12 ILE A 145 14.136 8.613 3.128 1.00 1.30 H new ATOM 0 HG13 ILE A 145 14.794 10.174 3.575 1.00 1.30 H new ATOM 0 HG21 ILE A 145 14.553 12.119 1.997 1.00 1.37 H new ATOM 0 HG22 ILE A 145 14.407 11.776 0.257 1.00 1.37 H new ATOM 0 HG23 ILE A 145 12.952 11.816 1.281 1.00 1.37 H new ATOM 0 HD11 ILE A 145 12.729 9.714 4.787 1.00 1.49 H new ATOM 0 HD12 ILE A 145 12.510 11.113 3.709 1.00 1.49 H new ATOM 0 HD13 ILE A 145 11.842 9.528 3.255 1.00 1.49 H new ATOM 2391 N LEU A 146 11.361 8.937 -0.794 1.00 1.21 N ATOM 2392 CA LEU A 146 9.985 9.129 -1.307 1.00 1.15 C ATOM 2393 C LEU A 146 9.695 10.582 -1.737 1.00 0.97 C ATOM 2394 O LEU A 146 9.000 10.799 -2.726 1.00 1.06 O ATOM 2395 CB LEU A 146 8.920 8.627 -0.308 1.00 1.45 C ATOM 2396 CG LEU A 146 8.987 7.121 0.027 1.00 1.21 C ATOM 2397 CD1 LEU A 146 9.989 6.777 1.142 1.00 2.70 C ATOM 2398 CD2 LEU A 146 7.601 6.643 0.467 1.00 2.04 C ATOM 0 H LEU A 146 11.919 8.391 -1.450 1.00 1.21 H new ATOM 0 HA LEU A 146 9.920 8.516 -2.206 1.00 1.15 H new ATOM 0 HB2 LEU A 146 9.019 9.193 0.618 1.00 1.45 H new ATOM 0 HB3 LEU A 146 7.933 8.849 -0.713 1.00 1.45 H new ATOM 0 HG LEU A 146 9.326 6.620 -0.880 1.00 1.21 H new ATOM 0 HD11 LEU A 146 9.979 5.702 1.321 1.00 2.70 H new ATOM 0 HD12 LEU A 146 10.990 7.086 0.840 1.00 2.70 H new ATOM 0 HD13 LEU A 146 9.709 7.299 2.057 1.00 2.70 H new ATOM 0 HD21 LEU A 146 7.641 5.580 0.705 1.00 2.04 H new ATOM 0 HD22 LEU A 146 7.287 7.201 1.349 1.00 2.04 H new ATOM 0 HD23 LEU A 146 6.886 6.807 -0.340 1.00 2.04 H new ATOM 2410 N SER A 147 10.252 11.516 -0.969 1.00 0.89 N ATOM 2411 CA SER A 147 10.009 12.956 -0.789 1.00 0.91 C ATOM 2412 C SER A 147 9.499 13.108 0.651 1.00 0.89 C ATOM 2413 O SER A 147 8.623 12.356 1.074 1.00 0.87 O ATOM 2414 CB SER A 147 9.030 13.611 -1.778 1.00 0.99 C ATOM 2415 OG SER A 147 9.650 13.835 -3.039 1.00 1.27 O ATOM 0 H SER A 147 11.014 11.233 -0.353 1.00 0.89 H new ATOM 0 HA SER A 147 10.942 13.483 -0.989 1.00 0.91 H new ATOM 0 HB2 SER A 147 8.156 12.972 -1.907 1.00 0.99 H new ATOM 0 HB3 SER A 147 8.675 14.558 -1.370 1.00 0.99 H new ATOM 0 HG SER A 147 9.007 14.250 -3.651 1.00 1.27 H new ATOM 2421 N ASP A 148 10.035 14.049 1.432 1.00 0.93 N ATOM 2422 CA ASP A 148 9.777 14.135 2.880 1.00 0.97 C ATOM 2423 C ASP A 148 8.286 14.288 3.232 1.00 0.93 C ATOM 2424 O ASP A 148 7.823 13.718 4.220 1.00 0.94 O ATOM 2425 CB ASP A 148 10.609 15.278 3.486 1.00 1.10 C ATOM 2426 CG ASP A 148 10.344 16.643 2.827 1.00 2.23 C ATOM 2427 OD1 ASP A 148 10.971 16.929 1.778 1.00 3.10 O ATOM 2428 OD2 ASP A 148 9.518 17.422 3.358 1.00 3.58 O ATOM 0 H ASP A 148 10.661 14.775 1.083 1.00 0.93 H new ATOM 0 HA ASP A 148 10.083 13.184 3.317 1.00 0.97 H new ATOM 0 HB2 ASP A 148 10.393 15.349 4.552 1.00 1.10 H new ATOM 0 HB3 ASP A 148 11.668 15.037 3.391 1.00 1.10 H new ATOM 2433 N GLU A 149 7.519 14.985 2.390 1.00 0.91 N ATOM 2434 CA GLU A 149 6.072 15.130 2.549 1.00 0.92 C ATOM 2435 C GLU A 149 5.350 13.811 2.218 1.00 0.86 C ATOM 2436 O GLU A 149 4.429 13.421 2.934 1.00 0.94 O ATOM 2437 CB GLU A 149 5.573 16.271 1.646 1.00 0.96 C ATOM 2438 CG GLU A 149 4.172 16.753 2.048 1.00 2.12 C ATOM 2439 CD GLU A 149 3.405 17.312 0.843 1.00 2.36 C ATOM 2440 OE1 GLU A 149 2.911 16.503 0.022 1.00 2.68 O ATOM 2441 OE2 GLU A 149 3.237 18.547 0.735 1.00 3.71 O ATOM 0 H GLU A 149 7.889 15.468 1.572 1.00 0.91 H new ATOM 0 HA GLU A 149 5.849 15.374 3.588 1.00 0.92 H new ATOM 0 HB2 GLU A 149 6.272 17.106 1.697 1.00 0.96 H new ATOM 0 HB3 GLU A 149 5.556 15.932 0.610 1.00 0.96 H new ATOM 0 HG2 GLU A 149 3.613 15.926 2.485 1.00 2.12 H new ATOM 0 HG3 GLU A 149 4.257 17.522 2.816 1.00 2.12 H new ATOM 2448 N LEU A 150 5.791 13.090 1.177 1.00 0.78 N ATOM 2449 CA LEU A 150 5.231 11.793 0.786 1.00 0.68 C ATOM 2450 C LEU A 150 5.551 10.730 1.845 1.00 0.72 C ATOM 2451 O LEU A 150 4.673 9.950 2.185 1.00 0.69 O ATOM 2452 CB LEU A 150 5.763 11.382 -0.605 1.00 0.69 C ATOM 2453 CG LEU A 150 4.828 10.491 -1.463 1.00 0.74 C ATOM 2454 CD1 LEU A 150 5.621 9.927 -2.648 1.00 1.80 C ATOM 2455 CD2 LEU A 150 4.157 9.309 -0.747 1.00 2.31 C ATOM 0 H LEU A 150 6.556 13.397 0.577 1.00 0.78 H new ATOM 0 HA LEU A 150 4.146 11.879 0.720 1.00 0.68 H new ATOM 0 HB2 LEU A 150 5.983 12.289 -1.169 1.00 0.69 H new ATOM 0 HB3 LEU A 150 6.707 10.855 -0.468 1.00 0.69 H new ATOM 0 HG LEU A 150 4.017 11.158 -1.756 1.00 0.74 H new ATOM 0 HD11 LEU A 150 4.970 9.299 -3.256 1.00 1.80 H new ATOM 0 HD12 LEU A 150 6.003 10.748 -3.254 1.00 1.80 H new ATOM 0 HD13 LEU A 150 6.455 9.332 -2.277 1.00 1.80 H new ATOM 0 HD21 LEU A 150 3.530 8.765 -1.453 1.00 2.31 H new ATOM 0 HD22 LEU A 150 4.922 8.641 -0.352 1.00 2.31 H new ATOM 0 HD23 LEU A 150 3.542 9.681 0.072 1.00 2.31 H new ATOM 2467 N GLN A 151 6.770 10.681 2.392 1.00 0.79 N ATOM 2468 CA GLN A 151 7.124 9.687 3.417 1.00 0.87 C ATOM 2469 C GLN A 151 6.286 9.857 4.690 1.00 0.88 C ATOM 2470 O GLN A 151 5.876 8.872 5.305 1.00 0.90 O ATOM 2471 CB GLN A 151 8.650 9.640 3.664 1.00 1.00 C ATOM 2472 CG GLN A 151 9.239 10.471 4.822 1.00 1.19 C ATOM 2473 CD GLN A 151 9.429 9.690 6.133 1.00 1.63 C ATOM 2474 OE1 GLN A 151 8.397 9.151 6.749 1.00 2.58 O flip ATOM 2475 NE2 GLN A 151 10.535 9.534 6.633 1.00 2.68 N flip ATOM 0 H GLN A 151 7.529 11.316 2.144 1.00 0.79 H new ATOM 0 HA GLN A 151 6.864 8.700 3.035 1.00 0.87 H new ATOM 0 HB2 GLN A 151 8.926 8.599 3.831 1.00 1.00 H new ATOM 0 HB3 GLN A 151 9.143 9.957 2.745 1.00 1.00 H new ATOM 0 HG2 GLN A 151 10.203 10.874 4.510 1.00 1.19 H new ATOM 0 HG3 GLN A 151 8.585 11.322 5.012 1.00 1.19 H new ATOM 0 HE21 GLN A 151 11.358 9.936 6.185 1.00 2.68 H new ATOM 0 HE22 GLN A 151 10.633 9.002 7.497 1.00 2.68 H new ATOM 2484 N LEU A 152 6.036 11.101 5.108 1.00 0.90 N ATOM 2485 CA LEU A 152 5.241 11.414 6.292 1.00 0.94 C ATOM 2486 C LEU A 152 3.756 11.148 6.026 1.00 0.87 C ATOM 2487 O LEU A 152 3.090 10.525 6.854 1.00 0.90 O ATOM 2488 CB LEU A 152 5.530 12.863 6.722 1.00 0.98 C ATOM 2489 CG LEU A 152 6.950 13.075 7.303 1.00 1.07 C ATOM 2490 CD1 LEU A 152 7.198 14.579 7.494 1.00 1.08 C ATOM 2491 CD2 LEU A 152 7.133 12.362 8.653 1.00 1.25 C ATOM 0 H LEU A 152 6.386 11.928 4.625 1.00 0.90 H new ATOM 0 HA LEU A 152 5.520 10.763 7.121 1.00 0.94 H new ATOM 0 HB2 LEU A 152 5.398 13.520 5.862 1.00 0.98 H new ATOM 0 HB3 LEU A 152 4.794 13.164 7.468 1.00 0.98 H new ATOM 0 HG LEU A 152 7.665 12.650 6.598 1.00 1.07 H new ATOM 0 HD11 LEU A 152 8.196 14.734 7.903 1.00 1.08 H new ATOM 0 HD12 LEU A 152 7.117 15.086 6.533 1.00 1.08 H new ATOM 0 HD13 LEU A 152 6.457 14.985 8.182 1.00 1.08 H new ATOM 0 HD21 LEU A 152 8.143 12.538 9.023 1.00 1.25 H new ATOM 0 HD22 LEU A 152 6.411 12.751 9.371 1.00 1.25 H new ATOM 0 HD23 LEU A 152 6.975 11.291 8.523 1.00 1.25 H new ATOM 2503 N LYS A 153 3.251 11.524 4.847 1.00 0.78 N ATOM 2504 CA LYS A 153 1.906 11.146 4.404 1.00 0.71 C ATOM 2505 C LYS A 153 1.752 9.626 4.311 1.00 0.61 C ATOM 2506 O LYS A 153 0.777 9.107 4.829 1.00 0.60 O ATOM 2507 CB LYS A 153 1.549 11.834 3.075 1.00 0.73 C ATOM 2508 CG LYS A 153 1.156 13.304 3.286 1.00 1.49 C ATOM 2509 CD LYS A 153 0.959 14.013 1.940 1.00 1.64 C ATOM 2510 CE LYS A 153 0.452 15.442 2.163 1.00 2.31 C ATOM 2511 NZ LYS A 153 0.284 16.164 0.877 1.00 2.83 N ATOM 0 H LYS A 153 3.761 12.097 4.175 1.00 0.78 H new ATOM 0 HA LYS A 153 1.199 11.494 5.157 1.00 0.71 H new ATOM 0 HB2 LYS A 153 2.400 11.778 2.396 1.00 0.73 H new ATOM 0 HB3 LYS A 153 0.726 11.302 2.599 1.00 0.73 H new ATOM 0 HG2 LYS A 153 0.237 13.359 3.869 1.00 1.49 H new ATOM 0 HG3 LYS A 153 1.930 13.813 3.861 1.00 1.49 H new ATOM 0 HD2 LYS A 153 1.901 14.035 1.391 1.00 1.64 H new ATOM 0 HD3 LYS A 153 0.247 13.458 1.329 1.00 1.64 H new ATOM 0 HE2 LYS A 153 -0.500 15.413 2.693 1.00 2.31 H new ATOM 0 HE3 LYS A 153 1.154 15.984 2.797 1.00 2.31 H new ATOM 0 HZ1 LYS A 153 -0.011 17.143 1.065 1.00 2.83 H new ATOM 0 HZ2 LYS A 153 1.187 16.167 0.360 1.00 2.83 H new ATOM 0 HZ3 LYS A 153 -0.441 15.688 0.304 1.00 2.83 H new ATOM 2525 N MET A 154 2.711 8.877 3.765 1.00 0.58 N ATOM 2526 CA MET A 154 2.680 7.408 3.732 1.00 0.57 C ATOM 2527 C MET A 154 2.541 6.824 5.140 1.00 0.68 C ATOM 2528 O MET A 154 1.665 5.988 5.356 1.00 0.70 O ATOM 2529 CB MET A 154 3.924 6.865 3.001 1.00 0.67 C ATOM 2530 CG MET A 154 4.142 5.368 3.262 1.00 2.50 C ATOM 2531 SD MET A 154 5.463 4.599 2.302 1.00 3.11 S ATOM 2532 CE MET A 154 4.483 4.058 0.885 1.00 1.15 C ATOM 0 H MET A 154 3.542 9.275 3.327 1.00 0.58 H new ATOM 0 HA MET A 154 1.800 7.091 3.173 1.00 0.57 H new ATOM 0 HB2 MET A 154 3.816 7.033 1.930 1.00 0.67 H new ATOM 0 HB3 MET A 154 4.804 7.420 3.324 1.00 0.67 H new ATOM 0 HG2 MET A 154 4.358 5.229 4.321 1.00 2.50 H new ATOM 0 HG3 MET A 154 3.211 4.841 3.054 1.00 2.50 H new ATOM 0 HE1 MET A 154 4.766 3.041 0.614 1.00 1.15 H new ATOM 0 HE2 MET A 154 3.424 4.083 1.144 1.00 1.15 H new ATOM 0 HE3 MET A 154 4.666 4.723 0.041 1.00 1.15 H new ATOM 2542 N GLN A 155 3.381 7.249 6.087 1.00 0.77 N ATOM 2543 CA GLN A 155 3.339 6.721 7.457 1.00 0.86 C ATOM 2544 C GLN A 155 2.033 7.063 8.190 1.00 0.85 C ATOM 2545 O GLN A 155 1.529 6.232 8.944 1.00 0.88 O ATOM 2546 CB GLN A 155 4.574 7.163 8.259 1.00 0.99 C ATOM 2547 CG GLN A 155 5.843 6.404 7.823 1.00 1.25 C ATOM 2548 CD GLN A 155 7.049 6.642 8.741 1.00 1.81 C ATOM 2549 OE1 GLN A 155 6.943 7.040 9.894 1.00 1.78 O ATOM 2550 NE2 GLN A 155 8.256 6.404 8.269 1.00 3.18 N ATOM 0 H GLN A 155 4.099 7.957 5.932 1.00 0.77 H new ATOM 0 HA GLN A 155 3.362 5.634 7.374 1.00 0.86 H new ATOM 0 HB2 GLN A 155 4.728 8.234 8.128 1.00 0.99 H new ATOM 0 HB3 GLN A 155 4.397 6.994 9.321 1.00 0.99 H new ATOM 0 HG2 GLN A 155 5.625 5.336 7.793 1.00 1.25 H new ATOM 0 HG3 GLN A 155 6.105 6.704 6.808 1.00 1.25 H new ATOM 0 HE21 GLN A 155 8.373 6.072 7.312 1.00 3.18 H new ATOM 0 HE22 GLN A 155 9.073 6.552 8.861 1.00 3.18 H new ATOM 2559 N LEU A 156 1.444 8.237 7.928 1.00 0.82 N ATOM 2560 CA LEU A 156 0.074 8.562 8.340 1.00 0.84 C ATOM 2561 C LEU A 156 -0.914 7.594 7.684 1.00 0.73 C ATOM 2562 O LEU A 156 -1.626 6.872 8.380 1.00 0.72 O ATOM 2563 CB LEU A 156 -0.216 10.034 7.972 1.00 0.96 C ATOM 2564 CG LEU A 156 -1.711 10.440 8.027 1.00 1.21 C ATOM 2565 CD1 LEU A 156 -2.031 11.198 9.315 1.00 2.02 C ATOM 2566 CD2 LEU A 156 -2.072 11.286 6.799 1.00 2.91 C ATOM 0 H LEU A 156 1.908 8.991 7.422 1.00 0.82 H new ATOM 0 HA LEU A 156 -0.041 8.449 9.418 1.00 0.84 H new ATOM 0 HB2 LEU A 156 0.345 10.679 8.648 1.00 0.96 H new ATOM 0 HB3 LEU A 156 0.159 10.222 6.966 1.00 0.96 H new ATOM 0 HG LEU A 156 -2.313 9.531 8.019 1.00 1.21 H new ATOM 0 HD11 LEU A 156 -3.087 11.469 9.325 1.00 2.02 H new ATOM 0 HD12 LEU A 156 -1.811 10.564 10.174 1.00 2.02 H new ATOM 0 HD13 LEU A 156 -1.424 12.102 9.366 1.00 2.02 H new ATOM 0 HD21 LEU A 156 -3.124 11.566 6.847 1.00 2.91 H new ATOM 0 HD22 LEU A 156 -1.457 12.186 6.784 1.00 2.91 H new ATOM 0 HD23 LEU A 156 -1.891 10.708 5.893 1.00 2.91 H new ATOM 2578 N LEU A 157 -0.968 7.586 6.348 1.00 0.69 N ATOM 2579 CA LEU A 157 -1.964 6.860 5.562 1.00 0.66 C ATOM 2580 C LEU A 157 -1.950 5.387 5.946 1.00 0.67 C ATOM 2581 O LEU A 157 -2.997 4.840 6.273 1.00 0.68 O ATOM 2582 CB LEU A 157 -1.688 7.031 4.046 1.00 0.60 C ATOM 2583 CG LEU A 157 -1.886 8.443 3.448 1.00 0.70 C ATOM 2584 CD1 LEU A 157 -1.154 8.528 2.098 1.00 2.27 C ATOM 2585 CD2 LEU A 157 -3.353 8.814 3.237 1.00 1.80 C ATOM 0 H LEU A 157 -0.301 8.099 5.771 1.00 0.69 H new ATOM 0 HA LEU A 157 -2.951 7.270 5.776 1.00 0.66 H new ATOM 0 HB2 LEU A 157 -0.660 6.723 3.853 1.00 0.60 H new ATOM 0 HB3 LEU A 157 -2.335 6.341 3.505 1.00 0.60 H new ATOM 0 HG LEU A 157 -1.477 9.149 4.170 1.00 0.70 H new ATOM 0 HD11 LEU A 157 -1.291 9.522 1.672 1.00 2.27 H new ATOM 0 HD12 LEU A 157 -0.091 8.340 2.248 1.00 2.27 H new ATOM 0 HD13 LEU A 157 -1.561 7.782 1.416 1.00 2.27 H new ATOM 0 HD21 LEU A 157 -3.418 9.817 2.815 1.00 1.80 H new ATOM 0 HD22 LEU A 157 -3.814 8.102 2.552 1.00 1.80 H new ATOM 0 HD23 LEU A 157 -3.876 8.788 4.193 1.00 1.80 H new ATOM 2597 N VAL A 158 -0.774 4.764 5.965 1.00 0.65 N ATOM 2598 CA VAL A 158 -0.633 3.355 6.338 1.00 0.61 C ATOM 2599 C VAL A 158 -1.037 3.061 7.787 1.00 0.58 C ATOM 2600 O VAL A 158 -1.742 2.080 7.995 1.00 0.58 O ATOM 2601 CB VAL A 158 0.752 2.786 5.963 1.00 0.64 C ATOM 2602 CG1 VAL A 158 1.844 3.166 6.968 1.00 0.66 C ATOM 2603 CG2 VAL A 158 0.648 1.262 5.773 1.00 0.68 C ATOM 0 H VAL A 158 0.107 5.218 5.723 1.00 0.65 H new ATOM 0 HA VAL A 158 -1.359 2.812 5.733 1.00 0.61 H new ATOM 0 HB VAL A 158 1.058 3.240 5.020 1.00 0.64 H new ATOM 0 HG11 VAL A 158 2.795 2.738 6.651 1.00 0.66 H new ATOM 0 HG12 VAL A 158 1.933 4.251 7.016 1.00 0.66 H new ATOM 0 HG13 VAL A 158 1.582 2.780 7.953 1.00 0.66 H new ATOM 0 HG21 VAL A 158 1.626 0.861 5.508 1.00 0.68 H new ATOM 0 HG22 VAL A 158 0.306 0.802 6.700 1.00 0.68 H new ATOM 0 HG23 VAL A 158 -0.062 1.042 4.976 1.00 0.68 H new ATOM 2613 N ARG A 159 -0.662 3.890 8.778 1.00 0.60 N ATOM 2614 CA ARG A 159 -1.095 3.693 10.177 1.00 0.63 C ATOM 2615 C ARG A 159 -2.613 3.813 10.301 1.00 0.64 C ATOM 2616 O ARG A 159 -3.280 2.953 10.878 1.00 0.69 O ATOM 2617 CB ARG A 159 -0.410 4.697 11.130 1.00 0.69 C ATOM 2618 CG ARG A 159 -0.836 4.490 12.605 1.00 1.21 C ATOM 2619 CD ARG A 159 -0.466 5.634 13.561 1.00 1.17 C ATOM 2620 NE ARG A 159 0.966 5.965 13.530 1.00 1.84 N ATOM 2621 CZ ARG A 159 1.498 7.076 13.032 1.00 3.29 C ATOM 2622 NH1 ARG A 159 0.792 7.971 12.369 1.00 4.39 N ATOM 2623 NH2 ARG A 159 2.782 7.301 13.214 1.00 4.35 N ATOM 0 H ARG A 159 -0.061 4.702 8.638 1.00 0.60 H new ATOM 0 HA ARG A 159 -0.795 2.686 10.467 1.00 0.63 H new ATOM 0 HB2 ARG A 159 0.672 4.592 11.048 1.00 0.69 H new ATOM 0 HB3 ARG A 159 -0.656 5.713 10.822 1.00 0.69 H new ATOM 0 HG2 ARG A 159 -1.916 4.346 12.637 1.00 1.21 H new ATOM 0 HG3 ARG A 159 -0.381 3.570 12.972 1.00 1.21 H new ATOM 0 HD2 ARG A 159 -1.044 6.520 13.300 1.00 1.17 H new ATOM 0 HD3 ARG A 159 -0.748 5.357 14.577 1.00 1.17 H new ATOM 0 HE ARG A 159 1.609 5.280 13.927 1.00 1.84 H new ATOM 0 HH11 ARG A 159 -0.206 7.825 12.220 1.00 4.39 H new ATOM 0 HH12 ARG A 159 1.244 8.810 12.005 1.00 4.39 H new ATOM 0 HH21 ARG A 159 3.350 6.628 13.729 1.00 4.35 H new ATOM 0 HH22 ARG A 159 3.209 8.148 12.840 1.00 4.35 H new ATOM 2637 N GLU A 160 -3.146 4.900 9.761 1.00 0.61 N ATOM 2638 CA GLU A 160 -4.520 5.305 9.998 1.00 0.61 C ATOM 2639 C GLU A 160 -5.484 4.429 9.184 1.00 0.68 C ATOM 2640 O GLU A 160 -6.515 4.008 9.705 1.00 0.75 O ATOM 2641 CB GLU A 160 -4.672 6.784 9.629 1.00 0.61 C ATOM 2642 CG GLU A 160 -4.214 7.864 10.627 1.00 1.20 C ATOM 2643 CD GLU A 160 -3.033 7.495 11.538 1.00 2.22 C ATOM 2644 OE1 GLU A 160 -3.259 6.720 12.489 1.00 3.59 O ATOM 2645 OE2 GLU A 160 -1.907 8.021 11.364 1.00 3.14 O ATOM 0 H GLU A 160 -2.632 5.528 9.143 1.00 0.61 H new ATOM 0 HA GLU A 160 -4.768 5.174 11.051 1.00 0.61 H new ATOM 0 HB2 GLU A 160 -4.128 6.946 8.699 1.00 0.61 H new ATOM 0 HB3 GLU A 160 -5.726 6.961 9.416 1.00 0.61 H new ATOM 0 HG2 GLU A 160 -3.945 8.758 10.064 1.00 1.20 H new ATOM 0 HG3 GLU A 160 -5.063 8.128 11.258 1.00 1.20 H new ATOM 2652 N SER A 161 -5.123 4.074 7.947 1.00 0.69 N ATOM 2653 CA SER A 161 -5.871 3.104 7.145 1.00 0.74 C ATOM 2654 C SER A 161 -5.835 1.717 7.792 1.00 0.69 C ATOM 2655 O SER A 161 -6.889 1.116 7.969 1.00 0.72 O ATOM 2656 CB SER A 161 -5.327 3.038 5.711 1.00 0.81 C ATOM 2657 OG SER A 161 -6.088 2.148 4.911 1.00 1.35 O ATOM 0 H SER A 161 -4.302 4.452 7.474 1.00 0.69 H new ATOM 0 HA SER A 161 -6.908 3.438 7.103 1.00 0.74 H new ATOM 0 HB2 SER A 161 -5.344 4.034 5.267 1.00 0.81 H new ATOM 0 HB3 SER A 161 -4.286 2.714 5.729 1.00 0.81 H new ATOM 0 HG SER A 161 -5.488 1.638 4.328 1.00 1.35 H new ATOM 2663 N LEU A 162 -4.669 1.243 8.258 1.00 0.67 N ATOM 2664 CA LEU A 162 -4.528 -0.062 8.915 1.00 0.67 C ATOM 2665 C LEU A 162 -5.482 -0.171 10.101 1.00 0.70 C ATOM 2666 O LEU A 162 -6.252 -1.128 10.173 1.00 0.74 O ATOM 2667 CB LEU A 162 -3.066 -0.205 9.380 1.00 0.79 C ATOM 2668 CG LEU A 162 -2.738 -1.346 10.363 1.00 1.65 C ATOM 2669 CD1 LEU A 162 -2.695 -2.692 9.644 1.00 1.84 C ATOM 2670 CD2 LEU A 162 -1.370 -1.047 10.984 1.00 2.92 C ATOM 0 H LEU A 162 -3.792 1.760 8.188 1.00 0.67 H new ATOM 0 HA LEU A 162 -4.779 -0.862 8.218 1.00 0.67 H new ATOM 0 HB2 LEU A 162 -2.443 -0.335 8.495 1.00 0.79 H new ATOM 0 HB3 LEU A 162 -2.768 0.735 9.845 1.00 0.79 H new ATOM 0 HG LEU A 162 -3.510 -1.405 11.130 1.00 1.65 H new ATOM 0 HD11 LEU A 162 -2.462 -3.480 10.360 1.00 1.84 H new ATOM 0 HD12 LEU A 162 -3.665 -2.892 9.188 1.00 1.84 H new ATOM 0 HD13 LEU A 162 -1.928 -2.667 8.870 1.00 1.84 H new ATOM 0 HD21 LEU A 162 -1.108 -1.838 11.686 1.00 2.92 H new ATOM 0 HD22 LEU A 162 -0.617 -0.996 10.198 1.00 2.92 H new ATOM 0 HD23 LEU A 162 -1.410 -0.093 11.510 1.00 2.92 H new ATOM 2682 N MET A 163 -5.458 0.802 11.016 1.00 0.74 N ATOM 2683 CA MET A 163 -6.280 0.735 12.223 1.00 0.84 C ATOM 2684 C MET A 163 -7.774 0.893 11.926 1.00 0.82 C ATOM 2685 O MET A 163 -8.582 0.165 12.499 1.00 0.87 O ATOM 2686 CB MET A 163 -5.759 1.686 13.307 1.00 1.01 C ATOM 2687 CG MET A 163 -6.073 3.165 13.094 1.00 0.88 C ATOM 2688 SD MET A 163 -5.642 4.158 14.537 1.00 1.64 S ATOM 2689 CE MET A 163 -6.241 5.739 13.919 1.00 1.10 C ATOM 0 H MET A 163 -4.881 1.640 10.943 1.00 0.74 H new ATOM 0 HA MET A 163 -6.184 -0.271 12.632 1.00 0.84 H new ATOM 0 HB2 MET A 163 -6.177 1.379 14.266 1.00 1.01 H new ATOM 0 HB3 MET A 163 -4.678 1.569 13.378 1.00 1.01 H new ATOM 0 HG2 MET A 163 -5.526 3.531 12.225 1.00 0.88 H new ATOM 0 HG3 MET A 163 -7.134 3.283 12.876 1.00 0.88 H new ATOM 0 HE1 MET A 163 -5.393 6.380 13.677 1.00 1.10 H new ATOM 0 HE2 MET A 163 -6.840 5.576 13.023 1.00 1.10 H new ATOM 0 HE3 MET A 163 -6.853 6.220 14.682 1.00 1.10 H new ATOM 2699 N ALA A 164 -8.152 1.808 11.030 1.00 0.77 N ATOM 2700 CA ALA A 164 -9.547 2.055 10.670 1.00 0.76 C ATOM 2701 C ALA A 164 -10.157 0.879 9.892 1.00 0.74 C ATOM 2702 O ALA A 164 -11.280 0.470 10.190 1.00 0.79 O ATOM 2703 CB ALA A 164 -9.638 3.385 9.912 1.00 0.75 C ATOM 0 H ALA A 164 -7.491 2.403 10.530 1.00 0.77 H new ATOM 0 HA ALA A 164 -10.146 2.136 11.577 1.00 0.76 H new ATOM 0 HB1 ALA A 164 -10.675 3.578 9.639 1.00 0.75 H new ATOM 0 HB2 ALA A 164 -9.274 4.192 10.548 1.00 0.75 H new ATOM 0 HB3 ALA A 164 -9.029 3.332 9.009 1.00 0.75 H new ATOM 2709 N LEU A 165 -9.412 0.301 8.940 1.00 0.70 N ATOM 2710 CA LEU A 165 -9.827 -0.881 8.174 1.00 0.73 C ATOM 2711 C LEU A 165 -9.939 -2.081 9.121 1.00 0.80 C ATOM 2712 O LEU A 165 -10.940 -2.794 9.089 1.00 0.85 O ATOM 2713 CB LEU A 165 -8.809 -1.127 7.030 1.00 0.66 C ATOM 2714 CG LEU A 165 -9.262 -1.891 5.769 1.00 0.73 C ATOM 2715 CD1 LEU A 165 -10.149 -3.112 6.038 1.00 1.47 C ATOM 2716 CD2 LEU A 165 -9.951 -0.946 4.776 1.00 1.86 C ATOM 0 H LEU A 165 -8.489 0.647 8.677 1.00 0.70 H new ATOM 0 HA LEU A 165 -10.806 -0.727 7.720 1.00 0.73 H new ATOM 0 HB2 LEU A 165 -8.437 -0.155 6.708 1.00 0.66 H new ATOM 0 HB3 LEU A 165 -7.963 -1.668 7.455 1.00 0.66 H new ATOM 0 HG LEU A 165 -8.343 -2.285 5.336 1.00 0.73 H new ATOM 0 HD11 LEU A 165 -10.416 -3.583 5.092 1.00 1.47 H new ATOM 0 HD12 LEU A 165 -9.607 -3.826 6.658 1.00 1.47 H new ATOM 0 HD13 LEU A 165 -11.055 -2.797 6.555 1.00 1.47 H new ATOM 0 HD21 LEU A 165 -10.262 -1.508 3.895 1.00 1.86 H new ATOM 0 HD22 LEU A 165 -10.826 -0.498 5.247 1.00 1.86 H new ATOM 0 HD23 LEU A 165 -9.256 -0.160 4.479 1.00 1.86 H new ATOM 2728 N MET A 166 -8.978 -2.258 10.037 1.00 0.82 N ATOM 2729 CA MET A 166 -9.029 -3.333 11.031 1.00 0.93 C ATOM 2730 C MET A 166 -10.242 -3.191 11.959 1.00 0.94 C ATOM 2731 O MET A 166 -10.953 -4.171 12.176 1.00 0.99 O ATOM 2732 CB MET A 166 -7.705 -3.386 11.809 1.00 1.01 C ATOM 2733 CG MET A 166 -7.641 -4.613 12.718 1.00 1.77 C ATOM 2734 SD MET A 166 -7.693 -6.193 11.828 1.00 2.42 S ATOM 2735 CE MET A 166 -8.326 -7.243 13.155 1.00 1.81 C ATOM 0 H MET A 166 -8.151 -1.665 10.108 1.00 0.82 H new ATOM 0 HA MET A 166 -9.156 -4.283 10.512 1.00 0.93 H new ATOM 0 HB2 MET A 166 -6.870 -3.406 11.108 1.00 1.01 H new ATOM 0 HB3 MET A 166 -7.597 -2.482 12.408 1.00 1.01 H new ATOM 0 HG2 MET A 166 -6.725 -4.569 13.307 1.00 1.77 H new ATOM 0 HG3 MET A 166 -8.473 -4.576 13.421 1.00 1.77 H new ATOM 0 HE1 MET A 166 -8.410 -8.270 12.798 1.00 1.81 H new ATOM 0 HE2 MET A 166 -7.643 -7.208 14.004 1.00 1.81 H new ATOM 0 HE3 MET A 166 -9.308 -6.885 13.465 1.00 1.81 H new ATOM 2745 N ARG A 167 -10.540 -1.976 12.437 1.00 0.93 N ATOM 2746 CA ARG A 167 -11.749 -1.663 13.221 1.00 0.98 C ATOM 2747 C ARG A 167 -13.070 -1.860 12.459 1.00 0.96 C ATOM 2748 O ARG A 167 -14.131 -1.928 13.084 1.00 1.02 O ATOM 2749 CB ARG A 167 -11.649 -0.237 13.803 1.00 1.00 C ATOM 2750 CG ARG A 167 -10.950 -0.249 15.170 1.00 1.16 C ATOM 2751 CD ARG A 167 -11.910 -0.754 16.261 1.00 1.76 C ATOM 2752 NE ARG A 167 -11.190 -1.163 17.479 1.00 2.33 N ATOM 2753 CZ ARG A 167 -11.315 -2.317 18.129 1.00 3.71 C ATOM 2754 NH1 ARG A 167 -12.076 -3.303 17.700 1.00 4.69 N ATOM 2755 NH2 ARG A 167 -10.658 -2.503 19.253 1.00 4.51 N ATOM 0 H ARG A 167 -9.938 -1.166 12.289 1.00 0.93 H new ATOM 0 HA ARG A 167 -11.781 -2.391 14.032 1.00 0.98 H new ATOM 0 HB2 ARG A 167 -11.098 0.403 13.114 1.00 1.00 H new ATOM 0 HB3 ARG A 167 -12.647 0.189 13.905 1.00 1.00 H new ATOM 0 HG2 ARG A 167 -10.068 -0.888 15.129 1.00 1.16 H new ATOM 0 HG3 ARG A 167 -10.605 0.755 15.417 1.00 1.16 H new ATOM 0 HD2 ARG A 167 -12.624 0.031 16.508 1.00 1.76 H new ATOM 0 HD3 ARG A 167 -12.484 -1.598 15.878 1.00 1.76 H new ATOM 0 HE ARG A 167 -10.526 -0.491 17.864 1.00 2.33 H new ATOM 0 HH11 ARG A 167 -12.603 -3.200 16.833 1.00 4.69 H new ATOM 0 HH12 ARG A 167 -12.138 -4.169 18.235 1.00 4.69 H new ATOM 0 HH21 ARG A 167 -10.058 -1.765 19.621 1.00 4.51 H new ATOM 0 HH22 ARG A 167 -10.749 -3.385 19.757 1.00 4.51 H new ATOM 2769 N LEU A 168 -13.021 -1.954 11.128 1.00 0.94 N ATOM 2770 CA LEU A 168 -14.163 -2.254 10.259 1.00 0.97 C ATOM 2771 C LEU A 168 -14.250 -3.732 9.836 1.00 1.07 C ATOM 2772 O LEU A 168 -15.306 -4.148 9.353 1.00 1.33 O ATOM 2773 CB LEU A 168 -14.124 -1.271 9.074 1.00 0.88 C ATOM 2774 CG LEU A 168 -15.126 -0.123 9.316 1.00 0.79 C ATOM 2775 CD1 LEU A 168 -14.652 1.178 8.666 1.00 1.92 C ATOM 2776 CD2 LEU A 168 -16.507 -0.545 8.797 1.00 1.38 C ATOM 0 H LEU A 168 -12.155 -1.819 10.607 1.00 0.94 H new ATOM 0 HA LEU A 168 -15.088 -2.109 10.817 1.00 0.97 H new ATOM 0 HB2 LEU A 168 -13.118 -0.869 8.956 1.00 0.88 H new ATOM 0 HB3 LEU A 168 -14.370 -1.792 8.149 1.00 0.88 H new ATOM 0 HG LEU A 168 -15.195 0.073 10.386 1.00 0.79 H new ATOM 0 HD11 LEU A 168 -15.381 1.966 8.856 1.00 1.92 H new ATOM 0 HD12 LEU A 168 -13.689 1.465 9.088 1.00 1.92 H new ATOM 0 HD13 LEU A 168 -14.548 1.031 7.591 1.00 1.92 H new ATOM 0 HD21 LEU A 168 -17.221 0.262 8.965 1.00 1.38 H new ATOM 0 HD22 LEU A 168 -16.445 -0.759 7.730 1.00 1.38 H new ATOM 0 HD23 LEU A 168 -16.838 -1.438 9.327 1.00 1.38 H new ATOM 2788 N ASN A 169 -13.212 -4.540 10.068 1.00 1.00 N ATOM 2789 CA ASN A 169 -13.279 -6.001 9.943 1.00 1.08 C ATOM 2790 C ASN A 169 -13.535 -6.696 11.296 1.00 1.12 C ATOM 2791 O ASN A 169 -14.416 -7.549 11.382 1.00 1.28 O ATOM 2792 CB ASN A 169 -11.952 -6.514 9.346 1.00 1.21 C ATOM 2793 CG ASN A 169 -12.053 -6.754 7.844 1.00 1.38 C ATOM 2794 OD1 ASN A 169 -12.056 -5.831 7.039 1.00 2.00 O ATOM 2795 ND2 ASN A 169 -12.157 -8.004 7.422 1.00 2.02 N ATOM 0 H ASN A 169 -12.294 -4.197 10.350 1.00 1.00 H new ATOM 0 HA ASN A 169 -14.118 -6.242 9.290 1.00 1.08 H new ATOM 0 HB2 ASN A 169 -11.162 -5.790 9.544 1.00 1.21 H new ATOM 0 HB3 ASN A 169 -11.666 -7.441 9.842 1.00 1.21 H new ATOM 0 HD21 ASN A 169 -12.240 -8.200 6.425 1.00 2.02 H new ATOM 0 HD22 ASN A 169 -12.154 -8.771 8.094 1.00 2.02 H new ATOM 2802 N ASP A 170 -12.787 -6.322 12.346 1.00 1.12 N ATOM 2803 CA ASP A 170 -12.726 -6.973 13.673 1.00 1.26 C ATOM 2804 C ASP A 170 -12.463 -8.505 13.650 1.00 1.83 C ATOM 2805 O ASP A 170 -12.569 -9.184 14.674 1.00 2.33 O ATOM 2806 CB ASP A 170 -13.943 -6.554 14.530 1.00 1.80 C ATOM 2807 CG ASP A 170 -13.536 -5.579 15.649 1.00 2.11 C ATOM 2808 OD1 ASP A 170 -13.384 -4.364 15.376 1.00 3.01 O ATOM 2809 OD2 ASP A 170 -13.366 -6.030 16.806 1.00 2.79 O ATOM 0 H ASP A 170 -12.171 -5.511 12.293 1.00 1.12 H new ATOM 0 HA ASP A 170 -11.826 -6.598 14.161 1.00 1.26 H new ATOM 0 HB2 ASP A 170 -14.694 -6.086 13.893 1.00 1.80 H new ATOM 0 HB3 ASP A 170 -14.404 -7.440 14.967 1.00 1.80 H new ATOM 2814 N GLU A 171 -12.108 -9.048 12.480 1.00 2.25 N ATOM 2815 CA GLU A 171 -11.971 -10.465 12.139 1.00 3.36 C ATOM 2816 C GLU A 171 -10.505 -10.894 11.932 1.00 4.26 C ATOM 2817 O GLU A 171 -10.186 -12.072 12.207 1.00 5.36 O ATOM 2818 CB GLU A 171 -12.791 -10.680 10.852 1.00 3.68 C ATOM 2819 CG GLU A 171 -12.981 -12.158 10.516 1.00 4.25 C ATOM 2820 CD GLU A 171 -13.907 -12.354 9.294 1.00 4.88 C ATOM 2821 OE1 GLU A 171 -13.489 -12.053 8.148 1.00 5.42 O ATOM 2822 OE2 GLU A 171 -15.060 -12.826 9.462 1.00 5.41 O ATOM 2823 OXT GLU A 171 -9.692 -10.063 11.470 1.00 4.29 O ATOM 0 H GLU A 171 -11.891 -8.454 11.680 1.00 2.25 H new ATOM 0 HA GLU A 171 -12.335 -11.080 12.962 1.00 3.36 H new ATOM 0 HB2 GLU A 171 -13.767 -10.209 10.965 1.00 3.68 H new ATOM 0 HB3 GLU A 171 -12.291 -10.183 10.020 1.00 3.68 H new ATOM 0 HG2 GLU A 171 -12.011 -12.612 10.314 1.00 4.25 H new ATOM 0 HG3 GLU A 171 -13.402 -12.676 11.378 1.00 4.25 H new TER 2830 GLU A 171 HETATM 2831 C8 HTF A 172 -4.861 -9.065 -7.290 1.00 1.16 C HETATM 2832 C7 HTF A 172 -4.126 -7.989 -6.488 1.00 1.33 C HETATM 2833 C6 HTF A 172 -2.827 -8.569 -5.917 1.00 1.27 C HETATM 2834 C5 HTF A 172 -1.977 -7.587 -5.102 1.00 1.15 C HETATM 2835 C4 HTF A 172 -1.543 -6.366 -5.928 1.00 2.05 C HETATM 2836 C3 HTF A 172 -0.213 -5.776 -5.436 1.00 1.94 C HETATM 2837 C2 HTF A 172 0.997 -6.553 -5.990 1.00 2.37 C HETATM 2838 C1 HTF A 172 1.567 -5.989 -7.294 1.00 2.55 C HETATM 2839 O1 HTF A 172 0.837 -5.681 -8.238 1.00 3.65 O HETATM 2840 N HTF A 172 2.891 -5.849 -7.319 1.00 2.04 N HETATM 2841 CA HTF A 172 3.774 -5.371 -8.390 1.00 2.20 C HETATM 2842 C HTF A 172 5.083 -4.756 -7.899 1.00 2.74 C HETATM 2843 O HTF A 172 5.671 -5.120 -6.878 1.00 4.19 O HETATM 2844 OD HTF A 172 5.439 -3.769 -8.701 1.00 2.77 O HETATM 2845 CG HTF A 172 4.522 -3.651 -9.775 1.00 2.70 C HETATM 2846 CB HTF A 172 3.211 -4.233 -9.240 1.00 2.84 C HETATM 0 HN HTF A 172 3.367 -6.116 -6.457 1.00 2.04 H new HETATM 0 HG3 HTF A 172 4.398 -2.611 -10.076 1.00 2.70 H new HETATM 0 HG2 HTF A 172 4.868 -4.198 -10.652 1.00 2.70 H new HETATM 0 HB3 HTF A 172 2.554 -4.588 -10.034 1.00 2.84 H new HETATM 0 HB2 HTF A 172 2.641 -3.513 -8.653 1.00 2.84 H new HETATM 0 HA HTF A 172 3.901 -6.298 -8.948 1.00 2.20 H new HETATM 0 H83 HTF A 172 -4.227 -9.406 -8.108 1.00 1.16 H new HETATM 0 H82 HTF A 172 -5.097 -9.907 -6.639 1.00 1.16 H new HETATM 0 H81 HTF A 172 -5.784 -8.650 -7.695 1.00 1.16 H new HETATM 0 H73 HTF A 172 -3.904 -7.134 -7.126 1.00 1.33 H new HETATM 0 H72 HTF A 172 -4.761 -7.627 -5.679 1.00 1.33 H new HETATM 0 H63 HTF A 172 -3.075 -9.421 -5.285 1.00 1.27 H new HETATM 0 H62 HTF A 172 -2.224 -8.949 -6.742 1.00 1.27 H new HETATM 0 H53 HTF A 172 -2.545 -7.252 -4.234 1.00 1.15 H new HETATM 0 H52 HTF A 172 -1.093 -8.101 -4.726 1.00 1.15 H new HETATM 0 H43 HTF A 172 -1.446 -6.654 -6.975 1.00 2.05 H new HETATM 0 H42 HTF A 172 -2.318 -5.601 -5.878 1.00 2.05 H new HETATM 0 H33 HTF A 172 -0.144 -4.731 -5.740 1.00 1.94 H new HETATM 0 H32 HTF A 172 -0.188 -5.794 -4.346 1.00 1.94 H new HETATM 0 H23 HTF A 172 1.785 -6.560 -5.237 1.00 2.37 H new HETATM 0 H22 HTF A 172 0.703 -7.590 -6.154 1.00 2.37 H new