USER MOD reduce.3.24.130724 H: found=0, std=0, add=1098, rem=0, adj=59 USER MOD reduce.3.24.130724 removed 1099 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 ASN : amide:sc= -1.08 K(o=-3.9,f=-8.9!) USER MOD Set 1.2: A 155 TYR OH : rot 120:sc= 0.142 USER MOD Set 1.3: A 157 MET CE :methyl -127:sc= -2.99 (180deg=-1.26) USER MOD Set 2.1: A 147 THR OG1 : rot 110:sc= 0 USER MOD Set 2.2: A 151 ASN : amide:sc= 0.387 K(o=0.39,f=-2.3!) USER MOD Set 3.1: A 124 ASN : amide:sc= 0.0332 X(o=0.068,f=0) USER MOD Set 3.2: A 133 THR OG1 : rot 180:sc= 0.0344 USER MOD Set 4.1: A 112 ASN : amide:sc= -0.0686 K(o=-0.33,f=-10!) USER MOD Set 4.2: A 152 LYS NZ :NH3+ -178:sc= -0.264! (180deg=-1.35!) USER MOD Set 5.1: A 101 ASN : amide:sc= -0.814 K(o=0.055,f=-0.48) USER MOD Set 5.2: A 104 THR OG1 : rot -82:sc= 0.868 USER MOD Set 6.1: A 62 THR OG1 : rot -161:sc= -3.38! USER MOD Set 6.2: A 70 ASN : amide:sc= -0.158 K(o=-2.3,f=-2.9) USER MOD Set 6.3: A 85 THR OG1 : rot -108:sc= 1.24 USER MOD Set 7.1: A 53 TYR OH : rot -125:sc= 1.87 USER MOD Set 7.2: A 83 TYR OH : rot -118:sc= 0.869 USER MOD Set 7.3: A 117 ASN : amide:sc= 1.05 X(o=3.8,f=3.6) USER MOD Set 8.1: A 52 ASN : amide:sc= -1.6! C(o=-1.7!,f=-12!) USER MOD Set 8.2: A 60 LYS NZ :NH3+ 146:sc= -0.0867! (180deg=-2.58!) USER MOD Set 9.1: A 34 SER OG : rot 156:sc= -1.12! USER MOD Set 9.2: A 76 ASN :FLIP amide:sc= 0.296 F(o=-1.8!,f=-0.82) USER MOD Set10.1: A 22 THR OG1 : rot -102:sc= 1.28 USER MOD Set10.2: A 82 TYR OH : rot 52:sc= 0.286 USER MOD Set11.1: A 10 LYS NZ :NH3+ 176:sc= 1.15 (180deg=0) USER MOD Set11.2: A 96 SER OG : rot 129:sc= 1.06 USER MOD Single : A 4 SER OG : rot 25:sc= 0.196 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -69:sc= 1.11 USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 11 SER OG : rot -120:sc= -0.332 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.0212 F(o=-1.2,f=-0.021) USER MOD Single : A 13 ASN : amide:sc= 1.25 K(o=1.2,f=-0.025) USER MOD Single : A 16 SER OG : rot 71:sc= 0.999 USER MOD Single : A 19 MET CE :methyl 162:sc= -0.164 (180deg=-0.697) USER MOD Single : A 20 SER OG : rot 84:sc= 0.371 USER MOD Single : A 23 SER OG : rot -90:sc= 1.22 USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 29 TYR OH : rot 30:sc= -0.299 USER MOD Single : A 32 GLN : amide:sc=-0.00978 K(o=-0.0098,f=-0.68) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.694 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0118 USER MOD Single : A 41 THR OG1 : rot 72:sc= 1.21 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 46 THR OG1 : rot 77:sc= 0.343 USER MOD Single : A 47 SER OG : rot 78:sc= 0.315 USER MOD Single : A 54 LYS NZ :NH3+ 144:sc= 0.409 (180deg=-0.579!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= -0.483 F(o=-1.5,f=-0.48) USER MOD Single : A 59 LYS NZ :NH3+ 166:sc= -0.0481 (180deg=-0.275) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0701 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0906 USER MOD Single : A 91 LYS NZ :NH3+ -128:sc= 1.27 (180deg=-0.33) USER MOD Single : A 99 THR OG1 : rot -90:sc= -0.0418 USER MOD Single : A 105 SER OG : rot 130:sc= -1.62! USER MOD Single : A 107 LYS NZ :NH3+ -155:sc= 0.827 (180deg=-0.505) USER MOD Single : A 109 TYR OH : rot 180:sc= -0.0969 USER MOD Single : A 114 SER OG : rot -57:sc= 0.293 USER MOD Single : A 118 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 120 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= -0.202 USER MOD Single : A 128 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 LYS NZ :NH3+ -172:sc= -5.75! (180deg=-6.51!) USER MOD Single : A 132 SER OG : rot 180:sc= 0.0701 USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 THR OG1 : rot 70:sc= 1.14 USER MOD Single : A 145 LYS NZ :NH3+ 158:sc= -0.123 (180deg=-0.566) USER MOD Single : A 146 ASN :FLIP amide:sc= -0.0765 F(o=-1.5!,f=-0.077) USER MOD Single : A 149 SER OG : rot -64:sc= 0.57 USER MOD Single : A 150 THR OG1 : rot 174:sc= -2.29! USER MOD Single : A 154 THR OG1 : rot -92:sc= 1.28 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N SER A 4 -18.830 -7.516 -0.125 1.00 1.43 N ATOM 53 CA SER A 4 -17.981 -6.558 -0.814 1.00 0.82 C ATOM 54 C SER A 4 -17.802 -6.932 -2.289 1.00 0.93 C ATOM 55 O SER A 4 -17.224 -6.162 -3.063 1.00 1.64 O ATOM 56 CB SER A 4 -16.631 -6.461 -0.102 1.00 0.60 C ATOM 57 OG SER A 4 -16.811 -6.193 1.277 1.00 1.23 O ATOM 0 HA SER A 4 -18.464 -5.581 -0.787 1.00 0.82 H new ATOM 0 HB2 SER A 4 -16.080 -7.393 -0.228 1.00 0.60 H new ATOM 0 HB3 SER A 4 -16.031 -5.672 -0.556 1.00 0.60 H new ATOM 0 HG SER A 4 -17.697 -6.505 1.558 1.00 1.23 H new ATOM 63 N ALA A 5 -18.291 -8.122 -2.658 1.00 1.31 N ATOM 64 CA ALA A 5 -18.321 -8.596 -4.051 1.00 1.41 C ATOM 65 C ALA A 5 -16.933 -8.970 -4.575 1.00 1.33 C ATOM 66 O ALA A 5 -16.716 -10.091 -5.034 1.00 1.96 O ATOM 67 CB ALA A 5 -18.985 -7.567 -4.961 1.00 1.72 C ATOM 0 H ALA A 5 -18.681 -8.791 -1.994 1.00 1.31 H new ATOM 0 HA ALA A 5 -18.918 -9.508 -4.060 1.00 1.41 H new ATOM 0 HB1 ALA A 5 -18.995 -7.940 -5.985 1.00 1.72 H new ATOM 0 HB2 ALA A 5 -20.008 -7.393 -4.628 1.00 1.72 H new ATOM 0 HB3 ALA A 5 -18.427 -6.632 -4.921 1.00 1.72 H new ATOM 73 N SER A 6 -15.993 -8.040 -4.504 1.00 1.05 N ATOM 74 CA SER A 6 -14.628 -8.300 -4.947 1.00 0.98 C ATOM 75 C SER A 6 -13.816 -8.875 -3.799 1.00 0.84 C ATOM 76 O SER A 6 -12.613 -9.123 -3.923 1.00 0.79 O ATOM 77 CB SER A 6 -13.976 -7.014 -5.443 1.00 1.17 C ATOM 78 OG SER A 6 -14.797 -6.357 -6.395 1.00 1.25 O ATOM 0 H SER A 6 -16.148 -7.098 -4.144 1.00 1.05 H new ATOM 0 HA SER A 6 -14.657 -9.018 -5.767 1.00 0.98 H new ATOM 0 HB2 SER A 6 -13.789 -6.349 -4.600 1.00 1.17 H new ATOM 0 HB3 SER A 6 -13.008 -7.242 -5.889 1.00 1.17 H new ATOM 0 HG SER A 6 -14.356 -5.535 -6.695 1.00 1.25 H new ATOM 84 N ASP A 7 -14.509 -9.118 -2.699 1.00 0.83 N ATOM 85 CA ASP A 7 -13.894 -9.546 -1.449 1.00 0.77 C ATOM 86 C ASP A 7 -13.354 -10.961 -1.551 1.00 0.72 C ATOM 87 O ASP A 7 -12.656 -11.446 -0.660 1.00 0.82 O ATOM 88 CB ASP A 7 -14.909 -9.432 -0.310 1.00 0.85 C ATOM 89 CG ASP A 7 -16.215 -10.175 -0.572 1.00 0.92 C ATOM 90 OD1 ASP A 7 -16.185 -11.170 -1.329 1.00 1.18 O ATOM 91 OD2 ASP A 7 -17.266 -9.791 -0.014 1.00 1.36 O ATOM 0 H ASP A 7 -15.523 -9.024 -2.646 1.00 0.83 H new ATOM 0 HA ASP A 7 -13.048 -8.892 -1.240 1.00 0.77 H new ATOM 0 HB2 ASP A 7 -14.459 -9.818 0.605 1.00 0.85 H new ATOM 0 HB3 ASP A 7 -15.130 -8.379 -0.137 1.00 0.85 H new ATOM 96 N SER A 8 -13.673 -11.616 -2.648 1.00 0.69 N ATOM 97 CA SER A 8 -13.230 -12.967 -2.883 1.00 0.75 C ATOM 98 C SER A 8 -12.481 -13.078 -4.210 1.00 0.78 C ATOM 99 O SER A 8 -11.324 -13.497 -4.243 1.00 1.03 O ATOM 100 CB SER A 8 -14.439 -13.895 -2.854 1.00 0.89 C ATOM 101 OG SER A 8 -15.631 -13.161 -3.094 1.00 1.49 O ATOM 0 H SER A 8 -14.245 -11.225 -3.397 1.00 0.69 H new ATOM 0 HA SER A 8 -12.532 -13.260 -2.098 1.00 0.75 H new ATOM 0 HB2 SER A 8 -14.326 -14.674 -3.608 1.00 0.89 H new ATOM 0 HB3 SER A 8 -14.500 -14.394 -1.887 1.00 0.89 H new ATOM 0 HG SER A 8 -15.812 -12.573 -2.331 1.00 1.49 H new ATOM 107 N ASN A 9 -13.126 -12.653 -5.299 1.00 0.73 N ATOM 108 CA ASN A 9 -12.573 -12.848 -6.639 1.00 0.82 C ATOM 109 C ASN A 9 -11.298 -12.038 -6.844 1.00 0.77 C ATOM 110 O ASN A 9 -10.226 -12.600 -7.078 1.00 0.86 O ATOM 111 CB ASN A 9 -13.594 -12.471 -7.720 1.00 0.94 C ATOM 112 CG ASN A 9 -14.845 -13.324 -7.680 1.00 1.48 C ATOM 113 OD1 ASN A 9 -14.832 -14.452 -7.186 1.00 2.27 O ATOM 114 ND2 ASN A 9 -15.932 -12.803 -8.233 1.00 2.04 N ATOM 0 H ASN A 9 -14.027 -12.174 -5.279 1.00 0.73 H new ATOM 0 HA ASN A 9 -12.332 -13.907 -6.729 1.00 0.82 H new ATOM 0 HB2 ASN A 9 -13.872 -11.424 -7.600 1.00 0.94 H new ATOM 0 HB3 ASN A 9 -13.128 -12.566 -8.701 1.00 0.94 H new ATOM 0 HD21 ASN A 9 -16.798 -13.341 -8.260 1.00 2.04 H new ATOM 0 HD22 ASN A 9 -15.902 -11.865 -8.632 1.00 2.04 H new ATOM 121 N LYS A 10 -11.403 -10.719 -6.730 1.00 0.72 N ATOM 122 CA LYS A 10 -10.257 -9.852 -6.955 1.00 0.75 C ATOM 123 C LYS A 10 -9.243 -10.013 -5.829 1.00 0.70 C ATOM 124 O LYS A 10 -8.039 -9.845 -6.034 1.00 0.76 O ATOM 125 CB LYS A 10 -10.696 -8.389 -7.080 1.00 0.83 C ATOM 126 CG LYS A 10 -9.550 -7.450 -7.423 1.00 0.99 C ATOM 127 CD LYS A 10 -10.027 -6.030 -7.667 1.00 1.03 C ATOM 128 CE LYS A 10 -8.859 -5.112 -7.995 1.00 1.11 C ATOM 129 NZ LYS A 10 -9.297 -3.723 -8.286 1.00 1.56 N ATOM 0 H LYS A 10 -12.264 -10.231 -6.485 1.00 0.72 H new ATOM 0 HA LYS A 10 -9.785 -10.144 -7.893 1.00 0.75 H new ATOM 0 HB2 LYS A 10 -11.465 -8.311 -7.849 1.00 0.83 H new ATOM 0 HB3 LYS A 10 -11.150 -8.071 -6.142 1.00 0.83 H new ATOM 0 HG2 LYS A 10 -8.824 -7.453 -6.610 1.00 0.99 H new ATOM 0 HG3 LYS A 10 -9.035 -7.816 -8.311 1.00 0.99 H new ATOM 0 HD2 LYS A 10 -10.744 -6.019 -8.488 1.00 1.03 H new ATOM 0 HD3 LYS A 10 -10.548 -5.661 -6.784 1.00 1.03 H new ATOM 0 HE2 LYS A 10 -8.161 -5.102 -7.158 1.00 1.11 H new ATOM 0 HE3 LYS A 10 -8.319 -5.508 -8.855 1.00 1.11 H new ATOM 0 HZ1 LYS A 10 -8.463 -3.120 -8.437 1.00 1.56 H new ATOM 0 HZ2 LYS A 10 -9.888 -3.717 -9.142 1.00 1.56 H new ATOM 0 HZ3 LYS A 10 -9.848 -3.357 -7.483 1.00 1.56 H new ATOM 143 N SER A 11 -9.736 -10.365 -4.649 1.00 0.65 N ATOM 144 CA SER A 11 -8.878 -10.579 -3.495 1.00 0.64 C ATOM 145 C SER A 11 -7.886 -11.710 -3.762 1.00 0.66 C ATOM 146 O SER A 11 -6.684 -11.532 -3.589 1.00 0.67 O ATOM 147 CB SER A 11 -9.722 -10.882 -2.254 1.00 0.67 C ATOM 148 OG SER A 11 -8.935 -10.872 -1.075 1.00 1.52 O ATOM 0 H SER A 11 -10.729 -10.508 -4.467 1.00 0.65 H new ATOM 0 HA SER A 11 -8.310 -9.667 -3.313 1.00 0.64 H new ATOM 0 HB2 SER A 11 -10.520 -10.144 -2.166 1.00 0.67 H new ATOM 0 HB3 SER A 11 -10.199 -11.856 -2.366 1.00 0.67 H new ATOM 0 HG SER A 11 -8.983 -11.750 -0.642 1.00 1.52 H new ATOM 154 N GLN A 12 -8.387 -12.858 -4.216 1.00 0.72 N ATOM 155 CA GLN A 12 -7.529 -14.010 -4.490 1.00 0.81 C ATOM 156 C GLN A 12 -6.559 -13.714 -5.631 1.00 0.79 C ATOM 157 O GLN A 12 -5.428 -14.209 -5.643 1.00 0.85 O ATOM 158 CB GLN A 12 -8.369 -15.244 -4.818 1.00 0.95 C ATOM 159 CG GLN A 12 -9.236 -15.718 -3.660 1.00 1.19 C ATOM 160 CD GLN A 12 -9.970 -17.010 -3.965 1.00 1.74 C ATOM 161 OE1 GLN A 12 -9.349 -17.877 -4.745 1.00 2.34 O flip ATOM 162 NE2 GLN A 12 -11.078 -17.237 -3.478 1.00 2.40 N flip ATOM 0 H GLN A 12 -9.378 -13.015 -4.401 1.00 0.72 H new ATOM 0 HA GLN A 12 -6.947 -14.212 -3.591 1.00 0.81 H new ATOM 0 HB2 GLN A 12 -9.009 -15.021 -5.672 1.00 0.95 H new ATOM 0 HB3 GLN A 12 -7.706 -16.055 -5.120 1.00 0.95 H new ATOM 0 HG2 GLN A 12 -8.611 -15.860 -2.779 1.00 1.19 H new ATOM 0 HG3 GLN A 12 -9.962 -14.943 -3.414 1.00 1.19 H new ATOM 0 HE21 GLN A 12 -11.525 -16.541 -2.880 1.00 2.40 H new ATOM 0 HE22 GLN A 12 -11.549 -18.121 -3.672 1.00 2.40 H new ATOM 171 N ASN A 13 -6.997 -12.894 -6.581 1.00 0.77 N ATOM 172 CA ASN A 13 -6.131 -12.460 -7.674 1.00 0.81 C ATOM 173 C ASN A 13 -4.964 -11.647 -7.129 1.00 0.73 C ATOM 174 O ASN A 13 -3.815 -11.855 -7.520 1.00 0.76 O ATOM 175 CB ASN A 13 -6.911 -11.637 -8.705 1.00 0.95 C ATOM 176 CG ASN A 13 -7.630 -12.498 -9.730 1.00 1.41 C ATOM 177 OD1 ASN A 13 -7.074 -12.826 -10.779 1.00 2.14 O ATOM 178 ND2 ASN A 13 -8.866 -12.875 -9.446 1.00 1.63 N ATOM 0 H ASN A 13 -7.944 -12.517 -6.617 1.00 0.77 H new ATOM 0 HA ASN A 13 -5.745 -13.349 -8.172 1.00 0.81 H new ATOM 0 HB2 ASN A 13 -7.640 -11.013 -8.188 1.00 0.95 H new ATOM 0 HB3 ASN A 13 -6.224 -10.965 -9.220 1.00 0.95 H new ATOM 0 HD21 ASN A 13 -9.387 -13.454 -10.105 1.00 1.63 H new ATOM 0 HD22 ASN A 13 -9.298 -12.586 -8.568 1.00 1.63 H new ATOM 185 N ALA A 14 -5.264 -10.736 -6.210 1.00 0.69 N ATOM 186 CA ALA A 14 -4.235 -9.925 -5.573 1.00 0.66 C ATOM 187 C ALA A 14 -3.288 -10.805 -4.761 1.00 0.59 C ATOM 188 O ALA A 14 -2.069 -10.628 -4.814 1.00 0.61 O ATOM 189 CB ALA A 14 -4.863 -8.856 -4.691 1.00 0.68 C ATOM 0 H ALA A 14 -6.213 -10.541 -5.890 1.00 0.69 H new ATOM 0 HA ALA A 14 -3.658 -9.427 -6.353 1.00 0.66 H new ATOM 0 HB1 ALA A 14 -4.077 -8.261 -4.225 1.00 0.68 H new ATOM 0 HB2 ALA A 14 -5.496 -8.209 -5.298 1.00 0.68 H new ATOM 0 HB3 ALA A 14 -5.466 -9.331 -3.917 1.00 0.68 H new ATOM 195 N ILE A 15 -3.862 -11.764 -4.032 1.00 0.59 N ATOM 196 CA ILE A 15 -3.080 -12.723 -3.251 1.00 0.60 C ATOM 197 C ILE A 15 -2.045 -13.416 -4.132 1.00 0.59 C ATOM 198 O ILE A 15 -0.865 -13.484 -3.789 1.00 0.59 O ATOM 199 CB ILE A 15 -3.983 -13.799 -2.600 1.00 0.72 C ATOM 200 CG1 ILE A 15 -5.010 -13.147 -1.669 1.00 0.87 C ATOM 201 CG2 ILE A 15 -3.140 -14.815 -1.837 1.00 0.77 C ATOM 202 CD1 ILE A 15 -5.963 -14.131 -1.028 1.00 1.80 C ATOM 0 H ILE A 15 -4.871 -11.897 -3.967 1.00 0.59 H new ATOM 0 HA ILE A 15 -2.579 -12.160 -2.463 1.00 0.60 H new ATOM 0 HB ILE A 15 -4.519 -14.322 -3.392 1.00 0.72 H new ATOM 0 HG12 ILE A 15 -4.483 -12.603 -0.885 1.00 0.87 H new ATOM 0 HG13 ILE A 15 -5.585 -12.414 -2.234 1.00 0.87 H new ATOM 0 HG21 ILE A 15 -3.792 -15.563 -1.386 1.00 0.77 H new ATOM 0 HG22 ILE A 15 -2.448 -15.303 -2.524 1.00 0.77 H new ATOM 0 HG23 ILE A 15 -2.577 -14.306 -1.055 1.00 0.77 H new ATOM 0 HD11 ILE A 15 -6.660 -13.595 -0.383 1.00 1.80 H new ATOM 0 HD12 ILE A 15 -6.518 -14.658 -1.804 1.00 1.80 H new ATOM 0 HD13 ILE A 15 -5.399 -14.850 -0.434 1.00 1.80 H new ATOM 214 N SER A 16 -2.501 -13.900 -5.281 1.00 0.64 N ATOM 215 CA SER A 16 -1.646 -14.624 -6.212 1.00 0.70 C ATOM 216 C SER A 16 -0.458 -13.767 -6.657 1.00 0.69 C ATOM 217 O SER A 16 0.673 -14.248 -6.728 1.00 0.79 O ATOM 218 CB SER A 16 -2.463 -15.060 -7.432 1.00 0.81 C ATOM 219 OG SER A 16 -3.599 -15.826 -7.046 1.00 1.28 O ATOM 0 H SER A 16 -3.468 -13.802 -5.592 1.00 0.64 H new ATOM 0 HA SER A 16 -1.254 -15.504 -5.702 1.00 0.70 H new ATOM 0 HB2 SER A 16 -2.787 -14.181 -7.989 1.00 0.81 H new ATOM 0 HB3 SER A 16 -1.835 -15.648 -8.102 1.00 0.81 H new ATOM 0 HG SER A 16 -4.256 -15.241 -6.614 1.00 1.28 H new ATOM 225 N GLU A 17 -0.718 -12.490 -6.930 1.00 0.68 N ATOM 226 CA GLU A 17 0.317 -11.587 -7.416 1.00 0.75 C ATOM 227 C GLU A 17 1.352 -11.286 -6.332 1.00 0.69 C ATOM 228 O GLU A 17 2.545 -11.524 -6.525 1.00 0.75 O ATOM 229 CB GLU A 17 -0.299 -10.278 -7.921 1.00 0.88 C ATOM 230 CG GLU A 17 -1.174 -10.447 -9.152 1.00 1.30 C ATOM 231 CD GLU A 17 -1.601 -9.118 -9.744 1.00 1.49 C ATOM 232 OE1 GLU A 17 -0.766 -8.454 -10.395 1.00 1.70 O ATOM 233 OE2 GLU A 17 -2.780 -8.739 -9.566 1.00 2.07 O ATOM 0 H GLU A 17 -1.637 -12.060 -6.822 1.00 0.68 H new ATOM 0 HA GLU A 17 0.822 -12.087 -8.243 1.00 0.75 H new ATOM 0 HB2 GLU A 17 -0.894 -9.835 -7.122 1.00 0.88 H new ATOM 0 HB3 GLU A 17 0.502 -9.575 -8.150 1.00 0.88 H new ATOM 0 HG2 GLU A 17 -0.631 -11.019 -9.904 1.00 1.30 H new ATOM 0 HG3 GLU A 17 -2.059 -11.026 -8.889 1.00 1.30 H new ATOM 240 N VAL A 18 0.893 -10.787 -5.191 1.00 0.64 N ATOM 241 CA VAL A 18 1.808 -10.349 -4.141 1.00 0.69 C ATOM 242 C VAL A 18 2.584 -11.513 -3.544 1.00 0.67 C ATOM 243 O VAL A 18 3.755 -11.369 -3.222 1.00 0.76 O ATOM 244 CB VAL A 18 1.095 -9.567 -3.016 1.00 0.75 C ATOM 245 CG1 VAL A 18 0.520 -8.275 -3.568 1.00 1.59 C ATOM 246 CG2 VAL A 18 0.004 -10.403 -2.361 1.00 1.43 C ATOM 0 H VAL A 18 -0.096 -10.676 -4.969 1.00 0.64 H new ATOM 0 HA VAL A 18 2.509 -9.671 -4.628 1.00 0.69 H new ATOM 0 HB VAL A 18 1.831 -9.330 -2.248 1.00 0.75 H new ATOM 0 HG11 VAL A 18 0.019 -7.729 -2.769 1.00 1.59 H new ATOM 0 HG12 VAL A 18 1.325 -7.663 -3.976 1.00 1.59 H new ATOM 0 HG13 VAL A 18 -0.197 -8.503 -4.356 1.00 1.59 H new ATOM 0 HG21 VAL A 18 -0.477 -9.822 -1.574 1.00 1.43 H new ATOM 0 HG22 VAL A 18 -0.737 -10.684 -3.109 1.00 1.43 H new ATOM 0 HG23 VAL A 18 0.444 -11.302 -1.930 1.00 1.43 H new ATOM 256 N MET A 19 1.946 -12.677 -3.437 1.00 0.65 N ATOM 257 CA MET A 19 2.608 -13.859 -2.888 1.00 0.75 C ATOM 258 C MET A 19 3.850 -14.205 -3.707 1.00 0.74 C ATOM 259 O MET A 19 4.879 -14.622 -3.164 1.00 0.78 O ATOM 260 CB MET A 19 1.640 -15.045 -2.864 1.00 0.89 C ATOM 261 CG MET A 19 2.230 -16.307 -2.256 1.00 1.25 C ATOM 262 SD MET A 19 1.027 -17.647 -2.145 1.00 2.00 S ATOM 263 CE MET A 19 0.588 -17.851 -3.870 1.00 2.13 C ATOM 0 H MET A 19 0.978 -12.827 -3.721 1.00 0.65 H new ATOM 0 HA MET A 19 2.918 -13.639 -1.866 1.00 0.75 H new ATOM 0 HB2 MET A 19 0.750 -14.764 -2.301 1.00 0.89 H new ATOM 0 HB3 MET A 19 1.318 -15.260 -3.883 1.00 0.89 H new ATOM 0 HG2 MET A 19 3.079 -16.634 -2.857 1.00 1.25 H new ATOM 0 HG3 MET A 19 2.612 -16.083 -1.260 1.00 1.25 H new ATOM 0 HE1 MET A 19 0.115 -18.823 -4.013 1.00 2.13 H new ATOM 0 HE2 MET A 19 -0.105 -17.063 -4.165 1.00 2.13 H new ATOM 0 HE3 MET A 19 1.487 -17.792 -4.484 1.00 2.13 H new ATOM 273 N SER A 20 3.751 -14.017 -5.017 1.00 0.75 N ATOM 274 CA SER A 20 4.872 -14.242 -5.909 1.00 0.82 C ATOM 275 C SER A 20 5.901 -13.124 -5.760 1.00 0.82 C ATOM 276 O SER A 20 7.102 -13.357 -5.863 1.00 0.90 O ATOM 277 CB SER A 20 4.380 -14.328 -7.351 1.00 0.91 C ATOM 278 OG SER A 20 3.408 -15.351 -7.493 1.00 1.63 O ATOM 0 H SER A 20 2.899 -13.707 -5.484 1.00 0.75 H new ATOM 0 HA SER A 20 5.350 -15.185 -5.645 1.00 0.82 H new ATOM 0 HB2 SER A 20 3.953 -13.371 -7.652 1.00 0.91 H new ATOM 0 HB3 SER A 20 5.221 -14.525 -8.016 1.00 0.91 H new ATOM 0 HG SER A 20 2.526 -15.001 -7.246 1.00 1.63 H new ATOM 284 N ALA A 21 5.420 -11.917 -5.491 1.00 0.78 N ATOM 285 CA ALA A 21 6.291 -10.761 -5.347 1.00 0.85 C ATOM 286 C ALA A 21 7.164 -10.875 -4.098 1.00 0.82 C ATOM 287 O ALA A 21 8.387 -10.731 -4.181 1.00 0.89 O ATOM 288 CB ALA A 21 5.469 -9.479 -5.313 1.00 0.93 C ATOM 0 H ALA A 21 4.428 -11.714 -5.368 1.00 0.78 H new ATOM 0 HA ALA A 21 6.953 -10.729 -6.212 1.00 0.85 H new ATOM 0 HB1 ALA A 21 6.135 -8.623 -5.205 1.00 0.93 H new ATOM 0 HB2 ALA A 21 4.904 -9.384 -6.240 1.00 0.93 H new ATOM 0 HB3 ALA A 21 4.779 -9.511 -4.469 1.00 0.93 H new ATOM 294 N THR A 22 6.539 -11.152 -2.952 1.00 0.78 N ATOM 295 CA THR A 22 7.254 -11.273 -1.687 1.00 0.83 C ATOM 296 C THR A 22 8.338 -12.344 -1.756 1.00 0.87 C ATOM 297 O THR A 22 9.399 -12.210 -1.152 1.00 0.94 O ATOM 298 CB THR A 22 6.290 -11.629 -0.544 1.00 0.89 C ATOM 299 OG1 THR A 22 4.982 -11.126 -0.830 1.00 1.42 O ATOM 300 CG2 THR A 22 6.777 -11.044 0.769 1.00 1.93 C ATOM 0 H THR A 22 5.532 -11.297 -2.878 1.00 0.78 H new ATOM 0 HA THR A 22 7.717 -10.305 -1.495 1.00 0.83 H new ATOM 0 HB THR A 22 6.252 -12.715 -0.456 1.00 0.89 H new ATOM 0 HG1 THR A 22 4.827 -10.307 -0.315 1.00 1.42 H new ATOM 0 HG21 THR A 22 6.081 -11.307 1.565 1.00 1.93 H new ATOM 0 HG22 THR A 22 7.763 -11.445 1.002 1.00 1.93 H new ATOM 0 HG23 THR A 22 6.837 -9.959 0.684 1.00 1.93 H new ATOM 308 N SER A 23 8.069 -13.407 -2.498 1.00 0.89 N ATOM 309 CA SER A 23 9.013 -14.504 -2.602 1.00 0.99 C ATOM 310 C SER A 23 10.079 -14.232 -3.664 1.00 1.01 C ATOM 311 O SER A 23 11.218 -14.680 -3.537 1.00 1.11 O ATOM 312 CB SER A 23 8.267 -15.807 -2.894 1.00 1.07 C ATOM 313 OG SER A 23 7.281 -15.622 -3.897 1.00 1.55 O ATOM 0 H SER A 23 7.210 -13.532 -3.033 1.00 0.89 H new ATOM 0 HA SER A 23 9.530 -14.600 -1.648 1.00 0.99 H new ATOM 0 HB2 SER A 23 8.976 -16.571 -3.214 1.00 1.07 H new ATOM 0 HB3 SER A 23 7.796 -16.172 -1.981 1.00 1.07 H new ATOM 0 HG SER A 23 6.433 -15.364 -3.479 1.00 1.55 H new ATOM 319 N ALA A 24 9.715 -13.483 -4.699 1.00 0.96 N ATOM 320 CA ALA A 24 10.642 -13.184 -5.783 1.00 1.03 C ATOM 321 C ALA A 24 11.666 -12.129 -5.374 1.00 1.01 C ATOM 322 O ALA A 24 12.850 -12.253 -5.685 1.00 1.10 O ATOM 323 CB ALA A 24 9.892 -12.729 -7.024 1.00 1.05 C ATOM 0 H ALA A 24 8.788 -13.073 -4.810 1.00 0.96 H new ATOM 0 HA ALA A 24 11.179 -14.104 -6.012 1.00 1.03 H new ATOM 0 HB1 ALA A 24 10.604 -12.511 -7.820 1.00 1.05 H new ATOM 0 HB2 ALA A 24 9.214 -13.518 -7.349 1.00 1.05 H new ATOM 0 HB3 ALA A 24 9.319 -11.831 -6.794 1.00 1.05 H new ATOM 329 N ILE A 25 11.212 -11.098 -4.662 1.00 0.93 N ATOM 330 CA ILE A 25 12.083 -9.985 -4.299 1.00 0.93 C ATOM 331 C ILE A 25 13.218 -10.441 -3.382 1.00 0.97 C ATOM 332 O ILE A 25 14.327 -9.902 -3.438 1.00 1.02 O ATOM 333 CB ILE A 25 11.296 -8.822 -3.644 1.00 0.89 C ATOM 334 CG1 ILE A 25 12.234 -7.642 -3.365 1.00 1.23 C ATOM 335 CG2 ILE A 25 10.605 -9.281 -2.365 1.00 1.11 C ATOM 336 CD1 ILE A 25 11.539 -6.420 -2.803 1.00 1.56 C ATOM 0 H ILE A 25 10.252 -11.012 -4.328 1.00 0.93 H new ATOM 0 HA ILE A 25 12.517 -9.613 -5.227 1.00 0.93 H new ATOM 0 HB ILE A 25 10.522 -8.495 -4.339 1.00 0.89 H new ATOM 0 HG12 ILE A 25 13.005 -7.962 -2.665 1.00 1.23 H new ATOM 0 HG13 ILE A 25 12.739 -7.366 -4.291 1.00 1.23 H new ATOM 0 HG21 ILE A 25 10.060 -8.445 -1.926 1.00 1.11 H new ATOM 0 HG22 ILE A 25 9.908 -10.087 -2.597 1.00 1.11 H new ATOM 0 HG23 ILE A 25 11.352 -9.640 -1.657 1.00 1.11 H new ATOM 0 HD11 ILE A 25 12.271 -5.631 -2.634 1.00 1.56 H new ATOM 0 HD12 ILE A 25 10.787 -6.071 -3.511 1.00 1.56 H new ATOM 0 HD13 ILE A 25 11.058 -6.677 -1.859 1.00 1.56 H new ATOM 348 N ASN A 26 12.954 -11.456 -2.563 1.00 0.98 N ATOM 349 CA ASN A 26 13.989 -12.038 -1.710 1.00 1.08 C ATOM 350 C ASN A 26 15.146 -12.544 -2.559 1.00 1.12 C ATOM 351 O ASN A 26 16.309 -12.346 -2.219 1.00 1.20 O ATOM 352 CB ASN A 26 13.451 -13.193 -0.864 1.00 1.15 C ATOM 353 CG ASN A 26 12.632 -12.744 0.331 1.00 1.48 C ATOM 354 OD1 ASN A 26 11.903 -11.756 0.275 1.00 1.96 O ATOM 355 ND2 ASN A 26 12.762 -13.466 1.434 1.00 2.02 N ATOM 0 H ASN A 26 12.036 -11.892 -2.471 1.00 0.98 H new ATOM 0 HA ASN A 26 14.331 -11.251 -1.038 1.00 1.08 H new ATOM 0 HB2 ASN A 26 12.836 -13.837 -1.493 1.00 1.15 H new ATOM 0 HB3 ASN A 26 14.289 -13.796 -0.513 1.00 1.15 H new ATOM 0 HD21 ASN A 26 12.247 -13.208 2.276 1.00 2.02 H new ATOM 0 HD22 ASN A 26 13.377 -14.280 1.441 1.00 2.02 H new ATOM 362 N GLY A 27 14.812 -13.180 -3.676 1.00 1.12 N ATOM 363 CA GLY A 27 15.827 -13.742 -4.546 1.00 1.20 C ATOM 364 C GLY A 27 16.493 -12.696 -5.418 1.00 1.23 C ATOM 365 O GLY A 27 17.543 -12.945 -6.005 1.00 1.36 O ATOM 0 H GLY A 27 13.853 -13.317 -3.995 1.00 1.12 H new ATOM 0 HA2 GLY A 27 16.584 -14.240 -3.940 1.00 1.20 H new ATOM 0 HA3 GLY A 27 15.375 -14.504 -5.181 1.00 1.20 H new ATOM 369 N LEU A 28 15.879 -11.525 -5.507 1.00 1.16 N ATOM 370 CA LEU A 28 16.440 -10.428 -6.283 1.00 1.22 C ATOM 371 C LEU A 28 17.569 -9.760 -5.511 1.00 1.28 C ATOM 372 O LEU A 28 18.537 -9.269 -6.095 1.00 1.42 O ATOM 373 CB LEU A 28 15.359 -9.396 -6.621 1.00 1.18 C ATOM 374 CG LEU A 28 14.173 -9.929 -7.428 1.00 1.39 C ATOM 375 CD1 LEU A 28 13.190 -8.810 -7.732 1.00 1.69 C ATOM 376 CD2 LEU A 28 14.653 -10.584 -8.713 1.00 1.81 C ATOM 0 H LEU A 28 14.992 -11.310 -5.051 1.00 1.16 H new ATOM 0 HA LEU A 28 16.836 -10.835 -7.213 1.00 1.22 H new ATOM 0 HB2 LEU A 28 14.982 -8.971 -5.691 1.00 1.18 H new ATOM 0 HB3 LEU A 28 15.820 -8.581 -7.179 1.00 1.18 H new ATOM 0 HG LEU A 28 13.661 -10.683 -6.830 1.00 1.39 H new ATOM 0 HD11 LEU A 28 12.353 -9.207 -8.306 1.00 1.69 H new ATOM 0 HD12 LEU A 28 12.821 -8.386 -6.798 1.00 1.69 H new ATOM 0 HD13 LEU A 28 13.691 -8.033 -8.310 1.00 1.69 H new ATOM 0 HD21 LEU A 28 13.796 -10.957 -9.274 1.00 1.81 H new ATOM 0 HD22 LEU A 28 15.190 -9.852 -9.316 1.00 1.81 H new ATOM 0 HD23 LEU A 28 15.318 -11.414 -8.472 1.00 1.81 H new ATOM 388 N TYR A 29 17.441 -9.755 -4.193 1.00 1.22 N ATOM 389 CA TYR A 29 18.422 -9.117 -3.326 1.00 1.31 C ATOM 390 C TYR A 29 19.326 -10.152 -2.661 1.00 1.58 C ATOM 391 O TYR A 29 20.544 -10.124 -2.838 1.00 2.30 O ATOM 392 CB TYR A 29 17.714 -8.284 -2.259 1.00 1.13 C ATOM 393 CG TYR A 29 17.152 -6.972 -2.756 1.00 0.94 C ATOM 394 CD1 TYR A 29 16.129 -6.934 -3.696 1.00 0.91 C ATOM 395 CD2 TYR A 29 17.633 -5.766 -2.264 1.00 0.90 C ATOM 396 CE1 TYR A 29 15.609 -5.734 -4.136 1.00 0.87 C ATOM 397 CE2 TYR A 29 17.121 -4.562 -2.695 1.00 0.84 C ATOM 398 CZ TYR A 29 16.105 -4.550 -3.631 1.00 0.85 C ATOM 399 OH TYR A 29 15.589 -3.352 -4.071 1.00 0.96 O ATOM 0 H TYR A 29 16.662 -10.188 -3.697 1.00 1.22 H new ATOM 0 HA TYR A 29 19.044 -8.466 -3.941 1.00 1.31 H new ATOM 0 HB2 TYR A 29 16.902 -8.875 -1.835 1.00 1.13 H new ATOM 0 HB3 TYR A 29 18.416 -8.081 -1.450 1.00 1.13 H new ATOM 0 HD1 TYR A 29 15.734 -7.859 -4.089 1.00 0.91 H new ATOM 0 HD2 TYR A 29 18.424 -5.772 -1.529 1.00 0.90 H new ATOM 0 HE1 TYR A 29 14.818 -5.722 -4.872 1.00 0.87 H new ATOM 0 HE2 TYR A 29 17.511 -3.634 -2.304 1.00 0.84 H new ATOM 0 HH TYR A 29 14.649 -3.473 -4.322 1.00 0.96 H new ATOM 409 N ILE A 30 18.713 -11.057 -1.902 1.00 1.25 N ATOM 410 CA ILE A 30 19.425 -12.121 -1.193 1.00 1.45 C ATOM 411 C ILE A 30 20.286 -11.582 -0.047 1.00 1.45 C ATOM 412 O ILE A 30 21.311 -10.933 -0.265 1.00 1.99 O ATOM 413 CB ILE A 30 20.300 -12.967 -2.148 1.00 1.67 C ATOM 414 CG1 ILE A 30 19.428 -13.614 -3.227 1.00 1.88 C ATOM 415 CG2 ILE A 30 21.062 -14.032 -1.371 1.00 1.89 C ATOM 416 CD1 ILE A 30 20.205 -14.444 -4.226 1.00 2.50 C ATOM 0 H ILE A 30 17.703 -11.074 -1.760 1.00 1.25 H new ATOM 0 HA ILE A 30 18.653 -12.762 -0.767 1.00 1.45 H new ATOM 0 HB ILE A 30 21.024 -12.311 -2.630 1.00 1.67 H new ATOM 0 HG12 ILE A 30 18.681 -14.246 -2.746 1.00 1.88 H new ATOM 0 HG13 ILE A 30 18.888 -12.832 -3.761 1.00 1.88 H new ATOM 0 HG21 ILE A 30 21.672 -14.617 -2.059 1.00 1.89 H new ATOM 0 HG22 ILE A 30 21.705 -13.553 -0.633 1.00 1.89 H new ATOM 0 HG23 ILE A 30 20.355 -14.689 -0.864 1.00 1.89 H new ATOM 0 HD11 ILE A 30 19.518 -14.869 -4.958 1.00 2.50 H new ATOM 0 HD12 ILE A 30 20.933 -13.813 -4.735 1.00 2.50 H new ATOM 0 HD13 ILE A 30 20.724 -15.249 -3.705 1.00 2.50 H new ATOM 428 N GLY A 31 19.851 -11.849 1.178 1.00 1.43 N ATOM 429 CA GLY A 31 20.645 -11.510 2.347 1.00 1.69 C ATOM 430 C GLY A 31 20.714 -10.019 2.607 1.00 1.52 C ATOM 431 O GLY A 31 21.800 -9.447 2.691 1.00 1.93 O ATOM 0 H GLY A 31 18.958 -12.297 1.385 1.00 1.43 H new ATOM 0 HA2 GLY A 31 20.224 -12.006 3.221 1.00 1.69 H new ATOM 0 HA3 GLY A 31 21.656 -11.897 2.217 1.00 1.69 H new ATOM 435 N GLN A 32 19.558 -9.383 2.727 1.00 1.16 N ATOM 436 CA GLN A 32 19.505 -7.955 3.010 1.00 1.10 C ATOM 437 C GLN A 32 18.880 -7.694 4.368 1.00 1.14 C ATOM 438 O GLN A 32 18.847 -6.552 4.829 1.00 1.93 O ATOM 439 CB GLN A 32 18.698 -7.233 1.941 1.00 1.09 C ATOM 440 CG GLN A 32 19.191 -7.497 0.538 1.00 1.38 C ATOM 441 CD GLN A 32 20.573 -6.928 0.275 1.00 2.15 C ATOM 442 OE1 GLN A 32 20.951 -5.898 0.831 1.00 2.74 O ATOM 443 NE2 GLN A 32 21.343 -7.604 -0.567 1.00 2.84 N ATOM 0 H GLN A 32 18.646 -9.831 2.633 1.00 1.16 H new ATOM 0 HA GLN A 32 20.528 -7.578 3.012 1.00 1.10 H new ATOM 0 HB2 GLN A 32 17.654 -7.539 2.015 1.00 1.09 H new ATOM 0 HB3 GLN A 32 18.730 -6.161 2.134 1.00 1.09 H new ATOM 0 HG2 GLN A 32 19.208 -8.573 0.362 1.00 1.38 H new ATOM 0 HG3 GLN A 32 18.487 -7.068 -0.175 1.00 1.38 H new ATOM 0 HE21 GLN A 32 20.993 -8.454 -1.008 1.00 2.84 H new ATOM 0 HE22 GLN A 32 22.286 -7.274 -0.774 1.00 2.84 H new ATOM 452 N THR A 33 18.352 -8.754 4.981 1.00 1.15 N ATOM 453 CA THR A 33 17.677 -8.663 6.271 1.00 1.20 C ATOM 454 C THR A 33 16.334 -7.945 6.143 1.00 1.09 C ATOM 455 O THR A 33 15.285 -8.501 6.471 1.00 1.21 O ATOM 456 CB THR A 33 18.563 -7.954 7.320 1.00 1.54 C ATOM 457 OG1 THR A 33 19.797 -8.670 7.468 1.00 1.91 O ATOM 458 CG2 THR A 33 17.862 -7.861 8.667 1.00 1.83 C ATOM 0 H THR A 33 18.381 -9.698 4.596 1.00 1.15 H new ATOM 0 HA THR A 33 17.492 -9.682 6.611 1.00 1.20 H new ATOM 0 HB THR A 33 18.759 -6.941 6.970 1.00 1.54 H new ATOM 0 HG1 THR A 33 20.359 -8.219 8.132 1.00 1.91 H new ATOM 0 HG21 THR A 33 18.513 -7.357 9.382 1.00 1.83 H new ATOM 0 HG22 THR A 33 16.937 -7.296 8.557 1.00 1.83 H new ATOM 0 HG23 THR A 33 17.634 -8.864 9.028 1.00 1.83 H new ATOM 466 N SER A 34 16.369 -6.712 5.666 1.00 1.12 N ATOM 467 CA SER A 34 15.165 -5.922 5.481 1.00 1.35 C ATOM 468 C SER A 34 15.373 -4.897 4.370 1.00 1.13 C ATOM 469 O SER A 34 14.735 -3.846 4.368 1.00 1.18 O ATOM 470 CB SER A 34 14.803 -5.216 6.792 1.00 1.82 C ATOM 471 OG SER A 34 14.642 -6.154 7.846 1.00 2.42 O ATOM 0 H SER A 34 17.229 -6.233 5.398 1.00 1.12 H new ATOM 0 HA SER A 34 14.346 -6.582 5.195 1.00 1.35 H new ATOM 0 HB2 SER A 34 15.584 -4.501 7.052 1.00 1.82 H new ATOM 0 HB3 SER A 34 13.882 -4.648 6.661 1.00 1.82 H new ATOM 0 HG SER A 34 14.799 -5.710 8.706 1.00 2.42 H new ATOM 477 N TYR A 35 16.266 -5.224 3.419 1.00 0.96 N ATOM 478 CA TYR A 35 16.592 -4.318 2.314 1.00 0.78 C ATOM 479 C TYR A 35 17.206 -3.037 2.867 1.00 0.74 C ATOM 480 O TYR A 35 17.116 -1.965 2.263 1.00 0.68 O ATOM 481 CB TYR A 35 15.336 -4.041 1.479 1.00 0.90 C ATOM 482 CG TYR A 35 14.635 -5.315 1.053 1.00 0.97 C ATOM 483 CD1 TYR A 35 15.244 -6.190 0.164 1.00 1.27 C ATOM 484 CD2 TYR A 35 13.382 -5.657 1.559 1.00 0.97 C ATOM 485 CE1 TYR A 35 14.634 -7.370 -0.208 1.00 1.37 C ATOM 486 CE2 TYR A 35 12.766 -6.835 1.184 1.00 1.12 C ATOM 487 CZ TYR A 35 13.397 -7.688 0.304 1.00 1.23 C ATOM 488 OH TYR A 35 12.795 -8.866 -0.057 1.00 1.41 O ATOM 0 H TYR A 35 16.772 -6.109 3.397 1.00 0.96 H new ATOM 0 HA TYR A 35 17.327 -4.781 1.656 1.00 0.78 H new ATOM 0 HB2 TYR A 35 14.647 -3.426 2.057 1.00 0.90 H new ATOM 0 HB3 TYR A 35 15.610 -3.467 0.594 1.00 0.90 H new ATOM 0 HD1 TYR A 35 16.213 -5.942 -0.244 1.00 1.27 H new ATOM 0 HD2 TYR A 35 12.887 -4.993 2.252 1.00 0.97 H new ATOM 0 HE1 TYR A 35 15.125 -8.041 -0.898 1.00 1.37 H new ATOM 0 HE2 TYR A 35 11.793 -7.087 1.579 1.00 1.12 H new ATOM 0 HH TYR A 35 11.927 -8.941 0.392 1.00 1.41 H new ATOM 498 N SER A 36 17.859 -3.192 4.020 1.00 0.89 N ATOM 499 CA SER A 36 18.524 -2.099 4.704 1.00 1.03 C ATOM 500 C SER A 36 19.542 -1.429 3.789 1.00 1.25 C ATOM 501 O SER A 36 20.345 -2.097 3.136 1.00 2.03 O ATOM 502 CB SER A 36 19.215 -2.629 5.962 1.00 1.37 C ATOM 503 OG SER A 36 18.296 -3.338 6.783 1.00 2.08 O ATOM 0 H SER A 36 17.938 -4.087 4.502 1.00 0.89 H new ATOM 0 HA SER A 36 17.779 -1.355 4.985 1.00 1.03 H new ATOM 0 HB2 SER A 36 20.039 -3.285 5.681 1.00 1.37 H new ATOM 0 HB3 SER A 36 19.645 -1.799 6.523 1.00 1.37 H new ATOM 0 HG SER A 36 18.759 -3.670 7.581 1.00 2.08 H new ATOM 509 N GLY A 37 19.489 -0.113 3.739 1.00 1.42 N ATOM 510 CA GLY A 37 20.335 0.630 2.839 1.00 1.83 C ATOM 511 C GLY A 37 19.505 1.469 1.902 1.00 1.52 C ATOM 512 O GLY A 37 19.798 2.643 1.677 1.00 1.88 O ATOM 0 H GLY A 37 18.869 0.459 4.312 1.00 1.42 H new ATOM 0 HA2 GLY A 37 21.008 1.270 3.409 1.00 1.83 H new ATOM 0 HA3 GLY A 37 20.958 -0.057 2.266 1.00 1.83 H new ATOM 516 N LEU A 38 18.442 0.870 1.375 1.00 0.95 N ATOM 517 CA LEU A 38 17.522 1.593 0.510 1.00 0.77 C ATOM 518 C LEU A 38 16.740 2.618 1.323 1.00 0.68 C ATOM 519 O LEU A 38 16.436 3.713 0.849 1.00 0.66 O ATOM 520 CB LEU A 38 16.537 0.638 -0.163 1.00 0.68 C ATOM 521 CG LEU A 38 17.147 -0.493 -0.985 1.00 0.87 C ATOM 522 CD1 LEU A 38 16.043 -1.293 -1.655 1.00 1.11 C ATOM 523 CD2 LEU A 38 18.120 0.053 -2.021 1.00 1.19 C ATOM 0 H LEU A 38 18.199 -0.108 1.531 1.00 0.95 H new ATOM 0 HA LEU A 38 18.109 2.095 -0.259 1.00 0.77 H new ATOM 0 HB2 LEU A 38 15.906 0.198 0.609 1.00 0.68 H new ATOM 0 HB3 LEU A 38 15.885 1.221 -0.814 1.00 0.68 H new ATOM 0 HG LEU A 38 17.705 -1.150 -0.318 1.00 0.87 H new ATOM 0 HD11 LEU A 38 16.483 -2.100 -2.241 1.00 1.11 H new ATOM 0 HD12 LEU A 38 15.386 -1.714 -0.894 1.00 1.11 H new ATOM 0 HD13 LEU A 38 15.467 -0.640 -2.311 1.00 1.11 H new ATOM 0 HD21 LEU A 38 18.542 -0.772 -2.594 1.00 1.19 H new ATOM 0 HD22 LEU A 38 17.593 0.730 -2.693 1.00 1.19 H new ATOM 0 HD23 LEU A 38 18.922 0.593 -1.518 1.00 1.19 H new ATOM 535 N ASP A 39 16.447 2.252 2.566 1.00 0.76 N ATOM 536 CA ASP A 39 15.603 3.051 3.449 1.00 0.85 C ATOM 537 C ASP A 39 16.215 4.420 3.720 1.00 0.82 C ATOM 538 O ASP A 39 15.564 5.449 3.526 1.00 0.90 O ATOM 539 CB ASP A 39 15.352 2.303 4.770 1.00 1.08 C ATOM 540 CG ASP A 39 16.630 1.926 5.507 1.00 1.59 C ATOM 541 OD1 ASP A 39 17.556 1.395 4.862 1.00 1.84 O ATOM 542 OD2 ASP A 39 16.710 2.160 6.730 1.00 2.42 O ATOM 0 H ASP A 39 16.789 1.390 2.992 1.00 0.76 H new ATOM 0 HA ASP A 39 14.649 3.209 2.945 1.00 0.85 H new ATOM 0 HB2 ASP A 39 14.738 2.926 5.420 1.00 1.08 H new ATOM 0 HB3 ASP A 39 14.781 1.398 4.563 1.00 1.08 H new ATOM 547 N SER A 40 17.467 4.432 4.146 1.00 0.82 N ATOM 548 CA SER A 40 18.164 5.674 4.423 1.00 0.94 C ATOM 549 C SER A 40 18.385 6.466 3.140 1.00 0.89 C ATOM 550 O SER A 40 18.241 7.690 3.117 1.00 1.00 O ATOM 551 CB SER A 40 19.497 5.380 5.108 1.00 1.13 C ATOM 552 OG SER A 40 20.218 4.381 4.408 1.00 1.71 O ATOM 0 H SER A 40 18.022 3.592 4.308 1.00 0.82 H new ATOM 0 HA SER A 40 17.550 6.278 5.091 1.00 0.94 H new ATOM 0 HB2 SER A 40 20.091 6.292 5.162 1.00 1.13 H new ATOM 0 HB3 SER A 40 19.319 5.054 6.133 1.00 1.13 H new ATOM 0 HG SER A 40 21.068 4.211 4.864 1.00 1.71 H new ATOM 558 N THR A 41 18.707 5.753 2.065 1.00 0.81 N ATOM 559 CA THR A 41 18.973 6.379 0.782 1.00 0.85 C ATOM 560 C THR A 41 17.742 7.120 0.256 1.00 0.79 C ATOM 561 O THR A 41 17.823 8.302 -0.046 1.00 0.95 O ATOM 562 CB THR A 41 19.446 5.340 -0.255 1.00 0.92 C ATOM 563 OG1 THR A 41 20.617 4.668 0.231 1.00 1.25 O ATOM 564 CG2 THR A 41 19.753 5.997 -1.597 1.00 1.38 C ATOM 0 H THR A 41 18.789 4.736 2.061 1.00 0.81 H new ATOM 0 HA THR A 41 19.771 7.106 0.937 1.00 0.85 H new ATOM 0 HB THR A 41 18.641 4.620 -0.404 1.00 0.92 H new ATOM 0 HG1 THR A 41 20.368 4.062 0.960 1.00 1.25 H new ATOM 0 HG21 THR A 41 20.084 5.238 -2.306 1.00 1.38 H new ATOM 0 HG22 THR A 41 18.855 6.483 -1.978 1.00 1.38 H new ATOM 0 HG23 THR A 41 20.540 6.740 -1.467 1.00 1.38 H new ATOM 572 N ILE A 42 16.603 6.433 0.174 1.00 0.67 N ATOM 573 CA ILE A 42 15.385 7.034 -0.377 1.00 0.67 C ATOM 574 C ILE A 42 14.951 8.262 0.431 1.00 0.64 C ATOM 575 O ILE A 42 14.510 9.266 -0.139 1.00 0.68 O ATOM 576 CB ILE A 42 14.222 6.014 -0.433 1.00 0.73 C ATOM 577 CG1 ILE A 42 14.574 4.845 -1.361 1.00 0.82 C ATOM 578 CG2 ILE A 42 12.929 6.679 -0.892 1.00 0.78 C ATOM 579 CD1 ILE A 42 14.889 5.259 -2.784 1.00 0.87 C ATOM 0 H ILE A 42 16.496 5.466 0.480 1.00 0.67 H new ATOM 0 HA ILE A 42 15.624 7.348 -1.393 1.00 0.67 H new ATOM 0 HB ILE A 42 14.068 5.628 0.575 1.00 0.73 H new ATOM 0 HG12 ILE A 42 15.433 4.314 -0.950 1.00 0.82 H new ATOM 0 HG13 ILE A 42 13.741 4.142 -1.374 1.00 0.82 H new ATOM 0 HG21 ILE A 42 12.130 5.939 -0.922 1.00 0.78 H new ATOM 0 HG22 ILE A 42 12.662 7.474 -0.196 1.00 0.78 H new ATOM 0 HG23 ILE A 42 13.070 7.101 -1.887 1.00 0.78 H new ATOM 0 HD11 ILE A 42 15.128 4.375 -3.376 1.00 0.87 H new ATOM 0 HD12 ILE A 42 14.024 5.763 -3.216 1.00 0.87 H new ATOM 0 HD13 ILE A 42 15.742 5.937 -2.785 1.00 0.87 H new ATOM 591 N LEU A 43 15.104 8.176 1.749 1.00 0.64 N ATOM 592 CA LEU A 43 14.720 9.260 2.650 1.00 0.70 C ATOM 593 C LEU A 43 15.447 10.559 2.297 1.00 0.75 C ATOM 594 O LEU A 43 14.816 11.560 1.953 1.00 0.75 O ATOM 595 CB LEU A 43 15.022 8.863 4.097 1.00 0.85 C ATOM 596 CG LEU A 43 14.644 9.900 5.156 1.00 1.07 C ATOM 597 CD1 LEU A 43 13.135 10.102 5.190 1.00 1.20 C ATOM 598 CD2 LEU A 43 15.161 9.473 6.521 1.00 1.43 C ATOM 0 H LEU A 43 15.494 7.360 2.221 1.00 0.64 H new ATOM 0 HA LEU A 43 13.650 9.434 2.538 1.00 0.70 H new ATOM 0 HB2 LEU A 43 14.496 7.935 4.318 1.00 0.85 H new ATOM 0 HB3 LEU A 43 16.088 8.653 4.183 1.00 0.85 H new ATOM 0 HG LEU A 43 15.109 10.851 4.894 1.00 1.07 H new ATOM 0 HD11 LEU A 43 12.884 10.843 5.949 1.00 1.20 H new ATOM 0 HD12 LEU A 43 12.792 10.450 4.216 1.00 1.20 H new ATOM 0 HD13 LEU A 43 12.647 9.157 5.430 1.00 1.20 H new ATOM 0 HD21 LEU A 43 14.885 10.220 7.265 1.00 1.43 H new ATOM 0 HD22 LEU A 43 14.723 8.512 6.792 1.00 1.43 H new ATOM 0 HD23 LEU A 43 16.246 9.380 6.486 1.00 1.43 H new ATOM 610 N LEU A 44 16.775 10.536 2.362 1.00 0.85 N ATOM 611 CA LEU A 44 17.567 11.736 2.101 1.00 0.98 C ATOM 612 C LEU A 44 17.626 12.055 0.608 1.00 0.92 C ATOM 613 O LEU A 44 17.949 13.176 0.217 1.00 1.03 O ATOM 614 CB LEU A 44 18.977 11.604 2.702 1.00 1.19 C ATOM 615 CG LEU A 44 19.713 10.277 2.452 1.00 1.33 C ATOM 616 CD1 LEU A 44 20.255 10.198 1.032 1.00 1.54 C ATOM 617 CD2 LEU A 44 20.841 10.107 3.459 1.00 1.66 C ATOM 0 H LEU A 44 17.323 9.707 2.591 1.00 0.85 H new ATOM 0 HA LEU A 44 17.071 12.574 2.591 1.00 0.98 H new ATOM 0 HB2 LEU A 44 19.592 12.413 2.308 1.00 1.19 H new ATOM 0 HB3 LEU A 44 18.903 11.755 3.779 1.00 1.19 H new ATOM 0 HG LEU A 44 18.995 9.466 2.578 1.00 1.33 H new ATOM 0 HD11 LEU A 44 20.769 9.247 0.891 1.00 1.54 H new ATOM 0 HD12 LEU A 44 19.430 10.273 0.323 1.00 1.54 H new ATOM 0 HD13 LEU A 44 20.954 11.017 0.863 1.00 1.54 H new ATOM 0 HD21 LEU A 44 21.356 9.164 3.273 1.00 1.66 H new ATOM 0 HD22 LEU A 44 21.547 10.932 3.358 1.00 1.66 H new ATOM 0 HD23 LEU A 44 20.430 10.103 4.469 1.00 1.66 H new ATOM 629 N ASN A 45 17.302 11.068 -0.216 1.00 0.84 N ATOM 630 CA ASN A 45 17.280 11.248 -1.664 1.00 0.91 C ATOM 631 C ASN A 45 16.160 12.186 -2.075 1.00 0.88 C ATOM 632 O ASN A 45 16.341 13.063 -2.926 1.00 1.02 O ATOM 633 CB ASN A 45 17.076 9.904 -2.362 1.00 1.01 C ATOM 634 CG ASN A 45 17.074 10.010 -3.874 1.00 1.17 C ATOM 635 OD1 ASN A 45 17.767 10.843 -4.454 1.00 1.88 O ATOM 636 ND2 ASN A 45 16.289 9.163 -4.524 1.00 1.32 N ATOM 0 H ASN A 45 17.049 10.130 0.094 1.00 0.84 H new ATOM 0 HA ASN A 45 18.237 11.678 -1.960 1.00 0.91 H new ATOM 0 HB2 ASN A 45 17.865 9.218 -2.053 1.00 1.01 H new ATOM 0 HB3 ASN A 45 16.131 9.471 -2.033 1.00 1.01 H new ATOM 0 HD21 ASN A 45 16.245 9.188 -5.543 1.00 1.32 H new ATOM 0 HD22 ASN A 45 15.729 8.486 -4.006 1.00 1.32 H new ATOM 643 N THR A 46 14.997 12.004 -1.471 1.00 0.79 N ATOM 644 CA THR A 46 13.826 12.751 -1.875 1.00 0.85 C ATOM 645 C THR A 46 13.546 13.895 -0.916 1.00 0.79 C ATOM 646 O THR A 46 12.903 13.699 0.113 1.00 0.68 O ATOM 647 CB THR A 46 12.594 11.832 -1.941 1.00 0.93 C ATOM 648 OG1 THR A 46 12.975 10.542 -2.440 1.00 1.15 O ATOM 649 CG2 THR A 46 11.519 12.430 -2.841 1.00 1.12 C ATOM 0 H THR A 46 14.843 11.349 -0.704 1.00 0.79 H new ATOM 0 HA THR A 46 14.026 13.162 -2.864 1.00 0.85 H new ATOM 0 HB THR A 46 12.188 11.730 -0.935 1.00 0.93 H new ATOM 0 HG1 THR A 46 13.425 10.037 -1.731 1.00 1.15 H new ATOM 0 HG21 THR A 46 10.658 11.763 -2.872 1.00 1.12 H new ATOM 0 HG22 THR A 46 11.213 13.399 -2.447 1.00 1.12 H new ATOM 0 HG23 THR A 46 11.917 12.556 -3.848 1.00 1.12 H new ATOM 657 N SER A 47 14.054 15.080 -1.273 1.00 0.97 N ATOM 658 CA SER A 47 13.779 16.344 -0.570 1.00 1.13 C ATOM 659 C SER A 47 13.868 16.234 0.960 1.00 1.06 C ATOM 660 O SER A 47 13.257 17.037 1.672 1.00 1.32 O ATOM 661 CB SER A 47 12.405 16.887 -0.996 1.00 1.29 C ATOM 662 OG SER A 47 11.395 15.887 -0.952 1.00 1.87 O ATOM 0 H SER A 47 14.679 15.192 -2.072 1.00 0.97 H new ATOM 0 HA SER A 47 14.564 17.042 -0.862 1.00 1.13 H new ATOM 0 HB2 SER A 47 12.124 17.713 -0.343 1.00 1.29 H new ATOM 0 HB3 SER A 47 12.472 17.289 -2.007 1.00 1.29 H new ATOM 0 HG SER A 47 11.116 15.744 -0.023 1.00 1.87 H new ATOM 668 N ALA A 48 14.653 15.262 1.455 1.00 0.92 N ATOM 669 CA ALA A 48 14.769 14.968 2.892 1.00 0.97 C ATOM 670 C ALA A 48 13.466 14.378 3.446 1.00 0.88 C ATOM 671 O ALA A 48 13.485 13.476 4.281 1.00 1.00 O ATOM 672 CB ALA A 48 15.189 16.198 3.685 1.00 1.22 C ATOM 0 H ALA A 48 15.226 14.657 0.867 1.00 0.92 H new ATOM 0 HA ALA A 48 15.553 14.219 3.006 1.00 0.97 H new ATOM 0 HB1 ALA A 48 15.264 15.941 4.742 1.00 1.22 H new ATOM 0 HB2 ALA A 48 16.157 16.549 3.327 1.00 1.22 H new ATOM 0 HB3 ALA A 48 14.447 16.986 3.555 1.00 1.22 H new ATOM 678 N ILE A 49 12.347 14.908 2.982 1.00 0.78 N ATOM 679 CA ILE A 49 11.036 14.370 3.295 1.00 0.75 C ATOM 680 C ILE A 49 10.374 13.939 1.995 1.00 0.62 C ATOM 681 O ILE A 49 9.909 14.782 1.225 1.00 0.65 O ATOM 682 CB ILE A 49 10.134 15.409 3.999 1.00 0.86 C ATOM 683 CG1 ILE A 49 10.850 15.999 5.217 1.00 1.17 C ATOM 684 CG2 ILE A 49 8.814 14.768 4.414 1.00 0.95 C ATOM 685 CD1 ILE A 49 10.083 17.112 5.896 1.00 1.93 C ATOM 0 H ILE A 49 12.323 15.727 2.375 1.00 0.78 H new ATOM 0 HA ILE A 49 11.164 13.529 3.976 1.00 0.75 H new ATOM 0 HB ILE A 49 9.922 16.217 3.299 1.00 0.86 H new ATOM 0 HG12 ILE A 49 11.034 15.204 5.939 1.00 1.17 H new ATOM 0 HG13 ILE A 49 11.823 16.378 4.906 1.00 1.17 H new ATOM 0 HG21 ILE A 49 8.188 15.511 4.909 1.00 0.95 H new ATOM 0 HG22 ILE A 49 8.299 14.390 3.531 1.00 0.95 H new ATOM 0 HG23 ILE A 49 9.010 13.944 5.100 1.00 0.95 H new ATOM 0 HD11 ILE A 49 10.653 17.479 6.749 1.00 1.93 H new ATOM 0 HD12 ILE A 49 9.922 17.926 5.190 1.00 1.93 H new ATOM 0 HD13 ILE A 49 9.120 16.734 6.239 1.00 1.93 H new ATOM 697 N PRO A 50 10.366 12.631 1.711 1.00 0.57 N ATOM 698 CA PRO A 50 9.852 12.103 0.448 1.00 0.52 C ATOM 699 C PRO A 50 8.361 12.362 0.263 1.00 0.53 C ATOM 700 O PRO A 50 7.514 11.647 0.801 1.00 0.53 O ATOM 701 CB PRO A 50 10.142 10.598 0.526 1.00 0.54 C ATOM 702 CG PRO A 50 11.141 10.449 1.624 1.00 0.66 C ATOM 703 CD PRO A 50 10.867 11.565 2.586 1.00 0.68 C ATOM 0 HA PRO A 50 10.324 12.588 -0.407 1.00 0.52 H new ATOM 0 HB2 PRO A 50 9.235 10.033 0.739 1.00 0.54 H new ATOM 0 HB3 PRO A 50 10.536 10.223 -0.419 1.00 0.54 H new ATOM 0 HG2 PRO A 50 11.042 9.480 2.113 1.00 0.66 H new ATOM 0 HG3 PRO A 50 12.158 10.509 1.237 1.00 0.66 H new ATOM 0 HD2 PRO A 50 10.131 11.280 3.338 1.00 0.68 H new ATOM 0 HD3 PRO A 50 11.767 11.869 3.120 1.00 0.68 H new ATOM 711 N ASP A 51 8.051 13.401 -0.505 1.00 0.59 N ATOM 712 CA ASP A 51 6.668 13.739 -0.843 1.00 0.63 C ATOM 713 C ASP A 51 6.069 12.694 -1.768 1.00 0.52 C ATOM 714 O ASP A 51 4.870 12.688 -2.017 1.00 0.54 O ATOM 715 CB ASP A 51 6.576 15.116 -1.506 1.00 0.84 C ATOM 716 CG ASP A 51 6.749 16.250 -0.523 1.00 1.30 C ATOM 717 OD1 ASP A 51 5.926 16.369 0.410 1.00 1.86 O ATOM 718 OD2 ASP A 51 7.713 17.030 -0.677 1.00 2.04 O ATOM 0 H ASP A 51 8.744 14.030 -0.910 1.00 0.59 H new ATOM 0 HA ASP A 51 6.104 13.762 0.089 1.00 0.63 H new ATOM 0 HB2 ASP A 51 7.339 15.193 -2.281 1.00 0.84 H new ATOM 0 HB3 ASP A 51 5.609 15.213 -2.000 1.00 0.84 H new ATOM 723 N ASN A 52 6.916 11.808 -2.270 1.00 0.47 N ATOM 724 CA ASN A 52 6.500 10.796 -3.228 1.00 0.49 C ATOM 725 C ASN A 52 5.550 9.792 -2.575 1.00 0.43 C ATOM 726 O ASN A 52 4.828 9.084 -3.263 1.00 0.56 O ATOM 727 CB ASN A 52 7.731 10.090 -3.805 1.00 0.59 C ATOM 728 CG ASN A 52 7.419 9.305 -5.064 1.00 1.32 C ATOM 729 OD1 ASN A 52 6.463 9.601 -5.774 1.00 2.22 O ATOM 730 ND2 ASN A 52 8.242 8.316 -5.364 1.00 1.84 N ATOM 0 H ASN A 52 7.906 11.770 -2.026 1.00 0.47 H new ATOM 0 HA ASN A 52 5.962 11.281 -4.043 1.00 0.49 H new ATOM 0 HB2 ASN A 52 8.500 10.831 -4.025 1.00 0.59 H new ATOM 0 HB3 ASN A 52 8.143 9.416 -3.054 1.00 0.59 H new ATOM 0 HD21 ASN A 52 8.093 7.768 -6.211 1.00 1.84 H new ATOM 0 HD22 ASN A 52 9.026 8.100 -4.748 1.00 1.84 H new ATOM 737 N TYR A 53 5.534 9.781 -1.237 1.00 0.39 N ATOM 738 CA TYR A 53 4.625 8.938 -0.436 1.00 0.52 C ATOM 739 C TYR A 53 3.185 9.444 -0.527 1.00 0.56 C ATOM 740 O TYR A 53 2.316 9.031 0.239 1.00 0.83 O ATOM 741 CB TYR A 53 5.077 8.967 1.024 1.00 0.66 C ATOM 742 CG TYR A 53 6.488 8.470 1.250 1.00 0.63 C ATOM 743 CD1 TYR A 53 7.121 7.689 0.296 1.00 0.67 C ATOM 744 CD2 TYR A 53 7.188 8.784 2.409 1.00 0.67 C ATOM 745 CE1 TYR A 53 8.406 7.231 0.487 1.00 0.73 C ATOM 746 CE2 TYR A 53 8.474 8.328 2.609 1.00 0.67 C ATOM 747 CZ TYR A 53 9.075 7.562 1.687 1.00 0.70 C ATOM 748 OH TYR A 53 10.357 7.092 1.838 1.00 0.79 O ATOM 0 H TYR A 53 6.155 10.360 -0.671 1.00 0.39 H new ATOM 0 HA TYR A 53 4.658 7.921 -0.826 1.00 0.52 H new ATOM 0 HB2 TYR A 53 5.001 9.989 1.395 1.00 0.66 H new ATOM 0 HB3 TYR A 53 4.392 8.361 1.616 1.00 0.66 H new ATOM 0 HD1 TYR A 53 6.597 7.435 -0.614 1.00 0.67 H new ATOM 0 HD2 TYR A 53 6.717 9.395 3.165 1.00 0.67 H new ATOM 0 HE1 TYR A 53 8.893 6.630 -0.266 1.00 0.73 H new ATOM 0 HE2 TYR A 53 9.001 8.590 3.515 1.00 0.67 H new ATOM 0 HH TYR A 53 10.423 6.584 2.673 1.00 0.79 H new ATOM 758 N LYS A 54 2.945 10.360 -1.451 1.00 0.46 N ATOM 759 CA LYS A 54 1.616 10.888 -1.691 1.00 0.49 C ATOM 760 C LYS A 54 1.559 11.534 -3.070 1.00 0.52 C ATOM 761 O LYS A 54 2.576 11.999 -3.588 1.00 0.72 O ATOM 762 CB LYS A 54 1.242 11.915 -0.615 1.00 0.61 C ATOM 763 CG LYS A 54 2.227 13.069 -0.489 1.00 0.85 C ATOM 764 CD LYS A 54 1.790 14.069 0.570 1.00 1.15 C ATOM 765 CE LYS A 54 2.812 15.183 0.750 1.00 1.15 C ATOM 766 NZ LYS A 54 4.092 14.689 1.326 1.00 1.75 N ATOM 0 H LYS A 54 3.666 10.757 -2.054 1.00 0.46 H new ATOM 0 HA LYS A 54 0.901 10.067 -1.648 1.00 0.49 H new ATOM 0 HB2 LYS A 54 0.254 12.317 -0.840 1.00 0.61 H new ATOM 0 HB3 LYS A 54 1.168 11.407 0.347 1.00 0.61 H new ATOM 0 HG2 LYS A 54 3.213 12.680 -0.237 1.00 0.85 H new ATOM 0 HG3 LYS A 54 2.320 13.574 -1.450 1.00 0.85 H new ATOM 0 HD2 LYS A 54 0.829 14.499 0.289 1.00 1.15 H new ATOM 0 HD3 LYS A 54 1.643 13.553 1.519 1.00 1.15 H new ATOM 0 HE2 LYS A 54 3.008 15.653 -0.214 1.00 1.15 H new ATOM 0 HE3 LYS A 54 2.396 15.952 1.401 1.00 1.15 H new ATOM 0 HZ1 LYS A 54 4.887 15.211 0.905 1.00 1.75 H new ATOM 0 HZ2 LYS A 54 4.089 14.835 2.356 1.00 1.75 H new ATOM 0 HZ3 LYS A 54 4.196 13.675 1.121 1.00 1.75 H new ATOM 780 N ASP A 55 0.386 11.535 -3.676 1.00 0.48 N ATOM 781 CA ASP A 55 0.187 12.221 -4.938 1.00 0.51 C ATOM 782 C ASP A 55 -0.648 13.474 -4.683 1.00 0.60 C ATOM 783 O ASP A 55 -1.204 13.637 -3.597 1.00 0.72 O ATOM 784 CB ASP A 55 -0.491 11.294 -5.958 1.00 0.49 C ATOM 785 CG ASP A 55 -1.969 11.548 -6.098 1.00 0.90 C ATOM 786 OD1 ASP A 55 -2.713 11.228 -5.146 1.00 1.29 O ATOM 787 OD2 ASP A 55 -2.388 12.084 -7.132 1.00 1.35 O ATOM 0 H ASP A 55 -0.445 11.067 -3.313 1.00 0.48 H new ATOM 0 HA ASP A 55 1.149 12.511 -5.360 1.00 0.51 H new ATOM 0 HB2 ASP A 55 -0.013 11.422 -6.929 1.00 0.49 H new ATOM 0 HB3 ASP A 55 -0.333 10.258 -5.659 1.00 0.49 H new ATOM 792 N THR A 56 -0.719 14.363 -5.658 1.00 0.67 N ATOM 793 CA THR A 56 -1.432 15.618 -5.476 1.00 0.78 C ATOM 794 C THR A 56 -2.628 15.739 -6.419 1.00 0.75 C ATOM 795 O THR A 56 -3.354 16.738 -6.389 1.00 0.78 O ATOM 796 CB THR A 56 -0.483 16.811 -5.688 1.00 0.98 C ATOM 797 OG1 THR A 56 0.277 16.619 -6.888 1.00 1.50 O ATOM 798 CG2 THR A 56 0.462 16.975 -4.504 1.00 1.52 C ATOM 0 H THR A 56 -0.296 14.242 -6.578 1.00 0.67 H new ATOM 0 HA THR A 56 -1.808 15.628 -4.453 1.00 0.78 H new ATOM 0 HB THR A 56 -1.085 17.715 -5.776 1.00 0.98 H new ATOM 0 HG1 THR A 56 0.878 17.381 -7.020 1.00 1.50 H new ATOM 0 HG21 THR A 56 1.121 17.825 -4.680 1.00 1.52 H new ATOM 0 HG22 THR A 56 -0.118 17.147 -3.597 1.00 1.52 H new ATOM 0 HG23 THR A 56 1.059 16.071 -4.387 1.00 1.52 H new ATOM 806 N THR A 57 -2.843 14.730 -7.251 1.00 0.76 N ATOM 807 CA THR A 57 -3.915 14.783 -8.230 1.00 0.79 C ATOM 808 C THR A 57 -5.147 14.021 -7.733 1.00 0.74 C ATOM 809 O THR A 57 -6.238 14.594 -7.642 1.00 1.04 O ATOM 810 CB THR A 57 -3.440 14.202 -9.576 1.00 0.89 C ATOM 811 OG1 THR A 57 -2.147 14.737 -9.892 1.00 1.00 O ATOM 812 CG2 THR A 57 -4.413 14.534 -10.698 1.00 1.05 C ATOM 0 H THR A 57 -2.293 13.871 -7.267 1.00 0.76 H new ATOM 0 HA THR A 57 -4.192 15.827 -8.373 1.00 0.79 H new ATOM 0 HB THR A 57 -3.388 13.117 -9.482 1.00 0.89 H new ATOM 0 HG1 THR A 57 -1.840 14.368 -10.747 1.00 1.00 H new ATOM 0 HG21 THR A 57 -4.048 14.110 -11.633 1.00 1.05 H new ATOM 0 HG22 THR A 57 -5.392 14.114 -10.467 1.00 1.05 H new ATOM 0 HG23 THR A 57 -4.497 15.616 -10.799 1.00 1.05 H new ATOM 820 N ASN A 58 -4.932 12.745 -7.379 1.00 0.65 N ATOM 821 CA ASN A 58 -5.981 11.836 -6.880 1.00 0.70 C ATOM 822 C ASN A 58 -5.565 10.372 -7.068 1.00 0.59 C ATOM 823 O ASN A 58 -6.394 9.470 -6.956 1.00 0.66 O ATOM 824 CB ASN A 58 -7.340 12.045 -7.583 1.00 0.95 C ATOM 825 CG ASN A 58 -7.333 11.675 -9.061 1.00 1.91 C ATOM 826 OD1 ASN A 58 -7.141 12.662 -9.918 1.00 2.73 O flip ATOM 827 ND2 ASN A 58 -7.545 10.520 -9.433 1.00 2.46 N flip ATOM 0 H ASN A 58 -4.012 12.307 -7.431 1.00 0.65 H new ATOM 0 HA ASN A 58 -6.099 12.070 -5.822 1.00 0.70 H new ATOM 0 HB2 ASN A 58 -8.097 11.450 -7.073 1.00 0.95 H new ATOM 0 HB3 ASN A 58 -7.634 13.090 -7.481 1.00 0.95 H new ATOM 0 HD21 ASN A 58 -7.689 9.781 -8.745 1.00 2.46 H new ATOM 0 HD22 ASN A 58 -7.576 10.303 -10.429 1.00 2.46 H new ATOM 834 N LYS A 59 -4.284 10.125 -7.342 1.00 0.52 N ATOM 835 CA LYS A 59 -3.852 8.779 -7.696 1.00 0.51 C ATOM 836 C LYS A 59 -2.415 8.443 -7.256 1.00 0.45 C ATOM 837 O LYS A 59 -1.462 8.595 -8.015 1.00 0.48 O ATOM 838 CB LYS A 59 -4.021 8.561 -9.211 1.00 0.58 C ATOM 839 CG LYS A 59 -3.912 9.833 -10.057 1.00 0.83 C ATOM 840 CD LYS A 59 -2.474 10.285 -10.264 1.00 0.64 C ATOM 841 CE LYS A 59 -1.684 9.282 -11.090 1.00 1.53 C ATOM 842 NZ LYS A 59 -2.253 9.105 -12.454 1.00 2.11 N ATOM 0 H LYS A 59 -3.543 10.826 -7.326 1.00 0.52 H new ATOM 0 HA LYS A 59 -4.493 8.093 -7.142 1.00 0.51 H new ATOM 0 HB2 LYS A 59 -3.266 7.851 -9.548 1.00 0.58 H new ATOM 0 HB3 LYS A 59 -4.993 8.103 -9.392 1.00 0.58 H new ATOM 0 HG2 LYS A 59 -4.376 9.659 -11.028 1.00 0.83 H new ATOM 0 HG3 LYS A 59 -4.473 10.633 -9.575 1.00 0.83 H new ATOM 0 HD2 LYS A 59 -2.465 11.254 -10.762 1.00 0.64 H new ATOM 0 HD3 LYS A 59 -1.992 10.420 -9.296 1.00 0.64 H new ATOM 0 HE2 LYS A 59 -0.649 9.615 -11.170 1.00 1.53 H new ATOM 0 HE3 LYS A 59 -1.671 8.321 -10.576 1.00 1.53 H new ATOM 0 HZ1 LYS A 59 -1.565 8.607 -13.055 1.00 2.11 H new ATOM 0 HZ2 LYS A 59 -3.129 8.547 -12.395 1.00 2.11 H new ATOM 0 HZ3 LYS A 59 -2.463 10.036 -12.866 1.00 2.11 H new ATOM 856 N LYS A 60 -2.274 7.979 -6.022 1.00 0.41 N ATOM 857 CA LYS A 60 -1.044 7.333 -5.560 1.00 0.38 C ATOM 858 C LYS A 60 -1.374 6.148 -4.657 1.00 0.38 C ATOM 859 O LYS A 60 -2.102 6.298 -3.676 1.00 0.41 O ATOM 860 CB LYS A 60 -0.159 8.311 -4.779 1.00 0.41 C ATOM 861 CG LYS A 60 1.161 7.710 -4.302 1.00 0.45 C ATOM 862 CD LYS A 60 2.264 7.849 -5.340 1.00 1.22 C ATOM 863 CE LYS A 60 2.651 9.305 -5.546 1.00 2.18 C ATOM 864 NZ LYS A 60 3.880 9.452 -6.365 1.00 3.14 N ATOM 0 H LYS A 60 -3.004 8.037 -5.312 1.00 0.41 H new ATOM 0 HA LYS A 60 -0.505 6.992 -6.444 1.00 0.38 H new ATOM 0 HB2 LYS A 60 0.054 9.175 -5.409 1.00 0.41 H new ATOM 0 HB3 LYS A 60 -0.714 8.676 -3.914 1.00 0.41 H new ATOM 0 HG2 LYS A 60 1.469 8.201 -3.379 1.00 0.45 H new ATOM 0 HG3 LYS A 60 1.015 6.655 -4.069 1.00 0.45 H new ATOM 0 HD2 LYS A 60 3.138 7.280 -5.023 1.00 1.22 H new ATOM 0 HD3 LYS A 60 1.931 7.422 -6.286 1.00 1.22 H new ATOM 0 HE2 LYS A 60 1.829 9.832 -6.031 1.00 2.18 H new ATOM 0 HE3 LYS A 60 2.805 9.778 -4.576 1.00 2.18 H new ATOM 0 HZ1 LYS A 60 3.809 10.312 -6.946 1.00 3.14 H new ATOM 0 HZ2 LYS A 60 4.708 9.524 -5.739 1.00 3.14 H new ATOM 0 HZ3 LYS A 60 3.986 8.623 -6.984 1.00 3.14 H new ATOM 878 N ILE A 61 -0.849 4.977 -4.994 1.00 0.37 N ATOM 879 CA ILE A 61 -0.973 3.804 -4.137 1.00 0.38 C ATOM 880 C ILE A 61 0.374 3.107 -3.994 1.00 0.38 C ATOM 881 O ILE A 61 1.093 2.911 -4.972 1.00 0.45 O ATOM 882 CB ILE A 61 -2.024 2.789 -4.656 1.00 0.45 C ATOM 883 CG1 ILE A 61 -1.696 2.316 -6.079 1.00 0.49 C ATOM 884 CG2 ILE A 61 -3.416 3.394 -4.599 1.00 0.47 C ATOM 885 CD1 ILE A 61 -2.729 1.371 -6.663 1.00 0.55 C ATOM 0 H ILE A 61 -0.331 4.814 -5.858 1.00 0.37 H new ATOM 0 HA ILE A 61 -1.314 4.164 -3.167 1.00 0.38 H new ATOM 0 HB ILE A 61 -1.995 1.915 -4.005 1.00 0.45 H new ATOM 0 HG12 ILE A 61 -1.604 3.186 -6.729 1.00 0.49 H new ATOM 0 HG13 ILE A 61 -0.726 1.820 -6.072 1.00 0.49 H new ATOM 0 HG21 ILE A 61 -4.143 2.670 -4.967 1.00 0.47 H new ATOM 0 HG22 ILE A 61 -3.656 3.658 -3.569 1.00 0.47 H new ATOM 0 HG23 ILE A 61 -3.450 4.289 -5.220 1.00 0.47 H new ATOM 0 HD11 ILE A 61 -2.428 1.080 -7.670 1.00 0.55 H new ATOM 0 HD12 ILE A 61 -2.805 0.482 -6.036 1.00 0.55 H new ATOM 0 HD13 ILE A 61 -3.697 1.870 -6.703 1.00 0.55 H new ATOM 897 N THR A 62 0.725 2.756 -2.772 1.00 0.39 N ATOM 898 CA THR A 62 1.975 2.065 -2.517 1.00 0.45 C ATOM 899 C THR A 62 1.746 0.564 -2.418 1.00 0.50 C ATOM 900 O THR A 62 1.034 0.108 -1.530 1.00 0.62 O ATOM 901 CB THR A 62 2.655 2.586 -1.239 1.00 0.56 C ATOM 902 OG1 THR A 62 2.978 3.965 -1.407 1.00 0.84 O ATOM 903 CG2 THR A 62 3.911 1.807 -0.915 1.00 0.84 C ATOM 0 H THR A 62 0.163 2.938 -1.940 1.00 0.39 H new ATOM 0 HA THR A 62 2.640 2.265 -3.357 1.00 0.45 H new ATOM 0 HB THR A 62 1.960 2.458 -0.409 1.00 0.56 H new ATOM 0 HG1 THR A 62 3.659 4.224 -0.751 1.00 0.84 H new ATOM 0 HG21 THR A 62 4.362 2.205 -0.006 1.00 0.84 H new ATOM 0 HG22 THR A 62 3.659 0.757 -0.765 1.00 0.84 H new ATOM 0 HG23 THR A 62 4.618 1.897 -1.740 1.00 0.84 H new ATOM 911 N ASN A 63 2.337 -0.168 -3.368 1.00 0.52 N ATOM 912 CA ASN A 63 2.246 -1.633 -3.455 1.00 0.61 C ATOM 913 C ASN A 63 2.605 -2.140 -4.860 1.00 0.76 C ATOM 914 O ASN A 63 3.439 -3.033 -4.994 1.00 1.31 O ATOM 915 CB ASN A 63 0.846 -2.156 -3.119 1.00 1.03 C ATOM 916 CG ASN A 63 0.763 -3.674 -3.168 1.00 1.80 C ATOM 917 OD1 ASN A 63 -0.246 -4.231 -3.582 1.00 2.50 O ATOM 918 ND2 ASN A 63 1.818 -4.352 -2.737 1.00 2.26 N ATOM 0 H ASN A 63 2.901 0.245 -4.111 1.00 0.52 H new ATOM 0 HA ASN A 63 2.959 -2.008 -2.721 1.00 0.61 H new ATOM 0 HB2 ASN A 63 0.562 -1.812 -2.124 1.00 1.03 H new ATOM 0 HB3 ASN A 63 0.126 -1.733 -3.820 1.00 1.03 H new ATOM 0 HD21 ASN A 63 1.806 -5.372 -2.743 1.00 2.26 H new ATOM 0 HD22 ASN A 63 2.641 -3.854 -2.399 1.00 2.26 H new ATOM 925 N PRO A 64 1.991 -1.581 -5.930 1.00 0.64 N ATOM 926 CA PRO A 64 2.032 -2.181 -7.257 1.00 0.97 C ATOM 927 C PRO A 64 3.271 -1.796 -8.061 1.00 1.15 C ATOM 928 O PRO A 64 4.040 -0.923 -7.662 1.00 1.75 O ATOM 929 CB PRO A 64 0.765 -1.637 -7.932 1.00 0.91 C ATOM 930 CG PRO A 64 0.283 -0.492 -7.091 1.00 0.85 C ATOM 931 CD PRO A 64 1.263 -0.308 -5.965 1.00 0.60 C ATOM 0 HA PRO A 64 2.077 -3.268 -7.198 1.00 0.97 H new ATOM 0 HB2 PRO A 64 0.980 -1.307 -8.948 1.00 0.91 H new ATOM 0 HB3 PRO A 64 0.002 -2.412 -8.004 1.00 0.91 H new ATOM 0 HG2 PRO A 64 0.211 0.417 -7.688 1.00 0.85 H new ATOM 0 HG3 PRO A 64 -0.714 -0.697 -6.701 1.00 0.85 H new ATOM 0 HD2 PRO A 64 1.933 0.532 -6.150 1.00 0.60 H new ATOM 0 HD3 PRO A 64 0.756 -0.110 -5.021 1.00 0.60 H new ATOM 939 N PHE A 65 3.444 -2.449 -9.207 1.00 1.16 N ATOM 940 CA PHE A 65 4.584 -2.189 -10.080 1.00 1.47 C ATOM 941 C PHE A 65 4.145 -2.093 -11.541 1.00 1.30 C ATOM 942 O PHE A 65 4.912 -2.395 -12.455 1.00 1.80 O ATOM 943 CB PHE A 65 5.651 -3.285 -9.905 1.00 2.09 C ATOM 944 CG PHE A 65 5.118 -4.695 -9.963 1.00 2.12 C ATOM 945 CD1 PHE A 65 4.969 -5.343 -11.181 1.00 2.65 C ATOM 946 CD2 PHE A 65 4.757 -5.369 -8.805 1.00 2.10 C ATOM 947 CE1 PHE A 65 4.480 -6.634 -11.240 1.00 3.23 C ATOM 948 CE2 PHE A 65 4.267 -6.659 -8.861 1.00 2.47 C ATOM 949 CZ PHE A 65 4.142 -7.298 -10.057 1.00 3.09 C ATOM 0 H PHE A 65 2.806 -3.165 -9.553 1.00 1.16 H new ATOM 0 HA PHE A 65 5.019 -1.230 -9.797 1.00 1.47 H new ATOM 0 HB2 PHE A 65 6.408 -3.164 -10.680 1.00 2.09 H new ATOM 0 HB3 PHE A 65 6.150 -3.138 -8.947 1.00 2.09 H new ATOM 0 HD1 PHE A 65 5.238 -4.832 -12.094 1.00 2.65 H new ATOM 0 HD2 PHE A 65 4.860 -4.879 -7.848 1.00 2.10 H new ATOM 0 HE1 PHE A 65 4.360 -7.127 -12.193 1.00 3.23 H new ATOM 0 HE2 PHE A 65 3.981 -7.164 -7.950 1.00 2.47 H new ATOM 0 HZ PHE A 65 3.782 -8.316 -10.092 1.00 3.09 H new ATOM 959 N GLY A 66 2.916 -1.632 -11.762 1.00 0.85 N ATOM 960 CA GLY A 66 2.380 -1.571 -13.111 1.00 0.86 C ATOM 961 C GLY A 66 2.466 -0.184 -13.713 1.00 0.86 C ATOM 962 O GLY A 66 2.156 0.019 -14.885 1.00 1.21 O ATOM 0 H GLY A 66 2.284 -1.301 -11.033 1.00 0.85 H new ATOM 0 HA2 GLY A 66 2.923 -2.272 -13.745 1.00 0.86 H new ATOM 0 HA3 GLY A 66 1.339 -1.893 -13.099 1.00 0.86 H new ATOM 966 N GLY A 67 2.876 0.774 -12.900 1.00 0.70 N ATOM 967 CA GLY A 67 3.009 2.141 -13.349 1.00 0.70 C ATOM 968 C GLY A 67 4.305 2.731 -12.854 1.00 0.65 C ATOM 969 O GLY A 67 5.332 2.053 -12.850 1.00 0.67 O ATOM 0 H GLY A 67 3.123 0.625 -11.922 1.00 0.70 H new ATOM 0 HA2 GLY A 67 2.977 2.178 -14.438 1.00 0.70 H new ATOM 0 HA3 GLY A 67 2.170 2.734 -12.985 1.00 0.70 H new ATOM 973 N GLU A 68 4.265 3.970 -12.396 1.00 0.63 N ATOM 974 CA GLU A 68 5.455 4.597 -11.856 1.00 0.64 C ATOM 975 C GLU A 68 5.578 4.282 -10.374 1.00 0.58 C ATOM 976 O GLU A 68 4.946 4.922 -9.533 1.00 0.59 O ATOM 977 CB GLU A 68 5.400 6.107 -12.072 1.00 0.73 C ATOM 978 CG GLU A 68 5.607 6.539 -13.517 1.00 1.36 C ATOM 979 CD GLU A 68 4.479 6.112 -14.437 1.00 1.84 C ATOM 980 OE1 GLU A 68 3.409 6.749 -14.404 1.00 2.78 O ATOM 981 OE2 GLU A 68 4.657 5.148 -15.207 1.00 1.99 O ATOM 0 H GLU A 68 3.430 4.556 -12.387 1.00 0.63 H new ATOM 0 HA GLU A 68 6.329 4.203 -12.375 1.00 0.64 H new ATOM 0 HB2 GLU A 68 4.434 6.477 -11.729 1.00 0.73 H new ATOM 0 HB3 GLU A 68 6.161 6.579 -11.451 1.00 0.73 H new ATOM 0 HG2 GLU A 68 5.706 7.624 -13.554 1.00 1.36 H new ATOM 0 HG3 GLU A 68 6.544 6.120 -13.884 1.00 1.36 H new ATOM 988 N LEU A 69 6.401 3.295 -10.076 1.00 0.57 N ATOM 989 CA LEU A 69 6.603 2.821 -8.710 1.00 0.57 C ATOM 990 C LEU A 69 7.872 3.399 -8.082 1.00 0.55 C ATOM 991 O LEU A 69 8.867 3.633 -8.770 1.00 0.60 O ATOM 992 CB LEU A 69 6.662 1.283 -8.670 1.00 0.69 C ATOM 993 CG LEU A 69 7.999 0.635 -9.077 1.00 0.83 C ATOM 994 CD1 LEU A 69 7.988 -0.844 -8.746 1.00 1.15 C ATOM 995 CD2 LEU A 69 8.295 0.827 -10.558 1.00 1.17 C ATOM 0 H LEU A 69 6.953 2.794 -10.773 1.00 0.57 H new ATOM 0 HA LEU A 69 5.750 3.167 -8.127 1.00 0.57 H new ATOM 0 HB2 LEU A 69 6.420 0.959 -7.658 1.00 0.69 H new ATOM 0 HB3 LEU A 69 5.882 0.895 -9.324 1.00 0.69 H new ATOM 0 HG LEU A 69 8.787 1.131 -8.510 1.00 0.83 H new ATOM 0 HD11 LEU A 69 8.939 -1.289 -9.039 1.00 1.15 H new ATOM 0 HD12 LEU A 69 7.840 -0.976 -7.674 1.00 1.15 H new ATOM 0 HD13 LEU A 69 7.177 -1.332 -9.287 1.00 1.15 H new ATOM 0 HD21 LEU A 69 9.247 0.355 -10.803 1.00 1.17 H new ATOM 0 HD22 LEU A 69 7.501 0.371 -11.150 1.00 1.17 H new ATOM 0 HD23 LEU A 69 8.350 1.892 -10.783 1.00 1.17 H new ATOM 1007 N ASN A 70 7.807 3.659 -6.781 1.00 0.52 N ATOM 1008 CA ASN A 70 8.978 4.053 -6.000 1.00 0.53 C ATOM 1009 C ASN A 70 9.431 2.879 -5.144 1.00 0.49 C ATOM 1010 O ASN A 70 8.639 2.328 -4.388 1.00 0.51 O ATOM 1011 CB ASN A 70 8.646 5.239 -5.090 1.00 0.59 C ATOM 1012 CG ASN A 70 9.842 5.708 -4.277 1.00 0.65 C ATOM 1013 OD1 ASN A 70 10.979 5.671 -4.745 1.00 0.92 O ATOM 1014 ND2 ASN A 70 9.592 6.151 -3.050 1.00 0.73 N ATOM 0 H ASN A 70 6.945 3.603 -6.238 1.00 0.52 H new ATOM 0 HA ASN A 70 9.772 4.347 -6.686 1.00 0.53 H new ATOM 0 HB2 ASN A 70 8.278 6.066 -5.697 1.00 0.59 H new ATOM 0 HB3 ASN A 70 7.840 4.957 -4.413 1.00 0.59 H new ATOM 0 HD21 ASN A 70 10.357 6.476 -2.459 1.00 0.73 H new ATOM 0 HD22 ASN A 70 8.635 6.166 -2.698 1.00 0.73 H new ATOM 1021 N VAL A 71 10.694 2.500 -5.256 1.00 0.51 N ATOM 1022 CA VAL A 71 11.198 1.323 -4.554 1.00 0.52 C ATOM 1023 C VAL A 71 11.751 1.684 -3.178 1.00 0.49 C ATOM 1024 O VAL A 71 12.408 2.713 -3.010 1.00 0.58 O ATOM 1025 CB VAL A 71 12.291 0.595 -5.368 1.00 0.68 C ATOM 1026 CG1 VAL A 71 11.703 -0.006 -6.635 1.00 0.97 C ATOM 1027 CG2 VAL A 71 13.438 1.536 -5.710 1.00 1.02 C ATOM 0 H VAL A 71 11.389 2.986 -5.823 1.00 0.51 H new ATOM 0 HA VAL A 71 10.348 0.652 -4.430 1.00 0.52 H new ATOM 0 HB VAL A 71 12.687 -0.212 -4.751 1.00 0.68 H new ATOM 0 HG11 VAL A 71 12.488 -0.514 -7.195 1.00 0.97 H new ATOM 0 HG12 VAL A 71 10.924 -0.721 -6.371 1.00 0.97 H new ATOM 0 HG13 VAL A 71 11.275 0.786 -7.249 1.00 0.97 H new ATOM 0 HG21 VAL A 71 14.192 0.997 -6.283 1.00 1.02 H new ATOM 0 HG22 VAL A 71 13.060 2.370 -6.302 1.00 1.02 H new ATOM 0 HG23 VAL A 71 13.883 1.916 -4.791 1.00 1.02 H new ATOM 1037 N GLY A 72 11.465 0.843 -2.195 1.00 0.44 N ATOM 1038 CA GLY A 72 12.004 1.047 -0.868 1.00 0.46 C ATOM 1039 C GLY A 72 11.604 -0.047 0.106 1.00 0.44 C ATOM 1040 O GLY A 72 10.642 -0.777 -0.136 1.00 0.48 O ATOM 0 H GLY A 72 10.868 0.022 -2.294 1.00 0.44 H new ATOM 0 HA2 GLY A 72 13.091 1.095 -0.926 1.00 0.46 H new ATOM 0 HA3 GLY A 72 11.662 2.009 -0.486 1.00 0.46 H new ATOM 1044 N PRO A 73 12.347 -0.190 1.215 1.00 0.53 N ATOM 1045 CA PRO A 73 12.063 -1.151 2.273 1.00 0.54 C ATOM 1046 C PRO A 73 11.384 -0.508 3.486 1.00 0.49 C ATOM 1047 O PRO A 73 11.514 0.698 3.716 1.00 0.59 O ATOM 1048 CB PRO A 73 13.469 -1.595 2.635 1.00 0.72 C ATOM 1049 CG PRO A 73 14.308 -0.363 2.478 1.00 1.00 C ATOM 1050 CD PRO A 73 13.572 0.555 1.523 1.00 0.76 C ATOM 0 HA PRO A 73 11.380 -1.944 1.966 1.00 0.54 H new ATOM 0 HB2 PRO A 73 13.514 -1.977 3.655 1.00 0.72 H new ATOM 0 HB3 PRO A 73 13.813 -2.395 1.979 1.00 0.72 H new ATOM 0 HG2 PRO A 73 14.461 0.125 3.441 1.00 1.00 H new ATOM 0 HG3 PRO A 73 15.294 -0.615 2.088 1.00 1.00 H new ATOM 0 HD2 PRO A 73 13.352 1.519 1.981 1.00 0.76 H new ATOM 0 HD3 PRO A 73 14.158 0.755 0.626 1.00 0.76 H new ATOM 1058 N ALA A 74 10.665 -1.302 4.265 1.00 0.51 N ATOM 1059 CA ALA A 74 9.996 -0.770 5.446 1.00 0.61 C ATOM 1060 C ALA A 74 10.512 -1.380 6.748 1.00 0.84 C ATOM 1061 O ALA A 74 10.013 -2.411 7.203 1.00 1.58 O ATOM 1062 CB ALA A 74 8.499 -0.961 5.337 1.00 0.86 C ATOM 0 H ALA A 74 10.530 -2.301 4.107 1.00 0.51 H new ATOM 0 HA ALA A 74 10.226 0.295 5.482 1.00 0.61 H new ATOM 0 HB1 ALA A 74 8.015 -0.558 6.227 1.00 0.86 H new ATOM 0 HB2 ALA A 74 8.129 -0.439 4.455 1.00 0.86 H new ATOM 0 HB3 ALA A 74 8.273 -2.024 5.251 1.00 0.86 H new ATOM 1068 N ASN A 75 11.519 -0.721 7.321 1.00 0.62 N ATOM 1069 CA ASN A 75 12.057 -1.029 8.655 1.00 0.74 C ATOM 1070 C ASN A 75 12.647 -2.438 8.752 1.00 0.76 C ATOM 1071 O ASN A 75 13.864 -2.615 8.699 1.00 0.85 O ATOM 1072 CB ASN A 75 10.979 -0.827 9.728 1.00 0.99 C ATOM 1073 CG ASN A 75 11.522 -0.957 11.140 1.00 1.38 C ATOM 1074 OD1 ASN A 75 12.697 -0.691 11.396 1.00 2.09 O ATOM 1075 ND2 ASN A 75 10.664 -1.351 12.069 1.00 1.58 N ATOM 0 H ASN A 75 11.996 0.057 6.866 1.00 0.62 H new ATOM 0 HA ASN A 75 12.877 -0.333 8.828 1.00 0.74 H new ATOM 0 HB2 ASN A 75 10.531 0.159 9.605 1.00 0.99 H new ATOM 0 HB3 ASN A 75 10.185 -1.559 9.580 1.00 0.99 H new ATOM 0 HD21 ASN A 75 10.968 -1.444 13.038 1.00 1.58 H new ATOM 0 HD22 ASN A 75 9.699 -1.562 11.815 1.00 1.58 H new ATOM 1082 N ASN A 76 11.780 -3.430 8.885 1.00 0.75 N ATOM 1083 CA ASN A 76 12.196 -4.813 9.105 1.00 0.82 C ATOM 1084 C ASN A 76 11.261 -5.767 8.389 1.00 0.77 C ATOM 1085 O ASN A 76 10.041 -5.636 8.497 1.00 0.81 O ATOM 1086 CB ASN A 76 12.235 -5.152 10.598 1.00 1.02 C ATOM 1087 CG ASN A 76 13.553 -4.785 11.251 1.00 1.32 C ATOM 1088 OD1 ASN A 76 14.649 -4.963 10.528 1.00 2.08 O flip ATOM 1089 ND2 ASN A 76 13.587 -4.373 12.409 1.00 1.38 N flip ATOM 0 H ASN A 76 10.769 -3.303 8.844 1.00 0.75 H new ATOM 0 HA ASN A 76 13.202 -4.923 8.701 1.00 0.82 H new ATOM 0 HB2 ASN A 76 11.425 -4.628 11.106 1.00 1.02 H new ATOM 0 HB3 ASN A 76 12.055 -6.219 10.728 1.00 1.02 H new ATOM 0 HD21 ASN A 76 12.720 -4.249 12.932 1.00 1.38 H new ATOM 0 HD22 ASN A 76 14.482 -4.155 12.847 1.00 1.38 H new ATOM 1096 N ASN A 77 11.844 -6.741 7.695 1.00 0.80 N ATOM 1097 CA ASN A 77 11.097 -7.631 6.805 1.00 0.86 C ATOM 1098 C ASN A 77 10.068 -8.476 7.556 1.00 0.95 C ATOM 1099 O ASN A 77 9.070 -8.911 6.977 1.00 1.05 O ATOM 1100 CB ASN A 77 12.052 -8.542 6.031 1.00 0.95 C ATOM 1101 CG ASN A 77 11.436 -9.039 4.733 1.00 1.40 C ATOM 1102 OD1 ASN A 77 11.525 -8.372 3.703 1.00 2.28 O ATOM 1103 ND2 ASN A 77 10.813 -10.207 4.766 1.00 1.72 N ATOM 0 H ASN A 77 12.844 -6.937 7.732 1.00 0.80 H new ATOM 0 HA ASN A 77 10.554 -6.995 6.106 1.00 0.86 H new ATOM 0 HB2 ASN A 77 12.972 -8.000 5.812 1.00 0.95 H new ATOM 0 HB3 ASN A 77 12.324 -9.395 6.653 1.00 0.95 H new ATOM 0 HD21 ASN A 77 10.387 -10.582 3.919 1.00 1.72 H new ATOM 0 HD22 ASN A 77 10.759 -10.732 5.639 1.00 1.72 H new ATOM 1110 N THR A 78 10.303 -8.696 8.842 1.00 1.02 N ATOM 1111 CA THR A 78 9.397 -9.494 9.657 1.00 1.22 C ATOM 1112 C THR A 78 8.167 -8.695 10.084 1.00 1.16 C ATOM 1113 O THR A 78 7.251 -9.231 10.704 1.00 1.41 O ATOM 1114 CB THR A 78 10.119 -10.047 10.896 1.00 1.44 C ATOM 1115 OG1 THR A 78 11.071 -9.085 11.376 1.00 1.95 O ATOM 1116 CG2 THR A 78 10.825 -11.352 10.569 1.00 1.88 C ATOM 0 H THR A 78 11.113 -8.333 9.344 1.00 1.02 H new ATOM 0 HA THR A 78 9.061 -10.328 9.040 1.00 1.22 H new ATOM 0 HB THR A 78 9.377 -10.240 11.671 1.00 1.44 H new ATOM 0 HG1 THR A 78 11.527 -9.442 12.167 1.00 1.95 H new ATOM 0 HG21 THR A 78 11.330 -11.726 11.460 1.00 1.88 H new ATOM 0 HG22 THR A 78 10.094 -12.086 10.231 1.00 1.88 H new ATOM 0 HG23 THR A 78 11.559 -11.181 9.781 1.00 1.88 H new ATOM 1124 N ALA A 79 8.151 -7.416 9.744 1.00 0.91 N ATOM 1125 CA ALA A 79 6.998 -6.569 9.996 1.00 0.86 C ATOM 1126 C ALA A 79 6.404 -6.123 8.668 1.00 0.73 C ATOM 1127 O ALA A 79 5.251 -6.413 8.348 1.00 0.77 O ATOM 1128 CB ALA A 79 7.393 -5.368 10.842 1.00 0.88 C ATOM 0 H ALA A 79 8.930 -6.940 9.289 1.00 0.91 H new ATOM 0 HA ALA A 79 6.248 -7.134 10.550 1.00 0.86 H new ATOM 0 HB1 ALA A 79 6.517 -4.745 11.021 1.00 0.88 H new ATOM 0 HB2 ALA A 79 7.795 -5.711 11.795 1.00 0.88 H new ATOM 0 HB3 ALA A 79 8.151 -4.787 10.317 1.00 0.88 H new ATOM 1134 N PHE A 80 7.221 -5.433 7.891 1.00 0.65 N ATOM 1135 CA PHE A 80 6.860 -5.045 6.540 1.00 0.60 C ATOM 1136 C PHE A 80 7.970 -5.501 5.617 1.00 0.72 C ATOM 1137 O PHE A 80 9.006 -5.934 6.082 1.00 1.37 O ATOM 1138 CB PHE A 80 6.669 -3.537 6.425 1.00 0.58 C ATOM 1139 CG PHE A 80 5.848 -2.950 7.533 1.00 0.58 C ATOM 1140 CD1 PHE A 80 4.470 -3.097 7.544 1.00 0.56 C ATOM 1141 CD2 PHE A 80 6.453 -2.244 8.558 1.00 0.72 C ATOM 1142 CE1 PHE A 80 3.711 -2.549 8.559 1.00 0.65 C ATOM 1143 CE2 PHE A 80 5.698 -1.693 9.575 1.00 0.82 C ATOM 1144 CZ PHE A 80 4.327 -1.879 9.596 1.00 0.77 C ATOM 0 H PHE A 80 8.151 -5.127 8.179 1.00 0.65 H new ATOM 0 HA PHE A 80 5.913 -5.510 6.268 1.00 0.60 H new ATOM 0 HB2 PHE A 80 7.647 -3.055 6.414 1.00 0.58 H new ATOM 0 HB3 PHE A 80 6.192 -3.311 5.471 1.00 0.58 H new ATOM 0 HD1 PHE A 80 3.985 -3.646 6.750 1.00 0.56 H new ATOM 0 HD2 PHE A 80 7.526 -2.123 8.563 1.00 0.72 H new ATOM 0 HE1 PHE A 80 2.635 -2.645 8.541 1.00 0.65 H new ATOM 0 HE2 PHE A 80 6.177 -1.118 10.353 1.00 0.82 H new ATOM 0 HZ PHE A 80 3.741 -1.501 10.421 1.00 0.77 H new ATOM 1154 N GLY A 81 7.778 -5.420 4.324 1.00 0.52 N ATOM 1155 CA GLY A 81 8.801 -5.920 3.435 1.00 0.57 C ATOM 1156 C GLY A 81 9.320 -4.846 2.533 1.00 0.50 C ATOM 1157 O GLY A 81 10.435 -4.356 2.691 1.00 0.54 O ATOM 0 H GLY A 81 6.952 -5.027 3.873 1.00 0.52 H new ATOM 0 HA2 GLY A 81 9.623 -6.333 4.020 1.00 0.57 H new ATOM 0 HA3 GLY A 81 8.396 -6.735 2.835 1.00 0.57 H new ATOM 1161 N TYR A 82 8.476 -4.450 1.612 1.00 0.45 N ATOM 1162 CA TYR A 82 8.834 -3.476 0.614 1.00 0.44 C ATOM 1163 C TYR A 82 7.656 -2.559 0.374 1.00 0.41 C ATOM 1164 O TYR A 82 6.504 -2.961 0.557 1.00 0.46 O ATOM 1165 CB TYR A 82 9.225 -4.189 -0.690 1.00 0.54 C ATOM 1166 CG TYR A 82 8.188 -5.202 -1.150 1.00 0.84 C ATOM 1167 CD1 TYR A 82 8.203 -6.509 -0.671 1.00 1.33 C ATOM 1168 CD2 TYR A 82 7.179 -4.845 -2.040 1.00 1.01 C ATOM 1169 CE1 TYR A 82 7.247 -7.428 -1.067 1.00 1.92 C ATOM 1170 CE2 TYR A 82 6.224 -5.760 -2.441 1.00 1.53 C ATOM 1171 CZ TYR A 82 6.260 -7.048 -1.949 1.00 1.98 C ATOM 1172 OH TYR A 82 5.304 -7.954 -2.337 1.00 2.58 O ATOM 0 H TYR A 82 7.520 -4.796 1.534 1.00 0.45 H new ATOM 0 HA TYR A 82 9.685 -2.889 0.960 1.00 0.44 H new ATOM 0 HB2 TYR A 82 9.371 -3.446 -1.474 1.00 0.54 H new ATOM 0 HB3 TYR A 82 10.180 -4.695 -0.548 1.00 0.54 H new ATOM 0 HD1 TYR A 82 8.974 -6.811 0.022 1.00 1.33 H new ATOM 0 HD2 TYR A 82 7.142 -3.836 -2.424 1.00 1.01 H new ATOM 0 HE1 TYR A 82 7.275 -8.438 -0.686 1.00 1.92 H new ATOM 0 HE2 TYR A 82 5.452 -5.467 -3.137 1.00 1.53 H new ATOM 0 HH TYR A 82 4.899 -8.362 -1.543 1.00 2.58 H new ATOM 1182 N TYR A 83 7.931 -1.337 -0.012 1.00 0.36 N ATOM 1183 CA TYR A 83 6.878 -0.423 -0.376 1.00 0.38 C ATOM 1184 C TYR A 83 7.172 0.156 -1.750 1.00 0.38 C ATOM 1185 O TYR A 83 8.310 0.516 -2.052 1.00 0.43 O ATOM 1186 CB TYR A 83 6.707 0.682 0.676 1.00 0.39 C ATOM 1187 CG TYR A 83 7.830 1.688 0.734 1.00 0.39 C ATOM 1188 CD1 TYR A 83 8.941 1.465 1.539 1.00 0.50 C ATOM 1189 CD2 TYR A 83 7.782 2.852 -0.013 1.00 0.41 C ATOM 1190 CE1 TYR A 83 9.972 2.384 1.598 1.00 0.58 C ATOM 1191 CE2 TYR A 83 8.807 3.773 0.036 1.00 0.49 C ATOM 1192 CZ TYR A 83 9.893 3.542 0.840 1.00 0.56 C ATOM 1193 OH TYR A 83 10.914 4.464 0.900 1.00 0.68 O ATOM 0 H TYR A 83 8.874 -0.954 -0.082 1.00 0.36 H new ATOM 0 HA TYR A 83 5.933 -0.965 -0.415 1.00 0.38 H new ATOM 0 HB2 TYR A 83 5.775 1.211 0.476 1.00 0.39 H new ATOM 0 HB3 TYR A 83 6.606 0.217 1.656 1.00 0.39 H new ATOM 0 HD1 TYR A 83 9.000 0.561 2.127 1.00 0.50 H new ATOM 0 HD2 TYR A 83 6.927 3.042 -0.645 1.00 0.41 H new ATOM 0 HE1 TYR A 83 10.830 2.202 2.228 1.00 0.58 H new ATOM 0 HE2 TYR A 83 8.754 4.674 -0.557 1.00 0.49 H new ATOM 0 HH TYR A 83 10.567 5.315 1.240 1.00 0.68 H new ATOM 1203 N LEU A 84 6.157 0.185 -2.589 1.00 0.40 N ATOM 1204 CA LEU A 84 6.291 0.719 -3.928 1.00 0.42 C ATOM 1205 C LEU A 84 5.273 1.825 -4.139 1.00 0.43 C ATOM 1206 O LEU A 84 4.116 1.555 -4.453 1.00 0.50 O ATOM 1207 CB LEU A 84 6.095 -0.392 -4.965 1.00 0.51 C ATOM 1208 CG LEU A 84 7.074 -1.564 -4.860 1.00 0.66 C ATOM 1209 CD1 LEU A 84 6.691 -2.662 -5.840 1.00 1.42 C ATOM 1210 CD2 LEU A 84 8.495 -1.092 -5.120 1.00 1.21 C ATOM 0 H LEU A 84 5.223 -0.158 -2.364 1.00 0.40 H new ATOM 0 HA LEU A 84 7.293 1.130 -4.051 1.00 0.42 H new ATOM 0 HB2 LEU A 84 5.080 -0.778 -4.872 1.00 0.51 H new ATOM 0 HB3 LEU A 84 6.180 0.043 -5.961 1.00 0.51 H new ATOM 0 HG LEU A 84 7.024 -1.969 -3.849 1.00 0.66 H new ATOM 0 HD11 LEU A 84 7.396 -3.489 -5.754 1.00 1.42 H new ATOM 0 HD12 LEU A 84 5.686 -3.017 -5.614 1.00 1.42 H new ATOM 0 HD13 LEU A 84 6.716 -2.268 -6.856 1.00 1.42 H new ATOM 0 HD21 LEU A 84 9.179 -1.937 -5.042 1.00 1.21 H new ATOM 0 HD22 LEU A 84 8.559 -0.665 -6.121 1.00 1.21 H new ATOM 0 HD23 LEU A 84 8.767 -0.335 -4.384 1.00 1.21 H new ATOM 1222 N THR A 85 5.697 3.070 -3.975 1.00 0.43 N ATOM 1223 CA THR A 85 4.779 4.189 -4.049 1.00 0.47 C ATOM 1224 C THR A 85 4.549 4.551 -5.502 1.00 0.45 C ATOM 1225 O THR A 85 5.376 5.205 -6.140 1.00 0.50 O ATOM 1226 CB THR A 85 5.325 5.417 -3.300 1.00 0.58 C ATOM 1227 OG1 THR A 85 6.129 4.996 -2.187 1.00 0.75 O ATOM 1228 CG2 THR A 85 4.184 6.285 -2.803 1.00 0.98 C ATOM 0 H THR A 85 6.667 3.326 -3.791 1.00 0.43 H new ATOM 0 HA THR A 85 3.842 3.892 -3.577 1.00 0.47 H new ATOM 0 HB THR A 85 5.937 5.998 -3.989 1.00 0.58 H new ATOM 0 HG1 THR A 85 5.649 5.172 -1.351 1.00 0.75 H new ATOM 0 HG21 THR A 85 4.587 7.149 -2.275 1.00 0.98 H new ATOM 0 HG22 THR A 85 3.588 6.623 -3.651 1.00 0.98 H new ATOM 0 HG23 THR A 85 3.556 5.707 -2.125 1.00 0.98 H new ATOM 1236 N LEU A 86 3.430 4.088 -6.021 1.00 0.43 N ATOM 1237 CA LEU A 86 3.154 4.155 -7.435 1.00 0.43 C ATOM 1238 C LEU A 86 1.954 5.044 -7.705 1.00 0.45 C ATOM 1239 O LEU A 86 0.912 4.896 -7.074 1.00 0.50 O ATOM 1240 CB LEU A 86 2.917 2.729 -7.942 1.00 0.46 C ATOM 1241 CG LEU A 86 2.774 2.556 -9.452 1.00 0.63 C ATOM 1242 CD1 LEU A 86 3.249 1.176 -9.852 1.00 1.23 C ATOM 1243 CD2 LEU A 86 1.335 2.743 -9.885 1.00 1.35 C ATOM 0 H LEU A 86 2.688 3.655 -5.471 1.00 0.43 H new ATOM 0 HA LEU A 86 4.000 4.594 -7.964 1.00 0.43 H new ATOM 0 HB2 LEU A 86 3.745 2.105 -7.604 1.00 0.46 H new ATOM 0 HB3 LEU A 86 2.014 2.344 -7.468 1.00 0.46 H new ATOM 0 HG LEU A 86 3.383 3.314 -9.945 1.00 0.63 H new ATOM 0 HD11 LEU A 86 3.146 1.054 -10.930 1.00 1.23 H new ATOM 0 HD12 LEU A 86 4.295 1.056 -9.571 1.00 1.23 H new ATOM 0 HD13 LEU A 86 2.648 0.423 -9.343 1.00 1.23 H new ATOM 0 HD21 LEU A 86 1.260 2.615 -10.965 1.00 1.35 H new ATOM 0 HD22 LEU A 86 0.706 2.004 -9.387 1.00 1.35 H new ATOM 0 HD23 LEU A 86 1.001 3.745 -9.615 1.00 1.35 H new ATOM 1255 N THR A 87 2.097 5.979 -8.630 1.00 0.48 N ATOM 1256 CA THR A 87 0.980 6.820 -8.990 1.00 0.55 C ATOM 1257 C THR A 87 0.012 6.042 -9.864 1.00 0.55 C ATOM 1258 O THR A 87 0.388 5.570 -10.939 1.00 0.56 O ATOM 1259 CB THR A 87 1.455 8.072 -9.746 1.00 0.61 C ATOM 1260 OG1 THR A 87 2.698 7.796 -10.405 1.00 1.21 O ATOM 1261 CG2 THR A 87 1.622 9.253 -8.811 1.00 1.26 C ATOM 0 H THR A 87 2.963 6.169 -9.135 1.00 0.48 H new ATOM 0 HA THR A 87 0.481 7.135 -8.073 1.00 0.55 H new ATOM 0 HB THR A 87 0.695 8.331 -10.484 1.00 0.61 H new ATOM 0 HG1 THR A 87 2.997 8.595 -10.887 1.00 1.21 H new ATOM 0 HG21 THR A 87 1.959 10.121 -9.378 1.00 1.26 H new ATOM 0 HG22 THR A 87 0.668 9.478 -8.335 1.00 1.26 H new ATOM 0 HG23 THR A 87 2.360 9.010 -8.047 1.00 1.26 H new ATOM 1269 N ARG A 88 -1.235 5.967 -9.407 1.00 0.60 N ATOM 1270 CA ARG A 88 -2.301 5.233 -10.087 1.00 0.67 C ATOM 1271 C ARG A 88 -3.413 4.941 -9.090 1.00 0.71 C ATOM 1272 O ARG A 88 -3.169 4.313 -8.065 1.00 1.02 O ATOM 1273 CB ARG A 88 -1.803 3.898 -10.666 1.00 0.71 C ATOM 1274 CG ARG A 88 -2.527 3.475 -11.929 1.00 0.93 C ATOM 1275 CD ARG A 88 -1.927 2.204 -12.497 1.00 1.05 C ATOM 1276 NE ARG A 88 -2.186 1.049 -11.640 1.00 0.86 N ATOM 1277 CZ ARG A 88 -1.281 0.126 -11.333 1.00 0.99 C ATOM 1278 NH1 ARG A 88 -0.004 0.292 -11.668 1.00 1.06 N ATOM 1279 NH2 ARG A 88 -1.644 -0.940 -10.635 1.00 1.34 N ATOM 0 H ARG A 88 -1.538 6.419 -8.544 1.00 0.60 H new ATOM 0 HA ARG A 88 -2.658 5.851 -10.911 1.00 0.67 H new ATOM 0 HB2 ARG A 88 -0.737 3.979 -10.878 1.00 0.71 H new ATOM 0 HB3 ARG A 88 -1.919 3.119 -9.913 1.00 0.71 H new ATOM 0 HG2 ARG A 88 -3.584 3.318 -11.712 1.00 0.93 H new ATOM 0 HG3 ARG A 88 -2.469 4.272 -12.670 1.00 0.93 H new ATOM 0 HD2 ARG A 88 -2.339 2.020 -13.489 1.00 1.05 H new ATOM 0 HD3 ARG A 88 -0.851 2.333 -12.618 1.00 1.05 H new ATOM 0 HE ARG A 88 -3.123 0.945 -11.252 1.00 0.86 H new ATOM 0 HH11 ARG A 88 0.288 1.134 -12.165 1.00 1.06 H new ATOM 0 HH12 ARG A 88 0.683 -0.422 -11.428 1.00 1.06 H new ATOM 0 HH21 ARG A 88 -2.613 -1.048 -10.337 1.00 1.34 H new ATOM 0 HH22 ARG A 88 -0.954 -1.652 -10.396 1.00 1.34 H new ATOM 1293 N LEU A 89 -4.626 5.388 -9.388 1.00 0.56 N ATOM 1294 CA LEU A 89 -5.760 5.174 -8.498 1.00 0.55 C ATOM 1295 C LEU A 89 -7.035 5.714 -9.132 1.00 0.55 C ATOM 1296 O LEU A 89 -6.991 6.590 -9.999 1.00 0.77 O ATOM 1297 CB LEU A 89 -5.518 5.840 -7.134 1.00 0.62 C ATOM 1298 CG LEU A 89 -6.545 5.515 -6.046 1.00 0.82 C ATOM 1299 CD1 LEU A 89 -6.624 4.014 -5.806 1.00 1.71 C ATOM 1300 CD2 LEU A 89 -6.186 6.229 -4.755 1.00 1.06 C ATOM 0 H LEU A 89 -4.850 5.902 -10.240 1.00 0.56 H new ATOM 0 HA LEU A 89 -5.873 4.102 -8.338 1.00 0.55 H new ATOM 0 HB2 LEU A 89 -4.531 5.546 -6.776 1.00 0.62 H new ATOM 0 HB3 LEU A 89 -5.496 6.920 -7.276 1.00 0.62 H new ATOM 0 HG LEU A 89 -7.521 5.861 -6.385 1.00 0.82 H new ATOM 0 HD11 LEU A 89 -7.360 3.808 -5.029 1.00 1.71 H new ATOM 0 HD12 LEU A 89 -6.920 3.513 -6.728 1.00 1.71 H new ATOM 0 HD13 LEU A 89 -5.649 3.644 -5.489 1.00 1.71 H new ATOM 0 HD21 LEU A 89 -6.924 5.990 -3.989 1.00 1.06 H new ATOM 0 HD22 LEU A 89 -5.200 5.905 -4.422 1.00 1.06 H new ATOM 0 HD23 LEU A 89 -6.176 7.306 -4.925 1.00 1.06 H new ATOM 1312 N ASP A 90 -8.159 5.181 -8.696 1.00 0.47 N ATOM 1313 CA ASP A 90 -9.458 5.558 -9.218 1.00 0.52 C ATOM 1314 C ASP A 90 -10.451 5.619 -8.066 1.00 0.53 C ATOM 1315 O ASP A 90 -10.212 5.013 -7.017 1.00 0.51 O ATOM 1316 CB ASP A 90 -9.910 4.535 -10.267 1.00 0.68 C ATOM 1317 CG ASP A 90 -11.252 4.871 -10.883 1.00 1.40 C ATOM 1318 OD1 ASP A 90 -11.284 5.661 -11.844 1.00 1.74 O ATOM 1319 OD2 ASP A 90 -12.277 4.343 -10.404 1.00 2.21 O ATOM 0 H ASP A 90 -8.197 4.470 -7.966 1.00 0.47 H new ATOM 0 HA ASP A 90 -9.402 6.536 -9.695 1.00 0.52 H new ATOM 0 HB2 ASP A 90 -9.160 4.476 -11.055 1.00 0.68 H new ATOM 0 HB3 ASP A 90 -9.965 3.549 -9.805 1.00 0.68 H new ATOM 1324 N LYS A 91 -11.547 6.345 -8.240 1.00 0.63 N ATOM 1325 CA LYS A 91 -12.563 6.446 -7.197 1.00 0.75 C ATOM 1326 C LYS A 91 -13.105 5.065 -6.839 1.00 0.79 C ATOM 1327 O LYS A 91 -13.293 4.739 -5.664 1.00 0.85 O ATOM 1328 CB LYS A 91 -13.711 7.356 -7.642 1.00 0.89 C ATOM 1329 CG LYS A 91 -14.682 7.674 -6.517 1.00 1.15 C ATOM 1330 CD LYS A 91 -13.972 8.376 -5.372 1.00 1.38 C ATOM 1331 CE LYS A 91 -14.890 8.606 -4.184 1.00 1.71 C ATOM 1332 NZ LYS A 91 -14.307 9.569 -3.212 1.00 2.24 N ATOM 0 H LYS A 91 -11.756 6.871 -9.089 1.00 0.63 H new ATOM 0 HA LYS A 91 -12.095 6.881 -6.314 1.00 0.75 H new ATOM 0 HB2 LYS A 91 -13.300 8.286 -8.034 1.00 0.89 H new ATOM 0 HB3 LYS A 91 -14.252 6.877 -8.458 1.00 0.89 H new ATOM 0 HG2 LYS A 91 -15.487 8.306 -6.893 1.00 1.15 H new ATOM 0 HG3 LYS A 91 -15.141 6.754 -6.156 1.00 1.15 H new ATOM 0 HD2 LYS A 91 -13.116 7.780 -5.057 1.00 1.38 H new ATOM 0 HD3 LYS A 91 -13.583 9.333 -5.720 1.00 1.38 H new ATOM 0 HE2 LYS A 91 -15.851 8.981 -4.535 1.00 1.71 H new ATOM 0 HE3 LYS A 91 -15.082 7.657 -3.684 1.00 1.71 H new ATOM 0 HZ1 LYS A 91 -14.320 9.151 -2.260 1.00 2.24 H new ATOM 0 HZ2 LYS A 91 -13.326 9.785 -3.483 1.00 2.24 H new ATOM 0 HZ3 LYS A 91 -14.867 10.445 -3.213 1.00 2.24 H new ATOM 1346 N ALA A 92 -13.321 4.243 -7.855 1.00 0.81 N ATOM 1347 CA ALA A 92 -13.839 2.901 -7.646 1.00 0.94 C ATOM 1348 C ALA A 92 -12.742 1.981 -7.136 1.00 0.81 C ATOM 1349 O ALA A 92 -13.018 0.950 -6.530 1.00 0.81 O ATOM 1350 CB ALA A 92 -14.442 2.354 -8.926 1.00 1.13 C ATOM 0 H ALA A 92 -13.146 4.482 -8.831 1.00 0.81 H new ATOM 0 HA ALA A 92 -14.625 2.950 -6.893 1.00 0.94 H new ATOM 0 HB1 ALA A 92 -14.824 1.349 -8.748 1.00 1.13 H new ATOM 0 HB2 ALA A 92 -15.258 3.000 -9.249 1.00 1.13 H new ATOM 0 HB3 ALA A 92 -13.678 2.319 -9.702 1.00 1.13 H new ATOM 1356 N ALA A 93 -11.493 2.367 -7.368 1.00 0.73 N ATOM 1357 CA ALA A 93 -10.360 1.598 -6.883 1.00 0.67 C ATOM 1358 C ALA A 93 -10.269 1.696 -5.368 1.00 0.57 C ATOM 1359 O ALA A 93 -9.958 0.716 -4.698 1.00 0.57 O ATOM 1360 CB ALA A 93 -9.070 2.063 -7.534 1.00 0.69 C ATOM 0 H ALA A 93 -11.242 3.207 -7.889 1.00 0.73 H new ATOM 0 HA ALA A 93 -10.511 0.553 -7.154 1.00 0.67 H new ATOM 0 HB1 ALA A 93 -8.237 1.472 -7.154 1.00 0.69 H new ATOM 0 HB2 ALA A 93 -9.142 1.937 -8.614 1.00 0.69 H new ATOM 0 HB3 ALA A 93 -8.904 3.115 -7.302 1.00 0.69 H new ATOM 1366 N CYS A 94 -10.557 2.883 -4.833 1.00 0.55 N ATOM 1367 CA CYS A 94 -10.662 3.064 -3.386 1.00 0.58 C ATOM 1368 C CYS A 94 -11.674 2.086 -2.810 1.00 0.60 C ATOM 1369 O CYS A 94 -11.417 1.412 -1.813 1.00 0.63 O ATOM 1370 CB CYS A 94 -11.089 4.494 -3.043 1.00 0.67 C ATOM 1371 SG CYS A 94 -9.805 5.755 -3.303 1.00 1.02 S ATOM 0 H CYS A 94 -10.721 3.730 -5.378 1.00 0.55 H new ATOM 0 HA CYS A 94 -9.680 2.876 -2.951 1.00 0.58 H new ATOM 0 HB2 CYS A 94 -11.960 4.753 -3.645 1.00 0.67 H new ATOM 0 HB3 CYS A 94 -11.403 4.524 -2.000 1.00 0.67 H new ATOM 1376 N VAL A 95 -12.822 2.003 -3.468 1.00 0.64 N ATOM 1377 CA VAL A 95 -13.884 1.106 -3.052 1.00 0.71 C ATOM 1378 C VAL A 95 -13.458 -0.346 -3.230 1.00 0.65 C ATOM 1379 O VAL A 95 -13.721 -1.193 -2.379 1.00 0.67 O ATOM 1380 CB VAL A 95 -15.175 1.382 -3.853 1.00 0.83 C ATOM 1381 CG1 VAL A 95 -16.273 0.393 -3.488 1.00 0.96 C ATOM 1382 CG2 VAL A 95 -15.649 2.811 -3.626 1.00 1.04 C ATOM 0 H VAL A 95 -13.040 2.553 -4.299 1.00 0.64 H new ATOM 0 HA VAL A 95 -14.085 1.285 -1.996 1.00 0.71 H new ATOM 0 HB VAL A 95 -14.946 1.254 -4.911 1.00 0.83 H new ATOM 0 HG11 VAL A 95 -17.169 0.613 -4.068 1.00 0.96 H new ATOM 0 HG12 VAL A 95 -15.938 -0.620 -3.709 1.00 0.96 H new ATOM 0 HG13 VAL A 95 -16.500 0.477 -2.425 1.00 0.96 H new ATOM 0 HG21 VAL A 95 -16.560 2.987 -4.198 1.00 1.04 H new ATOM 0 HG22 VAL A 95 -15.851 2.963 -2.566 1.00 1.04 H new ATOM 0 HG23 VAL A 95 -14.876 3.507 -3.951 1.00 1.04 H new ATOM 1392 N SER A 96 -12.775 -0.613 -4.326 1.00 0.62 N ATOM 1393 CA SER A 96 -12.323 -1.955 -4.653 1.00 0.61 C ATOM 1394 C SER A 96 -11.311 -2.475 -3.632 1.00 0.55 C ATOM 1395 O SER A 96 -11.335 -3.649 -3.269 1.00 0.58 O ATOM 1396 CB SER A 96 -11.709 -1.948 -6.050 1.00 0.68 C ATOM 1397 OG SER A 96 -11.276 -3.243 -6.441 1.00 1.00 O ATOM 0 H SER A 96 -12.517 0.093 -5.016 1.00 0.62 H new ATOM 0 HA SER A 96 -13.182 -2.625 -4.627 1.00 0.61 H new ATOM 0 HB2 SER A 96 -12.441 -1.577 -6.767 1.00 0.68 H new ATOM 0 HB3 SER A 96 -10.864 -1.260 -6.073 1.00 0.68 H new ATOM 0 HG SER A 96 -11.642 -3.458 -7.324 1.00 1.00 H new ATOM 1403 N LEU A 97 -10.434 -1.600 -3.162 1.00 0.56 N ATOM 1404 CA LEU A 97 -9.396 -1.998 -2.220 1.00 0.61 C ATOM 1405 C LEU A 97 -9.976 -2.259 -0.834 1.00 0.63 C ATOM 1406 O LEU A 97 -9.431 -3.043 -0.063 1.00 0.70 O ATOM 1407 CB LEU A 97 -8.307 -0.929 -2.149 1.00 0.69 C ATOM 1408 CG LEU A 97 -7.555 -0.679 -3.459 1.00 0.78 C ATOM 1409 CD1 LEU A 97 -6.509 0.409 -3.278 1.00 0.86 C ATOM 1410 CD2 LEU A 97 -6.907 -1.961 -3.962 1.00 0.89 C ATOM 0 H LEU A 97 -10.419 -0.612 -3.416 1.00 0.56 H new ATOM 0 HA LEU A 97 -8.955 -2.928 -2.578 1.00 0.61 H new ATOM 0 HB2 LEU A 97 -8.760 0.008 -1.824 1.00 0.69 H new ATOM 0 HB3 LEU A 97 -7.586 -1.217 -1.384 1.00 0.69 H new ATOM 0 HG LEU A 97 -8.276 -0.343 -4.205 1.00 0.78 H new ATOM 0 HD11 LEU A 97 -5.986 0.571 -4.220 1.00 0.86 H new ATOM 0 HD12 LEU A 97 -6.996 1.334 -2.969 1.00 0.86 H new ATOM 0 HD13 LEU A 97 -5.794 0.103 -2.514 1.00 0.86 H new ATOM 0 HD21 LEU A 97 -6.378 -1.760 -4.894 1.00 0.89 H new ATOM 0 HD22 LEU A 97 -6.202 -2.329 -3.217 1.00 0.89 H new ATOM 0 HD23 LEU A 97 -7.676 -2.713 -4.136 1.00 0.89 H new ATOM 1422 N ALA A 98 -11.087 -1.609 -0.518 1.00 0.64 N ATOM 1423 CA ALA A 98 -11.753 -1.836 0.760 1.00 0.75 C ATOM 1424 C ALA A 98 -12.745 -2.983 0.654 1.00 0.71 C ATOM 1425 O ALA A 98 -13.221 -3.508 1.660 1.00 0.85 O ATOM 1426 CB ALA A 98 -12.435 -0.572 1.240 1.00 0.92 C ATOM 0 H ALA A 98 -11.544 -0.926 -1.122 1.00 0.64 H new ATOM 0 HA ALA A 98 -10.997 -2.112 1.495 1.00 0.75 H new ATOM 0 HB1 ALA A 98 -12.925 -0.763 2.194 1.00 0.92 H new ATOM 0 HB2 ALA A 98 -11.693 0.217 1.365 1.00 0.92 H new ATOM 0 HB3 ALA A 98 -13.178 -0.258 0.507 1.00 0.92 H new ATOM 1432 N THR A 99 -13.050 -3.361 -0.576 1.00 0.66 N ATOM 1433 CA THR A 99 -13.850 -4.539 -0.838 1.00 0.71 C ATOM 1434 C THR A 99 -12.936 -5.684 -1.243 1.00 0.66 C ATOM 1435 O THR A 99 -13.381 -6.713 -1.731 1.00 0.77 O ATOM 1436 CB THR A 99 -14.909 -4.277 -1.930 1.00 0.81 C ATOM 1437 OG1 THR A 99 -14.300 -3.710 -3.092 1.00 0.82 O ATOM 1438 CG2 THR A 99 -15.992 -3.338 -1.422 1.00 0.92 C ATOM 0 H THR A 99 -12.751 -2.862 -1.414 1.00 0.66 H new ATOM 0 HA THR A 99 -14.387 -4.803 0.073 1.00 0.71 H new ATOM 0 HB THR A 99 -15.362 -5.234 -2.189 1.00 0.81 H new ATOM 0 HG1 THR A 99 -14.304 -2.733 -3.019 1.00 0.82 H new ATOM 0 HG21 THR A 99 -16.726 -3.169 -2.210 1.00 0.92 H new ATOM 0 HG22 THR A 99 -16.484 -3.784 -0.557 1.00 0.92 H new ATOM 0 HG23 THR A 99 -15.543 -2.387 -1.134 1.00 0.92 H new ATOM 1446 N LEU A 100 -11.645 -5.470 -1.038 1.00 0.59 N ATOM 1447 CA LEU A 100 -10.641 -6.504 -1.200 1.00 0.61 C ATOM 1448 C LEU A 100 -10.197 -6.918 0.189 1.00 0.66 C ATOM 1449 O LEU A 100 -10.036 -6.067 1.061 1.00 0.93 O ATOM 1450 CB LEU A 100 -9.446 -5.962 -2.002 1.00 0.60 C ATOM 1451 CG LEU A 100 -8.558 -7.008 -2.692 1.00 0.69 C ATOM 1452 CD1 LEU A 100 -7.763 -6.361 -3.814 1.00 1.08 C ATOM 1453 CD2 LEU A 100 -7.604 -7.662 -1.700 1.00 0.73 C ATOM 0 H LEU A 100 -11.265 -4.567 -0.753 1.00 0.59 H new ATOM 0 HA LEU A 100 -11.047 -7.356 -1.745 1.00 0.61 H new ATOM 0 HB2 LEU A 100 -9.826 -5.280 -2.763 1.00 0.60 H new ATOM 0 HB3 LEU A 100 -8.822 -5.373 -1.330 1.00 0.60 H new ATOM 0 HG LEU A 100 -9.208 -7.780 -3.104 1.00 0.69 H new ATOM 0 HD11 LEU A 100 -7.137 -7.112 -4.296 1.00 1.08 H new ATOM 0 HD12 LEU A 100 -8.448 -5.935 -4.547 1.00 1.08 H new ATOM 0 HD13 LEU A 100 -7.133 -5.571 -3.405 1.00 1.08 H new ATOM 0 HD21 LEU A 100 -6.989 -8.398 -2.218 1.00 0.73 H new ATOM 0 HD22 LEU A 100 -6.963 -6.901 -1.256 1.00 0.73 H new ATOM 0 HD23 LEU A 100 -8.177 -8.156 -0.916 1.00 0.73 H new ATOM 1465 N ASN A 101 -10.014 -8.206 0.420 1.00 0.60 N ATOM 1466 CA ASN A 101 -9.646 -8.661 1.745 1.00 0.66 C ATOM 1467 C ASN A 101 -8.166 -8.441 2.008 1.00 0.70 C ATOM 1468 O ASN A 101 -7.324 -9.280 1.683 1.00 0.79 O ATOM 1469 CB ASN A 101 -10.022 -10.125 1.966 1.00 0.80 C ATOM 1470 CG ASN A 101 -9.660 -10.595 3.360 1.00 0.93 C ATOM 1471 OD1 ASN A 101 -8.605 -11.189 3.573 1.00 1.29 O ATOM 1472 ND2 ASN A 101 -10.511 -10.288 4.326 1.00 1.12 N ATOM 0 H ASN A 101 -10.112 -8.942 -0.279 1.00 0.60 H new ATOM 0 HA ASN A 101 -10.213 -8.064 2.459 1.00 0.66 H new ATOM 0 HB2 ASN A 101 -11.092 -10.253 1.806 1.00 0.80 H new ATOM 0 HB3 ASN A 101 -9.513 -10.746 1.229 1.00 0.80 H new ATOM 0 HD21 ASN A 101 -10.302 -10.545 5.291 1.00 1.12 H new ATOM 0 HD22 ASN A 101 -11.376 -9.794 4.106 1.00 1.12 H new ATOM 1479 N LEU A 102 -7.857 -7.290 2.589 1.00 0.76 N ATOM 1480 CA LEU A 102 -6.498 -6.964 3.005 1.00 0.88 C ATOM 1481 C LEU A 102 -6.193 -7.601 4.359 1.00 0.99 C ATOM 1482 O LEU A 102 -5.527 -7.003 5.201 1.00 1.50 O ATOM 1483 CB LEU A 102 -6.305 -5.438 3.089 1.00 1.07 C ATOM 1484 CG LEU A 102 -5.957 -4.716 1.775 1.00 1.01 C ATOM 1485 CD1 LEU A 102 -4.643 -5.226 1.210 1.00 1.55 C ATOM 1486 CD2 LEU A 102 -7.064 -4.875 0.751 1.00 1.47 C ATOM 0 H LEU A 102 -8.539 -6.557 2.785 1.00 0.76 H new ATOM 0 HA LEU A 102 -5.809 -7.361 2.260 1.00 0.88 H new ATOM 0 HB2 LEU A 102 -7.220 -5.000 3.487 1.00 1.07 H new ATOM 0 HB3 LEU A 102 -5.514 -5.233 3.810 1.00 1.07 H new ATOM 0 HG LEU A 102 -5.851 -3.655 2.001 1.00 1.01 H new ATOM 0 HD11 LEU A 102 -4.418 -4.701 0.282 1.00 1.55 H new ATOM 0 HD12 LEU A 102 -3.844 -5.049 1.930 1.00 1.55 H new ATOM 0 HD13 LEU A 102 -4.722 -6.295 1.012 1.00 1.55 H new ATOM 0 HD21 LEU A 102 -6.789 -4.354 -0.166 1.00 1.47 H new ATOM 0 HD22 LEU A 102 -7.212 -5.933 0.537 1.00 1.47 H new ATOM 0 HD23 LEU A 102 -7.988 -4.452 1.145 1.00 1.47 H new ATOM 1498 N GLY A 103 -6.681 -8.818 4.564 1.00 0.92 N ATOM 1499 CA GLY A 103 -6.451 -9.507 5.819 1.00 1.04 C ATOM 1500 C GLY A 103 -5.939 -10.915 5.613 1.00 1.12 C ATOM 1501 O GLY A 103 -5.903 -11.714 6.546 1.00 1.70 O ATOM 0 H GLY A 103 -7.232 -9.340 3.883 1.00 0.92 H new ATOM 0 HA2 GLY A 103 -5.732 -8.944 6.414 1.00 1.04 H new ATOM 0 HA3 GLY A 103 -7.380 -9.540 6.389 1.00 1.04 H new ATOM 1505 N THR A 104 -5.547 -11.222 4.386 1.00 1.03 N ATOM 1506 CA THR A 104 -5.022 -12.536 4.061 1.00 1.28 C ATOM 1507 C THR A 104 -3.615 -12.445 3.475 1.00 1.06 C ATOM 1508 O THR A 104 -2.681 -13.077 3.969 1.00 1.25 O ATOM 1509 CB THR A 104 -5.945 -13.269 3.072 1.00 1.73 C ATOM 1510 OG1 THR A 104 -6.454 -12.336 2.107 1.00 2.31 O ATOM 1511 CG2 THR A 104 -7.096 -13.949 3.801 1.00 2.21 C ATOM 0 H THR A 104 -5.583 -10.576 3.598 1.00 1.03 H new ATOM 0 HA THR A 104 -4.976 -13.102 4.991 1.00 1.28 H new ATOM 0 HB THR A 104 -5.366 -14.040 2.563 1.00 1.73 H new ATOM 0 HG1 THR A 104 -7.220 -11.858 2.487 1.00 2.31 H new ATOM 0 HG21 THR A 104 -7.733 -14.460 3.079 1.00 2.21 H new ATOM 0 HG22 THR A 104 -6.699 -14.674 4.511 1.00 2.21 H new ATOM 0 HG23 THR A 104 -7.681 -13.201 4.335 1.00 2.21 H new ATOM 1519 N SER A 105 -3.463 -11.654 2.424 1.00 0.97 N ATOM 1520 CA SER A 105 -2.174 -11.501 1.766 1.00 1.06 C ATOM 1521 C SER A 105 -1.609 -10.107 1.973 1.00 1.02 C ATOM 1522 O SER A 105 -0.739 -9.668 1.229 1.00 1.48 O ATOM 1523 CB SER A 105 -2.327 -11.777 0.274 1.00 1.35 C ATOM 1524 OG SER A 105 -3.323 -10.939 -0.291 1.00 2.06 O ATOM 0 H SER A 105 -4.217 -11.107 2.008 1.00 0.97 H new ATOM 0 HA SER A 105 -1.479 -12.216 2.207 1.00 1.06 H new ATOM 0 HB2 SER A 105 -1.375 -11.611 -0.231 1.00 1.35 H new ATOM 0 HB3 SER A 105 -2.593 -12.823 0.118 1.00 1.35 H new ATOM 0 HG SER A 105 -2.967 -10.502 -1.093 1.00 2.06 H new ATOM 1530 N ALA A 106 -2.086 -9.418 2.991 1.00 0.76 N ATOM 1531 CA ALA A 106 -1.653 -8.056 3.240 1.00 0.73 C ATOM 1532 C ALA A 106 -0.773 -7.985 4.472 1.00 0.59 C ATOM 1533 O ALA A 106 -0.665 -8.948 5.230 1.00 0.67 O ATOM 1534 CB ALA A 106 -2.849 -7.137 3.402 1.00 0.90 C ATOM 0 H ALA A 106 -2.771 -9.776 3.657 1.00 0.76 H new ATOM 0 HA ALA A 106 -1.071 -7.727 2.380 1.00 0.73 H new ATOM 0 HB1 ALA A 106 -2.504 -6.120 3.588 1.00 0.90 H new ATOM 0 HB2 ALA A 106 -3.448 -7.156 2.492 1.00 0.90 H new ATOM 0 HB3 ALA A 106 -3.455 -7.474 4.243 1.00 0.90 H new ATOM 1540 N LYS A 107 -0.126 -6.848 4.659 1.00 0.51 N ATOM 1541 CA LYS A 107 0.643 -6.622 5.866 1.00 0.47 C ATOM 1542 C LYS A 107 0.221 -5.315 6.535 1.00 0.51 C ATOM 1543 O LYS A 107 0.420 -5.123 7.733 1.00 0.70 O ATOM 1544 CB LYS A 107 2.143 -6.636 5.581 1.00 0.58 C ATOM 1545 CG LYS A 107 2.806 -7.911 6.081 1.00 0.99 C ATOM 1546 CD LYS A 107 3.907 -8.390 5.157 1.00 0.67 C ATOM 1547 CE LYS A 107 5.177 -7.574 5.287 1.00 1.07 C ATOM 1548 NZ LYS A 107 6.231 -8.057 4.352 1.00 1.69 N ATOM 0 H LYS A 107 -0.118 -6.074 3.995 1.00 0.51 H new ATOM 0 HA LYS A 107 0.435 -7.440 6.556 1.00 0.47 H new ATOM 0 HB2 LYS A 107 2.309 -6.538 4.508 1.00 0.58 H new ATOM 0 HB3 LYS A 107 2.610 -5.774 6.056 1.00 0.58 H new ATOM 0 HG2 LYS A 107 3.219 -7.737 7.074 1.00 0.99 H new ATOM 0 HG3 LYS A 107 2.054 -8.693 6.181 1.00 0.99 H new ATOM 0 HD2 LYS A 107 4.128 -9.435 5.373 1.00 0.67 H new ATOM 0 HD3 LYS A 107 3.555 -8.345 4.126 1.00 0.67 H new ATOM 0 HE2 LYS A 107 4.960 -6.525 5.083 1.00 1.07 H new ATOM 0 HE3 LYS A 107 5.544 -7.630 6.312 1.00 1.07 H new ATOM 0 HZ1 LYS A 107 7.168 -7.804 4.725 1.00 1.69 H new ATOM 0 HZ2 LYS A 107 6.164 -9.090 4.257 1.00 1.69 H new ATOM 0 HZ3 LYS A 107 6.098 -7.614 3.420 1.00 1.69 H new ATOM 1562 N GLY A 108 -0.367 -4.426 5.747 1.00 0.50 N ATOM 1563 CA GLY A 108 -0.883 -3.179 6.275 1.00 0.61 C ATOM 1564 C GLY A 108 -1.577 -2.360 5.207 1.00 0.58 C ATOM 1565 O GLY A 108 -1.286 -2.507 4.028 1.00 0.81 O ATOM 0 H GLY A 108 -0.497 -4.548 4.743 1.00 0.50 H new ATOM 0 HA2 GLY A 108 -1.583 -3.389 7.084 1.00 0.61 H new ATOM 0 HA3 GLY A 108 -0.065 -2.600 6.703 1.00 0.61 H new ATOM 1569 N TYR A 109 -2.496 -1.501 5.609 1.00 0.52 N ATOM 1570 CA TYR A 109 -3.217 -0.661 4.661 1.00 0.49 C ATOM 1571 C TYR A 109 -3.515 0.692 5.313 1.00 0.47 C ATOM 1572 O TYR A 109 -4.120 0.745 6.380 1.00 0.51 O ATOM 1573 CB TYR A 109 -4.507 -1.389 4.230 1.00 0.58 C ATOM 1574 CG TYR A 109 -5.278 -0.738 3.097 1.00 0.57 C ATOM 1575 CD1 TYR A 109 -4.612 -0.107 2.055 1.00 0.98 C ATOM 1576 CD2 TYR A 109 -6.661 -0.750 3.069 1.00 1.25 C ATOM 1577 CE1 TYR A 109 -5.302 0.484 1.016 1.00 1.13 C ATOM 1578 CE2 TYR A 109 -7.361 -0.157 2.037 1.00 1.39 C ATOM 1579 CZ TYR A 109 -6.706 0.452 1.029 1.00 0.99 C ATOM 1580 OH TYR A 109 -7.373 1.032 -0.022 1.00 1.28 O ATOM 0 H TYR A 109 -2.763 -1.364 6.584 1.00 0.52 H new ATOM 0 HA TYR A 109 -2.617 -0.477 3.770 1.00 0.49 H new ATOM 0 HB2 TYR A 109 -4.248 -2.405 3.933 1.00 0.58 H new ATOM 0 HB3 TYR A 109 -5.165 -1.468 5.095 1.00 0.58 H new ATOM 0 HD1 TYR A 109 -3.532 -0.078 2.057 1.00 0.98 H new ATOM 0 HD2 TYR A 109 -7.203 -1.232 3.869 1.00 1.25 H new ATOM 0 HE1 TYR A 109 -4.771 0.963 0.207 1.00 1.13 H new ATOM 0 HE2 TYR A 109 -8.441 -0.181 2.038 1.00 1.39 H new ATOM 0 HH TYR A 109 -8.339 0.938 0.112 1.00 1.28 H new ATOM 1590 N GLY A 110 -3.078 1.781 4.688 1.00 0.45 N ATOM 1591 CA GLY A 110 -3.218 3.087 5.315 1.00 0.48 C ATOM 1592 C GLY A 110 -3.524 4.198 4.329 1.00 0.52 C ATOM 1593 O GLY A 110 -2.717 4.510 3.462 1.00 0.85 O ATOM 0 H GLY A 110 -2.634 1.786 3.770 1.00 0.45 H new ATOM 0 HA2 GLY A 110 -4.014 3.042 6.058 1.00 0.48 H new ATOM 0 HA3 GLY A 110 -2.298 3.327 5.847 1.00 0.48 H new ATOM 1597 N VAL A 111 -4.680 4.820 4.483 1.00 0.44 N ATOM 1598 CA VAL A 111 -5.112 5.860 3.559 1.00 0.50 C ATOM 1599 C VAL A 111 -4.643 7.225 4.047 1.00 0.50 C ATOM 1600 O VAL A 111 -4.909 7.599 5.189 1.00 0.52 O ATOM 1601 CB VAL A 111 -6.649 5.875 3.390 1.00 0.64 C ATOM 1602 CG1 VAL A 111 -7.063 6.872 2.317 1.00 1.25 C ATOM 1603 CG2 VAL A 111 -7.168 4.483 3.056 1.00 1.53 C ATOM 0 H VAL A 111 -5.338 4.625 5.238 1.00 0.44 H new ATOM 0 HA VAL A 111 -4.665 5.640 2.589 1.00 0.50 H new ATOM 0 HB VAL A 111 -7.091 6.187 4.336 1.00 0.64 H new ATOM 0 HG11 VAL A 111 -8.148 6.866 2.214 1.00 1.25 H new ATOM 0 HG12 VAL A 111 -6.730 7.871 2.600 1.00 1.25 H new ATOM 0 HG13 VAL A 111 -6.607 6.594 1.367 1.00 1.25 H new ATOM 0 HG21 VAL A 111 -8.251 4.516 2.941 1.00 1.53 H new ATOM 0 HG22 VAL A 111 -6.715 4.139 2.126 1.00 1.53 H new ATOM 0 HG23 VAL A 111 -6.909 3.795 3.861 1.00 1.53 H new ATOM 1613 N ASN A 112 -3.953 7.957 3.168 1.00 0.53 N ATOM 1614 CA ASN A 112 -3.368 9.265 3.490 1.00 0.60 C ATOM 1615 C ASN A 112 -2.161 9.136 4.407 1.00 0.56 C ATOM 1616 O ASN A 112 -1.756 10.102 5.047 1.00 0.69 O ATOM 1617 CB ASN A 112 -4.393 10.227 4.107 1.00 0.69 C ATOM 1618 CG ASN A 112 -5.290 10.859 3.068 1.00 0.79 C ATOM 1619 OD1 ASN A 112 -4.918 11.845 2.431 1.00 1.07 O ATOM 1620 ND2 ASN A 112 -6.487 10.320 2.909 1.00 1.16 N ATOM 0 H ASN A 112 -3.783 7.659 2.208 1.00 0.53 H new ATOM 0 HA ASN A 112 -3.038 9.687 2.540 1.00 0.60 H new ATOM 0 HB2 ASN A 112 -5.004 9.687 4.830 1.00 0.69 H new ATOM 0 HB3 ASN A 112 -3.868 11.010 4.654 1.00 0.69 H new ATOM 0 HD21 ASN A 112 -7.142 10.721 2.238 1.00 1.16 H new ATOM 0 HD22 ASN A 112 -6.755 9.503 3.457 1.00 1.16 H new ATOM 1627 N ILE A 113 -1.584 7.948 4.455 1.00 0.54 N ATOM 1628 CA ILE A 113 -0.335 7.749 5.173 1.00 0.54 C ATOM 1629 C ILE A 113 0.836 8.061 4.251 1.00 0.60 C ATOM 1630 O ILE A 113 0.888 7.589 3.117 1.00 0.73 O ATOM 1631 CB ILE A 113 -0.198 6.304 5.737 1.00 0.58 C ATOM 1632 CG1 ILE A 113 -0.924 6.167 7.081 1.00 0.77 C ATOM 1633 CG2 ILE A 113 1.266 5.910 5.900 1.00 0.76 C ATOM 1634 CD1 ILE A 113 -2.424 6.336 7.001 1.00 0.83 C ATOM 0 H ILE A 113 -1.957 7.110 4.008 1.00 0.54 H new ATOM 0 HA ILE A 113 -0.333 8.428 6.026 1.00 0.54 H new ATOM 0 HB ILE A 113 -0.661 5.630 5.016 1.00 0.58 H new ATOM 0 HG12 ILE A 113 -0.703 5.186 7.501 1.00 0.77 H new ATOM 0 HG13 ILE A 113 -0.524 6.908 7.773 1.00 0.77 H new ATOM 0 HG21 ILE A 113 1.328 4.896 6.296 1.00 0.76 H new ATOM 0 HG22 ILE A 113 1.764 5.953 4.932 1.00 0.76 H new ATOM 0 HG23 ILE A 113 1.754 6.599 6.590 1.00 0.76 H new ATOM 0 HD11 ILE A 113 -2.856 6.224 7.995 1.00 0.83 H new ATOM 0 HD12 ILE A 113 -2.658 7.327 6.613 1.00 0.83 H new ATOM 0 HD13 ILE A 113 -2.841 5.579 6.337 1.00 0.83 H new ATOM 1646 N SER A 114 1.747 8.888 4.723 1.00 0.60 N ATOM 1647 CA SER A 114 2.964 9.177 3.991 1.00 0.70 C ATOM 1648 C SER A 114 4.167 8.914 4.884 1.00 0.67 C ATOM 1649 O SER A 114 4.402 9.633 5.860 1.00 0.77 O ATOM 1650 CB SER A 114 2.957 10.620 3.492 1.00 0.83 C ATOM 1651 OG SER A 114 1.919 10.824 2.544 1.00 1.58 O ATOM 0 H SER A 114 1.667 9.375 5.616 1.00 0.60 H new ATOM 0 HA SER A 114 3.025 8.525 3.120 1.00 0.70 H new ATOM 0 HB2 SER A 114 2.825 11.299 4.334 1.00 0.83 H new ATOM 0 HB3 SER A 114 3.920 10.857 3.040 1.00 0.83 H new ATOM 0 HG SER A 114 2.027 10.195 1.800 1.00 1.58 H new ATOM 1657 N GLY A 115 4.906 7.868 4.559 1.00 0.70 N ATOM 1658 CA GLY A 115 5.993 7.431 5.409 1.00 0.70 C ATOM 1659 C GLY A 115 5.990 5.932 5.558 1.00 0.70 C ATOM 1660 O GLY A 115 6.044 5.406 6.671 1.00 0.75 O ATOM 0 H GLY A 115 4.772 7.309 3.716 1.00 0.70 H new ATOM 0 HA2 GLY A 115 6.944 7.757 4.987 1.00 0.70 H new ATOM 0 HA3 GLY A 115 5.903 7.898 6.390 1.00 0.70 H new ATOM 1664 N GLU A 116 5.913 5.253 4.423 1.00 0.73 N ATOM 1665 CA GLU A 116 5.827 3.807 4.356 1.00 0.77 C ATOM 1666 C GLU A 116 6.945 3.112 5.129 1.00 0.75 C ATOM 1667 O GLU A 116 6.768 1.992 5.608 1.00 0.84 O ATOM 1668 CB GLU A 116 5.855 3.368 2.897 1.00 0.82 C ATOM 1669 CG GLU A 116 4.620 3.755 2.114 1.00 0.97 C ATOM 1670 CD GLU A 116 4.761 5.113 1.463 1.00 1.60 C ATOM 1671 OE1 GLU A 116 4.790 6.124 2.195 1.00 2.30 O ATOM 1672 OE2 GLU A 116 4.858 5.163 0.215 1.00 2.05 O ATOM 0 H GLU A 116 5.909 5.703 3.507 1.00 0.73 H new ATOM 0 HA GLU A 116 4.888 3.513 4.825 1.00 0.77 H new ATOM 0 HB2 GLU A 116 6.730 3.803 2.414 1.00 0.82 H new ATOM 0 HB3 GLU A 116 5.974 2.285 2.856 1.00 0.82 H new ATOM 0 HG2 GLU A 116 4.427 3.004 1.348 1.00 0.97 H new ATOM 0 HG3 GLU A 116 3.757 3.760 2.779 1.00 0.97 H new ATOM 1679 N ASN A 117 8.086 3.777 5.254 1.00 0.67 N ATOM 1680 CA ASN A 117 9.227 3.225 5.984 1.00 0.67 C ATOM 1681 C ASN A 117 8.831 2.819 7.402 1.00 0.69 C ATOM 1682 O ASN A 117 9.395 1.883 7.966 1.00 0.75 O ATOM 1683 CB ASN A 117 10.373 4.238 6.050 1.00 0.71 C ATOM 1684 CG ASN A 117 10.766 4.765 4.687 1.00 1.03 C ATOM 1685 OD1 ASN A 117 10.242 5.780 4.230 1.00 1.95 O ATOM 1686 ND2 ASN A 117 11.687 4.084 4.025 1.00 0.96 N ATOM 0 H ASN A 117 8.249 4.703 4.859 1.00 0.67 H new ATOM 0 HA ASN A 117 9.560 2.339 5.443 1.00 0.67 H new ATOM 0 HB2 ASN A 117 10.079 5.072 6.687 1.00 0.71 H new ATOM 0 HB3 ASN A 117 11.239 3.770 6.518 1.00 0.71 H new ATOM 0 HD21 ASN A 117 11.986 4.396 3.101 1.00 0.96 H new ATOM 0 HD22 ASN A 117 12.098 3.247 4.438 1.00 0.96 H new ATOM 1693 N ASN A 118 7.857 3.528 7.967 1.00 0.70 N ATOM 1694 CA ASN A 118 7.336 3.208 9.291 1.00 0.80 C ATOM 1695 C ASN A 118 5.886 3.686 9.412 1.00 0.82 C ATOM 1696 O ASN A 118 5.597 4.697 10.057 1.00 1.00 O ATOM 1697 CB ASN A 118 8.210 3.834 10.388 1.00 0.90 C ATOM 1698 CG ASN A 118 7.822 3.378 11.787 1.00 1.75 C ATOM 1699 OD1 ASN A 118 7.318 2.273 11.981 1.00 2.60 O ATOM 1700 ND2 ASN A 118 8.066 4.228 12.774 1.00 2.33 N ATOM 0 H ASN A 118 7.411 4.332 7.525 1.00 0.70 H new ATOM 0 HA ASN A 118 7.360 2.126 9.423 1.00 0.80 H new ATOM 0 HB2 ASN A 118 9.253 3.578 10.204 1.00 0.90 H new ATOM 0 HB3 ASN A 118 8.133 4.920 10.331 1.00 0.90 H new ATOM 0 HD21 ASN A 118 7.834 3.974 13.734 1.00 2.33 H new ATOM 0 HD22 ASN A 118 8.485 5.136 12.573 1.00 2.33 H new ATOM 1707 N ILE A 119 4.986 2.966 8.746 1.00 0.78 N ATOM 1708 CA ILE A 119 3.566 3.302 8.733 1.00 0.87 C ATOM 1709 C ILE A 119 2.955 3.200 10.139 1.00 0.71 C ATOM 1710 O ILE A 119 3.396 2.400 10.967 1.00 0.73 O ATOM 1711 CB ILE A 119 2.796 2.394 7.738 1.00 1.22 C ATOM 1712 CG1 ILE A 119 1.298 2.726 7.721 1.00 1.45 C ATOM 1713 CG2 ILE A 119 3.016 0.928 8.075 1.00 1.38 C ATOM 1714 CD1 ILE A 119 0.516 1.968 6.666 1.00 2.02 C ATOM 0 H ILE A 119 5.221 2.136 8.202 1.00 0.78 H new ATOM 0 HA ILE A 119 3.473 4.336 8.401 1.00 0.87 H new ATOM 0 HB ILE A 119 3.189 2.585 6.739 1.00 1.22 H new ATOM 0 HG12 ILE A 119 0.875 2.506 8.701 1.00 1.45 H new ATOM 0 HG13 ILE A 119 1.174 3.796 7.553 1.00 1.45 H new ATOM 0 HG21 ILE A 119 2.469 0.306 7.367 1.00 1.38 H new ATOM 0 HG22 ILE A 119 4.079 0.696 8.015 1.00 1.38 H new ATOM 0 HG23 ILE A 119 2.658 0.729 9.085 1.00 1.38 H new ATOM 0 HD11 ILE A 119 -0.534 2.255 6.715 1.00 2.02 H new ATOM 0 HD12 ILE A 119 0.911 2.206 5.679 1.00 2.02 H new ATOM 0 HD13 ILE A 119 0.608 0.897 6.845 1.00 2.02 H new ATOM 1726 N THR A 120 1.948 4.032 10.391 1.00 0.70 N ATOM 1727 CA THR A 120 1.296 4.119 11.694 1.00 0.64 C ATOM 1728 C THR A 120 0.555 2.821 12.054 1.00 0.56 C ATOM 1729 O THR A 120 0.468 1.890 11.246 1.00 0.54 O ATOM 1730 CB THR A 120 0.315 5.316 11.725 1.00 0.79 C ATOM 1731 OG1 THR A 120 -0.217 5.511 13.044 1.00 1.59 O ATOM 1732 CG2 THR A 120 -0.826 5.112 10.739 1.00 1.33 C ATOM 0 H THR A 120 1.560 4.667 9.694 1.00 0.70 H new ATOM 0 HA THR A 120 2.077 4.271 12.439 1.00 0.64 H new ATOM 0 HB THR A 120 0.876 6.205 11.436 1.00 0.79 H new ATOM 0 HG1 THR A 120 -0.833 6.274 13.039 1.00 1.59 H new ATOM 0 HG21 THR A 120 -1.500 5.967 10.781 1.00 1.33 H new ATOM 0 HG22 THR A 120 -0.423 5.017 9.731 1.00 1.33 H new ATOM 0 HG23 THR A 120 -1.373 4.205 10.998 1.00 1.33 H new ATOM 1740 N SER A 121 0.042 2.768 13.277 1.00 0.57 N ATOM 1741 CA SER A 121 -0.662 1.599 13.782 1.00 0.55 C ATOM 1742 C SER A 121 -1.952 1.344 12.994 1.00 0.52 C ATOM 1743 O SER A 121 -2.546 2.270 12.434 1.00 0.57 O ATOM 1744 CB SER A 121 -0.973 1.795 15.265 1.00 0.65 C ATOM 1745 OG SER A 121 0.197 2.137 15.991 1.00 1.27 O ATOM 0 H SER A 121 0.103 3.536 13.946 1.00 0.57 H new ATOM 0 HA SER A 121 -0.022 0.726 13.657 1.00 0.55 H new ATOM 0 HB2 SER A 121 -1.720 2.580 15.382 1.00 0.65 H new ATOM 0 HB3 SER A 121 -1.404 0.881 15.673 1.00 0.65 H new ATOM 0 HG SER A 121 -0.029 2.259 16.937 1.00 1.27 H new ATOM 1751 N PHE A 122 -2.385 0.090 12.970 1.00 0.49 N ATOM 1752 CA PHE A 122 -3.510 -0.320 12.145 1.00 0.50 C ATOM 1753 C PHE A 122 -4.757 -0.572 12.988 1.00 0.53 C ATOM 1754 O PHE A 122 -4.669 -0.994 14.143 1.00 0.68 O ATOM 1755 CB PHE A 122 -3.152 -1.594 11.378 1.00 0.52 C ATOM 1756 CG PHE A 122 -1.869 -1.502 10.603 1.00 0.52 C ATOM 1757 CD1 PHE A 122 -1.839 -0.910 9.350 1.00 0.53 C ATOM 1758 CD2 PHE A 122 -0.692 -2.014 11.125 1.00 0.61 C ATOM 1759 CE1 PHE A 122 -0.661 -0.828 8.636 1.00 0.59 C ATOM 1760 CE2 PHE A 122 0.489 -1.933 10.415 1.00 0.66 C ATOM 1761 CZ PHE A 122 0.504 -1.340 9.168 1.00 0.63 C ATOM 0 H PHE A 122 -1.970 -0.664 13.517 1.00 0.49 H new ATOM 0 HA PHE A 122 -3.725 0.489 11.447 1.00 0.50 H new ATOM 0 HB2 PHE A 122 -3.080 -2.422 12.083 1.00 0.52 H new ATOM 0 HB3 PHE A 122 -3.963 -1.831 10.690 1.00 0.52 H new ATOM 0 HD1 PHE A 122 -2.748 -0.508 8.928 1.00 0.53 H new ATOM 0 HD2 PHE A 122 -0.699 -2.482 12.098 1.00 0.61 H new ATOM 0 HE1 PHE A 122 -0.651 -0.363 7.661 1.00 0.59 H new ATOM 0 HE2 PHE A 122 1.400 -2.333 10.834 1.00 0.66 H new ATOM 0 HZ PHE A 122 1.427 -1.277 8.610 1.00 0.63 H new ATOM 1771 N GLY A 123 -5.915 -0.300 12.400 1.00 0.53 N ATOM 1772 CA GLY A 123 -7.182 -0.588 13.043 1.00 0.60 C ATOM 1773 C GLY A 123 -8.228 -1.052 12.048 1.00 0.67 C ATOM 1774 O GLY A 123 -8.005 -2.007 11.311 1.00 1.24 O ATOM 0 H GLY A 123 -5.998 0.121 11.475 1.00 0.53 H new ATOM 0 HA2 GLY A 123 -7.037 -1.356 13.803 1.00 0.60 H new ATOM 0 HA3 GLY A 123 -7.540 0.304 13.556 1.00 0.60 H new ATOM 1778 N ASN A 124 -9.362 -0.362 12.004 1.00 0.58 N ATOM 1779 CA ASN A 124 -10.443 -0.714 11.080 1.00 0.60 C ATOM 1780 C ASN A 124 -11.158 0.537 10.584 1.00 0.61 C ATOM 1781 O ASN A 124 -12.378 0.553 10.414 1.00 0.99 O ATOM 1782 CB ASN A 124 -11.443 -1.669 11.746 1.00 0.81 C ATOM 1783 CG ASN A 124 -10.941 -3.104 11.801 1.00 1.83 C ATOM 1784 OD1 ASN A 124 -10.331 -3.529 12.785 1.00 2.63 O ATOM 1785 ND2 ASN A 124 -11.192 -3.859 10.741 1.00 2.45 N ATOM 0 H ASN A 124 -9.560 0.445 12.596 1.00 0.58 H new ATOM 0 HA ASN A 124 -10.000 -1.222 10.224 1.00 0.60 H new ATOM 0 HB2 ASN A 124 -11.650 -1.322 12.758 1.00 0.81 H new ATOM 0 HB3 ASN A 124 -12.386 -1.639 11.200 1.00 0.81 H new ATOM 0 HD21 ASN A 124 -10.877 -4.829 10.720 1.00 2.45 H new ATOM 0 HD22 ASN A 124 -11.700 -3.470 9.947 1.00 2.45 H new ATOM 1792 N SER A 125 -10.381 1.584 10.358 1.00 0.51 N ATOM 1793 CA SER A 125 -10.889 2.827 9.804 1.00 0.55 C ATOM 1794 C SER A 125 -9.793 3.464 8.954 1.00 0.49 C ATOM 1795 O SER A 125 -8.649 2.995 8.955 1.00 0.64 O ATOM 1796 CB SER A 125 -11.333 3.768 10.930 1.00 0.73 C ATOM 1797 OG SER A 125 -11.932 4.948 10.418 1.00 1.33 O ATOM 0 H SER A 125 -9.380 1.595 10.554 1.00 0.51 H new ATOM 0 HA SER A 125 -11.760 2.631 9.179 1.00 0.55 H new ATOM 0 HB2 SER A 125 -12.041 3.252 11.579 1.00 0.73 H new ATOM 0 HB3 SER A 125 -10.472 4.033 11.544 1.00 0.73 H new ATOM 0 HG SER A 125 -12.205 5.525 11.161 1.00 1.33 H new ATOM 1803 N ALA A 126 -10.122 4.524 8.236 1.00 0.61 N ATOM 1804 CA ALA A 126 -9.204 5.098 7.265 1.00 0.57 C ATOM 1805 C ALA A 126 -9.060 6.608 7.440 1.00 0.73 C ATOM 1806 O ALA A 126 -9.586 7.175 8.399 1.00 1.25 O ATOM 1807 CB ALA A 126 -9.668 4.778 5.858 1.00 0.62 C ATOM 0 H ALA A 126 -11.018 5.006 8.307 1.00 0.61 H new ATOM 0 HA ALA A 126 -8.224 4.653 7.435 1.00 0.57 H new ATOM 0 HB1 ALA A 126 -8.974 5.212 5.138 1.00 0.62 H new ATOM 0 HB2 ALA A 126 -9.702 3.697 5.723 1.00 0.62 H new ATOM 0 HB3 ALA A 126 -10.663 5.194 5.699 1.00 0.62 H new ATOM 1813 N ASP A 127 -8.310 7.226 6.518 1.00 0.96 N ATOM 1814 CA ASP A 127 -8.120 8.682 6.473 1.00 1.08 C ATOM 1815 C ASP A 127 -7.172 9.146 7.578 1.00 0.90 C ATOM 1816 O ASP A 127 -7.582 9.370 8.716 1.00 1.34 O ATOM 1817 CB ASP A 127 -9.465 9.419 6.553 1.00 1.42 C ATOM 1818 CG ASP A 127 -9.311 10.927 6.502 1.00 1.53 C ATOM 1819 OD1 ASP A 127 -9.009 11.461 5.414 1.00 2.08 O ATOM 1820 OD2 ASP A 127 -9.511 11.586 7.545 1.00 1.40 O ATOM 0 H ASP A 127 -7.815 6.727 5.778 1.00 0.96 H new ATOM 0 HA ASP A 127 -7.663 8.929 5.515 1.00 1.08 H new ATOM 0 HB2 ASP A 127 -10.102 9.095 5.730 1.00 1.42 H new ATOM 0 HB3 ASP A 127 -9.972 9.141 7.477 1.00 1.42 H new ATOM 1825 N GLN A 128 -5.885 9.231 7.224 1.00 0.95 N ATOM 1826 CA GLN A 128 -4.815 9.602 8.159 1.00 0.92 C ATOM 1827 C GLN A 128 -4.638 8.524 9.225 1.00 0.83 C ATOM 1828 O GLN A 128 -3.878 8.683 10.181 1.00 1.02 O ATOM 1829 CB GLN A 128 -5.075 10.969 8.797 1.00 1.02 C ATOM 1830 CG GLN A 128 -5.001 12.120 7.808 1.00 1.17 C ATOM 1831 CD GLN A 128 -5.263 13.463 8.456 1.00 1.60 C ATOM 1832 OE1 GLN A 128 -6.403 13.917 8.525 1.00 1.72 O ATOM 1833 NE2 GLN A 128 -4.212 14.104 8.941 1.00 2.54 N ATOM 0 H GLN A 128 -5.554 9.044 6.277 1.00 0.95 H new ATOM 0 HA GLN A 128 -3.887 9.680 7.592 1.00 0.92 H new ATOM 0 HB2 GLN A 128 -6.060 10.963 9.263 1.00 1.02 H new ATOM 0 HB3 GLN A 128 -4.348 11.135 9.592 1.00 1.02 H new ATOM 0 HG2 GLN A 128 -4.015 12.131 7.343 1.00 1.17 H new ATOM 0 HG3 GLN A 128 -5.727 11.957 7.012 1.00 1.17 H new ATOM 0 HE21 GLN A 128 -3.282 13.692 8.863 1.00 2.54 H new ATOM 0 HE22 GLN A 128 -4.331 15.011 9.393 1.00 2.54 H new ATOM 1842 N ALA A 129 -5.329 7.412 9.022 1.00 0.65 N ATOM 1843 CA ALA A 129 -5.245 6.275 9.905 1.00 0.63 C ATOM 1844 C ALA A 129 -5.107 5.005 9.085 1.00 0.52 C ATOM 1845 O ALA A 129 -5.606 4.922 7.954 1.00 0.47 O ATOM 1846 CB ALA A 129 -6.474 6.205 10.800 1.00 0.69 C ATOM 0 H ALA A 129 -5.964 7.280 8.235 1.00 0.65 H new ATOM 0 HA ALA A 129 -4.368 6.382 10.544 1.00 0.63 H new ATOM 0 HB1 ALA A 129 -6.395 5.341 11.460 1.00 0.69 H new ATOM 0 HB2 ALA A 129 -6.541 7.114 11.398 1.00 0.69 H new ATOM 0 HB3 ALA A 129 -7.368 6.110 10.184 1.00 0.69 H new ATOM 1852 N ALA A 130 -4.414 4.031 9.638 1.00 0.54 N ATOM 1853 CA ALA A 130 -4.223 2.768 8.963 1.00 0.50 C ATOM 1854 C ALA A 130 -5.149 1.716 9.553 1.00 0.47 C ATOM 1855 O ALA A 130 -5.575 1.828 10.703 1.00 0.53 O ATOM 1856 CB ALA A 130 -2.770 2.332 9.070 1.00 0.58 C ATOM 0 H ALA A 130 -3.973 4.092 10.556 1.00 0.54 H new ATOM 0 HA ALA A 130 -4.467 2.887 7.907 1.00 0.50 H new ATOM 0 HB1 ALA A 130 -2.637 1.379 8.558 1.00 0.58 H new ATOM 0 HB2 ALA A 130 -2.130 3.084 8.609 1.00 0.58 H new ATOM 0 HB3 ALA A 130 -2.500 2.220 10.120 1.00 0.58 H new ATOM 1862 N LYS A 131 -5.466 0.703 8.767 1.00 0.43 N ATOM 1863 CA LYS A 131 -6.304 -0.389 9.231 1.00 0.44 C ATOM 1864 C LYS A 131 -5.598 -1.708 8.955 1.00 0.45 C ATOM 1865 O LYS A 131 -4.774 -1.800 8.043 1.00 0.49 O ATOM 1866 CB LYS A 131 -7.694 -0.360 8.568 1.00 0.49 C ATOM 1867 CG LYS A 131 -7.728 -0.923 7.153 1.00 0.58 C ATOM 1868 CD LYS A 131 -7.035 -0.005 6.167 1.00 0.62 C ATOM 1869 CE LYS A 131 -7.983 1.022 5.567 1.00 0.89 C ATOM 1870 NZ LYS A 131 -8.771 1.733 6.599 1.00 1.43 N ATOM 0 H LYS A 131 -5.154 0.613 7.800 1.00 0.43 H new ATOM 0 HA LYS A 131 -6.464 -0.278 10.304 1.00 0.44 H new ATOM 0 HB2 LYS A 131 -8.391 -0.925 9.188 1.00 0.49 H new ATOM 0 HB3 LYS A 131 -8.051 0.670 8.545 1.00 0.49 H new ATOM 0 HG2 LYS A 131 -7.247 -1.901 7.139 1.00 0.58 H new ATOM 0 HG3 LYS A 131 -8.763 -1.072 6.846 1.00 0.58 H new ATOM 0 HD2 LYS A 131 -6.216 0.510 6.668 1.00 0.62 H new ATOM 0 HD3 LYS A 131 -6.595 -0.601 5.367 1.00 0.62 H new ATOM 0 HE2 LYS A 131 -7.410 1.746 4.988 1.00 0.89 H new ATOM 0 HE3 LYS A 131 -8.662 0.525 4.874 1.00 0.89 H new ATOM 0 HZ1 LYS A 131 -9.495 2.321 6.139 1.00 1.43 H new ATOM 0 HZ2 LYS A 131 -9.233 1.040 7.222 1.00 1.43 H new ATOM 0 HZ3 LYS A 131 -8.140 2.338 7.162 1.00 1.43 H new ATOM 1884 N SER A 132 -5.899 -2.715 9.753 1.00 0.49 N ATOM 1885 CA SER A 132 -5.224 -3.994 9.644 1.00 0.59 C ATOM 1886 C SER A 132 -5.926 -4.920 8.652 1.00 0.68 C ATOM 1887 O SER A 132 -5.306 -5.837 8.112 1.00 0.97 O ATOM 1888 CB SER A 132 -5.122 -4.640 11.028 1.00 0.69 C ATOM 1889 OG SER A 132 -6.226 -4.280 11.843 1.00 1.43 O ATOM 0 H SER A 132 -6.608 -2.672 10.485 1.00 0.49 H new ATOM 0 HA SER A 132 -4.219 -3.823 9.258 1.00 0.59 H new ATOM 0 HB2 SER A 132 -5.081 -5.724 10.924 1.00 0.69 H new ATOM 0 HB3 SER A 132 -4.194 -4.331 11.510 1.00 0.69 H new ATOM 0 HG SER A 132 -6.138 -4.707 12.721 1.00 1.43 H new ATOM 1895 N THR A 133 -7.210 -4.675 8.407 1.00 0.72 N ATOM 1896 CA THR A 133 -7.976 -5.494 7.478 1.00 0.93 C ATOM 1897 C THR A 133 -8.942 -4.650 6.656 1.00 0.69 C ATOM 1898 O THR A 133 -9.451 -3.633 7.128 1.00 1.11 O ATOM 1899 CB THR A 133 -8.789 -6.579 8.215 1.00 1.84 C ATOM 1900 OG1 THR A 133 -9.470 -6.004 9.336 1.00 2.38 O ATOM 1901 CG2 THR A 133 -7.899 -7.723 8.683 1.00 2.26 C ATOM 0 H THR A 133 -7.739 -3.917 8.839 1.00 0.72 H new ATOM 0 HA THR A 133 -7.249 -5.967 6.818 1.00 0.93 H new ATOM 0 HB THR A 133 -9.518 -6.984 7.513 1.00 1.84 H new ATOM 0 HG1 THR A 133 -9.985 -6.699 9.797 1.00 2.38 H new ATOM 0 HG21 THR A 133 -8.505 -8.468 9.198 1.00 2.26 H new ATOM 0 HG22 THR A 133 -7.413 -8.182 7.822 1.00 2.26 H new ATOM 0 HG23 THR A 133 -7.141 -7.338 9.365 1.00 2.26 H new ATOM 1909 N ALA A 134 -9.172 -5.068 5.419 1.00 0.82 N ATOM 1910 CA ALA A 134 -10.211 -4.484 4.596 1.00 1.50 C ATOM 1911 C ALA A 134 -11.150 -5.584 4.135 1.00 1.30 C ATOM 1912 O ALA A 134 -10.697 -6.652 3.724 1.00 1.86 O ATOM 1913 CB ALA A 134 -9.614 -3.735 3.415 1.00 2.33 C ATOM 0 H ALA A 134 -8.647 -5.815 4.965 1.00 0.82 H new ATOM 0 HA ALA A 134 -10.773 -3.757 5.182 1.00 1.50 H new ATOM 0 HB1 ALA A 134 -10.415 -3.306 2.813 1.00 2.33 H new ATOM 0 HB2 ALA A 134 -8.967 -2.937 3.780 1.00 2.33 H new ATOM 0 HB3 ALA A 134 -9.031 -4.424 2.804 1.00 2.33 H new ATOM 1919 N ILE A 135 -12.448 -5.334 4.248 1.00 0.99 N ATOM 1920 CA ILE A 135 -13.457 -6.334 3.915 1.00 0.96 C ATOM 1921 C ILE A 135 -14.851 -5.791 4.251 1.00 1.21 C ATOM 1922 O ILE A 135 -15.832 -6.534 4.347 1.00 2.09 O ATOM 1923 CB ILE A 135 -13.193 -7.649 4.703 1.00 1.26 C ATOM 1924 CG1 ILE A 135 -14.014 -8.813 4.144 1.00 1.57 C ATOM 1925 CG2 ILE A 135 -13.478 -7.461 6.190 1.00 1.67 C ATOM 1926 CD1 ILE A 135 -13.591 -9.238 2.758 1.00 1.72 C ATOM 0 H ILE A 135 -12.829 -4.444 4.569 1.00 0.99 H new ATOM 0 HA ILE A 135 -13.403 -6.551 2.848 1.00 0.96 H new ATOM 0 HB ILE A 135 -12.138 -7.895 4.582 1.00 1.26 H new ATOM 0 HG12 ILE A 135 -13.928 -9.665 4.819 1.00 1.57 H new ATOM 0 HG13 ILE A 135 -15.066 -8.528 4.123 1.00 1.57 H new ATOM 0 HG21 ILE A 135 -13.286 -8.395 6.718 1.00 1.67 H new ATOM 0 HG22 ILE A 135 -12.832 -6.679 6.588 1.00 1.67 H new ATOM 0 HG23 ILE A 135 -14.521 -7.175 6.327 1.00 1.67 H new ATOM 0 HD11 ILE A 135 -14.216 -10.067 2.425 1.00 1.72 H new ATOM 0 HD12 ILE A 135 -13.704 -8.400 2.070 1.00 1.72 H new ATOM 0 HD13 ILE A 135 -12.548 -9.554 2.777 1.00 1.72 H new ATOM 1938 N THR A 136 -14.940 -4.478 4.395 1.00 1.18 N ATOM 1939 CA THR A 136 -16.132 -3.857 4.935 1.00 1.62 C ATOM 1940 C THR A 136 -16.590 -2.688 4.062 1.00 1.09 C ATOM 1941 O THR A 136 -15.793 -1.816 3.714 1.00 1.00 O ATOM 1942 CB THR A 136 -15.862 -3.354 6.370 1.00 2.43 C ATOM 1943 OG1 THR A 136 -15.303 -4.410 7.163 1.00 3.11 O ATOM 1944 CG2 THR A 136 -17.135 -2.840 7.025 1.00 3.17 C ATOM 0 H THR A 136 -14.198 -3.824 4.144 1.00 1.18 H new ATOM 0 HA THR A 136 -16.923 -4.607 4.951 1.00 1.62 H new ATOM 0 HB THR A 136 -15.153 -2.528 6.308 1.00 2.43 H new ATOM 0 HG1 THR A 136 -15.133 -4.083 8.071 1.00 3.11 H new ATOM 0 HG21 THR A 136 -16.911 -2.493 8.034 1.00 3.17 H new ATOM 0 HG22 THR A 136 -17.538 -2.014 6.439 1.00 3.17 H new ATOM 0 HG23 THR A 136 -17.870 -3.644 7.072 1.00 3.17 H new ATOM 1952 N PRO A 137 -17.880 -2.663 3.686 1.00 1.02 N ATOM 1953 CA PRO A 137 -18.470 -1.550 2.934 1.00 1.06 C ATOM 1954 C PRO A 137 -18.294 -0.208 3.652 1.00 0.97 C ATOM 1955 O PRO A 137 -18.112 0.829 3.013 1.00 1.12 O ATOM 1956 CB PRO A 137 -19.952 -1.923 2.839 1.00 1.46 C ATOM 1957 CG PRO A 137 -19.988 -3.403 3.009 1.00 1.55 C ATOM 1958 CD PRO A 137 -18.857 -3.741 3.937 1.00 1.31 C ATOM 0 HA PRO A 137 -17.994 -1.416 1.963 1.00 1.06 H new ATOM 0 HB2 PRO A 137 -20.535 -1.423 3.612 1.00 1.46 H new ATOM 0 HB3 PRO A 137 -20.373 -1.626 1.879 1.00 1.46 H new ATOM 0 HG2 PRO A 137 -20.943 -3.725 3.424 1.00 1.55 H new ATOM 0 HG3 PRO A 137 -19.871 -3.909 2.051 1.00 1.55 H new ATOM 0 HD2 PRO A 137 -19.181 -3.756 4.978 1.00 1.31 H new ATOM 0 HD3 PRO A 137 -18.437 -4.723 3.719 1.00 1.31 H new ATOM 1966 N ALA A 138 -18.352 -0.234 4.982 1.00 1.04 N ATOM 1967 CA ALA A 138 -18.099 0.960 5.785 1.00 1.16 C ATOM 1968 C ALA A 138 -16.687 1.487 5.537 1.00 0.92 C ATOM 1969 O ALA A 138 -16.490 2.681 5.309 1.00 0.97 O ATOM 1970 CB ALA A 138 -18.293 0.662 7.263 1.00 1.54 C ATOM 0 H ALA A 138 -18.572 -1.068 5.526 1.00 1.04 H new ATOM 0 HA ALA A 138 -18.814 1.726 5.487 1.00 1.16 H new ATOM 0 HB1 ALA A 138 -18.100 1.564 7.844 1.00 1.54 H new ATOM 0 HB2 ALA A 138 -19.317 0.331 7.436 1.00 1.54 H new ATOM 0 HB3 ALA A 138 -17.601 -0.123 7.570 1.00 1.54 H new ATOM 1976 N GLU A 139 -15.716 0.580 5.583 1.00 0.82 N ATOM 1977 CA GLU A 139 -14.323 0.896 5.291 1.00 0.81 C ATOM 1978 C GLU A 139 -14.192 1.556 3.914 1.00 0.71 C ATOM 1979 O GLU A 139 -13.472 2.539 3.751 1.00 0.80 O ATOM 1980 CB GLU A 139 -13.494 -0.391 5.359 1.00 0.97 C ATOM 1981 CG GLU A 139 -12.004 -0.189 5.153 1.00 1.27 C ATOM 1982 CD GLU A 139 -11.398 0.739 6.179 1.00 1.55 C ATOM 1983 OE1 GLU A 139 -11.396 1.968 5.956 1.00 1.90 O ATOM 1984 OE2 GLU A 139 -10.875 0.245 7.198 1.00 2.13 O ATOM 0 H GLU A 139 -15.874 -0.398 5.825 1.00 0.82 H new ATOM 0 HA GLU A 139 -13.951 1.604 6.031 1.00 0.81 H new ATOM 0 HB2 GLU A 139 -13.654 -0.861 6.330 1.00 0.97 H new ATOM 0 HB3 GLU A 139 -13.862 -1.086 4.604 1.00 0.97 H new ATOM 0 HG2 GLU A 139 -11.500 -1.154 5.199 1.00 1.27 H new ATOM 0 HG3 GLU A 139 -11.830 0.214 4.155 1.00 1.27 H new ATOM 1991 N ALA A 140 -14.927 1.033 2.935 1.00 0.71 N ATOM 1992 CA ALA A 140 -14.888 1.562 1.573 1.00 0.90 C ATOM 1993 C ALA A 140 -15.326 3.023 1.525 1.00 0.85 C ATOM 1994 O ALA A 140 -14.839 3.804 0.705 1.00 1.08 O ATOM 1995 CB ALA A 140 -15.758 0.715 0.654 1.00 1.09 C ATOM 0 H ALA A 140 -15.558 0.242 3.060 1.00 0.71 H new ATOM 0 HA ALA A 140 -13.856 1.516 1.227 1.00 0.90 H new ATOM 0 HB1 ALA A 140 -15.720 1.120 -0.357 1.00 1.09 H new ATOM 0 HB2 ALA A 140 -15.390 -0.311 0.648 1.00 1.09 H new ATOM 0 HB3 ALA A 140 -16.787 0.729 1.012 1.00 1.09 H new ATOM 2001 N ALA A 141 -16.240 3.390 2.409 1.00 0.71 N ATOM 2002 CA ALA A 141 -16.741 4.752 2.464 1.00 0.82 C ATOM 2003 C ALA A 141 -15.830 5.649 3.300 1.00 0.79 C ATOM 2004 O ALA A 141 -15.835 6.867 3.137 1.00 0.92 O ATOM 2005 CB ALA A 141 -18.153 4.772 3.019 1.00 0.95 C ATOM 0 H ALA A 141 -16.650 2.761 3.099 1.00 0.71 H new ATOM 0 HA ALA A 141 -16.753 5.144 1.447 1.00 0.82 H new ATOM 0 HB1 ALA A 141 -18.515 5.799 3.054 1.00 0.95 H new ATOM 0 HB2 ALA A 141 -18.805 4.179 2.377 1.00 0.95 H new ATOM 0 HB3 ALA A 141 -18.155 4.352 4.025 1.00 0.95 H new ATOM 2011 N THR A 142 -15.056 5.040 4.194 1.00 0.72 N ATOM 2012 CA THR A 142 -14.189 5.788 5.088 1.00 0.83 C ATOM 2013 C THR A 142 -12.823 6.042 4.443 1.00 0.97 C ATOM 2014 O THR A 142 -12.148 7.023 4.760 1.00 1.17 O ATOM 2015 CB THR A 142 -14.017 5.031 6.423 1.00 0.84 C ATOM 2016 OG1 THR A 142 -15.303 4.613 6.908 1.00 0.81 O ATOM 2017 CG2 THR A 142 -13.348 5.909 7.469 1.00 1.00 C ATOM 0 H THR A 142 -15.014 4.028 4.316 1.00 0.72 H new ATOM 0 HA THR A 142 -14.656 6.753 5.286 1.00 0.83 H new ATOM 0 HB THR A 142 -13.383 4.163 6.243 1.00 0.84 H new ATOM 0 HG1 THR A 142 -15.653 3.900 6.334 1.00 0.81 H new ATOM 0 HG21 THR A 142 -13.240 5.350 8.398 1.00 1.00 H new ATOM 0 HG22 THR A 142 -12.364 6.214 7.113 1.00 1.00 H new ATOM 0 HG23 THR A 142 -13.960 6.793 7.647 1.00 1.00 H new ATOM 2025 N ALA A 143 -12.432 5.154 3.530 1.00 0.97 N ATOM 2026 CA ALA A 143 -11.146 5.256 2.845 1.00 1.19 C ATOM 2027 C ALA A 143 -11.037 6.551 2.044 1.00 1.05 C ATOM 2028 O ALA A 143 -10.293 7.460 2.417 1.00 1.28 O ATOM 2029 CB ALA A 143 -10.935 4.047 1.940 1.00 1.42 C ATOM 0 H ALA A 143 -12.993 4.350 3.247 1.00 0.97 H new ATOM 0 HA ALA A 143 -10.363 5.273 3.603 1.00 1.19 H new ATOM 0 HB1 ALA A 143 -9.973 4.134 1.435 1.00 1.42 H new ATOM 0 HB2 ALA A 143 -10.949 3.137 2.540 1.00 1.42 H new ATOM 0 HB3 ALA A 143 -11.732 4.005 1.198 1.00 1.42 H new ATOM 2035 N CYS A 144 -11.789 6.639 0.958 1.00 0.87 N ATOM 2036 CA CYS A 144 -11.761 7.821 0.112 1.00 0.96 C ATOM 2037 C CYS A 144 -13.114 8.524 0.140 1.00 0.91 C ATOM 2038 O CYS A 144 -13.943 8.345 -0.756 1.00 1.26 O ATOM 2039 CB CYS A 144 -11.378 7.454 -1.329 1.00 1.28 C ATOM 2040 SG CYS A 144 -9.720 6.707 -1.507 1.00 1.45 S ATOM 0 H CYS A 144 -12.425 5.907 0.642 1.00 0.87 H new ATOM 0 HA CYS A 144 -11.004 8.502 0.502 1.00 0.96 H new ATOM 0 HB2 CYS A 144 -12.120 6.759 -1.723 1.00 1.28 H new ATOM 0 HB3 CYS A 144 -11.425 8.353 -1.944 1.00 1.28 H new ATOM 2045 N LYS A 145 -13.341 9.295 1.193 1.00 1.09 N ATOM 2046 CA LYS A 145 -14.580 10.038 1.348 1.00 1.29 C ATOM 2047 C LYS A 145 -14.389 11.439 0.775 1.00 1.29 C ATOM 2048 O LYS A 145 -14.724 11.697 -0.381 1.00 2.01 O ATOM 2049 CB LYS A 145 -14.971 10.092 2.831 1.00 1.65 C ATOM 2050 CG LYS A 145 -16.458 10.284 3.093 1.00 2.35 C ATOM 2051 CD LYS A 145 -16.957 11.643 2.639 1.00 3.18 C ATOM 2052 CE LYS A 145 -18.370 11.895 3.125 1.00 4.04 C ATOM 2053 NZ LYS A 145 -18.447 11.911 4.609 1.00 4.87 N ATOM 0 H LYS A 145 -12.677 9.422 1.957 1.00 1.09 H new ATOM 0 HA LYS A 145 -15.388 9.544 0.807 1.00 1.29 H new ATOM 0 HB2 LYS A 145 -14.648 9.168 3.311 1.00 1.65 H new ATOM 0 HB3 LYS A 145 -14.425 10.906 3.307 1.00 1.65 H new ATOM 0 HG2 LYS A 145 -17.018 9.504 2.577 1.00 2.35 H new ATOM 0 HG3 LYS A 145 -16.654 10.166 4.159 1.00 2.35 H new ATOM 0 HD2 LYS A 145 -16.295 12.422 3.017 1.00 3.18 H new ATOM 0 HD3 LYS A 145 -16.928 11.700 1.551 1.00 3.18 H new ATOM 0 HE2 LYS A 145 -18.725 12.848 2.732 1.00 4.04 H new ATOM 0 HE3 LYS A 145 -19.032 11.122 2.735 1.00 4.04 H new ATOM 0 HZ1 LYS A 145 -19.294 12.435 4.907 1.00 4.87 H new ATOM 0 HZ2 LYS A 145 -18.501 10.935 4.964 1.00 4.87 H new ATOM 0 HZ3 LYS A 145 -17.600 12.374 4.996 1.00 4.87 H new ATOM 2067 N ASN A 146 -13.821 12.328 1.576 1.00 1.10 N ATOM 2068 CA ASN A 146 -13.437 13.648 1.095 1.00 1.21 C ATOM 2069 C ASN A 146 -11.988 13.593 0.658 1.00 1.25 C ATOM 2070 O ASN A 146 -11.078 13.709 1.479 1.00 1.88 O ATOM 2071 CB ASN A 146 -13.633 14.722 2.171 1.00 1.56 C ATOM 2072 CG ASN A 146 -15.096 15.005 2.467 1.00 2.22 C ATOM 2073 OD1 ASN A 146 -15.951 14.861 1.463 1.00 2.76 O flip ATOM 2074 ND2 ASN A 146 -15.455 15.352 3.593 1.00 2.97 N flip ATOM 0 H ASN A 146 -13.616 12.160 2.561 1.00 1.10 H new ATOM 0 HA ASN A 146 -14.076 13.921 0.255 1.00 1.21 H new ATOM 0 HB2 ASN A 146 -13.137 14.404 3.088 1.00 1.56 H new ATOM 0 HB3 ASN A 146 -13.148 15.644 1.849 1.00 1.56 H new ATOM 0 HD21 ASN A 146 -14.767 15.452 4.339 1.00 2.97 H new ATOM 0 HD22 ASN A 146 -16.440 15.540 3.779 1.00 2.97 H new ATOM 2081 N THR A 147 -11.777 13.378 -0.629 1.00 1.03 N ATOM 2082 CA THR A 147 -10.457 13.038 -1.122 1.00 1.07 C ATOM 2083 C THR A 147 -10.170 13.637 -2.499 1.00 1.14 C ATOM 2084 O THR A 147 -10.711 13.188 -3.510 1.00 2.01 O ATOM 2085 CB THR A 147 -10.302 11.506 -1.179 1.00 1.20 C ATOM 2086 OG1 THR A 147 -11.578 10.907 -1.449 1.00 1.79 O ATOM 2087 CG2 THR A 147 -9.749 10.958 0.128 1.00 1.52 C ATOM 0 H THR A 147 -12.500 13.433 -1.347 1.00 1.03 H new ATOM 0 HA THR A 147 -9.734 13.466 -0.428 1.00 1.07 H new ATOM 0 HB THR A 147 -9.598 11.262 -1.975 1.00 1.20 H new ATOM 0 HG1 THR A 147 -11.579 10.533 -2.355 1.00 1.79 H new ATOM 0 HG21 THR A 147 -9.651 9.875 0.056 1.00 1.52 H new ATOM 0 HG22 THR A 147 -8.771 11.398 0.322 1.00 1.52 H new ATOM 0 HG23 THR A 147 -10.428 11.208 0.943 1.00 1.52 H new ATOM 2095 N ASP A 148 -9.332 14.670 -2.520 1.00 0.94 N ATOM 2096 CA ASP A 148 -8.823 15.228 -3.773 1.00 1.01 C ATOM 2097 C ASP A 148 -7.331 14.910 -3.905 1.00 0.89 C ATOM 2098 O ASP A 148 -6.959 13.909 -4.509 1.00 0.88 O ATOM 2099 CB ASP A 148 -9.089 16.746 -3.867 1.00 1.33 C ATOM 2100 CG ASP A 148 -8.692 17.524 -2.620 1.00 1.89 C ATOM 2101 OD1 ASP A 148 -7.531 17.968 -2.535 1.00 2.54 O ATOM 2102 OD2 ASP A 148 -9.542 17.690 -1.714 1.00 2.20 O ATOM 0 H ASP A 148 -8.989 15.140 -1.682 1.00 0.94 H new ATOM 0 HA ASP A 148 -9.355 14.766 -4.604 1.00 1.01 H new ATOM 0 HB2 ASP A 148 -8.544 17.147 -4.722 1.00 1.33 H new ATOM 0 HB3 ASP A 148 -10.149 16.907 -4.061 1.00 1.33 H new ATOM 2107 N SER A 149 -6.483 15.740 -3.308 1.00 0.95 N ATOM 2108 CA SER A 149 -5.066 15.433 -3.163 1.00 1.01 C ATOM 2109 C SER A 149 -4.892 14.485 -1.984 1.00 0.85 C ATOM 2110 O SER A 149 -3.807 13.972 -1.709 1.00 1.07 O ATOM 2111 CB SER A 149 -4.267 16.721 -2.941 1.00 1.27 C ATOM 2112 OG SER A 149 -4.849 17.505 -1.910 1.00 1.53 O ATOM 0 H SER A 149 -6.757 16.640 -2.913 1.00 0.95 H new ATOM 0 HA SER A 149 -4.693 14.958 -4.071 1.00 1.01 H new ATOM 0 HB2 SER A 149 -3.238 16.475 -2.680 1.00 1.27 H new ATOM 0 HB3 SER A 149 -4.232 17.297 -3.866 1.00 1.27 H new ATOM 0 HG SER A 149 -5.744 17.795 -2.185 1.00 1.53 H new ATOM 2118 N THR A 150 -5.992 14.273 -1.284 1.00 0.63 N ATOM 2119 CA THR A 150 -6.045 13.349 -0.179 1.00 0.67 C ATOM 2120 C THR A 150 -6.421 11.954 -0.667 1.00 0.56 C ATOM 2121 O THR A 150 -6.474 11.006 0.115 1.00 0.64 O ATOM 2122 CB THR A 150 -7.063 13.841 0.864 1.00 0.92 C ATOM 2123 OG1 THR A 150 -8.139 14.514 0.196 1.00 1.15 O ATOM 2124 CG2 THR A 150 -6.406 14.783 1.860 1.00 1.26 C ATOM 0 H THR A 150 -6.877 14.744 -1.472 1.00 0.63 H new ATOM 0 HA THR A 150 -5.059 13.297 0.283 1.00 0.67 H new ATOM 0 HB THR A 150 -7.448 12.980 1.411 1.00 0.92 H new ATOM 0 HG1 THR A 150 -8.836 14.743 0.846 1.00 1.15 H new ATOM 0 HG21 THR A 150 -7.146 15.117 2.587 1.00 1.26 H new ATOM 0 HG22 THR A 150 -5.600 14.262 2.376 1.00 1.26 H new ATOM 0 HG23 THR A 150 -6.001 15.646 1.332 1.00 1.26 H new ATOM 2132 N ASN A 151 -6.656 11.827 -1.970 1.00 0.49 N ATOM 2133 CA ASN A 151 -7.041 10.547 -2.551 1.00 0.47 C ATOM 2134 C ASN A 151 -5.797 9.736 -2.901 1.00 0.44 C ATOM 2135 O ASN A 151 -5.575 9.365 -4.050 1.00 0.59 O ATOM 2136 CB ASN A 151 -7.919 10.764 -3.790 1.00 0.57 C ATOM 2137 CG ASN A 151 -8.743 9.536 -4.157 1.00 0.69 C ATOM 2138 OD1 ASN A 151 -9.851 9.348 -3.655 1.00 1.21 O ATOM 2139 ND2 ASN A 151 -8.229 8.713 -5.053 1.00 0.79 N ATOM 0 H ASN A 151 -6.587 12.593 -2.640 1.00 0.49 H new ATOM 0 HA ASN A 151 -7.623 9.987 -1.819 1.00 0.47 H new ATOM 0 HB2 ASN A 151 -8.589 11.605 -3.611 1.00 0.57 H new ATOM 0 HB3 ASN A 151 -7.286 11.036 -4.635 1.00 0.57 H new ATOM 0 HD21 ASN A 151 -8.754 7.890 -5.350 1.00 0.79 H new ATOM 0 HD22 ASN A 151 -7.307 8.900 -5.448 1.00 0.79 H new ATOM 2146 N LYS A 152 -4.977 9.487 -1.890 1.00 0.41 N ATOM 2147 CA LYS A 152 -3.764 8.703 -2.049 1.00 0.41 C ATOM 2148 C LYS A 152 -3.595 7.762 -0.863 1.00 0.39 C ATOM 2149 O LYS A 152 -3.839 8.139 0.287 1.00 0.48 O ATOM 2150 CB LYS A 152 -2.529 9.608 -2.241 1.00 0.48 C ATOM 2151 CG LYS A 152 -2.488 10.870 -1.374 1.00 0.67 C ATOM 2152 CD LYS A 152 -2.180 10.571 0.086 1.00 0.85 C ATOM 2153 CE LYS A 152 -1.833 11.836 0.854 1.00 0.82 C ATOM 2154 NZ LYS A 152 -2.899 12.867 0.763 1.00 1.35 N ATOM 0 H LYS A 152 -5.134 9.822 -0.940 1.00 0.41 H new ATOM 0 HA LYS A 152 -3.855 8.101 -2.953 1.00 0.41 H new ATOM 0 HB2 LYS A 152 -1.635 9.019 -2.036 1.00 0.48 H new ATOM 0 HB3 LYS A 152 -2.480 9.907 -3.288 1.00 0.48 H new ATOM 0 HG2 LYS A 152 -1.734 11.552 -1.768 1.00 0.67 H new ATOM 0 HG3 LYS A 152 -3.447 11.383 -1.441 1.00 0.67 H new ATOM 0 HD2 LYS A 152 -3.041 10.088 0.549 1.00 0.85 H new ATOM 0 HD3 LYS A 152 -1.349 9.868 0.147 1.00 0.85 H new ATOM 0 HE2 LYS A 152 -1.662 11.586 1.901 1.00 0.82 H new ATOM 0 HE3 LYS A 152 -0.900 12.247 0.468 1.00 0.82 H new ATOM 0 HZ1 LYS A 152 -2.600 13.722 1.274 1.00 1.35 H new ATOM 0 HZ2 LYS A 152 -3.070 13.103 -0.235 1.00 1.35 H new ATOM 0 HZ3 LYS A 152 -3.775 12.499 1.186 1.00 1.35 H new ATOM 2168 N VAL A 153 -3.218 6.528 -1.140 1.00 0.36 N ATOM 2169 CA VAL A 153 -3.131 5.520 -0.102 1.00 0.37 C ATOM 2170 C VAL A 153 -1.916 4.604 -0.282 1.00 0.35 C ATOM 2171 O VAL A 153 -1.886 3.743 -1.162 1.00 0.43 O ATOM 2172 CB VAL A 153 -4.439 4.693 -0.028 1.00 0.43 C ATOM 2173 CG1 VAL A 153 -4.862 4.177 -1.399 1.00 1.18 C ATOM 2174 CG2 VAL A 153 -4.290 3.547 0.953 1.00 1.32 C ATOM 0 H VAL A 153 -2.968 6.201 -2.073 1.00 0.36 H new ATOM 0 HA VAL A 153 -2.997 6.045 0.844 1.00 0.37 H new ATOM 0 HB VAL A 153 -5.227 5.357 0.327 1.00 0.43 H new ATOM 0 HG11 VAL A 153 -5.783 3.602 -1.303 1.00 1.18 H new ATOM 0 HG12 VAL A 153 -5.028 5.020 -2.070 1.00 1.18 H new ATOM 0 HG13 VAL A 153 -4.077 3.539 -1.806 1.00 1.18 H new ATOM 0 HG21 VAL A 153 -5.219 2.978 0.991 1.00 1.32 H new ATOM 0 HG22 VAL A 153 -3.478 2.895 0.631 1.00 1.32 H new ATOM 0 HG23 VAL A 153 -4.066 3.943 1.944 1.00 1.32 H new ATOM 2184 N THR A 154 -0.901 4.827 0.533 1.00 0.35 N ATOM 2185 CA THR A 154 0.239 3.929 0.599 1.00 0.38 C ATOM 2186 C THR A 154 -0.088 2.711 1.478 1.00 0.37 C ATOM 2187 O THR A 154 -0.664 2.862 2.558 1.00 0.47 O ATOM 2188 CB THR A 154 1.447 4.688 1.180 1.00 0.52 C ATOM 2189 OG1 THR A 154 1.210 5.021 2.552 1.00 0.94 O ATOM 2190 CG2 THR A 154 1.688 5.971 0.397 1.00 0.96 C ATOM 0 H THR A 154 -0.843 5.627 1.162 1.00 0.35 H new ATOM 0 HA THR A 154 0.476 3.575 -0.404 1.00 0.38 H new ATOM 0 HB THR A 154 2.323 4.043 1.106 1.00 0.52 H new ATOM 0 HG1 THR A 154 0.815 5.916 2.608 1.00 0.94 H new ATOM 0 HG21 THR A 154 2.544 6.498 0.817 1.00 0.96 H new ATOM 0 HG22 THR A 154 1.888 5.728 -0.647 1.00 0.96 H new ATOM 0 HG23 THR A 154 0.805 6.606 0.459 1.00 0.96 H new ATOM 2198 N TYR A 155 0.230 1.493 1.030 1.00 0.35 N ATOM 2199 CA TYR A 155 -0.021 0.336 1.884 1.00 0.38 C ATOM 2200 C TYR A 155 0.974 -0.797 1.673 1.00 0.38 C ATOM 2201 O TYR A 155 1.863 -0.728 0.829 1.00 0.61 O ATOM 2202 CB TYR A 155 -1.458 -0.175 1.719 1.00 0.41 C ATOM 2203 CG TYR A 155 -1.802 -0.807 0.383 1.00 0.43 C ATOM 2204 CD1 TYR A 155 -2.087 -0.028 -0.732 1.00 0.50 C ATOM 2205 CD2 TYR A 155 -1.885 -2.189 0.254 1.00 0.53 C ATOM 2206 CE1 TYR A 155 -2.436 -0.606 -1.940 1.00 0.61 C ATOM 2207 CE2 TYR A 155 -2.241 -2.777 -0.947 1.00 0.63 C ATOM 2208 CZ TYR A 155 -2.513 -1.980 -2.042 1.00 0.65 C ATOM 2209 OH TYR A 155 -2.876 -2.559 -3.238 1.00 0.79 O ATOM 0 H TYR A 155 0.644 1.289 0.120 1.00 0.35 H new ATOM 0 HA TYR A 155 0.116 0.686 2.907 1.00 0.38 H new ATOM 0 HB2 TYR A 155 -1.652 -0.907 2.503 1.00 0.41 H new ATOM 0 HB3 TYR A 155 -2.138 0.660 1.887 1.00 0.41 H new ATOM 0 HD1 TYR A 155 -2.035 1.048 -0.654 1.00 0.50 H new ATOM 0 HD2 TYR A 155 -1.668 -2.815 1.107 1.00 0.53 H new ATOM 0 HE1 TYR A 155 -2.647 0.015 -2.798 1.00 0.61 H new ATOM 0 HE2 TYR A 155 -2.306 -3.852 -1.028 1.00 0.63 H new ATOM 0 HH TYR A 155 -2.152 -3.140 -3.553 1.00 0.79 H new ATOM 2219 N PHE A 156 0.827 -1.828 2.497 1.00 0.41 N ATOM 2220 CA PHE A 156 1.685 -2.996 2.446 1.00 0.44 C ATOM 2221 C PHE A 156 0.870 -4.254 2.236 1.00 0.46 C ATOM 2222 O PHE A 156 0.028 -4.609 3.056 1.00 0.46 O ATOM 2223 CB PHE A 156 2.489 -3.118 3.735 1.00 0.44 C ATOM 2224 CG PHE A 156 3.581 -2.109 3.821 1.00 0.45 C ATOM 2225 CD1 PHE A 156 3.325 -0.855 4.336 1.00 0.53 C ATOM 2226 CD2 PHE A 156 4.867 -2.421 3.408 1.00 0.55 C ATOM 2227 CE1 PHE A 156 4.334 0.078 4.441 1.00 0.61 C ATOM 2228 CE2 PHE A 156 5.880 -1.495 3.513 1.00 0.62 C ATOM 2229 CZ PHE A 156 5.605 -0.227 3.932 1.00 0.62 C ATOM 0 H PHE A 156 0.107 -1.873 3.219 1.00 0.41 H new ATOM 0 HA PHE A 156 2.368 -2.876 1.605 1.00 0.44 H new ATOM 0 HB2 PHE A 156 1.822 -3.001 4.589 1.00 0.44 H new ATOM 0 HB3 PHE A 156 2.917 -4.119 3.800 1.00 0.44 H new ATOM 0 HD1 PHE A 156 2.326 -0.602 4.659 1.00 0.53 H new ATOM 0 HD2 PHE A 156 5.076 -3.399 3.000 1.00 0.55 H new ATOM 0 HE1 PHE A 156 4.148 1.033 4.910 1.00 0.61 H new ATOM 0 HE2 PHE A 156 6.893 -1.773 3.263 1.00 0.62 H new ATOM 0 HZ PHE A 156 6.363 0.540 3.872 1.00 0.62 H new ATOM 2239 N MET A 157 1.132 -4.948 1.161 1.00 0.59 N ATOM 2240 CA MET A 157 0.420 -6.179 0.905 1.00 0.68 C ATOM 2241 C MET A 157 1.415 -7.320 0.867 1.00 0.82 C ATOM 2242 O MET A 157 1.829 -7.770 -0.196 1.00 1.12 O ATOM 2243 CB MET A 157 -0.424 -6.092 -0.376 1.00 0.83 C ATOM 2244 CG MET A 157 -1.337 -7.294 -0.574 1.00 1.47 C ATOM 2245 SD MET A 157 -2.898 -6.898 -1.394 1.00 2.50 S ATOM 2246 CE MET A 157 -2.339 -6.310 -2.988 1.00 3.27 C ATOM 0 H MET A 157 1.822 -4.690 0.455 1.00 0.59 H new ATOM 0 HA MET A 157 -0.290 -6.362 1.711 1.00 0.68 H new ATOM 0 HB2 MET A 157 -1.029 -5.186 -0.344 1.00 0.83 H new ATOM 0 HB3 MET A 157 0.240 -6.002 -1.236 1.00 0.83 H new ATOM 0 HG2 MET A 157 -0.810 -8.046 -1.161 1.00 1.47 H new ATOM 0 HG3 MET A 157 -1.551 -7.740 0.397 1.00 1.47 H new ATOM 0 HE1 MET A 157 -2.773 -5.330 -3.187 1.00 3.27 H new ATOM 0 HE2 MET A 157 -1.252 -6.232 -2.986 1.00 3.27 H new ATOM 0 HE3 MET A 157 -2.651 -7.009 -3.764 1.00 3.27 H new ATOM 2256 N LYS A 158 1.796 -7.748 2.073 1.00 0.75 N ATOM 2257 CA LYS A 158 2.810 -8.756 2.290 1.00 0.96 C ATOM 2258 C LYS A 158 4.101 -8.470 1.509 1.00 1.43 C ATOM 2259 O LYS A 158 4.970 -7.759 2.069 1.00 1.89 O ATOM 2260 CB LYS A 158 2.210 -10.112 1.984 1.00 0.95 C ATOM 2261 CG LYS A 158 3.144 -11.293 2.164 1.00 1.11 C ATOM 2262 CD LYS A 158 2.407 -12.592 1.891 1.00 1.49 C ATOM 2263 CE LYS A 158 1.149 -12.705 2.746 1.00 1.88 C ATOM 2264 NZ LYS A 158 1.456 -12.969 4.177 1.00 2.24 N ATOM 2265 OXT LYS A 158 4.251 -8.953 0.373 1.00 2.11 O ATOM 0 H LYS A 158 1.393 -7.389 2.938 1.00 0.75 H new ATOM 0 HA LYS A 158 3.122 -8.741 3.334 1.00 0.96 H new ATOM 0 HB2 LYS A 158 1.340 -10.258 2.624 1.00 0.95 H new ATOM 0 HB3 LYS A 158 1.852 -10.108 0.955 1.00 0.95 H new ATOM 0 HG2 LYS A 158 3.994 -11.200 1.488 1.00 1.11 H new ATOM 0 HG3 LYS A 158 3.543 -11.299 3.178 1.00 1.11 H new ATOM 0 HD2 LYS A 158 2.138 -12.646 0.836 1.00 1.49 H new ATOM 0 HD3 LYS A 158 3.065 -13.436 2.095 1.00 1.49 H new ATOM 0 HE2 LYS A 158 0.574 -11.782 2.665 1.00 1.88 H new ATOM 0 HE3 LYS A 158 0.521 -13.507 2.358 1.00 1.88 H new ATOM 0 HZ1 LYS A 158 0.569 -13.037 4.716 1.00 2.24 H new ATOM 0 HZ2 LYS A 158 1.981 -13.863 4.260 1.00 2.24 H new ATOM 0 HZ3 LYS A 158 2.033 -12.192 4.557 1.00 2.24 H new