USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 837 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 36 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.223) USER MOD Set 1.2: A 39 LYS NZ :NH3+ -139:sc= 0.804 (180deg=0.0783) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.17) USER MOD Single : A 21 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.148) USER MOD Single : A 28 SER OG : rot 142:sc= 1.17 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.356 X(o=-0.36,f=-0.028) USER MOD Single : A 44 SER OG : rot 93:sc= 1.03 USER MOD Single : A 46 SER OG : rot 93:sc= 0.285 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 165:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.462 X(o=-0.46,f=-0.4) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.88!) USER MOD Single : A 67 SER OG : rot -38:sc= 0.175 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.695 USER MOD Single : A 76 THR OG1 : rot 102:sc= 0.376 USER MOD Single : A 78 GLN : amide:sc= -2.02 X(o=-2,f=-1.6!) USER MOD Single : A 81 LYS NZ :NH3+ -129:sc= 0.0166 (180deg=-0.139) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -139:sc= 0.889 (180deg=0.00985!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN :FLIP amide:sc= -1.54 F(o=-2.9!,f=-1.5) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -167:sc= -0.488 (180deg=-2.16!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.547 K(o=-0.55,f=-2.5!) USER MOD Single : B 63 LYS NZ :NH3+ 157:sc= -0.0278 (180deg=-0.491) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN :FLIP amide:sc= -0.0999 F(o=-2.1!,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -2.536 -2.510 8.929 1.00 0.20 N ATOM 37 CA LYS A 3 -1.465 -3.452 9.367 1.00 0.18 C ATOM 38 C LYS A 3 -0.131 -2.998 8.769 1.00 0.15 C ATOM 39 O LYS A 3 -0.020 -2.783 7.577 1.00 0.16 O ATOM 40 CB LYS A 3 -1.802 -4.858 8.841 1.00 0.19 C ATOM 41 CG LYS A 3 -0.792 -5.901 9.363 1.00 0.20 C ATOM 42 CD LYS A 3 -1.207 -6.381 10.757 1.00 0.81 C ATOM 43 CE LYS A 3 -0.245 -7.471 11.238 1.00 1.03 C ATOM 44 NZ LYS A 3 -0.587 -7.850 12.638 1.00 1.67 N ATOM 0 HA LYS A 3 -1.396 -3.467 10.455 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -2.809 -5.135 9.152 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.795 -4.854 7.751 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -0.744 -6.747 8.678 1.00 0.20 H new ATOM 0 HG3 LYS A 3 0.206 -5.465 9.402 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -1.202 -5.545 11.456 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -2.226 -6.768 10.730 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.311 -8.343 10.587 1.00 1.03 H new ATOM 0 HE3 LYS A 3 0.783 -7.112 11.187 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 0.065 -8.590 12.966 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 -0.503 -7.016 13.254 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 -1.563 -8.208 12.672 1.00 1.67 H new ATOM 58 N GLN A 4 0.892 -2.888 9.580 1.00 0.15 N ATOM 59 CA GLN A 4 2.229 -2.491 9.047 1.00 0.14 C ATOM 60 C GLN A 4 2.995 -3.773 8.778 1.00 0.12 C ATOM 61 O GLN A 4 3.133 -4.615 9.644 1.00 0.13 O ATOM 62 CB GLN A 4 2.998 -1.651 10.079 1.00 0.16 C ATOM 63 CG GLN A 4 4.366 -1.256 9.501 1.00 0.17 C ATOM 64 CD GLN A 4 5.081 -0.313 10.472 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.811 -0.324 11.656 1.00 0.29 O ATOM 66 NE2 GLN A 4 5.991 0.510 10.019 1.00 0.31 N ATOM 0 H GLN A 4 0.858 -3.056 10.586 1.00 0.15 H new ATOM 0 HA GLN A 4 2.113 -1.892 8.144 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.428 -0.758 10.335 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.131 -2.219 11.000 1.00 0.16 H new ATOM 0 HG2 GLN A 4 4.971 -2.147 9.331 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.237 -0.769 8.534 1.00 0.17 H new ATOM 0 HE21 GLN A 4 6.219 0.521 9.025 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.472 1.141 10.660 1.00 0.31 H new ATOM 75 N ILE A 5 3.492 -3.939 7.588 1.00 0.10 N ATOM 76 CA ILE A 5 4.249 -5.176 7.260 1.00 0.10 C ATOM 77 C ILE A 5 5.738 -4.871 7.330 1.00 0.10 C ATOM 78 O ILE A 5 6.248 -4.081 6.562 1.00 0.11 O ATOM 79 CB ILE A 5 3.904 -5.604 5.842 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.383 -5.758 5.676 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.596 -6.924 5.535 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.805 -6.673 6.760 1.00 0.19 C ATOM 0 H ILE A 5 3.407 -3.268 6.824 1.00 0.10 H new ATOM 0 HA ILE A 5 3.993 -5.969 7.963 1.00 0.10 H new ATOM 0 HB ILE A 5 4.247 -4.838 5.147 1.00 0.11 H new ATOM 0 HG12 ILE A 5 1.906 -4.779 5.729 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.160 -6.169 4.691 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.352 -7.235 4.519 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.675 -6.799 5.627 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.258 -7.684 6.239 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.728 -6.766 6.621 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.267 -7.658 6.689 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.009 -6.247 7.742 1.00 0.19 H new ATOM 94 N GLU A 6 6.445 -5.484 8.241 1.00 0.11 N ATOM 95 CA GLU A 6 7.909 -5.217 8.346 1.00 0.13 C ATOM 96 C GLU A 6 8.697 -6.319 7.633 1.00 0.12 C ATOM 97 O GLU A 6 9.909 -6.275 7.567 1.00 0.13 O ATOM 98 CB GLU A 6 8.311 -5.184 9.820 1.00 0.15 C ATOM 99 CG GLU A 6 7.537 -4.082 10.553 1.00 0.17 C ATOM 100 CD GLU A 6 7.920 -2.707 9.995 1.00 1.45 C ATOM 101 OE1 GLU A 6 7.343 -2.314 8.995 1.00 2.25 O ATOM 102 OE2 GLU A 6 8.777 -2.066 10.582 1.00 2.25 O ATOM 0 H GLU A 6 6.075 -6.155 8.914 1.00 0.11 H new ATOM 0 HA GLU A 6 8.131 -4.258 7.878 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.108 -6.150 10.282 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.383 -5.007 9.909 1.00 0.15 H new ATOM 0 HG2 GLU A 6 6.465 -4.243 10.439 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.754 -4.123 11.620 1.00 0.17 H new ATOM 109 N SER A 7 8.027 -7.304 7.090 1.00 0.12 N ATOM 110 CA SER A 7 8.764 -8.401 6.383 1.00 0.13 C ATOM 111 C SER A 7 7.893 -9.053 5.313 1.00 0.12 C ATOM 112 O SER A 7 6.679 -9.018 5.369 1.00 0.12 O ATOM 113 CB SER A 7 9.178 -9.468 7.395 1.00 0.15 C ATOM 114 OG SER A 7 8.015 -9.995 8.022 1.00 0.15 O ATOM 0 H SER A 7 7.011 -7.398 7.104 1.00 0.12 H new ATOM 0 HA SER A 7 9.640 -7.965 5.904 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.729 -10.265 6.896 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.845 -9.038 8.142 1.00 0.15 H new ATOM 0 HG SER A 7 8.276 -10.681 8.671 1.00 0.15 H new ATOM 120 N LYS A 8 8.521 -9.676 4.349 1.00 0.14 N ATOM 121 CA LYS A 8 7.758 -10.370 3.279 1.00 0.15 C ATOM 122 C LYS A 8 7.032 -11.543 3.915 1.00 0.15 C ATOM 123 O LYS A 8 5.961 -11.938 3.497 1.00 0.16 O ATOM 124 CB LYS A 8 8.716 -10.890 2.204 1.00 0.18 C ATOM 125 CG LYS A 8 7.905 -11.358 0.993 1.00 0.21 C ATOM 126 CD LYS A 8 8.842 -11.875 -0.109 1.00 0.43 C ATOM 127 CE LYS A 8 9.699 -13.032 0.418 1.00 0.80 C ATOM 128 NZ LYS A 8 10.096 -13.911 -0.718 1.00 1.65 N ATOM 0 H LYS A 8 9.536 -9.732 4.260 1.00 0.14 H new ATOM 0 HA LYS A 8 7.052 -9.682 2.813 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.412 -10.105 1.909 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.312 -11.713 2.598 1.00 0.18 H new ATOM 0 HG2 LYS A 8 7.214 -12.147 1.292 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.302 -10.534 0.610 1.00 0.21 H new ATOM 0 HD2 LYS A 8 8.257 -12.208 -0.966 1.00 0.43 H new ATOM 0 HD3 LYS A 8 9.485 -11.067 -0.457 1.00 0.43 H new ATOM 0 HE2 LYS A 8 10.586 -12.644 0.919 1.00 0.80 H new ATOM 0 HE3 LYS A 8 9.140 -13.605 1.158 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 10.677 -14.697 -0.362 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 9.244 -14.291 -1.177 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 10.644 -13.359 -1.409 1.00 1.65 H new ATOM 142 N THR A 9 7.626 -12.108 4.931 1.00 0.15 N ATOM 143 CA THR A 9 6.995 -13.271 5.605 1.00 0.17 C ATOM 144 C THR A 9 5.601 -12.871 6.065 1.00 0.16 C ATOM 145 O THR A 9 4.632 -13.565 5.829 1.00 0.17 O ATOM 146 CB THR A 9 7.827 -13.672 6.825 1.00 0.19 C ATOM 147 OG1 THR A 9 9.189 -13.815 6.448 1.00 0.22 O ATOM 148 CG2 THR A 9 7.304 -14.998 7.379 1.00 0.23 C ATOM 0 H THR A 9 8.521 -11.812 5.321 1.00 0.15 H new ATOM 0 HA THR A 9 6.939 -14.111 4.913 1.00 0.17 H new ATOM 0 HB THR A 9 7.747 -12.900 7.591 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.720 -14.070 7.231 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.894 -15.287 8.248 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.260 -14.884 7.671 1.00 0.23 H new ATOM 0 HG23 THR A 9 7.384 -15.769 6.613 1.00 0.23 H new ATOM 156 N ALA A 10 5.494 -11.745 6.707 1.00 0.15 N ATOM 157 CA ALA A 10 4.163 -11.269 7.167 1.00 0.15 C ATOM 158 C ALA A 10 3.346 -10.833 5.953 1.00 0.14 C ATOM 159 O ALA A 10 2.140 -10.948 5.932 1.00 0.15 O ATOM 160 CB ALA A 10 4.338 -10.086 8.121 1.00 0.17 C ATOM 0 H ALA A 10 6.275 -11.130 6.934 1.00 0.15 H new ATOM 0 HA ALA A 10 3.646 -12.073 7.691 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.360 -9.741 8.455 1.00 0.17 H new ATOM 0 HB2 ALA A 10 4.927 -10.398 8.983 1.00 0.17 H new ATOM 0 HB3 ALA A 10 4.852 -9.275 7.605 1.00 0.17 H new ATOM 166 N PHE A 11 3.997 -10.321 4.941 1.00 0.14 N ATOM 167 CA PHE A 11 3.252 -9.859 3.734 1.00 0.13 C ATOM 168 C PHE A 11 2.441 -11.019 3.186 1.00 0.14 C ATOM 169 O PHE A 11 1.295 -10.875 2.807 1.00 0.14 O ATOM 170 CB PHE A 11 4.258 -9.422 2.658 1.00 0.14 C ATOM 171 CG PHE A 11 3.532 -8.750 1.509 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.911 -7.509 1.698 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.485 -9.367 0.249 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.240 -6.891 0.635 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.817 -8.747 -0.813 1.00 0.14 C ATOM 176 CZ PHE A 11 2.194 -7.509 -0.620 1.00 0.14 C ATOM 0 H PHE A 11 5.009 -10.203 4.899 1.00 0.14 H new ATOM 0 HA PHE A 11 2.599 -9.027 4.000 1.00 0.13 H new ATOM 0 HB2 PHE A 11 4.988 -8.736 3.088 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.811 -10.288 2.293 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.950 -7.028 2.664 1.00 0.14 H new ATOM 0 HD2 PHE A 11 3.966 -10.322 0.099 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.757 -5.936 0.784 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.782 -9.224 -1.781 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.678 -7.030 -1.439 1.00 0.14 H new ATOM 186 N GLN A 12 3.033 -12.170 3.143 1.00 0.14 N ATOM 187 CA GLN A 12 2.309 -13.354 2.621 1.00 0.16 C ATOM 188 C GLN A 12 1.155 -13.689 3.566 1.00 0.15 C ATOM 189 O GLN A 12 0.059 -14.003 3.147 1.00 0.16 O ATOM 190 CB GLN A 12 3.281 -14.536 2.586 1.00 0.18 C ATOM 191 CG GLN A 12 4.401 -14.253 1.584 1.00 0.17 C ATOM 192 CD GLN A 12 3.821 -14.162 0.170 1.00 0.40 C ATOM 193 OE1 GLN A 12 3.832 -13.110 -0.437 1.00 1.12 O ATOM 194 NE2 GLN A 12 3.309 -15.228 -0.382 1.00 1.31 N ATOM 0 H GLN A 12 3.991 -12.345 3.447 1.00 0.14 H new ATOM 0 HA GLN A 12 1.921 -13.151 1.623 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.701 -14.703 3.578 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.751 -15.447 2.306 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.905 -13.321 1.841 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.150 -15.043 1.629 1.00 0.17 H new ATOM 0 HE21 GLN A 12 3.300 -16.112 0.127 1.00 1.31 H new ATOM 0 HE22 GLN A 12 2.918 -15.178 -1.323 1.00 1.31 H new ATOM 203 N GLU A 13 1.412 -13.622 4.844 1.00 0.16 N ATOM 204 CA GLU A 13 0.361 -13.930 5.855 1.00 0.17 C ATOM 205 C GLU A 13 -0.777 -12.908 5.789 1.00 0.15 C ATOM 206 O GLU A 13 -1.935 -13.244 5.944 1.00 0.16 O ATOM 207 CB GLU A 13 1.006 -13.902 7.248 1.00 0.19 C ATOM 208 CG GLU A 13 1.995 -15.065 7.400 1.00 0.28 C ATOM 209 CD GLU A 13 1.240 -16.395 7.345 1.00 0.95 C ATOM 210 OE1 GLU A 13 0.056 -16.393 7.637 1.00 1.77 O ATOM 211 OE2 GLU A 13 1.860 -17.392 7.015 1.00 1.67 O ATOM 0 H GLU A 13 2.318 -13.363 5.235 1.00 0.16 H new ATOM 0 HA GLU A 13 -0.060 -14.914 5.650 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.523 -12.954 7.398 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.234 -13.969 8.015 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.741 -15.026 6.606 1.00 0.28 H new ATOM 0 HG3 GLU A 13 2.530 -14.979 8.346 1.00 0.28 H new ATOM 218 N ALA A 14 -0.462 -11.664 5.574 1.00 0.15 N ATOM 219 CA ALA A 14 -1.529 -10.629 5.515 1.00 0.14 C ATOM 220 C ALA A 14 -2.404 -10.880 4.289 1.00 0.13 C ATOM 221 O ALA A 14 -3.613 -10.756 4.338 1.00 0.13 O ATOM 222 CB ALA A 14 -0.882 -9.249 5.412 1.00 0.15 C ATOM 0 H ALA A 14 0.488 -11.318 5.436 1.00 0.15 H new ATOM 0 HA ALA A 14 -2.143 -10.676 6.414 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.659 -8.485 5.368 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.252 -9.076 6.285 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.273 -9.199 4.509 1.00 0.15 H new ATOM 228 N LEU A 15 -1.802 -11.236 3.190 1.00 0.12 N ATOM 229 CA LEU A 15 -2.587 -11.499 1.960 1.00 0.12 C ATOM 230 C LEU A 15 -3.561 -12.651 2.215 1.00 0.13 C ATOM 231 O LEU A 15 -4.698 -12.625 1.789 1.00 0.13 O ATOM 232 CB LEU A 15 -1.619 -11.875 0.833 1.00 0.13 C ATOM 233 CG LEU A 15 -0.820 -10.631 0.402 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.360 -11.057 -0.484 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.723 -9.644 -0.371 1.00 0.17 C ATOM 0 H LEU A 15 -0.794 -11.356 3.093 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.154 -10.612 1.678 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -0.939 -12.658 1.170 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.172 -12.277 -0.016 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.445 -10.131 1.295 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.924 -10.175 -0.788 1.00 0.17 H new ATOM 0 HD12 LEU A 15 1.011 -11.729 0.075 1.00 0.17 H new ATOM 0 HD13 LEU A 15 -0.016 -11.570 -1.369 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.140 -8.772 -0.666 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.119 -10.134 -1.260 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.548 -9.329 0.268 1.00 0.17 H new ATOM 247 N ASP A 16 -3.122 -13.655 2.923 1.00 0.13 N ATOM 248 CA ASP A 16 -4.015 -14.809 3.217 1.00 0.15 C ATOM 249 C ASP A 16 -5.111 -14.391 4.203 1.00 0.15 C ATOM 250 O ASP A 16 -6.227 -14.871 4.148 1.00 0.16 O ATOM 251 CB ASP A 16 -3.188 -15.939 3.834 1.00 0.17 C ATOM 252 CG ASP A 16 -4.014 -17.229 3.863 1.00 0.19 C ATOM 253 OD1 ASP A 16 -5.222 -17.143 3.722 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.420 -18.281 4.031 1.00 1.07 O ATOM 0 H ASP A 16 -2.181 -13.725 3.311 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.479 -15.147 2.290 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.277 -16.093 3.256 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.883 -15.669 4.845 1.00 0.17 H new ATOM 259 N ALA A 17 -4.793 -13.517 5.117 1.00 0.15 N ATOM 260 CA ALA A 17 -5.803 -13.085 6.127 1.00 0.16 C ATOM 261 C ALA A 17 -6.892 -12.250 5.456 1.00 0.15 C ATOM 262 O ALA A 17 -8.053 -12.336 5.801 1.00 0.17 O ATOM 263 CB ALA A 17 -5.113 -12.251 7.207 1.00 0.18 C ATOM 0 H ALA A 17 -3.875 -13.081 5.209 1.00 0.15 H new ATOM 0 HA ALA A 17 -6.259 -13.967 6.577 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.848 -11.934 7.947 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.344 -12.851 7.694 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.654 -11.373 6.751 1.00 0.18 H new ATOM 269 N ALA A 18 -6.529 -11.443 4.505 1.00 0.14 N ATOM 270 CA ALA A 18 -7.547 -10.605 3.818 1.00 0.15 C ATOM 271 C ALA A 18 -8.581 -11.510 3.155 1.00 0.14 C ATOM 272 O ALA A 18 -9.741 -11.169 3.046 1.00 0.17 O ATOM 273 CB ALA A 18 -6.863 -9.751 2.757 1.00 0.15 C ATOM 0 H ALA A 18 -5.572 -11.326 4.172 1.00 0.14 H new ATOM 0 HA ALA A 18 -8.041 -9.958 4.543 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.606 -9.135 2.251 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -6.121 -9.108 3.230 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.372 -10.398 2.030 1.00 0.15 H new ATOM 279 N GLY A 19 -8.171 -12.662 2.706 1.00 0.16 N ATOM 280 CA GLY A 19 -9.134 -13.584 2.047 1.00 0.20 C ATOM 281 C GLY A 19 -9.598 -12.968 0.732 1.00 0.16 C ATOM 282 O GLY A 19 -8.802 -12.591 -0.103 1.00 0.17 O ATOM 0 H GLY A 19 -7.212 -13.004 2.767 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.664 -14.550 1.864 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.988 -13.764 2.700 1.00 0.20 H new ATOM 286 N ASP A 20 -10.879 -12.869 0.532 1.00 0.15 N ATOM 287 CA ASP A 20 -11.395 -12.293 -0.742 1.00 0.14 C ATOM 288 C ASP A 20 -11.592 -10.776 -0.611 1.00 0.12 C ATOM 289 O ASP A 20 -12.068 -10.127 -1.519 1.00 0.13 O ATOM 290 CB ASP A 20 -12.717 -12.972 -1.081 1.00 0.15 C ATOM 291 CG ASP A 20 -12.467 -14.474 -1.245 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.519 -14.822 -1.930 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.222 -15.248 -0.681 1.00 1.07 O ATOM 0 H ASP A 20 -11.595 -13.162 1.196 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.673 -12.467 -1.540 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.447 -12.794 -0.291 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -13.132 -12.555 -1.999 1.00 0.15 H new ATOM 298 N LYS A 21 -11.225 -10.201 0.502 1.00 0.12 N ATOM 299 CA LYS A 21 -11.395 -8.725 0.667 1.00 0.12 C ATOM 300 C LYS A 21 -10.322 -7.989 -0.144 1.00 0.10 C ATOM 301 O LYS A 21 -9.222 -8.475 -0.315 1.00 0.11 O ATOM 302 CB LYS A 21 -11.235 -8.366 2.147 1.00 0.15 C ATOM 303 CG LYS A 21 -12.378 -8.987 2.954 1.00 0.21 C ATOM 304 CD LYS A 21 -12.501 -8.273 4.298 1.00 0.31 C ATOM 305 CE LYS A 21 -13.464 -9.045 5.191 1.00 0.80 C ATOM 306 NZ LYS A 21 -14.839 -8.948 4.627 1.00 1.50 N ATOM 0 H LYS A 21 -10.817 -10.685 1.302 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.384 -8.431 0.315 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.276 -8.729 2.518 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.236 -7.283 2.271 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.314 -8.906 2.401 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.191 -10.049 3.111 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -11.524 -8.200 4.775 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -12.861 -7.255 4.150 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -13.159 -10.089 5.259 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -13.444 -8.641 6.203 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -15.525 -9.309 5.320 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -15.056 -7.954 4.410 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -14.898 -9.513 3.756 1.00 1.50 H new ATOM 320 N LEU A 22 -10.629 -6.813 -0.636 1.00 0.11 N ATOM 321 CA LEU A 22 -9.623 -6.047 -1.425 1.00 0.12 C ATOM 322 C LEU A 22 -8.428 -5.778 -0.503 1.00 0.12 C ATOM 323 O LEU A 22 -8.563 -5.752 0.704 1.00 0.14 O ATOM 324 CB LEU A 22 -10.272 -4.714 -1.878 1.00 0.15 C ATOM 325 CG LEU A 22 -9.866 -4.318 -3.312 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.453 -2.919 -3.651 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.334 -4.279 -3.446 1.00 0.47 C ATOM 0 H LEU A 22 -11.533 -6.354 -0.524 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.293 -6.595 -2.307 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.357 -4.804 -1.823 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.983 -3.920 -1.189 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.260 -5.060 -4.006 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -10.166 -2.640 -4.665 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.540 -2.953 -3.578 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -10.065 -2.182 -2.948 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -8.065 -3.998 -4.464 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.926 -3.548 -2.748 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.924 -5.264 -3.221 1.00 0.47 H new ATOM 339 N VAL A 23 -7.269 -5.567 -1.052 1.00 0.11 N ATOM 340 CA VAL A 23 -6.081 -5.289 -0.208 1.00 0.11 C ATOM 341 C VAL A 23 -5.204 -4.301 -0.952 1.00 0.11 C ATOM 342 O VAL A 23 -4.771 -4.560 -2.057 1.00 0.17 O ATOM 343 CB VAL A 23 -5.287 -6.576 0.018 1.00 0.11 C ATOM 344 CG1 VAL A 23 -4.108 -6.293 0.952 1.00 0.16 C ATOM 345 CG2 VAL A 23 -6.184 -7.636 0.648 1.00 0.12 C ATOM 0 H VAL A 23 -7.093 -5.575 -2.057 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.395 -4.890 0.756 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.918 -6.939 -0.941 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.543 -7.211 1.113 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.460 -5.541 0.502 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.481 -5.925 1.908 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.611 -8.550 0.806 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.559 -7.273 1.605 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -7.023 -7.844 -0.016 1.00 0.12 H new ATOM 355 N VAL A 24 -4.937 -3.174 -0.359 1.00 0.09 N ATOM 356 CA VAL A 24 -4.081 -2.155 -1.024 1.00 0.09 C ATOM 357 C VAL A 24 -2.752 -2.087 -0.270 1.00 0.09 C ATOM 358 O VAL A 24 -2.725 -2.185 0.941 1.00 0.10 O ATOM 359 CB VAL A 24 -4.778 -0.795 -0.968 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.993 0.216 -1.803 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.200 -0.925 -1.523 1.00 0.14 C ATOM 0 H VAL A 24 -5.278 -2.912 0.566 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.908 -2.421 -2.067 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.823 -0.453 0.066 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.490 1.185 -1.763 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.982 0.310 -1.405 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.946 -0.125 -2.837 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.696 0.045 -1.483 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -6.157 -1.268 -2.557 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.760 -1.644 -0.925 1.00 0.14 H new ATOM 371 N VAL A 25 -1.651 -1.938 -0.967 1.00 0.09 N ATOM 372 CA VAL A 25 -0.321 -1.878 -0.276 1.00 0.09 C ATOM 373 C VAL A 25 0.374 -0.564 -0.636 1.00 0.10 C ATOM 374 O VAL A 25 0.621 -0.276 -1.790 1.00 0.11 O ATOM 375 CB VAL A 25 0.547 -3.053 -0.738 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.854 -3.056 0.053 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.190 -4.375 -0.501 1.00 0.10 C ATOM 0 H VAL A 25 -1.614 -1.855 -1.983 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.466 -1.934 0.803 1.00 0.09 H new ATOM 0 HB VAL A 25 0.757 -2.946 -1.802 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.475 -3.891 -0.273 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.385 -2.120 -0.119 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.636 -3.159 1.116 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.435 -5.204 -0.832 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.406 -4.486 0.562 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.124 -4.377 -1.063 1.00 0.10 H new ATOM 387 N ASP A 26 0.693 0.235 0.351 1.00 0.11 N ATOM 388 CA ASP A 26 1.377 1.542 0.082 1.00 0.12 C ATOM 389 C ASP A 26 2.883 1.434 0.318 1.00 0.14 C ATOM 390 O ASP A 26 3.335 1.370 1.445 1.00 0.20 O ATOM 391 CB ASP A 26 0.816 2.610 1.026 1.00 0.14 C ATOM 392 CG ASP A 26 1.541 3.941 0.795 1.00 0.16 C ATOM 393 OD1 ASP A 26 1.572 4.390 -0.337 1.00 1.04 O ATOM 394 OD2 ASP A 26 2.076 4.475 1.752 1.00 1.05 O ATOM 0 H ASP A 26 0.510 0.040 1.335 1.00 0.11 H new ATOM 0 HA ASP A 26 1.198 1.811 -0.959 1.00 0.12 H new ATOM 0 HB2 ASP A 26 -0.253 2.734 0.855 1.00 0.14 H new ATOM 0 HB3 ASP A 26 0.939 2.294 2.062 1.00 0.14 H new ATOM 399 N PHE A 27 3.672 1.469 -0.725 1.00 0.13 N ATOM 400 CA PHE A 27 5.151 1.436 -0.530 1.00 0.13 C ATOM 401 C PHE A 27 5.608 2.884 -0.403 1.00 0.22 C ATOM 402 O PHE A 27 5.676 3.604 -1.379 1.00 0.73 O ATOM 403 CB PHE A 27 5.848 0.812 -1.749 1.00 0.11 C ATOM 404 CG PHE A 27 5.609 -0.679 -1.815 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.468 -1.559 -1.142 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.541 -1.181 -2.566 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.254 -2.942 -1.221 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.327 -2.563 -2.641 1.00 0.14 C ATOM 409 CZ PHE A 27 5.183 -3.444 -1.969 1.00 0.14 C ATOM 0 H PHE A 27 3.359 1.519 -1.695 1.00 0.13 H new ATOM 0 HA PHE A 27 5.400 0.843 0.350 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.480 1.282 -2.661 1.00 0.11 H new ATOM 0 HB3 PHE A 27 6.919 1.009 -1.699 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.294 -1.172 -0.563 1.00 0.11 H new ATOM 0 HD2 PHE A 27 3.882 -0.503 -3.088 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.916 -3.621 -0.704 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.500 -2.950 -3.218 1.00 0.14 H new ATOM 0 HZ PHE A 27 5.017 -4.510 -2.028 1.00 0.14 H new ATOM 419 N SER A 28 5.918 3.316 0.787 1.00 0.30 N ATOM 420 CA SER A 28 6.378 4.723 0.995 1.00 0.24 C ATOM 421 C SER A 28 7.657 4.699 1.812 1.00 0.24 C ATOM 422 O SER A 28 7.812 3.890 2.702 1.00 0.28 O ATOM 423 CB SER A 28 5.312 5.501 1.765 1.00 0.27 C ATOM 424 OG SER A 28 4.130 5.581 0.980 1.00 0.29 O ATOM 0 H SER A 28 5.873 2.751 1.635 1.00 0.30 H new ATOM 0 HA SER A 28 6.552 5.201 0.031 1.00 0.24 H new ATOM 0 HB2 SER A 28 5.100 5.008 2.714 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.675 6.502 2.000 1.00 0.27 H new ATOM 0 HG SER A 28 3.345 5.494 1.560 1.00 0.29 H new ATOM 430 N ALA A 29 8.572 5.580 1.549 1.00 0.20 N ATOM 431 CA ALA A 29 9.817 5.583 2.356 1.00 0.21 C ATOM 432 C ALA A 29 9.525 6.346 3.646 1.00 0.22 C ATOM 433 O ALA A 29 9.124 7.494 3.621 1.00 0.22 O ATOM 434 CB ALA A 29 10.941 6.273 1.566 1.00 0.19 C ATOM 0 H ALA A 29 8.515 6.291 0.820 1.00 0.20 H new ATOM 0 HA ALA A 29 10.138 4.567 2.585 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.855 6.275 2.160 1.00 0.19 H new ATOM 0 HB2 ALA A 29 11.114 5.734 0.634 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.651 7.300 1.343 1.00 0.19 H new ATOM 440 N THR A 30 9.715 5.720 4.774 1.00 0.23 N ATOM 441 CA THR A 30 9.437 6.426 6.050 1.00 0.24 C ATOM 442 C THR A 30 10.410 7.591 6.171 1.00 0.22 C ATOM 443 O THR A 30 10.085 8.635 6.700 1.00 0.22 O ATOM 444 CB THR A 30 9.625 5.466 7.230 1.00 0.28 C ATOM 445 OG1 THR A 30 9.380 6.164 8.444 1.00 0.30 O ATOM 446 CG2 THR A 30 11.052 4.912 7.230 1.00 0.29 C ATOM 0 H THR A 30 10.047 4.760 4.865 1.00 0.23 H new ATOM 0 HA THR A 30 8.410 6.791 6.061 1.00 0.24 H new ATOM 0 HB THR A 30 8.925 4.636 7.138 1.00 0.28 H new ATOM 0 HG1 THR A 30 9.498 5.554 9.202 1.00 0.30 H new ATOM 0 HG21 THR A 30 11.178 4.231 8.071 1.00 0.29 H new ATOM 0 HG22 THR A 30 11.234 4.376 6.299 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.762 5.734 7.320 1.00 0.29 H new ATOM 454 N TRP A 31 11.600 7.428 5.663 1.00 0.22 N ATOM 455 CA TRP A 31 12.595 8.539 5.735 1.00 0.21 C ATOM 456 C TRP A 31 12.208 9.669 4.779 1.00 0.19 C ATOM 457 O TRP A 31 12.559 10.815 4.989 1.00 0.22 O ATOM 458 CB TRP A 31 13.978 8.031 5.347 1.00 0.23 C ATOM 459 CG TRP A 31 13.974 7.556 3.926 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.892 6.265 3.557 1.00 0.26 C ATOM 461 CD2 TRP A 31 14.045 8.330 2.689 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.952 6.181 2.179 1.00 0.25 N ATOM 463 CE2 TRP A 31 14.036 7.428 1.596 1.00 0.21 C ATOM 464 CE3 TRP A 31 14.127 9.705 2.409 1.00 0.21 C ATOM 465 CZ2 TRP A 31 14.104 7.877 0.278 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.191 10.160 1.083 1.00 0.23 C ATOM 467 CH2 TRP A 31 14.182 9.248 0.019 1.00 0.21 C ATOM 0 H TRP A 31 11.927 6.579 5.203 1.00 0.22 H new ATOM 0 HA TRP A 31 12.608 8.913 6.759 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.713 8.826 5.470 1.00 0.23 H new ATOM 0 HB3 TRP A 31 14.274 7.217 6.009 1.00 0.23 H new ATOM 0 HD1 TRP A 31 13.795 5.427 4.231 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.936 5.305 1.657 1.00 0.25 H new ATOM 0 HE3 TRP A 31 14.141 10.417 3.221 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 14.096 7.170 -0.538 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.248 11.219 0.881 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.235 9.604 -0.999 1.00 0.21 H new ATOM 478 N CYS A 32 11.507 9.363 3.717 1.00 0.18 N ATOM 479 CA CYS A 32 11.131 10.435 2.749 1.00 0.17 C ATOM 480 C CYS A 32 9.884 11.144 3.270 1.00 0.17 C ATOM 481 O CYS A 32 8.827 10.563 3.415 1.00 0.20 O ATOM 482 CB CYS A 32 10.863 9.813 1.363 1.00 0.18 C ATOM 483 SG CYS A 32 10.992 11.094 0.075 1.00 0.26 S ATOM 0 H CYS A 32 11.182 8.426 3.480 1.00 0.18 H new ATOM 0 HA CYS A 32 11.942 11.156 2.649 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.579 9.015 1.168 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.871 9.362 1.342 1.00 0.18 H new ATOM 488 N GLY A 33 10.024 12.403 3.582 1.00 0.20 N ATOM 489 CA GLY A 33 8.880 13.177 4.125 1.00 0.23 C ATOM 490 C GLY A 33 7.724 13.238 3.124 1.00 0.21 C ATOM 491 O GLY A 33 6.600 12.951 3.468 1.00 0.22 O ATOM 0 H GLY A 33 10.891 12.930 3.482 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.537 12.720 5.053 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.206 14.188 4.370 1.00 0.23 H new ATOM 495 N PRO A 34 7.972 13.635 1.900 1.00 0.21 N ATOM 496 CA PRO A 34 6.877 13.729 0.895 1.00 0.22 C ATOM 497 C PRO A 34 6.056 12.432 0.787 1.00 0.22 C ATOM 498 O PRO A 34 4.864 12.471 0.579 1.00 0.24 O ATOM 499 CB PRO A 34 7.658 14.012 -0.398 1.00 0.29 C ATOM 500 CG PRO A 34 9.034 14.555 0.013 1.00 0.31 C ATOM 501 CD PRO A 34 9.330 14.032 1.428 1.00 0.24 C ATOM 0 HA PRO A 34 6.133 14.486 1.143 1.00 0.22 H new ATOM 0 HB2 PRO A 34 7.764 13.103 -0.990 1.00 0.29 H new ATOM 0 HB3 PRO A 34 7.128 14.736 -1.017 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.802 14.225 -0.687 1.00 0.31 H new ATOM 0 HG3 PRO A 34 9.037 15.645 -0.002 1.00 0.31 H new ATOM 0 HD2 PRO A 34 10.021 13.189 1.416 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.775 14.799 2.062 1.00 0.24 H new ATOM 509 N ALA A 35 6.681 11.292 0.929 1.00 0.21 N ATOM 510 CA ALA A 35 5.919 10.011 0.824 1.00 0.23 C ATOM 511 C ALA A 35 5.106 9.774 2.099 1.00 0.23 C ATOM 512 O ALA A 35 3.908 9.581 2.054 1.00 0.22 O ATOM 513 CB ALA A 35 6.902 8.853 0.631 1.00 0.24 C ATOM 0 H ALA A 35 7.679 11.192 1.112 1.00 0.21 H new ATOM 0 HA ALA A 35 5.240 10.070 -0.026 1.00 0.23 H new ATOM 0 HB1 ALA A 35 6.350 7.916 0.554 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.477 9.012 -0.282 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.580 8.806 1.483 1.00 0.24 H new ATOM 519 N LYS A 36 5.744 9.785 3.235 1.00 0.25 N ATOM 520 CA LYS A 36 5.001 9.566 4.508 1.00 0.27 C ATOM 521 C LYS A 36 3.954 10.667 4.692 1.00 0.26 C ATOM 522 O LYS A 36 2.872 10.440 5.193 1.00 0.27 O ATOM 523 CB LYS A 36 5.973 9.578 5.684 1.00 0.33 C ATOM 524 CG LYS A 36 5.231 9.120 6.944 1.00 0.37 C ATOM 525 CD LYS A 36 6.150 9.237 8.165 1.00 0.44 C ATOM 526 CE LYS A 36 5.425 8.694 9.403 1.00 0.89 C ATOM 527 NZ LYS A 36 5.324 7.208 9.318 1.00 1.59 N ATOM 0 H LYS A 36 6.747 9.936 3.338 1.00 0.25 H new ATOM 0 HA LYS A 36 4.501 8.598 4.467 1.00 0.27 H new ATOM 0 HB2 LYS A 36 6.817 8.918 5.483 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.378 10.579 5.828 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.338 9.727 7.091 1.00 0.37 H new ATOM 0 HG3 LYS A 36 4.899 8.089 6.826 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.071 8.679 7.995 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.432 10.278 8.323 1.00 0.44 H new ATOM 0 HE2 LYS A 36 5.964 8.980 10.306 1.00 0.89 H new ATOM 0 HE3 LYS A 36 4.429 9.132 9.474 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 5.087 6.822 10.254 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 4.581 6.949 8.638 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 6.234 6.816 9.002 1.00 1.59 H new ATOM 541 N MET A 37 4.274 11.860 4.291 1.00 0.28 N ATOM 542 CA MET A 37 3.318 12.989 4.442 1.00 0.30 C ATOM 543 C MET A 37 2.027 12.649 3.707 1.00 0.25 C ATOM 544 O MET A 37 0.969 13.148 4.028 1.00 0.25 O ATOM 545 CB MET A 37 3.927 14.254 3.842 1.00 0.38 C ATOM 546 CG MET A 37 3.061 15.456 4.214 1.00 0.44 C ATOM 547 SD MET A 37 3.670 16.926 3.350 1.00 1.54 S ATOM 548 CE MET A 37 2.561 16.827 1.923 1.00 2.10 C ATOM 0 H MET A 37 5.165 12.106 3.861 1.00 0.28 H new ATOM 0 HA MET A 37 3.108 13.155 5.498 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.942 14.394 4.213 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.994 14.161 2.758 1.00 0.38 H new ATOM 0 HG2 MET A 37 2.022 15.267 3.945 1.00 0.44 H new ATOM 0 HG3 MET A 37 3.087 15.617 5.292 1.00 0.44 H new ATOM 0 HE1 MET A 37 2.766 17.655 1.245 1.00 2.10 H new ATOM 0 HE2 MET A 37 2.721 15.883 1.402 1.00 2.10 H new ATOM 0 HE3 MET A 37 1.526 16.883 2.262 1.00 2.10 H new ATOM 558 N ILE A 38 2.129 11.831 2.694 1.00 0.23 N ATOM 559 CA ILE A 38 0.935 11.442 1.887 1.00 0.25 C ATOM 560 C ILE A 38 0.208 10.223 2.477 1.00 0.26 C ATOM 561 O ILE A 38 -0.849 9.857 2.007 1.00 0.31 O ATOM 562 CB ILE A 38 1.380 11.112 0.457 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.977 12.370 -0.189 1.00 0.34 C ATOM 564 CG2 ILE A 38 0.173 10.625 -0.363 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.838 11.978 -1.388 1.00 0.49 C ATOM 0 H ILE A 38 3.005 11.408 2.386 1.00 0.23 H new ATOM 0 HA ILE A 38 0.241 12.283 1.896 1.00 0.25 H new ATOM 0 HB ILE A 38 2.133 10.324 0.481 1.00 0.33 H new ATOM 0 HG12 ILE A 38 1.178 13.040 -0.507 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.578 12.914 0.540 1.00 0.34 H new ATOM 0 HG21 ILE A 38 0.493 10.392 -1.378 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -0.245 9.731 0.100 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -0.586 11.407 -0.393 1.00 0.35 H new ATOM 0 HD11 ILE A 38 3.259 12.875 -1.842 1.00 0.49 H new ATOM 0 HD12 ILE A 38 3.646 11.325 -1.058 1.00 0.49 H new ATOM 0 HD13 ILE A 38 2.224 11.454 -2.121 1.00 0.49 H new ATOM 577 N LYS A 39 0.759 9.546 3.462 1.00 0.27 N ATOM 578 CA LYS A 39 0.043 8.334 3.968 1.00 0.34 C ATOM 579 C LYS A 39 -1.283 8.662 4.699 1.00 0.30 C ATOM 580 O LYS A 39 -2.172 7.846 4.683 1.00 0.33 O ATOM 581 CB LYS A 39 0.939 7.446 4.865 1.00 0.46 C ATOM 582 CG LYS A 39 1.063 7.956 6.325 1.00 0.50 C ATOM 583 CD LYS A 39 1.524 6.792 7.221 1.00 0.65 C ATOM 584 CE LYS A 39 1.194 7.066 8.682 1.00 0.80 C ATOM 585 NZ LYS A 39 1.640 5.894 9.485 1.00 0.75 N ATOM 0 H LYS A 39 1.641 9.771 3.921 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.211 7.770 3.071 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.536 6.433 4.877 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.934 7.388 4.424 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.777 8.778 6.378 1.00 0.50 H new ATOM 0 HG3 LYS A 39 0.105 8.343 6.672 1.00 0.50 H new ATOM 0 HD2 LYS A 39 1.040 5.869 6.902 1.00 0.65 H new ATOM 0 HD3 LYS A 39 2.598 6.645 7.108 1.00 0.65 H new ATOM 0 HE2 LYS A 39 1.695 7.973 9.022 1.00 0.80 H new ATOM 0 HE3 LYS A 39 0.123 7.227 8.807 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 0.926 5.678 10.210 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 1.760 5.071 8.861 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 2.546 6.114 9.946 1.00 0.75 H new ATOM 599 N PRO A 40 -1.453 9.796 5.364 1.00 0.26 N ATOM 600 CA PRO A 40 -2.740 10.041 6.075 1.00 0.25 C ATOM 601 C PRO A 40 -3.957 9.791 5.196 1.00 0.20 C ATOM 602 O PRO A 40 -4.940 9.267 5.660 1.00 0.21 O ATOM 603 CB PRO A 40 -2.620 11.515 6.471 1.00 0.26 C ATOM 604 CG PRO A 40 -1.130 11.866 6.447 1.00 0.28 C ATOM 605 CD PRO A 40 -0.445 10.888 5.478 1.00 0.27 C ATOM 0 HA PRO A 40 -2.891 9.368 6.919 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.176 12.147 5.778 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.040 11.683 7.463 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -0.983 12.896 6.121 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -0.700 11.783 7.445 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -0.236 11.351 4.514 1.00 0.27 H new ATOM 0 HD3 PRO A 40 0.505 10.525 5.870 1.00 0.27 H new ATOM 613 N PHE A 41 -3.918 10.123 3.937 1.00 0.16 N ATOM 614 CA PHE A 41 -5.116 9.824 3.116 1.00 0.13 C ATOM 615 C PHE A 41 -5.207 8.306 3.003 1.00 0.13 C ATOM 616 O PHE A 41 -6.251 7.710 3.158 1.00 0.15 O ATOM 617 CB PHE A 41 -4.978 10.413 1.713 1.00 0.14 C ATOM 618 CG PHE A 41 -5.066 11.918 1.758 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.005 12.663 2.277 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.206 12.569 1.266 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.078 14.061 2.308 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.281 13.967 1.295 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.218 14.713 1.817 1.00 0.37 C ATOM 0 H PHE A 41 -3.138 10.572 3.457 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.003 10.256 3.580 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -4.025 10.112 1.279 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.762 10.017 1.068 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.127 12.160 2.655 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.026 11.992 0.865 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -3.257 14.636 2.710 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.158 14.469 0.915 1.00 0.31 H new ATOM 0 HZ PHE A 41 -5.276 15.791 1.842 1.00 0.37 H new ATOM 633 N PHE A 42 -4.090 7.671 2.778 1.00 0.12 N ATOM 634 CA PHE A 42 -4.074 6.192 2.689 1.00 0.13 C ATOM 635 C PHE A 42 -4.547 5.585 4.019 1.00 0.14 C ATOM 636 O PHE A 42 -5.456 4.782 4.058 1.00 0.16 O ATOM 637 CB PHE A 42 -2.643 5.751 2.358 1.00 0.13 C ATOM 638 CG PHE A 42 -2.548 4.249 2.355 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.906 3.523 1.214 1.00 0.12 C ATOM 640 CD2 PHE A 42 -2.107 3.581 3.504 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.824 2.127 1.224 1.00 0.13 C ATOM 642 CE2 PHE A 42 -2.024 2.186 3.512 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.382 1.458 2.372 1.00 0.13 C ATOM 0 H PHE A 42 -3.183 8.121 2.652 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.750 5.845 1.908 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.350 6.143 1.384 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.949 6.165 3.090 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.245 4.039 0.328 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.831 4.144 4.384 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -3.102 1.564 0.345 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.684 1.670 4.398 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.317 0.380 2.377 1.00 0.13 H new ATOM 653 N HIS A 43 -3.934 5.971 5.107 1.00 0.16 N ATOM 654 CA HIS A 43 -4.326 5.424 6.438 1.00 0.18 C ATOM 655 C HIS A 43 -5.734 5.905 6.833 1.00 0.16 C ATOM 656 O HIS A 43 -6.523 5.162 7.378 1.00 0.16 O ATOM 657 CB HIS A 43 -3.300 5.912 7.474 1.00 0.23 C ATOM 658 CG HIS A 43 -3.635 5.350 8.820 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.017 4.216 9.319 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.539 5.735 9.769 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.558 3.959 10.523 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.493 4.857 10.847 1.00 0.31 N ATOM 0 H HIS A 43 -3.172 6.648 5.130 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.343 4.335 6.397 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.297 5.603 7.180 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.299 7.001 7.514 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.191 6.592 9.694 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.272 3.128 11.151 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.052 4.891 11.700 1.00 0.31 H new ATOM 670 N SER A 44 -6.047 7.145 6.568 1.00 0.15 N ATOM 671 CA SER A 44 -7.396 7.690 6.930 1.00 0.15 C ATOM 672 C SER A 44 -8.523 6.918 6.222 1.00 0.13 C ATOM 673 O SER A 44 -9.575 6.682 6.782 1.00 0.15 O ATOM 674 CB SER A 44 -7.477 9.165 6.535 1.00 0.18 C ATOM 675 OG SER A 44 -6.536 9.908 7.300 1.00 0.22 O ATOM 0 H SER A 44 -5.424 7.812 6.113 1.00 0.15 H new ATOM 0 HA SER A 44 -7.524 7.579 8.007 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.270 9.280 5.471 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.484 9.545 6.707 1.00 0.18 H new ATOM 0 HG SER A 44 -5.695 9.982 6.802 1.00 0.22 H new ATOM 681 N LEU A 45 -8.326 6.565 4.981 1.00 0.12 N ATOM 682 CA LEU A 45 -9.395 5.850 4.211 1.00 0.14 C ATOM 683 C LEU A 45 -9.691 4.479 4.831 1.00 0.13 C ATOM 684 O LEU A 45 -10.725 3.891 4.584 1.00 0.15 O ATOM 685 CB LEU A 45 -8.924 5.653 2.769 1.00 0.16 C ATOM 686 CG LEU A 45 -8.878 7.010 2.028 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.913 6.924 0.845 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.262 7.374 1.483 1.00 0.22 C ATOM 0 H LEU A 45 -7.467 6.740 4.460 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.305 6.450 4.238 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.936 5.194 2.762 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.597 4.970 2.250 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.548 7.769 2.737 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.885 7.883 0.328 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.915 6.678 1.207 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -8.250 6.150 0.156 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.209 8.332 0.965 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.593 6.603 0.787 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.970 7.447 2.308 1.00 0.22 H new ATOM 700 N SER A 46 -8.788 3.947 5.608 1.00 0.12 N ATOM 701 CA SER A 46 -9.032 2.601 6.200 1.00 0.12 C ATOM 702 C SER A 46 -10.395 2.591 6.876 1.00 0.14 C ATOM 703 O SER A 46 -11.131 1.628 6.800 1.00 0.16 O ATOM 704 CB SER A 46 -7.944 2.285 7.226 1.00 0.13 C ATOM 705 OG SER A 46 -6.680 2.303 6.574 1.00 0.14 O ATOM 0 H SER A 46 -7.899 4.381 5.857 1.00 0.12 H new ATOM 0 HA SER A 46 -9.010 1.846 5.414 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.963 3.017 8.033 1.00 0.13 H new ATOM 0 HB3 SER A 46 -8.122 1.309 7.677 1.00 0.13 H new ATOM 0 HG SER A 46 -6.281 3.194 6.659 1.00 0.14 H new ATOM 711 N GLU A 47 -10.741 3.652 7.538 1.00 0.15 N ATOM 712 CA GLU A 47 -12.065 3.706 8.210 1.00 0.18 C ATOM 713 C GLU A 47 -13.146 4.074 7.187 1.00 0.18 C ATOM 714 O GLU A 47 -14.319 3.877 7.427 1.00 0.21 O ATOM 715 CB GLU A 47 -12.037 4.773 9.303 1.00 0.22 C ATOM 716 CG GLU A 47 -11.137 4.326 10.459 1.00 0.23 C ATOM 717 CD GLU A 47 -11.730 3.097 11.150 1.00 1.34 C ATOM 718 OE1 GLU A 47 -12.889 2.802 10.908 1.00 2.16 O ATOM 719 OE2 GLU A 47 -11.015 2.473 11.917 1.00 2.05 O ATOM 0 H GLU A 47 -10.165 4.487 7.644 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.286 2.732 8.646 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.672 5.715 8.892 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -13.047 4.955 9.669 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -10.140 4.095 10.084 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -11.027 5.138 11.178 1.00 0.23 H new ATOM 726 N LYS A 48 -12.778 4.612 6.046 1.00 0.17 N ATOM 727 CA LYS A 48 -13.829 4.971 5.046 1.00 0.19 C ATOM 728 C LYS A 48 -14.274 3.681 4.376 1.00 0.18 C ATOM 729 O LYS A 48 -15.443 3.464 4.121 1.00 0.21 O ATOM 730 CB LYS A 48 -13.273 5.945 4.004 1.00 0.20 C ATOM 731 CG LYS A 48 -14.405 6.373 3.054 1.00 0.30 C ATOM 732 CD LYS A 48 -13.845 7.230 1.911 1.00 0.82 C ATOM 733 CE LYS A 48 -13.592 8.665 2.398 1.00 1.03 C ATOM 734 NZ LYS A 48 -13.183 9.518 1.244 1.00 1.78 N ATOM 0 H LYS A 48 -11.817 4.813 5.770 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.669 5.462 5.537 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.846 6.819 4.497 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.469 5.473 3.440 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.901 5.491 2.648 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -15.158 6.937 3.605 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -12.916 6.795 1.542 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -14.546 7.240 1.077 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -14.493 9.068 2.860 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -12.814 8.669 3.161 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -13.012 10.489 1.574 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -12.312 9.137 0.822 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -13.940 9.523 0.531 1.00 1.78 H new ATOM 748 N TYR A 49 -13.333 2.806 4.132 1.00 0.16 N ATOM 749 CA TYR A 49 -13.646 1.479 3.525 1.00 0.17 C ATOM 750 C TYR A 49 -13.157 0.431 4.514 1.00 0.16 C ATOM 751 O TYR A 49 -12.210 -0.288 4.268 1.00 0.16 O ATOM 752 CB TYR A 49 -12.905 1.309 2.189 1.00 0.17 C ATOM 753 CG TYR A 49 -13.389 2.344 1.201 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.631 2.186 0.576 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.600 3.465 0.917 1.00 0.19 C ATOM 756 CE1 TYR A 49 -15.086 3.150 -0.332 1.00 0.25 C ATOM 757 CE2 TYR A 49 -13.056 4.428 0.009 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.298 4.272 -0.615 1.00 0.21 C ATOM 759 OH TYR A 49 -14.748 5.222 -1.508 1.00 0.25 O ATOM 0 H TYR A 49 -12.344 2.958 4.331 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.714 1.384 3.327 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.831 1.413 2.342 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -13.075 0.308 1.793 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -15.239 1.320 0.794 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.641 3.587 1.398 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -16.045 3.028 -0.814 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.448 5.293 -0.210 1.00 0.20 H new ATOM 0 HH TYR A 49 -14.213 6.038 -1.415 1.00 0.25 H new ATOM 769 N SER A 50 -13.809 0.344 5.638 1.00 0.17 N ATOM 770 CA SER A 50 -13.404 -0.639 6.670 1.00 0.18 C ATOM 771 C SER A 50 -13.572 -2.042 6.101 1.00 0.19 C ATOM 772 O SER A 50 -13.152 -3.019 6.687 1.00 0.21 O ATOM 773 CB SER A 50 -14.288 -0.461 7.902 1.00 0.20 C ATOM 774 OG SER A 50 -15.613 -0.877 7.588 1.00 0.22 O ATOM 0 H SER A 50 -14.614 0.920 5.885 1.00 0.17 H new ATOM 0 HA SER A 50 -12.363 -0.487 6.955 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.897 -1.047 8.734 1.00 0.20 H new ATOM 0 HB3 SER A 50 -14.286 0.582 8.219 1.00 0.20 H new ATOM 0 HG SER A 50 -16.186 -0.767 8.376 1.00 0.22 H new ATOM 780 N ASN A 51 -14.184 -2.142 4.951 1.00 0.20 N ATOM 781 CA ASN A 51 -14.387 -3.478 4.323 1.00 0.23 C ATOM 782 C ASN A 51 -13.208 -3.792 3.404 1.00 0.19 C ATOM 783 O ASN A 51 -13.215 -4.764 2.676 1.00 0.22 O ATOM 784 CB ASN A 51 -15.673 -3.461 3.496 1.00 0.32 C ATOM 785 CG ASN A 51 -16.005 -4.888 3.065 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.367 -5.711 3.882 1.00 1.13 O ATOM 787 ND2 ASN A 51 -15.893 -5.222 1.809 1.00 0.27 N ATOM 0 H ASN A 51 -14.553 -1.354 4.419 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.459 -4.237 5.102 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.492 -3.044 4.082 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.550 -2.822 2.621 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.109 -6.174 1.513 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.589 -4.531 1.123 1.00 0.27 H new ATOM 794 N VAL A 52 -12.189 -2.975 3.452 1.00 0.21 N ATOM 795 CA VAL A 52 -10.978 -3.193 2.611 1.00 0.17 C ATOM 796 C VAL A 52 -9.760 -3.185 3.533 1.00 0.13 C ATOM 797 O VAL A 52 -9.750 -2.506 4.541 1.00 0.14 O ATOM 798 CB VAL A 52 -10.869 -2.065 1.580 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.492 -2.105 0.897 1.00 0.19 C ATOM 800 CG2 VAL A 52 -11.972 -2.236 0.531 1.00 0.24 C ATOM 0 H VAL A 52 -12.146 -2.150 4.051 1.00 0.21 H new ATOM 0 HA VAL A 52 -11.038 -4.144 2.081 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.984 -1.104 2.082 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.425 -1.299 0.166 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.710 -1.981 1.647 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.363 -3.063 0.394 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.900 -1.436 -0.206 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.855 -3.199 0.034 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -12.946 -2.195 1.018 1.00 0.24 H new ATOM 810 N ILE A 53 -8.742 -3.953 3.226 1.00 0.11 N ATOM 811 CA ILE A 53 -7.546 -3.993 4.132 1.00 0.09 C ATOM 812 C ILE A 53 -6.434 -3.089 3.568 1.00 0.09 C ATOM 813 O ILE A 53 -5.964 -3.286 2.463 1.00 0.12 O ATOM 814 CB ILE A 53 -7.038 -5.442 4.213 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.221 -6.380 4.510 1.00 0.13 C ATOM 816 CG2 ILE A 53 -5.985 -5.577 5.335 1.00 0.13 C ATOM 817 CD1 ILE A 53 -9.005 -5.878 5.730 1.00 0.15 C ATOM 0 H ILE A 53 -8.685 -4.547 2.399 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.823 -3.637 5.124 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.580 -5.711 3.261 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -8.879 -6.432 3.643 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.856 -7.390 4.694 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.633 -6.608 5.382 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.144 -4.916 5.126 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.434 -5.303 6.290 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.839 -6.551 5.929 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.347 -5.849 6.599 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.386 -4.877 5.530 1.00 0.15 H new ATOM 829 N PHE A 54 -6.008 -2.100 4.329 1.00 0.08 N ATOM 830 CA PHE A 54 -4.920 -1.177 3.852 1.00 0.09 C ATOM 831 C PHE A 54 -3.589 -1.548 4.531 1.00 0.09 C ATOM 832 O PHE A 54 -3.492 -1.558 5.741 1.00 0.12 O ATOM 833 CB PHE A 54 -5.264 0.274 4.234 1.00 0.10 C ATOM 834 CG PHE A 54 -6.452 0.765 3.437 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.740 0.356 3.787 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.267 1.638 2.352 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.845 0.813 3.057 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.374 2.094 1.622 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.661 1.681 1.975 1.00 0.10 C ATOM 0 H PHE A 54 -6.368 -1.893 5.261 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.832 -1.272 2.770 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.484 0.333 5.300 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.404 0.918 4.050 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.885 -0.314 4.622 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.272 1.958 2.080 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.840 0.495 3.330 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.232 2.764 0.787 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.514 2.032 1.413 1.00 0.10 H new ATOM 849 N LEU A 55 -2.553 -1.828 3.763 1.00 0.09 N ATOM 850 CA LEU A 55 -1.209 -2.170 4.363 1.00 0.11 C ATOM 851 C LEU A 55 -0.203 -1.062 4.069 1.00 0.10 C ATOM 852 O LEU A 55 -0.165 -0.508 2.990 1.00 0.10 O ATOM 853 CB LEU A 55 -0.628 -3.486 3.794 1.00 0.12 C ATOM 854 CG LEU A 55 -1.379 -4.726 4.309 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.890 -4.589 4.121 1.00 0.20 C ATOM 856 CD2 LEU A 55 -0.874 -5.958 3.554 1.00 0.22 C ATOM 0 H LEU A 55 -2.579 -1.835 2.743 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.372 -2.284 5.435 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.676 -3.461 2.705 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.425 -3.563 4.065 1.00 0.12 H new ATOM 0 HG LEU A 55 -1.188 -4.828 5.377 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.386 -5.484 4.496 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.248 -3.718 4.671 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.115 -4.467 3.062 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.399 -6.844 3.911 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.058 -5.832 2.487 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.196 -6.077 3.726 1.00 0.22 H new ATOM 868 N GLU A 56 0.646 -0.774 5.022 1.00 0.12 N ATOM 869 CA GLU A 56 1.705 0.260 4.828 1.00 0.13 C ATOM 870 C GLU A 56 3.047 -0.463 4.771 1.00 0.13 C ATOM 871 O GLU A 56 3.313 -1.334 5.576 1.00 0.14 O ATOM 872 CB GLU A 56 1.701 1.240 5.999 1.00 0.15 C ATOM 873 CG GLU A 56 2.619 2.418 5.668 1.00 0.17 C ATOM 874 CD GLU A 56 2.859 3.256 6.929 1.00 0.20 C ATOM 875 OE1 GLU A 56 1.902 3.811 7.445 1.00 1.05 O ATOM 876 OE2 GLU A 56 3.999 3.330 7.358 1.00 1.13 O ATOM 0 H GLU A 56 0.650 -1.219 5.940 1.00 0.12 H new ATOM 0 HA GLU A 56 1.526 0.820 3.910 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.688 1.594 6.189 1.00 0.15 H new ATOM 0 HB3 GLU A 56 2.040 0.742 6.907 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.568 2.053 5.276 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.169 3.035 4.890 1.00 0.17 H new ATOM 883 N VAL A 57 3.883 -0.143 3.811 1.00 0.12 N ATOM 884 CA VAL A 57 5.198 -0.856 3.689 1.00 0.12 C ATOM 885 C VAL A 57 6.371 0.133 3.588 1.00 0.11 C ATOM 886 O VAL A 57 6.305 1.139 2.912 1.00 0.13 O ATOM 887 CB VAL A 57 5.164 -1.715 2.435 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.459 -2.517 2.340 1.00 0.15 C ATOM 889 CG2 VAL A 57 3.975 -2.671 2.517 1.00 0.14 C ATOM 0 H VAL A 57 3.714 0.578 3.109 1.00 0.12 H new ATOM 0 HA VAL A 57 5.347 -1.465 4.580 1.00 0.12 H new ATOM 0 HB VAL A 57 5.064 -1.082 1.553 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.439 -3.135 1.442 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.307 -1.834 2.292 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.557 -3.156 3.218 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.944 -3.291 1.621 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.080 -3.308 3.395 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.051 -2.097 2.594 1.00 0.14 H new ATOM 899 N ASP A 58 7.448 -0.180 4.263 1.00 0.10 N ATOM 900 CA ASP A 58 8.672 0.683 4.248 1.00 0.09 C ATOM 901 C ASP A 58 9.713 0.060 3.318 1.00 0.09 C ATOM 902 O ASP A 58 10.175 -1.040 3.546 1.00 0.09 O ATOM 903 CB ASP A 58 9.243 0.710 5.663 1.00 0.10 C ATOM 904 CG ASP A 58 10.345 1.767 5.768 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.763 2.267 4.737 1.00 1.05 O ATOM 906 OD2 ASP A 58 10.753 2.057 6.882 1.00 1.02 O ATOM 0 H ASP A 58 7.533 -1.018 4.838 1.00 0.10 H new ATOM 0 HA ASP A 58 8.425 1.688 3.906 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.450 0.928 6.379 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.644 -0.271 5.920 1.00 0.10 H new ATOM 911 N VAL A 59 10.120 0.754 2.298 1.00 0.09 N ATOM 912 CA VAL A 59 11.151 0.178 1.396 1.00 0.10 C ATOM 913 C VAL A 59 12.464 0.090 2.159 1.00 0.11 C ATOM 914 O VAL A 59 13.371 -0.613 1.769 1.00 0.12 O ATOM 915 CB VAL A 59 11.345 1.082 0.180 1.00 0.12 C ATOM 916 CG1 VAL A 59 10.042 1.149 -0.613 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.742 2.486 0.642 1.00 0.16 C ATOM 0 H VAL A 59 9.788 1.686 2.050 1.00 0.09 H new ATOM 0 HA VAL A 59 10.833 -0.809 1.061 1.00 0.10 H new ATOM 0 HB VAL A 59 12.134 0.677 -0.453 1.00 0.12 H new ATOM 0 HG11 VAL A 59 10.177 1.794 -1.482 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.765 0.148 -0.944 1.00 0.14 H new ATOM 0 HG13 VAL A 59 9.252 1.554 0.019 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.880 3.130 -0.227 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.956 2.896 1.276 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.673 2.434 1.206 1.00 0.16 H new ATOM 927 N ASP A 60 12.586 0.827 3.237 1.00 0.10 N ATOM 928 CA ASP A 60 13.862 0.806 4.014 1.00 0.12 C ATOM 929 C ASP A 60 13.822 -0.244 5.144 1.00 0.13 C ATOM 930 O ASP A 60 14.786 -0.954 5.358 1.00 0.15 O ATOM 931 CB ASP A 60 14.097 2.203 4.590 1.00 0.14 C ATOM 932 CG ASP A 60 14.678 3.117 3.502 1.00 0.16 C ATOM 933 OD1 ASP A 60 13.904 3.643 2.718 1.00 1.07 O ATOM 934 OD2 ASP A 60 15.890 3.271 3.470 1.00 1.08 O ATOM 0 H ASP A 60 11.860 1.439 3.610 1.00 0.10 H new ATOM 0 HA ASP A 60 14.681 0.528 3.350 1.00 0.12 H new ATOM 0 HB2 ASP A 60 13.160 2.616 4.964 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.781 2.148 5.437 1.00 0.14 H new ATOM 939 N ASP A 61 12.726 -0.373 5.855 1.00 0.13 N ATOM 940 CA ASP A 61 12.657 -1.405 6.949 1.00 0.15 C ATOM 941 C ASP A 61 11.996 -2.656 6.380 1.00 0.14 C ATOM 942 O ASP A 61 12.061 -3.730 6.947 1.00 0.19 O ATOM 943 CB ASP A 61 11.838 -0.873 8.131 1.00 0.16 C ATOM 944 CG ASP A 61 12.572 0.315 8.753 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.661 0.619 8.293 1.00 1.07 O ATOM 946 OD2 ASP A 61 12.035 0.901 9.678 1.00 1.01 O ATOM 0 H ASP A 61 11.881 0.185 5.730 1.00 0.13 H new ATOM 0 HA ASP A 61 13.660 -1.636 7.307 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.847 -0.569 7.795 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.696 -1.658 8.874 1.00 0.16 H new ATOM 951 N ALA A 62 11.367 -2.511 5.244 1.00 0.11 N ATOM 952 CA ALA A 62 10.697 -3.663 4.572 1.00 0.12 C ATOM 953 C ALA A 62 11.269 -3.757 3.157 1.00 0.11 C ATOM 954 O ALA A 62 10.566 -3.995 2.194 1.00 0.12 O ATOM 955 CB ALA A 62 9.177 -3.427 4.532 1.00 0.14 C ATOM 0 H ALA A 62 11.288 -1.625 4.744 1.00 0.11 H new ATOM 0 HA ALA A 62 10.875 -4.593 5.112 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.691 -4.270 4.041 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.797 -3.331 5.549 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.965 -2.513 3.978 1.00 0.14 H new ATOM 961 N GLN A 63 12.546 -3.539 3.039 1.00 0.11 N ATOM 962 CA GLN A 63 13.204 -3.577 1.706 1.00 0.12 C ATOM 963 C GLN A 63 13.038 -4.974 1.093 1.00 0.12 C ATOM 964 O GLN A 63 13.150 -5.156 -0.103 1.00 0.14 O ATOM 965 CB GLN A 63 14.696 -3.232 1.869 1.00 0.13 C ATOM 966 CG GLN A 63 15.424 -4.370 2.590 1.00 0.15 C ATOM 967 CD GLN A 63 16.849 -3.936 2.955 1.00 0.77 C ATOM 968 OE1 GLN A 63 17.361 -2.969 2.425 1.00 1.47 O ATOM 969 NE2 GLN A 63 17.517 -4.623 3.844 1.00 1.43 N ATOM 0 H GLN A 63 13.170 -3.333 3.819 1.00 0.11 H new ATOM 0 HA GLN A 63 12.742 -2.848 1.041 1.00 0.12 H new ATOM 0 HB2 GLN A 63 15.147 -3.063 0.891 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.803 -2.306 2.434 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.878 -4.648 3.491 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.457 -5.253 1.952 1.00 0.15 H new ATOM 0 HE21 GLN A 63 17.088 -5.434 4.289 1.00 1.43 H new ATOM 0 HE22 GLN A 63 18.467 -4.348 4.093 1.00 1.43 H new ATOM 978 N ASP A 64 12.761 -5.958 1.905 1.00 0.13 N ATOM 979 CA ASP A 64 12.575 -7.341 1.378 1.00 0.13 C ATOM 980 C ASP A 64 11.307 -7.400 0.524 1.00 0.15 C ATOM 981 O ASP A 64 11.263 -8.038 -0.509 1.00 0.16 O ATOM 982 CB ASP A 64 12.427 -8.298 2.561 1.00 0.17 C ATOM 983 CG ASP A 64 11.376 -7.745 3.522 1.00 0.21 C ATOM 984 OD1 ASP A 64 11.684 -6.803 4.230 1.00 1.05 O ATOM 985 OD2 ASP A 64 10.276 -8.265 3.521 1.00 1.02 O ATOM 0 H ASP A 64 12.655 -5.863 2.915 1.00 0.13 H new ATOM 0 HA ASP A 64 13.433 -7.622 0.768 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.133 -9.287 2.210 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.382 -8.413 3.074 1.00 0.17 H new ATOM 990 N VAL A 65 10.280 -6.734 0.962 1.00 0.17 N ATOM 991 CA VAL A 65 8.996 -6.725 0.217 1.00 0.22 C ATOM 992 C VAL A 65 9.136 -5.861 -1.041 1.00 0.22 C ATOM 993 O VAL A 65 8.664 -6.205 -2.107 1.00 0.26 O ATOM 994 CB VAL A 65 7.927 -6.119 1.130 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.537 -6.415 0.578 1.00 0.35 C ATOM 996 CG2 VAL A 65 8.065 -6.709 2.537 1.00 0.32 C ATOM 0 H VAL A 65 10.277 -6.185 1.822 1.00 0.17 H new ATOM 0 HA VAL A 65 8.722 -7.738 -0.078 1.00 0.22 H new ATOM 0 HB VAL A 65 8.064 -5.039 1.174 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.784 -5.979 1.235 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.442 -5.984 -0.419 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.390 -7.494 0.522 1.00 0.35 H new ATOM 0 HG21 VAL A 65 7.304 -6.278 3.188 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.935 -7.790 2.493 1.00 0.32 H new ATOM 0 HG23 VAL A 65 9.054 -6.479 2.933 1.00 0.32 H new ATOM 1006 N ALA A 66 9.773 -4.730 -0.911 1.00 0.19 N ATOM 1007 CA ALA A 66 9.942 -3.825 -2.079 1.00 0.22 C ATOM 1008 C ALA A 66 10.934 -4.426 -3.083 1.00 0.23 C ATOM 1009 O ALA A 66 10.743 -4.334 -4.281 1.00 0.26 O ATOM 1010 CB ALA A 66 10.460 -2.470 -1.595 1.00 0.25 C ATOM 0 H ALA A 66 10.185 -4.394 -0.041 1.00 0.19 H new ATOM 0 HA ALA A 66 8.979 -3.699 -2.573 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.586 -1.803 -2.448 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.745 -2.035 -0.897 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.419 -2.605 -1.095 1.00 0.25 H new ATOM 1016 N SER A 67 11.997 -5.028 -2.612 1.00 0.21 N ATOM 1017 CA SER A 67 12.990 -5.616 -3.564 1.00 0.23 C ATOM 1018 C SER A 67 12.292 -6.681 -4.406 1.00 0.23 C ATOM 1019 O SER A 67 12.571 -6.847 -5.576 1.00 0.24 O ATOM 1020 CB SER A 67 14.140 -6.268 -2.791 1.00 0.23 C ATOM 1021 OG SER A 67 13.634 -7.364 -2.044 1.00 0.22 O ATOM 0 H SER A 67 12.219 -5.138 -1.623 1.00 0.21 H new ATOM 0 HA SER A 67 13.390 -4.827 -4.201 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.912 -6.608 -3.481 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.605 -5.541 -2.125 1.00 0.23 H new ATOM 0 HG SER A 67 12.752 -7.135 -1.683 1.00 0.22 H new ATOM 1027 N GLU A 68 11.378 -7.397 -3.816 1.00 0.23 N ATOM 1028 CA GLU A 68 10.645 -8.448 -4.570 1.00 0.25 C ATOM 1029 C GLU A 68 9.857 -7.799 -5.711 1.00 0.22 C ATOM 1030 O GLU A 68 9.763 -8.333 -6.799 1.00 0.24 O ATOM 1031 CB GLU A 68 9.678 -9.161 -3.619 1.00 0.29 C ATOM 1032 CG GLU A 68 9.045 -10.361 -4.326 1.00 0.32 C ATOM 1033 CD GLU A 68 7.999 -11.001 -3.412 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.529 -10.322 -2.514 1.00 2.06 O ATOM 1035 OE2 GLU A 68 7.684 -12.160 -3.626 1.00 1.96 O ATOM 0 H GLU A 68 11.106 -7.298 -2.838 1.00 0.23 H new ATOM 0 HA GLU A 68 11.351 -9.168 -4.984 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.209 -9.492 -2.727 1.00 0.29 H new ATOM 0 HB3 GLU A 68 8.902 -8.470 -3.290 1.00 0.29 H new ATOM 0 HG2 GLU A 68 8.581 -10.043 -5.260 1.00 0.32 H new ATOM 0 HG3 GLU A 68 9.813 -11.091 -4.584 1.00 0.32 H new ATOM 1042 N ALA A 69 9.267 -6.660 -5.461 1.00 0.20 N ATOM 1043 CA ALA A 69 8.461 -5.982 -6.517 1.00 0.20 C ATOM 1044 C ALA A 69 9.345 -5.105 -7.410 1.00 0.19 C ATOM 1045 O ALA A 69 8.864 -4.489 -8.340 1.00 0.20 O ATOM 1046 CB ALA A 69 7.402 -5.108 -5.853 1.00 0.23 C ATOM 0 H ALA A 69 9.309 -6.169 -4.568 1.00 0.20 H new ATOM 0 HA ALA A 69 7.993 -6.746 -7.137 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.809 -4.609 -6.620 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.751 -5.729 -5.238 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.888 -4.360 -5.227 1.00 0.23 H new ATOM 1052 N GLU A 70 10.619 -5.028 -7.138 1.00 0.18 N ATOM 1053 CA GLU A 70 11.511 -4.179 -7.983 1.00 0.18 C ATOM 1054 C GLU A 70 10.959 -2.758 -8.033 1.00 0.17 C ATOM 1055 O GLU A 70 10.806 -2.185 -9.093 1.00 0.18 O ATOM 1056 CB GLU A 70 11.594 -4.728 -9.415 1.00 0.22 C ATOM 1057 CG GLU A 70 12.358 -6.051 -9.429 1.00 0.24 C ATOM 1058 CD GLU A 70 11.503 -7.157 -8.805 1.00 1.24 C ATOM 1059 OE1 GLU A 70 10.290 -7.052 -8.872 1.00 2.02 O ATOM 1060 OE2 GLU A 70 12.077 -8.095 -8.277 1.00 2.02 O ATOM 0 H GLU A 70 11.081 -5.514 -6.370 1.00 0.18 H new ATOM 0 HA GLU A 70 12.508 -4.185 -7.543 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.591 -4.875 -9.815 1.00 0.22 H new ATOM 0 HB3 GLU A 70 12.092 -4.005 -10.061 1.00 0.22 H new ATOM 0 HG2 GLU A 70 12.621 -6.317 -10.453 1.00 0.24 H new ATOM 0 HG3 GLU A 70 13.292 -5.947 -8.877 1.00 0.24 H new ATOM 1067 N VAL A 71 10.649 -2.177 -6.907 1.00 0.15 N ATOM 1068 CA VAL A 71 10.086 -0.799 -6.934 1.00 0.14 C ATOM 1069 C VAL A 71 11.155 0.170 -7.432 1.00 0.14 C ATOM 1070 O VAL A 71 12.285 0.152 -6.984 1.00 0.16 O ATOM 1071 CB VAL A 71 9.660 -0.385 -5.527 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.945 0.964 -5.603 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.707 -1.438 -4.950 1.00 0.15 C ATOM 0 H VAL A 71 10.759 -2.590 -5.981 1.00 0.15 H new ATOM 0 HA VAL A 71 9.221 -0.778 -7.597 1.00 0.14 H new ATOM 0 HB VAL A 71 10.536 -0.303 -4.884 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.636 1.269 -4.603 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.621 1.711 -6.018 1.00 0.14 H new ATOM 0 HG13 VAL A 71 8.067 0.875 -6.242 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.403 -1.142 -3.946 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.826 -1.519 -5.587 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.213 -2.402 -4.907 1.00 0.15 H new ATOM 1083 N LYS A 72 10.803 1.009 -8.375 1.00 0.15 N ATOM 1084 CA LYS A 72 11.784 1.984 -8.929 1.00 0.16 C ATOM 1085 C LYS A 72 11.511 3.389 -8.369 1.00 0.15 C ATOM 1086 O LYS A 72 12.302 4.294 -8.545 1.00 0.16 O ATOM 1087 CB LYS A 72 11.650 2.002 -10.455 1.00 0.19 C ATOM 1088 CG LYS A 72 11.938 0.599 -11.029 1.00 0.23 C ATOM 1089 CD LYS A 72 13.430 0.257 -10.886 1.00 0.74 C ATOM 1090 CE LYS A 72 13.797 -0.863 -11.861 1.00 0.88 C ATOM 1091 NZ LYS A 72 15.240 -1.196 -11.704 1.00 1.60 N ATOM 0 H LYS A 72 9.871 1.058 -8.786 1.00 0.15 H new ATOM 0 HA LYS A 72 12.794 1.687 -8.645 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.646 2.319 -10.736 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.344 2.727 -10.880 1.00 0.19 H new ATOM 0 HG2 LYS A 72 11.336 -0.145 -10.507 1.00 0.23 H new ATOM 0 HG3 LYS A 72 11.649 0.563 -12.079 1.00 0.23 H new ATOM 0 HD2 LYS A 72 14.036 1.140 -11.086 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.646 -0.052 -9.863 1.00 0.74 H new ATOM 0 HE2 LYS A 72 13.185 -1.744 -11.668 1.00 0.88 H new ATOM 0 HE3 LYS A 72 13.593 -0.551 -12.885 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 15.495 -1.957 -12.365 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 15.815 -0.354 -11.908 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 15.420 -1.510 -10.729 1.00 1.60 H new ATOM 1105 N ALA A 73 10.398 3.589 -7.706 1.00 0.13 N ATOM 1106 CA ALA A 73 10.098 4.948 -7.157 1.00 0.13 C ATOM 1107 C ALA A 73 9.008 4.861 -6.071 1.00 0.11 C ATOM 1108 O ALA A 73 8.191 3.963 -6.064 1.00 0.12 O ATOM 1109 CB ALA A 73 9.633 5.852 -8.319 1.00 0.14 C ATOM 0 H ALA A 73 9.691 2.878 -7.523 1.00 0.13 H new ATOM 0 HA ALA A 73 10.993 5.368 -6.698 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.409 6.848 -7.938 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.423 5.919 -9.067 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.738 5.428 -8.774 1.00 0.14 H new ATOM 1115 N THR A 74 8.984 5.818 -5.174 1.00 0.11 N ATOM 1116 CA THR A 74 7.952 5.844 -4.085 1.00 0.11 C ATOM 1117 C THR A 74 7.324 7.251 -4.064 1.00 0.12 C ATOM 1118 O THR A 74 7.975 8.202 -4.428 1.00 0.15 O ATOM 1119 CB THR A 74 8.646 5.563 -2.730 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.451 6.672 -2.376 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.517 4.308 -2.812 1.00 0.14 C ATOM 0 H THR A 74 9.645 6.594 -5.149 1.00 0.11 H new ATOM 0 HA THR A 74 7.183 5.090 -4.257 1.00 0.11 H new ATOM 0 HB THR A 74 7.878 5.402 -1.974 1.00 0.12 H new ATOM 0 HG1 THR A 74 9.890 6.497 -1.517 1.00 0.15 H new ATOM 0 HG21 THR A 74 9.994 4.132 -1.848 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.896 3.451 -3.072 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.283 4.446 -3.575 1.00 0.14 H new ATOM 1129 N PRO A 75 6.097 7.417 -3.605 1.00 0.13 N ATOM 1130 CA PRO A 75 5.228 6.295 -3.133 1.00 0.10 C ATOM 1131 C PRO A 75 4.638 5.464 -4.280 1.00 0.09 C ATOM 1132 O PRO A 75 4.230 5.989 -5.298 1.00 0.10 O ATOM 1133 CB PRO A 75 4.114 7.055 -2.396 1.00 0.12 C ATOM 1134 CG PRO A 75 4.098 8.490 -2.943 1.00 0.15 C ATOM 1135 CD PRO A 75 5.492 8.780 -3.522 1.00 0.16 C ATOM 0 HA PRO A 75 5.774 5.569 -2.530 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.150 6.573 -2.556 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.296 7.056 -1.321 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.333 8.598 -3.712 1.00 0.15 H new ATOM 0 HG3 PRO A 75 3.857 9.199 -2.151 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.434 9.258 -4.500 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.070 9.442 -2.877 1.00 0.16 H new ATOM 1143 N THR A 76 4.542 4.174 -4.088 1.00 0.09 N ATOM 1144 CA THR A 76 3.932 3.284 -5.123 1.00 0.09 C ATOM 1145 C THR A 76 2.819 2.485 -4.464 1.00 0.10 C ATOM 1146 O THR A 76 2.981 1.936 -3.392 1.00 0.12 O ATOM 1147 CB THR A 76 4.976 2.326 -5.693 1.00 0.10 C ATOM 1148 OG1 THR A 76 6.018 3.080 -6.286 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.327 1.418 -6.744 1.00 0.13 C ATOM 0 H THR A 76 4.864 3.693 -3.248 1.00 0.09 H new ATOM 0 HA THR A 76 3.541 3.890 -5.941 1.00 0.09 H new ATOM 0 HB THR A 76 5.382 1.706 -4.894 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.788 3.107 -5.680 1.00 0.11 H new ATOM 0 HG21 THR A 76 5.075 0.736 -7.148 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.524 0.843 -6.282 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.919 2.028 -7.550 1.00 0.13 H new ATOM 1157 N PHE A 77 1.681 2.439 -5.086 1.00 0.10 N ATOM 1158 CA PHE A 77 0.530 1.695 -4.509 1.00 0.10 C ATOM 1159 C PHE A 77 0.301 0.422 -5.336 1.00 0.10 C ATOM 1160 O PHE A 77 0.219 0.466 -6.550 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.705 2.593 -4.586 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.443 3.879 -3.828 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.657 3.954 -2.443 1.00 0.18 C ATOM 1164 CD2 PHE A 77 -0.001 5.011 -4.526 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.433 5.160 -1.762 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.229 6.214 -3.846 1.00 0.16 C ATOM 1167 CZ PHE A 77 0.011 6.291 -2.463 1.00 0.19 C ATOM 0 H PHE A 77 1.494 2.890 -5.981 1.00 0.10 H new ATOM 0 HA PHE A 77 0.724 1.421 -3.472 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -0.943 2.814 -5.627 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.568 2.079 -4.164 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -0.994 3.083 -1.901 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.163 4.956 -5.592 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.603 5.218 -0.697 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.574 7.082 -4.387 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.185 7.219 -1.939 1.00 0.19 H new ATOM 1177 N GLN A 78 0.181 -0.709 -4.684 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.057 -1.999 -5.409 1.00 0.09 C ATOM 1179 C GLN A 78 -1.340 -2.606 -4.882 1.00 0.08 C ATOM 1180 O GLN A 78 -1.632 -2.534 -3.705 1.00 0.09 O ATOM 1181 CB GLN A 78 1.101 -2.973 -5.167 1.00 0.09 C ATOM 1182 CG GLN A 78 2.345 -2.504 -5.925 1.00 0.12 C ATOM 1183 CD GLN A 78 3.454 -3.543 -5.760 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.183 -4.706 -5.542 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.700 -3.174 -5.854 1.00 0.29 N ATOM 0 H GLN A 78 0.238 -0.795 -3.669 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.130 -1.809 -6.480 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.317 -3.037 -4.101 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.820 -3.974 -5.496 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.112 -2.367 -6.981 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.675 -1.538 -5.544 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.930 -2.197 -6.037 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.445 -3.862 -5.744 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.120 -3.189 -5.747 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.417 -3.789 -5.309 1.00 0.07 C ATOM 1196 C PHE A 79 -3.346 -5.305 -5.349 1.00 0.07 C ATOM 1197 O PHE A 79 -2.912 -5.896 -6.318 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.515 -3.300 -6.240 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.716 -1.826 -6.001 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.834 -0.903 -6.569 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.773 -1.383 -5.203 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -4.011 0.464 -6.342 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.951 -0.017 -4.973 1.00 0.14 C ATOM 1204 CZ PHE A 79 -5.072 0.908 -5.543 1.00 0.12 C ATOM 0 H PHE A 79 -1.917 -3.278 -6.743 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.629 -3.486 -4.284 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.241 -3.482 -7.279 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.441 -3.845 -6.054 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -3.015 -1.247 -7.184 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.453 -2.097 -4.763 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.330 1.178 -6.782 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.768 0.325 -4.355 1.00 0.14 H new ATOM 0 HZ PHE A 79 -5.211 1.965 -5.367 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.785 -5.935 -4.291 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.768 -7.424 -4.216 1.00 0.08 C ATOM 1216 C PHE A 80 -5.161 -7.943 -3.882 1.00 0.09 C ATOM 1217 O PHE A 80 -5.907 -7.330 -3.143 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.798 -7.863 -3.120 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.377 -7.613 -3.561 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.754 -6.382 -3.298 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.673 -8.625 -4.229 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.570 -6.172 -3.704 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.651 -8.410 -4.633 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.272 -7.184 -4.370 1.00 0.15 C ATOM 0 H PHE A 80 -4.160 -5.472 -3.463 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.452 -7.827 -5.178 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -3.004 -7.316 -2.200 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.939 -8.921 -2.900 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.294 -5.600 -2.785 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -1.152 -9.571 -4.432 1.00 0.12 H new ATOM 0 HE1 PHE A 80 1.051 -5.226 -3.503 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.192 -9.190 -5.147 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.293 -7.018 -4.681 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.511 -9.085 -4.412 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.843 -9.665 -4.117 1.00 0.12 C ATOM 1236 C LYS A 81 -6.718 -11.192 -4.177 1.00 0.11 C ATOM 1237 O LYS A 81 -6.158 -11.738 -5.105 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.830 -9.172 -5.171 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.251 -9.433 -4.689 1.00 0.26 C ATOM 1240 CD LYS A 81 -10.245 -9.036 -5.776 1.00 0.73 C ATOM 1241 CE LYS A 81 -11.655 -9.029 -5.186 1.00 1.02 C ATOM 1242 NZ LYS A 81 -12.058 -10.423 -4.849 1.00 1.68 N ATOM 0 H LYS A 81 -4.926 -9.639 -5.038 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.197 -9.366 -3.130 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.685 -8.107 -5.352 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.655 -9.683 -6.118 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.373 -10.487 -4.439 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.447 -8.865 -3.779 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -9.997 -8.050 -6.170 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -10.190 -9.736 -6.610 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -11.684 -8.404 -4.293 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -12.357 -8.598 -5.900 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -12.989 -10.626 -5.266 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -11.356 -11.089 -5.230 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -12.111 -10.529 -3.816 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.211 -11.880 -3.185 1.00 0.12 N ATOM 1257 CA LYS A 82 -7.102 -13.374 -3.167 1.00 0.13 C ATOM 1258 C LYS A 82 -5.623 -13.753 -3.258 1.00 0.13 C ATOM 1259 O LYS A 82 -5.276 -14.809 -3.748 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.856 -14.016 -4.351 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.353 -13.694 -4.268 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.160 -14.704 -5.093 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.621 -14.248 -5.154 1.00 0.31 C ATOM 1264 NZ LYS A 82 -12.388 -15.147 -6.060 1.00 1.22 N ATOM 0 H LYS A 82 -7.688 -11.474 -2.380 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.549 -13.741 -2.243 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.450 -13.647 -5.293 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.709 -15.096 -4.342 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.680 -13.719 -3.229 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.536 -12.684 -4.636 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.748 -14.782 -6.099 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -10.094 -15.695 -4.644 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -12.059 -14.262 -4.156 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -11.677 -13.220 -5.512 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -13.380 -14.836 -6.100 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -11.975 -15.112 -7.014 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -12.345 -16.122 -5.700 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.743 -12.907 -2.797 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.294 -13.236 -2.872 1.00 0.16 C ATOM 1280 C GLY A 83 -2.791 -13.048 -4.305 1.00 0.16 C ATOM 1281 O GLY A 83 -1.781 -13.606 -4.686 1.00 0.23 O ATOM 0 H GLY A 83 -4.965 -12.006 -2.373 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.731 -12.596 -2.193 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -3.129 -14.264 -2.551 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.484 -12.264 -5.105 1.00 0.12 N ATOM 1286 CA GLN A 84 -3.046 -12.038 -6.523 1.00 0.15 C ATOM 1287 C GLN A 84 -2.962 -10.534 -6.814 1.00 0.12 C ATOM 1288 O GLN A 84 -3.778 -9.767 -6.364 1.00 0.13 O ATOM 1289 CB GLN A 84 -4.062 -12.684 -7.473 1.00 0.20 C ATOM 1290 CG GLN A 84 -3.980 -14.209 -7.350 1.00 0.33 C ATOM 1291 CD GLN A 84 -4.870 -14.850 -8.414 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -6.003 -14.282 -8.718 1.00 0.95 O flip ATOM 1293 NE2 GLN A 84 -4.531 -15.876 -8.971 1.00 2.07 N flip ATOM 0 H GLN A 84 -4.335 -11.771 -4.835 1.00 0.12 H new ATOM 0 HA GLN A 84 -2.063 -12.485 -6.671 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -5.069 -12.343 -7.232 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -3.860 -12.380 -8.500 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -2.949 -14.540 -7.474 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -4.298 -14.523 -6.356 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -3.644 -16.318 -8.730 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -5.134 -16.295 -9.679 1.00 2.07 H new ATOM 1302 N LYS A 85 -1.989 -10.110 -7.586 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.856 -8.652 -7.915 1.00 0.12 C ATOM 1304 C LYS A 85 -2.841 -8.297 -9.027 1.00 0.14 C ATOM 1305 O LYS A 85 -2.915 -8.970 -10.037 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.420 -8.385 -8.379 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.215 -6.893 -8.642 1.00 0.20 C ATOM 1308 CD LYS A 85 1.207 -6.670 -9.169 1.00 0.28 C ATOM 1309 CE LYS A 85 1.465 -5.173 -9.342 1.00 1.28 C ATOM 1310 NZ LYS A 85 2.654 -4.973 -10.218 1.00 1.82 N ATOM 0 H LYS A 85 -1.279 -10.711 -8.004 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.076 -8.042 -7.039 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.284 -8.727 -7.620 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.212 -8.953 -9.286 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -0.946 -6.535 -9.367 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.370 -6.324 -7.725 1.00 0.20 H new ATOM 0 HD2 LYS A 85 1.933 -7.096 -8.476 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.337 -7.183 -10.122 1.00 0.28 H new ATOM 0 HE2 LYS A 85 0.591 -4.691 -9.780 1.00 1.28 H new ATOM 0 HE3 LYS A 85 1.633 -4.707 -8.371 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 3.237 -4.199 -9.840 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 3.215 -5.848 -10.246 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 2.340 -4.732 -11.180 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.616 -7.253 -8.836 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.621 -6.849 -9.868 1.00 0.18 C ATOM 1326 C VAL A 86 -4.389 -5.401 -10.314 1.00 0.17 C ATOM 1327 O VAL A 86 -5.153 -4.866 -11.091 1.00 0.22 O ATOM 1328 CB VAL A 86 -6.028 -6.976 -9.276 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.318 -8.446 -8.949 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.120 -6.147 -7.992 1.00 0.26 C ATOM 0 H VAL A 86 -3.594 -6.662 -8.005 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.516 -7.502 -10.734 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.757 -6.612 -10.000 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.319 -8.534 -8.528 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -6.254 -9.041 -9.860 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.587 -8.809 -8.226 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.121 -6.238 -7.571 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.389 -6.511 -7.270 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -5.915 -5.101 -8.219 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.353 -4.750 -9.851 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.142 -3.342 -10.306 1.00 0.17 C ATOM 1342 C GLY A 87 -1.984 -2.672 -9.565 1.00 0.12 C ATOM 1343 O GLY A 87 -1.579 -3.091 -8.501 1.00 0.17 O ATOM 0 H GLY A 87 -2.662 -5.118 -9.197 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -2.942 -3.333 -11.377 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.055 -2.768 -10.147 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.467 -1.608 -10.128 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.351 -0.872 -9.476 1.00 0.13 C ATOM 1349 C GLU A 88 -0.213 0.511 -10.111 1.00 0.11 C ATOM 1350 O GLU A 88 -0.518 0.708 -11.270 1.00 0.14 O ATOM 1351 CB GLU A 88 0.963 -1.654 -9.631 1.00 0.21 C ATOM 1352 CG GLU A 88 2.148 -0.796 -9.171 1.00 0.58 C ATOM 1353 CD GLU A 88 3.411 -1.654 -9.131 1.00 1.13 C ATOM 1354 OE1 GLU A 88 3.280 -2.867 -9.107 1.00 1.93 O ATOM 1355 OE2 GLU A 88 4.490 -1.083 -9.123 1.00 1.87 O ATOM 0 H GLU A 88 -1.776 -1.218 -11.019 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.568 -0.762 -8.413 1.00 0.13 H new ATOM 0 HB2 GLU A 88 0.920 -2.572 -9.044 1.00 0.21 H new ATOM 0 HB3 GLU A 88 1.099 -1.947 -10.672 1.00 0.21 H new ATOM 0 HG2 GLU A 88 2.288 0.045 -9.850 1.00 0.58 H new ATOM 0 HG3 GLU A 88 1.947 -0.378 -8.184 1.00 0.58 H new ATOM 1362 N PHE A 89 0.274 1.465 -9.363 1.00 0.10 N ATOM 1363 CA PHE A 89 0.477 2.831 -9.938 1.00 0.09 C ATOM 1364 C PHE A 89 1.347 3.666 -8.995 1.00 0.10 C ATOM 1365 O PHE A 89 1.454 3.383 -7.818 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.872 3.520 -10.207 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.467 4.097 -8.941 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.999 5.316 -8.438 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.502 3.422 -8.284 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.569 5.863 -7.278 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -3.067 3.963 -7.123 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.602 5.185 -6.619 1.00 0.14 C ATOM 0 H PHE A 89 0.539 1.361 -8.384 1.00 0.10 H new ATOM 0 HA PHE A 89 0.992 2.738 -10.894 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.735 4.315 -10.940 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.567 2.802 -10.642 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.199 5.836 -8.943 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.865 2.482 -8.673 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -1.211 6.807 -6.894 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.862 3.438 -6.615 1.00 0.13 H new ATOM 0 HZ PHE A 89 -3.039 5.603 -5.724 1.00 0.14 H new ATOM 1382 N SER A 90 1.991 4.678 -9.526 1.00 0.10 N ATOM 1383 CA SER A 90 2.893 5.539 -8.697 1.00 0.10 C ATOM 1384 C SER A 90 2.531 7.010 -8.856 1.00 0.09 C ATOM 1385 O SER A 90 1.856 7.407 -9.786 1.00 0.11 O ATOM 1386 CB SER A 90 4.334 5.359 -9.161 1.00 0.11 C ATOM 1387 OG SER A 90 4.438 5.732 -10.530 1.00 0.12 O ATOM 0 H SER A 90 1.929 4.947 -10.508 1.00 0.10 H new ATOM 0 HA SER A 90 2.779 5.244 -7.654 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.002 5.970 -8.554 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.643 4.322 -9.030 1.00 0.11 H new ATOM 0 HG SER A 90 5.364 5.619 -10.830 1.00 0.12 H new ATOM 1393 N GLY A 91 3.001 7.820 -7.944 1.00 0.09 N ATOM 1394 CA GLY A 91 2.729 9.287 -7.995 1.00 0.09 C ATOM 1395 C GLY A 91 1.980 9.703 -6.732 1.00 0.10 C ATOM 1396 O GLY A 91 1.161 8.971 -6.212 1.00 0.12 O ATOM 0 H GLY A 91 3.571 7.522 -7.153 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.665 9.840 -8.076 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.139 9.529 -8.879 1.00 0.09 H new ATOM 1400 N ALA A 92 2.260 10.872 -6.230 1.00 0.11 N ATOM 1401 CA ALA A 92 1.579 11.341 -4.994 1.00 0.14 C ATOM 1402 C ALA A 92 0.143 11.783 -5.309 1.00 0.13 C ATOM 1403 O ALA A 92 -0.195 12.944 -5.184 1.00 0.17 O ATOM 1404 CB ALA A 92 2.354 12.546 -4.457 1.00 0.18 C ATOM 0 H ALA A 92 2.935 11.526 -6.626 1.00 0.11 H new ATOM 0 HA ALA A 92 1.548 10.532 -4.264 1.00 0.14 H new ATOM 0 HB1 ALA A 92 1.875 12.911 -3.548 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.379 12.249 -4.233 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.361 13.337 -5.206 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.715 10.856 -5.684 1.00 0.12 N ATOM 1411 CA ASN A 93 -2.150 11.198 -5.972 1.00 0.14 C ATOM 1412 C ASN A 93 -3.040 10.393 -5.022 1.00 0.13 C ATOM 1413 O ASN A 93 -3.422 9.279 -5.314 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.494 10.845 -7.422 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.870 11.421 -7.781 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.500 12.178 -6.921 1.00 0.88 O flip ATOM 1417 ND2 ASN A 93 -4.380 11.180 -8.858 1.00 0.75 N flip ATOM 0 H ASN A 93 -0.480 9.871 -5.803 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.311 12.266 -5.826 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.735 11.245 -8.094 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.497 9.763 -7.552 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -3.893 10.590 -9.532 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -5.295 11.568 -9.087 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.365 10.938 -3.882 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.217 10.184 -2.912 1.00 0.15 C ATOM 1426 C LYS A 94 -5.634 9.971 -3.461 1.00 0.15 C ATOM 1427 O LYS A 94 -6.268 8.980 -3.170 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.311 10.981 -1.609 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.741 12.445 -1.897 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.571 13.406 -1.667 1.00 0.24 C ATOM 1431 CE LYS A 94 -4.084 14.840 -1.758 1.00 0.59 C ATOM 1432 NZ LYS A 94 -2.941 15.788 -1.636 1.00 1.06 N ATOM 0 H LYS A 94 -3.080 11.869 -3.579 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.760 9.209 -2.741 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -5.030 10.510 -0.939 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.347 10.972 -1.100 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.092 12.531 -2.925 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.575 12.718 -1.251 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.123 13.227 -0.690 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -2.792 13.236 -2.410 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -4.597 14.994 -2.707 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -4.811 15.028 -0.968 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -3.292 16.765 -1.698 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -2.469 15.647 -0.720 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -2.262 15.614 -2.405 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.140 10.879 -4.249 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.516 10.701 -4.791 1.00 0.15 C ATOM 1448 C GLU A 95 -7.557 9.492 -5.722 1.00 0.15 C ATOM 1449 O GLU A 95 -8.569 8.839 -5.872 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.937 11.962 -5.547 1.00 0.17 C ATOM 1451 CG GLU A 95 -7.928 13.150 -4.586 1.00 0.19 C ATOM 1452 CD GLU A 95 -9.035 12.979 -3.539 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -9.959 12.225 -3.799 1.00 1.55 O ATOM 1454 OE2 GLU A 95 -8.937 13.605 -2.496 1.00 1.61 O ATOM 0 H GLU A 95 -5.663 11.732 -4.540 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.208 10.532 -3.966 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.257 12.146 -6.378 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.932 11.830 -5.972 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -6.958 13.224 -4.094 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -8.077 14.078 -5.138 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.466 9.203 -6.361 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.425 8.050 -7.297 1.00 0.15 C ATOM 1463 C LYS A 96 -6.744 6.769 -6.533 1.00 0.14 C ATOM 1464 O LYS A 96 -7.386 5.869 -7.039 1.00 0.15 O ATOM 1465 CB LYS A 96 -5.024 7.972 -7.881 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.992 6.996 -9.055 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.714 7.223 -9.864 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.681 6.236 -11.032 1.00 0.82 C ATOM 1469 NZ LYS A 96 -3.608 4.844 -10.503 1.00 1.45 N ATOM 0 H LYS A 96 -5.591 9.720 -6.276 1.00 0.14 H new ATOM 0 HA LYS A 96 -7.157 8.173 -8.095 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.705 8.960 -8.212 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.320 7.651 -7.113 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -5.028 5.969 -8.691 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.868 7.141 -9.688 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.681 8.247 -10.236 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.838 7.085 -9.230 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -4.572 6.356 -11.649 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -2.821 6.440 -11.670 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -3.365 4.191 -11.275 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -2.879 4.792 -9.763 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -4.529 4.577 -10.101 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.305 6.686 -5.314 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.580 5.475 -4.503 1.00 0.13 C ATOM 1485 C LEU A 97 -8.090 5.278 -4.413 1.00 0.14 C ATOM 1486 O LEU A 97 -8.595 4.175 -4.455 1.00 0.15 O ATOM 1487 CB LEU A 97 -6.051 5.705 -3.085 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.527 5.595 -3.037 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -4.055 6.055 -1.652 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -4.088 4.135 -3.288 1.00 0.19 C ATOM 0 H LEU A 97 -5.764 7.410 -4.841 1.00 0.13 H new ATOM 0 HA LEU A 97 -6.104 4.606 -4.958 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.358 6.691 -2.735 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.492 4.975 -2.407 1.00 0.13 H new ATOM 0 HG LEU A 97 -4.084 6.221 -3.812 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -2.969 5.984 -1.596 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.361 7.088 -1.488 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.500 5.419 -0.886 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -3.001 4.071 -3.251 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.516 3.489 -2.521 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.437 3.814 -4.269 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.806 6.349 -4.272 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.292 6.240 -4.140 1.00 0.15 C ATOM 1504 C GLU A 98 -10.908 5.615 -5.392 1.00 0.16 C ATOM 1505 O GLU A 98 -11.785 4.780 -5.307 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.890 7.636 -3.915 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.404 7.529 -3.689 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.998 8.930 -3.528 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -12.238 9.883 -3.572 1.00 2.10 O ATOM 1510 OE2 GLU A 98 -14.203 9.025 -3.363 1.00 2.00 O ATOM 0 H GLU A 98 -8.435 7.299 -4.241 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.517 5.598 -3.288 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.418 8.108 -3.053 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.687 8.271 -4.777 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.873 7.019 -4.530 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.608 6.932 -2.800 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.480 6.021 -6.550 1.00 0.16 N ATOM 1518 CA ALA A 99 -11.079 5.454 -7.795 1.00 0.17 C ATOM 1519 C ALA A 99 -10.709 3.980 -7.970 1.00 0.16 C ATOM 1520 O ALA A 99 -11.530 3.169 -8.350 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.585 6.240 -9.005 1.00 0.19 C ATOM 0 H ALA A 99 -9.747 6.716 -6.693 1.00 0.16 H new ATOM 0 HA ALA A 99 -12.163 5.531 -7.712 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -11.023 5.825 -9.912 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.879 7.285 -8.905 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.499 6.173 -9.063 1.00 0.19 H new ATOM 1527 N THR A 100 -9.481 3.624 -7.733 1.00 0.16 N ATOM 1528 CA THR A 100 -9.083 2.204 -7.932 1.00 0.16 C ATOM 1529 C THR A 100 -9.831 1.302 -6.943 1.00 0.15 C ATOM 1530 O THR A 100 -10.267 0.220 -7.288 1.00 0.15 O ATOM 1531 CB THR A 100 -7.574 2.058 -7.749 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.911 3.038 -8.534 1.00 0.19 O ATOM 1533 CG2 THR A 100 -7.154 0.667 -8.210 1.00 0.20 C ATOM 0 H THR A 100 -8.740 4.248 -7.413 1.00 0.16 H new ATOM 0 HA THR A 100 -9.346 1.899 -8.945 1.00 0.16 H new ATOM 0 HB THR A 100 -7.310 2.194 -6.700 1.00 0.17 H new ATOM 0 HG1 THR A 100 -5.942 2.949 -8.418 1.00 0.19 H new ATOM 0 HG21 THR A 100 -6.078 0.551 -8.084 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.672 -0.085 -7.615 1.00 0.20 H new ATOM 0 HG23 THR A 100 -7.412 0.539 -9.261 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.998 1.739 -5.726 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.737 0.909 -4.723 1.00 0.13 C ATOM 1543 C ILE A 101 -12.152 0.681 -5.236 1.00 0.14 C ATOM 1544 O ILE A 101 -12.647 -0.425 -5.252 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.790 1.664 -3.387 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.387 1.703 -2.770 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.758 0.967 -2.422 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -9.327 2.795 -1.700 1.00 0.16 C ATOM 0 H ILE A 101 -9.656 2.635 -5.379 1.00 0.14 H new ATOM 0 HA ILE A 101 -10.235 -0.047 -4.577 1.00 0.13 H new ATOM 0 HB ILE A 101 -11.142 2.680 -3.565 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -9.145 0.735 -2.330 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.644 1.896 -3.544 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.787 1.512 -1.478 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.756 0.946 -2.860 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.420 -0.053 -2.241 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -8.329 2.821 -1.262 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.550 3.761 -2.153 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -10.059 2.582 -0.921 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.798 1.726 -5.661 1.00 0.17 N ATOM 1561 CA ASN A 102 -14.177 1.596 -6.195 1.00 0.20 C ATOM 1562 C ASN A 102 -14.149 0.660 -7.396 1.00 0.19 C ATOM 1563 O ASN A 102 -15.061 -0.100 -7.642 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.683 2.971 -6.636 1.00 0.25 C ATOM 1565 CG ASN A 102 -16.139 2.866 -7.089 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -16.441 2.198 -8.058 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -17.058 3.508 -6.423 1.00 0.55 N ATOM 0 H ASN A 102 -12.425 2.675 -5.661 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.838 1.197 -5.426 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.599 3.681 -5.813 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -14.066 3.352 -7.450 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -18.034 3.450 -6.715 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.801 4.068 -5.610 1.00 0.55 H new ATOM 1574 N GLU A 103 -13.108 0.750 -8.165 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.996 -0.088 -9.381 1.00 0.18 C ATOM 1576 C GLU A 103 -12.843 -1.566 -8.991 1.00 0.16 C ATOM 1577 O GLU A 103 -13.382 -2.442 -9.639 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.761 0.380 -10.161 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.827 -0.130 -11.605 1.00 0.21 C ATOM 1580 CD GLU A 103 -11.723 -1.653 -11.617 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -11.006 -2.180 -10.786 1.00 2.04 O ATOM 1582 OE2 GLU A 103 -12.361 -2.266 -12.457 1.00 2.21 O ATOM 0 H GLU A 103 -12.320 1.377 -8.000 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.892 0.011 -9.993 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.707 1.469 -10.153 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.855 0.013 -9.678 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -12.762 0.184 -12.070 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -11.018 0.304 -12.192 1.00 0.21 H new ATOM 1589 N LEU A 104 -12.100 -1.858 -7.949 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.902 -3.287 -7.532 1.00 0.14 C ATOM 1591 C LEU A 104 -12.818 -3.659 -6.353 1.00 0.13 C ATOM 1592 O LEU A 104 -12.827 -4.794 -5.915 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.441 -3.486 -7.110 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.504 -3.285 -8.311 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -8.062 -3.196 -7.808 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.632 -4.461 -9.300 1.00 0.25 C ATOM 0 H LEU A 104 -11.621 -1.169 -7.368 1.00 0.14 H new ATOM 0 HA LEU A 104 -12.151 -3.929 -8.377 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.185 -2.781 -6.319 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.307 -4.487 -6.700 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.779 -2.365 -8.827 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.390 -3.053 -8.654 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.967 -2.354 -7.123 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.800 -4.118 -7.288 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -8.961 -4.301 -10.144 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.367 -5.391 -8.796 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.659 -4.524 -9.660 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.584 -2.738 -5.826 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.467 -3.103 -4.675 1.00 0.15 C ATOM 1610 C VAL A 105 -15.514 -4.120 -5.141 1.00 0.16 C ATOM 1611 O VAL A 105 -15.917 -4.940 -4.334 1.00 1.08 O ATOM 1612 CB VAL A 105 -15.176 -1.856 -4.112 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.307 -1.406 -5.051 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.756 -2.192 -2.733 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.893 -4.060 -6.300 1.00 1.08 O ATOM 0 H VAL A 105 -13.638 -1.767 -6.134 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.851 -3.536 -3.887 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.454 -1.044 -4.027 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.795 -0.524 -4.636 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.893 -1.164 -6.030 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -17.036 -2.210 -5.154 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.260 -1.315 -2.327 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.471 -3.009 -2.828 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.950 -2.491 -2.062 1.00 0.19 H new ATOM 1683 N LYS B 63 6.934 14.878 -6.035 1.00 0.19 N ATOM 1684 CA LYS B 63 5.788 13.918 -6.011 1.00 0.14 C ATOM 1685 C LYS B 63 6.326 12.489 -5.887 1.00 0.12 C ATOM 1686 O LYS B 63 5.614 11.584 -5.497 1.00 0.12 O ATOM 1687 CB LYS B 63 5.000 14.032 -7.324 1.00 0.17 C ATOM 1688 CG LYS B 63 4.413 15.443 -7.481 1.00 0.20 C ATOM 1689 CD LYS B 63 3.123 15.597 -6.668 1.00 0.40 C ATOM 1690 CE LYS B 63 2.529 16.980 -6.947 1.00 0.35 C ATOM 1691 NZ LYS B 63 2.029 17.036 -8.351 1.00 1.31 N ATOM 0 HA LYS B 63 5.141 14.150 -5.165 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.653 13.808 -8.167 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.197 13.295 -7.338 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.144 16.183 -7.154 1.00 0.20 H new ATOM 0 HG3 LYS B 63 4.209 15.641 -8.533 1.00 0.20 H new ATOM 0 HD2 LYS B 63 2.410 14.818 -6.939 1.00 0.40 H new ATOM 0 HD3 LYS B 63 3.331 15.483 -5.604 1.00 0.40 H new ATOM 0 HE2 LYS B 63 1.715 17.184 -6.252 1.00 0.35 H new ATOM 0 HE3 LYS B 63 3.284 17.750 -6.788 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 1.306 17.779 -8.433 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 2.819 17.250 -8.993 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 1.613 16.118 -8.608 1.00 1.31 H new ATOM 1705 N ILE B 64 7.573 12.283 -6.250 1.00 0.11 N ATOM 1706 CA ILE B 64 8.200 10.914 -6.177 1.00 0.11 C ATOM 1707 C ILE B 64 9.561 11.009 -5.459 1.00 0.10 C ATOM 1708 O ILE B 64 10.314 11.937 -5.678 1.00 0.11 O ATOM 1709 CB ILE B 64 8.435 10.386 -7.605 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.097 10.120 -8.317 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.252 9.091 -7.564 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.236 9.117 -7.529 1.00 0.15 C ATOM 0 H ILE B 64 8.194 13.014 -6.599 1.00 0.11 H new ATOM 0 HA ILE B 64 7.537 10.243 -5.631 1.00 0.11 H new ATOM 0 HB ILE B 64 8.985 11.147 -8.158 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.552 11.057 -8.435 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.286 9.733 -9.318 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.411 8.729 -8.580 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.216 9.284 -7.093 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.712 8.338 -6.990 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.297 8.950 -8.057 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.772 8.173 -7.434 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.028 9.517 -6.537 1.00 0.15 H new ATOM 1724 N CYS B 65 9.905 10.044 -4.629 1.00 0.09 N ATOM 1725 CA CYS B 65 11.242 10.078 -3.950 1.00 0.10 C ATOM 1726 C CYS B 65 12.205 9.212 -4.780 1.00 0.10 C ATOM 1727 O CYS B 65 11.873 8.107 -5.165 1.00 0.11 O ATOM 1728 CB CYS B 65 11.158 9.503 -2.523 1.00 0.10 C ATOM 1729 SG CYS B 65 9.943 10.408 -1.522 1.00 0.19 S ATOM 0 H CYS B 65 9.320 9.241 -4.396 1.00 0.09 H new ATOM 0 HA CYS B 65 11.586 11.110 -3.879 1.00 0.10 H new ATOM 0 HB2 CYS B 65 10.883 8.449 -2.568 1.00 0.10 H new ATOM 0 HB3 CYS B 65 12.137 9.557 -2.048 1.00 0.10 H new ATOM 1734 N SER B 66 13.378 9.705 -5.088 1.00 0.12 N ATOM 1735 CA SER B 66 14.330 8.903 -5.924 1.00 0.14 C ATOM 1736 C SER B 66 15.067 7.855 -5.082 1.00 0.14 C ATOM 1737 O SER B 66 15.505 8.115 -3.978 1.00 0.15 O ATOM 1738 CB SER B 66 15.365 9.832 -6.555 1.00 0.18 C ATOM 1739 OG SER B 66 14.705 10.771 -7.392 1.00 0.20 O ATOM 0 H SER B 66 13.719 10.622 -4.800 1.00 0.12 H new ATOM 0 HA SER B 66 13.749 8.393 -6.693 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.926 10.351 -5.778 1.00 0.18 H new ATOM 0 HB3 SER B 66 16.084 9.253 -7.135 1.00 0.18 H new ATOM 0 HG SER B 66 15.367 11.370 -7.797 1.00 0.20 H new ATOM 1745 N TRP B 67 15.240 6.675 -5.615 1.00 0.15 N ATOM 1746 CA TRP B 67 15.968 5.613 -4.866 1.00 0.16 C ATOM 1747 C TRP B 67 17.467 5.886 -4.957 1.00 0.19 C ATOM 1748 O TRP B 67 18.267 5.259 -4.291 1.00 0.21 O ATOM 1749 CB TRP B 67 15.655 4.236 -5.452 1.00 0.16 C ATOM 1750 CG TRP B 67 14.237 3.890 -5.145 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.169 4.623 -5.516 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.714 2.748 -4.412 1.00 0.14 C ATOM 1753 NE1 TRP B 67 12.026 4.005 -5.060 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.311 2.847 -4.370 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.317 1.648 -3.787 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.536 1.893 -3.728 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.540 0.682 -3.140 1.00 0.17 C ATOM 1758 CH2 TRP B 67 12.150 0.806 -3.111 1.00 0.16 C ATOM 0 H TRP B 67 14.907 6.401 -6.539 1.00 0.15 H new ATOM 0 HA TRP B 67 15.650 5.623 -3.824 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.817 4.240 -6.530 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.325 3.486 -5.031 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.204 5.544 -6.079 1.00 0.13 H new ATOM 0 HE1 TRP B 67 11.083 4.361 -5.214 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.392 1.545 -3.805 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.461 1.993 -3.707 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 14.016 -0.161 -2.662 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.551 0.060 -2.610 1.00 0.16 H new ATOM 1769 N ASN B 68 17.859 6.818 -5.781 1.00 0.23 N ATOM 1770 CA ASN B 68 19.307 7.127 -5.913 1.00 0.27 C ATOM 1771 C ASN B 68 19.871 7.419 -4.520 1.00 0.26 C ATOM 1772 O ASN B 68 21.068 7.503 -4.327 1.00 0.30 O ATOM 1773 CB ASN B 68 19.480 8.358 -6.805 1.00 0.34 C ATOM 1774 CG ASN B 68 19.074 8.008 -8.241 1.00 0.40 C ATOM 1775 OD1 ASN B 68 18.592 6.821 -8.499 1.00 0.49 O flip ATOM 1776 ND2 ASN B 68 19.201 8.820 -9.135 1.00 0.40 N flip ATOM 0 H ASN B 68 17.239 7.377 -6.367 1.00 0.23 H new ATOM 0 HA ASN B 68 19.835 6.284 -6.358 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.868 9.179 -6.432 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.516 8.696 -6.780 1.00 0.34 H new ATOM 0 HD21 ASN B 68 19.577 9.746 -8.933 1.00 0.40 H new ATOM 0 HD22 ASN B 68 18.931 8.576 -10.088 1.00 0.40 H new