USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 919 hydrogens (12 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -136:sc= 0.00427 (180deg=-0.537) USER MOD Single : A 3 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.496) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 7 SER OG : rot 180:sc= 0 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 :FLIP amide:sc= -0.313 F(o=-1.9,f=-0.31) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 48:sc= 0.52 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 121:sc= -0.122 (180deg=-0.672) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -126:sc= -0.911 (180deg=-2.43!) USER MOD Single : A 43 HIS : no HD1:sc= -0.491 X(o=-0.49,f=-0.036) USER MOD Single : A 44 SER OG : rot 155:sc= 0.943 USER MOD Single : A 46 SER OG : rot 93:sc= -0.17 USER MOD Single : A 48 LYS NZ :NH3+ -123:sc= -0.116 (180deg=-0.873) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.25 X(o=-1.3,f=-0.93) USER MOD Single : A 63 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 67 SER OG : rot 92:sc= 1.02 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.905 USER MOD Single : A 76 THR OG1 : rot -31:sc= -1.59! USER MOD Single : A 78 GLN : amide:sc= -5.34! C(o=-5.3!,f=-5.7!) USER MOD Single : A 81 LYS NZ :NH3+ -158:sc= 1.02 (180deg=0.604) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.0207 X(o=-0.021,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -116:sc= -1.57 (180deg=-3.72!) USER MOD Single : A 90 SER OG : rot 102:sc= 0.579 USER MOD Single : A 93 ASN : amide:sc= -1.12 K(o=-1.1,f=-5.1!) USER MOD Single : A 94 LYS NZ :NH3+ -139:sc= -0.4 (180deg=-2.42!) USER MOD Single : A 96 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.565) USER MOD Single : A 100 THR OG1 : rot 72:sc= 0.305 USER MOD Single : A 102 ASN : amide:sc= -0.0748 K(o=-0.075,f=-2.7!) USER MOD Single : B 1 PHE N :NH3+ -142:sc= 0.805 (180deg=0.131) USER MOD Single : B 5 TYR OH : rot 0:sc= -2.6 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 12 HIS : no HD1:sc= 0 X(o=0,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.236 -3.250 9.059 1.00 0.73 N ATOM 2 CA MET A 1 -6.244 -2.272 9.586 1.00 0.31 C ATOM 3 C MET A 1 -5.033 -2.223 8.654 1.00 0.24 C ATOM 4 O MET A 1 -5.117 -2.571 7.492 1.00 0.21 O ATOM 5 CB MET A 1 -5.794 -2.703 10.983 1.00 0.70 C ATOM 6 CG MET A 1 -7.006 -2.761 11.915 1.00 1.55 C ATOM 7 SD MET A 1 -6.456 -3.133 13.598 1.00 2.25 S ATOM 8 CE MET A 1 -8.041 -3.738 14.226 1.00 2.89 C ATOM 0 H1 MET A 1 -8.191 -2.843 9.120 1.00 0.73 H new ATOM 0 H2 MET A 1 -7.015 -3.468 8.066 1.00 0.73 H new ATOM 0 H3 MET A 1 -7.196 -4.123 9.622 1.00 0.73 H new ATOM 0 HA MET A 1 -6.702 -1.284 9.641 1.00 0.31 H new ATOM 0 HB2 MET A 1 -5.311 -3.679 10.936 1.00 0.70 H new ATOM 0 HB3 MET A 1 -5.056 -2.001 11.372 1.00 0.70 H new ATOM 0 HG2 MET A 1 -7.538 -1.810 11.897 1.00 1.55 H new ATOM 0 HG3 MET A 1 -7.705 -3.524 11.573 1.00 1.55 H new ATOM 0 HE1 MET A 1 -7.931 -4.029 15.271 1.00 2.89 H new ATOM 0 HE2 MET A 1 -8.789 -2.949 14.146 1.00 2.89 H new ATOM 0 HE3 MET A 1 -8.359 -4.601 13.640 1.00 2.89 H new ATOM 20 N VAL A 2 -3.905 -1.793 9.153 1.00 0.24 N ATOM 21 CA VAL A 2 -2.680 -1.717 8.301 1.00 0.19 C ATOM 22 C VAL A 2 -1.855 -2.996 8.480 1.00 0.22 C ATOM 23 O VAL A 2 -2.098 -3.782 9.375 1.00 0.28 O ATOM 24 CB VAL A 2 -1.847 -0.503 8.724 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.519 -0.486 7.959 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.631 0.778 8.418 1.00 0.30 C ATOM 0 H VAL A 2 -3.778 -1.489 10.118 1.00 0.24 H new ATOM 0 HA VAL A 2 -2.965 -1.616 7.254 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.640 -0.563 9.793 1.00 0.20 H new ATOM 0 HG11 VAL A 2 0.067 0.380 8.266 1.00 0.18 H new ATOM 0 HG12 VAL A 2 0.038 -1.397 8.178 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.716 -0.430 6.889 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.042 1.645 8.717 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.838 0.831 7.349 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.571 0.770 8.970 1.00 0.30 H new ATOM 36 N LYS A 3 -0.880 -3.209 7.638 1.00 0.18 N ATOM 37 CA LYS A 3 -0.034 -4.435 7.754 1.00 0.22 C ATOM 38 C LYS A 3 1.355 -4.138 7.192 1.00 0.16 C ATOM 39 O LYS A 3 1.506 -3.764 6.046 1.00 0.13 O ATOM 40 CB LYS A 3 -0.665 -5.578 6.953 1.00 0.26 C ATOM 41 CG LYS A 3 0.029 -6.901 7.301 1.00 0.34 C ATOM 42 CD LYS A 3 -0.793 -8.069 6.750 1.00 0.81 C ATOM 43 CE LYS A 3 0.064 -9.336 6.735 1.00 1.37 C ATOM 44 NZ LYS A 3 0.795 -9.456 8.028 1.00 1.97 N ATOM 0 H LYS A 3 -0.631 -2.585 6.871 1.00 0.18 H new ATOM 0 HA LYS A 3 0.041 -4.726 8.802 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.730 -5.646 7.176 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.575 -5.379 5.885 1.00 0.26 H new ATOM 0 HG2 LYS A 3 1.034 -6.919 6.879 1.00 0.34 H new ATOM 0 HG3 LYS A 3 0.135 -6.995 8.382 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.680 -8.225 7.364 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -1.139 -7.840 5.742 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.565 -10.212 6.578 1.00 1.37 H new ATOM 0 HE3 LYS A 3 0.772 -9.300 5.907 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 1.127 -10.434 8.150 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 1.611 -8.811 8.027 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 0.158 -9.206 8.811 1.00 1.97 H new ATOM 58 N GLN A 4 2.372 -4.297 7.993 1.00 0.18 N ATOM 59 CA GLN A 4 3.756 -4.019 7.515 1.00 0.15 C ATOM 60 C GLN A 4 4.346 -5.281 6.879 1.00 0.13 C ATOM 61 O GLN A 4 4.292 -6.359 7.436 1.00 0.14 O ATOM 62 CB GLN A 4 4.611 -3.584 8.710 1.00 0.20 C ATOM 63 CG GLN A 4 6.099 -3.614 8.341 1.00 0.21 C ATOM 64 CD GLN A 4 6.904 -2.845 9.391 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.567 -2.856 10.557 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.961 -2.174 9.022 1.00 0.98 N ATOM 0 H GLN A 4 2.304 -4.609 8.962 1.00 0.18 H new ATOM 0 HA GLN A 4 3.740 -3.226 6.767 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.327 -2.579 9.022 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.426 -4.245 9.557 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.449 -4.645 8.283 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.249 -3.171 7.357 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.243 -2.166 8.042 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.505 -1.658 9.714 1.00 0.98 H new ATOM 75 N ILE A 5 4.921 -5.141 5.715 1.00 0.10 N ATOM 76 CA ILE A 5 5.541 -6.306 5.016 1.00 0.10 C ATOM 77 C ILE A 5 7.057 -6.214 5.186 1.00 0.10 C ATOM 78 O ILE A 5 7.699 -5.375 4.588 1.00 0.11 O ATOM 79 CB ILE A 5 5.227 -6.229 3.522 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.717 -6.023 3.270 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.714 -7.498 2.818 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.855 -6.945 4.150 1.00 0.19 C ATOM 0 H ILE A 5 4.989 -4.257 5.211 1.00 0.10 H new ATOM 0 HA ILE A 5 5.153 -7.236 5.432 1.00 0.10 H new ATOM 0 HB ILE A 5 5.752 -5.366 3.112 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.455 -4.984 3.468 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.495 -6.213 2.220 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.486 -7.434 1.754 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.791 -7.598 2.953 1.00 0.13 H new ATOM 0 HG23 ILE A 5 5.212 -8.366 3.245 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.800 -6.767 3.940 1.00 0.19 H new ATOM 0 HD12 ILE A 5 3.097 -7.985 3.933 1.00 0.19 H new ATOM 0 HD13 ILE A 5 3.056 -6.737 5.201 1.00 0.19 H new ATOM 94 N GLU A 6 7.635 -7.057 5.994 1.00 0.11 N ATOM 95 CA GLU A 6 9.114 -7.003 6.199 1.00 0.14 C ATOM 96 C GLU A 6 9.791 -8.076 5.345 1.00 0.14 C ATOM 97 O GLU A 6 10.997 -8.102 5.208 1.00 0.17 O ATOM 98 CB GLU A 6 9.419 -7.268 7.671 1.00 0.18 C ATOM 99 CG GLU A 6 8.499 -6.426 8.550 1.00 0.31 C ATOM 100 CD GLU A 6 8.846 -6.661 10.021 1.00 1.20 C ATOM 101 OE1 GLU A 6 8.577 -7.749 10.507 1.00 1.96 O ATOM 102 OE2 GLU A 6 9.374 -5.752 10.638 1.00 1.97 O ATOM 0 H GLU A 6 7.150 -7.782 6.523 1.00 0.11 H new ATOM 0 HA GLU A 6 9.488 -6.021 5.909 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.283 -8.326 7.895 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.461 -7.028 7.885 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.609 -5.370 8.303 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.458 -6.690 8.364 1.00 0.31 H new ATOM 109 N SER A 7 9.027 -8.967 4.769 1.00 0.13 N ATOM 110 CA SER A 7 9.636 -10.038 3.926 1.00 0.15 C ATOM 111 C SER A 7 8.628 -10.515 2.880 1.00 0.14 C ATOM 112 O SER A 7 7.432 -10.367 3.036 1.00 0.12 O ATOM 113 CB SER A 7 10.046 -11.210 4.814 1.00 0.20 C ATOM 114 OG SER A 7 8.992 -11.504 5.722 1.00 0.23 O ATOM 0 H SER A 7 8.010 -8.999 4.846 1.00 0.13 H new ATOM 0 HA SER A 7 10.514 -9.640 3.418 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.268 -12.084 4.202 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.956 -10.965 5.362 1.00 0.20 H new ATOM 0 HG SER A 7 9.252 -12.257 6.292 1.00 0.23 H new ATOM 120 N LYS A 8 9.109 -11.090 1.811 1.00 0.15 N ATOM 121 CA LYS A 8 8.194 -11.584 0.745 1.00 0.14 C ATOM 122 C LYS A 8 7.133 -12.506 1.354 1.00 0.14 C ATOM 123 O LYS A 8 6.024 -12.600 0.865 1.00 0.13 O ATOM 124 CB LYS A 8 9.007 -12.359 -0.294 1.00 0.17 C ATOM 125 CG LYS A 8 8.174 -12.556 -1.561 1.00 0.21 C ATOM 126 CD LYS A 8 8.866 -13.574 -2.471 1.00 0.22 C ATOM 127 CE LYS A 8 8.113 -13.670 -3.798 1.00 1.06 C ATOM 128 NZ LYS A 8 8.842 -14.592 -4.715 1.00 1.90 N ATOM 0 H LYS A 8 10.102 -11.239 1.630 1.00 0.15 H new ATOM 0 HA LYS A 8 7.699 -10.736 0.271 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.923 -11.817 -0.530 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.304 -13.326 0.111 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.174 -12.904 -1.302 1.00 0.21 H new ATOM 0 HG3 LYS A 8 8.056 -11.606 -2.083 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.899 -13.275 -2.648 1.00 0.22 H new ATOM 0 HD3 LYS A 8 8.895 -14.550 -1.986 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.100 -14.034 -3.628 1.00 1.06 H new ATOM 0 HE3 LYS A 8 8.025 -12.683 -4.251 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 8.331 -14.659 -5.618 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 9.800 -14.226 -4.885 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 8.904 -15.535 -4.282 1.00 1.90 H new ATOM 142 N THR A 9 7.467 -13.195 2.410 1.00 0.16 N ATOM 143 CA THR A 9 6.483 -14.121 3.044 1.00 0.18 C ATOM 144 C THR A 9 5.241 -13.348 3.492 1.00 0.16 C ATOM 145 O THR A 9 4.122 -13.772 3.281 1.00 0.17 O ATOM 146 CB THR A 9 7.124 -14.789 4.255 1.00 0.21 C ATOM 147 OG1 THR A 9 8.373 -15.352 3.878 1.00 0.24 O ATOM 148 CG2 THR A 9 6.202 -15.888 4.786 1.00 0.25 C ATOM 0 H THR A 9 8.380 -13.158 2.863 1.00 0.16 H new ATOM 0 HA THR A 9 6.188 -14.877 2.316 1.00 0.18 H new ATOM 0 HB THR A 9 7.282 -14.047 5.037 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.787 -15.780 4.656 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.663 -16.363 5.652 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.247 -15.452 5.078 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.038 -16.633 4.007 1.00 0.25 H new ATOM 156 N ALA A 10 5.430 -12.220 4.117 1.00 0.16 N ATOM 157 CA ALA A 10 4.263 -11.422 4.590 1.00 0.17 C ATOM 158 C ALA A 10 3.524 -10.824 3.391 1.00 0.15 C ATOM 159 O ALA A 10 2.342 -10.552 3.454 1.00 0.17 O ATOM 160 CB ALA A 10 4.757 -10.297 5.501 1.00 0.20 C ATOM 0 H ALA A 10 6.343 -11.815 4.321 1.00 0.16 H new ATOM 0 HA ALA A 10 3.582 -12.069 5.143 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.907 -9.711 5.849 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.278 -10.725 6.358 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.439 -9.653 4.946 1.00 0.20 H new ATOM 166 N PHE A 11 4.208 -10.610 2.302 1.00 0.12 N ATOM 167 CA PHE A 11 3.537 -10.020 1.109 1.00 0.11 C ATOM 168 C PHE A 11 2.396 -10.923 0.644 1.00 0.13 C ATOM 169 O PHE A 11 1.238 -10.577 0.753 1.00 0.16 O ATOM 170 CB PHE A 11 4.547 -9.865 -0.030 1.00 0.10 C ATOM 171 CG PHE A 11 3.853 -9.266 -1.233 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.421 -7.927 -1.201 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.637 -10.047 -2.386 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.774 -7.367 -2.320 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.990 -9.487 -3.505 1.00 0.18 C ATOM 176 CZ PHE A 11 2.559 -8.147 -3.472 1.00 0.21 C ATOM 0 H PHE A 11 5.200 -10.817 2.186 1.00 0.12 H new ATOM 0 HA PHE A 11 3.137 -9.044 1.383 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.372 -9.226 0.284 1.00 0.10 H new ATOM 0 HB3 PHE A 11 4.975 -10.834 -0.287 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.586 -7.328 -0.318 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.968 -11.075 -2.412 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.443 -6.339 -2.294 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.825 -10.086 -4.389 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.064 -7.718 -4.330 1.00 0.21 H new ATOM 186 N GLN A 12 2.711 -12.074 0.118 1.00 0.15 N ATOM 187 CA GLN A 12 1.637 -12.986 -0.367 1.00 0.19 C ATOM 188 C GLN A 12 0.634 -13.239 0.756 1.00 0.17 C ATOM 189 O GLN A 12 -0.563 -13.230 0.544 1.00 0.16 O ATOM 190 CB GLN A 12 2.255 -14.318 -0.803 1.00 0.24 C ATOM 191 CG GLN A 12 3.167 -14.093 -2.013 1.00 1.21 C ATOM 192 CD GLN A 12 2.334 -13.643 -3.218 1.00 1.77 C ATOM 193 OE1 GLN A 12 1.050 -13.882 -3.239 1.00 2.35 O flip ATOM 194 NE2 GLN A 12 2.858 -13.068 -4.150 1.00 2.47 N flip ATOM 0 H GLN A 12 3.663 -12.422 0.003 1.00 0.15 H new ATOM 0 HA GLN A 12 1.128 -12.525 -1.213 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.825 -14.752 0.019 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.469 -15.029 -1.055 1.00 0.24 H new ATOM 0 HG2 GLN A 12 3.919 -13.339 -1.778 1.00 1.21 H new ATOM 0 HG3 GLN A 12 3.701 -15.012 -2.252 1.00 1.21 H new ATOM 0 HE21 GLN A 12 3.861 -12.881 -4.135 1.00 2.47 H new ATOM 0 HE22 GLN A 12 2.296 -12.772 -4.948 1.00 2.47 H new ATOM 203 N GLU A 13 1.105 -13.465 1.947 1.00 0.19 N ATOM 204 CA GLU A 13 0.174 -13.719 3.076 1.00 0.20 C ATOM 205 C GLU A 13 -0.761 -12.521 3.251 1.00 0.18 C ATOM 206 O GLU A 13 -1.921 -12.675 3.572 1.00 0.19 O ATOM 207 CB GLU A 13 0.984 -13.943 4.357 1.00 0.25 C ATOM 208 CG GLU A 13 1.522 -15.376 4.390 1.00 0.30 C ATOM 209 CD GLU A 13 2.403 -15.560 5.627 1.00 1.29 C ATOM 210 OE1 GLU A 13 2.735 -14.563 6.247 1.00 2.03 O ATOM 211 OE2 GLU A 13 2.728 -16.695 5.935 1.00 2.10 O ATOM 0 H GLU A 13 2.096 -13.485 2.188 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.424 -14.606 2.867 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.811 -13.234 4.404 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.358 -13.760 5.230 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.695 -16.086 4.410 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.097 -15.581 3.487 1.00 0.30 H new ATOM 218 N ALA A 14 -0.274 -11.330 3.042 1.00 0.18 N ATOM 219 CA ALA A 14 -1.155 -10.141 3.199 1.00 0.18 C ATOM 220 C ALA A 14 -2.315 -10.243 2.200 1.00 0.18 C ATOM 221 O ALA A 14 -3.465 -10.059 2.542 1.00 0.19 O ATOM 222 CB ALA A 14 -0.346 -8.871 2.927 1.00 0.20 C ATOM 0 H ALA A 14 0.689 -11.130 2.771 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.551 -10.102 4.214 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.989 -7.998 3.041 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.481 -8.808 3.635 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.048 -8.901 1.911 1.00 0.20 H new ATOM 228 N LEU A 15 -2.009 -10.540 0.966 1.00 0.17 N ATOM 229 CA LEU A 15 -3.072 -10.667 -0.078 1.00 0.18 C ATOM 230 C LEU A 15 -3.982 -11.852 0.248 1.00 0.18 C ATOM 231 O LEU A 15 -5.191 -11.765 0.155 1.00 0.18 O ATOM 232 CB LEU A 15 -2.411 -10.888 -1.444 1.00 0.19 C ATOM 233 CG LEU A 15 -1.172 -9.998 -1.569 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.614 -10.096 -2.991 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.554 -8.545 -1.273 1.00 0.62 C ATOM 0 H LEU A 15 -1.059 -10.702 0.631 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.670 -9.756 -0.101 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.131 -11.935 -1.558 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.117 -10.658 -2.242 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.416 -10.328 -0.857 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.268 -9.462 -3.080 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.341 -11.130 -3.204 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.371 -9.766 -3.702 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.672 -7.911 -1.362 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.311 -8.215 -1.985 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.952 -8.472 -0.261 1.00 0.62 H new ATOM 247 N ASP A 16 -3.411 -12.963 0.621 1.00 0.19 N ATOM 248 CA ASP A 16 -4.241 -14.156 0.943 1.00 0.21 C ATOM 249 C ASP A 16 -5.140 -13.854 2.144 1.00 0.20 C ATOM 250 O ASP A 16 -6.317 -14.157 2.142 1.00 0.20 O ATOM 251 CB ASP A 16 -3.323 -15.333 1.276 1.00 0.24 C ATOM 252 CG ASP A 16 -4.157 -16.607 1.416 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.233 -16.653 0.843 1.00 1.09 O ATOM 254 OD2 ASP A 16 -3.705 -17.517 2.092 1.00 1.07 O ATOM 0 H ASP A 16 -2.404 -13.096 0.717 1.00 0.19 H new ATOM 0 HA ASP A 16 -4.864 -14.406 0.084 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.576 -15.459 0.492 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.783 -15.136 2.202 1.00 0.24 H new ATOM 259 N ALA A 17 -4.596 -13.263 3.172 1.00 0.22 N ATOM 260 CA ALA A 17 -5.422 -12.950 4.373 1.00 0.24 C ATOM 261 C ALA A 17 -6.245 -11.684 4.123 1.00 0.21 C ATOM 262 O ALA A 17 -7.155 -11.372 4.865 1.00 0.22 O ATOM 263 CB ALA A 17 -4.503 -12.730 5.577 1.00 0.30 C ATOM 0 H ALA A 17 -3.617 -12.984 3.233 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.097 -13.782 4.572 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.104 -12.501 6.457 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.921 -13.633 5.760 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.828 -11.899 5.372 1.00 0.30 H new ATOM 269 N ALA A 18 -5.937 -10.950 3.089 1.00 0.21 N ATOM 270 CA ALA A 18 -6.708 -9.705 2.806 1.00 0.22 C ATOM 271 C ALA A 18 -8.131 -10.068 2.372 1.00 0.21 C ATOM 272 O ALA A 18 -8.994 -9.218 2.274 1.00 0.24 O ATOM 273 CB ALA A 18 -6.023 -8.918 1.688 1.00 0.23 C ATOM 0 H ALA A 18 -5.187 -11.157 2.429 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.747 -9.095 3.709 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.589 -8.009 1.484 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.011 -8.654 1.996 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -5.980 -9.529 0.786 1.00 0.23 H new ATOM 279 N GLY A 19 -8.384 -11.321 2.113 1.00 0.22 N ATOM 280 CA GLY A 19 -9.752 -11.728 1.687 1.00 0.24 C ATOM 281 C GLY A 19 -10.013 -11.238 0.260 1.00 0.20 C ATOM 282 O GLY A 19 -9.238 -11.493 -0.640 1.00 0.28 O ATOM 0 H GLY A 19 -7.704 -12.079 2.178 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.851 -12.813 1.734 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.495 -11.311 2.367 1.00 0.24 H new ATOM 286 N ASP A 20 -11.105 -10.541 0.050 1.00 0.13 N ATOM 287 CA ASP A 20 -11.439 -10.028 -1.319 1.00 0.18 C ATOM 288 C ASP A 20 -11.561 -8.502 -1.289 1.00 0.15 C ATOM 289 O ASP A 20 -11.874 -7.881 -2.285 1.00 0.22 O ATOM 290 CB ASP A 20 -12.771 -10.628 -1.772 1.00 0.26 C ATOM 291 CG ASP A 20 -13.104 -10.132 -3.181 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.199 -9.662 -3.851 1.00 2.21 O ATOM 293 OD2 ASP A 20 -14.257 -10.230 -3.566 1.00 2.19 O ATOM 0 H ASP A 20 -11.784 -10.304 0.773 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.647 -10.313 -2.011 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -12.713 -11.716 -1.763 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -13.563 -10.345 -1.079 1.00 0.26 H new ATOM 298 N LYS A 21 -11.316 -7.886 -0.164 1.00 0.12 N ATOM 299 CA LYS A 21 -11.423 -6.406 -0.101 1.00 0.19 C ATOM 300 C LYS A 21 -10.311 -5.784 -0.932 1.00 0.15 C ATOM 301 O LYS A 21 -9.401 -6.457 -1.375 1.00 0.15 O ATOM 302 CB LYS A 21 -11.284 -5.956 1.347 1.00 0.27 C ATOM 303 CG LYS A 21 -12.572 -6.279 2.095 1.00 0.29 C ATOM 304 CD LYS A 21 -12.372 -5.978 3.579 1.00 0.30 C ATOM 305 CE LYS A 21 -13.720 -5.973 4.306 1.00 1.12 C ATOM 306 NZ LYS A 21 -14.126 -7.376 4.602 1.00 1.90 N ATOM 0 H LYS A 21 -11.048 -8.343 0.708 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.390 -6.090 -0.493 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.439 -6.459 1.818 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.082 -4.886 1.391 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.397 -5.687 1.698 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -12.836 -7.327 1.955 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.714 -6.725 4.023 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.883 -5.011 3.698 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -13.645 -5.401 5.231 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.476 -5.486 3.690 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -15.041 -7.376 5.096 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -14.213 -7.907 3.712 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.408 -7.825 5.205 1.00 1.90 H new ATOM 320 N LEU A 22 -10.372 -4.503 -1.151 1.00 0.13 N ATOM 321 CA LEU A 22 -9.313 -3.850 -1.955 1.00 0.11 C ATOM 322 C LEU A 22 -7.992 -3.939 -1.172 1.00 0.10 C ATOM 323 O LEU A 22 -7.989 -4.171 0.020 1.00 0.11 O ATOM 324 CB LEU A 22 -9.706 -2.374 -2.203 1.00 0.12 C ATOM 325 CG LEU A 22 -9.449 -1.943 -3.658 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.720 -0.436 -3.772 1.00 0.17 C ATOM 327 CD2 LEU A 22 -7.996 -2.230 -4.074 1.00 0.11 C ATOM 0 H LEU A 22 -11.107 -3.884 -0.809 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.194 -4.343 -2.920 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.761 -2.235 -1.965 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.140 -1.731 -1.529 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.108 -2.508 -4.317 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.543 -0.111 -4.797 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.755 -0.231 -3.500 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.054 0.105 -3.100 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.844 -1.915 -5.106 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.316 -1.680 -3.423 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.797 -3.298 -3.987 1.00 0.11 H new ATOM 339 N VAL A 23 -6.875 -3.748 -1.823 1.00 0.08 N ATOM 340 CA VAL A 23 -5.568 -3.816 -1.103 1.00 0.09 C ATOM 341 C VAL A 23 -4.604 -2.800 -1.718 1.00 0.08 C ATOM 342 O VAL A 23 -4.048 -3.023 -2.774 1.00 0.09 O ATOM 343 CB VAL A 23 -4.981 -5.223 -1.232 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.857 -5.406 -0.208 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.079 -6.259 -0.972 1.00 0.10 C ATOM 0 H VAL A 23 -6.810 -3.548 -2.821 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.719 -3.587 -0.048 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.582 -5.358 -2.237 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.440 -6.409 -0.301 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.075 -4.669 -0.391 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.255 -5.271 0.798 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.662 -7.262 -1.064 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.478 -6.122 0.033 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.880 -6.131 -1.700 1.00 0.10 H new ATOM 355 N VAL A 24 -4.402 -1.684 -1.060 1.00 0.08 N ATOM 356 CA VAL A 24 -3.472 -0.643 -1.597 1.00 0.08 C ATOM 357 C VAL A 24 -2.140 -0.734 -0.856 1.00 0.08 C ATOM 358 O VAL A 24 -2.088 -0.730 0.359 1.00 0.08 O ATOM 359 CB VAL A 24 -4.091 0.743 -1.402 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.398 1.760 -2.313 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.578 0.686 -1.743 1.00 0.09 C ATOM 0 H VAL A 24 -4.843 -1.449 -0.171 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.303 -0.807 -2.661 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.963 1.049 -0.364 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.845 2.743 -2.167 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.337 1.804 -2.068 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.518 1.458 -3.353 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -6.021 1.672 -1.605 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.702 0.375 -2.780 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.074 -0.030 -1.088 1.00 0.09 H new ATOM 371 N VAL A 25 -1.062 -0.833 -1.587 1.00 0.09 N ATOM 372 CA VAL A 25 0.289 -0.949 -0.959 1.00 0.09 C ATOM 373 C VAL A 25 1.051 0.360 -1.130 1.00 0.10 C ATOM 374 O VAL A 25 1.030 0.969 -2.178 1.00 0.17 O ATOM 375 CB VAL A 25 1.068 -2.068 -1.660 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.235 -2.523 -0.778 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.130 -3.246 -1.917 1.00 0.09 C ATOM 0 H VAL A 25 -1.059 -0.839 -2.607 1.00 0.09 H new ATOM 0 HA VAL A 25 0.178 -1.170 0.102 1.00 0.09 H new ATOM 0 HB VAL A 25 1.462 -1.698 -2.606 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.784 -3.318 -1.283 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.903 -1.681 -0.595 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.850 -2.894 0.172 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.678 -4.045 -2.416 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.263 -3.612 -0.968 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.696 -2.922 -2.551 1.00 0.09 H new ATOM 387 N ASP A 26 1.735 0.783 -0.103 1.00 0.08 N ATOM 388 CA ASP A 26 2.526 2.046 -0.180 1.00 0.08 C ATOM 389 C ASP A 26 4.014 1.700 -0.196 1.00 0.08 C ATOM 390 O ASP A 26 4.609 1.448 0.833 1.00 0.09 O ATOM 391 CB ASP A 26 2.221 2.907 1.046 1.00 0.09 C ATOM 392 CG ASP A 26 3.124 4.141 1.038 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.813 4.341 0.051 1.00 0.96 O ATOM 394 OD2 ASP A 26 3.111 4.866 2.019 1.00 0.93 O ATOM 0 H ASP A 26 1.781 0.303 0.796 1.00 0.08 H new ATOM 0 HA ASP A 26 2.264 2.593 -1.085 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.174 3.209 1.040 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.382 2.331 1.957 1.00 0.09 H new ATOM 399 N PHE A 27 4.624 1.693 -1.348 1.00 0.08 N ATOM 400 CA PHE A 27 6.075 1.371 -1.410 1.00 0.09 C ATOM 401 C PHE A 27 6.848 2.644 -1.094 1.00 0.11 C ATOM 402 O PHE A 27 7.366 3.304 -1.971 1.00 0.13 O ATOM 403 CB PHE A 27 6.438 0.900 -2.820 1.00 0.10 C ATOM 404 CG PHE A 27 6.031 -0.543 -3.013 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.701 -0.869 -3.347 1.00 0.19 C ATOM 406 CD2 PHE A 27 6.990 -1.562 -2.872 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.333 -2.216 -3.538 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.622 -2.908 -3.064 1.00 0.21 C ATOM 409 CZ PHE A 27 5.294 -3.235 -3.396 1.00 0.23 C ATOM 0 H PHE A 27 4.182 1.895 -2.245 1.00 0.08 H new ATOM 0 HA PHE A 27 6.319 0.582 -0.698 1.00 0.09 H new ATOM 0 HB2 PHE A 27 5.940 1.527 -3.560 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.511 1.007 -2.981 1.00 0.10 H new ATOM 0 HD1 PHE A 27 3.964 -0.087 -3.457 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.009 -1.312 -2.616 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.314 -2.466 -3.793 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.359 -3.690 -2.956 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.012 -4.267 -3.542 1.00 0.23 H new ATOM 419 N SER A 28 6.913 2.996 0.161 1.00 0.11 N ATOM 420 CA SER A 28 7.634 4.234 0.571 1.00 0.12 C ATOM 421 C SER A 28 8.978 3.858 1.188 1.00 0.10 C ATOM 422 O SER A 28 9.432 2.736 1.088 1.00 0.11 O ATOM 423 CB SER A 28 6.792 4.979 1.609 1.00 0.17 C ATOM 424 OG SER A 28 5.699 5.615 0.958 1.00 1.03 O ATOM 0 H SER A 28 6.492 2.472 0.928 1.00 0.11 H new ATOM 0 HA SER A 28 7.799 4.870 -0.299 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.426 4.284 2.364 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.403 5.719 2.126 1.00 0.17 H new ATOM 0 HG SER A 28 5.256 4.975 0.362 1.00 1.03 H new ATOM 430 N ALA A 29 9.611 4.796 1.832 1.00 0.10 N ATOM 431 CA ALA A 29 10.933 4.521 2.476 1.00 0.15 C ATOM 432 C ALA A 29 10.986 5.243 3.826 1.00 0.18 C ATOM 433 O ALA A 29 10.715 6.423 3.926 1.00 0.26 O ATOM 434 CB ALA A 29 12.056 5.018 1.559 1.00 0.19 C ATOM 0 H ALA A 29 9.270 5.751 1.943 1.00 0.10 H new ATOM 0 HA ALA A 29 11.060 3.451 2.637 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.021 4.819 2.025 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.001 4.499 0.602 1.00 0.19 H new ATOM 0 HB3 ALA A 29 11.945 6.090 1.397 1.00 0.19 H new ATOM 440 N THR A 30 11.313 4.527 4.867 1.00 0.18 N ATOM 441 CA THR A 30 11.364 5.141 6.228 1.00 0.23 C ATOM 442 C THR A 30 12.479 6.188 6.322 1.00 0.26 C ATOM 443 O THR A 30 12.361 7.158 7.044 1.00 0.31 O ATOM 444 CB THR A 30 11.616 4.046 7.265 1.00 0.26 C ATOM 445 OG1 THR A 30 11.520 4.602 8.569 1.00 0.32 O ATOM 446 CG2 THR A 30 13.012 3.458 7.059 1.00 0.28 C ATOM 0 H THR A 30 11.549 3.535 4.834 1.00 0.18 H new ATOM 0 HA THR A 30 10.411 5.634 6.418 1.00 0.23 H new ATOM 0 HB THR A 30 10.873 3.257 7.151 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.680 3.902 9.236 1.00 0.32 H new ATOM 0 HG21 THR A 30 13.191 2.678 7.799 1.00 0.28 H new ATOM 0 HG22 THR A 30 13.084 3.033 6.058 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.758 4.244 7.173 1.00 0.28 H new ATOM 454 N TRP A 31 13.566 6.005 5.621 1.00 0.26 N ATOM 455 CA TRP A 31 14.680 7.002 5.709 1.00 0.32 C ATOM 456 C TRP A 31 14.452 8.132 4.710 1.00 0.32 C ATOM 457 O TRP A 31 15.125 9.141 4.742 1.00 0.36 O ATOM 458 CB TRP A 31 16.016 6.316 5.401 1.00 0.34 C ATOM 459 CG TRP A 31 16.059 5.871 3.975 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.735 4.632 3.538 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.455 6.630 2.797 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.905 4.581 2.166 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.344 5.788 1.660 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.894 7.960 2.604 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.659 6.247 0.373 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.212 8.427 1.312 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.093 7.573 0.199 1.00 0.40 C ATOM 0 H TRP A 31 13.733 5.217 4.996 1.00 0.26 H new ATOM 0 HA TRP A 31 14.704 7.413 6.718 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.839 7.003 5.599 1.00 0.34 H new ATOM 0 HB3 TRP A 31 16.152 5.458 6.060 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.398 3.815 4.159 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.728 3.753 1.598 1.00 0.25 H new ATOM 0 HE3 TRP A 31 16.986 8.623 3.452 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.569 5.587 -0.477 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.548 9.444 1.176 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.335 7.937 -0.789 1.00 0.40 H new ATOM 478 N CYS A 32 13.514 7.971 3.817 1.00 0.28 N ATOM 479 CA CYS A 32 13.253 9.035 2.802 1.00 0.30 C ATOM 480 C CYS A 32 12.091 9.923 3.261 1.00 0.31 C ATOM 481 O CYS A 32 10.971 9.479 3.418 1.00 0.29 O ATOM 482 CB CYS A 32 12.921 8.361 1.468 1.00 0.28 C ATOM 483 SG CYS A 32 13.452 9.421 0.100 1.00 0.32 S ATOM 0 H CYS A 32 12.916 7.148 3.745 1.00 0.28 H new ATOM 0 HA CYS A 32 14.134 9.666 2.683 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.418 7.393 1.405 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.849 8.174 1.401 1.00 0.28 H new ATOM 488 N GLY A 33 12.365 11.179 3.473 1.00 0.34 N ATOM 489 CA GLY A 33 11.309 12.125 3.923 1.00 0.36 C ATOM 490 C GLY A 33 10.165 12.221 2.896 1.00 0.35 C ATOM 491 O GLY A 33 9.023 12.031 3.253 1.00 0.33 O ATOM 0 H GLY A 33 13.288 11.595 3.352 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.911 11.798 4.884 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.745 13.112 4.078 1.00 0.36 H new ATOM 495 N PRO A 34 10.485 12.539 1.658 1.00 0.37 N ATOM 496 CA PRO A 34 9.460 12.694 0.603 1.00 0.38 C ATOM 497 C PRO A 34 8.508 11.492 0.577 1.00 0.35 C ATOM 498 O PRO A 34 7.327 11.634 0.323 1.00 0.36 O ATOM 499 CB PRO A 34 10.269 12.817 -0.710 1.00 0.42 C ATOM 500 CG PRO A 34 11.739 13.115 -0.301 1.00 0.44 C ATOM 501 CD PRO A 34 11.874 12.761 1.198 1.00 0.40 C ATOM 0 HA PRO A 34 8.821 13.562 0.766 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.208 11.896 -1.290 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.872 13.616 -1.336 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.433 12.525 -0.900 1.00 0.44 H new ATOM 0 HG3 PRO A 34 11.982 14.164 -0.473 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.486 11.870 1.341 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.351 13.568 1.754 1.00 0.40 H new ATOM 509 N ALA A 35 8.999 10.318 0.836 1.00 0.33 N ATOM 510 CA ALA A 35 8.103 9.132 0.820 1.00 0.32 C ATOM 511 C ALA A 35 7.284 9.108 2.110 1.00 0.39 C ATOM 512 O ALA A 35 6.072 9.206 2.095 1.00 0.81 O ATOM 513 CB ALA A 35 8.948 7.860 0.721 1.00 0.36 C ATOM 0 H ALA A 35 9.976 10.127 1.057 1.00 0.33 H new ATOM 0 HA ALA A 35 7.432 9.185 -0.037 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.294 6.988 0.709 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.536 7.885 -0.196 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.617 7.800 1.580 1.00 0.36 H new ATOM 519 N LYS A 36 7.942 8.985 3.226 1.00 0.30 N ATOM 520 CA LYS A 36 7.224 8.957 4.530 1.00 0.28 C ATOM 521 C LYS A 36 6.431 10.253 4.724 1.00 0.24 C ATOM 522 O LYS A 36 5.552 10.333 5.558 1.00 0.25 O ATOM 523 CB LYS A 36 8.252 8.814 5.652 1.00 0.35 C ATOM 524 CG LYS A 36 7.546 8.918 7.011 1.00 0.38 C ATOM 525 CD LYS A 36 8.472 8.434 8.140 1.00 0.49 C ATOM 526 CE LYS A 36 9.446 9.548 8.536 1.00 1.22 C ATOM 527 NZ LYS A 36 8.693 10.654 9.191 1.00 1.92 N ATOM 0 H LYS A 36 8.956 8.902 3.292 1.00 0.30 H new ATOM 0 HA LYS A 36 6.530 8.117 4.546 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.765 7.856 5.569 1.00 0.35 H new ATOM 0 HB3 LYS A 36 9.012 9.591 5.565 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.249 9.951 7.194 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.634 8.321 7.000 1.00 0.38 H new ATOM 0 HD2 LYS A 36 7.879 8.135 9.004 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.027 7.554 7.814 1.00 0.49 H new ATOM 0 HE2 LYS A 36 10.205 9.158 9.214 1.00 1.22 H new ATOM 0 HE3 LYS A 36 9.968 9.921 7.654 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 9.062 10.804 10.152 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 8.806 11.527 8.637 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 7.685 10.405 9.242 1.00 1.92 H new ATOM 541 N MET A 37 6.740 11.272 3.972 1.00 0.23 N ATOM 542 CA MET A 37 6.009 12.561 4.131 1.00 0.24 C ATOM 543 C MET A 37 4.520 12.366 3.829 1.00 0.20 C ATOM 544 O MET A 37 3.696 13.175 4.203 1.00 0.20 O ATOM 545 CB MET A 37 6.592 13.607 3.173 1.00 0.29 C ATOM 546 CG MET A 37 5.730 14.874 3.195 1.00 1.31 C ATOM 547 SD MET A 37 6.696 16.269 2.562 1.00 2.12 S ATOM 548 CE MET A 37 5.968 17.552 3.613 1.00 3.13 C ATOM 0 H MET A 37 7.466 11.269 3.255 1.00 0.23 H new ATOM 0 HA MET A 37 6.121 12.904 5.159 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.615 13.848 3.463 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.634 13.203 2.162 1.00 0.29 H new ATOM 0 HG2 MET A 37 4.837 14.730 2.587 1.00 1.31 H new ATOM 0 HG3 MET A 37 5.394 15.081 4.211 1.00 1.31 H new ATOM 0 HE1 MET A 37 6.428 18.514 3.385 1.00 3.13 H new ATOM 0 HE2 MET A 37 4.896 17.609 3.427 1.00 3.13 H new ATOM 0 HE3 MET A 37 6.142 17.306 4.661 1.00 3.13 H new ATOM 558 N ILE A 38 4.171 11.313 3.136 1.00 0.18 N ATOM 559 CA ILE A 38 2.734 11.078 2.783 1.00 0.15 C ATOM 560 C ILE A 38 2.109 10.050 3.721 1.00 0.16 C ATOM 561 O ILE A 38 1.039 9.540 3.462 1.00 0.16 O ATOM 562 CB ILE A 38 2.652 10.573 1.341 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.339 11.601 0.428 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.176 10.388 0.920 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.449 11.058 -1.015 1.00 0.28 C ATOM 0 H ILE A 38 4.819 10.602 2.797 1.00 0.18 H new ATOM 0 HA ILE A 38 2.186 12.015 2.885 1.00 0.15 H new ATOM 0 HB ILE A 38 3.151 9.607 1.257 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.773 12.533 0.430 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.333 11.831 0.813 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.133 10.028 -0.108 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.698 9.663 1.578 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.655 11.342 0.992 1.00 0.17 H new ATOM 0 HD11 ILE A 38 3.938 11.800 -1.647 1.00 0.28 H new ATOM 0 HD12 ILE A 38 4.035 10.139 -1.014 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.452 10.852 -1.403 1.00 0.28 H new ATOM 577 N LYS A 39 2.750 9.727 4.813 1.00 0.19 N ATOM 578 CA LYS A 39 2.136 8.725 5.722 1.00 0.22 C ATOM 579 C LYS A 39 0.872 9.264 6.435 1.00 0.20 C ATOM 580 O LYS A 39 -0.014 8.489 6.715 1.00 0.21 O ATOM 581 CB LYS A 39 3.168 8.142 6.725 1.00 0.31 C ATOM 582 CG LYS A 39 3.443 9.069 7.932 1.00 0.34 C ATOM 583 CD LYS A 39 4.011 8.247 9.103 1.00 0.45 C ATOM 584 CE LYS A 39 2.955 7.262 9.647 1.00 1.16 C ATOM 585 NZ LYS A 39 3.197 5.910 9.064 1.00 1.62 N ATOM 0 H LYS A 39 3.651 10.105 5.107 1.00 0.19 H new ATOM 0 HA LYS A 39 1.803 7.900 5.092 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.806 7.181 7.090 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.105 7.952 6.201 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.148 9.850 7.649 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.522 9.566 8.238 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.892 7.696 8.773 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.334 8.917 9.900 1.00 0.45 H new ATOM 0 HE2 LYS A 39 3.009 7.217 10.735 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.953 7.607 9.392 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.325 5.565 8.614 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.954 5.969 8.353 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.481 5.253 9.818 1.00 1.62 H new ATOM 599 N PRO A 40 0.786 10.550 6.739 1.00 0.20 N ATOM 600 CA PRO A 40 -0.406 11.057 7.441 1.00 0.21 C ATOM 601 C PRO A 40 -1.653 10.884 6.564 1.00 0.17 C ATOM 602 O PRO A 40 -2.756 11.166 6.983 1.00 0.20 O ATOM 603 CB PRO A 40 -0.101 12.542 7.735 1.00 0.24 C ATOM 604 CG PRO A 40 1.354 12.814 7.261 1.00 0.25 C ATOM 605 CD PRO A 40 1.798 11.590 6.433 1.00 0.21 C ATOM 0 HA PRO A 40 -0.614 10.514 8.363 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.804 13.190 7.212 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.205 12.753 8.799 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.400 13.722 6.660 1.00 0.25 H new ATOM 0 HG3 PRO A 40 2.016 12.962 8.114 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.823 11.819 5.368 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.800 11.264 6.712 1.00 0.21 H new ATOM 613 N PHE A 41 -1.482 10.417 5.352 1.00 0.14 N ATOM 614 CA PHE A 41 -2.652 10.208 4.437 1.00 0.14 C ATOM 615 C PHE A 41 -2.859 8.709 4.233 1.00 0.11 C ATOM 616 O PHE A 41 -3.720 8.103 4.835 1.00 0.13 O ATOM 617 CB PHE A 41 -2.365 10.865 3.080 1.00 0.15 C ATOM 618 CG PHE A 41 -2.597 12.353 3.182 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.615 13.180 3.759 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.795 12.910 2.701 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.832 14.567 3.855 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.014 14.298 2.796 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.032 15.127 3.373 1.00 0.27 C ATOM 0 H PHE A 41 -0.577 10.169 4.953 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.545 10.653 4.875 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.337 10.666 2.778 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.011 10.437 2.313 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.695 12.750 4.128 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.547 12.274 2.259 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.079 15.202 4.298 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -4.934 14.726 2.427 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.199 16.192 3.446 1.00 0.27 H new ATOM 633 N PHE A 42 -2.072 8.117 3.379 1.00 0.10 N ATOM 634 CA PHE A 42 -2.201 6.656 3.097 1.00 0.11 C ATOM 635 C PHE A 42 -2.467 5.873 4.390 1.00 0.11 C ATOM 636 O PHE A 42 -3.450 5.167 4.506 1.00 0.12 O ATOM 637 CB PHE A 42 -0.895 6.171 2.464 1.00 0.13 C ATOM 638 CG PHE A 42 -0.925 4.671 2.315 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.657 4.092 1.268 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.218 3.854 3.219 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.686 2.698 1.116 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.247 2.455 3.070 1.00 0.10 C ATOM 643 CZ PHE A 42 -0.982 1.875 2.017 1.00 0.10 C ATOM 0 H PHE A 42 -1.334 8.588 2.856 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.040 6.491 2.421 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.757 6.640 1.490 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.048 6.467 3.083 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.199 4.721 0.577 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.345 4.301 4.025 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.249 2.255 0.307 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.294 1.826 3.762 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.006 0.802 1.901 1.00 0.10 H new ATOM 653 N HIS A 43 -1.604 5.987 5.357 1.00 0.14 N ATOM 654 CA HIS A 43 -1.812 5.244 6.634 1.00 0.16 C ATOM 655 C HIS A 43 -3.047 5.798 7.365 1.00 0.16 C ATOM 656 O HIS A 43 -3.734 5.079 8.063 1.00 0.18 O ATOM 657 CB HIS A 43 -0.523 5.352 7.487 1.00 0.21 C ATOM 658 CG HIS A 43 -0.821 5.279 8.962 1.00 0.27 C ATOM 659 ND1 HIS A 43 -0.715 4.101 9.686 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.237 6.235 9.856 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.064 4.376 10.956 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.391 5.662 11.115 1.00 0.39 N ATOM 0 H HIS A 43 -0.762 6.562 5.321 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.004 4.189 6.441 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.162 4.549 7.214 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.017 6.292 7.264 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.417 7.273 9.618 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.078 3.645 11.751 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -1.689 6.124 11.974 1.00 0.39 H new ATOM 670 N SER A 44 -3.341 7.058 7.209 1.00 0.20 N ATOM 671 CA SER A 44 -4.537 7.630 7.896 1.00 0.25 C ATOM 672 C SER A 44 -5.826 7.020 7.319 1.00 0.20 C ATOM 673 O SER A 44 -6.768 6.756 8.037 1.00 0.21 O ATOM 674 CB SER A 44 -4.557 9.148 7.716 1.00 0.34 C ATOM 675 OG SER A 44 -3.627 9.731 8.619 1.00 0.97 O ATOM 0 H SER A 44 -2.809 7.716 6.639 1.00 0.20 H new ATOM 0 HA SER A 44 -4.481 7.392 8.958 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.300 9.409 6.689 1.00 0.34 H new ATOM 0 HB3 SER A 44 -5.558 9.537 7.903 1.00 0.34 H new ATOM 0 HG SER A 44 -3.331 10.598 8.270 1.00 0.97 H new ATOM 681 N LEU A 45 -5.881 6.802 6.029 1.00 0.18 N ATOM 682 CA LEU A 45 -7.118 6.219 5.419 1.00 0.18 C ATOM 683 C LEU A 45 -7.549 4.978 6.207 1.00 0.16 C ATOM 684 O LEU A 45 -8.684 4.553 6.136 1.00 0.23 O ATOM 685 CB LEU A 45 -6.839 5.812 3.967 1.00 0.19 C ATOM 686 CG LEU A 45 -6.424 7.033 3.131 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.145 6.581 1.694 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.548 8.086 3.132 1.00 0.50 C ATOM 0 H LEU A 45 -5.126 7.001 5.373 1.00 0.18 H new ATOM 0 HA LEU A 45 -7.910 6.967 5.446 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.049 5.061 3.940 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.729 5.355 3.535 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.527 7.478 3.562 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -5.850 7.441 1.093 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.341 5.845 1.694 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.045 6.135 1.272 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.242 8.946 2.536 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.453 7.653 2.705 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.746 8.405 4.155 1.00 0.50 H new ATOM 700 N SER A 46 -6.655 4.390 6.950 1.00 0.20 N ATOM 701 CA SER A 46 -7.021 3.173 7.730 1.00 0.25 C ATOM 702 C SER A 46 -8.205 3.476 8.654 1.00 0.17 C ATOM 703 O SER A 46 -8.919 2.585 9.067 1.00 0.15 O ATOM 704 CB SER A 46 -5.824 2.729 8.571 1.00 0.36 C ATOM 705 OG SER A 46 -4.709 2.505 7.719 1.00 0.51 O ATOM 0 H SER A 46 -5.688 4.698 7.052 1.00 0.20 H new ATOM 0 HA SER A 46 -7.302 2.379 7.038 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.583 3.491 9.312 1.00 0.36 H new ATOM 0 HB3 SER A 46 -6.067 1.818 9.118 1.00 0.36 H new ATOM 0 HG SER A 46 -4.168 3.321 7.667 1.00 0.51 H new ATOM 711 N GLU A 47 -8.415 4.723 8.991 1.00 0.21 N ATOM 712 CA GLU A 47 -9.550 5.077 9.901 1.00 0.21 C ATOM 713 C GLU A 47 -10.761 5.534 9.084 1.00 0.18 C ATOM 714 O GLU A 47 -11.889 5.420 9.519 1.00 0.18 O ATOM 715 CB GLU A 47 -9.112 6.211 10.833 1.00 0.32 C ATOM 716 CG GLU A 47 -7.704 5.924 11.356 1.00 0.39 C ATOM 717 CD GLU A 47 -7.386 6.875 12.512 1.00 1.24 C ATOM 718 OE1 GLU A 47 -7.465 8.075 12.304 1.00 2.00 O ATOM 719 OE2 GLU A 47 -7.069 6.387 13.583 1.00 1.98 O ATOM 0 H GLU A 47 -7.851 5.512 8.676 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.827 4.199 10.484 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.127 7.161 10.299 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -9.810 6.302 11.666 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.633 4.889 11.692 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -6.975 6.050 10.556 1.00 0.39 H new ATOM 726 N LYS A 48 -10.542 6.055 7.907 1.00 0.18 N ATOM 727 CA LYS A 48 -11.691 6.519 7.074 1.00 0.17 C ATOM 728 C LYS A 48 -12.178 5.372 6.190 1.00 0.15 C ATOM 729 O LYS A 48 -13.278 5.401 5.672 1.00 0.18 O ATOM 730 CB LYS A 48 -11.244 7.688 6.193 1.00 0.21 C ATOM 731 CG LYS A 48 -12.479 8.391 5.616 1.00 0.26 C ATOM 732 CD LYS A 48 -12.053 9.520 4.660 1.00 1.09 C ATOM 733 CE LYS A 48 -11.783 10.807 5.449 1.00 1.51 C ATOM 734 NZ LYS A 48 -13.055 11.290 6.060 1.00 2.16 N ATOM 0 H LYS A 48 -9.621 6.180 7.487 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.502 6.844 7.725 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.651 8.392 6.777 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.607 7.327 5.386 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -13.101 7.671 5.085 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -13.085 8.799 6.425 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -11.157 9.225 4.113 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -12.835 9.695 3.921 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -11.041 10.622 6.226 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -11.370 11.571 4.790 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -13.245 12.262 5.743 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -13.838 10.671 5.768 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -12.970 11.275 7.096 1.00 2.16 H new ATOM 748 N TYR A 49 -11.367 4.358 6.013 1.00 0.13 N ATOM 749 CA TYR A 49 -11.772 3.195 5.162 1.00 0.13 C ATOM 750 C TYR A 49 -11.428 1.893 5.885 1.00 0.11 C ATOM 751 O TYR A 49 -10.540 1.164 5.488 1.00 0.11 O ATOM 752 CB TYR A 49 -11.025 3.258 3.824 1.00 0.15 C ATOM 753 CG TYR A 49 -11.704 4.261 2.924 1.00 0.16 C ATOM 754 CD1 TYR A 49 -12.957 3.954 2.363 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.095 5.501 2.654 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.602 4.883 1.530 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.739 6.435 1.823 1.00 0.20 C ATOM 758 CZ TYR A 49 -12.995 6.127 1.259 1.00 0.21 C ATOM 759 OH TYR A 49 -13.629 7.043 0.444 1.00 0.24 O ATOM 0 H TYR A 49 -10.436 4.285 6.424 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.846 3.232 4.977 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -9.986 3.543 3.987 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.016 2.275 3.352 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.424 3.003 2.573 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.133 5.735 3.085 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.562 4.645 1.097 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.273 7.387 1.617 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.075 7.847 0.363 1.00 0.24 H new ATOM 769 N SER A 50 -12.134 1.592 6.936 1.00 0.12 N ATOM 770 CA SER A 50 -11.862 0.334 7.683 1.00 0.13 C ATOM 771 C SER A 50 -12.263 -0.860 6.816 1.00 0.13 C ATOM 772 O SER A 50 -12.043 -2.001 7.172 1.00 0.14 O ATOM 773 CB SER A 50 -12.685 0.324 8.968 1.00 0.16 C ATOM 774 OG SER A 50 -14.051 0.093 8.646 1.00 0.17 O ATOM 0 H SER A 50 -12.890 2.164 7.312 1.00 0.12 H new ATOM 0 HA SER A 50 -10.802 0.272 7.927 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.321 -0.452 9.641 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.578 1.275 9.490 1.00 0.16 H new ATOM 0 HG SER A 50 -14.584 0.084 9.468 1.00 0.17 H new ATOM 780 N ASN A 51 -12.864 -0.603 5.686 1.00 0.13 N ATOM 781 CA ASN A 51 -13.301 -1.712 4.789 1.00 0.15 C ATOM 782 C ASN A 51 -12.236 -1.976 3.725 1.00 0.13 C ATOM 783 O ASN A 51 -12.412 -2.805 2.854 1.00 0.14 O ATOM 784 CB ASN A 51 -14.609 -1.306 4.114 1.00 0.17 C ATOM 785 CG ASN A 51 -15.148 -2.478 3.291 1.00 0.20 C ATOM 786 OD1 ASN A 51 -15.021 -2.498 2.083 1.00 0.34 O ATOM 787 ND2 ASN A 51 -15.750 -3.463 3.900 1.00 0.32 N ATOM 0 H ASN A 51 -13.073 0.335 5.343 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.446 -2.621 5.373 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.341 -1.009 4.865 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.445 -0.442 3.470 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.114 -4.249 3.362 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -15.857 -3.446 4.914 1.00 0.32 H new ATOM 794 N VAL A 52 -11.129 -1.279 3.794 1.00 0.11 N ATOM 795 CA VAL A 52 -10.030 -1.477 2.794 1.00 0.10 C ATOM 796 C VAL A 52 -8.773 -1.947 3.519 1.00 0.10 C ATOM 797 O VAL A 52 -8.531 -1.597 4.657 1.00 0.11 O ATOM 798 CB VAL A 52 -9.730 -0.151 2.097 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.504 -0.307 1.190 1.00 0.12 C ATOM 800 CG2 VAL A 52 -10.941 0.271 1.260 1.00 0.12 C ATOM 0 H VAL A 52 -10.936 -0.575 4.506 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.338 -2.219 2.058 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.524 0.612 2.847 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.294 0.641 0.695 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.643 -0.602 1.790 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.702 -1.072 0.439 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.728 1.217 0.762 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.150 -0.493 0.512 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.808 0.390 1.909 1.00 0.12 H new ATOM 810 N ILE A 53 -7.971 -2.738 2.864 1.00 0.09 N ATOM 811 CA ILE A 53 -6.718 -3.243 3.497 1.00 0.09 C ATOM 812 C ILE A 53 -5.537 -2.393 3.013 1.00 0.09 C ATOM 813 O ILE A 53 -5.273 -2.299 1.833 1.00 0.14 O ATOM 814 CB ILE A 53 -6.497 -4.701 3.080 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.831 -5.484 3.096 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.470 -5.365 4.005 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.662 -5.202 4.366 1.00 0.17 C ATOM 0 H ILE A 53 -8.130 -3.060 1.909 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.798 -3.180 4.582 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.110 -4.715 2.061 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.416 -5.218 2.216 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.623 -6.552 3.030 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.321 -6.401 3.699 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.523 -4.828 3.942 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.835 -5.339 5.032 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.588 -5.775 4.329 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.090 -5.493 5.247 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.895 -4.139 4.420 1.00 0.17 H new ATOM 829 N PHE A 54 -4.825 -1.775 3.920 1.00 0.08 N ATOM 830 CA PHE A 54 -3.653 -0.928 3.530 1.00 0.08 C ATOM 831 C PHE A 54 -2.369 -1.637 3.948 1.00 0.08 C ATOM 832 O PHE A 54 -2.218 -2.053 5.079 1.00 0.11 O ATOM 833 CB PHE A 54 -3.745 0.418 4.249 1.00 0.08 C ATOM 834 CG PHE A 54 -4.969 1.155 3.763 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.982 1.719 2.474 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.100 1.275 4.595 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.122 2.405 2.015 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.241 1.961 4.137 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.252 2.526 2.848 1.00 0.09 C ATOM 0 H PHE A 54 -5.005 -1.820 4.923 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.652 -0.767 2.452 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.801 0.265 5.327 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.849 1.009 4.057 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.116 1.625 1.836 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -6.092 0.841 5.584 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.131 2.838 1.026 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.108 2.054 4.775 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.127 3.053 2.497 1.00 0.09 H new ATOM 849 N LEU A 55 -1.444 -1.786 3.036 1.00 0.08 N ATOM 850 CA LEU A 55 -0.155 -2.479 3.353 1.00 0.09 C ATOM 851 C LEU A 55 0.978 -1.450 3.352 1.00 0.09 C ATOM 852 O LEU A 55 0.810 -0.319 2.942 1.00 0.10 O ATOM 853 CB LEU A 55 0.130 -3.543 2.277 1.00 0.10 C ATOM 854 CG LEU A 55 -0.648 -4.837 2.562 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.116 -4.532 2.875 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.569 -5.744 1.328 1.00 0.12 C ATOM 0 H LEU A 55 -1.525 -1.455 2.075 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.224 -2.956 4.331 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.147 -3.157 1.296 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.198 -3.756 2.246 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.207 -5.332 3.427 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.647 -5.463 3.073 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.175 -3.887 3.752 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.573 -4.028 2.023 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -1.118 -6.666 1.519 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -1.007 -5.232 0.471 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.474 -5.980 1.116 1.00 0.12 H new ATOM 868 N GLU A 56 2.138 -1.849 3.798 1.00 0.09 N ATOM 869 CA GLU A 56 3.309 -0.925 3.820 1.00 0.09 C ATOM 870 C GLU A 56 4.543 -1.732 3.419 1.00 0.09 C ATOM 871 O GLU A 56 4.707 -2.863 3.835 1.00 0.10 O ATOM 872 CB GLU A 56 3.494 -0.352 5.237 1.00 0.09 C ATOM 873 CG GLU A 56 4.369 0.932 5.194 1.00 0.11 C ATOM 874 CD GLU A 56 3.497 2.183 5.376 1.00 0.53 C ATOM 875 OE1 GLU A 56 2.673 2.181 6.276 1.00 1.31 O ATOM 876 OE2 GLU A 56 3.673 3.121 4.614 1.00 1.24 O ATOM 0 H GLU A 56 2.327 -2.787 4.152 1.00 0.09 H new ATOM 0 HA GLU A 56 3.156 -0.094 3.131 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.522 -0.122 5.673 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.963 -1.098 5.879 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.125 0.891 5.979 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.899 0.986 4.243 1.00 0.11 H new ATOM 883 N VAL A 57 5.401 -1.179 2.599 1.00 0.08 N ATOM 884 CA VAL A 57 6.611 -1.938 2.154 1.00 0.08 C ATOM 885 C VAL A 57 7.845 -1.037 2.187 1.00 0.09 C ATOM 886 O VAL A 57 7.828 0.083 1.713 1.00 0.14 O ATOM 887 CB VAL A 57 6.400 -2.434 0.721 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.588 -3.298 0.302 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.116 -3.265 0.641 1.00 0.09 C ATOM 0 H VAL A 57 5.317 -0.236 2.219 1.00 0.08 H new ATOM 0 HA VAL A 57 6.763 -2.782 2.827 1.00 0.08 H new ATOM 0 HB VAL A 57 6.316 -1.576 0.054 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.439 -3.652 -0.718 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.503 -2.707 0.351 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.671 -4.152 0.974 1.00 0.10 H new ATOM 0 HG21 VAL A 57 4.972 -3.615 -0.381 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.195 -4.122 1.310 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.266 -2.651 0.937 1.00 0.09 H new ATOM 899 N ASP A 58 8.924 -1.537 2.730 1.00 0.09 N ATOM 900 CA ASP A 58 10.188 -0.747 2.789 1.00 0.09 C ATOM 901 C ASP A 58 11.049 -1.160 1.593 1.00 0.10 C ATOM 902 O ASP A 58 11.534 -2.272 1.520 1.00 0.11 O ATOM 903 CB ASP A 58 10.918 -1.065 4.100 1.00 0.11 C ATOM 904 CG ASP A 58 11.905 0.057 4.435 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.490 1.013 5.069 1.00 1.06 O ATOM 906 OD2 ASP A 58 13.057 -0.059 4.052 1.00 1.08 O ATOM 0 H ASP A 58 8.983 -2.469 3.139 1.00 0.09 H new ATOM 0 HA ASP A 58 9.985 0.323 2.753 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.197 -1.180 4.909 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.449 -2.013 4.010 1.00 0.11 H new ATOM 911 N VAL A 59 11.215 -0.290 0.641 1.00 0.12 N ATOM 912 CA VAL A 59 12.011 -0.649 -0.567 1.00 0.15 C ATOM 913 C VAL A 59 13.484 -0.874 -0.217 1.00 0.18 C ATOM 914 O VAL A 59 14.241 -1.361 -1.031 1.00 0.27 O ATOM 915 CB VAL A 59 11.899 0.476 -1.593 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.471 0.524 -2.135 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.238 1.811 -0.926 1.00 0.22 C ATOM 0 H VAL A 59 10.834 0.656 0.645 1.00 0.12 H new ATOM 0 HA VAL A 59 11.614 -1.578 -0.977 1.00 0.15 H new ATOM 0 HB VAL A 59 12.595 0.294 -2.412 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.387 1.326 -2.868 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.230 -0.427 -2.609 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.777 0.707 -1.315 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.158 2.614 -1.658 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.542 1.996 -0.107 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.255 1.775 -0.536 1.00 0.22 H new ATOM 927 N ASP A 60 13.907 -0.520 0.971 1.00 0.16 N ATOM 928 CA ASP A 60 15.350 -0.707 1.346 1.00 0.18 C ATOM 929 C ASP A 60 15.516 -1.902 2.293 1.00 0.17 C ATOM 930 O ASP A 60 16.472 -2.644 2.197 1.00 0.18 O ATOM 931 CB ASP A 60 15.857 0.557 2.038 1.00 0.21 C ATOM 932 CG ASP A 60 15.582 1.772 1.150 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.384 2.028 0.266 1.00 1.11 O ATOM 934 OD2 ASP A 60 14.577 2.426 1.368 1.00 1.08 O ATOM 0 H ASP A 60 13.320 -0.110 1.698 1.00 0.16 H new ATOM 0 HA ASP A 60 15.924 -0.898 0.440 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.363 0.679 3.002 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.926 0.472 2.235 1.00 0.21 H new ATOM 939 N ASP A 61 14.608 -2.092 3.215 1.00 0.17 N ATOM 940 CA ASP A 61 14.737 -3.238 4.172 1.00 0.17 C ATOM 941 C ASP A 61 13.962 -4.449 3.636 1.00 0.16 C ATOM 942 O ASP A 61 14.141 -5.558 4.096 1.00 0.18 O ATOM 943 CB ASP A 61 14.196 -2.813 5.542 1.00 0.19 C ATOM 944 CG ASP A 61 14.095 -4.026 6.467 1.00 0.22 C ATOM 945 OD1 ASP A 61 15.118 -4.639 6.722 1.00 1.12 O ATOM 946 OD2 ASP A 61 12.997 -4.314 6.914 1.00 1.07 O ATOM 0 H ASP A 61 13.784 -1.506 3.349 1.00 0.17 H new ATOM 0 HA ASP A 61 15.785 -3.519 4.277 1.00 0.17 H new ATOM 0 HB2 ASP A 61 14.852 -2.063 5.984 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.215 -2.351 5.427 1.00 0.19 H new ATOM 951 N ALA A 62 13.122 -4.246 2.647 1.00 0.16 N ATOM 952 CA ALA A 62 12.347 -5.382 2.044 1.00 0.16 C ATOM 953 C ALA A 62 12.604 -5.392 0.536 1.00 0.16 C ATOM 954 O ALA A 62 11.692 -5.442 -0.264 1.00 0.15 O ATOM 955 CB ALA A 62 10.850 -5.195 2.307 1.00 0.17 C ATOM 0 H ALA A 62 12.938 -3.335 2.228 1.00 0.16 H new ATOM 0 HA ALA A 62 12.664 -6.325 2.490 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.297 -6.024 1.866 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.670 -5.170 3.382 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.516 -4.258 1.861 1.00 0.17 H new ATOM 961 N GLN A 63 13.849 -5.325 0.150 1.00 0.20 N ATOM 962 CA GLN A 63 14.198 -5.310 -1.300 1.00 0.22 C ATOM 963 C GLN A 63 13.615 -6.534 -2.011 1.00 0.20 C ATOM 964 O GLN A 63 13.531 -6.572 -3.222 1.00 0.20 O ATOM 965 CB GLN A 63 15.720 -5.318 -1.451 1.00 0.29 C ATOM 966 CG GLN A 63 16.305 -4.073 -0.781 1.00 0.90 C ATOM 967 CD GLN A 63 17.826 -4.076 -0.938 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.411 -5.115 -1.469 1.00 2.17 O flip ATOM 969 NE2 GLN A 63 18.488 -3.124 -0.577 1.00 2.22 N flip ATOM 0 H GLN A 63 14.647 -5.280 0.783 1.00 0.20 H new ATOM 0 HA GLN A 63 13.778 -4.411 -1.751 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.136 -6.218 -0.998 1.00 0.29 H new ATOM 0 HB3 GLN A 63 15.991 -5.338 -2.506 1.00 0.29 H new ATOM 0 HG2 GLN A 63 15.884 -3.174 -1.230 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.038 -4.056 0.276 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.030 -2.312 -0.162 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.502 -3.136 -0.689 1.00 2.22 H new ATOM 978 N ASP A 64 13.217 -7.539 -1.281 1.00 0.19 N ATOM 979 CA ASP A 64 12.653 -8.746 -1.942 1.00 0.20 C ATOM 980 C ASP A 64 11.290 -8.403 -2.542 1.00 0.17 C ATOM 981 O ASP A 64 10.952 -8.833 -3.627 1.00 0.19 O ATOM 982 CB ASP A 64 12.501 -9.869 -0.911 1.00 0.22 C ATOM 983 CG ASP A 64 11.973 -9.286 0.402 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.773 -8.770 1.163 1.00 1.11 O ATOM 985 OD2 ASP A 64 10.775 -9.369 0.622 1.00 1.09 O ATOM 0 H ASP A 64 13.258 -7.576 -0.262 1.00 0.19 H new ATOM 0 HA ASP A 64 13.323 -9.078 -2.735 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.817 -10.631 -1.285 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.461 -10.357 -0.745 1.00 0.22 H new ATOM 990 N VAL A 65 10.508 -7.623 -1.852 1.00 0.15 N ATOM 991 CA VAL A 65 9.176 -7.247 -2.397 1.00 0.16 C ATOM 992 C VAL A 65 9.372 -6.232 -3.523 1.00 0.16 C ATOM 993 O VAL A 65 8.809 -6.357 -4.593 1.00 0.19 O ATOM 994 CB VAL A 65 8.327 -6.629 -1.286 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.877 -6.511 -1.758 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.388 -7.520 -0.043 1.00 0.18 C ATOM 0 H VAL A 65 10.732 -7.231 -0.938 1.00 0.15 H new ATOM 0 HA VAL A 65 8.668 -8.131 -2.783 1.00 0.16 H new ATOM 0 HB VAL A 65 8.711 -5.638 -1.043 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.271 -6.070 -0.966 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.833 -5.877 -2.644 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.492 -7.501 -2.001 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.783 -7.080 0.750 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.003 -8.510 -0.286 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.421 -7.605 0.294 1.00 0.18 H new ATOM 1006 N ALA A 66 10.179 -5.232 -3.293 1.00 0.16 N ATOM 1007 CA ALA A 66 10.427 -4.210 -4.349 1.00 0.18 C ATOM 1008 C ALA A 66 11.121 -4.871 -5.540 1.00 0.19 C ATOM 1009 O ALA A 66 10.881 -4.527 -6.680 1.00 0.20 O ATOM 1010 CB ALA A 66 11.327 -3.108 -3.788 1.00 0.22 C ATOM 0 H ALA A 66 10.678 -5.079 -2.417 1.00 0.16 H new ATOM 0 HA ALA A 66 9.478 -3.779 -4.670 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.509 -2.360 -4.559 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.838 -2.638 -2.935 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.276 -3.540 -3.470 1.00 0.22 H new ATOM 1016 N SER A 67 11.983 -5.818 -5.285 1.00 0.21 N ATOM 1017 CA SER A 67 12.692 -6.498 -6.402 1.00 0.26 C ATOM 1018 C SER A 67 11.672 -7.222 -7.280 1.00 0.26 C ATOM 1019 O SER A 67 11.660 -7.077 -8.486 1.00 0.29 O ATOM 1020 CB SER A 67 13.688 -7.510 -5.833 1.00 0.31 C ATOM 1021 OG SER A 67 14.770 -6.812 -5.227 1.00 1.29 O ATOM 0 H SER A 67 12.226 -6.149 -4.351 1.00 0.21 H new ATOM 0 HA SER A 67 13.228 -5.760 -6.999 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.196 -8.150 -5.100 1.00 0.31 H new ATOM 0 HB3 SER A 67 14.058 -8.160 -6.626 1.00 0.31 H new ATOM 0 HG SER A 67 14.579 -6.674 -4.276 1.00 1.29 H new ATOM 1027 N GLU A 68 10.813 -7.998 -6.682 1.00 0.26 N ATOM 1028 CA GLU A 68 9.788 -8.731 -7.476 1.00 0.30 C ATOM 1029 C GLU A 68 8.840 -7.729 -8.143 1.00 0.31 C ATOM 1030 O GLU A 68 8.329 -7.966 -9.219 1.00 0.36 O ATOM 1031 CB GLU A 68 8.992 -9.650 -6.548 1.00 0.31 C ATOM 1032 CG GLU A 68 8.124 -10.593 -7.381 1.00 0.39 C ATOM 1033 CD GLU A 68 9.014 -11.632 -8.066 1.00 1.43 C ATOM 1034 OE1 GLU A 68 9.605 -12.435 -7.362 1.00 2.20 O ATOM 1035 OE2 GLU A 68 9.089 -11.608 -9.284 1.00 2.19 O ATOM 0 H GLU A 68 10.776 -8.157 -5.675 1.00 0.26 H new ATOM 0 HA GLU A 68 10.280 -9.326 -8.245 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.671 -10.225 -5.919 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.366 -9.057 -5.882 1.00 0.31 H new ATOM 0 HG2 GLU A 68 7.392 -11.089 -6.744 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.566 -10.027 -8.127 1.00 0.39 H new ATOM 1042 N ALA A 69 8.595 -6.613 -7.507 1.00 0.29 N ATOM 1043 CA ALA A 69 7.672 -5.594 -8.096 1.00 0.31 C ATOM 1044 C ALA A 69 8.464 -4.629 -8.989 1.00 0.29 C ATOM 1045 O ALA A 69 7.912 -3.717 -9.573 1.00 0.33 O ATOM 1046 CB ALA A 69 6.994 -4.817 -6.963 1.00 0.31 C ATOM 0 H ALA A 69 8.995 -6.362 -6.603 1.00 0.29 H new ATOM 0 HA ALA A 69 6.915 -6.093 -8.701 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.320 -4.072 -7.385 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.427 -5.506 -6.337 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.752 -4.319 -6.359 1.00 0.31 H new ATOM 1052 N GLU A 70 9.748 -4.824 -9.102 1.00 0.27 N ATOM 1053 CA GLU A 70 10.571 -3.921 -9.958 1.00 0.29 C ATOM 1054 C GLU A 70 10.233 -2.454 -9.655 1.00 0.25 C ATOM 1055 O GLU A 70 9.988 -1.669 -10.549 1.00 0.26 O ATOM 1056 CB GLU A 70 10.278 -4.215 -11.431 1.00 0.38 C ATOM 1057 CG GLU A 70 10.585 -5.683 -11.731 1.00 1.18 C ATOM 1058 CD GLU A 70 10.381 -5.955 -13.222 1.00 1.61 C ATOM 1059 OE1 GLU A 70 10.871 -5.173 -14.020 1.00 2.06 O ATOM 1060 OE2 GLU A 70 9.739 -6.942 -13.542 1.00 2.34 O ATOM 0 H GLU A 70 10.265 -5.571 -8.638 1.00 0.27 H new ATOM 0 HA GLU A 70 11.627 -4.094 -9.748 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.234 -3.998 -11.655 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.882 -3.569 -12.068 1.00 0.38 H new ATOM 0 HG2 GLU A 70 11.611 -5.916 -11.445 1.00 1.18 H new ATOM 0 HG3 GLU A 70 9.935 -6.329 -11.141 1.00 1.18 H new ATOM 1067 N VAL A 71 10.233 -2.078 -8.405 1.00 0.22 N ATOM 1068 CA VAL A 71 9.927 -0.661 -8.046 1.00 0.19 C ATOM 1069 C VAL A 71 11.184 0.190 -8.252 1.00 0.23 C ATOM 1070 O VAL A 71 12.260 -0.171 -7.817 1.00 0.28 O ATOM 1071 CB VAL A 71 9.495 -0.596 -6.581 1.00 0.18 C ATOM 1072 CG1 VAL A 71 8.988 0.811 -6.257 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.374 -1.608 -6.341 1.00 0.19 C ATOM 0 H VAL A 71 10.432 -2.691 -7.614 1.00 0.22 H new ATOM 0 HA VAL A 71 9.123 -0.282 -8.677 1.00 0.19 H new ATOM 0 HB VAL A 71 10.345 -0.830 -5.940 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.680 0.855 -5.212 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.785 1.534 -6.432 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.137 1.047 -6.896 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.063 -1.565 -5.297 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.526 -1.370 -6.983 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.734 -2.611 -6.572 1.00 0.19 H new ATOM 1083 N LYS A 72 11.059 1.316 -8.917 1.00 0.24 N ATOM 1084 CA LYS A 72 12.248 2.201 -9.164 1.00 0.29 C ATOM 1085 C LYS A 72 11.920 3.635 -8.739 1.00 0.26 C ATOM 1086 O LYS A 72 12.689 4.550 -8.956 1.00 0.27 O ATOM 1087 CB LYS A 72 12.589 2.185 -10.655 1.00 0.35 C ATOM 1088 CG LYS A 72 13.106 0.800 -11.046 1.00 0.43 C ATOM 1089 CD LYS A 72 13.195 0.702 -12.570 1.00 1.16 C ATOM 1090 CE LYS A 72 14.001 -0.539 -12.955 1.00 1.66 C ATOM 1091 NZ LYS A 72 13.819 -0.818 -14.407 1.00 2.40 N ATOM 0 H LYS A 72 10.180 1.663 -9.302 1.00 0.24 H new ATOM 0 HA LYS A 72 13.097 1.835 -8.586 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.706 2.435 -11.243 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.343 2.941 -10.875 1.00 0.35 H new ATOM 0 HG2 LYS A 72 14.086 0.627 -10.602 1.00 0.43 H new ATOM 0 HG3 LYS A 72 12.440 0.029 -10.659 1.00 0.43 H new ATOM 0 HD2 LYS A 72 12.195 0.647 -13.001 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.668 1.596 -12.976 1.00 1.16 H new ATOM 0 HE2 LYS A 72 15.057 -0.383 -12.733 1.00 1.66 H new ATOM 0 HE3 LYS A 72 13.674 -1.395 -12.365 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 14.367 -1.662 -14.670 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 12.812 -0.984 -14.605 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 14.151 -0.003 -14.961 1.00 2.40 H new ATOM 1105 N ALA A 73 10.782 3.834 -8.133 1.00 0.22 N ATOM 1106 CA ALA A 73 10.390 5.206 -7.685 1.00 0.20 C ATOM 1107 C ALA A 73 9.472 5.073 -6.470 1.00 0.18 C ATOM 1108 O ALA A 73 8.682 4.163 -6.399 1.00 0.16 O ATOM 1109 CB ALA A 73 9.641 5.920 -8.822 1.00 0.21 C ATOM 0 H ALA A 73 10.101 3.103 -7.927 1.00 0.22 H new ATOM 0 HA ALA A 73 11.275 5.785 -7.423 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.354 6.920 -8.497 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.290 5.994 -9.695 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.747 5.353 -9.081 1.00 0.21 H new ATOM 1115 N THR A 74 9.562 5.973 -5.518 1.00 0.18 N ATOM 1116 CA THR A 74 8.670 5.893 -4.310 1.00 0.17 C ATOM 1117 C THR A 74 8.037 7.275 -4.077 1.00 0.17 C ATOM 1118 O THR A 74 8.665 8.273 -4.370 1.00 0.19 O ATOM 1119 CB THR A 74 9.497 5.514 -3.065 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.607 6.386 -2.954 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.010 4.065 -3.151 1.00 0.19 C ATOM 0 H THR A 74 10.212 6.759 -5.523 1.00 0.18 H new ATOM 0 HA THR A 74 7.902 5.138 -4.476 1.00 0.17 H new ATOM 0 HB THR A 74 8.851 5.603 -2.192 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.133 6.147 -2.162 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.589 3.830 -2.258 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.163 3.383 -3.224 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.642 3.954 -4.032 1.00 0.19 H new ATOM 1129 N PRO A 75 6.830 7.326 -3.535 1.00 0.17 N ATOM 1130 CA PRO A 75 6.016 6.141 -3.154 1.00 0.16 C ATOM 1131 C PRO A 75 5.340 5.533 -4.404 1.00 0.14 C ATOM 1132 O PRO A 75 4.890 6.252 -5.273 1.00 0.14 O ATOM 1133 CB PRO A 75 4.946 6.716 -2.195 1.00 0.17 C ATOM 1134 CG PRO A 75 4.984 8.266 -2.337 1.00 0.20 C ATOM 1135 CD PRO A 75 6.194 8.620 -3.230 1.00 0.19 C ATOM 0 HA PRO A 75 6.610 5.349 -2.699 1.00 0.16 H new ATOM 0 HB2 PRO A 75 3.958 6.331 -2.446 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.152 6.419 -1.167 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.059 8.633 -2.781 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.078 8.739 -1.359 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.878 9.129 -4.140 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.884 9.288 -2.714 1.00 0.19 H new ATOM 1143 N THR A 76 5.236 4.219 -4.481 1.00 0.13 N ATOM 1144 CA THR A 76 4.550 3.575 -5.659 1.00 0.12 C ATOM 1145 C THR A 76 3.271 2.917 -5.153 1.00 0.12 C ATOM 1146 O THR A 76 3.316 1.941 -4.435 1.00 0.18 O ATOM 1147 CB THR A 76 5.443 2.486 -6.298 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.788 2.914 -6.287 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.008 2.240 -7.749 1.00 0.13 C ATOM 0 H THR A 76 5.595 3.568 -3.782 1.00 0.13 H new ATOM 0 HA THR A 76 4.342 4.336 -6.411 1.00 0.12 H new ATOM 0 HB THR A 76 5.343 1.563 -5.727 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.821 3.890 -6.363 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.641 1.472 -8.193 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.970 1.909 -7.766 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.104 3.164 -8.319 1.00 0.13 H new ATOM 1157 N PHE A 77 2.129 3.429 -5.512 1.00 0.09 N ATOM 1158 CA PHE A 77 0.870 2.797 -5.024 1.00 0.09 C ATOM 1159 C PHE A 77 0.473 1.667 -5.959 1.00 0.09 C ATOM 1160 O PHE A 77 0.161 1.877 -7.114 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.258 3.822 -4.965 1.00 0.10 C ATOM 1162 CG PHE A 77 0.048 4.818 -3.883 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.199 4.481 -2.541 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.581 6.078 -4.210 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.088 5.407 -1.522 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.869 7.006 -3.193 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.623 6.672 -1.848 1.00 0.12 C ATOM 0 H PHE A 77 2.011 4.245 -6.113 1.00 0.09 H new ATOM 0 HA PHE A 77 1.043 2.406 -4.021 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.359 4.327 -5.925 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.208 3.327 -4.764 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.608 3.513 -2.293 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.769 6.333 -5.242 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.101 5.150 -0.490 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.278 7.973 -3.444 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.843 7.383 -1.066 1.00 0.12 H new ATOM 1177 N GLN A 78 0.472 0.468 -5.450 1.00 0.07 N ATOM 1178 CA GLN A 78 0.086 -0.715 -6.267 1.00 0.07 C ATOM 1179 C GLN A 78 -1.179 -1.297 -5.648 1.00 0.06 C ATOM 1180 O GLN A 78 -1.275 -1.458 -4.447 1.00 0.07 O ATOM 1181 CB GLN A 78 1.223 -1.743 -6.231 1.00 0.08 C ATOM 1182 CG GLN A 78 2.562 -1.015 -6.333 1.00 0.12 C ATOM 1183 CD GLN A 78 3.699 -2.035 -6.468 1.00 0.14 C ATOM 1184 OE1 GLN A 78 4.832 -1.741 -6.142 1.00 0.81 O ATOM 1185 NE2 GLN A 78 3.447 -3.226 -6.940 1.00 1.03 N ATOM 0 H GLN A 78 0.727 0.254 -4.486 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.095 -0.441 -7.306 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.179 -2.320 -5.307 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.116 -2.450 -7.054 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.558 -0.346 -7.193 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.719 -0.397 -5.449 1.00 0.12 H new ATOM 0 HE21 GLN A 78 2.497 -3.475 -7.214 1.00 1.03 H new ATOM 0 HE22 GLN A 78 4.200 -3.907 -7.034 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.167 -1.576 -6.453 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.456 -2.108 -5.918 1.00 0.07 C ATOM 1196 C PHE A 79 -3.560 -3.596 -6.219 1.00 0.07 C ATOM 1197 O PHE A 79 -3.404 -4.030 -7.343 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.613 -1.357 -6.585 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.551 0.099 -6.174 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.517 0.918 -6.649 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.513 0.627 -5.300 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.439 2.268 -6.257 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.440 1.973 -4.897 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.404 2.795 -5.375 1.00 0.11 C ATOM 0 H PHE A 79 -2.138 -1.458 -7.466 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.499 -1.965 -4.838 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.546 -1.446 -7.669 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.567 -1.793 -6.288 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.775 0.511 -7.320 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.312 -0.002 -4.935 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.644 2.897 -6.630 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.180 2.375 -4.220 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.348 3.829 -5.067 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.821 -4.380 -5.204 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.943 -5.855 -5.382 1.00 0.08 C ATOM 1216 C PHE A 80 -5.323 -6.297 -4.911 1.00 0.11 C ATOM 1217 O PHE A 80 -5.957 -5.646 -4.102 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.868 -6.560 -4.546 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.526 -6.442 -5.233 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.193 -7.314 -6.288 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.605 -5.463 -4.815 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.060 -7.205 -6.922 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.646 -5.355 -5.449 1.00 0.11 C ATOM 1224 CZ PHE A 80 0.980 -6.225 -6.501 1.00 0.14 C ATOM 0 H PHE A 80 -3.956 -4.054 -4.247 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.810 -6.114 -6.433 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.818 -6.116 -3.552 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.128 -7.610 -4.413 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.898 -8.066 -6.611 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.859 -4.794 -4.006 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.315 -7.873 -7.731 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.351 -4.603 -5.127 1.00 0.11 H new ATOM 0 HZ PHE A 80 1.941 -6.142 -6.986 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.794 -7.396 -5.416 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.133 -7.895 -5.013 1.00 0.14 C ATOM 1236 C LYS A 81 -7.152 -9.405 -5.233 1.00 0.14 C ATOM 1237 O LYS A 81 -6.886 -9.881 -6.318 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.207 -7.215 -5.876 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.569 -7.279 -5.176 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.580 -6.442 -5.965 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.877 -6.301 -5.164 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.608 -7.599 -5.172 1.00 1.48 N ATOM 0 H LYS A 81 -5.305 -7.976 -6.097 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.337 -7.669 -3.966 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.933 -6.176 -6.059 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.266 -7.705 -6.848 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.908 -8.313 -5.108 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.485 -6.904 -4.156 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.164 -5.457 -6.176 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.785 -6.914 -6.926 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.654 -6.003 -4.139 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.500 -5.518 -5.595 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.615 -7.432 -4.973 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.509 -8.047 -6.105 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.211 -8.226 -4.443 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.443 -10.159 -4.211 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.463 -11.640 -4.355 1.00 0.20 C ATOM 1258 C LYS A 82 -6.111 -12.129 -4.887 1.00 0.20 C ATOM 1259 O LYS A 82 -6.025 -13.150 -5.541 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.586 -12.055 -5.320 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.928 -12.060 -4.582 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.031 -12.561 -5.523 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.219 -11.581 -6.690 1.00 1.19 C ATOM 1264 NZ LYS A 82 -12.593 -11.737 -7.247 1.00 1.67 N ATOM 0 H LYS A 82 -7.669 -9.812 -3.279 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.646 -12.091 -3.380 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.627 -11.366 -6.163 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.381 -13.045 -5.727 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.868 -12.700 -3.702 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.165 -11.056 -4.230 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.772 -13.548 -5.906 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.967 -12.668 -4.974 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -11.067 -10.557 -6.348 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -10.476 -11.773 -7.464 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -12.724 -11.075 -8.038 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -12.721 -12.712 -7.587 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.293 -11.534 -6.505 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.053 -11.422 -4.597 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.706 -11.863 -5.067 1.00 0.21 C ATOM 1280 C GLY A 83 -3.449 -11.392 -6.501 1.00 0.19 C ATOM 1281 O GLY A 83 -2.404 -11.659 -7.061 1.00 0.22 O ATOM 0 H GLY A 83 -5.062 -10.558 -4.055 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.937 -11.465 -4.405 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.637 -12.950 -5.019 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.387 -10.702 -7.107 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.185 -10.221 -8.518 1.00 0.17 C ATOM 1287 C GLN A 84 -4.043 -8.700 -8.549 1.00 0.16 C ATOM 1288 O GLN A 84 -4.633 -7.992 -7.758 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.390 -10.609 -9.370 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.649 -12.112 -9.241 1.00 0.23 C ATOM 1291 CD GLN A 84 -6.956 -12.471 -9.952 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -6.967 -13.280 -10.857 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -8.068 -11.899 -9.575 1.00 2.08 N ATOM 0 H GLN A 84 -5.283 -10.450 -6.689 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.278 -10.681 -8.910 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.269 -10.050 -9.050 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.209 -10.349 -10.413 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -4.821 -12.672 -9.675 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -5.707 -12.392 -8.189 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -8.060 -11.219 -8.815 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -8.945 -12.132 -10.041 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.268 -8.194 -9.472 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.085 -6.719 -9.580 1.00 0.17 C ATOM 1304 C LYS A 85 -4.179 -6.137 -10.478 1.00 0.16 C ATOM 1305 O LYS A 85 -4.590 -6.753 -11.441 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.712 -6.418 -10.179 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.333 -4.971 -9.847 1.00 0.25 C ATOM 1308 CD LYS A 85 -0.035 -4.583 -10.551 1.00 0.30 C ATOM 1309 CE LYS A 85 1.082 -5.578 -10.203 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.009 -6.744 -11.126 1.00 1.70 N ATOM 0 H LYS A 85 -2.752 -8.743 -10.159 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.152 -6.268 -8.590 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.967 -7.105 -9.778 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.731 -6.564 -11.259 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.135 -4.299 -10.154 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.217 -4.857 -8.769 1.00 0.25 H new ATOM 0 HD2 LYS A 85 -0.191 -4.564 -11.630 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.260 -3.577 -10.254 1.00 0.30 H new ATOM 0 HE2 LYS A 85 2.055 -5.094 -10.287 1.00 0.89 H new ATOM 0 HE3 LYS A 85 0.979 -5.911 -9.170 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 0.790 -7.603 -10.583 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 0.263 -6.581 -11.833 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 1.923 -6.863 -11.608 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.658 -4.955 -10.164 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.737 -4.320 -10.990 1.00 0.16 C ATOM 1326 C VAL A 86 -5.281 -2.943 -11.486 1.00 0.18 C ATOM 1327 O VAL A 86 -5.766 -2.447 -12.482 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.993 -4.157 -10.132 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.621 -5.529 -9.879 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.618 -3.514 -8.795 1.00 0.17 C ATOM 0 H VAL A 86 -4.346 -4.400 -9.367 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.951 -4.955 -11.850 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.708 -3.521 -10.654 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.516 -5.412 -9.268 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.889 -5.988 -10.831 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.906 -6.166 -9.358 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.513 -3.398 -8.184 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.902 -4.150 -8.274 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.171 -2.536 -8.974 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.355 -2.319 -10.808 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.888 -0.975 -11.262 1.00 0.18 C ATOM 1342 C GLY A 87 -2.744 -0.490 -10.369 1.00 0.10 C ATOM 1343 O GLY A 87 -2.370 -1.143 -9.416 1.00 0.08 O ATOM 0 H GLY A 87 -3.904 -2.677 -9.966 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.554 -1.028 -12.298 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.713 -0.264 -11.229 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.184 0.654 -10.673 1.00 0.10 N ATOM 1348 CA GLU A 88 -1.063 1.181 -9.844 1.00 0.10 C ATOM 1349 C GLU A 88 -0.698 2.592 -10.294 1.00 0.10 C ATOM 1350 O GLU A 88 -0.947 2.984 -11.417 1.00 0.11 O ATOM 1351 CB GLU A 88 0.159 0.278 -10.004 1.00 0.17 C ATOM 1352 CG GLU A 88 0.550 0.204 -11.481 1.00 0.25 C ATOM 1353 CD GLU A 88 1.654 -0.839 -11.664 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.402 -1.051 -10.724 1.00 1.94 O ATOM 1355 OE2 GLU A 88 1.733 -1.407 -12.740 1.00 2.04 O ATOM 0 H GLU A 88 -2.456 1.244 -11.459 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.376 1.202 -8.800 1.00 0.10 H new ATOM 0 HB2 GLU A 88 0.991 0.666 -9.416 1.00 0.17 H new ATOM 0 HB3 GLU A 88 -0.061 -0.720 -9.625 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.318 -0.060 -12.085 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.895 1.179 -11.826 1.00 0.25 H new ATOM 1362 N PHE A 89 -0.088 3.354 -9.427 1.00 0.09 N ATOM 1363 CA PHE A 89 0.316 4.732 -9.810 1.00 0.09 C ATOM 1364 C PHE A 89 1.247 5.324 -8.747 1.00 0.09 C ATOM 1365 O PHE A 89 0.976 5.279 -7.566 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.926 5.623 -10.014 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.555 6.014 -8.691 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.941 6.981 -7.867 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.771 5.422 -8.290 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.539 7.348 -6.649 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.367 5.793 -7.072 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.752 6.755 -6.251 1.00 0.11 C ATOM 0 H PHE A 89 0.147 3.080 -8.473 1.00 0.09 H new ATOM 0 HA PHE A 89 0.858 4.689 -10.755 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.644 6.521 -10.563 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.658 5.094 -10.623 1.00 0.09 H new ATOM 0 HD1 PHE A 89 -0.012 7.439 -8.172 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.245 4.683 -8.919 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -1.067 8.086 -6.018 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.298 5.339 -6.767 1.00 0.10 H new ATOM 0 HZ PHE A 89 -3.210 7.039 -5.315 1.00 0.11 H new ATOM 1382 N SER A 90 2.354 5.880 -9.170 1.00 0.13 N ATOM 1383 CA SER A 90 3.322 6.491 -8.207 1.00 0.14 C ATOM 1384 C SER A 90 3.139 8.008 -8.230 1.00 0.14 C ATOM 1385 O SER A 90 2.125 8.512 -8.669 1.00 0.17 O ATOM 1386 CB SER A 90 4.746 6.143 -8.641 1.00 0.15 C ATOM 1387 OG SER A 90 5.151 7.034 -9.672 1.00 0.16 O ATOM 0 H SER A 90 2.631 5.938 -10.150 1.00 0.13 H new ATOM 0 HA SER A 90 3.146 6.110 -7.201 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.426 6.217 -7.792 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.790 5.113 -8.996 1.00 0.15 H new ATOM 0 HG SER A 90 5.747 7.716 -9.299 1.00 0.16 H new ATOM 1393 N GLY A 91 4.109 8.742 -7.764 1.00 0.12 N ATOM 1394 CA GLY A 91 3.981 10.231 -7.765 1.00 0.13 C ATOM 1395 C GLY A 91 3.178 10.664 -6.542 1.00 0.13 C ATOM 1396 O GLY A 91 2.093 10.178 -6.297 1.00 0.13 O ATOM 0 H GLY A 91 4.983 8.380 -7.383 1.00 0.12 H new ATOM 0 HA2 GLY A 91 4.968 10.693 -7.750 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.487 10.565 -8.677 1.00 0.13 H new ATOM 1400 N ALA A 92 3.708 11.560 -5.758 1.00 0.15 N ATOM 1401 CA ALA A 92 2.969 11.999 -4.538 1.00 0.17 C ATOM 1402 C ALA A 92 1.583 12.546 -4.905 1.00 0.15 C ATOM 1403 O ALA A 92 1.430 13.703 -5.242 1.00 0.16 O ATOM 1404 CB ALA A 92 3.772 13.093 -3.815 1.00 0.20 C ATOM 0 H ALA A 92 4.614 12.006 -5.906 1.00 0.15 H new ATOM 0 HA ALA A 92 2.842 11.136 -3.884 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.231 13.413 -2.924 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.746 12.698 -3.526 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.909 13.945 -4.482 1.00 0.20 H new ATOM 1410 N ASN A 93 0.568 11.729 -4.803 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.820 12.199 -5.100 1.00 0.13 C ATOM 1412 C ASN A 93 -1.771 11.522 -4.107 1.00 0.12 C ATOM 1413 O ASN A 93 -2.454 10.571 -4.433 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.208 11.827 -6.539 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.358 12.726 -7.001 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.361 12.845 -6.327 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.251 13.374 -8.127 1.00 1.15 N ATOM 0 H ASN A 93 0.640 10.750 -4.525 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.880 13.283 -5.002 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.350 11.945 -7.201 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.507 10.780 -6.588 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.009 13.980 -8.441 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -1.409 13.275 -8.694 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.798 11.989 -2.888 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.677 11.357 -1.861 1.00 0.20 C ATOM 1426 C LYS A 94 -4.152 11.492 -2.251 1.00 0.18 C ATOM 1427 O LYS A 94 -4.960 10.639 -1.943 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.445 12.025 -0.496 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.349 13.565 -0.653 1.00 0.38 C ATOM 1430 CD LYS A 94 -0.877 14.020 -0.645 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.380 14.156 0.799 1.00 0.78 C ATOM 1432 NZ LYS A 94 1.094 14.381 0.800 1.00 1.19 N ATOM 0 H LYS A 94 -1.248 12.782 -2.558 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.427 10.298 -1.800 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.261 11.773 0.182 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.528 11.642 -0.048 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -2.825 13.871 -1.585 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.891 14.053 0.157 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.262 13.300 -1.184 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.779 14.974 -1.164 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.885 14.987 1.292 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.621 13.256 1.364 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.529 13.828 1.566 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 1.492 14.081 -0.113 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 1.291 15.391 0.948 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.517 12.551 -2.911 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.942 12.721 -3.299 1.00 0.20 C ATOM 1448 C GLU A 95 -6.331 11.626 -4.296 1.00 0.17 C ATOM 1449 O GLU A 95 -7.485 11.266 -4.421 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.127 14.094 -3.949 1.00 0.24 C ATOM 1451 CG GLU A 95 -6.135 15.178 -2.869 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.214 16.555 -3.530 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -6.565 16.608 -4.698 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -5.923 17.531 -2.859 1.00 1.86 O ATOM 0 H GLU A 95 -3.893 13.305 -3.198 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.575 12.648 -2.415 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.323 14.282 -4.661 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.061 14.119 -4.510 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.984 15.034 -2.201 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.234 15.106 -2.260 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.376 11.099 -5.010 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.684 10.035 -6.002 1.00 0.14 C ATOM 1463 C LYS A 96 -6.056 8.741 -5.277 1.00 0.12 C ATOM 1464 O LYS A 96 -6.917 8.007 -5.714 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.463 9.794 -6.900 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.899 9.120 -8.207 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.690 8.962 -9.153 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.158 8.987 -10.613 1.00 1.18 C ATOM 1469 NZ LYS A 96 -5.356 8.115 -10.768 1.00 2.05 N ATOM 0 H LYS A 96 -4.392 11.361 -4.948 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.525 10.354 -6.618 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -3.968 10.741 -7.117 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.738 9.166 -6.382 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -5.334 8.143 -7.994 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.674 9.715 -8.691 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.974 9.765 -8.978 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.175 8.025 -8.944 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -4.397 10.008 -10.911 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -3.358 8.643 -11.268 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -5.442 7.817 -11.761 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -5.255 7.276 -10.162 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -6.208 8.643 -10.490 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.414 8.444 -4.177 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.753 7.185 -3.455 1.00 0.11 C ATOM 1485 C LEU A 97 -7.261 7.139 -3.219 1.00 0.11 C ATOM 1486 O LEU A 97 -7.877 6.092 -3.258 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.045 7.136 -2.090 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.523 6.995 -2.266 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.823 7.423 -0.965 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.146 5.522 -2.607 1.00 0.13 C ATOM 0 H LEU A 97 -4.680 9.011 -3.753 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.428 6.337 -4.059 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.268 8.043 -1.528 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.427 6.298 -1.507 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.199 7.633 -3.088 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.744 7.325 -1.083 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.071 8.461 -0.743 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.157 6.787 -0.146 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.066 5.442 -2.728 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.470 4.867 -1.799 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.638 5.226 -3.534 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.857 8.269 -2.961 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.326 8.295 -2.708 1.00 0.14 C ATOM 1504 C GLU A 98 -10.085 7.905 -3.979 1.00 0.13 C ATOM 1505 O GLU A 98 -10.842 6.954 -3.997 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.743 9.705 -2.282 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.201 9.689 -1.817 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.649 11.114 -1.491 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -10.820 11.888 -1.041 1.00 2.15 O ATOM 1510 OE2 GLU A 98 -12.816 11.409 -1.697 1.00 2.05 O ATOM 0 H GLU A 98 -7.392 9.176 -2.914 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.564 7.584 -1.917 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.098 10.059 -1.478 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.624 10.398 -3.115 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.837 9.266 -2.594 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.306 9.053 -0.938 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.898 8.642 -5.039 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.617 8.331 -6.309 1.00 0.14 C ATOM 1519 C ALA A 99 -10.268 6.921 -6.797 1.00 0.12 C ATOM 1520 O ALA A 99 -11.108 6.214 -7.310 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.216 9.350 -7.377 1.00 0.15 C ATOM 0 H ALA A 99 -9.276 9.449 -5.081 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.690 8.381 -6.126 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.739 9.127 -8.307 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.483 10.352 -7.042 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -9.140 9.298 -7.544 1.00 0.15 H new ATOM 1527 N THR A 100 -9.036 6.511 -6.657 1.00 0.11 N ATOM 1528 CA THR A 100 -8.643 5.151 -7.135 1.00 0.11 C ATOM 1529 C THR A 100 -9.329 4.074 -6.288 1.00 0.10 C ATOM 1530 O THR A 100 -9.858 3.110 -6.805 1.00 0.11 O ATOM 1531 CB THR A 100 -7.124 4.995 -7.029 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.493 6.070 -7.710 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.700 3.668 -7.662 1.00 0.12 C ATOM 0 H THR A 100 -8.285 7.056 -6.234 1.00 0.11 H new ATOM 0 HA THR A 100 -8.953 5.035 -8.173 1.00 0.11 H new ATOM 0 HB THR A 100 -6.829 5.004 -5.980 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.606 6.895 -7.194 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.618 3.558 -7.586 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.186 2.844 -7.140 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.993 3.656 -8.712 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.326 4.229 -4.995 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.980 3.211 -4.117 1.00 0.11 C ATOM 1543 C ILE A 101 -11.471 3.134 -4.462 1.00 0.13 C ATOM 1544 O ILE A 101 -11.998 2.074 -4.729 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.801 3.621 -2.644 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.331 3.407 -2.222 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.721 2.771 -1.753 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.993 4.242 -0.977 1.00 0.18 C ATOM 0 H ILE A 101 -8.900 5.015 -4.504 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.523 2.234 -4.274 1.00 0.11 H new ATOM 0 HB ILE A 101 -10.061 4.673 -2.530 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.158 2.351 -2.015 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.669 3.684 -3.042 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.591 3.064 -0.711 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.759 2.928 -2.047 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.466 1.717 -1.868 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.953 4.075 -0.698 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.145 5.299 -1.196 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.641 3.945 -0.153 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.153 4.246 -4.459 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.609 4.229 -4.782 1.00 0.17 C ATOM 1562 C ASN A 102 -13.813 3.657 -6.184 1.00 0.18 C ATOM 1563 O ASN A 102 -14.896 3.241 -6.547 1.00 0.21 O ATOM 1564 CB ASN A 102 -14.158 5.656 -4.732 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.687 5.619 -4.754 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.284 4.571 -4.597 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.352 6.726 -4.943 1.00 1.03 N ATOM 0 H ASN A 102 -11.766 5.166 -4.247 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.135 3.610 -4.055 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.809 6.159 -3.830 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.786 6.229 -5.581 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.372 6.712 -4.959 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.852 7.605 -5.075 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.782 3.639 -6.979 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.912 3.100 -8.362 1.00 0.18 C ATOM 1576 C GLU A 103 -12.920 1.569 -8.331 1.00 0.19 C ATOM 1577 O GLU A 103 -13.826 0.931 -8.830 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.721 3.583 -9.202 1.00 0.17 C ATOM 1579 CG GLU A 103 -12.056 3.482 -10.701 1.00 0.22 C ATOM 1580 CD GLU A 103 -12.841 4.719 -11.152 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -13.762 5.105 -10.453 1.00 2.02 O ATOM 1582 OE2 GLU A 103 -12.505 5.259 -12.194 1.00 2.01 O ATOM 0 H GLU A 103 -11.851 3.975 -6.731 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.846 3.452 -8.799 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.478 4.614 -8.944 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.840 2.982 -8.977 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -11.138 3.394 -11.281 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.641 2.582 -10.891 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.900 0.980 -7.770 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.811 -0.510 -7.723 1.00 0.19 C ATOM 1591 C LEU A 104 -12.404 -1.044 -6.418 1.00 0.19 C ATOM 1592 O LEU A 104 -12.188 -2.183 -6.053 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.337 -0.911 -7.812 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.646 -0.076 -8.894 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.209 -0.568 -9.078 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.408 -0.209 -10.217 1.00 0.35 C ATOM 0 H LEU A 104 -11.117 1.470 -7.338 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.374 -0.932 -8.556 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.848 -0.756 -6.850 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.251 -1.972 -8.046 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.636 0.971 -8.590 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.717 0.026 -9.848 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.666 -0.465 -8.138 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.219 -1.616 -9.379 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.913 0.387 -10.984 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.424 -1.255 -10.524 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.430 0.146 -10.086 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.149 -0.245 -5.709 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.741 -0.740 -4.434 1.00 0.22 C ATOM 1610 C VAL A 105 -14.723 -1.874 -4.736 1.00 0.26 C ATOM 1611 O VAL A 105 -15.027 -2.625 -3.825 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.476 0.397 -3.724 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.602 0.920 -4.619 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.064 -0.124 -2.409 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.154 -1.972 -5.873 1.00 1.18 O ATOM 0 H VAL A 105 -13.373 0.720 -5.952 1.00 0.20 H new ATOM 0 HA VAL A 105 -12.944 -1.108 -3.788 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.778 1.208 -3.516 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.124 1.730 -4.111 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.181 1.290 -5.554 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.303 0.113 -4.831 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.589 0.684 -1.900 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.762 -0.935 -2.618 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.260 -0.493 -1.772 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 23.317 0.577 6.351 1.00 0.00 N ATOM 1627 CA PHE B 1 22.501 1.704 5.816 1.00 0.00 C ATOM 1628 C PHE B 1 21.251 1.148 5.129 1.00 0.00 C ATOM 1629 O PHE B 1 21.009 -0.042 5.129 1.00 0.00 O ATOM 1630 CB PHE B 1 23.334 2.496 4.803 1.00 0.00 C ATOM 1631 CG PHE B 1 23.635 1.627 3.603 1.00 0.00 C ATOM 1632 CD1 PHE B 1 22.727 1.573 2.530 1.00 0.00 C ATOM 1633 CD2 PHE B 1 24.823 0.873 3.559 1.00 0.00 C ATOM 1634 CE1 PHE B 1 23.003 0.768 1.411 1.00 0.00 C ATOM 1635 CE2 PHE B 1 25.101 0.064 2.439 1.00 0.00 C ATOM 1636 CZ PHE B 1 24.191 0.012 1.364 1.00 0.00 C ATOM 0 H1 PHE B 1 23.726 0.849 7.268 1.00 0.00 H new ATOM 0 H2 PHE B 1 22.713 -0.260 6.476 1.00 0.00 H new ATOM 0 H3 PHE B 1 24.082 0.355 5.683 1.00 0.00 H new ATOM 0 HA PHE B 1 22.202 2.360 6.634 1.00 0.00 H new ATOM 0 HB2 PHE B 1 22.793 3.389 4.491 1.00 0.00 H new ATOM 0 HB3 PHE B 1 24.263 2.831 5.264 1.00 0.00 H new ATOM 0 HD1 PHE B 1 21.816 2.151 2.566 1.00 0.00 H new ATOM 0 HD2 PHE B 1 25.520 0.914 4.383 1.00 0.00 H new ATOM 0 HE1 PHE B 1 22.305 0.729 0.588 1.00 0.00 H new ATOM 0 HE2 PHE B 1 26.011 -0.516 2.404 1.00 0.00 H new ATOM 0 HZ PHE B 1 24.404 -0.607 0.505 1.00 0.00 H new ATOM 1648 N ARG B 2 20.457 2.001 4.537 1.00 0.00 N ATOM 1649 CA ARG B 2 19.224 1.524 3.843 1.00 0.00 C ATOM 1650 C ARG B 2 18.844 2.523 2.746 1.00 0.00 C ATOM 1651 O ARG B 2 17.900 3.278 2.876 1.00 0.00 O ATOM 1652 CB ARG B 2 18.078 1.400 4.859 1.00 0.00 C ATOM 1653 CG ARG B 2 18.265 0.135 5.713 1.00 0.00 C ATOM 1654 CD ARG B 2 16.958 -0.219 6.429 1.00 0.00 C ATOM 1655 NE ARG B 2 16.734 0.720 7.563 1.00 0.00 N ATOM 1656 CZ ARG B 2 15.558 0.788 8.127 1.00 0.00 C ATOM 1657 NH1 ARG B 2 14.580 0.043 7.688 1.00 0.00 N ATOM 1658 NH2 ARG B 2 15.360 1.599 9.129 1.00 0.00 N ATOM 0 H ARG B 2 20.609 3.009 4.504 1.00 0.00 H new ATOM 0 HA ARG B 2 19.408 0.548 3.394 1.00 0.00 H new ATOM 0 HB2 ARG B 2 18.053 2.281 5.500 1.00 0.00 H new ATOM 0 HB3 ARG B 2 17.122 1.358 4.337 1.00 0.00 H new ATOM 0 HG2 ARG B 2 18.578 -0.696 5.081 1.00 0.00 H new ATOM 0 HG3 ARG B 2 19.057 0.295 6.445 1.00 0.00 H new ATOM 0 HD2 ARG B 2 16.123 -0.165 5.730 1.00 0.00 H new ATOM 0 HD3 ARG B 2 17.000 -1.244 6.797 1.00 0.00 H new ATOM 0 HE ARG B 2 17.497 1.308 7.898 1.00 0.00 H new ATOM 0 HH11 ARG B 2 14.734 -0.592 6.905 1.00 0.00 H new ATOM 0 HH12 ARG B 2 13.661 0.096 8.128 1.00 0.00 H new ATOM 0 HH21 ARG B 2 16.124 2.181 9.473 1.00 0.00 H new ATOM 0 HH22 ARG B 2 14.441 1.651 9.569 1.00 0.00 H new ATOM 1672 N PHE B 3 19.582 2.524 1.660 1.00 0.00 N ATOM 1673 CA PHE B 3 19.297 3.462 0.527 1.00 0.00 C ATOM 1674 C PHE B 3 19.057 2.654 -0.755 1.00 0.00 C ATOM 1675 O PHE B 3 19.567 1.564 -0.918 1.00 0.00 O ATOM 1676 CB PHE B 3 20.504 4.391 0.330 1.00 0.00 C ATOM 1677 CG PHE B 3 20.456 5.516 1.342 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.779 5.273 2.692 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.090 6.811 0.931 1.00 0.00 C ATOM 1680 CE1 PHE B 3 20.736 6.324 3.628 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.047 7.862 1.868 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.370 7.619 3.215 1.00 0.00 C ATOM 0 H PHE B 3 20.380 1.907 1.509 1.00 0.00 H new ATOM 0 HA PHE B 3 18.410 4.055 0.752 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.430 3.828 0.443 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.500 4.799 -0.681 1.00 0.00 H new ATOM 0 HD1 PHE B 3 21.060 4.280 3.009 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.842 6.999 -0.103 1.00 0.00 H new ATOM 0 HE1 PHE B 3 20.984 6.137 4.662 1.00 0.00 H new ATOM 0 HE2 PHE B 3 19.766 8.856 1.552 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.337 8.426 3.932 1.00 0.00 H new ATOM 1692 N ARG B 4 18.282 3.187 -1.667 1.00 0.00 N ATOM 1693 CA ARG B 4 18.000 2.459 -2.942 1.00 0.00 C ATOM 1694 C ARG B 4 17.880 3.474 -4.091 1.00 0.00 C ATOM 1695 O ARG B 4 18.874 3.983 -4.570 1.00 0.00 O ATOM 1696 CB ARG B 4 16.693 1.662 -2.792 1.00 0.00 C ATOM 1697 CG ARG B 4 16.985 0.274 -2.192 1.00 0.00 C ATOM 1698 CD ARG B 4 17.773 -0.604 -3.195 1.00 0.00 C ATOM 1699 NE ARG B 4 17.077 -1.913 -3.352 1.00 0.00 N ATOM 1700 CZ ARG B 4 17.387 -2.702 -4.345 1.00 0.00 C ATOM 1701 NH1 ARG B 4 18.311 -2.349 -5.195 1.00 0.00 N ATOM 1702 NH2 ARG B 4 16.771 -3.843 -4.488 1.00 0.00 N ATOM 0 H ARG B 4 17.831 4.098 -1.583 1.00 0.00 H new ATOM 0 HA ARG B 4 18.813 1.768 -3.165 1.00 0.00 H new ATOM 0 HB2 ARG B 4 15.998 2.205 -2.151 1.00 0.00 H new ATOM 0 HB3 ARG B 4 16.211 1.553 -3.764 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.557 0.384 -1.271 1.00 0.00 H new ATOM 0 HG3 ARG B 4 16.048 -0.218 -1.929 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.847 -0.100 -4.159 1.00 0.00 H new ATOM 0 HD3 ARG B 4 18.791 -0.760 -2.838 1.00 0.00 H new ATOM 0 HE ARG B 4 16.359 -2.192 -2.684 1.00 0.00 H new ATOM 0 HH11 ARG B 4 18.792 -1.456 -5.084 1.00 0.00 H new ATOM 0 HH12 ARG B 4 18.553 -2.966 -5.971 1.00 0.00 H new ATOM 0 HH21 ARG B 4 16.047 -4.119 -3.824 1.00 0.00 H new ATOM 0 HH22 ARG B 4 17.013 -4.460 -5.264 1.00 0.00 H new ATOM 1716 N TYR B 5 16.675 3.773 -4.540 1.00 0.00 N ATOM 1717 CA TYR B 5 16.502 4.758 -5.666 1.00 0.00 C ATOM 1718 C TYR B 5 15.885 6.072 -5.158 1.00 0.00 C ATOM 1719 O TYR B 5 15.819 6.325 -3.971 1.00 0.00 O ATOM 1720 CB TYR B 5 15.644 4.143 -6.790 1.00 0.00 C ATOM 1721 CG TYR B 5 14.543 3.276 -6.232 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.803 1.933 -5.896 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.249 3.798 -6.088 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.767 1.118 -5.402 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.212 2.985 -5.602 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.470 1.645 -5.255 1.00 0.00 C ATOM 1727 OH TYR B 5 11.453 0.848 -4.777 1.00 0.00 O ATOM 0 H TYR B 5 15.808 3.378 -4.176 1.00 0.00 H new ATOM 0 HA TYR B 5 17.486 4.990 -6.074 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.211 4.939 -7.395 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.277 3.550 -7.450 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.797 1.529 -6.017 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.050 4.826 -6.351 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.967 0.090 -5.136 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.216 3.388 -5.494 1.00 0.00 H new ATOM 0 HH TYR B 5 11.801 -0.049 -4.591 1.00 0.00 H new ATOM 1737 N VAL B 6 15.492 6.934 -6.063 1.00 0.00 N ATOM 1738 CA VAL B 6 14.945 8.271 -5.667 1.00 0.00 C ATOM 1739 C VAL B 6 13.484 8.207 -5.221 1.00 0.00 C ATOM 1740 O VAL B 6 12.702 7.399 -5.684 1.00 0.00 O ATOM 1741 CB VAL B 6 15.037 9.217 -6.866 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.901 10.665 -6.394 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.384 9.029 -7.555 1.00 0.00 C ATOM 0 H VAL B 6 15.527 6.768 -7.069 1.00 0.00 H new ATOM 0 HA VAL B 6 15.537 8.624 -4.823 1.00 0.00 H new ATOM 0 HB VAL B 6 14.233 8.992 -7.567 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.967 11.335 -7.251 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.937 10.799 -5.903 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.702 10.895 -5.691 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.452 9.702 -8.410 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.187 9.253 -6.852 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.477 7.998 -7.896 1.00 0.00 H new ATOM 1753 N CYS B 7 13.112 9.105 -4.340 1.00 0.00 N ATOM 1754 CA CYS B 7 11.703 9.177 -3.860 1.00 0.00 C ATOM 1755 C CYS B 7 11.001 10.334 -4.566 1.00 0.00 C ATOM 1756 O CYS B 7 11.105 11.474 -4.158 1.00 0.00 O ATOM 1757 CB CYS B 7 11.681 9.406 -2.345 1.00 0.00 C ATOM 1758 SG CYS B 7 12.948 8.382 -1.557 1.00 0.00 S ATOM 0 H CYS B 7 13.737 9.799 -3.930 1.00 0.00 H new ATOM 0 HA CYS B 7 11.190 8.241 -4.082 1.00 0.00 H new ATOM 0 HB2 CYS B 7 11.860 10.458 -2.124 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.698 9.159 -1.944 1.00 0.00 H new ATOM 1763 N GLU B 8 10.293 10.058 -5.625 1.00 0.00 N ATOM 1764 CA GLU B 8 9.596 11.158 -6.357 1.00 0.00 C ATOM 1765 C GLU B 8 8.261 11.479 -5.679 1.00 0.00 C ATOM 1766 O GLU B 8 7.232 11.624 -6.319 1.00 0.00 O ATOM 1767 CB GLU B 8 9.358 10.774 -7.831 1.00 0.00 C ATOM 1768 CG GLU B 8 8.912 9.309 -7.960 1.00 0.00 C ATOM 1769 CD GLU B 8 7.507 9.131 -7.382 1.00 0.00 C ATOM 1770 OE1 GLU B 8 7.385 9.075 -6.171 1.00 0.00 O ATOM 1771 OE2 GLU B 8 6.576 9.042 -8.164 1.00 0.00 O ATOM 0 H GLU B 8 10.166 9.124 -6.016 1.00 0.00 H new ATOM 0 HA GLU B 8 10.233 12.042 -6.330 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.599 11.427 -8.261 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.273 10.930 -8.402 1.00 0.00 H new ATOM 0 HG2 GLU B 8 8.923 9.009 -9.008 1.00 0.00 H new ATOM 0 HG3 GLU B 8 9.614 8.660 -7.436 1.00 0.00 H new ATOM 1778 N GLY B 9 8.276 11.633 -4.386 1.00 0.00 N ATOM 1779 CA GLY B 9 7.023 11.991 -3.674 1.00 0.00 C ATOM 1780 C GLY B 9 6.805 13.502 -3.897 1.00 0.00 C ATOM 1781 O GLY B 9 6.808 13.928 -5.035 1.00 0.00 O ATOM 0 H GLY B 9 9.100 11.527 -3.794 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.181 11.417 -4.060 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.103 11.764 -2.611 1.00 0.00 H new ATOM 1785 N PRO B 10 6.650 14.300 -2.851 1.00 0.00 N ATOM 1786 CA PRO B 10 6.481 15.753 -3.046 1.00 0.00 C ATOM 1787 C PRO B 10 7.793 16.357 -3.583 1.00 0.00 C ATOM 1788 O PRO B 10 8.074 17.524 -3.395 1.00 0.00 O ATOM 1789 CB PRO B 10 6.141 16.308 -1.644 1.00 0.00 C ATOM 1790 CG PRO B 10 6.301 15.138 -0.629 1.00 0.00 C ATOM 1791 CD PRO B 10 6.613 13.858 -1.439 1.00 0.00 C ATOM 0 HA PRO B 10 5.701 15.997 -3.768 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.805 17.133 -1.386 1.00 0.00 H new ATOM 0 HB3 PRO B 10 5.124 16.699 -1.622 1.00 0.00 H new ATOM 0 HG2 PRO B 10 7.104 15.350 0.077 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.389 15.010 -0.045 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.565 13.421 -1.137 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.849 13.096 -1.283 1.00 0.00 H new ATOM 1799 N SER B 11 8.592 15.564 -4.246 1.00 0.00 N ATOM 1800 CA SER B 11 9.881 16.072 -4.797 1.00 0.00 C ATOM 1801 C SER B 11 9.639 16.657 -6.189 1.00 0.00 C ATOM 1802 O SER B 11 10.379 17.499 -6.659 1.00 0.00 O ATOM 1803 CB SER B 11 10.876 14.909 -4.898 1.00 0.00 C ATOM 1804 OG SER B 11 11.775 15.153 -5.973 1.00 0.00 O ATOM 0 H SER B 11 8.405 14.578 -4.431 1.00 0.00 H new ATOM 0 HA SER B 11 10.285 16.845 -4.143 1.00 0.00 H new ATOM 0 HB2 SER B 11 11.428 14.805 -3.964 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.343 13.972 -5.060 1.00 0.00 H new ATOM 0 HG SER B 11 12.414 14.413 -6.040 1.00 0.00 H new ATOM 1810 N HIS B 12 8.604 16.216 -6.852 1.00 0.00 N ATOM 1811 CA HIS B 12 8.310 16.744 -8.213 1.00 0.00 C ATOM 1812 C HIS B 12 7.641 18.115 -8.096 1.00 0.00 C ATOM 1813 O HIS B 12 6.863 18.361 -7.196 1.00 0.00 O ATOM 1814 CB HIS B 12 7.372 15.778 -8.941 1.00 0.00 C ATOM 1815 CG HIS B 12 7.254 16.181 -10.384 1.00 0.00 C ATOM 1816 ND1 HIS B 12 6.063 16.634 -10.930 1.00 0.00 N ATOM 1817 CD2 HIS B 12 8.168 16.202 -11.409 1.00 0.00 C ATOM 1818 CE1 HIS B 12 6.290 16.907 -12.228 1.00 0.00 C ATOM 1819 NE2 HIS B 12 7.557 16.660 -12.572 1.00 0.00 N ATOM 0 H HIS B 12 7.950 15.513 -6.509 1.00 0.00 H new ATOM 0 HA HIS B 12 9.239 16.842 -8.774 1.00 0.00 H new ATOM 0 HB2 HIS B 12 7.754 14.760 -8.867 1.00 0.00 H new ATOM 0 HB3 HIS B 12 6.389 15.785 -8.470 1.00 0.00 H new ATOM 0 HD2 HIS B 12 9.204 15.908 -11.325 1.00 0.00 H new ATOM 0 HE1 HIS B 12 5.539 17.280 -12.909 1.00 0.00 H new ATOM 0 HE2 HIS B 12 7.985 16.781 -13.490 1.00 0.00 H new ATOM 1827 N GLY B 13 7.938 19.010 -8.997 1.00 0.00 N ATOM 1828 CA GLY B 13 7.318 20.364 -8.933 1.00 0.00 C ATOM 1829 C GLY B 13 5.818 20.253 -9.211 1.00 0.00 C ATOM 1830 O GLY B 13 5.424 19.293 -9.852 1.00 0.00 O ATOM 1831 OXT GLY B 13 5.089 21.130 -8.779 1.00 0.00 O ATOM 0 H GLY B 13 8.582 18.863 -9.774 1.00 0.00 H new ATOM 0 HA2 GLY B 13 7.485 20.806 -7.951 1.00 0.00 H new ATOM 0 HA3 GLY B 13 7.786 21.025 -9.663 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -6.913 -9.954 -1.525 1.00 0.24 O HETATM 1839 O HOH A 107 9.339 -3.490 4.871 1.00 0.40 O HETATM 1842 O HOH A 108 12.471 1.522 2.229 1.00 0.32 O HETATM 1845 O HOH A 109 -8.920 -8.683 -0.145 1.00 0.26 O HETATM 1848 O HOH A 110 -7.503 -13.091 0.165 1.00 0.21 O HETATM 1851 O HOH A 111 -12.338 -2.983 0.342 1.00 0.37 O