USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 814 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 MET CE :methyl -165:sc= -0.569 (180deg=-1.51!) USER MOD Set 1.2: A 88 MET CE :methyl -167:sc=-0.00623 (180deg=-0.23) USER MOD Set 2.1: A 58 MET CE :methyl 174:sc= -1.34 (180deg=-1.3) USER MOD Set 2.2: A 97 MET CE :methyl 158:sc= -0.91 (180deg=-0.0891) USER MOD Set 3.1: A 38 HIS : no HD1:sc= 0.0272 X(o=-3.2,f=-3.6) USER MOD Set 3.2: A 87 HIS : no HD1:sc= -3.18! C(o=-3.2!,f=-2.7!) USER MOD Single : A 3 HIS : no HD1:sc= -1.56 X(o=-1.6,f=-1.7) USER MOD Single : A 4 SER OG : rot 35:sc= 0.0501 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc=0.000315 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.0393 F(o=-0.75,f=-0.039) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -69:sc= -1.09 USER MOD Single : A 32 THR OG1 : rot 80:sc= 0.0974 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -58:sc= 0.15 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.252 K(o=0.25,f=-11!) USER MOD Single : A 65 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0786) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 153:sc= -0.464 (180deg=-1.58!) USER MOD Single : A 75 ASN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.0836 X(o=-0.084,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -0.229 K(o=-0.23,f=-5.5!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -1.48 K(o=-1.5,f=-2.2) USER MOD Single : A 101 LYS NZ :NH3+ 135:sc= 0.195 (180deg=0.019) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 81:sc= 1.1 USER MOD Single : A 105 GLN : amide:sc= 0.58 K(o=0.58,f=-0.037) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.636 F(o=-1.2,f=-0.64) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 30:sc= -2.05 USER MOD Single : A 112 LYS NZ :NH3+ -164:sc= -0.137 (180deg=-0.271) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 -7.960 10.753 7.351 1.00 0.00 N ATOM 29 CA HIS A 3 -7.164 9.574 7.673 1.00 0.00 C ATOM 30 C HIS A 3 -8.014 8.310 7.611 1.00 0.00 C ATOM 31 O HIS A 3 -7.862 7.405 8.432 1.00 0.00 O ATOM 32 CB HIS A 3 -6.541 9.719 9.064 1.00 0.00 C ATOM 33 CG HIS A 3 -5.197 10.379 9.052 1.00 0.00 C ATOM 34 ND1 HIS A 3 -4.977 11.629 8.514 1.00 0.00 N ATOM 35 CD2 HIS A 3 -3.998 9.955 9.518 1.00 0.00 C ATOM 36 CE1 HIS A 3 -3.701 11.946 8.648 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.086 10.947 9.254 1.00 0.00 N ATOM 0 HA HIS A 3 -6.368 9.490 6.933 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.215 10.297 9.696 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.448 8.732 9.516 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.797 9.013 10.006 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -3.240 12.865 8.318 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -2.094 10.917 9.488 1.00 0.00 H new ATOM 46 N SER A 4 -8.910 8.255 6.631 1.00 0.00 N ATOM 47 CA SER A 4 -9.786 7.101 6.459 1.00 0.00 C ATOM 48 C SER A 4 -10.729 7.300 5.275 1.00 0.00 C ATOM 49 O SER A 4 -11.392 8.332 5.165 1.00 0.00 O ATOM 50 CB SER A 4 -10.598 6.854 7.732 1.00 0.00 C ATOM 51 OG SER A 4 -11.296 8.023 8.128 1.00 0.00 O ATOM 0 H SER A 4 -9.049 8.996 5.944 1.00 0.00 H new ATOM 0 HA SER A 4 -9.159 6.232 6.260 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.307 6.043 7.563 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.933 6.534 8.535 1.00 0.00 H new ATOM 0 HG SER A 4 -11.581 8.519 7.332 1.00 0.00 H new ATOM 57 N GLY A 5 -10.792 6.304 4.397 1.00 0.00 N ATOM 58 CA GLY A 5 -11.663 6.385 3.241 1.00 0.00 C ATOM 59 C GLY A 5 -12.194 5.026 2.844 1.00 0.00 C ATOM 60 O GLY A 5 -11.623 4.003 3.214 1.00 0.00 O ATOM 0 H GLY A 5 -10.254 5.441 4.467 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.497 7.052 3.460 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.117 6.821 2.404 1.00 0.00 H new ATOM 64 N ALA A 6 -13.287 5.005 2.091 1.00 0.00 N ATOM 65 CA ALA A 6 -13.877 3.746 1.659 1.00 0.00 C ATOM 66 C ALA A 6 -13.002 3.078 0.606 1.00 0.00 C ATOM 67 O ALA A 6 -12.965 3.502 -0.549 1.00 0.00 O ATOM 68 CB ALA A 6 -15.283 3.975 1.129 1.00 0.00 C ATOM 0 H ALA A 6 -13.779 5.839 1.769 1.00 0.00 H new ATOM 0 HA ALA A 6 -13.940 3.079 2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -15.711 3.025 0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -15.903 4.406 1.915 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -15.245 4.659 0.281 1.00 0.00 H new ATOM 74 N ALA A 7 -12.289 2.036 1.022 1.00 0.00 N ATOM 75 CA ALA A 7 -11.397 1.310 0.124 1.00 0.00 C ATOM 76 C ALA A 7 -11.921 -0.093 -0.169 1.00 0.00 C ATOM 77 O ALA A 7 -12.610 -0.694 0.655 1.00 0.00 O ATOM 78 CB ALA A 7 -10.000 1.235 0.723 1.00 0.00 C ATOM 0 H ALA A 7 -12.311 1.675 1.976 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.355 1.854 -0.820 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.342 0.691 0.045 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.614 2.243 0.873 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.042 0.717 1.681 1.00 0.00 H new ATOM 84 N ILE A 8 -11.580 -0.610 -1.346 1.00 0.00 N ATOM 85 CA ILE A 8 -12.007 -1.946 -1.749 1.00 0.00 C ATOM 86 C ILE A 8 -10.878 -2.954 -1.570 1.00 0.00 C ATOM 87 O ILE A 8 -9.708 -2.629 -1.766 1.00 0.00 O ATOM 88 CB ILE A 8 -12.473 -1.977 -3.220 1.00 0.00 C ATOM 89 CG1 ILE A 8 -13.404 -0.796 -3.546 1.00 0.00 C ATOM 90 CG2 ILE A 8 -13.163 -3.298 -3.529 1.00 0.00 C ATOM 91 CD1 ILE A 8 -14.363 -0.412 -2.437 1.00 0.00 C ATOM 0 H ILE A 8 -11.009 -0.124 -2.037 1.00 0.00 H new ATOM 0 HA ILE A 8 -12.846 -2.214 -1.107 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.588 -1.883 -3.850 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.793 0.072 -3.794 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.982 -1.043 -4.436 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.486 -3.305 -4.570 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -12.468 -4.120 -3.359 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -14.030 -3.416 -2.879 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.976 0.429 -2.761 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -15.006 -1.260 -2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.798 -0.128 -1.549 1.00 0.00 H new ATOM 103 N PHE A 9 -11.235 -4.180 -1.201 1.00 0.00 N ATOM 104 CA PHE A 9 -10.248 -5.232 -1.000 1.00 0.00 C ATOM 105 C PHE A 9 -10.776 -6.566 -1.510 1.00 0.00 C ATOM 106 O PHE A 9 -11.933 -6.909 -1.285 1.00 0.00 O ATOM 107 CB PHE A 9 -9.883 -5.346 0.481 1.00 0.00 C ATOM 108 CG PHE A 9 -8.669 -6.191 0.737 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.519 -6.021 -0.016 1.00 0.00 C ATOM 110 CD2 PHE A 9 -8.677 -7.157 1.731 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.399 -6.797 0.218 1.00 0.00 C ATOM 112 CE2 PHE A 9 -7.562 -7.936 1.969 1.00 0.00 C ATOM 113 CZ PHE A 9 -6.421 -7.756 1.212 1.00 0.00 C ATOM 0 H PHE A 9 -12.199 -4.468 -1.036 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.353 -4.972 -1.564 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.711 -4.347 0.882 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.729 -5.767 1.024 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.497 -5.273 -0.795 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.566 -7.302 2.327 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.508 -6.654 -0.375 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.582 -8.685 2.746 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.548 -8.364 1.397 1.00 0.00 H new ATOM 123 N GLU A 10 -9.925 -7.314 -2.202 1.00 0.00 N ATOM 124 CA GLU A 10 -10.317 -8.611 -2.744 1.00 0.00 C ATOM 125 C GLU A 10 -11.609 -8.503 -3.550 1.00 0.00 C ATOM 126 O GLU A 10 -12.379 -9.460 -3.632 1.00 0.00 O ATOM 127 CB GLU A 10 -10.491 -9.626 -1.614 1.00 0.00 C ATOM 128 CG GLU A 10 -9.212 -10.367 -1.258 1.00 0.00 C ATOM 129 CD GLU A 10 -8.993 -11.595 -2.120 1.00 0.00 C ATOM 130 OE1 GLU A 10 -9.059 -11.470 -3.360 1.00 0.00 O ATOM 131 OE2 GLU A 10 -8.754 -12.682 -1.553 1.00 0.00 O ATOM 0 H GLU A 10 -8.961 -7.046 -2.401 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.525 -8.950 -3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.861 -9.110 -0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.253 -10.351 -1.902 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.363 -9.693 -1.369 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.248 -10.664 -0.210 1.00 0.00 H new ATOM 138 N LYS A 11 -11.839 -7.329 -4.142 1.00 0.00 N ATOM 139 CA LYS A 11 -13.034 -7.079 -4.950 1.00 0.00 C ATOM 140 C LYS A 11 -14.235 -6.705 -4.081 1.00 0.00 C ATOM 141 O LYS A 11 -15.314 -6.418 -4.600 1.00 0.00 O ATOM 142 CB LYS A 11 -13.379 -8.295 -5.819 1.00 0.00 C ATOM 143 CG LYS A 11 -12.165 -8.947 -6.465 1.00 0.00 C ATOM 144 CD LYS A 11 -12.112 -10.440 -6.179 1.00 0.00 C ATOM 145 CE LYS A 11 -11.609 -11.219 -7.383 1.00 0.00 C ATOM 146 NZ LYS A 11 -10.851 -12.436 -6.980 1.00 0.00 N ATOM 0 H LYS A 11 -11.208 -6.531 -4.076 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.806 -6.235 -5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.895 -9.034 -5.206 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.074 -7.987 -6.600 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.194 -8.783 -7.542 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.256 -8.473 -6.094 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.460 -10.625 -5.326 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.105 -10.795 -5.904 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.454 -11.508 -8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.970 -10.577 -7.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.525 -12.939 -7.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.030 -12.159 -6.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.468 -13.061 -6.423 1.00 0.00 H new ATOM 160 N VAL A 12 -14.049 -6.696 -2.763 1.00 0.00 N ATOM 161 CA VAL A 12 -15.126 -6.343 -1.851 1.00 0.00 C ATOM 162 C VAL A 12 -14.907 -4.954 -1.274 1.00 0.00 C ATOM 163 O VAL A 12 -13.805 -4.612 -0.847 1.00 0.00 O ATOM 164 CB VAL A 12 -15.269 -7.372 -0.708 1.00 0.00 C ATOM 165 CG1 VAL A 12 -14.086 -7.334 0.250 1.00 0.00 C ATOM 166 CG2 VAL A 12 -16.575 -7.158 0.041 1.00 0.00 C ATOM 0 H VAL A 12 -13.166 -6.928 -2.308 1.00 0.00 H new ATOM 0 HA VAL A 12 -16.051 -6.349 -2.427 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.282 -8.363 -1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.231 -8.074 1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.169 -7.558 -0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.010 -6.342 0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.659 -7.892 0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.591 -6.154 0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -17.412 -7.275 -0.647 1.00 0.00 H new ATOM 176 N SER A 13 -15.956 -4.146 -1.278 1.00 0.00 N ATOM 177 CA SER A 13 -15.857 -2.792 -0.764 1.00 0.00 C ATOM 178 C SER A 13 -15.789 -2.791 0.757 1.00 0.00 C ATOM 179 O SER A 13 -16.229 -3.735 1.412 1.00 0.00 O ATOM 180 CB SER A 13 -17.044 -1.951 -1.227 1.00 0.00 C ATOM 181 OG SER A 13 -17.410 -2.271 -2.558 1.00 0.00 O ATOM 0 H SER A 13 -16.879 -4.403 -1.629 1.00 0.00 H new ATOM 0 HA SER A 13 -14.939 -2.355 -1.156 1.00 0.00 H new ATOM 0 HB2 SER A 13 -17.892 -2.118 -0.563 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.791 -0.893 -1.161 1.00 0.00 H new ATOM 0 HG SER A 13 -18.173 -1.719 -2.829 1.00 0.00 H new ATOM 187 N GLY A 14 -15.238 -1.720 1.310 1.00 0.00 N ATOM 188 CA GLY A 14 -15.123 -1.603 2.748 1.00 0.00 C ATOM 189 C GLY A 14 -14.734 -0.204 3.173 1.00 0.00 C ATOM 190 O GLY A 14 -15.044 0.768 2.485 1.00 0.00 O ATOM 0 H GLY A 14 -14.867 -0.928 0.786 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.073 -1.872 3.211 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.379 -2.312 3.111 1.00 0.00 H new ATOM 194 N ILE A 15 -14.051 -0.100 4.303 1.00 0.00 N ATOM 195 CA ILE A 15 -13.618 1.193 4.810 1.00 0.00 C ATOM 196 C ILE A 15 -12.174 1.138 5.271 1.00 0.00 C ATOM 197 O ILE A 15 -11.830 0.382 6.173 1.00 0.00 O ATOM 198 CB ILE A 15 -14.484 1.662 5.993 1.00 0.00 C ATOM 199 CG1 ILE A 15 -15.959 1.327 5.747 1.00 0.00 C ATOM 200 CG2 ILE A 15 -14.291 3.154 6.233 1.00 0.00 C ATOM 201 CD1 ILE A 15 -16.609 2.156 4.662 1.00 0.00 C ATOM 0 H ILE A 15 -13.785 -0.894 4.885 1.00 0.00 H new ATOM 0 HA ILE A 15 -13.722 1.899 3.986 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.166 1.131 6.891 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -16.042 0.273 5.482 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -16.512 1.467 6.676 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -14.910 3.471 7.073 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.244 3.354 6.459 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.581 3.707 5.340 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -17.651 1.857 4.551 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -16.561 3.211 4.932 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -16.084 1.999 3.720 1.00 0.00 H new ATOM 213 N ILE A 16 -11.337 1.961 4.665 1.00 0.00 N ATOM 214 CA ILE A 16 -9.936 2.016 5.035 1.00 0.00 C ATOM 215 C ILE A 16 -9.719 3.160 6.011 1.00 0.00 C ATOM 216 O ILE A 16 -10.052 4.307 5.721 1.00 0.00 O ATOM 217 CB ILE A 16 -9.029 2.160 3.786 1.00 0.00 C ATOM 218 CG1 ILE A 16 -8.404 0.808 3.446 1.00 0.00 C ATOM 219 CG2 ILE A 16 -7.938 3.204 3.976 1.00 0.00 C ATOM 220 CD1 ILE A 16 -7.461 0.852 2.261 1.00 0.00 C ATOM 0 H ILE A 16 -11.604 2.599 3.915 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.660 1.080 5.520 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.658 2.499 2.963 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.862 0.439 4.317 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.199 0.092 3.239 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.331 3.265 3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.393 4.174 4.174 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.307 2.921 4.818 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.057 -0.144 2.080 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.003 1.190 1.377 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.644 1.542 2.471 1.00 0.00 H new ATOM 232 N ALA A 17 -9.186 2.840 7.175 1.00 0.00 N ATOM 233 CA ALA A 17 -8.959 3.848 8.198 1.00 0.00 C ATOM 234 C ALA A 17 -7.633 3.629 8.917 1.00 0.00 C ATOM 235 O ALA A 17 -7.310 2.513 9.324 1.00 0.00 O ATOM 236 CB ALA A 17 -10.120 3.850 9.182 1.00 0.00 C ATOM 0 H ALA A 17 -8.903 1.896 7.437 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.902 4.823 7.714 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.947 4.606 9.947 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.046 4.075 8.652 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.200 2.870 9.652 1.00 0.00 H new ATOM 242 N ILE A 18 -6.867 4.705 9.064 1.00 0.00 N ATOM 243 CA ILE A 18 -5.570 4.640 9.727 1.00 0.00 C ATOM 244 C ILE A 18 -5.703 4.827 11.235 1.00 0.00 C ATOM 245 O ILE A 18 -6.226 5.838 11.704 1.00 0.00 O ATOM 246 CB ILE A 18 -4.606 5.709 9.169 1.00 0.00 C ATOM 247 CG1 ILE A 18 -4.517 5.601 7.646 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.225 5.565 9.794 1.00 0.00 C ATOM 249 CD1 ILE A 18 -5.560 6.420 6.917 1.00 0.00 C ATOM 0 H ILE A 18 -7.123 5.635 8.732 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.164 3.648 9.528 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.997 6.693 9.426 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.526 5.922 7.325 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.622 4.555 7.358 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.560 6.327 9.388 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.300 5.688 10.874 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.825 4.577 9.568 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.435 6.294 5.842 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.555 6.084 7.209 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.442 7.472 7.175 1.00 0.00 H new ATOM 261 N ASN A 19 -5.221 3.844 11.989 1.00 0.00 N ATOM 262 CA ASN A 19 -5.276 3.894 13.446 1.00 0.00 C ATOM 263 C ASN A 19 -4.066 4.633 14.007 1.00 0.00 C ATOM 264 O ASN A 19 -3.012 4.039 14.231 1.00 0.00 O ATOM 265 CB ASN A 19 -5.337 2.479 14.023 1.00 0.00 C ATOM 266 CG ASN A 19 -6.209 2.398 15.261 1.00 0.00 C ATOM 267 OD1 ASN A 19 -5.677 2.849 16.391 1.00 0.00 O flip ATOM 268 ND2 ASN A 19 -7.348 1.935 15.203 1.00 0.00 N flip ATOM 0 H ASN A 19 -4.787 3.001 11.614 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.177 4.435 13.735 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.722 1.797 13.265 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.329 2.146 14.269 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.717 1.600 14.313 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.922 1.887 16.045 1.00 0.00 H new ATOM 275 N GLU A 20 -4.228 5.933 14.234 1.00 0.00 N ATOM 276 CA GLU A 20 -3.149 6.753 14.772 1.00 0.00 C ATOM 277 C GLU A 20 -3.258 6.873 16.289 1.00 0.00 C ATOM 278 O GLU A 20 -2.764 7.831 16.882 1.00 0.00 O ATOM 279 CB GLU A 20 -3.169 8.144 14.135 1.00 0.00 C ATOM 280 CG GLU A 20 -2.774 8.146 12.667 1.00 0.00 C ATOM 281 CD GLU A 20 -1.996 9.386 12.276 1.00 0.00 C ATOM 282 OE1 GLU A 20 -2.591 10.484 12.271 1.00 0.00 O ATOM 283 OE2 GLU A 20 -0.791 9.260 11.972 1.00 0.00 O ATOM 0 H GLU A 20 -5.095 6.440 14.054 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.204 6.265 14.532 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.169 8.566 14.234 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.492 8.797 14.686 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.173 7.262 12.455 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.672 8.076 12.053 1.00 0.00 H new ATOM 290 N ASP A 21 -3.903 5.892 16.911 1.00 0.00 N ATOM 291 CA ASP A 21 -4.070 5.883 18.358 1.00 0.00 C ATOM 292 C ASP A 21 -3.103 4.898 19.012 1.00 0.00 C ATOM 293 O ASP A 21 -2.983 4.855 20.236 1.00 0.00 O ATOM 294 CB ASP A 21 -5.510 5.522 18.725 1.00 0.00 C ATOM 295 CG ASP A 21 -6.411 6.738 18.799 1.00 0.00 C ATOM 296 OD1 ASP A 21 -6.460 7.502 17.812 1.00 0.00 O ATOM 297 OD2 ASP A 21 -7.067 6.929 19.845 1.00 0.00 O ATOM 0 H ASP A 21 -4.319 5.092 16.434 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.848 6.883 18.730 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.906 4.825 17.987 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.519 5.008 19.686 1.00 0.00 H new ATOM 302 N VAL A 22 -2.413 4.109 18.190 1.00 0.00 N ATOM 303 CA VAL A 22 -1.458 3.131 18.697 1.00 0.00 C ATOM 304 C VAL A 22 -0.026 3.617 18.502 1.00 0.00 C ATOM 305 O VAL A 22 0.198 4.732 18.031 1.00 0.00 O ATOM 306 CB VAL A 22 -1.627 1.767 17.999 1.00 0.00 C ATOM 307 CG1 VAL A 22 -3.048 1.252 18.170 1.00 0.00 C ATOM 308 CG2 VAL A 22 -1.265 1.871 16.523 1.00 0.00 C ATOM 0 H VAL A 22 -2.498 4.129 17.174 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.658 3.011 19.762 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.947 1.055 18.467 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.148 0.288 17.671 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.268 1.135 19.231 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.748 1.963 17.731 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.391 0.898 16.048 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.917 2.598 16.039 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.228 2.191 16.424 1.00 0.00 H new ATOM 318 N SER A 23 0.943 2.774 18.851 1.00 0.00 N ATOM 319 CA SER A 23 2.344 3.137 18.690 1.00 0.00 C ATOM 320 C SER A 23 2.667 3.284 17.205 1.00 0.00 C ATOM 321 O SER A 23 2.918 4.391 16.731 1.00 0.00 O ATOM 322 CB SER A 23 3.258 2.101 19.349 1.00 0.00 C ATOM 323 OG SER A 23 3.814 2.605 20.551 1.00 0.00 O ATOM 0 H SER A 23 0.784 1.846 19.243 1.00 0.00 H new ATOM 0 HA SER A 23 2.520 4.091 19.186 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.693 1.193 19.559 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.058 1.827 18.661 1.00 0.00 H new ATOM 0 HG SER A 23 4.393 1.925 20.954 1.00 0.00 H new ATOM 329 N PRO A 24 2.636 2.178 16.435 1.00 0.00 N ATOM 330 CA PRO A 24 2.893 2.217 15.006 1.00 0.00 C ATOM 331 C PRO A 24 1.606 2.429 14.224 1.00 0.00 C ATOM 332 O PRO A 24 0.754 1.542 14.163 1.00 0.00 O ATOM 333 CB PRO A 24 3.449 0.830 14.739 1.00 0.00 C ATOM 334 CG PRO A 24 2.692 -0.052 15.678 1.00 0.00 C ATOM 335 CD PRO A 24 2.321 0.802 16.875 1.00 0.00 C ATOM 0 HA PRO A 24 3.558 3.028 14.709 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.296 0.532 13.702 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.522 0.787 14.929 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.800 -0.453 15.197 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.300 -0.904 15.984 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.267 0.695 17.132 1.00 0.00 H new ATOM 0 HD3 PRO A 24 2.894 0.523 17.759 1.00 0.00 H new ATOM 343 N ALA A 25 1.460 3.606 13.639 1.00 0.00 N ATOM 344 CA ALA A 25 0.260 3.929 12.875 1.00 0.00 C ATOM 345 C ALA A 25 -0.063 2.827 11.870 1.00 0.00 C ATOM 346 O ALA A 25 0.712 2.558 10.953 1.00 0.00 O ATOM 347 CB ALA A 25 0.421 5.269 12.175 1.00 0.00 C ATOM 0 H ALA A 25 2.153 4.353 13.676 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.577 4.002 13.570 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.483 5.495 11.609 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.589 6.049 12.917 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.272 5.225 11.496 1.00 0.00 H new ATOM 353 N GLU A 26 -1.211 2.184 12.061 1.00 0.00 N ATOM 354 CA GLU A 26 -1.642 1.102 11.183 1.00 0.00 C ATOM 355 C GLU A 26 -2.849 1.521 10.347 1.00 0.00 C ATOM 356 O GLU A 26 -3.505 2.520 10.637 1.00 0.00 O ATOM 357 CB GLU A 26 -1.992 -0.135 12.012 1.00 0.00 C ATOM 358 CG GLU A 26 -3.011 0.135 13.107 1.00 0.00 C ATOM 359 CD GLU A 26 -3.456 -1.131 13.814 1.00 0.00 C ATOM 360 OE1 GLU A 26 -2.746 -1.573 14.741 1.00 0.00 O ATOM 361 OE2 GLU A 26 -4.513 -1.679 13.440 1.00 0.00 O ATOM 0 H GLU A 26 -1.861 2.395 12.818 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.821 0.866 10.506 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.380 -0.909 11.349 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.082 -0.529 12.464 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.582 0.822 13.836 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.881 0.630 12.675 1.00 0.00 H new ATOM 368 N LEU A 27 -3.144 0.733 9.320 1.00 0.00 N ATOM 369 CA LEU A 27 -4.276 0.989 8.443 1.00 0.00 C ATOM 370 C LEU A 27 -5.268 -0.165 8.554 1.00 0.00 C ATOM 371 O LEU A 27 -4.980 -1.283 8.127 1.00 0.00 O ATOM 372 CB LEU A 27 -3.799 1.147 6.996 1.00 0.00 C ATOM 373 CG LEU A 27 -4.910 1.314 5.955 1.00 0.00 C ATOM 374 CD1 LEU A 27 -4.718 2.601 5.169 1.00 0.00 C ATOM 375 CD2 LEU A 27 -4.948 0.119 5.012 1.00 0.00 C ATOM 0 H LEU A 27 -2.606 -0.098 9.074 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.767 1.915 8.743 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.139 2.013 6.941 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.203 0.274 6.730 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.863 1.368 6.481 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.517 2.701 4.435 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.743 3.451 5.851 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.756 2.575 4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.744 0.258 4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.992 0.032 4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.135 -0.790 5.584 1.00 0.00 H new ATOM 387 N THR A 28 -6.421 0.100 9.157 1.00 0.00 N ATOM 388 CA THR A 28 -7.431 -0.937 9.354 1.00 0.00 C ATOM 389 C THR A 28 -8.589 -0.816 8.368 1.00 0.00 C ATOM 390 O THR A 28 -9.367 0.136 8.419 1.00 0.00 O ATOM 391 CB THR A 28 -7.969 -0.878 10.783 1.00 0.00 C ATOM 392 OG1 THR A 28 -6.936 -0.554 11.696 1.00 0.00 O ATOM 393 CG2 THR A 28 -8.595 -2.177 11.241 1.00 0.00 C ATOM 0 H THR A 28 -6.681 1.018 9.517 1.00 0.00 H new ATOM 0 HA THR A 28 -6.945 -1.896 9.175 1.00 0.00 H new ATOM 0 HB THR A 28 -8.739 -0.107 10.769 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.301 -0.520 12.605 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.956 -2.066 12.263 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.429 -2.429 10.587 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.851 -2.973 11.203 1.00 0.00 H new ATOM 401 N TRP A 29 -8.709 -1.807 7.488 1.00 0.00 N ATOM 402 CA TRP A 29 -9.778 -1.838 6.511 1.00 0.00 C ATOM 403 C TRP A 29 -10.994 -2.560 7.080 1.00 0.00 C ATOM 404 O TRP A 29 -10.973 -3.775 7.269 1.00 0.00 O ATOM 405 CB TRP A 29 -9.311 -2.549 5.241 1.00 0.00 C ATOM 406 CG TRP A 29 -10.414 -2.771 4.254 1.00 0.00 C ATOM 407 CD1 TRP A 29 -11.007 -1.825 3.482 1.00 0.00 C ATOM 408 CD2 TRP A 29 -11.063 -4.009 3.951 1.00 0.00 C ATOM 409 NE1 TRP A 29 -11.981 -2.397 2.694 1.00 0.00 N ATOM 410 CE2 TRP A 29 -12.036 -3.741 2.967 1.00 0.00 C ATOM 411 CE3 TRP A 29 -10.913 -5.320 4.413 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -12.853 -4.741 2.439 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -11.725 -6.307 3.889 1.00 0.00 C ATOM 414 CH2 TRP A 29 -12.682 -6.013 2.913 1.00 0.00 C ATOM 0 H TRP A 29 -8.071 -2.601 7.437 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.053 -0.812 6.268 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.523 -1.960 4.771 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -8.873 -3.510 5.510 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -10.752 -0.776 3.485 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -12.565 -1.903 2.019 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.176 -5.557 5.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -13.593 -4.519 1.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -11.619 -7.323 4.239 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -13.301 -6.808 2.524 1.00 0.00 H new ATOM 425 N ARG A 30 -12.055 -1.810 7.338 1.00 0.00 N ATOM 426 CA ARG A 30 -13.283 -2.385 7.871 1.00 0.00 C ATOM 427 C ARG A 30 -14.366 -2.386 6.800 1.00 0.00 C ATOM 428 O ARG A 30 -14.808 -1.329 6.356 1.00 0.00 O ATOM 429 CB ARG A 30 -13.755 -1.599 9.096 1.00 0.00 C ATOM 430 CG ARG A 30 -14.392 -2.468 10.168 1.00 0.00 C ATOM 431 CD ARG A 30 -14.295 -1.820 11.539 1.00 0.00 C ATOM 432 NE ARG A 30 -12.928 -1.415 11.858 1.00 0.00 N ATOM 433 CZ ARG A 30 -12.610 -0.604 12.865 1.00 0.00 C ATOM 434 NH1 ARG A 30 -13.558 -0.111 13.653 1.00 0.00 N ATOM 435 NH2 ARG A 30 -11.342 -0.286 13.086 1.00 0.00 N ATOM 0 H ARG A 30 -12.091 -0.802 7.187 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.083 -3.413 8.175 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.905 -1.069 9.527 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.474 -0.844 8.778 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -15.439 -2.644 9.921 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.901 -3.441 10.189 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -14.949 -0.949 11.575 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -14.652 -2.518 12.296 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.172 -1.775 11.275 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -14.535 -0.353 13.488 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.309 0.510 14.423 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.609 -0.663 12.484 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.099 0.335 13.858 1.00 0.00 H new ATOM 449 N SER A 31 -14.784 -3.577 6.381 1.00 0.00 N ATOM 450 CA SER A 31 -15.808 -3.709 5.348 1.00 0.00 C ATOM 451 C SER A 31 -16.993 -2.787 5.622 1.00 0.00 C ATOM 452 O SER A 31 -17.157 -2.285 6.734 1.00 0.00 O ATOM 453 CB SER A 31 -16.286 -5.159 5.255 1.00 0.00 C ATOM 454 OG SER A 31 -16.888 -5.577 6.468 1.00 0.00 O ATOM 0 H SER A 31 -14.430 -4.464 6.740 1.00 0.00 H new ATOM 0 HA SER A 31 -15.362 -3.417 4.397 1.00 0.00 H new ATOM 0 HB2 SER A 31 -17.001 -5.258 4.438 1.00 0.00 H new ATOM 0 HB3 SER A 31 -15.443 -5.809 5.021 1.00 0.00 H new ATOM 0 HG SER A 31 -16.203 -5.647 7.166 1.00 0.00 H new ATOM 460 N THR A 32 -17.815 -2.574 4.602 1.00 0.00 N ATOM 461 CA THR A 32 -18.983 -1.721 4.728 1.00 0.00 C ATOM 462 C THR A 32 -20.051 -2.429 5.536 1.00 0.00 C ATOM 463 O THR A 32 -20.718 -1.833 6.382 1.00 0.00 O ATOM 464 CB THR A 32 -19.528 -1.359 3.349 1.00 0.00 C ATOM 465 OG1 THR A 32 -18.729 -1.924 2.324 1.00 0.00 O ATOM 466 CG2 THR A 32 -19.598 0.132 3.105 1.00 0.00 C ATOM 0 H THR A 32 -17.691 -2.983 3.676 1.00 0.00 H new ATOM 0 HA THR A 32 -18.694 -0.803 5.241 1.00 0.00 H new ATOM 0 HB THR A 32 -20.540 -1.764 3.327 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.965 -2.868 2.208 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.994 0.319 2.107 1.00 0.00 H new ATOM 0 HG22 THR A 32 -20.251 0.592 3.847 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.599 0.561 3.186 1.00 0.00 H new ATOM 474 N ASP A 33 -20.198 -3.712 5.259 1.00 0.00 N ATOM 475 CA ASP A 33 -21.177 -4.536 5.944 1.00 0.00 C ATOM 476 C ASP A 33 -20.632 -5.043 7.272 1.00 0.00 C ATOM 477 O ASP A 33 -21.368 -5.180 8.249 1.00 0.00 O ATOM 478 CB ASP A 33 -21.596 -5.714 5.062 1.00 0.00 C ATOM 479 CG ASP A 33 -23.065 -6.057 5.216 1.00 0.00 C ATOM 480 OD1 ASP A 33 -23.620 -5.818 6.309 1.00 0.00 O ATOM 481 OD2 ASP A 33 -23.660 -6.566 4.243 1.00 0.00 O ATOM 0 H ASP A 33 -19.647 -4.209 4.559 1.00 0.00 H new ATOM 0 HA ASP A 33 -22.052 -3.919 6.147 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -21.389 -5.475 4.019 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -20.993 -6.586 5.315 1.00 0.00 H new ATOM 486 N GLY A 34 -19.336 -5.318 7.298 1.00 0.00 N ATOM 487 CA GLY A 34 -18.704 -5.807 8.508 1.00 0.00 C ATOM 488 C GLY A 34 -18.394 -7.289 8.440 1.00 0.00 C ATOM 489 O GLY A 34 -18.303 -7.959 9.469 1.00 0.00 O ATOM 0 H GLY A 34 -18.709 -5.211 6.501 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.781 -5.253 8.682 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.357 -5.614 9.359 1.00 0.00 H new ATOM 493 N ASP A 35 -18.232 -7.801 7.225 1.00 0.00 N ATOM 494 CA ASP A 35 -17.932 -9.213 7.025 1.00 0.00 C ATOM 495 C ASP A 35 -16.462 -9.418 6.670 1.00 0.00 C ATOM 496 O ASP A 35 -15.936 -10.525 6.789 1.00 0.00 O ATOM 497 CB ASP A 35 -18.820 -9.794 5.924 1.00 0.00 C ATOM 498 CG ASP A 35 -19.242 -11.221 6.215 1.00 0.00 C ATOM 499 OD1 ASP A 35 -20.173 -11.412 7.025 1.00 0.00 O ATOM 500 OD2 ASP A 35 -18.642 -12.148 5.632 1.00 0.00 O ATOM 0 H ASP A 35 -18.303 -7.259 6.364 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.135 -9.735 7.960 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -19.708 -9.171 5.810 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -18.285 -9.763 4.975 1.00 0.00 H new ATOM 505 N LYS A 36 -15.803 -8.350 6.232 1.00 0.00 N ATOM 506 CA LYS A 36 -14.395 -8.425 5.862 1.00 0.00 C ATOM 507 C LYS A 36 -13.582 -7.356 6.581 1.00 0.00 C ATOM 508 O LYS A 36 -14.032 -6.220 6.736 1.00 0.00 O ATOM 509 CB LYS A 36 -14.236 -8.276 4.348 1.00 0.00 C ATOM 510 CG LYS A 36 -15.125 -9.219 3.549 1.00 0.00 C ATOM 511 CD LYS A 36 -14.321 -10.027 2.542 1.00 0.00 C ATOM 512 CE LYS A 36 -14.828 -11.457 2.444 1.00 0.00 C ATOM 513 NZ LYS A 36 -16.210 -11.520 1.893 1.00 0.00 N ATOM 0 H LYS A 36 -16.220 -7.425 6.125 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.018 -9.402 6.165 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -14.464 -7.248 4.066 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -13.195 -8.457 4.080 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -15.643 -9.896 4.229 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -15.890 -8.644 3.027 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -14.379 -9.551 1.563 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.271 -10.031 2.833 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.158 -12.037 1.810 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.810 -11.917 3.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -16.519 -12.512 1.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -16.855 -10.988 2.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -16.223 -11.104 0.940 1.00 0.00 H new ATOM 527 N VAL A 37 -12.387 -7.728 7.023 1.00 0.00 N ATOM 528 CA VAL A 37 -11.515 -6.802 7.732 1.00 0.00 C ATOM 529 C VAL A 37 -10.047 -7.038 7.374 1.00 0.00 C ATOM 530 O VAL A 37 -9.672 -8.125 6.936 1.00 0.00 O ATOM 531 CB VAL A 37 -11.718 -6.913 9.264 1.00 0.00 C ATOM 532 CG1 VAL A 37 -10.569 -7.652 9.938 1.00 0.00 C ATOM 533 CG2 VAL A 37 -11.903 -5.534 9.873 1.00 0.00 C ATOM 0 H VAL A 37 -12.000 -8.664 6.903 1.00 0.00 H new ATOM 0 HA VAL A 37 -11.784 -5.793 7.419 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.621 -7.498 9.436 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.752 -7.707 11.011 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.496 -8.660 9.530 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.636 -7.118 9.756 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.045 -5.628 10.950 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.020 -4.927 9.675 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.778 -5.056 9.432 1.00 0.00 H new ATOM 543 N HIS A 38 -9.225 -6.013 7.567 1.00 0.00 N ATOM 544 CA HIS A 38 -7.799 -6.103 7.269 1.00 0.00 C ATOM 545 C HIS A 38 -7.021 -5.033 8.028 1.00 0.00 C ATOM 546 O HIS A 38 -7.526 -3.935 8.259 1.00 0.00 O ATOM 547 CB HIS A 38 -7.557 -5.958 5.765 1.00 0.00 C ATOM 548 CG HIS A 38 -6.292 -6.607 5.298 1.00 0.00 C ATOM 549 ND1 HIS A 38 -6.072 -7.967 5.370 1.00 0.00 N ATOM 550 CD2 HIS A 38 -5.174 -6.075 4.747 1.00 0.00 C ATOM 551 CE1 HIS A 38 -4.873 -8.242 4.885 1.00 0.00 C ATOM 552 NE2 HIS A 38 -4.309 -7.112 4.501 1.00 0.00 N ATOM 0 H HIS A 38 -9.522 -5.107 7.930 1.00 0.00 H new ATOM 0 HA HIS A 38 -7.446 -7.083 7.590 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -8.399 -6.392 5.226 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -7.528 -4.899 5.510 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.997 -5.030 4.540 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -4.430 -9.225 4.815 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -3.380 -7.024 4.088 1.00 0.00 H new ATOM 561 N THR A 39 -5.794 -5.358 8.420 1.00 0.00 N ATOM 562 CA THR A 39 -4.958 -4.417 9.159 1.00 0.00 C ATOM 563 C THR A 39 -3.564 -4.314 8.546 1.00 0.00 C ATOM 564 O THR A 39 -2.920 -5.325 8.267 1.00 0.00 O ATOM 565 CB THR A 39 -4.851 -4.843 10.624 1.00 0.00 C ATOM 566 OG1 THR A 39 -6.090 -5.344 11.092 1.00 0.00 O ATOM 567 CG2 THR A 39 -4.432 -3.717 11.545 1.00 0.00 C ATOM 0 H THR A 39 -5.357 -6.262 8.240 1.00 0.00 H new ATOM 0 HA THR A 39 -5.429 -3.436 9.102 1.00 0.00 H new ATOM 0 HB THR A 39 -4.081 -5.614 10.646 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.001 -5.613 12.030 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.375 -4.086 12.569 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.455 -3.342 11.240 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.164 -2.911 11.490 1.00 0.00 H new ATOM 575 N VAL A 40 -3.103 -3.083 8.346 1.00 0.00 N ATOM 576 CA VAL A 40 -1.783 -2.839 7.776 1.00 0.00 C ATOM 577 C VAL A 40 -0.973 -1.926 8.668 1.00 0.00 C ATOM 578 O VAL A 40 -1.459 -0.901 9.130 1.00 0.00 O ATOM 579 CB VAL A 40 -1.876 -2.209 6.374 1.00 0.00 C ATOM 580 CG1 VAL A 40 -0.629 -1.396 6.035 1.00 0.00 C ATOM 581 CG2 VAL A 40 -2.097 -3.292 5.344 1.00 0.00 C ATOM 0 H VAL A 40 -3.626 -2.237 8.571 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.291 -3.808 7.695 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.722 -1.522 6.366 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.734 -0.968 5.038 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.508 -0.594 6.763 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.247 -2.045 6.061 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.162 -2.843 4.353 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.264 -3.994 5.370 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.024 -3.821 5.565 1.00 0.00 H new ATOM 591 N VAL A 41 0.269 -2.288 8.894 1.00 0.00 N ATOM 592 CA VAL A 41 1.133 -1.465 9.720 1.00 0.00 C ATOM 593 C VAL A 41 2.072 -0.624 8.864 1.00 0.00 C ATOM 594 O VAL A 41 3.043 -1.130 8.302 1.00 0.00 O ATOM 595 CB VAL A 41 1.927 -2.300 10.742 1.00 0.00 C ATOM 596 CG1 VAL A 41 2.922 -1.432 11.504 1.00 0.00 C ATOM 597 CG2 VAL A 41 0.964 -2.975 11.703 1.00 0.00 C ATOM 0 H VAL A 41 0.703 -3.134 8.525 1.00 0.00 H new ATOM 0 HA VAL A 41 0.486 -0.793 10.284 1.00 0.00 H new ATOM 0 HB VAL A 41 2.494 -3.061 10.207 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.469 -2.047 12.219 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.623 -0.981 10.802 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.386 -0.646 12.037 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.526 -3.566 12.426 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.382 -2.217 12.228 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.291 -3.627 11.146 1.00 0.00 H new ATOM 607 N LEU A 42 1.767 0.666 8.771 1.00 0.00 N ATOM 608 CA LEU A 42 2.571 1.592 7.983 1.00 0.00 C ATOM 609 C LEU A 42 4.043 1.524 8.387 1.00 0.00 C ATOM 610 O LEU A 42 4.928 1.848 7.594 1.00 0.00 O ATOM 611 CB LEU A 42 2.041 3.020 8.145 1.00 0.00 C ATOM 612 CG LEU A 42 0.746 3.324 7.384 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.893 2.958 5.914 1.00 0.00 C ATOM 614 CD2 LEU A 42 -0.431 2.581 8.005 1.00 0.00 C ATOM 0 H LEU A 42 0.966 1.095 9.234 1.00 0.00 H new ATOM 0 HA LEU A 42 2.495 1.301 6.935 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.874 3.211 9.205 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.811 3.716 7.813 1.00 0.00 H new ATOM 0 HG LEU A 42 0.550 4.394 7.455 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.036 3.180 5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.706 3.536 5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.115 1.895 5.824 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.340 2.811 7.450 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.244 1.508 7.968 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.551 2.892 9.043 1.00 0.00 H new ATOM 626 N SER A 43 4.300 1.095 9.620 1.00 0.00 N ATOM 627 CA SER A 43 5.667 0.979 10.119 1.00 0.00 C ATOM 628 C SER A 43 6.474 0.013 9.261 1.00 0.00 C ATOM 629 O SER A 43 7.680 0.180 9.081 1.00 0.00 O ATOM 630 CB SER A 43 5.666 0.512 11.576 1.00 0.00 C ATOM 631 OG SER A 43 6.868 0.878 12.230 1.00 0.00 O ATOM 0 H SER A 43 3.581 0.823 10.290 1.00 0.00 H new ATOM 0 HA SER A 43 6.133 1.963 10.065 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.816 0.948 12.100 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.543 -0.570 11.614 1.00 0.00 H new ATOM 0 HG SER A 43 6.842 0.569 13.160 1.00 0.00 H new ATOM 637 N THR A 44 5.792 -0.989 8.727 1.00 0.00 N ATOM 638 CA THR A 44 6.430 -1.986 7.874 1.00 0.00 C ATOM 639 C THR A 44 6.263 -1.611 6.412 1.00 0.00 C ATOM 640 O THR A 44 7.125 -1.888 5.579 1.00 0.00 O ATOM 641 CB THR A 44 5.834 -3.376 8.122 1.00 0.00 C ATOM 642 OG1 THR A 44 4.701 -3.593 7.298 1.00 0.00 O ATOM 643 CG2 THR A 44 5.401 -3.596 9.554 1.00 0.00 C ATOM 0 H THR A 44 4.793 -1.135 8.869 1.00 0.00 H new ATOM 0 HA THR A 44 7.492 -2.012 8.119 1.00 0.00 H new ATOM 0 HB THR A 44 6.636 -4.076 7.887 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.033 -2.896 7.470 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.989 -4.599 9.659 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.261 -3.486 10.215 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.641 -2.862 9.821 1.00 0.00 H new ATOM 651 N ILE A 45 5.139 -0.978 6.114 1.00 0.00 N ATOM 652 CA ILE A 45 4.831 -0.552 4.756 1.00 0.00 C ATOM 653 C ILE A 45 6.015 0.174 4.123 1.00 0.00 C ATOM 654 O ILE A 45 6.222 1.366 4.353 1.00 0.00 O ATOM 655 CB ILE A 45 3.586 0.363 4.724 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.345 -0.419 5.161 1.00 0.00 C ATOM 657 CG2 ILE A 45 3.377 0.951 3.334 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.126 -1.697 4.379 1.00 0.00 C ATOM 0 H ILE A 45 4.420 -0.746 6.799 1.00 0.00 H new ATOM 0 HA ILE A 45 4.620 -1.452 4.179 1.00 0.00 H new ATOM 0 HB ILE A 45 3.749 1.186 5.420 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.433 -0.662 6.220 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.467 0.218 5.052 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.495 1.591 3.339 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.250 1.539 3.053 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.236 0.144 2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.229 -2.198 4.744 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.005 -1.461 3.322 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.986 -2.354 4.508 1.00 0.00 H new ATOM 670 N ASP A 46 6.789 -0.555 3.326 1.00 0.00 N ATOM 671 CA ASP A 46 7.953 0.014 2.659 1.00 0.00 C ATOM 672 C ASP A 46 7.555 1.202 1.788 1.00 0.00 C ATOM 673 O ASP A 46 8.335 2.136 1.603 1.00 0.00 O ATOM 674 CB ASP A 46 8.648 -1.048 1.805 1.00 0.00 C ATOM 675 CG ASP A 46 10.156 -0.899 1.811 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.649 0.178 1.411 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.847 -1.858 2.217 1.00 0.00 O ATOM 0 H ASP A 46 6.630 -1.543 3.126 1.00 0.00 H new ATOM 0 HA ASP A 46 8.644 0.364 3.426 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.382 -2.038 2.175 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.283 -0.982 0.780 1.00 0.00 H new ATOM 682 N LYS A 47 6.338 1.159 1.254 1.00 0.00 N ATOM 683 CA LYS A 47 5.842 2.231 0.404 1.00 0.00 C ATOM 684 C LYS A 47 4.378 2.008 0.049 1.00 0.00 C ATOM 685 O LYS A 47 3.816 0.949 0.322 1.00 0.00 O ATOM 686 CB LYS A 47 6.678 2.329 -0.875 1.00 0.00 C ATOM 687 CG LYS A 47 7.166 0.989 -1.403 1.00 0.00 C ATOM 688 CD LYS A 47 8.312 1.162 -2.387 1.00 0.00 C ATOM 689 CE LYS A 47 8.959 -0.170 -2.727 1.00 0.00 C ATOM 690 NZ LYS A 47 10.119 -0.006 -3.648 1.00 0.00 N ATOM 0 H LYS A 47 5.679 0.393 1.396 1.00 0.00 H new ATOM 0 HA LYS A 47 5.927 3.166 0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.084 2.817 -1.648 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.540 2.968 -0.684 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.491 0.365 -0.570 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.342 0.467 -1.890 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.943 1.632 -3.299 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.059 1.833 -1.963 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.290 -0.657 -1.810 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.220 -0.825 -3.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.532 -0.938 -3.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.799 0.436 -4.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.836 0.599 -3.199 1.00 0.00 H new ATOM 704 N LEU A 48 3.769 3.013 -0.569 1.00 0.00 N ATOM 705 CA LEU A 48 2.371 2.927 -0.972 1.00 0.00 C ATOM 706 C LEU A 48 2.190 3.461 -2.388 1.00 0.00 C ATOM 707 O LEU A 48 3.059 4.154 -2.915 1.00 0.00 O ATOM 708 CB LEU A 48 1.470 3.679 0.020 1.00 0.00 C ATOM 709 CG LEU A 48 1.463 5.210 -0.091 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.871 5.754 -0.285 1.00 0.00 C ATOM 711 CD2 LEU A 48 0.546 5.661 -1.220 1.00 0.00 C ATOM 0 H LEU A 48 4.222 3.897 -0.802 1.00 0.00 H new ATOM 0 HA LEU A 48 2.074 1.878 -0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.448 3.322 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.777 3.411 1.031 1.00 0.00 H new ATOM 0 HG LEU A 48 1.078 5.614 0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.834 6.841 -0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.491 5.470 0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.298 5.341 -1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.554 6.749 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.896 5.240 -2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.469 5.317 -1.024 1.00 0.00 H new ATOM 723 N GLN A 49 1.065 3.126 -3.007 1.00 0.00 N ATOM 724 CA GLN A 49 0.793 3.570 -4.369 1.00 0.00 C ATOM 725 C GLN A 49 -0.625 4.114 -4.503 1.00 0.00 C ATOM 726 O GLN A 49 -1.492 3.833 -3.675 1.00 0.00 O ATOM 727 CB GLN A 49 1.001 2.418 -5.354 1.00 0.00 C ATOM 728 CG GLN A 49 2.271 1.624 -5.101 1.00 0.00 C ATOM 729 CD GLN A 49 2.620 0.699 -6.251 1.00 0.00 C ATOM 730 OE1 GLN A 49 2.171 0.897 -7.380 1.00 0.00 O ATOM 731 NE2 GLN A 49 3.424 -0.319 -5.969 1.00 0.00 N ATOM 0 H GLN A 49 0.331 2.553 -2.592 1.00 0.00 H new ATOM 0 HA GLN A 49 1.491 4.375 -4.601 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.145 1.745 -5.300 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.028 2.818 -6.368 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.098 2.313 -4.930 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.152 1.037 -4.190 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.773 -0.445 -5.019 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.693 -0.975 -6.702 1.00 0.00 H new ATOM 740 N ALA A 50 -0.850 4.893 -5.556 1.00 0.00 N ATOM 741 CA ALA A 50 -2.158 5.478 -5.811 1.00 0.00 C ATOM 742 C ALA A 50 -2.306 5.863 -7.278 1.00 0.00 C ATOM 743 O ALA A 50 -1.424 6.499 -7.855 1.00 0.00 O ATOM 744 CB ALA A 50 -2.381 6.689 -4.920 1.00 0.00 C ATOM 0 H ALA A 50 -0.140 5.133 -6.248 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.915 4.729 -5.578 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.364 7.114 -5.123 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.326 6.386 -3.874 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.613 7.436 -5.122 1.00 0.00 H new ATOM 847 N MET A 58 -8.938 3.147 -10.957 1.00 0.00 N ATOM 848 CA MET A 58 -8.681 3.672 -9.621 1.00 0.00 C ATOM 849 C MET A 58 -8.374 2.543 -8.642 1.00 0.00 C ATOM 850 O MET A 58 -9.271 1.808 -8.228 1.00 0.00 O ATOM 851 CB MET A 58 -9.884 4.478 -9.125 1.00 0.00 C ATOM 852 CG MET A 58 -10.541 5.324 -10.205 1.00 0.00 C ATOM 853 SD MET A 58 -11.052 6.945 -9.606 1.00 0.00 S ATOM 854 CE MET A 58 -9.466 7.757 -9.436 1.00 0.00 C ATOM 0 HA MET A 58 -7.812 4.327 -9.678 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.624 3.792 -8.713 1.00 0.00 H new ATOM 0 HB3 MET A 58 -9.564 5.128 -8.311 1.00 0.00 H new ATOM 0 HG2 MET A 58 -9.845 5.451 -11.035 1.00 0.00 H new ATOM 0 HG3 MET A 58 -11.410 4.795 -10.596 1.00 0.00 H new ATOM 0 HE1 MET A 58 -9.619 8.804 -9.175 1.00 0.00 H new ATOM 0 HE2 MET A 58 -8.889 7.268 -8.651 1.00 0.00 H new ATOM 0 HE3 MET A 58 -8.922 7.694 -10.378 1.00 0.00 H new ATOM 864 N MET A 59 -7.103 2.412 -8.274 1.00 0.00 N ATOM 865 CA MET A 59 -6.679 1.373 -7.340 1.00 0.00 C ATOM 866 C MET A 59 -5.391 1.773 -6.629 1.00 0.00 C ATOM 867 O MET A 59 -4.477 2.324 -7.243 1.00 0.00 O ATOM 868 CB MET A 59 -6.465 0.042 -8.070 1.00 0.00 C ATOM 869 CG MET A 59 -7.444 -0.209 -9.207 1.00 0.00 C ATOM 870 SD MET A 59 -7.052 -1.699 -10.143 1.00 0.00 S ATOM 871 CE MET A 59 -5.322 -1.417 -10.515 1.00 0.00 C ATOM 0 H MET A 59 -6.349 3.012 -8.608 1.00 0.00 H new ATOM 0 HA MET A 59 -7.470 1.252 -6.600 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.450 0.017 -8.467 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.546 -0.772 -7.350 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.452 -0.294 -8.801 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.442 0.649 -9.879 1.00 0.00 H new ATOM 0 HE1 MET A 59 -5.003 -2.101 -11.301 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.185 -0.389 -10.851 1.00 0.00 H new ATOM 0 HE3 MET A 59 -4.725 -1.589 -9.620 1.00 0.00 H new ATOM 881 N LEU A 60 -5.321 1.483 -5.333 1.00 0.00 N ATOM 882 CA LEU A 60 -4.136 1.808 -4.543 1.00 0.00 C ATOM 883 C LEU A 60 -3.357 0.543 -4.191 1.00 0.00 C ATOM 884 O LEU A 60 -3.890 -0.564 -4.259 1.00 0.00 O ATOM 885 CB LEU A 60 -4.533 2.548 -3.265 1.00 0.00 C ATOM 886 CG LEU A 60 -4.598 4.071 -3.389 1.00 0.00 C ATOM 887 CD1 LEU A 60 -5.673 4.480 -4.386 1.00 0.00 C ATOM 888 CD2 LEU A 60 -4.859 4.706 -2.032 1.00 0.00 C ATOM 0 H LEU A 60 -6.067 1.026 -4.809 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.496 2.455 -5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.508 2.184 -2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.821 2.293 -2.480 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.636 4.428 -3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.705 5.567 -4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.443 4.055 -5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.642 4.111 -4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.902 5.790 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.808 4.343 -1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.055 4.441 -1.346 1.00 0.00 H new ATOM 900 N ARG A 61 -2.094 0.715 -3.811 1.00 0.00 N ATOM 901 CA ARG A 61 -1.244 -0.414 -3.447 1.00 0.00 C ATOM 902 C ARG A 61 -0.430 -0.101 -2.195 1.00 0.00 C ATOM 903 O ARG A 61 -0.053 1.047 -1.959 1.00 0.00 O ATOM 904 CB ARG A 61 -0.306 -0.774 -4.602 1.00 0.00 C ATOM 905 CG ARG A 61 -0.976 -0.736 -5.966 1.00 0.00 C ATOM 906 CD ARG A 61 -0.392 -1.781 -6.902 1.00 0.00 C ATOM 907 NE ARG A 61 0.728 -1.256 -7.680 1.00 0.00 N ATOM 908 CZ ARG A 61 1.598 -2.020 -8.337 1.00 0.00 C ATOM 909 NH1 ARG A 61 1.481 -3.342 -8.312 1.00 0.00 N ATOM 910 NH2 ARG A 61 2.587 -1.461 -9.019 1.00 0.00 N ATOM 0 H ARG A 61 -1.637 1.625 -3.747 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.890 -1.266 -3.237 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.538 -0.084 -4.602 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.098 -1.772 -4.433 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.047 -0.906 -5.852 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.856 0.255 -6.404 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.058 -2.641 -6.322 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.169 -2.135 -7.579 1.00 0.00 H new ATOM 0 HE ARG A 61 0.850 -0.244 -7.722 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.722 -3.777 -7.788 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.150 -3.923 -8.817 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.682 -0.446 -9.040 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.254 -2.046 -9.522 1.00 0.00 H new ATOM 924 N LEU A 62 -0.166 -1.127 -1.393 1.00 0.00 N ATOM 925 CA LEU A 62 0.599 -0.959 -0.161 1.00 0.00 C ATOM 926 C LEU A 62 1.757 -1.951 -0.097 1.00 0.00 C ATOM 927 O LEU A 62 1.547 -3.156 0.037 1.00 0.00 O ATOM 928 CB LEU A 62 -0.320 -1.143 1.054 1.00 0.00 C ATOM 929 CG LEU A 62 -0.167 -0.118 2.194 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.651 1.094 1.769 1.00 0.00 C ATOM 931 CD2 LEU A 62 -1.534 0.325 2.685 1.00 0.00 C ATOM 0 H LEU A 62 -0.470 -2.084 -1.573 1.00 0.00 H new ATOM 0 HA LEU A 62 1.014 0.049 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.353 -1.116 0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.148 -2.138 1.465 1.00 0.00 H new ATOM 0 HG LEU A 62 0.371 -0.610 3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.732 1.789 2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.647 0.772 1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.159 1.589 0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.414 1.049 3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.085 0.784 1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.086 -0.540 3.054 1.00 0.00 H new ATOM 943 N ILE A 63 2.979 -1.435 -0.188 1.00 0.00 N ATOM 944 CA ILE A 63 4.171 -2.274 -0.138 1.00 0.00 C ATOM 945 C ILE A 63 4.621 -2.495 1.300 1.00 0.00 C ATOM 946 O ILE A 63 4.719 -1.550 2.081 1.00 0.00 O ATOM 947 CB ILE A 63 5.331 -1.650 -0.940 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.933 -1.490 -2.404 1.00 0.00 C ATOM 949 CG2 ILE A 63 6.587 -2.505 -0.823 1.00 0.00 C ATOM 950 CD1 ILE A 63 4.539 -2.793 -3.059 1.00 0.00 C ATOM 0 H ILE A 63 3.170 -0.439 -0.297 1.00 0.00 H new ATOM 0 HA ILE A 63 3.907 -3.232 -0.586 1.00 0.00 H new ATOM 0 HB ILE A 63 5.547 -0.665 -0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.101 -0.790 -2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.765 -1.051 -2.954 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.393 -2.047 -1.396 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.882 -2.578 0.224 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.386 -3.503 -1.213 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.267 -2.610 -4.099 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.378 -3.488 -3.020 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.687 -3.222 -2.532 1.00 0.00 H new ATOM 962 N GLY A 64 4.895 -3.750 1.641 1.00 0.00 N ATOM 963 CA GLY A 64 5.334 -4.077 2.986 1.00 0.00 C ATOM 964 C GLY A 64 6.825 -4.338 3.063 1.00 0.00 C ATOM 965 O GLY A 64 7.485 -4.506 2.037 1.00 0.00 O ATOM 0 H GLY A 64 4.821 -4.548 1.009 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.077 -3.258 3.658 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.796 -4.958 3.336 1.00 0.00 H new ATOM 969 N LYS A 65 7.360 -4.376 4.280 1.00 0.00 N ATOM 970 CA LYS A 65 8.784 -4.620 4.478 1.00 0.00 C ATOM 971 C LYS A 65 9.148 -6.049 4.093 1.00 0.00 C ATOM 972 O LYS A 65 8.413 -6.991 4.391 1.00 0.00 O ATOM 973 CB LYS A 65 9.174 -4.354 5.934 1.00 0.00 C ATOM 974 CG LYS A 65 10.436 -3.518 6.084 1.00 0.00 C ATOM 975 CD LYS A 65 10.331 -2.204 5.326 1.00 0.00 C ATOM 976 CE LYS A 65 10.841 -1.037 6.157 1.00 0.00 C ATOM 977 NZ LYS A 65 10.926 0.217 5.361 1.00 0.00 N ATOM 0 H LYS A 65 6.830 -4.241 5.141 1.00 0.00 H new ATOM 0 HA LYS A 65 9.337 -3.937 3.833 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.350 -3.846 6.435 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.317 -5.307 6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.616 -3.316 7.140 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.293 -4.083 5.717 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.903 -2.270 4.401 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.293 -2.026 5.047 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.179 -0.882 7.009 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.825 -1.280 6.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.418 0.947 5.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.452 0.036 4.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.967 0.546 5.128 1.00 0.00 H new ATOM 1007 N ASP A 67 13.036 -8.214 3.151 1.00 0.00 N ATOM 1008 CA ASP A 67 14.274 -8.636 3.795 1.00 0.00 C ATOM 1009 C ASP A 67 15.399 -8.770 2.775 1.00 0.00 C ATOM 1010 O ASP A 67 15.160 -9.085 1.610 1.00 0.00 O ATOM 1011 CB ASP A 67 14.068 -9.965 4.524 1.00 0.00 C ATOM 1012 CG ASP A 67 15.012 -10.134 5.697 1.00 0.00 C ATOM 1013 OD1 ASP A 67 15.100 -9.205 6.528 1.00 0.00 O ATOM 1014 OD2 ASP A 67 15.663 -11.197 5.787 1.00 0.00 O ATOM 0 HA ASP A 67 14.555 -7.873 4.521 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.039 -10.026 4.878 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.213 -10.787 3.823 1.00 0.00 H new ATOM 1019 N GLU A 68 16.628 -8.528 3.221 1.00 0.00 N ATOM 1020 CA GLU A 68 17.791 -8.622 2.345 1.00 0.00 C ATOM 1021 C GLU A 68 18.869 -9.507 2.965 1.00 0.00 C ATOM 1022 O GLU A 68 20.056 -9.184 2.915 1.00 0.00 O ATOM 1023 CB GLU A 68 18.356 -7.229 2.063 1.00 0.00 C ATOM 1024 CG GLU A 68 17.564 -6.451 1.024 1.00 0.00 C ATOM 1025 CD GLU A 68 18.454 -5.689 0.062 1.00 0.00 C ATOM 1026 OE1 GLU A 68 19.619 -5.416 0.420 1.00 0.00 O ATOM 1027 OE2 GLU A 68 17.988 -5.365 -1.050 1.00 0.00 O ATOM 0 H GLU A 68 16.844 -8.266 4.183 1.00 0.00 H new ATOM 0 HA GLU A 68 17.473 -9.074 1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.378 -6.660 2.992 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.387 -7.326 1.724 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.934 -7.140 0.462 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.898 -5.751 1.529 1.00 0.00 H new ATOM 1034 N SER A 69 18.447 -10.623 3.548 1.00 0.00 N ATOM 1035 CA SER A 69 19.376 -11.555 4.177 1.00 0.00 C ATOM 1036 C SER A 69 18.981 -12.999 3.884 1.00 0.00 C ATOM 1037 O SER A 69 19.119 -13.876 4.737 1.00 0.00 O ATOM 1038 CB SER A 69 19.420 -11.322 5.689 1.00 0.00 C ATOM 1039 OG SER A 69 20.734 -11.484 6.192 1.00 0.00 O ATOM 0 H SER A 69 17.468 -10.905 3.598 1.00 0.00 H new ATOM 0 HA SER A 69 20.367 -11.377 3.760 1.00 0.00 H new ATOM 0 HB2 SER A 69 19.062 -10.318 5.916 1.00 0.00 H new ATOM 0 HB3 SER A 69 18.748 -12.020 6.187 1.00 0.00 H new ATOM 0 HG SER A 69 20.735 -11.328 7.160 1.00 0.00 H new ATOM 1045 N LYS A 70 18.488 -13.239 2.673 1.00 0.00 N ATOM 1046 CA LYS A 70 18.072 -14.576 2.268 1.00 0.00 C ATOM 1047 C LYS A 70 18.539 -14.885 0.850 1.00 0.00 C ATOM 1048 O LYS A 70 19.384 -15.757 0.639 1.00 0.00 O ATOM 1049 CB LYS A 70 16.551 -14.709 2.357 1.00 0.00 C ATOM 1050 CG LYS A 70 16.032 -14.823 3.781 1.00 0.00 C ATOM 1051 CD LYS A 70 16.385 -16.169 4.396 1.00 0.00 C ATOM 1052 CE LYS A 70 15.536 -17.287 3.814 1.00 0.00 C ATOM 1053 NZ LYS A 70 16.264 -18.585 3.795 1.00 0.00 N ATOM 0 H LYS A 70 18.367 -12.524 1.955 1.00 0.00 H new ATOM 0 HA LYS A 70 18.532 -15.294 2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 70 16.091 -13.844 1.880 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.238 -15.588 1.794 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.454 -14.022 4.388 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.950 -14.691 3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.440 -16.384 4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.241 -16.126 5.476 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.623 -17.392 4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.236 -17.024 2.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.651 -19.321 3.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.123 -18.493 3.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.528 -18.849 4.766 1.00 0.00 H new ATOM 1067 N LYS A 71 17.985 -14.166 -0.120 1.00 0.00 N ATOM 1068 CA LYS A 71 18.345 -14.364 -1.520 1.00 0.00 C ATOM 1069 C LYS A 71 18.026 -15.786 -1.968 1.00 0.00 C ATOM 1070 O LYS A 71 18.664 -16.744 -1.531 1.00 0.00 O ATOM 1071 CB LYS A 71 19.831 -14.071 -1.732 1.00 0.00 C ATOM 1072 CG LYS A 71 20.149 -12.589 -1.842 1.00 0.00 C ATOM 1073 CD LYS A 71 20.659 -12.029 -0.523 1.00 0.00 C ATOM 1074 CE LYS A 71 22.156 -12.239 -0.371 1.00 0.00 C ATOM 1075 NZ LYS A 71 22.714 -11.458 0.769 1.00 0.00 N ATOM 0 H LYS A 71 17.285 -13.441 0.037 1.00 0.00 H new ATOM 0 HA LYS A 71 17.756 -13.672 -2.122 1.00 0.00 H new ATOM 0 HB2 LYS A 71 20.398 -14.495 -0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 71 20.166 -14.574 -2.639 1.00 0.00 H new ATOM 0 HG2 LYS A 71 20.898 -12.433 -2.619 1.00 0.00 H new ATOM 0 HG3 LYS A 71 19.255 -12.046 -2.148 1.00 0.00 H new ATOM 0 HD2 LYS A 71 20.432 -10.964 -0.467 1.00 0.00 H new ATOM 0 HD3 LYS A 71 20.137 -12.510 0.304 1.00 0.00 H new ATOM 0 HE2 LYS A 71 22.360 -13.299 -0.219 1.00 0.00 H new ATOM 0 HE3 LYS A 71 22.659 -11.946 -1.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 23.738 -11.629 0.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 22.542 -10.444 0.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 22.253 -11.755 1.652 1.00 0.00 H new ATOM 1089 N ARG A 72 17.034 -15.918 -2.843 1.00 0.00 N ATOM 1090 CA ARG A 72 16.630 -17.224 -3.350 1.00 0.00 C ATOM 1091 C ARG A 72 16.401 -17.176 -4.857 1.00 0.00 C ATOM 1092 O ARG A 72 16.548 -16.127 -5.485 1.00 0.00 O ATOM 1093 CB ARG A 72 15.359 -17.698 -2.644 1.00 0.00 C ATOM 1094 CG ARG A 72 14.217 -16.696 -2.708 1.00 0.00 C ATOM 1095 CD ARG A 72 13.121 -17.156 -3.656 1.00 0.00 C ATOM 1096 NE ARG A 72 11.982 -17.728 -2.941 1.00 0.00 N ATOM 1097 CZ ARG A 72 11.063 -18.504 -3.510 1.00 0.00 C ATOM 1098 NH1 ARG A 72 11.143 -18.804 -4.800 1.00 0.00 N ATOM 1099 NH2 ARG A 72 10.059 -18.982 -2.786 1.00 0.00 N ATOM 0 H ARG A 72 16.495 -15.136 -3.216 1.00 0.00 H new ATOM 0 HA ARG A 72 17.435 -17.930 -3.146 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.033 -18.637 -3.092 1.00 0.00 H new ATOM 0 HB3 ARG A 72 15.590 -17.907 -1.599 1.00 0.00 H new ATOM 0 HG2 ARG A 72 13.800 -16.554 -1.711 1.00 0.00 H new ATOM 0 HG3 ARG A 72 14.599 -15.729 -3.034 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.784 -16.312 -4.258 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.526 -17.897 -4.345 1.00 0.00 H new ATOM 0 HE ARG A 72 11.886 -17.520 -1.947 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.912 -18.439 -5.362 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.435 -19.399 -5.230 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.992 -18.754 -1.794 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.354 -19.577 -3.222 1.00 0.00 H new ATOM 1113 N LYS A 73 16.040 -18.318 -5.432 1.00 0.00 N ATOM 1114 CA LYS A 73 15.790 -18.408 -6.866 1.00 0.00 C ATOM 1115 C LYS A 73 14.436 -17.801 -7.222 1.00 0.00 C ATOM 1116 O LYS A 73 13.816 -17.122 -6.404 1.00 0.00 O ATOM 1117 CB LYS A 73 15.848 -19.866 -7.325 1.00 0.00 C ATOM 1118 CG LYS A 73 17.079 -20.610 -6.830 1.00 0.00 C ATOM 1119 CD LYS A 73 18.360 -19.897 -7.231 1.00 0.00 C ATOM 1120 CE LYS A 73 19.435 -20.882 -7.663 1.00 0.00 C ATOM 1121 NZ LYS A 73 18.930 -21.846 -8.679 1.00 0.00 N ATOM 0 H LYS A 73 15.914 -19.195 -4.927 1.00 0.00 H new ATOM 0 HA LYS A 73 16.566 -17.843 -7.381 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.955 -20.384 -6.975 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.828 -19.897 -8.414 1.00 0.00 H new ATOM 0 HG2 LYS A 73 17.037 -20.703 -5.745 1.00 0.00 H new ATOM 0 HG3 LYS A 73 17.082 -21.621 -7.236 1.00 0.00 H new ATOM 0 HD2 LYS A 73 18.152 -19.204 -8.046 1.00 0.00 H new ATOM 0 HD3 LYS A 73 18.725 -19.303 -6.393 1.00 0.00 H new ATOM 0 HE2 LYS A 73 20.285 -20.335 -8.072 1.00 0.00 H new ATOM 0 HE3 LYS A 73 19.797 -21.429 -6.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 19.721 -22.175 -9.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.494 -22.659 -8.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.222 -21.378 -9.280 1.00 0.00 H new ATOM 1135 N ASP A 74 13.983 -18.046 -8.448 1.00 0.00 N ATOM 1136 CA ASP A 74 12.704 -17.519 -8.909 1.00 0.00 C ATOM 1137 C ASP A 74 11.759 -18.646 -9.319 1.00 0.00 C ATOM 1138 O ASP A 74 11.186 -18.622 -10.409 1.00 0.00 O ATOM 1139 CB ASP A 74 12.917 -16.562 -10.084 1.00 0.00 C ATOM 1140 CG ASP A 74 11.734 -15.638 -10.298 1.00 0.00 C ATOM 1141 OD1 ASP A 74 11.078 -15.273 -9.301 1.00 0.00 O ATOM 1142 OD2 ASP A 74 11.465 -15.280 -11.465 1.00 0.00 O ATOM 0 H ASP A 74 14.483 -18.606 -9.139 1.00 0.00 H new ATOM 0 HA ASP A 74 12.248 -16.975 -8.082 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.812 -15.966 -9.906 1.00 0.00 H new ATOM 0 HB3 ASP A 74 13.093 -17.139 -10.992 1.00 0.00 H new ATOM 1147 N ASN A 75 11.595 -19.627 -8.432 1.00 0.00 N ATOM 1148 CA ASN A 75 10.712 -20.771 -8.681 1.00 0.00 C ATOM 1149 C ASN A 75 11.384 -21.825 -9.542 1.00 0.00 C ATOM 1150 O ASN A 75 11.420 -23.005 -9.193 1.00 0.00 O ATOM 1151 CB ASN A 75 9.414 -20.324 -9.358 1.00 0.00 C ATOM 1152 CG ASN A 75 8.183 -20.912 -8.696 1.00 0.00 C ATOM 1153 OD1 ASN A 75 7.367 -21.566 -9.345 1.00 0.00 O ATOM 1154 ND2 ASN A 75 8.042 -20.681 -7.395 1.00 0.00 N ATOM 0 H ASN A 75 12.065 -19.654 -7.527 1.00 0.00 H new ATOM 0 HA ASN A 75 10.484 -21.208 -7.709 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.351 -19.236 -9.334 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.435 -20.619 -10.407 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.233 -21.051 -6.896 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.743 -20.133 -6.895 1.00 0.00 H new ATOM 1161 N GLU A 76 11.895 -21.389 -10.674 1.00 0.00 N ATOM 1162 CA GLU A 76 12.550 -22.282 -11.614 1.00 0.00 C ATOM 1163 C GLU A 76 14.048 -22.329 -11.365 1.00 0.00 C ATOM 1164 O GLU A 76 14.665 -23.394 -11.378 1.00 0.00 O ATOM 1165 CB GLU A 76 12.262 -21.824 -13.044 1.00 0.00 C ATOM 1166 CG GLU A 76 12.994 -22.634 -14.091 1.00 0.00 C ATOM 1167 CD GLU A 76 12.827 -22.071 -15.490 1.00 0.00 C ATOM 1168 OE1 GLU A 76 13.200 -20.898 -15.706 1.00 0.00 O ATOM 1169 OE2 GLU A 76 12.324 -22.802 -16.368 1.00 0.00 O ATOM 0 H GLU A 76 11.870 -20.413 -10.970 1.00 0.00 H new ATOM 0 HA GLU A 76 12.155 -23.288 -11.472 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.190 -21.888 -13.229 1.00 0.00 H new ATOM 0 HB3 GLU A 76 12.541 -20.775 -13.145 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.055 -22.668 -13.842 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.629 -23.661 -14.071 1.00 0.00 H new ATOM 1176 N GLY A 77 14.616 -21.162 -11.142 1.00 0.00 N ATOM 1177 CA GLY A 77 16.041 -21.061 -10.889 1.00 0.00 C ATOM 1178 C GLY A 77 16.616 -19.721 -11.309 1.00 0.00 C ATOM 1179 O GLY A 77 17.796 -19.626 -11.646 1.00 0.00 O ATOM 0 H GLY A 77 14.117 -20.273 -11.130 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.229 -21.216 -9.827 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.558 -21.858 -11.424 1.00 0.00 H new ATOM 1183 N ASN A 78 15.785 -18.683 -11.287 1.00 0.00 N ATOM 1184 CA ASN A 78 16.230 -17.347 -11.668 1.00 0.00 C ATOM 1185 C ASN A 78 16.746 -16.582 -10.453 1.00 0.00 C ATOM 1186 O ASN A 78 15.982 -16.244 -9.548 1.00 0.00 O ATOM 1187 CB ASN A 78 15.086 -16.574 -12.329 1.00 0.00 C ATOM 1188 CG ASN A 78 15.519 -15.886 -13.609 1.00 0.00 C ATOM 1189 OD1 ASN A 78 15.443 -14.663 -13.727 1.00 0.00 O ATOM 1190 ND2 ASN A 78 15.976 -16.672 -14.578 1.00 0.00 N ATOM 0 H ASN A 78 14.805 -18.741 -11.011 1.00 0.00 H new ATOM 0 HA ASN A 78 17.046 -17.451 -12.383 1.00 0.00 H new ATOM 0 HB2 ASN A 78 14.266 -17.259 -12.547 1.00 0.00 H new ATOM 0 HB3 ASN A 78 14.703 -15.830 -11.631 1.00 0.00 H new ATOM 0 HD21 ASN A 78 16.281 -16.266 -15.463 1.00 0.00 H new ATOM 0 HD22 ASN A 78 16.022 -17.681 -14.437 1.00 0.00 H new ATOM 1197 N GLU A 79 18.048 -16.314 -10.438 1.00 0.00 N ATOM 1198 CA GLU A 79 18.669 -15.591 -9.333 1.00 0.00 C ATOM 1199 C GLU A 79 17.993 -14.240 -9.117 1.00 0.00 C ATOM 1200 O GLU A 79 18.365 -13.242 -9.735 1.00 0.00 O ATOM 1201 CB GLU A 79 20.162 -15.391 -9.603 1.00 0.00 C ATOM 1202 CG GLU A 79 21.021 -16.563 -9.161 1.00 0.00 C ATOM 1203 CD GLU A 79 21.302 -16.552 -7.670 1.00 0.00 C ATOM 1204 OE1 GLU A 79 21.300 -15.454 -7.074 1.00 0.00 O ATOM 1205 OE2 GLU A 79 21.523 -17.641 -7.099 1.00 0.00 O ATOM 0 H GLU A 79 18.694 -16.587 -11.179 1.00 0.00 H new ATOM 0 HA GLU A 79 18.547 -16.186 -8.428 1.00 0.00 H new ATOM 0 HB2 GLU A 79 20.311 -15.224 -10.670 1.00 0.00 H new ATOM 0 HB3 GLU A 79 20.498 -14.490 -9.089 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.521 -17.495 -9.426 1.00 0.00 H new ATOM 0 HG3 GLU A 79 21.965 -16.542 -9.705 1.00 0.00 H new ATOM 1212 N VAL A 80 16.999 -14.217 -8.236 1.00 0.00 N ATOM 1213 CA VAL A 80 16.270 -12.990 -7.937 1.00 0.00 C ATOM 1214 C VAL A 80 16.086 -12.815 -6.432 1.00 0.00 C ATOM 1215 O VAL A 80 16.624 -13.587 -5.638 1.00 0.00 O ATOM 1216 CB VAL A 80 14.889 -12.978 -8.623 1.00 0.00 C ATOM 1217 CG1 VAL A 80 15.042 -13.100 -10.131 1.00 0.00 C ATOM 1218 CG2 VAL A 80 14.008 -14.093 -8.078 1.00 0.00 C ATOM 0 H VAL A 80 16.680 -15.034 -7.716 1.00 0.00 H new ATOM 0 HA VAL A 80 16.864 -12.162 -8.324 1.00 0.00 H new ATOM 0 HB VAL A 80 14.405 -12.026 -8.404 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.057 -13.090 -10.599 1.00 0.00 H new ATOM 0 HG12 VAL A 80 15.630 -12.263 -10.506 1.00 0.00 H new ATOM 0 HG13 VAL A 80 15.548 -14.035 -10.371 1.00 0.00 H new ATOM 0 HG21 VAL A 80 13.038 -14.067 -8.575 1.00 0.00 H new ATOM 0 HG22 VAL A 80 14.484 -15.056 -8.262 1.00 0.00 H new ATOM 0 HG23 VAL A 80 13.870 -13.956 -7.006 1.00 0.00 H new ATOM 1228 N VAL A 81 15.324 -11.797 -6.047 1.00 0.00 N ATOM 1229 CA VAL A 81 15.070 -11.524 -4.637 1.00 0.00 C ATOM 1230 C VAL A 81 13.579 -11.624 -4.321 1.00 0.00 C ATOM 1231 O VAL A 81 12.741 -11.170 -5.100 1.00 0.00 O ATOM 1232 CB VAL A 81 15.575 -10.125 -4.236 1.00 0.00 C ATOM 1233 CG1 VAL A 81 15.439 -9.915 -2.735 1.00 0.00 C ATOM 1234 CG2 VAL A 81 17.018 -9.928 -4.680 1.00 0.00 C ATOM 0 H VAL A 81 14.872 -11.148 -6.691 1.00 0.00 H new ATOM 0 HA VAL A 81 15.614 -12.275 -4.064 1.00 0.00 H new ATOM 0 HB VAL A 81 14.959 -9.381 -4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 81 15.801 -8.921 -2.472 1.00 0.00 H new ATOM 0 HG12 VAL A 81 14.391 -10.007 -2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 81 16.027 -10.666 -2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 81 17.356 -8.934 -4.388 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.650 -10.680 -4.207 1.00 0.00 H new ATOM 0 HG23 VAL A 81 17.082 -10.029 -5.763 1.00 0.00 H new ATOM 1244 N PRO A 82 13.224 -12.221 -3.169 1.00 0.00 N ATOM 1245 CA PRO A 82 11.823 -12.374 -2.761 1.00 0.00 C ATOM 1246 C PRO A 82 11.068 -11.050 -2.777 1.00 0.00 C ATOM 1247 O PRO A 82 11.477 -10.083 -2.136 1.00 0.00 O ATOM 1248 CB PRO A 82 11.922 -12.914 -1.332 1.00 0.00 C ATOM 1249 CG PRO A 82 13.251 -13.581 -1.268 1.00 0.00 C ATOM 1250 CD PRO A 82 14.153 -12.792 -2.176 1.00 0.00 C ATOM 0 HA PRO A 82 11.272 -13.026 -3.439 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.847 -12.110 -0.600 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.116 -13.616 -1.118 1.00 0.00 H new ATOM 0 HG2 PRO A 82 13.635 -13.590 -0.248 1.00 0.00 H new ATOM 0 HG3 PRO A 82 13.183 -14.620 -1.592 1.00 0.00 H new ATOM 0 HD2 PRO A 82 14.689 -12.013 -1.633 1.00 0.00 H new ATOM 0 HD3 PRO A 82 14.904 -13.427 -2.647 1.00 0.00 H new ATOM 1258 N LYS A 83 9.962 -11.014 -3.514 1.00 0.00 N ATOM 1259 CA LYS A 83 9.149 -9.808 -3.614 1.00 0.00 C ATOM 1260 C LYS A 83 8.630 -9.389 -2.240 1.00 0.00 C ATOM 1261 O LYS A 83 8.365 -10.234 -1.384 1.00 0.00 O ATOM 1262 CB LYS A 83 7.976 -10.035 -4.567 1.00 0.00 C ATOM 1263 CG LYS A 83 8.343 -9.871 -6.033 1.00 0.00 C ATOM 1264 CD LYS A 83 8.676 -11.207 -6.677 1.00 0.00 C ATOM 1265 CE LYS A 83 10.178 -11.431 -6.749 1.00 0.00 C ATOM 1266 NZ LYS A 83 10.731 -11.065 -8.082 1.00 0.00 N ATOM 0 H LYS A 83 9.609 -11.806 -4.050 1.00 0.00 H new ATOM 0 HA LYS A 83 9.776 -9.008 -4.007 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.580 -11.038 -4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.178 -9.335 -4.320 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.514 -9.405 -6.567 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.197 -9.200 -6.122 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.214 -12.013 -6.106 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.253 -11.244 -7.681 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.671 -10.840 -5.977 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.399 -12.477 -6.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.757 -11.232 -8.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.280 -11.647 -8.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.543 -10.060 -8.272 1.00 0.00 H new ATOM 1280 N PRO A 84 8.478 -8.074 -2.008 1.00 0.00 N ATOM 1281 CA PRO A 84 7.990 -7.547 -0.732 1.00 0.00 C ATOM 1282 C PRO A 84 6.483 -7.712 -0.572 1.00 0.00 C ATOM 1283 O PRO A 84 5.713 -7.357 -1.465 1.00 0.00 O ATOM 1284 CB PRO A 84 8.358 -6.069 -0.806 1.00 0.00 C ATOM 1285 CG PRO A 84 8.297 -5.755 -2.256 1.00 0.00 C ATOM 1286 CD PRO A 84 8.770 -6.993 -2.970 1.00 0.00 C ATOM 0 HA PRO A 84 8.423 -8.071 0.120 1.00 0.00 H new ATOM 0 HB2 PRO A 84 7.661 -5.455 -0.235 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.352 -5.885 -0.399 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.282 -5.495 -2.556 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.929 -4.900 -2.497 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.242 -7.140 -3.912 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.833 -6.940 -3.205 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.093 -5.153 -0.203 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.541 -5.312 -0.251 1.00 0.00 C ATOM 1337 C HIS A 87 -2.134 -4.462 -1.368 1.00 0.00 C ATOM 1338 O HIS A 87 -2.039 -3.235 -1.345 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.168 -4.920 1.090 1.00 0.00 C ATOM 1340 CG HIS A 87 -1.382 -5.383 2.279 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -1.367 -6.694 2.708 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -0.582 -4.700 3.132 1.00 0.00 C ATOM 1343 CE1 HIS A 87 -0.591 -6.798 3.773 1.00 0.00 C ATOM 1344 NE2 HIS A 87 -0.103 -5.602 4.050 1.00 0.00 N ATOM 0 HA HIS A 87 -1.762 -6.360 -0.450 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -2.268 -3.835 1.131 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.174 -5.335 1.146 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.362 -3.643 3.097 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -0.390 -7.706 4.323 1.00 0.00 H new ATOM 0 HE2 HIS A 87 0.528 -5.384 4.821 1.00 0.00 H new ATOM 1353 N MET A 88 -2.742 -5.119 -2.349 1.00 0.00 N ATOM 1354 CA MET A 88 -3.343 -4.419 -3.477 1.00 0.00 C ATOM 1355 C MET A 88 -4.780 -4.013 -3.167 1.00 0.00 C ATOM 1356 O MET A 88 -5.671 -4.859 -3.079 1.00 0.00 O ATOM 1357 CB MET A 88 -3.306 -5.299 -4.729 1.00 0.00 C ATOM 1358 CG MET A 88 -2.759 -4.588 -5.955 1.00 0.00 C ATOM 1359 SD MET A 88 -3.241 -5.389 -7.496 1.00 0.00 S ATOM 1360 CE MET A 88 -3.532 -3.965 -8.542 1.00 0.00 C ATOM 0 H MET A 88 -2.832 -6.134 -2.386 1.00 0.00 H new ATOM 0 HA MET A 88 -2.763 -3.514 -3.660 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.695 -6.179 -4.527 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.314 -5.653 -4.944 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.113 -3.557 -5.960 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.671 -4.552 -5.894 1.00 0.00 H new ATOM 0 HE1 MET A 88 -4.054 -4.278 -9.446 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.141 -3.238 -8.005 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.579 -3.511 -8.812 1.00 0.00 H new ATOM 1370 N PHE A 89 -4.999 -2.712 -3.008 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.329 -2.189 -2.716 1.00 0.00 C ATOM 1372 C PHE A 89 -6.940 -1.559 -3.961 1.00 0.00 C ATOM 1373 O PHE A 89 -6.230 -1.219 -4.907 1.00 0.00 O ATOM 1374 CB PHE A 89 -6.259 -1.159 -1.588 1.00 0.00 C ATOM 1375 CG PHE A 89 -5.898 -1.750 -0.256 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -6.728 -2.677 0.355 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.727 -1.380 0.387 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -6.398 -3.222 1.581 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.392 -1.922 1.614 1.00 0.00 C ATOM 1380 CZ PHE A 89 -5.229 -2.845 2.211 1.00 0.00 C ATOM 0 H PHE A 89 -4.272 -2.000 -3.076 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.962 -3.018 -2.398 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.525 -0.396 -1.849 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.223 -0.658 -1.504 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.644 -2.977 -0.133 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.069 -0.660 -0.076 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.054 -3.943 2.046 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.477 -1.624 2.105 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.969 -3.271 3.169 1.00 0.00 H new ATOM 1390 N SER A 90 -8.260 -1.407 -3.960 1.00 0.00 N ATOM 1391 CA SER A 90 -8.957 -0.819 -5.096 1.00 0.00 C ATOM 1392 C SER A 90 -9.910 0.281 -4.643 1.00 0.00 C ATOM 1393 O SER A 90 -10.647 0.116 -3.672 1.00 0.00 O ATOM 1394 CB SER A 90 -9.731 -1.897 -5.860 1.00 0.00 C ATOM 1395 OG SER A 90 -10.697 -1.320 -6.720 1.00 0.00 O ATOM 0 H SER A 90 -8.866 -1.682 -3.187 1.00 0.00 H new ATOM 0 HA SER A 90 -8.211 -0.378 -5.757 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.037 -2.503 -6.443 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.222 -2.566 -5.153 1.00 0.00 H new ATOM 0 HG SER A 90 -11.176 -2.030 -7.197 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.887 1.403 -5.353 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.748 2.534 -5.029 1.00 0.00 C ATOM 1403 C PHE A 91 -11.750 2.790 -6.151 1.00 0.00 C ATOM 1404 O PHE A 91 -11.546 2.361 -7.287 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.907 3.785 -4.778 1.00 0.00 C ATOM 1406 CG PHE A 91 -9.186 3.761 -3.462 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -8.327 2.721 -3.147 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -9.371 4.776 -2.537 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.665 2.694 -1.935 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.713 4.755 -1.324 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.858 3.713 -1.021 1.00 0.00 C ATOM 0 H PHE A 91 -9.280 1.554 -6.159 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.302 2.293 -4.122 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.178 3.892 -5.582 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.553 4.662 -4.815 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.173 1.922 -3.857 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -10.038 5.593 -2.768 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.997 1.878 -1.702 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.866 5.553 -0.612 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.342 3.695 -0.073 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.836 3.485 -5.826 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.871 3.787 -6.810 1.00 0.00 C ATOM 1423 C ASN A 92 -13.991 5.289 -7.058 1.00 0.00 C ATOM 1424 O ASN A 92 -14.508 5.715 -8.090 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.219 3.228 -6.349 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.442 1.803 -6.815 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.635 1.548 -8.004 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.418 0.863 -5.876 1.00 0.00 N ATOM 0 H ASN A 92 -13.022 3.849 -4.892 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.582 3.312 -7.748 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.272 3.264 -5.261 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.021 3.861 -6.728 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.563 -0.114 -6.129 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -15.255 1.119 -4.902 1.00 0.00 H new ATOM 1435 N ASN A 93 -13.514 6.088 -6.110 1.00 0.00 N ATOM 1436 CA ASN A 93 -13.577 7.539 -6.237 1.00 0.00 C ATOM 1437 C ASN A 93 -12.197 8.125 -6.515 1.00 0.00 C ATOM 1438 O ASN A 93 -11.209 7.397 -6.611 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.158 8.158 -4.964 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.078 9.327 -5.256 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.527 9.511 -6.388 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -15.363 10.126 -4.235 1.00 0.00 N ATOM 0 H ASN A 93 -13.081 5.757 -5.248 1.00 0.00 H new ATOM 0 HA ASN A 93 -14.227 7.775 -7.079 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.708 7.396 -4.411 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.343 8.492 -4.322 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -15.976 10.930 -4.372 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -14.969 9.936 -3.314 1.00 0.00 H new ATOM 1449 N ARG A 94 -12.136 9.447 -6.640 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.877 10.136 -6.905 1.00 0.00 C ATOM 1451 C ARG A 94 -10.422 10.924 -5.681 1.00 0.00 C ATOM 1452 O ARG A 94 -9.230 11.165 -5.493 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.004 11.072 -8.115 1.00 0.00 C ATOM 1454 CG ARG A 94 -12.431 11.503 -8.429 1.00 0.00 C ATOM 1455 CD ARG A 94 -12.937 12.536 -7.433 1.00 0.00 C ATOM 1456 NE ARG A 94 -14.275 12.214 -6.944 1.00 0.00 N ATOM 1457 CZ ARG A 94 -15.083 13.096 -6.358 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -14.691 14.352 -6.186 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -16.285 12.721 -5.945 1.00 0.00 N ATOM 0 H ARG A 94 -12.945 10.064 -6.562 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.127 9.378 -7.132 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.400 11.961 -7.936 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.587 10.574 -8.990 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -12.473 11.917 -9.436 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.086 10.632 -8.415 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -12.248 12.596 -6.591 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -12.950 13.519 -7.905 1.00 0.00 H new ATOM 0 HE ARG A 94 -14.610 11.257 -7.058 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -13.767 14.646 -6.503 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -15.314 15.024 -5.737 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -16.591 11.757 -6.076 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -16.904 13.396 -5.496 1.00 0.00 H new ATOM 1473 N THR A 95 -11.377 11.322 -4.847 1.00 0.00 N ATOM 1474 CA THR A 95 -11.073 12.077 -3.642 1.00 0.00 C ATOM 1475 C THR A 95 -10.661 11.141 -2.506 1.00 0.00 C ATOM 1476 O THR A 95 -9.745 11.444 -1.741 1.00 0.00 O ATOM 1477 CB THR A 95 -12.277 12.932 -3.243 1.00 0.00 C ATOM 1478 OG1 THR A 95 -12.083 14.279 -3.637 1.00 0.00 O ATOM 1479 CG2 THR A 95 -12.576 12.931 -1.759 1.00 0.00 C ATOM 0 H THR A 95 -12.370 11.133 -4.986 1.00 0.00 H new ATOM 0 HA THR A 95 -10.232 12.740 -3.845 1.00 0.00 H new ATOM 0 HB THR A 95 -13.123 12.476 -3.757 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.863 14.812 -3.376 1.00 0.00 H new ATOM 0 HG21 THR A 95 -13.443 13.561 -1.562 1.00 0.00 H new ATOM 0 HG22 THR A 95 -12.785 11.913 -1.431 1.00 0.00 H new ATOM 0 HG23 THR A 95 -11.715 13.318 -1.214 1.00 0.00 H new ATOM 1487 N VAL A 96 -11.345 10.006 -2.403 1.00 0.00 N ATOM 1488 CA VAL A 96 -11.049 9.031 -1.359 1.00 0.00 C ATOM 1489 C VAL A 96 -9.695 8.371 -1.596 1.00 0.00 C ATOM 1490 O VAL A 96 -8.993 8.017 -0.647 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.141 7.946 -1.270 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -12.231 7.154 -2.567 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.883 7.023 -0.089 1.00 0.00 C ATOM 0 H VAL A 96 -12.106 9.739 -3.028 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.022 9.575 -0.415 1.00 0.00 H new ATOM 0 HB VAL A 96 -13.099 8.442 -1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.009 6.396 -2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.474 7.828 -3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.274 6.671 -2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.664 6.264 -0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.914 6.539 -0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.886 7.603 0.834 1.00 0.00 H new ATOM 1503 N MET A 97 -9.326 8.217 -2.862 1.00 0.00 N ATOM 1504 CA MET A 97 -8.049 7.611 -3.213 1.00 0.00 C ATOM 1505 C MET A 97 -6.920 8.602 -2.991 1.00 0.00 C ATOM 1506 O MET A 97 -5.818 8.235 -2.582 1.00 0.00 O ATOM 1507 CB MET A 97 -8.056 7.143 -4.667 1.00 0.00 C ATOM 1508 CG MET A 97 -8.285 8.263 -5.666 1.00 0.00 C ATOM 1509 SD MET A 97 -6.752 9.065 -6.174 1.00 0.00 S ATOM 1510 CE MET A 97 -7.227 9.728 -7.768 1.00 0.00 C ATOM 0 H MET A 97 -9.892 8.503 -3.661 1.00 0.00 H new ATOM 0 HA MET A 97 -7.892 6.744 -2.571 1.00 0.00 H new ATOM 0 HB2 MET A 97 -7.105 6.659 -4.889 1.00 0.00 H new ATOM 0 HB3 MET A 97 -8.834 6.390 -4.794 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.790 7.863 -6.545 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.951 9.006 -5.227 1.00 0.00 H new ATOM 0 HE1 MET A 97 -6.564 10.552 -8.032 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.153 8.946 -8.524 1.00 0.00 H new ATOM 0 HE3 MET A 97 -8.254 10.090 -7.720 1.00 0.00 H new ATOM 1520 N ASP A 98 -7.214 9.864 -3.259 1.00 0.00 N ATOM 1521 CA ASP A 98 -6.239 10.933 -3.087 1.00 0.00 C ATOM 1522 C ASP A 98 -5.979 11.191 -1.605 1.00 0.00 C ATOM 1523 O ASP A 98 -4.913 11.679 -1.229 1.00 0.00 O ATOM 1524 CB ASP A 98 -6.730 12.214 -3.767 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.909 12.571 -4.990 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -6.083 11.909 -6.035 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -5.093 13.512 -4.903 1.00 0.00 O ATOM 0 H ASP A 98 -8.124 10.176 -3.598 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.304 10.623 -3.553 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.774 12.091 -4.057 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.692 13.038 -3.054 1.00 0.00 H new ATOM 1532 N ASN A 99 -6.956 10.857 -0.766 1.00 0.00 N ATOM 1533 CA ASN A 99 -6.822 11.050 0.672 1.00 0.00 C ATOM 1534 C ASN A 99 -5.905 9.990 1.272 1.00 0.00 C ATOM 1535 O ASN A 99 -4.979 10.304 2.018 1.00 0.00 O ATOM 1536 CB ASN A 99 -8.194 10.999 1.347 1.00 0.00 C ATOM 1537 CG ASN A 99 -9.121 12.094 0.855 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -8.673 13.143 0.397 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -10.424 11.851 0.950 1.00 0.00 N ATOM 0 H ASN A 99 -7.846 10.453 -1.058 1.00 0.00 H new ATOM 0 HA ASN A 99 -6.381 12.031 0.845 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.652 10.028 1.160 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -8.069 11.090 2.426 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.097 12.550 0.636 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.751 10.966 1.337 1.00 0.00 H new ATOM 1546 N ILE A 100 -6.170 8.732 0.936 1.00 0.00 N ATOM 1547 CA ILE A 100 -5.369 7.620 1.435 1.00 0.00 C ATOM 1548 C ILE A 100 -3.928 7.716 0.945 1.00 0.00 C ATOM 1549 O ILE A 100 -2.987 7.548 1.717 1.00 0.00 O ATOM 1550 CB ILE A 100 -5.959 6.264 0.994 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -7.422 6.153 1.430 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.141 5.115 1.566 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.603 6.084 2.929 1.00 0.00 C ATOM 0 H ILE A 100 -6.934 8.457 0.319 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.384 7.681 2.523 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.918 6.205 -0.094 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -7.973 7.011 1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.861 5.263 0.978 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.572 4.167 1.245 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.114 5.187 1.209 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.151 5.168 2.655 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.665 6.007 3.164 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.080 5.210 3.319 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.195 6.985 3.387 1.00 0.00 H new ATOM 1565 N LYS A 101 -3.765 7.980 -0.348 1.00 0.00 N ATOM 1566 CA LYS A 101 -2.439 8.090 -0.945 1.00 0.00 C ATOM 1567 C LYS A 101 -1.601 9.160 -0.245 1.00 0.00 C ATOM 1568 O LYS A 101 -0.411 8.967 0.000 1.00 0.00 O ATOM 1569 CB LYS A 101 -2.556 8.406 -2.441 1.00 0.00 C ATOM 1570 CG LYS A 101 -2.906 9.856 -2.740 1.00 0.00 C ATOM 1571 CD LYS A 101 -2.930 10.126 -4.235 1.00 0.00 C ATOM 1572 CE LYS A 101 -2.785 11.609 -4.535 1.00 0.00 C ATOM 1573 NZ LYS A 101 -2.912 11.897 -5.990 1.00 0.00 N ATOM 0 H LYS A 101 -4.535 8.122 -1.002 1.00 0.00 H new ATOM 0 HA LYS A 101 -1.934 7.132 -0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.612 8.163 -2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.317 7.761 -2.880 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.880 10.092 -2.311 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -2.179 10.513 -2.262 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.123 9.575 -4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.865 9.758 -4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.545 12.166 -3.987 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.816 11.958 -4.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.531 12.722 -6.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.972 12.099 -6.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.322 11.072 -6.473 1.00 0.00 H new ATOM 1587 N MET A 102 -2.230 10.289 0.066 1.00 0.00 N ATOM 1588 CA MET A 102 -1.539 11.391 0.727 1.00 0.00 C ATOM 1589 C MET A 102 -1.481 11.192 2.239 1.00 0.00 C ATOM 1590 O MET A 102 -0.604 11.736 2.911 1.00 0.00 O ATOM 1591 CB MET A 102 -2.226 12.718 0.403 1.00 0.00 C ATOM 1592 CG MET A 102 -1.943 13.223 -1.001 1.00 0.00 C ATOM 1593 SD MET A 102 -2.373 14.961 -1.215 1.00 0.00 S ATOM 1594 CE MET A 102 -3.312 14.893 -2.739 1.00 0.00 C ATOM 0 H MET A 102 -3.216 10.465 -0.129 1.00 0.00 H new ATOM 0 HA MET A 102 -0.516 11.412 0.350 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.302 12.600 0.527 1.00 0.00 H new ATOM 0 HB3 MET A 102 -1.902 13.470 1.123 1.00 0.00 H new ATOM 0 HG2 MET A 102 -0.886 13.084 -1.226 1.00 0.00 H new ATOM 0 HG3 MET A 102 -2.503 12.623 -1.718 1.00 0.00 H new ATOM 0 HE1 MET A 102 -3.648 15.895 -3.004 1.00 0.00 H new ATOM 0 HE2 MET A 102 -2.683 14.499 -3.537 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.177 14.244 -2.605 1.00 0.00 H new ATOM 1604 N THR A 103 -2.417 10.416 2.769 1.00 0.00 N ATOM 1605 CA THR A 103 -2.467 10.156 4.203 1.00 0.00 C ATOM 1606 C THR A 103 -1.546 9.005 4.587 1.00 0.00 C ATOM 1607 O THR A 103 -0.933 9.022 5.654 1.00 0.00 O ATOM 1608 CB THR A 103 -3.902 9.856 4.644 1.00 0.00 C ATOM 1609 OG1 THR A 103 -4.748 10.960 4.381 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.022 9.529 6.117 1.00 0.00 C ATOM 0 H THR A 103 -3.151 9.956 2.230 1.00 0.00 H new ATOM 0 HA THR A 103 -2.121 11.053 4.717 1.00 0.00 H new ATOM 0 HB THR A 103 -4.202 8.980 4.069 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.014 10.951 3.438 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.065 9.327 6.361 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.419 8.650 6.345 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.668 10.374 6.707 1.00 0.00 H new ATOM 1618 N LEU A 104 -1.443 8.009 3.716 1.00 0.00 N ATOM 1619 CA LEU A 104 -0.583 6.867 3.980 1.00 0.00 C ATOM 1620 C LEU A 104 0.864 7.326 4.078 1.00 0.00 C ATOM 1621 O LEU A 104 1.506 7.172 5.117 1.00 0.00 O ATOM 1622 CB LEU A 104 -0.736 5.808 2.884 1.00 0.00 C ATOM 1623 CG LEU A 104 -1.598 4.603 3.267 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -2.954 5.058 3.782 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -1.764 3.668 2.079 1.00 0.00 C ATOM 0 H LEU A 104 -1.941 7.970 2.827 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.879 6.417 4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.168 6.280 2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.255 5.452 2.602 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.093 4.059 4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.553 4.187 4.049 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.817 5.688 4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.466 5.626 3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.380 2.817 2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.246 4.202 1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.785 3.314 1.755 1.00 0.00 H new ATOM 1637 N GLN A 105 1.363 7.917 2.994 1.00 0.00 N ATOM 1638 CA GLN A 105 2.730 8.425 2.959 1.00 0.00 C ATOM 1639 C GLN A 105 2.997 9.317 4.168 1.00 0.00 C ATOM 1640 O GLN A 105 4.129 9.421 4.639 1.00 0.00 O ATOM 1641 CB GLN A 105 2.976 9.207 1.667 1.00 0.00 C ATOM 1642 CG GLN A 105 2.140 10.471 1.550 1.00 0.00 C ATOM 1643 CD GLN A 105 2.276 11.138 0.196 1.00 0.00 C ATOM 1644 OE1 GLN A 105 2.837 12.228 0.080 1.00 0.00 O ATOM 1645 NE2 GLN A 105 1.762 10.484 -0.840 1.00 0.00 N ATOM 0 H GLN A 105 0.840 8.055 2.129 1.00 0.00 H new ATOM 0 HA GLN A 105 3.413 7.576 2.991 1.00 0.00 H new ATOM 0 HB2 GLN A 105 4.031 9.473 1.609 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.763 8.561 0.815 1.00 0.00 H new ATOM 0 HG2 GLN A 105 1.093 10.227 1.727 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.439 11.173 2.328 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.306 9.583 -0.699 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.824 10.883 -1.777 1.00 0.00 H new ATOM 1654 N GLN A 106 1.939 9.945 4.674 1.00 0.00 N ATOM 1655 CA GLN A 106 2.056 10.813 5.838 1.00 0.00 C ATOM 1656 C GLN A 106 2.521 10.004 7.040 1.00 0.00 C ATOM 1657 O GLN A 106 3.291 10.484 7.872 1.00 0.00 O ATOM 1658 CB GLN A 106 0.718 11.496 6.139 1.00 0.00 C ATOM 1659 CG GLN A 106 0.719 12.990 5.856 1.00 0.00 C ATOM 1660 CD GLN A 106 1.883 13.709 6.511 1.00 0.00 C ATOM 1661 OE1 GLN A 106 2.959 13.901 5.758 1.00 0.00 O flip ATOM 1662 NE2 GLN A 106 1.814 14.088 7.681 1.00 0.00 N flip ATOM 0 H GLN A 106 0.995 9.868 4.296 1.00 0.00 H new ATOM 0 HA GLN A 106 2.793 11.588 5.625 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -0.064 11.023 5.545 1.00 0.00 H new ATOM 0 HB3 GLN A 106 0.464 11.333 7.187 1.00 0.00 H new ATOM 0 HG2 GLN A 106 0.757 13.152 4.779 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -0.216 13.423 6.210 1.00 0.00 H new ATOM 0 HE21 GLN A 106 0.966 13.919 8.223 1.00 0.00 H new ATOM 0 HE22 GLN A 106 2.604 14.571 8.108 1.00 0.00 H new ATOM 1671 N ILE A 107 2.063 8.763 7.099 1.00 0.00 N ATOM 1672 CA ILE A 107 2.438 7.854 8.171 1.00 0.00 C ATOM 1673 C ILE A 107 3.782 7.212 7.849 1.00 0.00 C ATOM 1674 O ILE A 107 4.632 7.037 8.720 1.00 0.00 O ATOM 1675 CB ILE A 107 1.377 6.752 8.372 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.039 7.369 8.789 1.00 0.00 C ATOM 1677 CG2 ILE A 107 1.847 5.738 9.404 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -1.078 7.113 7.801 1.00 0.00 C ATOM 0 H ILE A 107 1.426 8.360 6.411 1.00 0.00 H new ATOM 0 HA ILE A 107 2.510 8.430 9.094 1.00 0.00 H new ATOM 0 HB ILE A 107 1.235 6.232 7.425 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.249 6.970 9.762 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.166 8.445 8.911 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.085 4.969 9.532 1.00 0.00 H new ATOM 0 HG22 ILE A 107 2.775 5.277 9.065 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.018 6.240 10.356 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.996 7.579 8.161 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.811 7.537 6.833 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.233 6.039 7.697 1.00 0.00 H new ATOM 1690 N ILE A 108 3.959 6.879 6.576 1.00 0.00 N ATOM 1691 CA ILE A 108 5.192 6.272 6.094 1.00 0.00 C ATOM 1692 C ILE A 108 6.386 7.156 6.417 1.00 0.00 C ATOM 1693 O ILE A 108 7.377 6.707 6.994 1.00 0.00 O ATOM 1694 CB ILE A 108 5.134 6.062 4.571 1.00 0.00 C ATOM 1695 CG1 ILE A 108 3.828 5.367 4.188 1.00 0.00 C ATOM 1696 CG2 ILE A 108 6.339 5.272 4.088 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.838 4.743 2.807 1.00 0.00 C ATOM 0 H ILE A 108 3.255 7.022 5.852 1.00 0.00 H new ATOM 0 HA ILE A 108 5.303 5.309 6.593 1.00 0.00 H new ATOM 0 HB ILE A 108 5.162 7.035 4.081 1.00 0.00 H new ATOM 0 HG12 ILE A 108 3.613 4.592 4.923 1.00 0.00 H new ATOM 0 HG13 ILE A 108 3.015 6.091 4.241 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.276 5.136 3.008 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.252 5.815 4.333 1.00 0.00 H new ATOM 0 HG23 ILE A 108 6.355 4.298 4.576 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.875 4.271 2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.020 5.516 2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.627 3.993 2.752 1.00 0.00 H new ATOM 1709 N SER A 109 6.275 8.421 6.035 1.00 0.00 N ATOM 1710 CA SER A 109 7.336 9.397 6.271 1.00 0.00 C ATOM 1711 C SER A 109 7.740 9.436 7.742 1.00 0.00 C ATOM 1712 O SER A 109 8.860 9.826 8.077 1.00 0.00 O ATOM 1713 CB SER A 109 6.890 10.786 5.815 1.00 0.00 C ATOM 1714 OG SER A 109 8.006 11.621 5.555 1.00 0.00 O ATOM 0 H SER A 109 5.457 8.799 5.557 1.00 0.00 H new ATOM 0 HA SER A 109 8.205 9.090 5.689 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.280 10.698 4.916 1.00 0.00 H new ATOM 0 HB3 SER A 109 6.263 11.240 6.582 1.00 0.00 H new ATOM 0 HG SER A 109 7.694 12.503 5.264 1.00 0.00 H new ATOM 1720 N ARG A 110 6.827 9.032 8.616 1.00 0.00 N ATOM 1721 CA ARG A 110 7.093 9.023 10.051 1.00 0.00 C ATOM 1722 C ARG A 110 8.288 8.130 10.375 1.00 0.00 C ATOM 1723 O ARG A 110 9.020 8.379 11.332 1.00 0.00 O ATOM 1724 CB ARG A 110 5.864 8.538 10.824 1.00 0.00 C ATOM 1725 CG ARG A 110 4.591 9.299 10.489 1.00 0.00 C ATOM 1726 CD ARG A 110 3.427 8.843 11.356 1.00 0.00 C ATOM 1727 NE ARG A 110 3.647 9.144 12.769 1.00 0.00 N ATOM 1728 CZ ARG A 110 2.972 8.572 13.763 1.00 0.00 C ATOM 1729 NH1 ARG A 110 2.035 7.669 13.503 1.00 0.00 N ATOM 1730 NH2 ARG A 110 3.235 8.902 15.019 1.00 0.00 N ATOM 0 H ARG A 110 5.896 8.706 8.358 1.00 0.00 H new ATOM 0 HA ARG A 110 7.324 10.044 10.354 1.00 0.00 H new ATOM 0 HB2 ARG A 110 5.709 7.479 10.616 1.00 0.00 H new ATOM 0 HB3 ARG A 110 6.059 8.627 11.893 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.756 10.367 10.631 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.343 9.152 9.438 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.512 9.330 11.020 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.281 7.770 11.232 1.00 0.00 H new ATOM 0 HE ARG A 110 4.360 9.833 13.007 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.830 7.411 12.538 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.520 7.233 14.268 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.955 9.595 15.224 1.00 0.00 H new ATOM 0 HH22 ARG A 110 2.717 8.463 15.781 1.00 0.00 H new ATOM 1744 N TYR A 111 8.473 7.088 9.572 1.00 0.00 N ATOM 1745 CA TYR A 111 9.576 6.154 9.773 1.00 0.00 C ATOM 1746 C TYR A 111 10.738 6.475 8.838 1.00 0.00 C ATOM 1747 O TYR A 111 11.902 6.338 9.211 1.00 0.00 O ATOM 1748 CB TYR A 111 9.106 4.713 9.543 1.00 0.00 C ATOM 1749 CG TYR A 111 7.636 4.495 9.832 1.00 0.00 C ATOM 1750 CD1 TYR A 111 7.161 4.471 11.136 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.725 4.317 8.798 1.00 0.00 C ATOM 1752 CE1 TYR A 111 5.819 4.274 11.403 1.00 0.00 C ATOM 1753 CE2 TYR A 111 5.381 4.122 9.056 1.00 0.00 C ATOM 1754 CZ TYR A 111 4.934 4.101 10.360 1.00 0.00 C ATOM 1755 OH TYR A 111 3.597 3.905 10.622 1.00 0.00 O ATOM 0 H TYR A 111 7.874 6.868 8.776 1.00 0.00 H new ATOM 0 HA TYR A 111 9.920 6.256 10.802 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.308 4.436 8.508 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.693 4.045 10.173 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.851 4.608 11.955 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.073 4.331 7.776 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.466 4.256 12.423 1.00 0.00 H new ATOM 0 HE2 TYR A 111 4.685 3.987 8.241 1.00 0.00 H new ATOM 0 HH TYR A 111 3.356 4.364 11.453 1.00 0.00 H new ATOM 1765 N LYS A 112 10.412 6.903 7.623 1.00 0.00 N ATOM 1766 CA LYS A 112 11.428 7.245 6.635 1.00 0.00 C ATOM 1767 C LYS A 112 12.318 8.376 7.139 1.00 0.00 C ATOM 1768 O LYS A 112 13.545 8.277 7.108 1.00 0.00 O ATOM 1769 CB LYS A 112 10.770 7.648 5.314 1.00 0.00 C ATOM 1770 CG LYS A 112 11.761 7.869 4.183 1.00 0.00 C ATOM 1771 CD LYS A 112 11.069 8.370 2.926 1.00 0.00 C ATOM 1772 CE LYS A 112 10.105 7.333 2.371 1.00 0.00 C ATOM 1773 NZ LYS A 112 8.700 7.604 2.784 1.00 0.00 N ATOM 0 H LYS A 112 9.452 7.021 7.299 1.00 0.00 H new ATOM 0 HA LYS A 112 12.049 6.365 6.470 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.062 6.873 5.019 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.197 8.562 5.467 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.517 8.590 4.496 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.281 6.936 3.966 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.528 9.289 3.149 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.816 8.615 2.171 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.168 7.324 1.283 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.400 6.342 2.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.122 6.754 2.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 8.677 7.855 3.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.319 8.392 2.222 1.00 0.00 H new