USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 902 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 54 THR OG1 : rot -51:sc= 0.429 USER MOD Set 1.2: B 46 LYS NZ :NH3+ -149:sc= 1.41 (180deg=-0.519) USER MOD Set 2.1: A 46 LYS NZ :NH3+ -111:sc= 1.09 (180deg=-0.467) USER MOD Set 2.2: B 54 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 7 TYR OH : rot -15:sc= 0.445 USER MOD Set 3.2: A 28 SER OG : rot 88:sc= 0.479 USER MOD Single : A 1 MET CE :methyl -170:sc= -0.0265 (180deg=-0.191) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot -130:sc= -2.51 USER MOD Single : A 3 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00448) USER MOD Single : A 8 GLN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 140:sc= 1.05 (180deg=0.111) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.174 X(o=-0.17,f=-0.24) USER MOD Single : A 25 THR OG1 : rot 156:sc= -0.188 USER MOD Single : A 26 MET CE :methyl -153:sc= -6.35! (180deg=-8.28!) USER MOD Single : A 29 SER OG : rot -174:sc= 1.39 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -150:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.258 X(o=-0.26,f=0.042) USER MOD Single : A 44 SER OG : rot -134:sc= -0.296 USER MOD Single : A 48 ASN : amide:sc= -3.14! K(o=-3.1!,f=-1.9) USER MOD Single : A 49 SER OG : rot 15:sc= 0.00342 USER MOD Single : A 58 THR OG1 : rot -27:sc= 0.194 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -167:sc= -0.0401 (180deg=-0.278) USER MOD Single : B 1 MET N :NH3+ 144:sc= 0.111 (180deg=0) USER MOD Single : B 2 TYR OH : rot -130:sc= -1.81 USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 TYR OH : rot 180:sc= 0.159 USER MOD Single : B 8 GLN : amide:sc= -0.169 X(o=-0.17,f=0) USER MOD Single : B 10 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0264) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 LYS NZ :NH3+ -110:sc= 1.02 (180deg=-0.0198) USER MOD Single : B 21 SER OG : rot 180:sc= 0 USER MOD Single : B 22 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : B 25 THR OG1 : rot 100:sc= -0.51 USER MOD Single : B 26 MET CE :methyl -150:sc= -5.74! (180deg=-7.6!) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 29 SER OG : rot -177:sc= 1.37 USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 133:sc= 1.25 (180deg=-0.208) USER MOD Single : B 37 SER OG : rot -159:sc= 0 USER MOD Single : B 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 44 SER OG : rot -120:sc= -0.536 USER MOD Single : B 48 ASN : amide:sc= -0.584 X(o=-0.58,f=-0.3) USER MOD Single : B 49 SER OG : rot -93:sc= 0.132 USER MOD Single : B 58 THR OG1 : rot -39:sc= 0.607 USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.910 8.729 10.136 1.00 0.00 N ATOM 2 CA MET A 1 -12.290 8.430 8.739 1.00 0.00 C ATOM 3 C MET A 1 -11.683 7.075 8.323 1.00 0.00 C ATOM 4 O MET A 1 -12.400 6.083 8.160 1.00 0.00 O ATOM 5 CB MET A 1 -11.810 9.573 7.800 1.00 0.00 C ATOM 6 CG MET A 1 -12.294 9.462 6.351 1.00 0.00 C ATOM 7 SD MET A 1 -11.528 10.679 5.253 1.00 0.00 S ATOM 8 CE MET A 1 -12.022 12.237 5.987 1.00 0.00 C ATOM 0 H1 MET A 1 -12.318 9.643 10.419 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.270 7.980 10.762 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.874 8.775 10.212 1.00 0.00 H new ATOM 0 HA MET A 1 -13.375 8.364 8.658 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.148 10.525 8.209 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.720 9.593 7.803 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.081 8.460 5.979 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.376 9.588 6.325 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.767 13.054 5.312 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.098 12.232 6.161 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.502 12.374 6.935 1.00 0.00 H new ATOM 18 N TYR A 2 -10.345 7.053 8.177 1.00 0.00 N ATOM 19 CA TYR A 2 -9.567 5.843 7.842 1.00 0.00 C ATOM 20 C TYR A 2 -8.123 5.983 8.340 1.00 0.00 C ATOM 21 O TYR A 2 -7.711 7.061 8.794 1.00 0.00 O ATOM 22 CB TYR A 2 -9.608 5.541 6.319 1.00 0.00 C ATOM 23 CG TYR A 2 -9.386 6.742 5.377 1.00 0.00 C ATOM 24 CD1 TYR A 2 -8.224 7.515 5.418 1.00 0.00 C ATOM 25 CD2 TYR A 2 -10.349 7.087 4.433 1.00 0.00 C ATOM 26 CE1 TYR A 2 -8.045 8.579 4.559 1.00 0.00 C ATOM 27 CE2 TYR A 2 -10.170 8.135 3.579 1.00 0.00 C ATOM 28 CZ TYR A 2 -9.021 8.878 3.642 1.00 0.00 C ATOM 29 OH TYR A 2 -8.850 9.922 2.786 1.00 0.00 O ATOM 0 H TYR A 2 -9.766 7.885 8.290 1.00 0.00 H new ATOM 0 HA TYR A 2 -10.027 4.995 8.350 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -8.850 4.789 6.099 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -10.575 5.097 6.084 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.452 7.276 6.135 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.260 6.510 4.375 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.144 9.172 4.608 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -10.933 8.379 2.854 1.00 0.00 H new ATOM 0 HH TYR A 2 -9.646 10.494 2.804 1.00 0.00 H new ATOM 39 N LYS A 3 -7.343 4.898 8.199 1.00 0.00 N ATOM 40 CA LYS A 3 -5.982 4.824 8.744 1.00 0.00 C ATOM 41 C LYS A 3 -5.184 3.660 8.127 1.00 0.00 C ATOM 42 O LYS A 3 -5.707 2.879 7.318 1.00 0.00 O ATOM 43 CB LYS A 3 -6.009 4.784 10.324 1.00 0.00 C ATOM 44 CG LYS A 3 -7.053 3.863 11.007 1.00 0.00 C ATOM 45 CD LYS A 3 -6.755 2.362 10.841 1.00 0.00 C ATOM 46 CE LYS A 3 -7.616 1.479 11.753 1.00 0.00 C ATOM 47 NZ LYS A 3 -9.068 1.642 11.515 1.00 0.00 N ATOM 0 H LYS A 3 -7.638 4.054 7.707 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.452 5.733 8.461 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.020 4.482 10.668 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.174 5.800 10.682 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.094 4.101 12.070 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.039 4.077 10.594 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.923 2.076 9.803 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.702 2.180 11.056 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.344 0.435 11.600 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.395 1.717 12.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -9.596 0.996 12.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.345 2.623 11.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.284 1.421 10.522 1.00 0.00 H new ATOM 61 N PHE A 4 -3.904 3.580 8.523 1.00 0.00 N ATOM 62 CA PHE A 4 -2.960 2.551 8.082 1.00 0.00 C ATOM 63 C PHE A 4 -2.946 1.424 9.122 1.00 0.00 C ATOM 64 O PHE A 4 -2.530 1.633 10.266 1.00 0.00 O ATOM 65 CB PHE A 4 -1.536 3.151 7.919 1.00 0.00 C ATOM 66 CG PHE A 4 -1.449 4.257 6.869 1.00 0.00 C ATOM 67 CD1 PHE A 4 -1.210 3.952 5.528 1.00 0.00 C ATOM 68 CD2 PHE A 4 -1.612 5.599 7.220 1.00 0.00 C ATOM 69 CE1 PHE A 4 -1.135 4.950 4.576 1.00 0.00 C ATOM 70 CE2 PHE A 4 -1.536 6.595 6.267 1.00 0.00 C ATOM 71 CZ PHE A 4 -1.299 6.271 4.945 1.00 0.00 C ATOM 0 H PHE A 4 -3.491 4.247 9.175 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.271 2.159 7.114 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.207 3.548 8.879 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.844 2.353 7.650 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.082 2.922 5.231 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.800 5.861 8.251 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.948 4.697 3.543 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.662 7.628 6.555 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.242 7.051 4.200 1.00 0.00 H new ATOM 81 N GLU A 5 -3.437 0.248 8.728 1.00 0.00 N ATOM 82 CA GLU A 5 -3.447 -0.941 9.588 1.00 0.00 C ATOM 83 C GLU A 5 -2.191 -1.762 9.306 1.00 0.00 C ATOM 84 O GLU A 5 -2.087 -2.412 8.262 1.00 0.00 O ATOM 85 CB GLU A 5 -4.737 -1.777 9.362 1.00 0.00 C ATOM 86 CG GLU A 5 -6.023 -1.022 9.754 1.00 0.00 C ATOM 87 CD GLU A 5 -7.337 -1.820 9.683 1.00 0.00 C ATOM 88 OE1 GLU A 5 -7.318 -3.028 9.398 1.00 0.00 O ATOM 89 OE2 GLU A 5 -8.412 -1.218 9.908 1.00 0.00 O ATOM 0 H GLU A 5 -3.839 0.091 7.804 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.446 -0.638 10.635 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.797 -2.065 8.312 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.672 -2.698 9.942 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.904 -0.651 10.772 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.118 -0.151 9.106 1.00 0.00 H new ATOM 96 N ILE A 6 -1.233 -1.713 10.247 1.00 0.00 N ATOM 97 CA ILE A 6 0.061 -2.390 10.130 1.00 0.00 C ATOM 98 C ILE A 6 -0.009 -3.676 10.936 1.00 0.00 C ATOM 99 O ILE A 6 -0.234 -3.655 12.141 1.00 0.00 O ATOM 100 CB ILE A 6 1.238 -1.534 10.705 1.00 0.00 C ATOM 101 CG1 ILE A 6 1.174 -0.076 10.171 1.00 0.00 C ATOM 102 CG2 ILE A 6 2.612 -2.199 10.396 1.00 0.00 C ATOM 103 CD1 ILE A 6 2.041 0.898 10.934 1.00 0.00 C ATOM 0 H ILE A 6 -1.341 -1.195 11.119 1.00 0.00 H new ATOM 0 HA ILE A 6 0.253 -2.566 9.072 1.00 0.00 H new ATOM 0 HB ILE A 6 1.132 -1.491 11.789 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.475 -0.070 9.123 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.140 0.268 10.208 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.414 -1.585 10.806 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.646 -3.190 10.848 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.739 -2.288 9.317 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.940 1.893 10.499 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.727 0.924 11.977 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.082 0.581 10.876 1.00 0.00 H new ATOM 115 N TYR A 7 0.197 -4.774 10.271 1.00 0.00 N ATOM 116 CA TYR A 7 0.170 -6.091 10.878 1.00 0.00 C ATOM 117 C TYR A 7 1.322 -6.911 10.311 1.00 0.00 C ATOM 118 O TYR A 7 2.157 -6.398 9.562 1.00 0.00 O ATOM 119 CB TYR A 7 -1.211 -6.755 10.611 1.00 0.00 C ATOM 120 CG TYR A 7 -1.606 -6.770 9.120 1.00 0.00 C ATOM 121 CD1 TYR A 7 -2.260 -5.675 8.547 1.00 0.00 C ATOM 122 CD2 TYR A 7 -1.298 -7.848 8.282 1.00 0.00 C ATOM 123 CE1 TYR A 7 -2.589 -5.658 7.214 1.00 0.00 C ATOM 124 CE2 TYR A 7 -1.626 -7.825 6.940 1.00 0.00 C ATOM 125 CZ TYR A 7 -2.272 -6.728 6.415 1.00 0.00 C ATOM 126 OH TYR A 7 -2.602 -6.698 5.081 1.00 0.00 O ATOM 0 H TYR A 7 0.393 -4.790 9.270 1.00 0.00 H new ATOM 0 HA TYR A 7 0.297 -6.027 11.959 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.192 -7.779 10.984 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.977 -6.224 11.177 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.511 -4.826 9.165 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.796 -8.712 8.691 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.097 -4.803 6.794 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -1.377 -8.663 6.306 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.251 -5.981 4.921 1.00 0.00 H new ATOM 136 N GLN A 8 1.398 -8.160 10.727 1.00 0.00 N ATOM 137 CA GLN A 8 2.162 -9.188 10.017 1.00 0.00 C ATOM 138 C GLN A 8 1.204 -10.320 9.654 1.00 0.00 C ATOM 139 O GLN A 8 0.181 -10.533 10.323 1.00 0.00 O ATOM 140 CB GLN A 8 3.378 -9.705 10.844 1.00 0.00 C ATOM 141 CG GLN A 8 3.041 -10.657 12.003 1.00 0.00 C ATOM 142 CD GLN A 8 4.203 -10.887 12.984 1.00 0.00 C ATOM 143 OE1 GLN A 8 3.989 -11.059 14.186 1.00 0.00 O ATOM 144 NE2 GLN A 8 5.438 -10.933 12.483 1.00 0.00 N ATOM 0 H GLN A 8 0.933 -8.500 11.569 1.00 0.00 H new ATOM 0 HA GLN A 8 2.591 -8.756 9.113 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.063 -10.215 10.167 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.911 -8.844 11.248 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.189 -10.256 12.553 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.731 -11.618 11.592 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.589 -10.787 11.485 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.231 -11.114 13.098 1.00 0.00 H new ATOM 153 N ASP A 9 1.521 -11.014 8.570 1.00 0.00 N ATOM 154 CA ASP A 9 0.757 -12.163 8.102 1.00 0.00 C ATOM 155 C ASP A 9 1.184 -13.406 8.907 1.00 0.00 C ATOM 156 O ASP A 9 2.220 -13.358 9.570 1.00 0.00 O ATOM 157 CB ASP A 9 1.000 -12.336 6.576 1.00 0.00 C ATOM 158 CG ASP A 9 0.258 -13.538 5.970 1.00 0.00 C ATOM 159 OD1 ASP A 9 -0.971 -13.460 5.784 1.00 0.00 O ATOM 160 OD2 ASP A 9 0.898 -14.576 5.706 1.00 0.00 O ATOM 0 H ASP A 9 2.326 -10.793 7.983 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.312 -12.019 8.256 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.686 -11.428 6.061 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.069 -12.451 6.397 1.00 0.00 H new ATOM 165 N LYS A 10 0.369 -14.488 8.842 1.00 0.00 N ATOM 166 CA LYS A 10 0.636 -15.809 9.482 1.00 0.00 C ATOM 167 C LYS A 10 2.075 -16.297 9.191 1.00 0.00 C ATOM 168 O LYS A 10 2.734 -16.888 10.047 1.00 0.00 O ATOM 169 CB LYS A 10 -0.438 -16.836 8.989 1.00 0.00 C ATOM 170 CG LYS A 10 -0.556 -18.174 9.786 1.00 0.00 C ATOM 171 CD LYS A 10 0.512 -19.243 9.442 1.00 0.00 C ATOM 172 CE LYS A 10 0.511 -19.651 7.955 1.00 0.00 C ATOM 173 NZ LYS A 10 1.501 -20.718 7.668 1.00 0.00 N ATOM 0 H LYS A 10 -0.514 -14.470 8.332 1.00 0.00 H new ATOM 0 HA LYS A 10 0.560 -15.709 10.565 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.411 -16.344 9.006 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.222 -17.079 7.949 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.494 -17.951 10.851 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.544 -18.599 9.607 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.498 -18.859 9.706 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.340 -20.128 10.054 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.484 -19.996 7.675 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.731 -18.778 7.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.466 -20.961 6.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.455 -20.381 7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.277 -21.561 8.235 1.00 0.00 H new ATOM 187 N ALA A 11 2.546 -15.990 7.975 1.00 0.00 N ATOM 188 CA ALA A 11 3.910 -16.323 7.513 1.00 0.00 C ATOM 189 C ALA A 11 4.985 -15.357 8.102 1.00 0.00 C ATOM 190 O ALA A 11 6.137 -15.355 7.662 1.00 0.00 O ATOM 191 CB ALA A 11 3.933 -16.320 5.980 1.00 0.00 C ATOM 0 H ALA A 11 1.990 -15.499 7.275 1.00 0.00 H new ATOM 0 HA ALA A 11 4.167 -17.318 7.877 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.936 -16.565 5.631 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.227 -17.061 5.604 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.652 -15.332 5.614 1.00 0.00 H new ATOM 197 N GLY A 12 4.590 -14.576 9.128 1.00 0.00 N ATOM 198 CA GLY A 12 5.441 -13.581 9.788 1.00 0.00 C ATOM 199 C GLY A 12 5.743 -12.370 8.914 1.00 0.00 C ATOM 200 O GLY A 12 6.698 -11.632 9.177 1.00 0.00 O ATOM 0 H GLY A 12 3.651 -14.625 9.524 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.954 -13.247 10.704 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.379 -14.052 10.080 1.00 0.00 H new ATOM 204 N GLU A 13 4.887 -12.132 7.900 1.00 0.00 N ATOM 205 CA GLU A 13 5.179 -11.146 6.828 1.00 0.00 C ATOM 206 C GLU A 13 4.538 -9.791 7.131 1.00 0.00 C ATOM 207 O GLU A 13 3.342 -9.604 6.891 1.00 0.00 O ATOM 208 CB GLU A 13 4.717 -11.671 5.440 1.00 0.00 C ATOM 209 CG GLU A 13 5.479 -12.920 4.960 1.00 0.00 C ATOM 210 CD GLU A 13 5.220 -13.248 3.479 1.00 0.00 C ATOM 211 OE1 GLU A 13 5.884 -12.645 2.606 1.00 0.00 O ATOM 212 OE2 GLU A 13 4.356 -14.099 3.182 1.00 0.00 O ATOM 0 H GLU A 13 3.989 -12.605 7.797 1.00 0.00 H new ATOM 0 HA GLU A 13 6.260 -11.009 6.796 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.653 -11.902 5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.839 -10.877 4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.548 -12.768 5.112 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.189 -13.774 5.572 1.00 0.00 H new ATOM 219 N TYR A 14 5.334 -8.868 7.710 1.00 0.00 N ATOM 220 CA TYR A 14 4.909 -7.477 7.951 1.00 0.00 C ATOM 221 C TYR A 14 4.376 -6.820 6.671 1.00 0.00 C ATOM 222 O TYR A 14 5.032 -6.823 5.639 1.00 0.00 O ATOM 223 CB TYR A 14 6.040 -6.638 8.597 1.00 0.00 C ATOM 224 CG TYR A 14 6.288 -7.050 10.054 1.00 0.00 C ATOM 225 CD1 TYR A 14 5.426 -6.620 11.068 1.00 0.00 C ATOM 226 CD2 TYR A 14 7.336 -7.899 10.414 1.00 0.00 C ATOM 227 CE1 TYR A 14 5.597 -7.029 12.376 1.00 0.00 C ATOM 228 CE2 TYR A 14 7.512 -8.299 11.724 1.00 0.00 C ATOM 229 CZ TYR A 14 6.641 -7.861 12.703 1.00 0.00 C ATOM 230 OH TYR A 14 6.797 -8.282 14.007 1.00 0.00 O ATOM 0 H TYR A 14 6.285 -9.067 8.022 1.00 0.00 H new ATOM 0 HA TYR A 14 4.085 -7.509 8.664 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.958 -6.761 8.022 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.778 -5.581 8.557 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.611 -5.955 10.823 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.021 -8.249 9.655 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.911 -6.696 13.141 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.330 -8.954 11.983 1.00 0.00 H new ATOM 0 HH TYR A 14 7.582 -8.866 14.071 1.00 0.00 H new ATOM 240 N ARG A 15 3.142 -6.331 6.793 1.00 0.00 N ATOM 241 CA ARG A 15 2.349 -5.722 5.728 1.00 0.00 C ATOM 242 C ARG A 15 1.483 -4.628 6.346 1.00 0.00 C ATOM 243 O ARG A 15 0.890 -4.836 7.404 1.00 0.00 O ATOM 244 CB ARG A 15 1.443 -6.794 5.066 1.00 0.00 C ATOM 245 CG ARG A 15 2.197 -7.894 4.280 1.00 0.00 C ATOM 246 CD ARG A 15 1.327 -9.123 4.017 1.00 0.00 C ATOM 247 NE ARG A 15 1.887 -9.985 2.955 1.00 0.00 N ATOM 248 CZ ARG A 15 1.254 -10.320 1.819 1.00 0.00 C ATOM 249 NH1 ARG A 15 0.039 -9.854 1.560 1.00 0.00 N ATOM 250 NH2 ARG A 15 1.845 -11.114 0.938 1.00 0.00 N ATOM 0 H ARG A 15 2.644 -6.350 7.683 1.00 0.00 H new ATOM 0 HA ARG A 15 3.005 -5.301 4.966 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.843 -7.270 5.842 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.751 -6.294 4.388 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.542 -7.486 3.330 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.084 -8.193 4.839 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.228 -9.700 4.937 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.325 -8.803 3.732 1.00 0.00 H new ATOM 0 HE ARG A 15 2.827 -10.354 3.096 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.423 -9.235 2.227 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.433 -10.114 0.694 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.782 -11.472 1.122 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.363 -11.367 0.076 1.00 0.00 H new ATOM 264 N PHE A 16 1.399 -3.476 5.684 1.00 0.00 N ATOM 265 CA PHE A 16 0.482 -2.404 6.078 1.00 0.00 C ATOM 266 C PHE A 16 -0.526 -2.206 4.956 1.00 0.00 C ATOM 267 O PHE A 16 -0.165 -2.200 3.772 1.00 0.00 O ATOM 268 CB PHE A 16 1.233 -1.084 6.436 1.00 0.00 C ATOM 269 CG PHE A 16 2.125 -0.476 5.343 1.00 0.00 C ATOM 270 CD1 PHE A 16 1.613 0.432 4.407 1.00 0.00 C ATOM 271 CD2 PHE A 16 3.484 -0.788 5.274 1.00 0.00 C ATOM 272 CE1 PHE A 16 2.424 0.986 3.437 1.00 0.00 C ATOM 273 CE2 PHE A 16 4.295 -0.227 4.303 1.00 0.00 C ATOM 274 CZ PHE A 16 3.765 0.662 3.389 1.00 0.00 C ATOM 0 H PHE A 16 1.962 -3.258 4.862 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.040 -2.691 6.991 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.491 -0.338 6.723 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.852 -1.272 7.313 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.568 0.703 4.445 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.909 -1.477 5.989 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.009 1.674 2.715 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.343 -0.485 4.260 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.400 1.104 2.636 1.00 0.00 H new ATOM 284 N ARG A 17 -1.792 -2.117 5.322 1.00 0.00 N ATOM 285 CA ARG A 17 -2.868 -1.819 4.389 1.00 0.00 C ATOM 286 C ARG A 17 -3.408 -0.428 4.670 1.00 0.00 C ATOM 287 O ARG A 17 -3.192 0.130 5.756 1.00 0.00 O ATOM 288 CB ARG A 17 -3.985 -2.889 4.473 1.00 0.00 C ATOM 289 CG ARG A 17 -4.712 -3.034 5.823 1.00 0.00 C ATOM 290 CD ARG A 17 -5.731 -4.186 5.782 1.00 0.00 C ATOM 291 NE ARG A 17 -6.310 -4.493 7.091 1.00 0.00 N ATOM 292 CZ ARG A 17 -6.933 -5.642 7.405 1.00 0.00 C ATOM 293 NH1 ARG A 17 -7.046 -6.625 6.513 1.00 0.00 N ATOM 294 NH2 ARG A 17 -7.435 -5.797 8.614 1.00 0.00 N ATOM 0 H ARG A 17 -2.107 -2.250 6.283 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.478 -1.843 3.371 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.729 -2.663 3.710 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.549 -3.855 4.217 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.984 -3.216 6.614 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.222 -2.102 6.067 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.532 -3.929 5.089 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.244 -5.079 5.389 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.235 -3.782 7.819 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.657 -6.512 5.577 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.522 -7.491 6.766 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.349 -5.049 9.302 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.910 -6.665 8.862 1.00 0.00 H new ATOM 308 N PHE A 18 -4.112 0.129 3.685 1.00 0.00 N ATOM 309 CA PHE A 18 -4.783 1.425 3.843 1.00 0.00 C ATOM 310 C PHE A 18 -6.278 1.199 3.680 1.00 0.00 C ATOM 311 O PHE A 18 -6.724 0.461 2.783 1.00 0.00 O ATOM 312 CB PHE A 18 -4.244 2.472 2.839 1.00 0.00 C ATOM 313 CG PHE A 18 -4.733 3.902 3.043 1.00 0.00 C ATOM 314 CD1 PHE A 18 -4.817 4.461 4.316 1.00 0.00 C ATOM 315 CD2 PHE A 18 -5.057 4.703 1.952 1.00 0.00 C ATOM 316 CE1 PHE A 18 -5.209 5.767 4.483 1.00 0.00 C ATOM 317 CE2 PHE A 18 -5.453 6.006 2.118 1.00 0.00 C ATOM 318 CZ PHE A 18 -5.526 6.540 3.383 1.00 0.00 C ATOM 0 H PHE A 18 -4.234 -0.296 2.766 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.579 1.832 4.833 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.155 2.470 2.891 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.516 2.155 1.832 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.572 3.862 5.180 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.996 4.291 0.956 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.269 6.190 5.475 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.706 6.610 1.259 1.00 0.00 H new ATOM 0 HZ PHE A 18 -5.832 7.567 3.517 1.00 0.00 H new ATOM 328 N LYS A 19 -7.033 1.795 4.597 1.00 0.00 N ATOM 329 CA LYS A 19 -8.481 1.654 4.672 1.00 0.00 C ATOM 330 C LYS A 19 -9.180 2.828 3.980 1.00 0.00 C ATOM 331 O LYS A 19 -8.532 3.737 3.444 1.00 0.00 O ATOM 332 CB LYS A 19 -8.872 1.554 6.167 1.00 0.00 C ATOM 333 CG LYS A 19 -8.200 0.362 6.885 1.00 0.00 C ATOM 334 CD LYS A 19 -8.602 -0.994 6.250 1.00 0.00 C ATOM 335 CE LYS A 19 -10.082 -1.338 6.489 1.00 0.00 C ATOM 336 NZ LYS A 19 -10.316 -1.764 7.886 1.00 0.00 N ATOM 0 H LYS A 19 -6.648 2.400 5.322 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.803 0.753 4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.595 2.479 6.673 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.955 1.458 6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.117 0.476 6.843 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.480 0.367 7.938 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.408 -0.962 5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.977 -1.785 6.663 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.701 -0.469 6.263 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.387 -2.133 5.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.213 -1.362 8.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.364 -2.802 7.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.536 -1.428 8.487 1.00 0.00 H new ATOM 350 N ALA A 20 -10.513 2.796 4.026 1.00 0.00 N ATOM 351 CA ALA A 20 -11.376 3.850 3.481 1.00 0.00 C ATOM 352 C ALA A 20 -12.493 4.147 4.488 1.00 0.00 C ATOM 353 O ALA A 20 -12.670 3.390 5.448 1.00 0.00 O ATOM 354 CB ALA A 20 -11.927 3.447 2.115 1.00 0.00 C ATOM 0 H ALA A 20 -11.033 2.027 4.449 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.797 4.761 3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.564 4.243 1.730 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.101 3.278 1.425 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.510 2.532 2.214 1.00 0.00 H new ATOM 360 N SER A 21 -13.198 5.279 4.296 1.00 0.00 N ATOM 361 CA SER A 21 -14.325 5.704 5.162 1.00 0.00 C ATOM 362 C SER A 21 -15.458 4.648 5.229 1.00 0.00 C ATOM 363 O SER A 21 -16.181 4.564 6.228 1.00 0.00 O ATOM 364 CB SER A 21 -14.875 7.052 4.655 1.00 0.00 C ATOM 365 OG SER A 21 -15.315 6.946 3.308 1.00 0.00 O ATOM 0 H SER A 21 -13.004 5.929 3.534 1.00 0.00 H new ATOM 0 HA SER A 21 -13.942 5.813 6.177 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.702 7.373 5.288 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.101 7.816 4.730 1.00 0.00 H new ATOM 0 HG SER A 21 -15.661 7.812 3.008 1.00 0.00 H new ATOM 371 N ASN A 22 -15.586 3.842 4.158 1.00 0.00 N ATOM 372 CA ASN A 22 -16.569 2.731 4.070 1.00 0.00 C ATOM 373 C ASN A 22 -16.119 1.503 4.908 1.00 0.00 C ATOM 374 O ASN A 22 -16.887 0.556 5.091 1.00 0.00 O ATOM 375 CB ASN A 22 -16.748 2.343 2.572 1.00 0.00 C ATOM 376 CG ASN A 22 -17.800 1.263 2.288 1.00 0.00 C ATOM 377 OD1 ASN A 22 -18.801 1.145 2.989 1.00 0.00 O ATOM 378 ND2 ASN A 22 -17.592 0.480 1.236 1.00 0.00 N ATOM 0 H ASN A 22 -15.010 3.939 3.322 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.521 3.064 4.483 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.014 3.240 2.012 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -15.788 2.000 2.187 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -18.272 -0.240 0.994 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -16.752 0.599 0.670 1.00 0.00 H new ATOM 385 N GLY A 23 -14.882 1.556 5.435 1.00 0.00 N ATOM 386 CA GLY A 23 -14.257 0.423 6.121 1.00 0.00 C ATOM 387 C GLY A 23 -13.873 -0.673 5.147 1.00 0.00 C ATOM 388 O GLY A 23 -14.064 -1.863 5.415 1.00 0.00 O ATOM 0 H GLY A 23 -14.292 2.387 5.394 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.370 0.764 6.655 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.944 0.024 6.867 1.00 0.00 H new ATOM 392 N GLU A 24 -13.320 -0.249 4.006 1.00 0.00 N ATOM 393 CA GLU A 24 -12.897 -1.138 2.918 1.00 0.00 C ATOM 394 C GLU A 24 -11.397 -0.917 2.678 1.00 0.00 C ATOM 395 O GLU A 24 -10.914 0.223 2.739 1.00 0.00 O ATOM 396 CB GLU A 24 -13.729 -0.861 1.627 1.00 0.00 C ATOM 397 CG GLU A 24 -13.518 0.539 1.022 1.00 0.00 C ATOM 398 CD GLU A 24 -14.367 0.847 -0.219 1.00 0.00 C ATOM 399 OE1 GLU A 24 -14.332 0.064 -1.184 1.00 0.00 O ATOM 400 OE2 GLU A 24 -15.067 1.883 -0.239 1.00 0.00 O ATOM 0 H GLU A 24 -13.151 0.737 3.809 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.072 -2.179 3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.473 -1.610 0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.787 -0.988 1.857 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.736 1.285 1.786 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.466 0.650 0.760 1.00 0.00 H new ATOM 407 N THR A 25 -10.660 -2.006 2.459 1.00 0.00 N ATOM 408 CA THR A 25 -9.233 -1.942 2.131 1.00 0.00 C ATOM 409 C THR A 25 -9.055 -1.822 0.608 1.00 0.00 C ATOM 410 O THR A 25 -9.742 -2.497 -0.168 1.00 0.00 O ATOM 411 CB THR A 25 -8.483 -3.195 2.668 1.00 0.00 C ATOM 412 OG1 THR A 25 -8.649 -3.302 4.086 1.00 0.00 O ATOM 413 CG2 THR A 25 -6.982 -3.176 2.329 1.00 0.00 C ATOM 0 H THR A 25 -11.032 -2.955 2.503 1.00 0.00 H new ATOM 0 HA THR A 25 -8.804 -1.063 2.612 1.00 0.00 H new ATOM 0 HB THR A 25 -8.923 -4.061 2.173 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.528 -4.235 4.360 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.508 -4.073 2.727 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.854 -3.147 1.247 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.520 -2.294 2.772 1.00 0.00 H new ATOM 421 N MET A 26 -8.118 -0.964 0.208 1.00 0.00 N ATOM 422 CA MET A 26 -7.838 -0.660 -1.205 1.00 0.00 C ATOM 423 C MET A 26 -6.422 -1.117 -1.623 1.00 0.00 C ATOM 424 O MET A 26 -6.124 -1.146 -2.818 1.00 0.00 O ATOM 425 CB MET A 26 -8.126 0.845 -1.495 1.00 0.00 C ATOM 426 CG MET A 26 -7.830 1.803 -0.332 1.00 0.00 C ATOM 427 SD MET A 26 -6.118 1.751 0.188 1.00 0.00 S ATOM 428 CE MET A 26 -5.355 2.461 -1.242 1.00 0.00 C ATOM 0 H MET A 26 -7.522 -0.452 0.859 1.00 0.00 H new ATOM 0 HA MET A 26 -8.515 -1.238 -1.834 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.534 1.152 -2.357 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.174 0.951 -1.774 1.00 0.00 H new ATOM 0 HG2 MET A 26 -8.084 2.820 -0.631 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.470 1.550 0.513 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.333 2.093 -1.329 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.919 2.181 -2.132 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.343 3.547 -1.147 1.00 0.00 H new ATOM 438 N PHE A 27 -5.558 -1.486 -0.647 1.00 0.00 N ATOM 439 CA PHE A 27 -4.332 -2.279 -0.932 1.00 0.00 C ATOM 440 C PHE A 27 -3.770 -2.914 0.348 1.00 0.00 C ATOM 441 O PHE A 27 -3.986 -2.416 1.456 1.00 0.00 O ATOM 442 CB PHE A 27 -3.193 -1.456 -1.640 1.00 0.00 C ATOM 443 CG PHE A 27 -2.302 -0.599 -0.721 1.00 0.00 C ATOM 444 CD1 PHE A 27 -2.755 0.598 -0.222 1.00 0.00 C ATOM 445 CD2 PHE A 27 -1.021 -1.007 -0.352 1.00 0.00 C ATOM 446 CE1 PHE A 27 -1.982 1.383 0.606 1.00 0.00 C ATOM 447 CE2 PHE A 27 -0.245 -0.226 0.483 1.00 0.00 C ATOM 448 CZ PHE A 27 -0.725 0.969 0.965 1.00 0.00 C ATOM 0 H PHE A 27 -5.683 -1.251 0.338 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.653 -3.055 -1.627 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.555 -2.152 -2.184 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.653 -0.801 -2.380 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.747 0.934 -0.486 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.631 -1.943 -0.723 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.366 2.324 0.972 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.745 -0.556 0.759 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.118 1.576 1.620 1.00 0.00 H new ATOM 458 N SER A 28 -2.974 -3.963 0.108 1.00 0.00 N ATOM 459 CA SER A 28 -2.120 -4.637 1.100 1.00 0.00 C ATOM 460 C SER A 28 -0.680 -4.511 0.577 1.00 0.00 C ATOM 461 O SER A 28 -0.453 -4.732 -0.608 1.00 0.00 O ATOM 462 CB SER A 28 -2.548 -6.117 1.265 1.00 0.00 C ATOM 463 OG SER A 28 -1.747 -6.791 2.222 1.00 0.00 O ATOM 0 H SER A 28 -2.903 -4.384 -0.818 1.00 0.00 H new ATOM 0 HA SER A 28 -2.208 -4.185 2.088 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.594 -6.162 1.569 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.474 -6.627 0.304 1.00 0.00 H new ATOM 0 HG SER A 28 -2.138 -6.679 3.113 1.00 0.00 H new ATOM 469 N SER A 29 0.295 -4.110 1.414 1.00 0.00 N ATOM 470 CA SER A 29 1.652 -3.808 0.912 1.00 0.00 C ATOM 471 C SER A 29 2.609 -4.982 1.122 1.00 0.00 C ATOM 472 O SER A 29 2.248 -6.029 1.657 1.00 0.00 O ATOM 473 CB SER A 29 2.226 -2.546 1.590 1.00 0.00 C ATOM 474 OG SER A 29 2.448 -2.753 2.968 1.00 0.00 O ATOM 0 H SER A 29 0.175 -3.989 2.420 1.00 0.00 H new ATOM 0 HA SER A 29 1.559 -3.628 -0.159 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.163 -2.267 1.108 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.537 -1.713 1.453 1.00 0.00 H new ATOM 0 HG SER A 29 2.720 -1.909 3.386 1.00 0.00 H new ATOM 480 N GLU A 30 3.833 -4.755 0.655 1.00 0.00 N ATOM 481 CA GLU A 30 5.009 -5.577 0.922 1.00 0.00 C ATOM 482 C GLU A 30 5.414 -5.481 2.413 1.00 0.00 C ATOM 483 O GLU A 30 5.997 -6.413 2.968 1.00 0.00 O ATOM 484 CB GLU A 30 6.135 -5.038 0.006 1.00 0.00 C ATOM 485 CG GLU A 30 7.528 -5.646 0.180 1.00 0.00 C ATOM 486 CD GLU A 30 8.572 -4.971 -0.721 1.00 0.00 C ATOM 487 OE1 GLU A 30 8.711 -3.722 -0.646 1.00 0.00 O ATOM 488 OE2 GLU A 30 9.263 -5.668 -1.492 1.00 0.00 O ATOM 0 H GLU A 30 4.042 -3.958 0.054 1.00 0.00 H new ATOM 0 HA GLU A 30 4.811 -6.629 0.718 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.828 -5.186 -1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.214 -3.962 0.164 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.835 -5.554 1.222 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.489 -6.711 -0.047 1.00 0.00 H new ATOM 495 N GLY A 31 5.105 -4.317 3.042 1.00 0.00 N ATOM 496 CA GLY A 31 5.553 -3.990 4.407 1.00 0.00 C ATOM 497 C GLY A 31 6.999 -3.501 4.482 1.00 0.00 C ATOM 498 O GLY A 31 7.443 -3.057 5.551 1.00 0.00 O ATOM 0 H GLY A 31 4.539 -3.585 2.612 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.898 -3.223 4.820 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.445 -4.874 5.036 1.00 0.00 H new ATOM 502 N TYR A 32 7.726 -3.658 3.349 1.00 0.00 N ATOM 503 CA TYR A 32 9.097 -3.173 3.118 1.00 0.00 C ATOM 504 C TYR A 32 10.128 -4.135 3.749 1.00 0.00 C ATOM 505 O TYR A 32 10.952 -4.718 3.035 1.00 0.00 O ATOM 506 CB TYR A 32 9.295 -1.703 3.600 1.00 0.00 C ATOM 507 CG TYR A 32 10.596 -1.046 3.117 1.00 0.00 C ATOM 508 CD1 TYR A 32 10.861 -0.927 1.750 1.00 0.00 C ATOM 509 CD2 TYR A 32 11.549 -0.549 4.013 1.00 0.00 C ATOM 510 CE1 TYR A 32 12.019 -0.340 1.298 1.00 0.00 C ATOM 511 CE2 TYR A 32 12.710 0.042 3.560 1.00 0.00 C ATOM 512 CZ TYR A 32 12.940 0.145 2.204 1.00 0.00 C ATOM 513 OH TYR A 32 14.097 0.736 1.750 1.00 0.00 O ATOM 0 H TYR A 32 7.350 -4.149 2.538 1.00 0.00 H new ATOM 0 HA TYR A 32 9.265 -3.161 2.041 1.00 0.00 H new ATOM 0 HB2 TYR A 32 8.451 -1.104 3.257 1.00 0.00 H new ATOM 0 HB3 TYR A 32 9.276 -1.685 4.690 1.00 0.00 H new ATOM 0 HD1 TYR A 32 10.143 -1.303 1.036 1.00 0.00 H new ATOM 0 HD2 TYR A 32 11.373 -0.629 5.075 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.207 -0.259 0.238 1.00 0.00 H new ATOM 0 HE2 TYR A 32 13.436 0.422 4.264 1.00 0.00 H new ATOM 0 HH TYR A 32 14.638 1.025 2.514 1.00 0.00 H new ATOM 523 N LYS A 33 10.060 -4.317 5.083 1.00 0.00 N ATOM 524 CA LYS A 33 10.984 -5.208 5.820 1.00 0.00 C ATOM 525 C LYS A 33 10.353 -5.686 7.144 1.00 0.00 C ATOM 526 O LYS A 33 9.992 -6.850 7.286 1.00 0.00 O ATOM 527 CB LYS A 33 12.342 -4.484 6.089 1.00 0.00 C ATOM 528 CG LYS A 33 13.391 -5.315 6.873 1.00 0.00 C ATOM 529 CD LYS A 33 13.843 -6.594 6.131 1.00 0.00 C ATOM 530 CE LYS A 33 14.557 -6.284 4.807 1.00 0.00 C ATOM 531 NZ LYS A 33 14.964 -7.520 4.090 1.00 0.00 N ATOM 0 H LYS A 33 9.371 -3.856 5.677 1.00 0.00 H new ATOM 0 HA LYS A 33 11.174 -6.085 5.202 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.775 -4.192 5.132 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.142 -3.566 6.642 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.263 -4.692 7.071 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.973 -5.594 7.840 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.510 -7.167 6.775 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.974 -7.222 5.933 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.898 -5.696 4.169 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.438 -5.673 5.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.442 -7.265 3.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 15.614 -8.070 4.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.121 -8.092 3.878 1.00 0.00 H new ATOM 545 N ALA A 34 10.195 -4.757 8.087 1.00 0.00 N ATOM 546 CA ALA A 34 9.781 -5.044 9.479 1.00 0.00 C ATOM 547 C ALA A 34 8.677 -4.060 9.887 1.00 0.00 C ATOM 548 O ALA A 34 8.206 -3.300 9.034 1.00 0.00 O ATOM 549 CB ALA A 34 11.004 -4.940 10.404 1.00 0.00 C ATOM 0 H ALA A 34 10.351 -3.764 7.912 1.00 0.00 H new ATOM 0 HA ALA A 34 9.383 -6.055 9.560 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.703 -5.151 11.430 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.759 -5.662 10.092 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.419 -3.934 10.347 1.00 0.00 H new ATOM 555 N LYS A 35 8.258 -4.059 11.177 1.00 0.00 N ATOM 556 CA LYS A 35 7.213 -3.138 11.665 1.00 0.00 C ATOM 557 C LYS A 35 7.745 -1.701 11.651 1.00 0.00 C ATOM 558 O LYS A 35 7.104 -0.819 11.102 1.00 0.00 O ATOM 559 CB LYS A 35 6.690 -3.564 13.089 1.00 0.00 C ATOM 560 CG LYS A 35 7.678 -3.436 14.295 1.00 0.00 C ATOM 561 CD LYS A 35 7.533 -2.115 15.109 1.00 0.00 C ATOM 562 CE LYS A 35 6.135 -1.925 15.740 1.00 0.00 C ATOM 563 NZ LYS A 35 6.068 -0.700 16.580 1.00 0.00 N ATOM 0 H LYS A 35 8.629 -4.685 11.892 1.00 0.00 H new ATOM 0 HA LYS A 35 6.354 -3.190 10.996 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.807 -2.967 13.314 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.366 -4.603 13.030 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.524 -4.281 14.966 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.699 -3.508 13.921 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.284 -2.101 15.899 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.744 -1.270 14.454 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.385 -1.866 14.951 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.890 -2.796 16.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.114 -0.609 16.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.766 -0.767 17.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.277 0.134 15.995 1.00 0.00 H new ATOM 577 N ALA A 36 8.955 -1.496 12.210 1.00 0.00 N ATOM 578 CA ALA A 36 9.594 -0.170 12.289 1.00 0.00 C ATOM 579 C ALA A 36 9.840 0.397 10.887 1.00 0.00 C ATOM 580 O ALA A 36 9.627 1.581 10.643 1.00 0.00 O ATOM 581 CB ALA A 36 10.906 -0.247 13.086 1.00 0.00 C ATOM 0 H ALA A 36 9.514 -2.245 12.618 1.00 0.00 H new ATOM 0 HA ALA A 36 8.918 0.505 12.813 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.362 0.742 13.133 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.698 -0.599 14.097 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.590 -0.939 12.595 1.00 0.00 H new ATOM 587 N SER A 37 10.235 -0.495 9.970 1.00 0.00 N ATOM 588 CA SER A 37 10.494 -0.157 8.564 1.00 0.00 C ATOM 589 C SER A 37 9.174 0.146 7.825 1.00 0.00 C ATOM 590 O SER A 37 9.153 0.938 6.876 1.00 0.00 O ATOM 591 CB SER A 37 11.221 -1.331 7.886 1.00 0.00 C ATOM 592 OG SER A 37 12.259 -1.841 8.705 1.00 0.00 O ATOM 0 H SER A 37 10.385 -1.481 10.185 1.00 0.00 H new ATOM 0 HA SER A 37 11.120 0.735 8.522 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.507 -2.124 7.666 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.636 -1.002 6.933 1.00 0.00 H new ATOM 0 HG SER A 37 12.971 -2.207 8.140 1.00 0.00 H new ATOM 598 N ALA A 38 8.082 -0.505 8.281 1.00 0.00 N ATOM 599 CA ALA A 38 6.731 -0.291 7.740 1.00 0.00 C ATOM 600 C ALA A 38 6.215 1.102 8.135 1.00 0.00 C ATOM 601 O ALA A 38 5.630 1.789 7.304 1.00 0.00 O ATOM 602 CB ALA A 38 5.758 -1.386 8.205 1.00 0.00 C ATOM 0 H ALA A 38 8.117 -1.192 9.034 1.00 0.00 H new ATOM 0 HA ALA A 38 6.790 -0.348 6.653 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.770 -1.196 7.786 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.115 -2.358 7.866 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.698 -1.381 9.293 1.00 0.00 H new ATOM 608 N ILE A 39 6.430 1.505 9.414 1.00 0.00 N ATOM 609 CA ILE A 39 6.163 2.880 9.892 1.00 0.00 C ATOM 610 C ILE A 39 6.949 3.906 9.050 1.00 0.00 C ATOM 611 O ILE A 39 6.369 4.879 8.585 1.00 0.00 O ATOM 612 CB ILE A 39 6.501 3.063 11.448 1.00 0.00 C ATOM 613 CG1 ILE A 39 5.334 2.551 12.371 1.00 0.00 C ATOM 614 CG2 ILE A 39 6.866 4.527 11.820 1.00 0.00 C ATOM 615 CD1 ILE A 39 5.186 1.050 12.487 1.00 0.00 C ATOM 0 H ILE A 39 6.792 0.885 10.138 1.00 0.00 H new ATOM 0 HA ILE A 39 5.094 3.058 9.771 1.00 0.00 H new ATOM 0 HB ILE A 39 7.382 2.446 11.626 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.483 2.959 13.371 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.396 2.960 11.996 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.085 4.588 12.886 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.742 4.839 11.252 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.028 5.182 11.584 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.351 0.817 13.148 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.998 0.626 11.501 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.102 0.625 12.896 1.00 0.00 H new ATOM 627 N HIS A 40 8.264 3.651 8.847 1.00 0.00 N ATOM 628 CA HIS A 40 9.167 4.560 8.091 1.00 0.00 C ATOM 629 C HIS A 40 8.647 4.771 6.659 1.00 0.00 C ATOM 630 O HIS A 40 8.661 5.903 6.121 1.00 0.00 O ATOM 631 CB HIS A 40 10.617 4.007 8.055 1.00 0.00 C ATOM 632 CG HIS A 40 11.276 3.858 9.402 1.00 0.00 C ATOM 633 ND1 HIS A 40 12.406 3.106 9.591 1.00 0.00 N ATOM 634 CD2 HIS A 40 10.957 4.357 10.622 1.00 0.00 C ATOM 635 CE1 HIS A 40 12.749 3.135 10.859 1.00 0.00 C ATOM 636 NE2 HIS A 40 11.889 3.889 11.504 1.00 0.00 N ATOM 0 H HIS A 40 8.729 2.815 9.200 1.00 0.00 H new ATOM 0 HA HIS A 40 9.180 5.520 8.607 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.607 3.034 7.563 1.00 0.00 H new ATOM 0 HB3 HIS A 40 11.227 4.669 7.440 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.123 5.003 10.853 1.00 0.00 H new ATOM 0 HE1 HIS A 40 13.595 2.625 11.296 1.00 0.00 H new ATOM 0 HE2 HIS A 40 11.913 4.093 12.503 1.00 0.00 H new ATOM 645 N ALA A 41 8.137 3.676 6.069 1.00 0.00 N ATOM 646 CA ALA A 41 7.499 3.699 4.760 1.00 0.00 C ATOM 647 C ALA A 41 6.278 4.620 4.816 1.00 0.00 C ATOM 648 O ALA A 41 6.185 5.581 4.065 1.00 0.00 O ATOM 649 CB ALA A 41 7.112 2.271 4.337 1.00 0.00 C ATOM 0 H ALA A 41 8.161 2.750 6.497 1.00 0.00 H new ATOM 0 HA ALA A 41 8.191 4.086 4.012 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.636 2.298 3.357 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.007 1.651 4.288 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.419 1.851 5.066 1.00 0.00 H new ATOM 655 N ILE A 42 5.405 4.374 5.793 1.00 0.00 N ATOM 656 CA ILE A 42 4.196 5.182 5.998 1.00 0.00 C ATOM 657 C ILE A 42 4.529 6.665 6.291 1.00 0.00 C ATOM 658 O ILE A 42 3.745 7.552 5.959 1.00 0.00 O ATOM 659 CB ILE A 42 3.295 4.563 7.112 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.830 3.145 6.665 1.00 0.00 C ATOM 661 CG2 ILE A 42 2.073 5.464 7.433 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.177 2.348 7.749 1.00 0.00 C ATOM 0 H ILE A 42 5.512 3.613 6.464 1.00 0.00 H new ATOM 0 HA ILE A 42 3.633 5.168 5.065 1.00 0.00 H new ATOM 0 HB ILE A 42 3.882 4.486 8.027 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.132 3.248 5.834 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.692 2.592 6.291 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.472 4.997 8.213 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.420 6.439 7.776 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.468 5.590 6.535 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.882 1.374 7.358 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.878 2.211 8.573 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.294 2.877 8.108 1.00 0.00 H new ATOM 674 N GLU A 43 5.733 6.934 6.826 1.00 0.00 N ATOM 675 CA GLU A 43 6.175 8.310 7.116 1.00 0.00 C ATOM 676 C GLU A 43 6.367 9.095 5.811 1.00 0.00 C ATOM 677 O GLU A 43 6.123 10.301 5.781 1.00 0.00 O ATOM 678 CB GLU A 43 7.452 8.341 7.992 1.00 0.00 C ATOM 679 CG GLU A 43 7.225 7.848 9.434 1.00 0.00 C ATOM 680 CD GLU A 43 8.461 7.993 10.327 1.00 0.00 C ATOM 681 OE1 GLU A 43 8.721 9.110 10.815 1.00 0.00 O ATOM 682 OE2 GLU A 43 9.178 7.000 10.544 1.00 0.00 O ATOM 0 H GLU A 43 6.417 6.217 7.066 1.00 0.00 H new ATOM 0 HA GLU A 43 5.391 8.795 7.697 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.219 7.725 7.523 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.837 9.360 8.022 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.399 8.406 9.875 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.924 6.801 9.409 1.00 0.00 H new ATOM 689 N SER A 44 6.771 8.390 4.727 1.00 0.00 N ATOM 690 CA SER A 44 6.759 8.961 3.353 1.00 0.00 C ATOM 691 C SER A 44 5.349 9.397 2.926 1.00 0.00 C ATOM 692 O SER A 44 5.189 10.435 2.258 1.00 0.00 O ATOM 693 CB SER A 44 7.295 7.944 2.323 1.00 0.00 C ATOM 694 OG SER A 44 8.712 7.936 2.287 1.00 0.00 O ATOM 0 H SER A 44 7.108 7.429 4.774 1.00 0.00 H new ATOM 0 HA SER A 44 7.408 9.836 3.378 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.931 6.947 2.572 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.907 8.188 1.334 1.00 0.00 H new ATOM 0 HG SER A 44 9.016 7.950 1.355 1.00 0.00 H new ATOM 700 N ILE A 45 4.333 8.591 3.307 1.00 0.00 N ATOM 701 CA ILE A 45 2.941 8.844 2.907 1.00 0.00 C ATOM 702 C ILE A 45 2.456 10.139 3.589 1.00 0.00 C ATOM 703 O ILE A 45 1.806 10.983 2.965 1.00 0.00 O ATOM 704 CB ILE A 45 1.935 7.646 3.241 1.00 0.00 C ATOM 705 CG1 ILE A 45 2.585 6.241 3.073 1.00 0.00 C ATOM 706 CG2 ILE A 45 0.709 7.729 2.316 1.00 0.00 C ATOM 707 CD1 ILE A 45 2.952 5.861 1.663 1.00 0.00 C ATOM 0 H ILE A 45 4.456 7.763 3.890 1.00 0.00 H new ATOM 0 HA ILE A 45 2.937 8.939 1.821 1.00 0.00 H new ATOM 0 HB ILE A 45 1.651 7.759 4.287 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.484 6.200 3.688 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.897 5.492 3.465 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.025 6.912 2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.201 8.681 2.469 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.031 7.652 1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.396 4.866 1.658 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.057 5.862 1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.669 6.580 1.267 1.00 0.00 H new ATOM 719 N LYS A 46 2.849 10.306 4.871 1.00 0.00 N ATOM 720 CA LYS A 46 2.446 11.454 5.722 1.00 0.00 C ATOM 721 C LYS A 46 2.953 12.814 5.209 1.00 0.00 C ATOM 722 O LYS A 46 2.436 13.868 5.598 1.00 0.00 O ATOM 723 CB LYS A 46 2.923 11.250 7.198 1.00 0.00 C ATOM 724 CG LYS A 46 2.647 9.850 7.813 1.00 0.00 C ATOM 725 CD LYS A 46 1.225 9.327 7.520 1.00 0.00 C ATOM 726 CE LYS A 46 0.126 10.273 8.016 1.00 0.00 C ATOM 727 NZ LYS A 46 -0.052 10.214 9.484 1.00 0.00 N ATOM 0 H LYS A 46 3.459 9.644 5.351 1.00 0.00 H new ATOM 0 HA LYS A 46 1.357 11.478 5.677 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.995 11.440 7.242 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.440 12.001 7.823 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.376 9.139 7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.794 9.899 8.892 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.112 9.179 6.446 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.098 8.352 7.991 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.371 11.294 7.724 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.815 10.019 7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.968 9.775 9.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.713 9.649 9.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.026 11.177 9.876 1.00 0.00 H new ATOM 741 N ARG A 47 3.970 12.766 4.358 1.00 0.00 N ATOM 742 CA ARG A 47 4.666 13.969 3.857 1.00 0.00 C ATOM 743 C ARG A 47 3.825 14.749 2.817 1.00 0.00 C ATOM 744 O ARG A 47 3.563 15.945 3.002 1.00 0.00 O ATOM 745 CB ARG A 47 6.053 13.595 3.260 1.00 0.00 C ATOM 746 CG ARG A 47 7.032 12.928 4.240 1.00 0.00 C ATOM 747 CD ARG A 47 7.357 13.802 5.459 1.00 0.00 C ATOM 748 NE ARG A 47 8.107 15.024 5.115 1.00 0.00 N ATOM 749 CZ ARG A 47 8.815 15.762 5.990 1.00 0.00 C ATOM 750 NH1 ARG A 47 8.891 15.431 7.275 1.00 0.00 N ATOM 751 NH2 ARG A 47 9.457 16.838 5.568 1.00 0.00 N ATOM 0 H ARG A 47 4.345 11.893 3.988 1.00 0.00 H new ATOM 0 HA ARG A 47 4.813 14.627 4.713 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.897 12.924 2.415 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.517 14.500 2.868 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.608 11.984 4.581 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.957 12.691 3.714 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.428 14.082 5.955 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.936 13.217 6.173 1.00 0.00 H new ATOM 0 HE ARG A 47 8.088 15.333 4.143 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.406 14.601 7.617 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.434 16.007 7.919 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.414 17.105 4.584 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.995 17.402 6.226 1.00 0.00 H new ATOM 765 N ASN A 48 3.399 14.056 1.739 1.00 0.00 N ATOM 766 CA ASN A 48 2.788 14.729 0.556 1.00 0.00 C ATOM 767 C ASN A 48 2.085 13.727 -0.400 1.00 0.00 C ATOM 768 O ASN A 48 1.773 14.066 -1.530 1.00 0.00 O ATOM 769 CB ASN A 48 3.875 15.594 -0.187 1.00 0.00 C ATOM 770 CG ASN A 48 3.343 16.510 -1.302 1.00 0.00 C ATOM 771 OD1 ASN A 48 2.930 17.644 -1.061 1.00 0.00 O ATOM 772 ND2 ASN A 48 3.358 16.021 -2.532 1.00 0.00 N ATOM 0 H ASN A 48 3.463 13.041 1.656 1.00 0.00 H new ATOM 0 HA ASN A 48 2.002 15.394 0.914 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.390 16.210 0.550 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.618 14.922 -0.616 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.021 16.588 -3.310 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.706 15.077 -2.701 1.00 0.00 H new ATOM 779 N SER A 49 1.797 12.505 0.066 1.00 0.00 N ATOM 780 CA SER A 49 1.230 11.433 -0.794 1.00 0.00 C ATOM 781 C SER A 49 -0.149 11.810 -1.388 1.00 0.00 C ATOM 782 O SER A 49 -0.451 11.475 -2.542 1.00 0.00 O ATOM 783 CB SER A 49 1.119 10.144 0.004 1.00 0.00 C ATOM 784 OG SER A 49 0.948 9.020 -0.825 1.00 0.00 O ATOM 0 H SER A 49 1.944 12.224 1.035 1.00 0.00 H new ATOM 0 HA SER A 49 1.910 11.297 -1.635 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.017 10.014 0.609 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.278 10.217 0.693 1.00 0.00 H new ATOM 0 HG SER A 49 1.167 9.259 -1.750 1.00 0.00 H new ATOM 790 N ALA A 50 -0.965 12.518 -0.587 1.00 0.00 N ATOM 791 CA ALA A 50 -2.271 13.035 -1.023 1.00 0.00 C ATOM 792 C ALA A 50 -2.151 14.066 -2.173 1.00 0.00 C ATOM 793 O ALA A 50 -3.110 14.286 -2.918 1.00 0.00 O ATOM 794 CB ALA A 50 -3.027 13.609 0.182 1.00 0.00 C ATOM 0 H ALA A 50 -0.736 12.747 0.380 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.843 12.203 -1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.994 13.991 -0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.178 12.825 0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.447 14.419 0.623 1.00 0.00 H new ATOM 800 N GLY A 51 -0.965 14.691 -2.304 1.00 0.00 N ATOM 801 CA GLY A 51 -0.660 15.610 -3.414 1.00 0.00 C ATOM 802 C GLY A 51 0.344 15.045 -4.419 1.00 0.00 C ATOM 803 O GLY A 51 0.610 15.678 -5.443 1.00 0.00 O ATOM 0 H GLY A 51 -0.195 14.573 -1.645 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.585 15.855 -3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.268 16.541 -3.006 1.00 0.00 H new ATOM 807 N ALA A 52 0.915 13.860 -4.108 1.00 0.00 N ATOM 808 CA ALA A 52 1.915 13.175 -4.957 1.00 0.00 C ATOM 809 C ALA A 52 1.308 12.757 -6.299 1.00 0.00 C ATOM 810 O ALA A 52 0.193 12.270 -6.334 1.00 0.00 O ATOM 811 CB ALA A 52 2.465 11.944 -4.219 1.00 0.00 C ATOM 0 H ALA A 52 0.693 13.348 -3.254 1.00 0.00 H new ATOM 0 HA ALA A 52 2.729 13.871 -5.159 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.201 11.442 -4.847 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.937 12.259 -3.288 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.648 11.257 -3.998 1.00 0.00 H new ATOM 817 N ASP A 53 2.058 12.937 -7.392 1.00 0.00 N ATOM 818 CA ASP A 53 1.580 12.619 -8.754 1.00 0.00 C ATOM 819 C ASP A 53 1.375 11.089 -8.918 1.00 0.00 C ATOM 820 O ASP A 53 1.995 10.297 -8.215 1.00 0.00 O ATOM 821 CB ASP A 53 2.580 13.192 -9.799 1.00 0.00 C ATOM 822 CG ASP A 53 2.135 13.033 -11.271 1.00 0.00 C ATOM 823 OD1 ASP A 53 0.961 13.340 -11.593 1.00 0.00 O ATOM 824 OD2 ASP A 53 2.949 12.611 -12.115 1.00 0.00 O ATOM 0 H ASP A 53 3.009 13.305 -7.365 1.00 0.00 H new ATOM 0 HA ASP A 53 0.610 13.087 -8.922 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.734 14.251 -9.592 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.543 12.699 -9.669 1.00 0.00 H new ATOM 829 N THR A 54 0.446 10.694 -9.789 1.00 0.00 N ATOM 830 CA THR A 54 0.132 9.276 -10.057 1.00 0.00 C ATOM 831 C THR A 54 0.504 8.938 -11.514 1.00 0.00 C ATOM 832 O THR A 54 -0.033 9.537 -12.447 1.00 0.00 O ATOM 833 CB THR A 54 -1.384 8.990 -9.781 1.00 0.00 C ATOM 834 OG1 THR A 54 -1.723 9.415 -8.442 1.00 0.00 O ATOM 835 CG2 THR A 54 -1.754 7.503 -9.953 1.00 0.00 C ATOM 0 H THR A 54 -0.117 11.346 -10.335 1.00 0.00 H new ATOM 0 HA THR A 54 0.715 8.642 -9.389 1.00 0.00 H new ATOM 0 HB THR A 54 -1.954 9.554 -10.520 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.085 9.030 -7.805 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.816 7.366 -9.749 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.538 7.190 -10.974 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.170 6.900 -9.257 1.00 0.00 H new ATOM 843 N VAL A 55 1.440 7.987 -11.693 1.00 0.00 N ATOM 844 CA VAL A 55 2.039 7.637 -13.002 1.00 0.00 C ATOM 845 C VAL A 55 1.929 6.124 -13.224 1.00 0.00 C ATOM 846 O VAL A 55 2.372 5.368 -12.363 1.00 0.00 O ATOM 847 CB VAL A 55 3.571 8.018 -13.045 1.00 0.00 C ATOM 848 CG1 VAL A 55 4.201 7.744 -14.429 1.00 0.00 C ATOM 849 CG2 VAL A 55 3.810 9.475 -12.604 1.00 0.00 C ATOM 0 H VAL A 55 1.809 7.430 -10.923 1.00 0.00 H new ATOM 0 HA VAL A 55 1.503 8.189 -13.774 1.00 0.00 H new ATOM 0 HB VAL A 55 4.073 7.369 -12.328 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.255 8.021 -14.410 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.109 6.684 -14.667 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.684 8.333 -15.187 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.876 9.698 -12.647 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.271 10.150 -13.269 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.452 9.609 -11.583 1.00 0.00 H new ATOM 859 N ASP A 56 1.350 5.679 -14.358 1.00 0.00 N ATOM 860 CA ASP A 56 1.353 4.246 -14.734 1.00 0.00 C ATOM 861 C ASP A 56 2.398 3.981 -15.843 1.00 0.00 C ATOM 862 O ASP A 56 2.250 4.404 -16.991 1.00 0.00 O ATOM 863 CB ASP A 56 -0.070 3.742 -15.125 1.00 0.00 C ATOM 864 CG ASP A 56 -0.610 4.335 -16.429 1.00 0.00 C ATOM 865 OD1 ASP A 56 -0.829 5.562 -16.486 1.00 0.00 O ATOM 866 OD2 ASP A 56 -0.802 3.585 -17.404 1.00 0.00 O ATOM 0 H ASP A 56 0.876 6.286 -15.027 1.00 0.00 H new ATOM 0 HA ASP A 56 1.646 3.666 -13.859 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.046 2.656 -15.215 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.762 3.980 -14.317 1.00 0.00 H new ATOM 871 N LEU A 57 3.483 3.310 -15.447 1.00 0.00 N ATOM 872 CA LEU A 57 4.590 2.902 -16.330 1.00 0.00 C ATOM 873 C LEU A 57 4.188 1.713 -17.237 1.00 0.00 C ATOM 874 O LEU A 57 4.832 1.473 -18.262 1.00 0.00 O ATOM 875 CB LEU A 57 5.837 2.501 -15.477 1.00 0.00 C ATOM 876 CG LEU A 57 6.577 3.630 -14.678 1.00 0.00 C ATOM 877 CD1 LEU A 57 7.119 4.713 -15.617 1.00 0.00 C ATOM 878 CD2 LEU A 57 5.693 4.246 -13.579 1.00 0.00 C ATOM 0 H LEU A 57 3.624 3.026 -14.478 1.00 0.00 H new ATOM 0 HA LEU A 57 4.833 3.753 -16.967 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.523 1.739 -14.764 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.562 2.034 -16.144 1.00 0.00 H new ATOM 0 HG LEU A 57 7.423 3.157 -14.179 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.626 5.481 -15.033 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.823 4.267 -16.319 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.293 5.163 -16.168 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.251 5.022 -13.055 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.802 4.682 -14.031 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.399 3.471 -12.872 1.00 0.00 H new ATOM 890 N THR A 58 3.115 0.981 -16.864 1.00 0.00 N ATOM 891 CA THR A 58 2.719 -0.269 -17.553 1.00 0.00 C ATOM 892 C THR A 58 1.802 0.009 -18.766 1.00 0.00 C ATOM 893 O THR A 58 1.642 -0.862 -19.634 1.00 0.00 O ATOM 894 CB THR A 58 2.024 -1.268 -16.565 1.00 0.00 C ATOM 895 OG1 THR A 58 1.714 -2.506 -17.220 1.00 0.00 O ATOM 896 CG2 THR A 58 0.743 -0.690 -15.927 1.00 0.00 C ATOM 0 H THR A 58 2.505 1.235 -16.087 1.00 0.00 H new ATOM 0 HA THR A 58 3.635 -0.729 -17.923 1.00 0.00 H new ATOM 0 HB THR A 58 2.741 -1.445 -15.764 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.583 -2.345 -18.178 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.307 -1.428 -15.253 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.990 0.212 -15.367 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.025 -0.445 -16.710 1.00 0.00 H new ATOM 904 N THR A 59 1.272 1.253 -18.844 1.00 0.00 N ATOM 905 CA THR A 59 0.274 1.713 -19.849 1.00 0.00 C ATOM 906 C THR A 59 -0.781 0.658 -20.303 1.00 0.00 C ATOM 907 O THR A 59 -1.243 0.693 -21.450 1.00 0.00 O ATOM 908 CB THR A 59 1.010 2.360 -21.079 1.00 0.00 C ATOM 909 OG1 THR A 59 1.894 1.408 -21.697 1.00 0.00 O ATOM 910 CG2 THR A 59 1.821 3.600 -20.664 1.00 0.00 C ATOM 0 H THR A 59 1.533 1.990 -18.190 1.00 0.00 H new ATOM 0 HA THR A 59 -0.327 2.460 -19.330 1.00 0.00 H new ATOM 0 HB THR A 59 0.241 2.665 -21.789 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.343 1.826 -22.461 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.316 4.021 -21.539 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.152 4.345 -20.232 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.570 3.314 -19.926 1.00 0.00 H new ATOM 961 N MET B 1 9.174 16.213 -7.727 1.00 0.00 N ATOM 962 CA MET B 1 8.528 15.559 -6.563 1.00 0.00 C ATOM 963 C MET B 1 8.448 14.043 -6.814 1.00 0.00 C ATOM 964 O MET B 1 8.523 13.599 -7.967 1.00 0.00 O ATOM 965 CB MET B 1 7.104 16.159 -6.345 1.00 0.00 C ATOM 966 CG MET B 1 6.350 15.663 -5.103 1.00 0.00 C ATOM 967 SD MET B 1 4.652 16.283 -5.041 1.00 0.00 S ATOM 968 CE MET B 1 4.908 18.055 -4.889 1.00 0.00 C ATOM 0 H1 MET B 1 8.733 17.140 -7.893 1.00 0.00 H new ATOM 0 H2 MET B 1 10.188 16.342 -7.534 1.00 0.00 H new ATOM 0 H3 MET B 1 9.055 15.617 -8.571 1.00 0.00 H new ATOM 0 HA MET B 1 9.117 15.737 -5.663 1.00 0.00 H new ATOM 0 HB2 MET B 1 7.194 17.244 -6.283 1.00 0.00 H new ATOM 0 HB3 MET B 1 6.500 15.939 -7.225 1.00 0.00 H new ATOM 0 HG2 MET B 1 6.337 14.573 -5.099 1.00 0.00 H new ATOM 0 HG3 MET B 1 6.883 15.979 -4.206 1.00 0.00 H new ATOM 0 HE1 MET B 1 3.970 18.536 -4.611 1.00 0.00 H new ATOM 0 HE2 MET B 1 5.657 18.250 -4.122 1.00 0.00 H new ATOM 0 HE3 MET B 1 5.252 18.456 -5.842 1.00 0.00 H new ATOM 978 N TYR B 2 8.314 13.256 -5.728 1.00 0.00 N ATOM 979 CA TYR B 2 8.030 11.816 -5.821 1.00 0.00 C ATOM 980 C TYR B 2 6.602 11.557 -6.340 1.00 0.00 C ATOM 981 O TYR B 2 5.766 12.474 -6.403 1.00 0.00 O ATOM 982 CB TYR B 2 8.273 11.104 -4.466 1.00 0.00 C ATOM 983 CG TYR B 2 7.654 11.756 -3.213 1.00 0.00 C ATOM 984 CD1 TYR B 2 6.299 12.094 -3.133 1.00 0.00 C ATOM 985 CD2 TYR B 2 8.440 12.010 -2.091 1.00 0.00 C ATOM 986 CE1 TYR B 2 5.769 12.663 -1.995 1.00 0.00 C ATOM 987 CE2 TYR B 2 7.917 12.565 -0.959 1.00 0.00 C ATOM 988 CZ TYR B 2 6.585 12.888 -0.912 1.00 0.00 C ATOM 989 OH TYR B 2 6.066 13.438 0.219 1.00 0.00 O ATOM 0 H TYR B 2 8.399 13.600 -4.771 1.00 0.00 H new ATOM 0 HA TYR B 2 8.725 11.392 -6.545 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.889 10.087 -4.544 1.00 0.00 H new ATOM 0 HB3 TYR B 2 9.349 11.027 -4.312 1.00 0.00 H new ATOM 0 HD1 TYR B 2 5.655 11.905 -3.980 1.00 0.00 H new ATOM 0 HD2 TYR B 2 9.491 11.761 -2.118 1.00 0.00 H new ATOM 0 HE1 TYR B 2 4.723 12.929 -1.955 1.00 0.00 H new ATOM 0 HE2 TYR B 2 8.550 12.749 -0.103 1.00 0.00 H new ATOM 0 HH TYR B 2 6.625 14.191 0.503 1.00 0.00 H new ATOM 999 N LYS B 3 6.319 10.285 -6.639 1.00 0.00 N ATOM 1000 CA LYS B 3 5.064 9.879 -7.269 1.00 0.00 C ATOM 1001 C LYS B 3 4.823 8.368 -7.114 1.00 0.00 C ATOM 1002 O LYS B 3 5.666 7.635 -6.572 1.00 0.00 O ATOM 1003 CB LYS B 3 5.011 10.359 -8.770 1.00 0.00 C ATOM 1004 CG LYS B 3 6.281 10.140 -9.631 1.00 0.00 C ATOM 1005 CD LYS B 3 6.534 8.670 -10.006 1.00 0.00 C ATOM 1006 CE LYS B 3 7.644 8.505 -11.053 1.00 0.00 C ATOM 1007 NZ LYS B 3 8.960 8.996 -10.578 1.00 0.00 N ATOM 0 H LYS B 3 6.955 9.510 -6.450 1.00 0.00 H new ATOM 0 HA LYS B 3 4.241 10.372 -6.752 1.00 0.00 H new ATOM 0 HB2 LYS B 3 4.180 9.849 -9.258 1.00 0.00 H new ATOM 0 HB3 LYS B 3 4.779 11.424 -8.776 1.00 0.00 H new ATOM 0 HG2 LYS B 3 6.194 10.728 -10.545 1.00 0.00 H new ATOM 0 HG3 LYS B 3 7.146 10.520 -9.088 1.00 0.00 H new ATOM 0 HD2 LYS B 3 6.802 8.112 -9.109 1.00 0.00 H new ATOM 0 HD3 LYS B 3 5.612 8.234 -10.389 1.00 0.00 H new ATOM 0 HE2 LYS B 3 7.730 7.452 -11.322 1.00 0.00 H new ATOM 0 HE3 LYS B 3 7.366 9.044 -11.959 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 9.671 8.860 -11.324 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 8.890 10.007 -10.346 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 9.243 8.465 -9.730 1.00 0.00 H new ATOM 1021 N PHE B 4 3.648 7.934 -7.593 1.00 0.00 N ATOM 1022 CA PHE B 4 3.211 6.540 -7.581 1.00 0.00 C ATOM 1023 C PHE B 4 3.575 5.899 -8.927 1.00 0.00 C ATOM 1024 O PHE B 4 3.035 6.287 -9.968 1.00 0.00 O ATOM 1025 CB PHE B 4 1.676 6.465 -7.355 1.00 0.00 C ATOM 1026 CG PHE B 4 1.191 7.087 -6.044 1.00 0.00 C ATOM 1027 CD1 PHE B 4 1.224 6.349 -4.862 1.00 0.00 C ATOM 1028 CD2 PHE B 4 0.692 8.400 -5.990 1.00 0.00 C ATOM 1029 CE1 PHE B 4 0.781 6.893 -3.678 1.00 0.00 C ATOM 1030 CE2 PHE B 4 0.254 8.936 -4.802 1.00 0.00 C ATOM 1031 CZ PHE B 4 0.297 8.186 -3.653 1.00 0.00 C ATOM 0 H PHE B 4 2.961 8.563 -8.009 1.00 0.00 H new ATOM 0 HA PHE B 4 3.706 6.005 -6.770 1.00 0.00 H new ATOM 0 HB2 PHE B 4 1.176 6.964 -8.185 1.00 0.00 H new ATOM 0 HB3 PHE B 4 1.370 5.419 -7.380 1.00 0.00 H new ATOM 0 HD1 PHE B 4 1.602 5.337 -4.875 1.00 0.00 H new ATOM 0 HD2 PHE B 4 0.652 8.994 -6.891 1.00 0.00 H new ATOM 0 HE1 PHE B 4 0.812 6.309 -2.770 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -0.124 9.947 -4.773 1.00 0.00 H new ATOM 0 HZ PHE B 4 -0.050 8.610 -2.723 1.00 0.00 H new ATOM 1041 N GLU B 5 4.508 4.948 -8.903 1.00 0.00 N ATOM 1042 CA GLU B 5 4.921 4.198 -10.096 1.00 0.00 C ATOM 1043 C GLU B 5 4.097 2.913 -10.185 1.00 0.00 C ATOM 1044 O GLU B 5 4.319 1.973 -9.417 1.00 0.00 O ATOM 1045 CB GLU B 5 6.443 3.878 -10.057 1.00 0.00 C ATOM 1046 CG GLU B 5 7.346 5.107 -10.231 1.00 0.00 C ATOM 1047 CD GLU B 5 8.859 4.849 -10.114 1.00 0.00 C ATOM 1048 OE1 GLU B 5 9.290 3.686 -10.008 1.00 0.00 O ATOM 1049 OE2 GLU B 5 9.628 5.841 -10.120 1.00 0.00 O ATOM 0 H GLU B 5 5.002 4.673 -8.054 1.00 0.00 H new ATOM 0 HA GLU B 5 4.741 4.807 -10.982 1.00 0.00 H new ATOM 0 HB2 GLU B 5 6.678 3.399 -9.107 1.00 0.00 H new ATOM 0 HB3 GLU B 5 6.672 3.158 -10.842 1.00 0.00 H new ATOM 0 HG2 GLU B 5 7.146 5.546 -11.209 1.00 0.00 H new ATOM 0 HG3 GLU B 5 7.064 5.850 -9.485 1.00 0.00 H new ATOM 1056 N ILE B 6 3.133 2.890 -11.119 1.00 0.00 N ATOM 1057 CA ILE B 6 2.213 1.767 -11.318 1.00 0.00 C ATOM 1058 C ILE B 6 2.723 0.942 -12.487 1.00 0.00 C ATOM 1059 O ILE B 6 2.834 1.436 -13.607 1.00 0.00 O ATOM 1060 CB ILE B 6 0.764 2.242 -11.664 1.00 0.00 C ATOM 1061 CG1 ILE B 6 0.314 3.367 -10.689 1.00 0.00 C ATOM 1062 CG2 ILE B 6 -0.229 1.041 -11.672 1.00 0.00 C ATOM 1063 CD1 ILE B 6 -0.845 4.190 -11.192 1.00 0.00 C ATOM 0 H ILE B 6 2.971 3.663 -11.764 1.00 0.00 H new ATOM 0 HA ILE B 6 2.173 1.195 -10.391 1.00 0.00 H new ATOM 0 HB ILE B 6 0.764 2.661 -12.670 1.00 0.00 H new ATOM 0 HG12 ILE B 6 0.040 2.918 -9.735 1.00 0.00 H new ATOM 0 HG13 ILE B 6 1.160 4.028 -10.499 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -1.230 1.398 -11.915 1.00 0.00 H new ATOM 0 HG22 ILE B 6 0.088 0.312 -12.418 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -0.240 0.572 -10.688 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.097 4.952 -10.455 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -0.570 4.671 -12.131 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -1.707 3.543 -11.355 1.00 0.00 H new ATOM 1075 N TYR B 7 3.008 -0.300 -12.227 1.00 0.00 N ATOM 1076 CA TYR B 7 3.497 -1.235 -13.222 1.00 0.00 C ATOM 1077 C TYR B 7 2.795 -2.572 -13.027 1.00 0.00 C ATOM 1078 O TYR B 7 1.875 -2.691 -12.214 1.00 0.00 O ATOM 1079 CB TYR B 7 5.045 -1.353 -13.110 1.00 0.00 C ATOM 1080 CG TYR B 7 5.566 -1.699 -11.697 1.00 0.00 C ATOM 1081 CD1 TYR B 7 5.712 -0.705 -10.724 1.00 0.00 C ATOM 1082 CD2 TYR B 7 5.903 -3.007 -11.336 1.00 0.00 C ATOM 1083 CE1 TYR B 7 6.175 -1.000 -9.458 1.00 0.00 C ATOM 1084 CE2 TYR B 7 6.371 -3.305 -10.063 1.00 0.00 C ATOM 1085 CZ TYR B 7 6.501 -2.297 -9.129 1.00 0.00 C ATOM 1086 OH TYR B 7 6.970 -2.584 -7.858 1.00 0.00 O ATOM 0 H TYR B 7 2.908 -0.710 -11.298 1.00 0.00 H new ATOM 0 HA TYR B 7 3.274 -0.883 -14.229 1.00 0.00 H new ATOM 0 HB2 TYR B 7 5.389 -2.118 -13.806 1.00 0.00 H new ATOM 0 HB3 TYR B 7 5.491 -0.410 -13.426 1.00 0.00 H new ATOM 0 HD1 TYR B 7 5.457 0.315 -10.969 1.00 0.00 H new ATOM 0 HD2 TYR B 7 5.797 -3.801 -12.061 1.00 0.00 H new ATOM 0 HE1 TYR B 7 6.282 -0.214 -8.725 1.00 0.00 H new ATOM 0 HE2 TYR B 7 6.632 -4.321 -9.805 1.00 0.00 H new ATOM 0 HH TYR B 7 7.153 -3.544 -7.786 1.00 0.00 H new ATOM 1096 N GLN B 8 3.182 -3.544 -13.828 1.00 0.00 N ATOM 1097 CA GLN B 8 2.919 -4.954 -13.542 1.00 0.00 C ATOM 1098 C GLN B 8 4.264 -5.684 -13.510 1.00 0.00 C ATOM 1099 O GLN B 8 5.242 -5.257 -14.149 1.00 0.00 O ATOM 1100 CB GLN B 8 1.933 -5.589 -14.565 1.00 0.00 C ATOM 1101 CG GLN B 8 2.529 -5.933 -15.938 1.00 0.00 C ATOM 1102 CD GLN B 8 1.473 -6.175 -17.026 1.00 0.00 C ATOM 1103 OE1 GLN B 8 1.704 -5.882 -18.198 1.00 0.00 O ATOM 1104 NE2 GLN B 8 0.319 -6.739 -16.662 1.00 0.00 N ATOM 0 H GLN B 8 3.689 -3.386 -14.699 1.00 0.00 H new ATOM 0 HA GLN B 8 2.425 -5.046 -12.575 1.00 0.00 H new ATOM 0 HB2 GLN B 8 1.522 -6.500 -14.129 1.00 0.00 H new ATOM 0 HB3 GLN B 8 1.099 -4.902 -14.713 1.00 0.00 H new ATOM 0 HG2 GLN B 8 3.184 -5.121 -16.254 1.00 0.00 H new ATOM 0 HG3 GLN B 8 3.150 -6.824 -15.842 1.00 0.00 H new ATOM 0 HE21 GLN B 8 0.152 -6.972 -15.683 1.00 0.00 H new ATOM 0 HE22 GLN B 8 -0.395 -6.936 -17.363 1.00 0.00 H new ATOM 1113 N ASP B 9 4.317 -6.756 -12.732 1.00 0.00 N ATOM 1114 CA ASP B 9 5.493 -7.610 -12.612 1.00 0.00 C ATOM 1115 C ASP B 9 5.526 -8.579 -13.801 1.00 0.00 C ATOM 1116 O ASP B 9 4.507 -8.722 -14.482 1.00 0.00 O ATOM 1117 CB ASP B 9 5.427 -8.356 -11.252 1.00 0.00 C ATOM 1118 CG ASP B 9 6.602 -9.316 -11.000 1.00 0.00 C ATOM 1119 OD1 ASP B 9 7.730 -8.830 -10.784 1.00 0.00 O ATOM 1120 OD2 ASP B 9 6.415 -10.552 -11.061 1.00 0.00 O ATOM 0 H ASP B 9 3.532 -7.063 -12.157 1.00 0.00 H new ATOM 0 HA ASP B 9 6.412 -7.025 -12.633 1.00 0.00 H new ATOM 0 HB2 ASP B 9 5.395 -7.620 -10.448 1.00 0.00 H new ATOM 0 HB3 ASP B 9 4.495 -8.920 -11.205 1.00 0.00 H new ATOM 1125 N LYS B 10 6.694 -9.222 -14.033 1.00 0.00 N ATOM 1126 CA LYS B 10 6.916 -10.255 -15.080 1.00 0.00 C ATOM 1127 C LYS B 10 5.806 -11.331 -15.061 1.00 0.00 C ATOM 1128 O LYS B 10 5.370 -11.822 -16.106 1.00 0.00 O ATOM 1129 CB LYS B 10 8.338 -10.877 -14.897 1.00 0.00 C ATOM 1130 CG LYS B 10 8.865 -11.745 -16.080 1.00 0.00 C ATOM 1131 CD LYS B 10 8.428 -13.230 -16.018 1.00 0.00 C ATOM 1132 CE LYS B 10 8.835 -14.018 -17.270 1.00 0.00 C ATOM 1133 NZ LYS B 10 10.304 -14.013 -17.485 1.00 0.00 N ATOM 0 H LYS B 10 7.533 -9.034 -13.484 1.00 0.00 H new ATOM 0 HA LYS B 10 6.866 -9.784 -16.062 1.00 0.00 H new ATOM 0 HB2 LYS B 10 9.047 -10.067 -14.723 1.00 0.00 H new ATOM 0 HB3 LYS B 10 8.330 -11.492 -13.997 1.00 0.00 H new ATOM 0 HG2 LYS B 10 8.515 -11.313 -17.018 1.00 0.00 H new ATOM 0 HG3 LYS B 10 9.954 -11.698 -16.094 1.00 0.00 H new ATOM 0 HD2 LYS B 10 8.870 -13.699 -15.139 1.00 0.00 H new ATOM 0 HD3 LYS B 10 7.346 -13.282 -15.897 1.00 0.00 H new ATOM 0 HE2 LYS B 10 8.487 -15.047 -17.178 1.00 0.00 H new ATOM 0 HE3 LYS B 10 8.341 -13.591 -18.142 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 10.537 -14.613 -18.302 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 10.625 -13.041 -17.666 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 10.780 -14.382 -16.637 1.00 0.00 H new ATOM 1147 N ALA B 11 5.337 -11.647 -13.847 1.00 0.00 N ATOM 1148 CA ALA B 11 4.237 -12.606 -13.615 1.00 0.00 C ATOM 1149 C ALA B 11 2.834 -11.995 -13.938 1.00 0.00 C ATOM 1150 O ALA B 11 1.803 -12.585 -13.607 1.00 0.00 O ATOM 1151 CB ALA B 11 4.314 -13.107 -12.170 1.00 0.00 C ATOM 0 H ALA B 11 5.710 -11.244 -12.988 1.00 0.00 H new ATOM 0 HA ALA B 11 4.358 -13.446 -14.299 1.00 0.00 H new ATOM 0 HB1 ALA B 11 3.506 -13.816 -11.987 1.00 0.00 H new ATOM 0 HB2 ALA B 11 5.273 -13.599 -12.006 1.00 0.00 H new ATOM 0 HB3 ALA B 11 4.218 -12.263 -11.487 1.00 0.00 H new ATOM 1157 N GLY B 12 2.826 -10.833 -14.626 1.00 0.00 N ATOM 1158 CA GLY B 12 1.608 -10.091 -14.984 1.00 0.00 C ATOM 1159 C GLY B 12 0.922 -9.447 -13.782 1.00 0.00 C ATOM 1160 O GLY B 12 -0.264 -9.099 -13.855 1.00 0.00 O ATOM 0 H GLY B 12 3.681 -10.381 -14.951 1.00 0.00 H new ATOM 0 HA2 GLY B 12 1.862 -9.316 -15.708 1.00 0.00 H new ATOM 0 HA3 GLY B 12 0.908 -10.768 -15.474 1.00 0.00 H new ATOM 1164 N GLU B 13 1.683 -9.242 -12.688 1.00 0.00 N ATOM 1165 CA GLU B 13 1.109 -8.852 -11.373 1.00 0.00 C ATOM 1166 C GLU B 13 1.149 -7.332 -11.183 1.00 0.00 C ATOM 1167 O GLU B 13 2.196 -6.781 -10.829 1.00 0.00 O ATOM 1168 CB GLU B 13 1.861 -9.547 -10.203 1.00 0.00 C ATOM 1169 CG GLU B 13 1.681 -11.072 -10.122 1.00 0.00 C ATOM 1170 CD GLU B 13 2.397 -11.693 -8.907 1.00 0.00 C ATOM 1171 OE1 GLU B 13 1.977 -11.425 -7.759 1.00 0.00 O ATOM 1172 OE2 GLU B 13 3.386 -12.425 -9.080 1.00 0.00 O ATOM 0 H GLU B 13 2.698 -9.339 -12.684 1.00 0.00 H new ATOM 0 HA GLU B 13 0.070 -9.180 -11.364 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.925 -9.327 -10.295 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.525 -9.107 -9.264 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.618 -11.306 -10.070 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.063 -11.528 -11.035 1.00 0.00 H new ATOM 1179 N TYR B 14 0.018 -6.661 -11.471 1.00 0.00 N ATOM 1180 CA TYR B 14 -0.137 -5.214 -11.233 1.00 0.00 C ATOM 1181 C TYR B 14 0.196 -4.855 -9.775 1.00 0.00 C ATOM 1182 O TYR B 14 -0.341 -5.443 -8.841 1.00 0.00 O ATOM 1183 CB TYR B 14 -1.553 -4.724 -11.603 1.00 0.00 C ATOM 1184 CG TYR B 14 -1.896 -4.888 -13.083 1.00 0.00 C ATOM 1185 CD1 TYR B 14 -1.427 -3.976 -14.037 1.00 0.00 C ATOM 1186 CD2 TYR B 14 -2.695 -5.942 -13.527 1.00 0.00 C ATOM 1187 CE1 TYR B 14 -1.752 -4.119 -15.368 1.00 0.00 C ATOM 1188 CE2 TYR B 14 -3.014 -6.080 -14.854 1.00 0.00 C ATOM 1189 CZ TYR B 14 -2.542 -5.172 -15.768 1.00 0.00 C ATOM 1190 OH TYR B 14 -2.882 -5.307 -17.088 1.00 0.00 O ATOM 0 H TYR B 14 -0.809 -7.103 -11.873 1.00 0.00 H new ATOM 0 HA TYR B 14 0.572 -4.702 -11.884 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -2.284 -5.271 -11.008 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -1.645 -3.672 -11.333 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -0.803 -3.151 -13.725 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -3.069 -6.662 -12.814 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -1.388 -3.407 -16.094 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -3.635 -6.902 -15.179 1.00 0.00 H new ATOM 0 HH TYR B 14 -3.442 -6.103 -17.202 1.00 0.00 H new ATOM 1200 N ARG B 15 1.133 -3.917 -9.649 1.00 0.00 N ATOM 1201 CA ARG B 15 1.697 -3.424 -8.392 1.00 0.00 C ATOM 1202 C ARG B 15 2.019 -1.943 -8.563 1.00 0.00 C ATOM 1203 O ARG B 15 2.576 -1.549 -9.589 1.00 0.00 O ATOM 1204 CB ARG B 15 3.006 -4.191 -8.061 1.00 0.00 C ATOM 1205 CG ARG B 15 2.837 -5.706 -7.832 1.00 0.00 C ATOM 1206 CD ARG B 15 4.141 -6.470 -8.056 1.00 0.00 C ATOM 1207 NE ARG B 15 3.995 -7.904 -7.758 1.00 0.00 N ATOM 1208 CZ ARG B 15 4.993 -8.737 -7.450 1.00 0.00 C ATOM 1209 NH1 ARG B 15 6.247 -8.297 -7.370 1.00 0.00 N ATOM 1210 NH2 ARG B 15 4.730 -10.010 -7.212 1.00 0.00 N ATOM 0 H ARG B 15 1.541 -3.456 -10.462 1.00 0.00 H new ATOM 0 HA ARG B 15 0.983 -3.574 -7.582 1.00 0.00 H new ATOM 0 HB2 ARG B 15 3.713 -4.039 -8.876 1.00 0.00 H new ATOM 0 HB3 ARG B 15 3.450 -3.752 -7.168 1.00 0.00 H new ATOM 0 HG2 ARG B 15 2.485 -5.881 -6.816 1.00 0.00 H new ATOM 0 HG3 ARG B 15 2.071 -6.091 -8.506 1.00 0.00 H new ATOM 0 HD2 ARG B 15 4.462 -6.345 -9.090 1.00 0.00 H new ATOM 0 HD3 ARG B 15 4.923 -6.046 -7.426 1.00 0.00 H new ATOM 0 HE ARG B 15 3.053 -8.294 -7.789 1.00 0.00 H new ATOM 0 HH11 ARG B 15 6.455 -7.314 -7.545 1.00 0.00 H new ATOM 0 HH12 ARG B 15 7.000 -8.943 -7.134 1.00 0.00 H new ATOM 0 HH21 ARG B 15 3.770 -10.351 -7.264 1.00 0.00 H new ATOM 0 HH22 ARG B 15 5.487 -10.652 -6.976 1.00 0.00 H new ATOM 1224 N PHE B 16 1.698 -1.129 -7.559 1.00 0.00 N ATOM 1225 CA PHE B 16 2.103 0.277 -7.523 1.00 0.00 C ATOM 1226 C PHE B 16 3.031 0.471 -6.333 1.00 0.00 C ATOM 1227 O PHE B 16 2.782 -0.049 -5.241 1.00 0.00 O ATOM 1228 CB PHE B 16 0.881 1.245 -7.486 1.00 0.00 C ATOM 1229 CG PHE B 16 -0.106 1.077 -6.320 1.00 0.00 C ATOM 1230 CD1 PHE B 16 0.083 1.752 -5.108 1.00 0.00 C ATOM 1231 CD2 PHE B 16 -1.227 0.253 -6.443 1.00 0.00 C ATOM 1232 CE1 PHE B 16 -0.820 1.618 -4.072 1.00 0.00 C ATOM 1233 CE2 PHE B 16 -2.128 0.118 -5.402 1.00 0.00 C ATOM 1234 CZ PHE B 16 -1.918 0.794 -4.216 1.00 0.00 C ATOM 0 H PHE B 16 1.152 -1.423 -6.749 1.00 0.00 H new ATOM 0 HA PHE B 16 2.633 0.527 -8.442 1.00 0.00 H new ATOM 0 HB2 PHE B 16 1.259 2.267 -7.466 1.00 0.00 H new ATOM 0 HB3 PHE B 16 0.328 1.128 -8.418 1.00 0.00 H new ATOM 0 HD1 PHE B 16 0.948 2.387 -4.982 1.00 0.00 H new ATOM 0 HD2 PHE B 16 -1.393 -0.286 -7.364 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -0.667 2.158 -3.149 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -2.995 -0.516 -5.517 1.00 0.00 H new ATOM 0 HZ PHE B 16 -2.615 0.678 -3.399 1.00 0.00 H new ATOM 1244 N ARG B 17 4.132 1.163 -6.564 1.00 0.00 N ATOM 1245 CA ARG B 17 5.074 1.527 -5.516 1.00 0.00 C ATOM 1246 C ARG B 17 5.004 3.030 -5.285 1.00 0.00 C ATOM 1247 O ARG B 17 4.519 3.782 -6.147 1.00 0.00 O ATOM 1248 CB ARG B 17 6.514 1.101 -5.899 1.00 0.00 C ATOM 1249 CG ARG B 17 7.093 1.806 -7.141 1.00 0.00 C ATOM 1250 CD ARG B 17 8.569 1.455 -7.380 1.00 0.00 C ATOM 1251 NE ARG B 17 8.791 -0.001 -7.438 1.00 0.00 N ATOM 1252 CZ ARG B 17 9.984 -0.606 -7.353 1.00 0.00 C ATOM 1253 NH1 ARG B 17 11.101 0.096 -7.198 1.00 0.00 N ATOM 1254 NH2 ARG B 17 10.045 -1.924 -7.416 1.00 0.00 N ATOM 0 H ARG B 17 4.402 1.492 -7.491 1.00 0.00 H new ATOM 0 HA ARG B 17 4.808 1.006 -4.596 1.00 0.00 H new ATOM 0 HB2 ARG B 17 7.171 1.293 -5.051 1.00 0.00 H new ATOM 0 HB3 ARG B 17 6.524 0.025 -6.073 1.00 0.00 H new ATOM 0 HG2 ARG B 17 6.510 1.527 -8.018 1.00 0.00 H new ATOM 0 HG3 ARG B 17 6.994 2.885 -7.022 1.00 0.00 H new ATOM 0 HD2 ARG B 17 8.903 1.909 -8.313 1.00 0.00 H new ATOM 0 HD3 ARG B 17 9.176 1.882 -6.582 1.00 0.00 H new ATOM 0 HE ARG B 17 7.971 -0.596 -7.552 1.00 0.00 H new ATOM 0 HH11 ARG B 17 11.060 1.114 -7.142 1.00 0.00 H new ATOM 0 HH12 ARG B 17 12.000 -0.383 -7.135 1.00 0.00 H new ATOM 0 HH21 ARG B 17 9.190 -2.469 -7.528 1.00 0.00 H new ATOM 0 HH22 ARG B 17 10.947 -2.396 -7.353 1.00 0.00 H new ATOM 1268 N PHE B 18 5.509 3.463 -4.132 1.00 0.00 N ATOM 1269 CA PHE B 18 5.612 4.894 -3.817 1.00 0.00 C ATOM 1270 C PHE B 18 7.091 5.228 -3.646 1.00 0.00 C ATOM 1271 O PHE B 18 7.846 4.475 -3.007 1.00 0.00 O ATOM 1272 CB PHE B 18 4.782 5.273 -2.565 1.00 0.00 C ATOM 1273 CG PHE B 18 4.671 6.766 -2.263 1.00 0.00 C ATOM 1274 CD1 PHE B 18 4.452 7.697 -3.280 1.00 0.00 C ATOM 1275 CD2 PHE B 18 4.741 7.232 -0.953 1.00 0.00 C ATOM 1276 CE1 PHE B 18 4.318 9.036 -2.989 1.00 0.00 C ATOM 1277 CE2 PHE B 18 4.598 8.567 -0.662 1.00 0.00 C ATOM 1278 CZ PHE B 18 4.387 9.470 -1.678 1.00 0.00 C ATOM 0 H PHE B 18 5.855 2.846 -3.397 1.00 0.00 H new ATOM 0 HA PHE B 18 5.192 5.484 -4.632 1.00 0.00 H new ATOM 0 HB2 PHE B 18 3.776 4.871 -2.685 1.00 0.00 H new ATOM 0 HB3 PHE B 18 5.222 4.779 -1.699 1.00 0.00 H new ATOM 0 HD1 PHE B 18 4.387 7.364 -4.305 1.00 0.00 H new ATOM 0 HD2 PHE B 18 4.911 6.530 -0.150 1.00 0.00 H new ATOM 0 HE1 PHE B 18 4.159 9.748 -3.785 1.00 0.00 H new ATOM 0 HE2 PHE B 18 4.651 8.907 0.362 1.00 0.00 H new ATOM 0 HZ PHE B 18 4.275 10.520 -1.451 1.00 0.00 H new ATOM 1288 N LYS B 19 7.491 6.333 -4.271 1.00 0.00 N ATOM 1289 CA LYS B 19 8.874 6.797 -4.294 1.00 0.00 C ATOM 1290 C LYS B 19 9.111 7.855 -3.208 1.00 0.00 C ATOM 1291 O LYS B 19 8.199 8.215 -2.450 1.00 0.00 O ATOM 1292 CB LYS B 19 9.177 7.352 -5.712 1.00 0.00 C ATOM 1293 CG LYS B 19 9.003 6.294 -6.820 1.00 0.00 C ATOM 1294 CD LYS B 19 9.960 5.087 -6.617 1.00 0.00 C ATOM 1295 CE LYS B 19 11.443 5.461 -6.810 1.00 0.00 C ATOM 1296 NZ LYS B 19 11.775 5.669 -8.243 1.00 0.00 N ATOM 0 H LYS B 19 6.852 6.940 -4.784 1.00 0.00 H new ATOM 0 HA LYS B 19 9.552 5.971 -4.079 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.517 8.195 -5.915 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.198 7.733 -5.737 1.00 0.00 H new ATOM 0 HG2 LYS B 19 7.971 5.943 -6.829 1.00 0.00 H new ATOM 0 HG3 LYS B 19 9.193 6.750 -7.792 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.820 4.683 -5.615 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.695 4.297 -7.320 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.665 6.369 -6.249 1.00 0.00 H new ATOM 0 HE3 LYS B 19 12.074 4.672 -6.401 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 12.385 4.894 -8.574 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 10.899 5.684 -8.804 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 12.274 6.574 -8.356 1.00 0.00 H new ATOM 1310 N ALA B 20 10.346 8.356 -3.170 1.00 0.00 N ATOM 1311 CA ALA B 20 10.782 9.412 -2.248 1.00 0.00 C ATOM 1312 C ALA B 20 11.612 10.439 -3.033 1.00 0.00 C ATOM 1313 O ALA B 20 12.000 10.171 -4.176 1.00 0.00 O ATOM 1314 CB ALA B 20 11.565 8.815 -1.075 1.00 0.00 C ATOM 0 H ALA B 20 11.088 8.034 -3.791 1.00 0.00 H new ATOM 0 HA ALA B 20 9.916 9.917 -1.820 1.00 0.00 H new ATOM 0 HB1 ALA B 20 11.879 9.614 -0.403 1.00 0.00 H new ATOM 0 HB2 ALA B 20 10.930 8.114 -0.533 1.00 0.00 H new ATOM 0 HB3 ALA B 20 12.444 8.292 -1.453 1.00 0.00 H new ATOM 1320 N SER B 21 11.828 11.626 -2.433 1.00 0.00 N ATOM 1321 CA SER B 21 12.636 12.713 -3.036 1.00 0.00 C ATOM 1322 C SER B 21 14.088 12.264 -3.365 1.00 0.00 C ATOM 1323 O SER B 21 14.720 12.791 -4.288 1.00 0.00 O ATOM 1324 CB SER B 21 12.634 13.947 -2.100 1.00 0.00 C ATOM 1325 OG SER B 21 13.005 13.613 -0.774 1.00 0.00 O ATOM 0 H SER B 21 11.448 11.862 -1.516 1.00 0.00 H new ATOM 0 HA SER B 21 12.175 12.981 -3.987 1.00 0.00 H new ATOM 0 HB2 SER B 21 13.321 14.698 -2.490 1.00 0.00 H new ATOM 0 HB3 SER B 21 11.641 14.396 -2.096 1.00 0.00 H new ATOM 0 HG SER B 21 12.992 14.420 -0.218 1.00 0.00 H new ATOM 1331 N ASN B 22 14.588 11.259 -2.616 1.00 0.00 N ATOM 1332 CA ASN B 22 15.927 10.654 -2.833 1.00 0.00 C ATOM 1333 C ASN B 22 15.939 9.690 -4.047 1.00 0.00 C ATOM 1334 O ASN B 22 16.999 9.223 -4.464 1.00 0.00 O ATOM 1335 CB ASN B 22 16.371 9.896 -1.551 1.00 0.00 C ATOM 1336 CG ASN B 22 16.504 10.798 -0.320 1.00 0.00 C ATOM 1337 OD1 ASN B 22 16.866 11.971 -0.420 1.00 0.00 O ATOM 1338 ND2 ASN B 22 16.204 10.251 0.849 1.00 0.00 N ATOM 0 H ASN B 22 14.076 10.840 -1.840 1.00 0.00 H new ATOM 0 HA ASN B 22 16.626 11.462 -3.049 1.00 0.00 H new ATOM 0 HB2 ASN B 22 15.649 9.108 -1.337 1.00 0.00 H new ATOM 0 HB3 ASN B 22 17.328 9.410 -1.740 1.00 0.00 H new ATOM 0 HD21 ASN B 22 16.270 10.805 1.703 1.00 0.00 H new ATOM 0 HD22 ASN B 22 15.907 9.276 0.895 1.00 0.00 H new ATOM 1345 N GLY B 23 14.751 9.431 -4.619 1.00 0.00 N ATOM 1346 CA GLY B 23 14.572 8.433 -5.675 1.00 0.00 C ATOM 1347 C GLY B 23 14.701 7.019 -5.139 1.00 0.00 C ATOM 1348 O GLY B 23 15.307 6.149 -5.770 1.00 0.00 O ATOM 0 H GLY B 23 13.890 9.911 -4.358 1.00 0.00 H new ATOM 0 HA2 GLY B 23 13.591 8.560 -6.133 1.00 0.00 H new ATOM 0 HA3 GLY B 23 15.313 8.594 -6.458 1.00 0.00 H new ATOM 1352 N GLU B 24 14.114 6.811 -3.958 1.00 0.00 N ATOM 1353 CA GLU B 24 14.130 5.529 -3.243 1.00 0.00 C ATOM 1354 C GLU B 24 12.686 5.065 -3.041 1.00 0.00 C ATOM 1355 O GLU B 24 11.802 5.882 -2.757 1.00 0.00 O ATOM 1356 CB GLU B 24 14.853 5.695 -1.877 1.00 0.00 C ATOM 1357 CG GLU B 24 16.362 6.002 -1.982 1.00 0.00 C ATOM 1358 CD GLU B 24 17.183 4.815 -2.510 1.00 0.00 C ATOM 1359 OE1 GLU B 24 17.547 3.936 -1.700 1.00 0.00 O ATOM 1360 OE2 GLU B 24 17.459 4.741 -3.729 1.00 0.00 O ATOM 0 H GLU B 24 13.604 7.542 -3.461 1.00 0.00 H new ATOM 0 HA GLU B 24 14.671 4.781 -3.822 1.00 0.00 H new ATOM 0 HB2 GLU B 24 14.370 6.498 -1.320 1.00 0.00 H new ATOM 0 HB3 GLU B 24 14.721 4.781 -1.297 1.00 0.00 H new ATOM 0 HG2 GLU B 24 16.508 6.858 -2.640 1.00 0.00 H new ATOM 0 HG3 GLU B 24 16.738 6.288 -1.000 1.00 0.00 H new ATOM 1367 N THR B 25 12.445 3.767 -3.232 1.00 0.00 N ATOM 1368 CA THR B 25 11.130 3.162 -3.000 1.00 0.00 C ATOM 1369 C THR B 25 11.020 2.700 -1.537 1.00 0.00 C ATOM 1370 O THR B 25 11.969 2.139 -0.975 1.00 0.00 O ATOM 1371 CB THR B 25 10.890 1.963 -3.966 1.00 0.00 C ATOM 1372 OG1 THR B 25 11.045 2.394 -5.324 1.00 0.00 O ATOM 1373 CG2 THR B 25 9.505 1.329 -3.789 1.00 0.00 C ATOM 0 H THR B 25 13.153 3.106 -3.551 1.00 0.00 H new ATOM 0 HA THR B 25 10.364 3.912 -3.197 1.00 0.00 H new ATOM 0 HB THR B 25 11.632 1.203 -3.720 1.00 0.00 H new ATOM 0 HG1 THR B 25 11.934 2.139 -5.649 1.00 0.00 H new ATOM 0 HG21 THR B 25 9.393 0.499 -4.487 1.00 0.00 H new ATOM 0 HG22 THR B 25 9.401 0.961 -2.768 1.00 0.00 H new ATOM 0 HG23 THR B 25 8.735 2.075 -3.986 1.00 0.00 H new ATOM 1381 N MET B 26 9.851 2.947 -0.944 1.00 0.00 N ATOM 1382 CA MET B 26 9.571 2.644 0.471 1.00 0.00 C ATOM 1383 C MET B 26 8.477 1.563 0.622 1.00 0.00 C ATOM 1384 O MET B 26 8.298 1.034 1.719 1.00 0.00 O ATOM 1385 CB MET B 26 9.266 3.959 1.248 1.00 0.00 C ATOM 1386 CG MET B 26 8.532 5.041 0.444 1.00 0.00 C ATOM 1387 SD MET B 26 6.934 4.497 -0.163 1.00 0.00 S ATOM 1388 CE MET B 26 6.053 4.382 1.369 1.00 0.00 C ATOM 0 H MET B 26 9.060 3.367 -1.433 1.00 0.00 H new ATOM 0 HA MET B 26 10.461 2.207 0.924 1.00 0.00 H new ATOM 0 HB2 MET B 26 8.668 3.713 2.125 1.00 0.00 H new ATOM 0 HB3 MET B 26 10.207 4.374 1.610 1.00 0.00 H new ATOM 0 HG2 MET B 26 8.396 5.922 1.071 1.00 0.00 H new ATOM 0 HG3 MET B 26 9.152 5.343 -0.400 1.00 0.00 H new ATOM 0 HE1 MET B 26 5.292 3.605 1.294 1.00 0.00 H new ATOM 0 HE2 MET B 26 6.748 4.133 2.171 1.00 0.00 H new ATOM 0 HE3 MET B 26 5.575 5.337 1.587 1.00 0.00 H new ATOM 1398 N PHE B 27 7.758 1.230 -0.474 1.00 0.00 N ATOM 1399 CA PHE B 27 6.958 -0.020 -0.547 1.00 0.00 C ATOM 1400 C PHE B 27 6.602 -0.371 -1.997 1.00 0.00 C ATOM 1401 O PHE B 27 6.533 0.499 -2.869 1.00 0.00 O ATOM 1402 CB PHE B 27 5.641 0.018 0.312 1.00 0.00 C ATOM 1403 CG PHE B 27 4.426 0.712 -0.342 1.00 0.00 C ATOM 1404 CD1 PHE B 27 4.332 2.083 -0.375 1.00 0.00 C ATOM 1405 CD2 PHE B 27 3.385 -0.017 -0.912 1.00 0.00 C ATOM 1406 CE1 PHE B 27 3.258 2.725 -0.947 1.00 0.00 C ATOM 1407 CE2 PHE B 27 2.308 0.623 -1.492 1.00 0.00 C ATOM 1408 CZ PHE B 27 2.241 1.995 -1.508 1.00 0.00 C ATOM 0 H PHE B 27 7.713 1.803 -1.316 1.00 0.00 H new ATOM 0 HA PHE B 27 7.601 -0.791 -0.123 1.00 0.00 H new ATOM 0 HB2 PHE B 27 5.361 -1.007 0.557 1.00 0.00 H new ATOM 0 HB3 PHE B 27 5.859 0.522 1.253 1.00 0.00 H new ATOM 0 HD1 PHE B 27 5.124 2.673 0.061 1.00 0.00 H new ATOM 0 HD2 PHE B 27 3.421 -1.096 -0.900 1.00 0.00 H new ATOM 0 HE1 PHE B 27 3.216 3.804 -0.954 1.00 0.00 H new ATOM 0 HE2 PHE B 27 1.513 0.042 -1.936 1.00 0.00 H new ATOM 0 HZ PHE B 27 1.396 2.494 -1.958 1.00 0.00 H new ATOM 1418 N SER B 28 6.301 -1.663 -2.167 1.00 0.00 N ATOM 1419 CA SER B 28 5.698 -2.248 -3.374 1.00 0.00 C ATOM 1420 C SER B 28 4.362 -2.871 -2.937 1.00 0.00 C ATOM 1421 O SER B 28 4.319 -3.533 -1.907 1.00 0.00 O ATOM 1422 CB SER B 28 6.649 -3.294 -3.997 1.00 0.00 C ATOM 1423 OG SER B 28 7.842 -2.680 -4.476 1.00 0.00 O ATOM 0 H SER B 28 6.477 -2.358 -1.441 1.00 0.00 H new ATOM 0 HA SER B 28 5.526 -1.496 -4.144 1.00 0.00 H new ATOM 0 HB2 SER B 28 6.899 -4.051 -3.254 1.00 0.00 H new ATOM 0 HB3 SER B 28 6.145 -3.806 -4.817 1.00 0.00 H new ATOM 0 HG SER B 28 8.428 -3.363 -4.864 1.00 0.00 H new ATOM 1429 N SER B 29 3.253 -2.633 -3.662 1.00 0.00 N ATOM 1430 CA SER B 29 1.921 -3.061 -3.181 1.00 0.00 C ATOM 1431 C SER B 29 1.481 -4.377 -3.825 1.00 0.00 C ATOM 1432 O SER B 29 2.180 -4.964 -4.654 1.00 0.00 O ATOM 1433 CB SER B 29 0.860 -1.974 -3.453 1.00 0.00 C ATOM 1434 OG SER B 29 0.647 -1.789 -4.835 1.00 0.00 O ATOM 0 H SER B 29 3.248 -2.157 -4.564 1.00 0.00 H new ATOM 0 HA SER B 29 2.008 -3.217 -2.106 1.00 0.00 H new ATOM 0 HB2 SER B 29 -0.078 -2.253 -2.974 1.00 0.00 H new ATOM 0 HB3 SER B 29 1.179 -1.033 -3.005 1.00 0.00 H new ATOM 0 HG SER B 29 0.006 -1.060 -4.973 1.00 0.00 H new ATOM 1440 N GLU B 30 0.300 -4.803 -3.392 1.00 0.00 N ATOM 1441 CA GLU B 30 -0.486 -5.880 -3.985 1.00 0.00 C ATOM 1442 C GLU B 30 -0.994 -5.475 -5.388 1.00 0.00 C ATOM 1443 O GLU B 30 -1.204 -6.329 -6.251 1.00 0.00 O ATOM 1444 CB GLU B 30 -1.674 -6.137 -3.022 1.00 0.00 C ATOM 1445 CG GLU B 30 -2.705 -7.173 -3.458 1.00 0.00 C ATOM 1446 CD GLU B 30 -3.895 -7.248 -2.490 1.00 0.00 C ATOM 1447 OE1 GLU B 30 -4.763 -6.349 -2.535 1.00 0.00 O ATOM 1448 OE2 GLU B 30 -3.945 -8.177 -1.663 1.00 0.00 O ATOM 0 H GLU B 30 -0.157 -4.388 -2.580 1.00 0.00 H new ATOM 0 HA GLU B 30 0.114 -6.781 -4.114 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -1.269 -6.447 -2.059 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -2.191 -5.191 -2.861 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -3.066 -6.927 -4.457 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -2.229 -8.152 -3.523 1.00 0.00 H new ATOM 1455 N GLY B 31 -1.201 -4.148 -5.583 1.00 0.00 N ATOM 1456 CA GLY B 31 -1.832 -3.594 -6.796 1.00 0.00 C ATOM 1457 C GLY B 31 -3.356 -3.709 -6.804 1.00 0.00 C ATOM 1458 O GLY B 31 -4.007 -3.154 -7.704 1.00 0.00 O ATOM 0 H GLY B 31 -0.934 -3.438 -4.902 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -1.555 -2.544 -6.891 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -1.433 -4.109 -7.670 1.00 0.00 H new ATOM 1462 N TYR B 32 -3.891 -4.494 -5.832 1.00 0.00 N ATOM 1463 CA TYR B 32 -5.329 -4.676 -5.557 1.00 0.00 C ATOM 1464 C TYR B 32 -5.941 -5.701 -6.535 1.00 0.00 C ATOM 1465 O TYR B 32 -6.436 -6.748 -6.102 1.00 0.00 O ATOM 1466 CB TYR B 32 -6.098 -3.317 -5.552 1.00 0.00 C ATOM 1467 CG TYR B 32 -7.604 -3.402 -5.233 1.00 0.00 C ATOM 1468 CD1 TYR B 32 -8.072 -3.372 -3.919 1.00 0.00 C ATOM 1469 CD2 TYR B 32 -8.552 -3.495 -6.252 1.00 0.00 C ATOM 1470 CE1 TYR B 32 -9.423 -3.432 -3.641 1.00 0.00 C ATOM 1471 CE2 TYR B 32 -9.896 -3.556 -5.977 1.00 0.00 C ATOM 1472 CZ TYR B 32 -10.329 -3.524 -4.677 1.00 0.00 C ATOM 1473 OH TYR B 32 -11.677 -3.588 -4.410 1.00 0.00 O ATOM 0 H TYR B 32 -3.304 -5.036 -5.198 1.00 0.00 H new ATOM 0 HA TYR B 32 -5.434 -5.082 -4.551 1.00 0.00 H new ATOM 0 HB2 TYR B 32 -5.628 -2.657 -4.823 1.00 0.00 H new ATOM 0 HB3 TYR B 32 -5.978 -2.849 -6.529 1.00 0.00 H new ATOM 0 HD1 TYR B 32 -7.365 -3.301 -3.105 1.00 0.00 H new ATOM 0 HD2 TYR B 32 -8.222 -3.520 -7.280 1.00 0.00 H new ATOM 0 HE1 TYR B 32 -9.769 -3.407 -2.618 1.00 0.00 H new ATOM 0 HE2 TYR B 32 -10.610 -3.629 -6.784 1.00 0.00 H new ATOM 0 HH TYR B 32 -12.175 -3.648 -5.252 1.00 0.00 H new ATOM 1483 N LYS B 33 -5.896 -5.404 -7.851 1.00 0.00 N ATOM 1484 CA LYS B 33 -6.452 -6.294 -8.897 1.00 0.00 C ATOM 1485 C LYS B 33 -5.776 -6.032 -10.254 1.00 0.00 C ATOM 1486 O LYS B 33 -4.995 -6.852 -10.738 1.00 0.00 O ATOM 1487 CB LYS B 33 -8.001 -6.110 -8.983 1.00 0.00 C ATOM 1488 CG LYS B 33 -8.741 -6.929 -10.078 1.00 0.00 C ATOM 1489 CD LYS B 33 -8.474 -8.457 -10.025 1.00 0.00 C ATOM 1490 CE LYS B 33 -8.860 -9.094 -8.680 1.00 0.00 C ATOM 1491 NZ LYS B 33 -10.305 -8.941 -8.353 1.00 0.00 N ATOM 0 H LYS B 33 -5.478 -4.549 -8.218 1.00 0.00 H new ATOM 0 HA LYS B 33 -6.246 -7.330 -8.628 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -8.429 -6.371 -8.015 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.210 -5.053 -9.149 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -9.813 -6.756 -9.982 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -8.444 -6.554 -11.058 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -9.033 -8.945 -10.824 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -7.417 -8.641 -10.217 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -8.609 -10.155 -8.702 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -8.265 -8.642 -7.887 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -10.503 -9.390 -7.436 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -10.544 -7.930 -8.302 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -10.878 -9.396 -9.092 1.00 0.00 H new ATOM 1505 N ALA B 34 -6.058 -4.860 -10.829 1.00 0.00 N ATOM 1506 CA ALA B 34 -5.659 -4.496 -12.203 1.00 0.00 C ATOM 1507 C ALA B 34 -5.051 -3.089 -12.202 1.00 0.00 C ATOM 1508 O ALA B 34 -4.856 -2.526 -11.120 1.00 0.00 O ATOM 1509 CB ALA B 34 -6.884 -4.593 -13.120 1.00 0.00 C ATOM 0 H ALA B 34 -6.577 -4.123 -10.352 1.00 0.00 H new ATOM 0 HA ALA B 34 -4.900 -5.182 -12.579 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -6.599 -4.326 -14.138 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -7.268 -5.613 -13.107 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -7.657 -3.909 -12.768 1.00 0.00 H new ATOM 1515 N LYS B 35 -4.741 -2.513 -13.390 1.00 0.00 N ATOM 1516 CA LYS B 35 -4.177 -1.150 -13.488 1.00 0.00 C ATOM 1517 C LYS B 35 -5.227 -0.133 -13.032 1.00 0.00 C ATOM 1518 O LYS B 35 -4.945 0.700 -12.186 1.00 0.00 O ATOM 1519 CB LYS B 35 -3.664 -0.873 -14.953 1.00 0.00 C ATOM 1520 CG LYS B 35 -3.291 0.602 -15.338 1.00 0.00 C ATOM 1521 CD LYS B 35 -4.513 1.467 -15.776 1.00 0.00 C ATOM 1522 CE LYS B 35 -4.143 2.864 -16.305 1.00 0.00 C ATOM 1523 NZ LYS B 35 -3.454 2.807 -17.613 1.00 0.00 N ATOM 0 H LYS B 35 -4.873 -2.973 -14.291 1.00 0.00 H new ATOM 0 HA LYS B 35 -3.313 -1.054 -12.830 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -2.784 -1.494 -15.122 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -4.433 -1.214 -15.646 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -2.807 1.079 -14.485 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -2.562 0.583 -16.148 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -5.063 0.932 -16.550 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -5.187 1.580 -14.927 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -5.047 3.465 -16.400 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -3.501 3.366 -15.581 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -3.879 3.501 -18.260 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -2.446 3.026 -17.484 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -3.552 1.853 -18.016 1.00 0.00 H new ATOM 1537 N ALA B 36 -6.450 -0.232 -13.591 1.00 0.00 N ATOM 1538 CA ALA B 36 -7.563 0.694 -13.274 1.00 0.00 C ATOM 1539 C ALA B 36 -7.920 0.633 -11.784 1.00 0.00 C ATOM 1540 O ALA B 36 -8.183 1.662 -11.154 1.00 0.00 O ATOM 1541 CB ALA B 36 -8.790 0.388 -14.149 1.00 0.00 C ATOM 0 H ALA B 36 -6.696 -0.951 -14.271 1.00 0.00 H new ATOM 0 HA ALA B 36 -7.234 1.709 -13.496 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -9.596 1.079 -13.900 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -8.525 0.503 -15.200 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -9.120 -0.635 -13.968 1.00 0.00 H new ATOM 1547 N SER B 37 -7.862 -0.580 -11.231 1.00 0.00 N ATOM 1548 CA SER B 37 -8.142 -0.851 -9.818 1.00 0.00 C ATOM 1549 C SER B 37 -6.995 -0.323 -8.927 1.00 0.00 C ATOM 1550 O SER B 37 -7.218 0.058 -7.774 1.00 0.00 O ATOM 1551 CB SER B 37 -8.310 -2.367 -9.630 1.00 0.00 C ATOM 1552 OG SER B 37 -9.069 -2.934 -10.688 1.00 0.00 O ATOM 0 H SER B 37 -7.615 -1.416 -11.761 1.00 0.00 H new ATOM 0 HA SER B 37 -9.058 -0.340 -9.523 1.00 0.00 H new ATOM 0 HB2 SER B 37 -7.330 -2.842 -9.587 1.00 0.00 H new ATOM 0 HB3 SER B 37 -8.803 -2.566 -8.678 1.00 0.00 H new ATOM 0 HG SER B 37 -9.443 -3.792 -10.399 1.00 0.00 H new ATOM 1558 N ALA B 38 -5.769 -0.311 -9.496 1.00 0.00 N ATOM 1559 CA ALA B 38 -4.573 0.220 -8.824 1.00 0.00 C ATOM 1560 C ALA B 38 -4.666 1.749 -8.708 1.00 0.00 C ATOM 1561 O ALA B 38 -4.334 2.298 -7.664 1.00 0.00 O ATOM 1562 CB ALA B 38 -3.286 -0.198 -9.554 1.00 0.00 C ATOM 0 H ALA B 38 -5.586 -0.670 -10.433 1.00 0.00 H new ATOM 0 HA ALA B 38 -4.530 -0.205 -7.821 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -2.422 0.211 -9.031 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -3.216 -1.286 -9.575 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -3.306 0.184 -10.575 1.00 0.00 H new ATOM 1568 N ILE B 39 -5.106 2.430 -9.797 1.00 0.00 N ATOM 1569 CA ILE B 39 -5.423 3.875 -9.782 1.00 0.00 C ATOM 1570 C ILE B 39 -6.487 4.180 -8.713 1.00 0.00 C ATOM 1571 O ILE B 39 -6.292 5.089 -7.919 1.00 0.00 O ATOM 1572 CB ILE B 39 -5.901 4.408 -11.211 1.00 0.00 C ATOM 1573 CG1 ILE B 39 -4.690 4.704 -12.159 1.00 0.00 C ATOM 1574 CG2 ILE B 39 -6.812 5.666 -11.116 1.00 0.00 C ATOM 1575 CD1 ILE B 39 -3.918 3.497 -12.637 1.00 0.00 C ATOM 0 H ILE B 39 -5.250 1.991 -10.706 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.502 4.403 -9.534 1.00 0.00 H new ATOM 0 HB ILE B 39 -6.494 3.599 -11.637 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -5.059 5.244 -13.031 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -4.001 5.370 -11.640 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -7.104 5.980 -12.118 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -7.704 5.427 -10.537 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -6.267 6.473 -10.627 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -3.104 3.819 -13.286 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -3.509 2.964 -11.779 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -4.584 2.836 -13.192 1.00 0.00 H new ATOM 1587 N HIS B 40 -7.590 3.394 -8.702 1.00 0.00 N ATOM 1588 CA HIS B 40 -8.717 3.576 -7.747 1.00 0.00 C ATOM 1589 C HIS B 40 -8.218 3.500 -6.294 1.00 0.00 C ATOM 1590 O HIS B 40 -8.628 4.302 -5.424 1.00 0.00 O ATOM 1591 CB HIS B 40 -9.832 2.523 -7.981 1.00 0.00 C ATOM 1592 CG HIS B 40 -10.522 2.619 -9.311 1.00 0.00 C ATOM 1593 ND1 HIS B 40 -11.200 1.565 -9.878 1.00 0.00 N ATOM 1594 CD2 HIS B 40 -10.655 3.652 -10.173 1.00 0.00 C ATOM 1595 CE1 HIS B 40 -11.715 1.946 -11.028 1.00 0.00 C ATOM 1596 NE2 HIS B 40 -11.399 3.208 -11.232 1.00 0.00 N ATOM 0 H HIS B 40 -7.726 2.619 -9.350 1.00 0.00 H new ATOM 0 HA HIS B 40 -9.139 4.565 -7.924 1.00 0.00 H new ATOM 0 HB2 HIS B 40 -9.398 1.528 -7.884 1.00 0.00 H new ATOM 0 HB3 HIS B 40 -10.578 2.624 -7.193 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -10.249 4.645 -10.049 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -12.299 1.327 -11.693 1.00 0.00 H new ATOM 0 HE2 HIS B 40 -11.665 3.763 -12.045 1.00 0.00 H new ATOM 1605 N ALA B 41 -7.290 2.555 -6.057 1.00 0.00 N ATOM 1606 CA ALA B 41 -6.619 2.401 -4.774 1.00 0.00 C ATOM 1607 C ALA B 41 -5.857 3.689 -4.449 1.00 0.00 C ATOM 1608 O ALA B 41 -6.086 4.315 -3.422 1.00 0.00 O ATOM 1609 CB ALA B 41 -5.681 1.184 -4.812 1.00 0.00 C ATOM 0 H ALA B 41 -6.990 1.879 -6.760 1.00 0.00 H new ATOM 0 HA ALA B 41 -7.353 2.225 -3.987 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -5.184 1.077 -3.848 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -6.260 0.285 -5.023 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -4.933 1.325 -5.592 1.00 0.00 H new ATOM 1615 N ILE B 42 -5.026 4.130 -5.392 1.00 0.00 N ATOM 1616 CA ILE B 42 -4.241 5.358 -5.248 1.00 0.00 C ATOM 1617 C ILE B 42 -5.142 6.605 -5.060 1.00 0.00 C ATOM 1618 O ILE B 42 -4.741 7.557 -4.397 1.00 0.00 O ATOM 1619 CB ILE B 42 -3.260 5.527 -6.449 1.00 0.00 C ATOM 1620 CG1 ILE B 42 -2.250 4.342 -6.465 1.00 0.00 C ATOM 1621 CG2 ILE B 42 -2.518 6.878 -6.404 1.00 0.00 C ATOM 1622 CD1 ILE B 42 -1.438 4.245 -7.721 1.00 0.00 C ATOM 0 H ILE B 42 -4.877 3.647 -6.278 1.00 0.00 H new ATOM 0 HA ILE B 42 -3.647 5.267 -4.339 1.00 0.00 H new ATOM 0 HB ILE B 42 -3.844 5.519 -7.369 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -1.574 4.443 -5.616 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -2.798 3.410 -6.327 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -1.846 6.953 -7.259 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -3.242 7.692 -6.439 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.941 6.946 -5.482 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -0.760 3.394 -7.651 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.103 4.110 -8.574 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -0.860 5.160 -7.852 1.00 0.00 H new ATOM 1634 N GLU B 43 -6.388 6.546 -5.560 1.00 0.00 N ATOM 1635 CA GLU B 43 -7.344 7.653 -5.419 1.00 0.00 C ATOM 1636 C GLU B 43 -7.733 7.832 -3.945 1.00 0.00 C ATOM 1637 O GLU B 43 -7.962 8.957 -3.512 1.00 0.00 O ATOM 1638 CB GLU B 43 -8.592 7.468 -6.323 1.00 0.00 C ATOM 1639 CG GLU B 43 -8.314 7.480 -7.839 1.00 0.00 C ATOM 1640 CD GLU B 43 -7.613 8.758 -8.326 1.00 0.00 C ATOM 1641 OE1 GLU B 43 -8.313 9.757 -8.602 1.00 0.00 O ATOM 1642 OE2 GLU B 43 -6.362 8.773 -8.434 1.00 0.00 O ATOM 0 H GLU B 43 -6.756 5.740 -6.066 1.00 0.00 H new ATOM 0 HA GLU B 43 -6.853 8.565 -5.759 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -9.070 6.523 -6.065 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -9.306 8.259 -6.095 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -7.697 6.618 -8.094 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -9.257 7.367 -8.374 1.00 0.00 H new ATOM 1649 N SER B 44 -7.758 6.718 -3.175 1.00 0.00 N ATOM 1650 CA SER B 44 -7.869 6.771 -1.693 1.00 0.00 C ATOM 1651 C SER B 44 -6.716 7.555 -1.052 1.00 0.00 C ATOM 1652 O SER B 44 -6.925 8.292 -0.074 1.00 0.00 O ATOM 1653 CB SER B 44 -7.901 5.350 -1.089 1.00 0.00 C ATOM 1654 OG SER B 44 -9.177 4.751 -1.244 1.00 0.00 O ATOM 0 H SER B 44 -7.703 5.772 -3.553 1.00 0.00 H new ATOM 0 HA SER B 44 -8.804 7.287 -1.475 1.00 0.00 H new ATOM 0 HB2 SER B 44 -7.145 4.730 -1.572 1.00 0.00 H new ATOM 0 HB3 SER B 44 -7.646 5.397 -0.030 1.00 0.00 H new ATOM 0 HG SER B 44 -9.546 4.535 -0.362 1.00 0.00 H new ATOM 1660 N ILE B 45 -5.500 7.384 -1.606 1.00 0.00 N ATOM 1661 CA ILE B 45 -4.294 8.008 -1.052 1.00 0.00 C ATOM 1662 C ILE B 45 -4.395 9.537 -1.250 1.00 0.00 C ATOM 1663 O ILE B 45 -4.094 10.317 -0.343 1.00 0.00 O ATOM 1664 CB ILE B 45 -2.940 7.448 -1.693 1.00 0.00 C ATOM 1665 CG1 ILE B 45 -3.017 5.931 -2.052 1.00 0.00 C ATOM 1666 CG2 ILE B 45 -1.784 7.640 -0.718 1.00 0.00 C ATOM 1667 CD1 ILE B 45 -3.071 4.981 -0.878 1.00 0.00 C ATOM 0 H ILE B 45 -5.332 6.817 -2.437 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.246 7.758 0.008 1.00 0.00 H new ATOM 0 HB ILE B 45 -2.784 8.011 -2.613 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -3.900 5.767 -2.669 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -2.150 5.677 -2.662 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.866 7.256 -1.162 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.665 8.701 -0.499 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -1.994 7.100 0.206 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -3.123 3.955 -1.242 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -2.176 5.105 -0.268 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -3.953 5.197 -0.276 1.00 0.00 H new ATOM 1679 N LYS B 46 -4.907 9.943 -2.430 1.00 0.00 N ATOM 1680 CA LYS B 46 -5.030 11.368 -2.832 1.00 0.00 C ATOM 1681 C LYS B 46 -5.987 12.183 -1.940 1.00 0.00 C ATOM 1682 O LYS B 46 -5.938 13.418 -1.930 1.00 0.00 O ATOM 1683 CB LYS B 46 -5.492 11.498 -4.323 1.00 0.00 C ATOM 1684 CG LYS B 46 -4.874 10.502 -5.337 1.00 0.00 C ATOM 1685 CD LYS B 46 -3.357 10.279 -5.158 1.00 0.00 C ATOM 1686 CE LYS B 46 -2.525 11.532 -5.375 1.00 0.00 C ATOM 1687 NZ LYS B 46 -2.407 11.886 -6.810 1.00 0.00 N ATOM 0 H LYS B 46 -5.249 9.292 -3.137 1.00 0.00 H new ATOM 0 HA LYS B 46 -4.030 11.785 -2.709 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -6.576 11.385 -4.354 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -5.267 12.510 -4.661 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -5.384 9.543 -5.245 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -5.060 10.867 -6.347 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -3.171 9.899 -4.153 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -3.027 9.509 -5.856 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -2.976 12.364 -4.834 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -1.530 11.382 -4.957 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -1.493 12.352 -6.978 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -2.467 11.023 -7.387 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -3.179 12.532 -7.073 1.00 0.00 H new ATOM 1701 N ARG B 47 -6.845 11.474 -1.216 1.00 0.00 N ATOM 1702 CA ARG B 47 -7.924 12.085 -0.406 1.00 0.00 C ATOM 1703 C ARG B 47 -7.386 12.747 0.886 1.00 0.00 C ATOM 1704 O ARG B 47 -7.622 13.939 1.122 1.00 0.00 O ATOM 1705 CB ARG B 47 -9.009 11.034 -0.044 1.00 0.00 C ATOM 1706 CG ARG B 47 -9.576 10.239 -1.229 1.00 0.00 C ATOM 1707 CD ARG B 47 -10.149 11.124 -2.351 1.00 0.00 C ATOM 1708 NE ARG B 47 -10.511 10.322 -3.533 1.00 0.00 N ATOM 1709 CZ ARG B 47 -10.590 10.777 -4.787 1.00 0.00 C ATOM 1710 NH1 ARG B 47 -10.384 12.059 -5.074 1.00 0.00 N ATOM 1711 NH2 ARG B 47 -10.874 9.934 -5.762 1.00 0.00 N ATOM 0 H ARG B 47 -6.823 10.455 -1.165 1.00 0.00 H new ATOM 0 HA ARG B 47 -8.370 12.867 -1.021 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -8.585 10.331 0.674 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -9.832 11.544 0.457 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -8.789 9.609 -1.642 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -10.360 9.574 -0.867 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -11.028 11.654 -1.986 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -9.415 11.879 -2.632 1.00 0.00 H new ATOM 0 HE ARG B 47 -10.719 9.335 -3.381 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -10.160 12.719 -4.329 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -10.450 12.383 -6.039 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -11.030 8.948 -5.554 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -10.937 10.269 -6.723 1.00 0.00 H new ATOM 1725 N ASN B 48 -6.648 11.964 1.703 1.00 0.00 N ATOM 1726 CA ASN B 48 -6.266 12.387 3.083 1.00 0.00 C ATOM 1727 C ASN B 48 -5.172 11.481 3.708 1.00 0.00 C ATOM 1728 O ASN B 48 -4.945 11.535 4.907 1.00 0.00 O ATOM 1729 CB ASN B 48 -7.543 12.460 3.996 1.00 0.00 C ATOM 1730 CG ASN B 48 -7.343 13.048 5.408 1.00 0.00 C ATOM 1731 OD1 ASN B 48 -8.023 12.646 6.352 1.00 0.00 O ATOM 1732 ND2 ASN B 48 -6.433 14.008 5.560 1.00 0.00 N ATOM 0 H ASN B 48 -6.303 11.041 1.440 1.00 0.00 H new ATOM 0 HA ASN B 48 -5.826 13.381 3.011 1.00 0.00 H new ATOM 0 HB2 ASN B 48 -8.297 13.055 3.482 1.00 0.00 H new ATOM 0 HB3 ASN B 48 -7.947 11.453 4.099 1.00 0.00 H new ATOM 0 HD21 ASN B 48 -6.285 14.430 6.477 1.00 0.00 H new ATOM 0 HD22 ASN B 48 -5.884 14.321 4.760 1.00 0.00 H new ATOM 1739 N SER B 49 -4.463 10.685 2.890 1.00 0.00 N ATOM 1740 CA SER B 49 -3.459 9.706 3.398 1.00 0.00 C ATOM 1741 C SER B 49 -2.313 10.381 4.184 1.00 0.00 C ATOM 1742 O SER B 49 -1.823 9.834 5.179 1.00 0.00 O ATOM 1743 CB SER B 49 -2.852 8.940 2.241 1.00 0.00 C ATOM 1744 OG SER B 49 -2.053 9.813 1.446 1.00 0.00 O ATOM 0 H SER B 49 -4.559 10.692 1.875 1.00 0.00 H new ATOM 0 HA SER B 49 -3.992 9.038 4.075 1.00 0.00 H new ATOM 0 HB2 SER B 49 -2.243 8.118 2.617 1.00 0.00 H new ATOM 0 HB3 SER B 49 -3.641 8.499 1.632 1.00 0.00 H new ATOM 0 HG SER B 49 -2.593 10.173 0.712 1.00 0.00 H new ATOM 1750 N ALA B 50 -1.890 11.566 3.707 1.00 0.00 N ATOM 1751 CA ALA B 50 -0.854 12.378 4.361 1.00 0.00 C ATOM 1752 C ALA B 50 -1.285 12.852 5.770 1.00 0.00 C ATOM 1753 O ALA B 50 -0.436 13.170 6.609 1.00 0.00 O ATOM 1754 CB ALA B 50 -0.463 13.561 3.459 1.00 0.00 C ATOM 0 H ALA B 50 -2.260 11.986 2.854 1.00 0.00 H new ATOM 0 HA ALA B 50 0.024 11.748 4.507 1.00 0.00 H new ATOM 0 HB1 ALA B 50 0.305 14.156 3.952 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -0.077 13.184 2.512 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -1.339 14.182 3.273 1.00 0.00 H new ATOM 1760 N GLY B 51 -2.610 12.891 6.015 1.00 0.00 N ATOM 1761 CA GLY B 51 -3.169 13.202 7.341 1.00 0.00 C ATOM 1762 C GLY B 51 -3.804 11.998 8.039 1.00 0.00 C ATOM 1763 O GLY B 51 -4.220 12.109 9.198 1.00 0.00 O ATOM 0 H GLY B 51 -3.317 12.709 5.303 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -2.377 13.602 7.974 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -3.919 13.986 7.235 1.00 0.00 H new ATOM 1767 N ALA B 52 -3.891 10.856 7.326 1.00 0.00 N ATOM 1768 CA ALA B 52 -4.486 9.601 7.837 1.00 0.00 C ATOM 1769 C ALA B 52 -3.671 9.038 9.006 1.00 0.00 C ATOM 1770 O ALA B 52 -2.450 9.026 8.952 1.00 0.00 O ATOM 1771 CB ALA B 52 -4.568 8.569 6.704 1.00 0.00 C ATOM 0 H ALA B 52 -3.547 10.777 6.369 1.00 0.00 H new ATOM 0 HA ALA B 52 -5.489 9.820 8.202 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -5.007 7.646 7.084 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -5.189 8.961 5.899 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -3.567 8.366 6.324 1.00 0.00 H new ATOM 1777 N ASP B 53 -4.355 8.560 10.049 1.00 0.00 N ATOM 1778 CA ASP B 53 -3.707 8.020 11.263 1.00 0.00 C ATOM 1779 C ASP B 53 -2.913 6.732 10.935 1.00 0.00 C ATOM 1780 O ASP B 53 -3.226 6.037 9.974 1.00 0.00 O ATOM 1781 CB ASP B 53 -4.794 7.783 12.346 1.00 0.00 C ATOM 1782 CG ASP B 53 -4.297 7.158 13.664 1.00 0.00 C ATOM 1783 OD1 ASP B 53 -3.194 7.512 14.141 1.00 0.00 O ATOM 1784 OD2 ASP B 53 -5.021 6.328 14.247 1.00 0.00 O ATOM 0 H ASP B 53 -5.374 8.533 10.083 1.00 0.00 H new ATOM 0 HA ASP B 53 -2.983 8.737 11.651 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -5.268 8.738 12.574 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -5.565 7.136 11.926 1.00 0.00 H new ATOM 1789 N THR B 54 -1.851 6.464 11.696 1.00 0.00 N ATOM 1790 CA THR B 54 -1.004 5.268 11.513 1.00 0.00 C ATOM 1791 C THR B 54 -1.112 4.366 12.756 1.00 0.00 C ATOM 1792 O THR B 54 -0.790 4.789 13.869 1.00 0.00 O ATOM 1793 CB THR B 54 0.480 5.686 11.238 1.00 0.00 C ATOM 1794 OG1 THR B 54 0.515 6.611 10.130 1.00 0.00 O ATOM 1795 CG2 THR B 54 1.392 4.484 10.916 1.00 0.00 C ATOM 0 H THR B 54 -1.547 7.067 12.460 1.00 0.00 H new ATOM 0 HA THR B 54 -1.352 4.705 10.647 1.00 0.00 H new ATOM 0 HB THR B 54 0.858 6.148 12.150 1.00 0.00 H new ATOM 0 HG1 THR B 54 1.442 6.877 9.955 1.00 0.00 H new ATOM 0 HG21 THR B 54 2.408 4.836 10.735 1.00 0.00 H new ATOM 0 HG22 THR B 54 1.393 3.792 11.758 1.00 0.00 H new ATOM 0 HG23 THR B 54 1.021 3.974 10.027 1.00 0.00 H new ATOM 1803 N VAL B 55 -1.591 3.124 12.553 1.00 0.00 N ATOM 1804 CA VAL B 55 -1.918 2.167 13.635 1.00 0.00 C ATOM 1805 C VAL B 55 -1.211 0.837 13.358 1.00 0.00 C ATOM 1806 O VAL B 55 -1.387 0.292 12.270 1.00 0.00 O ATOM 1807 CB VAL B 55 -3.471 1.873 13.701 1.00 0.00 C ATOM 1808 CG1 VAL B 55 -3.841 1.038 14.954 1.00 0.00 C ATOM 1809 CG2 VAL B 55 -4.294 3.171 13.623 1.00 0.00 C ATOM 0 H VAL B 55 -1.765 2.749 11.621 1.00 0.00 H new ATOM 0 HA VAL B 55 -1.594 2.609 14.577 1.00 0.00 H new ATOM 0 HB VAL B 55 -3.725 1.274 12.827 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -4.916 0.856 14.965 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -3.312 0.086 14.926 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -3.556 1.585 15.853 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -5.356 2.932 13.671 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -4.030 3.820 14.458 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -4.079 3.682 12.684 1.00 0.00 H new ATOM 1819 N ASP B 56 -0.425 0.311 14.322 1.00 0.00 N ATOM 1820 CA ASP B 56 0.150 -1.048 14.211 1.00 0.00 C ATOM 1821 C ASP B 56 -0.635 -2.040 15.097 1.00 0.00 C ATOM 1822 O ASP B 56 -0.574 -1.989 16.322 1.00 0.00 O ATOM 1823 CB ASP B 56 1.690 -1.074 14.494 1.00 0.00 C ATOM 1824 CG ASP B 56 2.115 -0.569 15.884 1.00 0.00 C ATOM 1825 OD1 ASP B 56 2.119 0.664 16.100 1.00 0.00 O ATOM 1826 OD2 ASP B 56 2.453 -1.392 16.764 1.00 0.00 O ATOM 0 H ASP B 56 -0.175 0.802 15.180 1.00 0.00 H new ATOM 0 HA ASP B 56 0.042 -1.372 13.176 1.00 0.00 H new ATOM 0 HB2 ASP B 56 2.047 -2.097 14.373 1.00 0.00 H new ATOM 0 HB3 ASP B 56 2.191 -0.470 13.738 1.00 0.00 H new ATOM 1831 N LEU B 57 -1.423 -2.911 14.433 1.00 0.00 N ATOM 1832 CA LEU B 57 -2.215 -3.986 15.066 1.00 0.00 C ATOM 1833 C LEU B 57 -1.316 -5.139 15.568 1.00 0.00 C ATOM 1834 O LEU B 57 -1.740 -5.948 16.398 1.00 0.00 O ATOM 1835 CB LEU B 57 -3.245 -4.542 14.047 1.00 0.00 C ATOM 1836 CG LEU B 57 -4.184 -3.491 13.370 1.00 0.00 C ATOM 1837 CD1 LEU B 57 -5.094 -4.153 12.310 1.00 0.00 C ATOM 1838 CD2 LEU B 57 -5.008 -2.722 14.430 1.00 0.00 C ATOM 0 H LEU B 57 -1.529 -2.886 13.419 1.00 0.00 H new ATOM 0 HA LEU B 57 -2.729 -3.559 15.927 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -2.701 -5.070 13.264 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -3.866 -5.279 14.556 1.00 0.00 H new ATOM 0 HG LEU B 57 -3.558 -2.766 12.850 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -5.735 -3.397 11.857 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -4.478 -4.615 11.539 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -5.712 -4.915 12.786 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -5.653 -1.997 13.934 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -5.620 -3.425 14.995 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -4.332 -2.202 15.109 1.00 0.00 H new ATOM 1850 N THR B 58 -0.059 -5.157 15.085 1.00 0.00 N ATOM 1851 CA THR B 58 0.938 -6.197 15.402 1.00 0.00 C ATOM 1852 C THR B 58 1.773 -5.791 16.658 1.00 0.00 C ATOM 1853 O THR B 58 2.893 -6.270 16.825 1.00 0.00 O ATOM 1854 CB THR B 58 1.860 -6.447 14.145 1.00 0.00 C ATOM 1855 OG1 THR B 58 2.795 -7.520 14.372 1.00 0.00 O ATOM 1856 CG2 THR B 58 2.625 -5.183 13.703 1.00 0.00 C ATOM 0 H THR B 58 0.297 -4.439 14.454 1.00 0.00 H new ATOM 0 HA THR B 58 0.426 -7.129 15.641 1.00 0.00 H new ATOM 0 HB THR B 58 1.182 -6.729 13.339 1.00 0.00 H new ATOM 0 HG1 THR B 58 3.136 -7.468 15.289 1.00 0.00 H new ATOM 0 HG21 THR B 58 3.242 -5.416 12.835 1.00 0.00 H new ATOM 0 HG22 THR B 58 1.913 -4.399 13.443 1.00 0.00 H new ATOM 0 HG23 THR B 58 3.261 -4.839 14.518 1.00 0.00 H new ATOM 1864 N THR B 59 1.173 -4.912 17.521 1.00 0.00 N ATOM 1865 CA THR B 59 1.752 -4.390 18.804 1.00 0.00 C ATOM 1866 C THR B 59 2.770 -5.343 19.482 1.00 0.00 C ATOM 1867 O THR B 59 3.926 -4.967 19.710 1.00 0.00 O ATOM 1868 CB THR B 59 0.623 -4.046 19.837 1.00 0.00 C ATOM 1869 OG1 THR B 59 -0.147 -5.224 20.141 1.00 0.00 O ATOM 1870 CG2 THR B 59 -0.321 -2.949 19.328 1.00 0.00 C ATOM 0 H THR B 59 0.243 -4.535 17.337 1.00 0.00 H new ATOM 0 HA THR B 59 2.295 -3.491 18.512 1.00 0.00 H new ATOM 0 HB THR B 59 1.118 -3.675 20.734 1.00 0.00 H new ATOM 0 HG1 THR B 59 -0.848 -4.999 20.788 1.00 0.00 H new ATOM 0 HG21 THR B 59 -1.084 -2.748 20.080 1.00 0.00 H new ATOM 0 HG22 THR B 59 0.248 -2.039 19.136 1.00 0.00 H new ATOM 0 HG23 THR B 59 -0.799 -3.279 18.405 1.00 0.00 H new