USER MOD reduce.3.24.130724 H: found=0, std=0, add=920, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 926 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 Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.18 K(o=-1.2,f=-2.2) USER MOD Single : A 13 TYR OH : rot -43:sc= 0.00804 USER MOD Single : A 14 GLN : amide:sc= -1.62 K(o=-1.6,f=-2.3) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.079) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -112:sc= -0.0153 (180deg=-0.304) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.021 X(o=-0.021,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0021) USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD Single : B 12 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.1) USER MOD Single : B 13 TYR OH : rot -42:sc= 0.0085 USER MOD Single : B 14 GLN : amide:sc= -1.65 K(o=-1.6,f=-2.3) USER MOD Single : B 16 THR OG1 : rot 180:sc= -0.133 USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.069) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 LYS NZ :NH3+ -122:sc=-0.00241 (180deg=-0.252) USER MOD Single : B 36 THR OG1 : rot 180:sc= 0 USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 GLN : amide:sc= -0.0273 X(o=-0.027,f=0) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -5.572 -10.870 12.676 1.00 0.00 N ATOM 2 CA ALA A 2 -6.663 -10.508 11.725 1.00 0.00 C ATOM 3 C ALA A 2 -7.063 -9.041 11.908 1.00 0.00 C ATOM 4 O ALA A 2 -7.683 -8.675 12.888 1.00 0.00 O ATOM 5 CB ALA A 2 -7.827 -11.430 12.089 1.00 0.00 C ATOM 0 HA ALA A 2 -6.359 -10.625 10.685 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -8.672 -11.225 11.432 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.519 -12.469 11.971 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.121 -11.254 13.124 1.00 0.00 H new ATOM 13 N VAL A 3 -6.710 -8.200 10.968 1.00 0.00 N ATOM 14 CA VAL A 3 -7.065 -6.752 11.076 1.00 0.00 C ATOM 15 C VAL A 3 -7.884 -6.322 9.856 1.00 0.00 C ATOM 16 O VAL A 3 -7.553 -6.650 8.732 1.00 0.00 O ATOM 17 CB VAL A 3 -5.725 -6.008 11.113 1.00 0.00 C ATOM 18 CG1 VAL A 3 -5.974 -4.503 11.244 1.00 0.00 C ATOM 19 CG2 VAL A 3 -4.902 -6.489 12.311 1.00 0.00 C ATOM 0 H VAL A 3 -6.190 -8.455 10.128 1.00 0.00 H new ATOM 0 HA VAL A 3 -7.668 -6.540 11.959 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.180 -6.209 10.191 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.020 -3.977 11.270 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.557 -4.155 10.391 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.523 -4.304 12.164 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.950 -5.959 12.335 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.451 -6.292 13.232 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.719 -7.560 12.220 1.00 0.00 H new ATOM 29 N GLU A 4 -8.949 -5.590 10.070 1.00 0.00 N ATOM 30 CA GLU A 4 -9.791 -5.136 8.923 1.00 0.00 C ATOM 31 C GLU A 4 -9.902 -3.609 8.908 1.00 0.00 C ATOM 32 O GLU A 4 -9.798 -2.959 9.931 1.00 0.00 O ATOM 33 CB GLU A 4 -11.166 -5.769 9.158 1.00 0.00 C ATOM 34 CG GLU A 4 -11.923 -5.881 7.825 1.00 0.00 C ATOM 35 CD GLU A 4 -13.126 -4.933 7.827 1.00 0.00 C ATOM 36 OE1 GLU A 4 -12.926 -3.753 7.586 1.00 0.00 O ATOM 37 OE2 GLU A 4 -14.226 -5.404 8.066 1.00 0.00 O ATOM 0 H GLU A 4 -9.271 -5.288 10.990 1.00 0.00 H new ATOM 0 HA GLU A 4 -9.364 -5.431 7.964 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -11.050 -6.756 9.605 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.739 -5.166 9.862 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.257 -5.636 6.997 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -12.258 -6.907 7.672 1.00 0.00 H new ATOM 44 N GLU A 5 -10.119 -3.038 7.750 1.00 0.00 N ATOM 45 CA GLU A 5 -10.246 -1.554 7.648 1.00 0.00 C ATOM 46 C GLU A 5 -11.097 -1.190 6.427 1.00 0.00 C ATOM 47 O GLU A 5 -11.303 -2.002 5.545 1.00 0.00 O ATOM 48 CB GLU A 5 -8.816 -1.036 7.488 1.00 0.00 C ATOM 49 CG GLU A 5 -8.721 0.401 8.027 1.00 0.00 C ATOM 50 CD GLU A 5 -7.590 0.499 9.055 1.00 0.00 C ATOM 51 OE1 GLU A 5 -6.467 0.174 8.706 1.00 0.00 O ATOM 52 OE2 GLU A 5 -7.867 0.898 10.174 1.00 0.00 O ATOM 0 H GLU A 5 -10.214 -3.540 6.867 1.00 0.00 H new ATOM 0 HA GLU A 5 -10.732 -1.117 8.520 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.123 -1.683 8.026 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.526 -1.060 6.438 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.539 1.095 7.206 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.667 0.690 8.485 1.00 0.00 H new ATOM 59 N ILE A 6 -11.599 0.019 6.377 1.00 0.00 N ATOM 60 CA ILE A 6 -12.449 0.431 5.219 1.00 0.00 C ATOM 61 C ILE A 6 -12.044 1.824 4.717 1.00 0.00 C ATOM 62 O ILE A 6 -11.503 2.628 5.452 1.00 0.00 O ATOM 63 CB ILE A 6 -13.883 0.436 5.768 1.00 0.00 C ATOM 64 CG1 ILE A 6 -14.860 0.854 4.664 1.00 0.00 C ATOM 65 CG2 ILE A 6 -13.996 1.414 6.943 1.00 0.00 C ATOM 66 CD1 ILE A 6 -16.297 0.670 5.159 1.00 0.00 C ATOM 0 H ILE A 6 -11.457 0.737 7.087 1.00 0.00 H new ATOM 0 HA ILE A 6 -12.342 -0.241 4.367 1.00 0.00 H new ATOM 0 HB ILE A 6 -14.129 -0.568 6.113 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -14.690 1.894 4.387 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -14.693 0.255 3.769 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -15.017 1.409 7.324 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -13.312 1.111 7.736 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -13.739 2.418 6.606 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -16.993 0.967 4.374 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -16.463 -0.377 5.414 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -16.460 1.289 6.042 1.00 0.00 H new ATOM 78 N VAL A 7 -12.310 2.108 3.466 1.00 0.00 N ATOM 79 CA VAL A 7 -11.953 3.443 2.895 1.00 0.00 C ATOM 80 C VAL A 7 -12.581 3.603 1.503 1.00 0.00 C ATOM 81 O VAL A 7 -12.929 2.632 0.857 1.00 0.00 O ATOM 82 CB VAL A 7 -10.419 3.448 2.812 1.00 0.00 C ATOM 83 CG1 VAL A 7 -9.938 2.298 1.920 1.00 0.00 C ATOM 84 CG2 VAL A 7 -9.940 4.781 2.226 1.00 0.00 C ATOM 0 H VAL A 7 -12.762 1.468 2.812 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.322 4.269 3.503 1.00 0.00 H new ATOM 0 HB VAL A 7 -10.009 3.320 3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -8.849 2.309 1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.271 1.349 2.339 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -10.351 2.417 0.918 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.852 4.783 2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -10.357 4.910 1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -10.270 5.599 2.866 1.00 0.00 H new ATOM 94 N LYS A 8 -12.726 4.821 1.042 1.00 0.00 N ATOM 95 CA LYS A 8 -13.330 5.049 -0.307 1.00 0.00 C ATOM 96 C LYS A 8 -12.239 5.410 -1.324 1.00 0.00 C ATOM 97 O LYS A 8 -11.080 5.081 -1.146 1.00 0.00 O ATOM 98 CB LYS A 8 -14.328 6.206 -0.117 1.00 0.00 C ATOM 99 CG LYS A 8 -13.592 7.513 0.222 1.00 0.00 C ATOM 100 CD LYS A 8 -14.401 8.315 1.256 1.00 0.00 C ATOM 101 CE LYS A 8 -14.715 9.711 0.706 1.00 0.00 C ATOM 102 NZ LYS A 8 -13.462 10.494 0.903 1.00 0.00 N ATOM 0 H LYS A 8 -12.452 5.667 1.542 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.828 4.160 -0.694 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.915 6.339 -1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -15.028 5.960 0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.600 7.291 0.616 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.450 8.106 -0.682 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.327 7.791 1.491 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.837 8.399 2.185 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.992 9.667 -0.347 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.552 10.165 1.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.599 11.463 0.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.227 10.524 1.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.684 10.042 0.381 1.00 0.00 H new ATOM 116 N VAL A 9 -12.604 6.084 -2.384 1.00 0.00 N ATOM 117 CA VAL A 9 -11.595 6.473 -3.417 1.00 0.00 C ATOM 118 C VAL A 9 -11.934 7.855 -3.978 1.00 0.00 C ATOM 119 O VAL A 9 -13.036 8.094 -4.435 1.00 0.00 O ATOM 120 CB VAL A 9 -11.699 5.411 -4.517 1.00 0.00 C ATOM 121 CG1 VAL A 9 -10.651 5.694 -5.596 1.00 0.00 C ATOM 122 CG2 VAL A 9 -11.451 4.021 -3.923 1.00 0.00 C ATOM 0 H VAL A 9 -13.559 6.383 -2.580 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.587 6.525 -3.005 1.00 0.00 H new ATOM 0 HB VAL A 9 -12.697 5.443 -4.954 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.723 4.940 -6.380 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.827 6.681 -6.025 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.655 5.663 -5.153 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.526 3.270 -4.710 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.455 3.986 -3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.195 3.816 -3.154 1.00 0.00 H new ATOM 132 N SER A 10 -10.993 8.763 -3.949 1.00 0.00 N ATOM 133 CA SER A 10 -11.253 10.133 -4.479 1.00 0.00 C ATOM 134 C SER A 10 -9.963 10.747 -5.032 1.00 0.00 C ATOM 135 O SER A 10 -8.959 10.079 -5.181 1.00 0.00 O ATOM 136 CB SER A 10 -11.760 10.936 -3.277 1.00 0.00 C ATOM 137 OG SER A 10 -12.948 11.628 -3.641 1.00 0.00 O ATOM 0 H SER A 10 -10.054 8.613 -3.580 1.00 0.00 H new ATOM 0 HA SER A 10 -11.973 10.126 -5.297 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.956 10.270 -2.437 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.998 11.644 -2.951 1.00 0.00 H new ATOM 0 HG SER A 10 -13.276 12.141 -2.873 1.00 0.00 H new ATOM 143 N ARG A 11 -9.994 12.020 -5.329 1.00 0.00 N ATOM 144 CA ARG A 11 -8.787 12.722 -5.873 1.00 0.00 C ATOM 145 C ARG A 11 -8.278 12.045 -7.159 1.00 0.00 C ATOM 146 O ARG A 11 -8.623 12.459 -8.251 1.00 0.00 O ATOM 147 CB ARG A 11 -7.736 12.674 -4.753 1.00 0.00 C ATOM 148 CG ARG A 11 -6.466 13.395 -5.213 1.00 0.00 C ATOM 149 CD ARG A 11 -5.379 13.250 -4.146 1.00 0.00 C ATOM 150 NE ARG A 11 -4.356 14.284 -4.492 1.00 0.00 N ATOM 151 CZ ARG A 11 -3.400 14.049 -5.372 1.00 0.00 C ATOM 152 NH1 ARG A 11 -3.316 12.907 -6.015 1.00 0.00 N ATOM 153 NH2 ARG A 11 -2.522 14.984 -5.617 1.00 0.00 N ATOM 0 H ARG A 11 -10.816 12.614 -5.217 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.016 13.750 -6.154 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.128 13.145 -3.852 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.507 11.639 -4.498 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.120 12.977 -6.158 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.678 14.449 -5.390 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.783 13.413 -3.147 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.947 12.249 -4.156 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.398 15.195 -4.036 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.001 12.172 -5.840 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.566 12.755 -6.689 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.581 15.879 -5.132 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.777 14.819 -6.294 1.00 0.00 H new ATOM 167 N ASN A 12 -7.454 11.026 -7.051 1.00 0.00 N ATOM 168 CA ASN A 12 -6.925 10.356 -8.279 1.00 0.00 C ATOM 169 C ASN A 12 -6.589 8.888 -7.997 1.00 0.00 C ATOM 170 O ASN A 12 -5.471 8.448 -8.189 1.00 0.00 O ATOM 171 CB ASN A 12 -5.659 11.140 -8.632 1.00 0.00 C ATOM 172 CG ASN A 12 -6.039 12.400 -9.411 1.00 0.00 C ATOM 173 OD1 ASN A 12 -6.878 12.356 -10.288 1.00 0.00 O ATOM 174 ND2 ASN A 12 -5.450 13.531 -9.128 1.00 0.00 N ATOM 0 H ASN A 12 -7.128 10.633 -6.168 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.652 10.354 -9.091 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.121 11.410 -7.723 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.989 10.520 -9.227 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.695 14.376 -9.643 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -4.745 13.569 -8.392 1.00 0.00 H new ATOM 181 N TYR A 13 -7.555 8.123 -7.550 1.00 0.00 N ATOM 182 CA TYR A 13 -7.315 6.669 -7.259 1.00 0.00 C ATOM 183 C TYR A 13 -6.082 6.474 -6.363 1.00 0.00 C ATOM 184 O TYR A 13 -5.331 5.531 -6.534 1.00 0.00 O ATOM 185 CB TYR A 13 -7.080 6.015 -8.625 1.00 0.00 C ATOM 186 CG TYR A 13 -8.292 6.208 -9.507 1.00 0.00 C ATOM 187 CD1 TYR A 13 -8.448 7.395 -10.234 1.00 0.00 C ATOM 188 CD2 TYR A 13 -9.256 5.198 -9.602 1.00 0.00 C ATOM 189 CE1 TYR A 13 -9.567 7.569 -11.057 1.00 0.00 C ATOM 190 CE2 TYR A 13 -10.375 5.373 -10.425 1.00 0.00 C ATOM 191 CZ TYR A 13 -10.532 6.559 -11.151 1.00 0.00 C ATOM 192 OH TYR A 13 -11.634 6.731 -11.964 1.00 0.00 O ATOM 0 H TYR A 13 -8.507 8.443 -7.372 1.00 0.00 H new ATOM 0 HA TYR A 13 -8.159 6.230 -6.727 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.201 6.452 -9.100 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.878 4.951 -8.498 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -7.705 8.176 -10.160 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -9.137 4.283 -9.040 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -9.686 8.483 -11.620 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -11.117 4.592 -10.500 1.00 0.00 H new ATOM 0 HH TYR A 13 -11.981 7.641 -11.856 1.00 0.00 H new ATOM 202 N GLN A 14 -5.869 7.354 -5.418 1.00 0.00 N ATOM 203 CA GLN A 14 -4.683 7.216 -4.516 1.00 0.00 C ATOM 204 C GLN A 14 -5.129 6.773 -3.117 1.00 0.00 C ATOM 205 O GLN A 14 -6.309 6.690 -2.833 1.00 0.00 O ATOM 206 CB GLN A 14 -4.048 8.613 -4.473 1.00 0.00 C ATOM 207 CG GLN A 14 -5.039 9.633 -3.886 1.00 0.00 C ATOM 208 CD GLN A 14 -4.399 10.343 -2.688 1.00 0.00 C ATOM 209 OE1 GLN A 14 -3.211 10.593 -2.680 1.00 0.00 O ATOM 210 NE2 GLN A 14 -5.143 10.677 -1.670 1.00 0.00 N ATOM 0 H GLN A 14 -6.464 8.161 -5.231 1.00 0.00 H new ATOM 0 HA GLN A 14 -3.978 6.465 -4.871 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.141 8.589 -3.870 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.755 8.918 -5.478 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.319 10.362 -4.646 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.954 9.129 -3.576 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -6.141 10.467 -1.677 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -4.727 11.148 -0.867 1.00 0.00 H new ATOM 219 N VAL A 15 -4.192 6.490 -2.241 1.00 0.00 N ATOM 220 CA VAL A 15 -4.562 6.056 -0.859 1.00 0.00 C ATOM 221 C VAL A 15 -3.326 6.035 0.050 1.00 0.00 C ATOM 222 O VAL A 15 -2.245 5.654 -0.356 1.00 0.00 O ATOM 223 CB VAL A 15 -5.157 4.647 -1.023 1.00 0.00 C ATOM 224 CG1 VAL A 15 -4.131 3.704 -1.668 1.00 0.00 C ATOM 225 CG2 VAL A 15 -5.575 4.096 0.347 1.00 0.00 C ATOM 0 H VAL A 15 -3.190 6.541 -2.425 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.272 6.738 -0.391 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.032 4.711 -1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.568 2.711 -1.777 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.851 4.087 -2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.245 3.643 -1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.996 3.098 0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.704 4.045 1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.323 4.753 0.791 1.00 0.00 H new ATOM 235 N THR A 16 -3.488 6.440 1.286 1.00 0.00 N ATOM 236 CA THR A 16 -2.337 6.438 2.239 1.00 0.00 C ATOM 237 C THR A 16 -2.527 5.316 3.264 1.00 0.00 C ATOM 238 O THR A 16 -3.547 4.653 3.277 1.00 0.00 O ATOM 239 CB THR A 16 -2.358 7.817 2.913 1.00 0.00 C ATOM 240 OG1 THR A 16 -1.304 7.891 3.862 1.00 0.00 O ATOM 241 CG2 THR A 16 -3.698 8.041 3.620 1.00 0.00 C ATOM 0 H THR A 16 -4.370 6.772 1.676 1.00 0.00 H new ATOM 0 HA THR A 16 -1.382 6.262 1.744 1.00 0.00 H new ATOM 0 HB THR A 16 -2.227 8.587 2.153 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.313 8.771 4.293 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.700 9.023 4.094 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.507 7.988 2.891 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.842 7.272 4.379 1.00 0.00 H new ATOM 249 N ILE A 17 -1.557 5.092 4.115 1.00 0.00 N ATOM 250 CA ILE A 17 -1.692 3.997 5.127 1.00 0.00 C ATOM 251 C ILE A 17 -1.892 4.589 6.534 1.00 0.00 C ATOM 252 O ILE A 17 -1.176 5.492 6.920 1.00 0.00 O ATOM 253 CB ILE A 17 -0.373 3.210 5.068 1.00 0.00 C ATOM 254 CG1 ILE A 17 -0.053 2.795 3.619 1.00 0.00 C ATOM 255 CG2 ILE A 17 -0.492 1.958 5.941 1.00 0.00 C ATOM 256 CD1 ILE A 17 -1.196 1.952 3.042 1.00 0.00 C ATOM 0 H ILE A 17 -0.683 5.616 4.154 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.553 3.362 4.917 1.00 0.00 H new ATOM 0 HB ILE A 17 0.432 3.846 5.435 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.099 3.682 3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.876 2.226 3.593 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.442 1.397 5.902 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.697 2.251 6.971 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.306 1.334 5.573 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.956 1.666 2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.328 1.055 3.648 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.117 2.534 3.050 1.00 0.00 H new ATOM 268 N PRO A 18 -2.856 4.065 7.271 1.00 0.00 N ATOM 269 CA PRO A 18 -3.106 4.574 8.641 1.00 0.00 C ATOM 270 C PRO A 18 -1.976 4.145 9.578 1.00 0.00 C ATOM 271 O PRO A 18 -1.283 3.176 9.323 1.00 0.00 O ATOM 272 CB PRO A 18 -4.419 3.914 9.053 1.00 0.00 C ATOM 273 CG PRO A 18 -4.548 2.705 8.181 1.00 0.00 C ATOM 274 CD PRO A 18 -3.785 2.978 6.912 1.00 0.00 C ATOM 0 HA PRO A 18 -3.155 5.662 8.684 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.406 3.638 10.107 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.261 4.592 8.911 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.150 1.824 8.685 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.596 2.501 7.962 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.248 2.092 6.572 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.452 3.276 6.103 1.00 0.00 H new ATOM 282 N ALA A 19 -1.791 4.854 10.662 1.00 0.00 N ATOM 283 CA ALA A 19 -0.707 4.489 11.628 1.00 0.00 C ATOM 284 C ALA A 19 -0.910 3.060 12.154 1.00 0.00 C ATOM 285 O ALA A 19 0.015 2.435 12.636 1.00 0.00 O ATOM 286 CB ALA A 19 -0.827 5.501 12.771 1.00 0.00 C ATOM 0 H ALA A 19 -2.344 5.671 10.922 1.00 0.00 H new ATOM 0 HA ALA A 19 0.277 4.516 11.161 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.062 5.296 13.520 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.691 6.509 12.380 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.813 5.419 13.228 1.00 0.00 H new ATOM 292 N LYS A 20 -2.113 2.543 12.069 1.00 0.00 N ATOM 293 CA LYS A 20 -2.377 1.156 12.568 1.00 0.00 C ATOM 294 C LYS A 20 -1.719 0.121 11.648 1.00 0.00 C ATOM 295 O LYS A 20 -0.961 -0.719 12.098 1.00 0.00 O ATOM 296 CB LYS A 20 -3.899 1.004 12.549 1.00 0.00 C ATOM 297 CG LYS A 20 -4.457 1.250 13.955 1.00 0.00 C ATOM 298 CD LYS A 20 -5.986 1.116 13.941 1.00 0.00 C ATOM 299 CE LYS A 20 -6.633 2.497 14.082 1.00 0.00 C ATOM 300 NZ LYS A 20 -8.081 2.222 14.279 1.00 0.00 N ATOM 0 H LYS A 20 -2.923 3.022 11.676 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.966 0.996 13.565 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.337 1.711 11.844 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.171 0.005 12.208 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.027 0.535 14.657 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.174 2.245 14.299 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.310 0.646 13.012 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.310 0.468 14.756 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.216 3.044 14.927 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.464 3.105 13.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.594 3.121 14.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.452 1.706 13.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.212 1.647 15.136 1.00 0.00 H new ATOM 314 N VAL A 21 -1.991 0.176 10.363 1.00 0.00 N ATOM 315 CA VAL A 21 -1.364 -0.807 9.421 1.00 0.00 C ATOM 316 C VAL A 21 0.159 -0.670 9.486 1.00 0.00 C ATOM 317 O VAL A 21 0.880 -1.647 9.539 1.00 0.00 O ATOM 318 CB VAL A 21 -1.881 -0.433 8.024 1.00 0.00 C ATOM 319 CG1 VAL A 21 -1.264 -1.365 6.975 1.00 0.00 C ATOM 320 CG2 VAL A 21 -3.405 -0.570 7.985 1.00 0.00 C ATOM 0 H VAL A 21 -2.616 0.855 9.929 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.614 -1.838 9.670 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.600 0.597 7.805 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.634 -1.095 5.986 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.179 -1.268 6.995 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.540 -2.396 7.197 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.769 -0.304 6.993 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.684 -1.600 8.210 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.849 0.096 8.725 1.00 0.00 H new ATOM 330 N ARG A 22 0.645 0.545 9.491 1.00 0.00 N ATOM 331 CA ARG A 22 2.122 0.766 9.563 1.00 0.00 C ATOM 332 C ARG A 22 2.677 0.150 10.850 1.00 0.00 C ATOM 333 O ARG A 22 3.799 -0.316 10.893 1.00 0.00 O ATOM 334 CB ARG A 22 2.300 2.286 9.568 1.00 0.00 C ATOM 335 CG ARG A 22 1.984 2.837 8.177 1.00 0.00 C ATOM 336 CD ARG A 22 1.341 4.222 8.309 1.00 0.00 C ATOM 337 NE ARG A 22 2.483 5.165 8.528 1.00 0.00 N ATOM 338 CZ ARG A 22 2.290 6.465 8.625 1.00 0.00 C ATOM 339 NH1 ARG A 22 1.086 6.988 8.582 1.00 0.00 N ATOM 340 NH2 ARG A 22 3.321 7.249 8.778 1.00 0.00 N ATOM 0 H ARG A 22 0.083 1.395 9.448 1.00 0.00 H new ATOM 0 HA ARG A 22 2.654 0.303 8.732 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.641 2.738 10.309 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.321 2.543 9.850 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.897 2.903 7.585 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.311 2.160 7.651 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.781 4.483 7.411 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.639 4.253 9.143 1.00 0.00 H new ATOM 0 HE ARG A 22 3.430 4.794 8.604 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.271 6.384 8.471 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.966 7.998 8.660 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.260 6.854 8.821 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.188 8.257 8.855 1.00 0.00 H new ATOM 354 N GLN A 23 1.885 0.137 11.891 1.00 0.00 N ATOM 355 CA GLN A 23 2.347 -0.460 13.181 1.00 0.00 C ATOM 356 C GLN A 23 2.559 -1.965 12.999 1.00 0.00 C ATOM 357 O GLN A 23 3.611 -2.495 13.304 1.00 0.00 O ATOM 358 CB GLN A 23 1.214 -0.191 14.176 1.00 0.00 C ATOM 359 CG GLN A 23 1.794 0.064 15.568 1.00 0.00 C ATOM 360 CD GLN A 23 2.393 1.472 15.628 1.00 0.00 C ATOM 361 OE1 GLN A 23 3.530 1.645 16.022 1.00 0.00 O ATOM 362 NE2 GLN A 23 1.671 2.493 15.253 1.00 0.00 N ATOM 0 H GLN A 23 0.937 0.514 11.904 1.00 0.00 H new ATOM 0 HA GLN A 23 3.291 -0.037 13.526 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.631 0.671 13.852 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.535 -1.043 14.206 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.014 -0.042 16.322 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.560 -0.677 15.795 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.717 2.349 14.922 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.061 3.435 15.291 1.00 0.00 H new ATOM 371 N LYS A 24 1.565 -2.652 12.494 1.00 0.00 N ATOM 372 CA LYS A 24 1.695 -4.124 12.276 1.00 0.00 C ATOM 373 C LYS A 24 2.439 -4.406 10.966 1.00 0.00 C ATOM 374 O LYS A 24 3.550 -4.900 10.968 1.00 0.00 O ATOM 375 CB LYS A 24 0.255 -4.645 12.199 1.00 0.00 C ATOM 376 CG LYS A 24 -0.124 -5.344 13.513 1.00 0.00 C ATOM 377 CD LYS A 24 -1.094 -4.467 14.309 1.00 0.00 C ATOM 378 CE LYS A 24 -1.989 -5.353 15.184 1.00 0.00 C ATOM 379 NZ LYS A 24 -1.498 -5.143 16.576 1.00 0.00 N ATOM 0 H LYS A 24 0.666 -2.254 12.223 1.00 0.00 H new ATOM 0 HA LYS A 24 2.262 -4.608 13.071 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.429 -3.819 12.007 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.156 -5.341 11.366 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.583 -6.310 13.302 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.772 -5.539 14.103 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.539 -3.766 14.932 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.706 -3.874 13.629 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.038 -5.071 15.089 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.913 -6.401 14.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.063 -5.718 17.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.499 -5.426 16.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.589 -4.138 16.828 1.00 0.00 H new ATOM 393 N PHE A 25 1.825 -4.104 9.848 1.00 0.00 N ATOM 394 CA PHE A 25 2.484 -4.361 8.529 1.00 0.00 C ATOM 395 C PHE A 25 3.826 -3.626 8.432 1.00 0.00 C ATOM 396 O PHE A 25 3.934 -2.464 8.775 1.00 0.00 O ATOM 397 CB PHE A 25 1.511 -3.822 7.478 1.00 0.00 C ATOM 398 CG PHE A 25 1.798 -4.485 6.155 1.00 0.00 C ATOM 399 CD1 PHE A 25 1.486 -5.834 5.970 1.00 0.00 C ATOM 400 CD2 PHE A 25 2.380 -3.752 5.115 1.00 0.00 C ATOM 401 CE1 PHE A 25 1.755 -6.453 4.747 1.00 0.00 C ATOM 402 CE2 PHE A 25 2.652 -4.370 3.890 1.00 0.00 C ATOM 403 CZ PHE A 25 2.339 -5.721 3.705 1.00 0.00 C ATOM 0 H PHE A 25 0.894 -3.690 9.792 1.00 0.00 H new ATOM 0 HA PHE A 25 2.696 -5.421 8.390 1.00 0.00 H new ATOM 0 HB2 PHE A 25 0.483 -4.018 7.782 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.616 -2.741 7.388 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.036 -6.399 6.773 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.619 -2.709 5.258 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.513 -7.496 4.605 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.103 -3.805 3.088 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.547 -6.199 2.759 1.00 0.00 H new ATOM 413 N GLN A 26 4.843 -4.300 7.958 1.00 0.00 N ATOM 414 CA GLN A 26 6.182 -3.654 7.821 1.00 0.00 C ATOM 415 C GLN A 26 6.234 -2.838 6.525 1.00 0.00 C ATOM 416 O GLN A 26 6.012 -3.361 5.448 1.00 0.00 O ATOM 417 CB GLN A 26 7.184 -4.811 7.763 1.00 0.00 C ATOM 418 CG GLN A 26 7.563 -5.237 9.182 1.00 0.00 C ATOM 419 CD GLN A 26 9.013 -5.730 9.195 1.00 0.00 C ATOM 420 OE1 GLN A 26 9.366 -6.635 8.464 1.00 0.00 O ATOM 421 NE2 GLN A 26 9.873 -5.169 10.000 1.00 0.00 N ATOM 0 H GLN A 26 4.802 -5.274 7.659 1.00 0.00 H new ATOM 0 HA GLN A 26 6.399 -2.973 8.644 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.751 -5.653 7.224 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.075 -4.506 7.214 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.446 -4.399 9.869 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.896 -6.027 9.527 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.577 -4.410 10.613 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.841 -5.490 10.016 1.00 0.00 H new ATOM 430 N ILE A 27 6.523 -1.564 6.619 1.00 0.00 N ATOM 431 CA ILE A 27 6.585 -0.714 5.390 1.00 0.00 C ATOM 432 C ILE A 27 7.250 0.632 5.710 1.00 0.00 C ATOM 433 O ILE A 27 6.589 1.613 5.992 1.00 0.00 O ATOM 434 CB ILE A 27 5.122 -0.531 4.961 1.00 0.00 C ATOM 435 CG1 ILE A 27 5.062 0.338 3.700 1.00 0.00 C ATOM 436 CG2 ILE A 27 4.319 0.137 6.086 1.00 0.00 C ATOM 437 CD1 ILE A 27 3.802 -0.004 2.903 1.00 0.00 C ATOM 0 H ILE A 27 6.719 -1.076 7.493 1.00 0.00 H new ATOM 0 HA ILE A 27 7.179 -1.166 4.596 1.00 0.00 H new ATOM 0 HB ILE A 27 4.689 -1.509 4.751 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.057 1.393 3.973 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.948 0.171 3.088 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.283 0.261 5.770 1.00 0.00 H new ATOM 0 HG22 ILE A 27 4.353 -0.488 6.978 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.749 1.113 6.310 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.760 0.614 2.006 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.826 -1.056 2.618 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.921 0.185 3.516 1.00 0.00 H new ATOM 449 N LYS A 28 8.558 0.681 5.667 1.00 0.00 N ATOM 450 CA LYS A 28 9.273 1.957 5.969 1.00 0.00 C ATOM 451 C LYS A 28 9.596 2.704 4.673 1.00 0.00 C ATOM 452 O LYS A 28 9.306 2.239 3.588 1.00 0.00 O ATOM 453 CB LYS A 28 10.561 1.536 6.686 1.00 0.00 C ATOM 454 CG LYS A 28 10.429 1.784 8.198 1.00 0.00 C ATOM 455 CD LYS A 28 11.516 2.757 8.663 1.00 0.00 C ATOM 456 CE LYS A 28 11.111 3.375 10.002 1.00 0.00 C ATOM 457 NZ LYS A 28 12.383 3.501 10.765 1.00 0.00 N ATOM 0 H LYS A 28 9.161 -0.108 5.436 1.00 0.00 H new ATOM 0 HA LYS A 28 8.672 2.630 6.580 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.763 0.481 6.499 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.407 2.097 6.290 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.443 2.191 8.424 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.516 0.842 8.739 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.467 2.234 8.765 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.661 3.540 7.918 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.636 4.346 9.862 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.395 2.744 10.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.189 3.918 11.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.808 2.560 10.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.042 4.113 10.243 1.00 0.00 H new ATOM 471 N GLU A 29 10.195 3.863 4.786 1.00 0.00 N ATOM 472 CA GLU A 29 10.541 4.658 3.568 1.00 0.00 C ATOM 473 C GLU A 29 11.612 3.939 2.741 1.00 0.00 C ATOM 474 O GLU A 29 12.593 3.449 3.270 1.00 0.00 O ATOM 475 CB GLU A 29 11.084 5.990 4.096 1.00 0.00 C ATOM 476 CG GLU A 29 9.975 7.044 4.079 1.00 0.00 C ATOM 477 CD GLU A 29 10.293 8.132 5.105 1.00 0.00 C ATOM 478 OE1 GLU A 29 11.133 8.968 4.813 1.00 0.00 O ATOM 479 OE2 GLU A 29 9.692 8.110 6.167 1.00 0.00 O ATOM 0 H GLU A 29 10.460 4.294 5.672 1.00 0.00 H new ATOM 0 HA GLU A 29 9.678 4.796 2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.462 5.863 5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.922 6.321 3.483 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.889 7.481 3.084 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.015 6.582 4.309 1.00 0.00 H new ATOM 486 N GLY A 30 11.432 3.885 1.446 1.00 0.00 N ATOM 487 CA GLY A 30 12.434 3.213 0.565 1.00 0.00 C ATOM 488 C GLY A 30 12.557 1.736 0.941 1.00 0.00 C ATOM 489 O GLY A 30 13.646 1.218 1.106 1.00 0.00 O ATOM 0 H GLY A 30 10.628 4.280 0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.133 3.307 -0.478 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.403 3.703 0.663 1.00 0.00 H new ATOM 493 N ASP A 31 11.449 1.053 1.072 1.00 0.00 N ATOM 494 CA ASP A 31 11.494 -0.396 1.430 1.00 0.00 C ATOM 495 C ASP A 31 11.143 -1.251 0.212 1.00 0.00 C ATOM 496 O ASP A 31 10.939 -0.741 -0.875 1.00 0.00 O ATOM 497 CB ASP A 31 10.437 -0.565 2.520 1.00 0.00 C ATOM 498 CG ASP A 31 11.102 -0.461 3.891 1.00 0.00 C ATOM 499 OD1 ASP A 31 11.472 0.638 4.266 1.00 0.00 O ATOM 500 OD2 ASP A 31 11.232 -1.484 4.542 1.00 0.00 O ATOM 0 H ASP A 31 10.513 1.438 0.946 1.00 0.00 H new ATOM 0 HA ASP A 31 12.483 -0.708 1.766 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.668 0.200 2.418 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.942 -1.531 2.416 1.00 0.00 H new ATOM 505 N LEU A 32 11.066 -2.545 0.388 1.00 0.00 N ATOM 506 CA LEU A 32 10.721 -3.439 -0.757 1.00 0.00 C ATOM 507 C LEU A 32 9.220 -3.741 -0.745 1.00 0.00 C ATOM 508 O LEU A 32 8.793 -4.795 -0.312 1.00 0.00 O ATOM 509 CB LEU A 32 11.533 -4.720 -0.534 1.00 0.00 C ATOM 510 CG LEU A 32 12.759 -4.747 -1.461 1.00 0.00 C ATOM 511 CD1 LEU A 32 12.311 -4.689 -2.926 1.00 0.00 C ATOM 512 CD2 LEU A 32 13.667 -3.552 -1.155 1.00 0.00 C ATOM 0 H LEU A 32 11.227 -3.021 1.276 1.00 0.00 H new ATOM 0 HA LEU A 32 10.951 -2.984 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.854 -4.778 0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.907 -5.592 -0.723 1.00 0.00 H new ATOM 0 HG LEU A 32 13.309 -5.672 -1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.186 -4.709 -3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.676 -5.547 -3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.751 -3.770 -3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 32 14.534 -3.576 -1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 32 13.115 -2.626 -1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.998 -3.603 -0.118 1.00 0.00 H new ATOM 524 N VAL A 33 8.421 -2.817 -1.213 1.00 0.00 N ATOM 525 CA VAL A 33 6.943 -3.035 -1.229 1.00 0.00 C ATOM 526 C VAL A 33 6.535 -3.788 -2.497 1.00 0.00 C ATOM 527 O VAL A 33 6.700 -3.304 -3.601 1.00 0.00 O ATOM 528 CB VAL A 33 6.330 -1.629 -1.210 1.00 0.00 C ATOM 529 CG1 VAL A 33 4.803 -1.731 -1.227 1.00 0.00 C ATOM 530 CG2 VAL A 33 6.774 -0.893 0.059 1.00 0.00 C ATOM 0 H VAL A 33 8.729 -1.919 -1.586 1.00 0.00 H new ATOM 0 HA VAL A 33 6.604 -3.634 -0.384 1.00 0.00 H new ATOM 0 HB VAL A 33 6.667 -1.079 -2.089 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.371 -0.730 -1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.483 -2.252 -2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.465 -2.284 -0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.338 0.106 0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.439 -1.446 0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.861 -0.815 0.073 1.00 0.00 H new ATOM 540 N LYS A 34 6.000 -4.969 -2.339 1.00 0.00 N ATOM 541 CA LYS A 34 5.567 -5.769 -3.521 1.00 0.00 C ATOM 542 C LYS A 34 4.051 -5.666 -3.690 1.00 0.00 C ATOM 543 O LYS A 34 3.313 -5.640 -2.723 1.00 0.00 O ATOM 544 CB LYS A 34 5.973 -7.207 -3.195 1.00 0.00 C ATOM 545 CG LYS A 34 7.490 -7.354 -3.327 1.00 0.00 C ATOM 546 CD LYS A 34 7.866 -8.842 -3.373 1.00 0.00 C ATOM 547 CE LYS A 34 8.964 -9.132 -2.347 1.00 0.00 C ATOM 548 NZ LYS A 34 10.223 -8.655 -2.985 1.00 0.00 N ATOM 0 H LYS A 34 5.843 -5.417 -1.436 1.00 0.00 H new ATOM 0 HA LYS A 34 6.019 -5.420 -4.449 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.659 -7.464 -2.183 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.470 -7.900 -3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.836 -6.854 -4.232 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.986 -6.870 -2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.989 -9.455 -3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.210 -9.109 -4.372 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.775 -8.611 -1.409 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.017 -10.196 -2.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.832 -9.469 -3.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.996 -8.147 -3.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.721 -8.015 -2.334 1.00 0.00 H new ATOM 562 N VAL A 35 3.583 -5.603 -4.911 1.00 0.00 N ATOM 563 CA VAL A 35 2.108 -5.502 -5.144 1.00 0.00 C ATOM 564 C VAL A 35 1.702 -6.408 -6.308 1.00 0.00 C ATOM 565 O VAL A 35 2.208 -6.271 -7.406 1.00 0.00 O ATOM 566 CB VAL A 35 1.843 -4.032 -5.500 1.00 0.00 C ATOM 567 CG1 VAL A 35 0.335 -3.802 -5.605 1.00 0.00 C ATOM 568 CG2 VAL A 35 2.418 -3.112 -4.416 1.00 0.00 C ATOM 0 H VAL A 35 4.156 -5.617 -5.755 1.00 0.00 H new ATOM 0 HA VAL A 35 1.536 -5.813 -4.270 1.00 0.00 H new ATOM 0 HB VAL A 35 2.323 -3.805 -6.452 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.143 -2.759 -5.858 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.078 -4.446 -6.382 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.136 -4.037 -4.651 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.224 -2.073 -4.680 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.946 -3.338 -3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.493 -3.271 -4.337 1.00 0.00 H new ATOM 578 N THR A 36 0.802 -7.334 -6.080 1.00 0.00 N ATOM 579 CA THR A 36 0.383 -8.250 -7.187 1.00 0.00 C ATOM 580 C THR A 36 -1.124 -8.521 -7.145 1.00 0.00 C ATOM 581 O THR A 36 -1.728 -8.590 -6.091 1.00 0.00 O ATOM 582 CB THR A 36 1.157 -9.553 -6.950 1.00 0.00 C ATOM 583 OG1 THR A 36 0.735 -10.133 -5.724 1.00 0.00 O ATOM 584 CG2 THR A 36 2.660 -9.271 -6.889 1.00 0.00 C ATOM 0 H THR A 36 0.343 -7.494 -5.183 1.00 0.00 H new ATOM 0 HA THR A 36 0.594 -7.811 -8.162 1.00 0.00 H new ATOM 0 HB THR A 36 0.959 -10.240 -7.773 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.226 -10.967 -5.570 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.199 -10.204 -6.720 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.986 -8.829 -7.831 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.868 -8.579 -6.072 1.00 0.00 H new ATOM 592 N PHE A 37 -1.724 -8.695 -8.295 1.00 0.00 N ATOM 593 CA PHE A 37 -3.187 -8.988 -8.358 1.00 0.00 C ATOM 594 C PHE A 37 -3.380 -10.474 -8.689 1.00 0.00 C ATOM 595 O PHE A 37 -2.633 -11.046 -9.461 1.00 0.00 O ATOM 596 CB PHE A 37 -3.722 -8.082 -9.483 1.00 0.00 C ATOM 597 CG PHE A 37 -5.162 -8.427 -9.821 1.00 0.00 C ATOM 598 CD1 PHE A 37 -6.104 -8.619 -8.801 1.00 0.00 C ATOM 599 CD2 PHE A 37 -5.549 -8.554 -11.161 1.00 0.00 C ATOM 600 CE1 PHE A 37 -7.430 -8.935 -9.121 1.00 0.00 C ATOM 601 CE2 PHE A 37 -6.876 -8.869 -11.482 1.00 0.00 C ATOM 602 CZ PHE A 37 -7.816 -9.061 -10.462 1.00 0.00 C ATOM 0 H PHE A 37 -1.258 -8.646 -9.201 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.712 -8.797 -7.422 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.657 -7.038 -9.176 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.100 -8.193 -10.371 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.807 -8.523 -7.767 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.824 -8.409 -11.948 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.155 -9.082 -8.334 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.174 -8.964 -12.516 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.838 -9.306 -10.709 1.00 0.00 H new ATOM 612 N ASP A 38 -4.369 -11.101 -8.104 1.00 0.00 N ATOM 613 CA ASP A 38 -4.605 -12.551 -8.377 1.00 0.00 C ATOM 614 C ASP A 38 -5.727 -12.718 -9.407 1.00 0.00 C ATOM 615 O ASP A 38 -6.676 -11.955 -9.431 1.00 0.00 O ATOM 616 CB ASP A 38 -5.014 -13.150 -7.025 1.00 0.00 C ATOM 617 CG ASP A 38 -4.090 -14.319 -6.674 1.00 0.00 C ATOM 618 OD1 ASP A 38 -2.942 -14.063 -6.347 1.00 0.00 O ATOM 619 OD2 ASP A 38 -4.545 -15.449 -6.739 1.00 0.00 O ATOM 0 H ASP A 38 -5.023 -10.672 -7.449 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.724 -13.044 -8.787 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.961 -12.387 -6.248 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.048 -13.492 -7.066 1.00 0.00 H new ATOM 624 N GLU A 39 -5.624 -13.711 -10.254 1.00 0.00 N ATOM 625 CA GLU A 39 -6.682 -13.937 -11.285 1.00 0.00 C ATOM 626 C GLU A 39 -7.645 -15.029 -10.816 1.00 0.00 C ATOM 627 O GLU A 39 -8.176 -15.783 -11.609 1.00 0.00 O ATOM 628 CB GLU A 39 -5.928 -14.387 -12.543 1.00 0.00 C ATOM 629 CG GLU A 39 -6.443 -13.610 -13.758 1.00 0.00 C ATOM 630 CD GLU A 39 -5.642 -12.317 -13.911 1.00 0.00 C ATOM 631 OE1 GLU A 39 -5.988 -11.348 -13.255 1.00 0.00 O ATOM 632 OE2 GLU A 39 -4.695 -12.316 -14.682 1.00 0.00 O ATOM 0 H GLU A 39 -4.851 -14.376 -10.276 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.277 -13.043 -11.469 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.858 -14.218 -12.418 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.066 -15.457 -12.698 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.349 -14.217 -14.658 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.502 -13.382 -13.636 1.00 0.00 H new ATOM 639 N SER A 40 -7.869 -15.118 -9.531 1.00 0.00 N ATOM 640 CA SER A 40 -8.794 -16.161 -8.995 1.00 0.00 C ATOM 641 C SER A 40 -9.654 -15.574 -7.872 1.00 0.00 C ATOM 642 O SER A 40 -10.869 -15.558 -7.953 1.00 0.00 O ATOM 643 CB SER A 40 -7.877 -17.265 -8.460 1.00 0.00 C ATOM 644 OG SER A 40 -8.243 -18.504 -9.055 1.00 0.00 O ATOM 0 H SER A 40 -7.450 -14.511 -8.827 1.00 0.00 H new ATOM 0 HA SER A 40 -9.481 -16.539 -9.752 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.837 -17.032 -8.687 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.960 -17.330 -7.375 1.00 0.00 H new ATOM 0 HG SER A 40 -7.658 -19.214 -8.718 1.00 0.00 H new ATOM 650 N GLU A 41 -9.029 -15.091 -6.828 1.00 0.00 N ATOM 651 CA GLU A 41 -9.801 -14.500 -5.695 1.00 0.00 C ATOM 652 C GLU A 41 -10.229 -13.070 -6.037 1.00 0.00 C ATOM 653 O GLU A 41 -11.253 -12.595 -5.581 1.00 0.00 O ATOM 654 CB GLU A 41 -8.836 -14.506 -4.507 1.00 0.00 C ATOM 655 CG GLU A 41 -9.041 -15.785 -3.693 1.00 0.00 C ATOM 656 CD GLU A 41 -8.456 -15.606 -2.289 1.00 0.00 C ATOM 657 OE1 GLU A 41 -8.484 -14.491 -1.794 1.00 0.00 O ATOM 658 OE2 GLU A 41 -7.995 -16.588 -1.732 1.00 0.00 O ATOM 0 H GLU A 41 -8.016 -15.081 -6.712 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.711 -15.060 -5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.806 -14.448 -4.860 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.008 -13.631 -3.880 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.104 -16.019 -3.627 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.560 -16.626 -4.193 1.00 0.00 H new ATOM 665 N GLY A 42 -9.452 -12.385 -6.837 1.00 0.00 N ATOM 666 CA GLY A 42 -9.805 -10.985 -7.216 1.00 0.00 C ATOM 667 C GLY A 42 -9.328 -10.025 -6.127 1.00 0.00 C ATOM 668 O GLY A 42 -10.034 -9.113 -5.740 1.00 0.00 O ATOM 0 H GLY A 42 -8.586 -12.737 -7.245 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.344 -10.728 -8.169 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.883 -10.894 -7.349 1.00 0.00 H new ATOM 672 N VAL A 43 -8.137 -10.230 -5.629 1.00 0.00 N ATOM 673 CA VAL A 43 -7.602 -9.337 -4.559 1.00 0.00 C ATOM 674 C VAL A 43 -6.130 -9.008 -4.827 1.00 0.00 C ATOM 675 O VAL A 43 -5.435 -9.754 -5.490 1.00 0.00 O ATOM 676 CB VAL A 43 -7.747 -10.144 -3.262 1.00 0.00 C ATOM 677 CG1 VAL A 43 -9.227 -10.456 -3.014 1.00 0.00 C ATOM 678 CG2 VAL A 43 -6.953 -11.460 -3.362 1.00 0.00 C ATOM 0 H VAL A 43 -7.509 -10.980 -5.918 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.133 -8.386 -4.510 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.353 -9.555 -2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.329 -11.029 -2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.785 -9.524 -2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.621 -11.037 -3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.064 -12.023 -2.435 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.333 -12.052 -4.194 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.899 -11.237 -3.527 1.00 0.00 H new ATOM 688 N VAL A 44 -5.646 -7.911 -4.297 1.00 0.00 N ATOM 689 CA VAL A 44 -4.211 -7.556 -4.501 1.00 0.00 C ATOM 690 C VAL A 44 -3.463 -7.784 -3.187 1.00 0.00 C ATOM 691 O VAL A 44 -3.813 -7.230 -2.160 1.00 0.00 O ATOM 692 CB VAL A 44 -4.190 -6.075 -4.901 1.00 0.00 C ATOM 693 CG1 VAL A 44 -2.746 -5.630 -5.145 1.00 0.00 C ATOM 694 CG2 VAL A 44 -5.004 -5.872 -6.185 1.00 0.00 C ATOM 0 H VAL A 44 -6.182 -7.250 -3.735 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.731 -8.161 -5.270 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.626 -5.482 -4.097 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.733 -4.578 -5.429 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.164 -5.767 -4.234 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.312 -6.228 -5.946 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.986 -4.819 -6.465 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.571 -6.468 -6.988 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.034 -6.185 -6.016 1.00 0.00 H new ATOM 704 N LYS A 45 -2.457 -8.619 -3.210 1.00 0.00 N ATOM 705 CA LYS A 45 -1.691 -8.919 -1.964 1.00 0.00 C ATOM 706 C LYS A 45 -0.348 -8.187 -1.966 1.00 0.00 C ATOM 707 O LYS A 45 0.347 -8.145 -2.965 1.00 0.00 O ATOM 708 CB LYS A 45 -1.472 -10.432 -2.002 1.00 0.00 C ATOM 709 CG LYS A 45 -1.078 -10.934 -0.610 1.00 0.00 C ATOM 710 CD LYS A 45 -1.152 -12.466 -0.574 1.00 0.00 C ATOM 711 CE LYS A 45 0.259 -13.062 -0.667 1.00 0.00 C ATOM 712 NZ LYS A 45 0.176 -14.087 -1.745 1.00 0.00 N ATOM 0 H LYS A 45 -2.131 -9.109 -4.043 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.220 -8.596 -1.068 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.381 -10.932 -2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.691 -10.678 -2.722 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.069 -10.603 -0.365 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.743 -10.510 0.142 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.634 -12.793 0.347 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.764 -12.828 -1.400 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.996 -12.296 -0.907 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.562 -13.509 0.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.105 -14.539 -1.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.528 -14.807 -1.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.107 -13.632 -2.636 1.00 0.00 H new ATOM 726 N ILE A 46 0.019 -7.616 -0.848 1.00 0.00 N ATOM 727 CA ILE A 46 1.320 -6.888 -0.764 1.00 0.00 C ATOM 728 C ILE A 46 2.133 -7.406 0.429 1.00 0.00 C ATOM 729 O ILE A 46 1.579 -7.828 1.428 1.00 0.00 O ATOM 730 CB ILE A 46 0.950 -5.412 -0.575 1.00 0.00 C ATOM 731 CG1 ILE A 46 0.128 -5.241 0.703 1.00 0.00 C ATOM 732 CG2 ILE A 46 0.123 -4.930 -1.770 1.00 0.00 C ATOM 733 CD1 ILE A 46 0.014 -3.755 1.045 1.00 0.00 C ATOM 0 H ILE A 46 -0.528 -7.623 0.013 1.00 0.00 H new ATOM 0 HA ILE A 46 1.933 -7.033 -1.653 1.00 0.00 H new ATOM 0 HB ILE A 46 1.866 -4.825 -0.501 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.865 -5.671 0.569 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.600 -5.779 1.525 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.138 -3.881 -1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.706 -5.042 -2.684 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.788 -5.524 -1.845 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.572 -3.635 1.956 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.010 -3.339 1.197 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.477 -3.230 0.226 1.00 0.00 H new ATOM 745 N GLN A 47 3.435 -7.378 0.328 1.00 0.00 N ATOM 746 CA GLN A 47 4.286 -7.872 1.457 1.00 0.00 C ATOM 747 C GLN A 47 5.640 -7.152 1.464 1.00 0.00 C ATOM 748 O GLN A 47 5.940 -6.370 0.582 1.00 0.00 O ATOM 749 CB GLN A 47 4.466 -9.373 1.191 1.00 0.00 C ATOM 750 CG GLN A 47 5.124 -9.588 -0.178 1.00 0.00 C ATOM 751 CD GLN A 47 5.211 -11.086 -0.480 1.00 0.00 C ATOM 752 OE1 GLN A 47 4.775 -11.533 -1.522 1.00 0.00 O ATOM 753 NE2 GLN A 47 5.763 -11.887 0.391 1.00 0.00 N ATOM 0 H GLN A 47 3.948 -7.036 -0.484 1.00 0.00 H new ATOM 0 HA GLN A 47 3.831 -7.684 2.429 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.081 -9.818 1.973 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.499 -9.875 1.222 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.546 -9.084 -0.953 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.121 -9.147 -0.186 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.130 -11.514 1.267 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.828 -12.886 0.196 1.00 0.00 H new ATOM 762 N LEU A 48 6.454 -7.411 2.457 1.00 0.00 N ATOM 763 CA LEU A 48 7.789 -6.743 2.532 1.00 0.00 C ATOM 764 C LEU A 48 8.871 -7.740 2.967 1.00 0.00 C ATOM 765 O LEU A 48 9.905 -7.355 3.479 1.00 0.00 O ATOM 766 CB LEU A 48 7.621 -5.652 3.589 1.00 0.00 C ATOM 767 CG LEU A 48 8.429 -4.415 3.185 1.00 0.00 C ATOM 768 CD1 LEU A 48 7.519 -3.432 2.446 1.00 0.00 C ATOM 769 CD2 LEU A 48 8.992 -3.741 4.438 1.00 0.00 C ATOM 0 H LEU A 48 6.251 -8.057 3.220 1.00 0.00 H new ATOM 0 HA LEU A 48 8.100 -6.343 1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.568 -5.392 3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.957 -6.017 4.559 1.00 0.00 H new ATOM 0 HG LEU A 48 9.249 -4.715 2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.093 -2.551 2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.116 -3.910 1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.699 -3.133 3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.567 -2.861 4.150 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.171 -3.441 5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.639 -4.440 4.968 1.00 0.00 H new ATOM 781 N LEU A 49 8.643 -9.019 2.768 1.00 0.00 N ATOM 782 CA LEU A 49 9.659 -10.050 3.167 1.00 0.00 C ATOM 783 C LEU A 49 10.089 -9.857 4.628 1.00 0.00 C ATOM 784 O LEU A 49 9.562 -9.016 5.333 1.00 0.00 O ATOM 785 CB LEU A 49 10.849 -9.835 2.226 1.00 0.00 C ATOM 786 CG LEU A 49 10.824 -10.887 1.114 1.00 0.00 C ATOM 787 CD1 LEU A 49 11.351 -10.275 -0.185 1.00 0.00 C ATOM 788 CD2 LEU A 49 11.705 -12.072 1.517 1.00 0.00 C ATOM 0 H LEU A 49 7.794 -9.395 2.345 1.00 0.00 H new ATOM 0 HA LEU A 49 9.256 -11.060 3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 49 10.808 -8.835 1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 49 11.783 -9.903 2.784 1.00 0.00 H new ATOM 0 HG LEU A 49 9.801 -11.229 0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 49 11.332 -11.026 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 49 10.723 -9.432 -0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 49 12.374 -9.931 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.689 -12.823 0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.728 -11.729 1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 49 11.326 -12.509 2.441 1.00 0.00 H new ATOM 800 N LYS A 50 11.045 -10.629 5.079 1.00 0.00 N ATOM 801 CA LYS A 50 11.520 -10.499 6.489 1.00 0.00 C ATOM 802 C LYS A 50 13.049 -10.606 6.542 1.00 0.00 C ATOM 803 O LYS A 50 13.674 -11.111 5.629 1.00 0.00 O ATOM 804 CB LYS A 50 10.870 -11.667 7.233 1.00 0.00 C ATOM 805 CG LYS A 50 10.589 -11.261 8.685 1.00 0.00 C ATOM 806 CD LYS A 50 9.231 -11.820 9.127 1.00 0.00 C ATOM 807 CE LYS A 50 8.171 -10.717 9.051 1.00 0.00 C ATOM 808 NZ LYS A 50 7.024 -11.230 9.854 1.00 0.00 N ATOM 0 H LYS A 50 11.518 -11.346 4.529 1.00 0.00 H new ATOM 0 HA LYS A 50 11.255 -9.538 6.931 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.942 -11.954 6.739 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.526 -12.537 7.209 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.377 -11.638 9.337 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.592 -10.175 8.776 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.946 -12.657 8.489 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.298 -12.204 10.145 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.548 -9.778 9.456 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.876 -10.523 8.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.256 -10.529 9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.682 -12.121 9.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.333 -11.399 10.833 1.00 0.00 H new ATOM 822 N GLU A 51 13.648 -10.131 7.603 1.00 0.00 N ATOM 823 CA GLU A 51 15.136 -10.198 7.723 1.00 0.00 C ATOM 824 C GLU A 51 15.530 -10.639 9.142 1.00 0.00 C ATOM 825 O GLU A 51 14.733 -10.534 10.054 1.00 0.00 O ATOM 826 CB GLU A 51 15.620 -8.772 7.449 1.00 0.00 C ATOM 827 CG GLU A 51 15.481 -8.457 5.955 1.00 0.00 C ATOM 828 CD GLU A 51 16.401 -9.370 5.134 1.00 0.00 C ATOM 829 OE1 GLU A 51 17.353 -9.890 5.694 1.00 0.00 O ATOM 830 OE2 GLU A 51 16.136 -9.531 3.954 1.00 0.00 O ATOM 0 H GLU A 51 13.170 -9.699 8.394 1.00 0.00 H new ATOM 0 HA GLU A 51 15.577 -10.916 7.032 1.00 0.00 H new ATOM 0 HB2 GLU A 51 15.038 -8.061 8.036 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.660 -8.665 7.758 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.446 -8.594 5.642 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.734 -7.413 5.771 1.00 0.00 H new ATOM 837 N PRO A 52 16.748 -11.120 9.297 1.00 0.00 N ATOM 838 CA PRO A 52 17.210 -11.569 10.627 1.00 0.00 C ATOM 839 C PRO A 52 17.657 -10.365 11.462 1.00 0.00 C ATOM 840 O PRO A 52 18.827 -10.198 11.756 1.00 0.00 O ATOM 841 CB PRO A 52 18.390 -12.499 10.324 1.00 0.00 C ATOM 842 CG PRO A 52 18.679 -12.371 8.852 1.00 0.00 C ATOM 843 CD PRO A 52 17.790 -11.295 8.283 1.00 0.00 C ATOM 0 HA PRO A 52 16.431 -12.071 11.201 1.00 0.00 H new ATOM 0 HB2 PRO A 52 19.263 -12.221 10.915 1.00 0.00 H new ATOM 0 HB3 PRO A 52 18.146 -13.530 10.582 1.00 0.00 H new ATOM 0 HG2 PRO A 52 19.728 -12.120 8.692 1.00 0.00 H new ATOM 0 HG3 PRO A 52 18.497 -13.319 8.346 1.00 0.00 H new ATOM 0 HD2 PRO A 52 18.341 -10.370 8.114 1.00 0.00 H new ATOM 0 HD3 PRO A 52 17.367 -11.593 7.324 1.00 0.00 H new ATOM 851 N TRP A 53 16.731 -9.523 11.841 1.00 0.00 N ATOM 852 CA TRP A 53 17.086 -8.321 12.654 1.00 0.00 C ATOM 853 C TRP A 53 17.079 -8.669 14.147 1.00 0.00 C ATOM 854 O TRP A 53 16.090 -8.484 14.831 1.00 0.00 O ATOM 855 CB TRP A 53 15.998 -7.297 12.334 1.00 0.00 C ATOM 856 CG TRP A 53 16.395 -6.501 11.132 1.00 0.00 C ATOM 857 CD1 TRP A 53 16.665 -7.018 9.911 1.00 0.00 C ATOM 858 CD2 TRP A 53 16.565 -5.059 11.012 1.00 0.00 C ATOM 859 NE1 TRP A 53 16.992 -5.985 9.050 1.00 0.00 N ATOM 860 CE2 TRP A 53 16.945 -4.759 9.683 1.00 0.00 C ATOM 861 CE3 TRP A 53 16.429 -3.993 11.919 1.00 0.00 C ATOM 862 CZ2 TRP A 53 17.181 -3.447 9.268 1.00 0.00 C ATOM 863 CZ3 TRP A 53 16.666 -2.672 11.505 1.00 0.00 C ATOM 864 CH2 TRP A 53 17.042 -2.400 10.183 1.00 0.00 C ATOM 0 H TRP A 53 15.739 -9.617 11.621 1.00 0.00 H new ATOM 0 HA TRP A 53 18.082 -7.944 12.424 1.00 0.00 H new ATOM 0 HB2 TRP A 53 15.051 -7.804 12.150 1.00 0.00 H new ATOM 0 HB3 TRP A 53 15.845 -6.635 13.187 1.00 0.00 H new ATOM 0 HD1 TRP A 53 16.631 -8.066 9.651 1.00 0.00 H new ATOM 0 HE1 TRP A 53 17.238 -6.114 8.068 1.00 0.00 H new ATOM 0 HE3 TRP A 53 16.140 -4.191 12.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 17.469 -3.243 8.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 16.558 -1.861 12.210 1.00 0.00 H new ATOM 0 HH2 TRP A 53 17.224 -1.382 9.871 1.00 0.00 H new ATOM 875 N LYS A 54 18.178 -9.170 14.652 1.00 0.00 N ATOM 876 CA LYS A 54 18.249 -9.533 16.102 1.00 0.00 C ATOM 877 C LYS A 54 18.055 -8.282 16.969 1.00 0.00 C ATOM 878 O LYS A 54 16.916 -7.957 17.257 1.00 0.00 O ATOM 879 CB LYS A 54 19.651 -10.119 16.299 1.00 0.00 C ATOM 880 CG LYS A 54 19.636 -11.125 17.452 1.00 0.00 C ATOM 881 CD LYS A 54 21.001 -11.126 18.145 1.00 0.00 C ATOM 882 CE LYS A 54 21.195 -12.447 18.897 1.00 0.00 C ATOM 883 NZ LYS A 54 22.606 -12.843 18.626 1.00 0.00 N ATOM 884 OXT LYS A 54 19.050 -7.670 17.327 1.00 0.00 O ATOM 0 H LYS A 54 19.032 -9.344 14.122 1.00 0.00 H new ATOM 0 HA LYS A 54 17.472 -10.241 16.391 1.00 0.00 H new ATOM 0 HB2 LYS A 54 19.983 -10.607 15.383 1.00 0.00 H new ATOM 0 HB3 LYS A 54 20.362 -9.321 16.510 1.00 0.00 H new ATOM 0 HG2 LYS A 54 18.854 -10.865 18.165 1.00 0.00 H new ATOM 0 HG3 LYS A 54 19.406 -12.122 17.076 1.00 0.00 H new ATOM 0 HD2 LYS A 54 21.794 -10.995 17.409 1.00 0.00 H new ATOM 0 HD3 LYS A 54 21.069 -10.288 18.839 1.00 0.00 H new ATOM 0 HE2 LYS A 54 21.019 -12.322 19.965 1.00 0.00 H new ATOM 0 HE3 LYS A 54 20.497 -13.207 18.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 22.814 -13.740 19.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 22.743 -12.961 17.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 23.248 -12.104 18.978 1.00 0.00 H new TER 898 LYS A 54 ATOM 899 N ALA B 2 -2.296 -13.786 -13.186 1.00 0.00 N ATOM 900 CA ALA B 2 -1.123 -13.579 -12.288 1.00 0.00 C ATOM 901 C ALA B 2 -0.333 -12.342 -12.724 1.00 0.00 C ATOM 902 O ALA B 2 0.339 -12.351 -13.737 1.00 0.00 O ATOM 903 CB ALA B 2 -0.278 -14.843 -12.449 1.00 0.00 C ATOM 0 HA ALA B 2 -1.418 -13.414 -11.252 1.00 0.00 H new ATOM 0 HB1 ALA B 2 0.608 -14.771 -11.819 1.00 0.00 H new ATOM 0 HB2 ALA B 2 -0.864 -15.713 -12.153 1.00 0.00 H new ATOM 0 HB3 ALA B 2 0.025 -14.948 -13.491 1.00 0.00 H new ATOM 911 N VAL B 3 -0.410 -11.279 -11.962 1.00 0.00 N ATOM 912 CA VAL B 3 0.337 -10.035 -12.326 1.00 0.00 C ATOM 913 C VAL B 3 1.277 -9.635 -11.185 1.00 0.00 C ATOM 914 O VAL B 3 0.898 -9.645 -10.028 1.00 0.00 O ATOM 915 CB VAL B 3 -0.740 -8.963 -12.532 1.00 0.00 C ATOM 916 CG1 VAL B 3 -0.083 -7.630 -12.928 1.00 0.00 C ATOM 917 CG2 VAL B 3 -1.703 -9.406 -13.639 1.00 0.00 C ATOM 0 H VAL B 3 -0.958 -11.219 -11.104 1.00 0.00 H new ATOM 0 HA VAL B 3 0.950 -10.169 -13.217 1.00 0.00 H new ATOM 0 HB VAL B 3 -1.292 -8.829 -11.601 1.00 0.00 H new ATOM 0 HG11 VAL B 3 -0.854 -6.873 -13.073 1.00 0.00 H new ATOM 0 HG12 VAL B 3 0.596 -7.310 -12.138 1.00 0.00 H new ATOM 0 HG13 VAL B 3 0.475 -7.761 -13.855 1.00 0.00 H new ATOM 0 HG21 VAL B 3 -2.467 -8.642 -13.783 1.00 0.00 H new ATOM 0 HG22 VAL B 3 -1.150 -9.546 -14.568 1.00 0.00 H new ATOM 0 HG23 VAL B 3 -2.177 -10.345 -13.354 1.00 0.00 H new ATOM 927 N GLU B 4 2.498 -9.286 -11.503 1.00 0.00 N ATOM 928 CA GLU B 4 3.465 -8.885 -10.439 1.00 0.00 C ATOM 929 C GLU B 4 4.001 -7.474 -10.700 1.00 0.00 C ATOM 930 O GLU B 4 4.056 -7.018 -11.826 1.00 0.00 O ATOM 931 CB GLU B 4 4.599 -9.914 -10.515 1.00 0.00 C ATOM 932 CG GLU B 4 5.330 -9.987 -9.165 1.00 0.00 C ATOM 933 CD GLU B 4 6.751 -9.433 -9.309 1.00 0.00 C ATOM 934 OE1 GLU B 4 6.898 -8.221 -9.293 1.00 0.00 O ATOM 935 OE2 GLU B 4 7.667 -10.229 -9.427 1.00 0.00 O ATOM 0 H GLU B 4 2.866 -9.262 -12.454 1.00 0.00 H new ATOM 0 HA GLU B 4 2.999 -8.865 -9.454 1.00 0.00 H new ATOM 0 HB2 GLU B 4 4.196 -10.893 -10.774 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.300 -9.639 -11.303 1.00 0.00 H new ATOM 0 HG2 GLU B 4 4.783 -9.417 -8.414 1.00 0.00 H new ATOM 0 HG3 GLU B 4 5.367 -11.019 -8.817 1.00 0.00 H new ATOM 942 N GLU B 5 4.402 -6.788 -9.659 1.00 0.00 N ATOM 943 CA GLU B 5 4.945 -5.406 -9.825 1.00 0.00 C ATOM 944 C GLU B 5 5.896 -5.079 -8.669 1.00 0.00 C ATOM 945 O GLU B 5 5.888 -5.739 -7.647 1.00 0.00 O ATOM 946 CB GLU B 5 3.721 -4.488 -9.801 1.00 0.00 C ATOM 947 CG GLU B 5 4.020 -3.205 -10.594 1.00 0.00 C ATOM 948 CD GLU B 5 2.936 -2.981 -11.652 1.00 0.00 C ATOM 949 OE1 GLU B 5 1.778 -2.906 -11.278 1.00 0.00 O ATOM 950 OE2 GLU B 5 3.284 -2.889 -12.818 1.00 0.00 O ATOM 0 H GLU B 5 4.376 -7.128 -8.698 1.00 0.00 H new ATOM 0 HA GLU B 5 5.513 -5.289 -10.748 1.00 0.00 H new ATOM 0 HB2 GLU B 5 2.861 -5.001 -10.232 1.00 0.00 H new ATOM 0 HB3 GLU B 5 3.461 -4.239 -8.772 1.00 0.00 H new ATOM 0 HG2 GLU B 5 4.062 -2.351 -9.918 1.00 0.00 H new ATOM 0 HG3 GLU B 5 4.997 -3.282 -11.072 1.00 0.00 H new ATOM 957 N ILE B 6 6.720 -4.074 -8.829 1.00 0.00 N ATOM 958 CA ILE B 6 7.684 -3.711 -7.745 1.00 0.00 C ATOM 959 C ILE B 6 7.702 -2.193 -7.518 1.00 0.00 C ATOM 960 O ILE B 6 7.388 -1.419 -8.401 1.00 0.00 O ATOM 961 CB ILE B 6 9.045 -4.212 -8.249 1.00 0.00 C ATOM 962 CG1 ILE B 6 10.131 -3.893 -7.216 1.00 0.00 C ATOM 963 CG2 ILE B 6 9.394 -3.532 -9.577 1.00 0.00 C ATOM 964 CD1 ILE B 6 11.442 -4.561 -7.633 1.00 0.00 C ATOM 0 H ILE B 6 6.767 -3.489 -9.663 1.00 0.00 H new ATOM 0 HA ILE B 6 7.416 -4.156 -6.787 1.00 0.00 H new ATOM 0 HB ILE B 6 8.990 -5.290 -8.399 1.00 0.00 H new ATOM 0 HG12 ILE B 6 10.268 -2.815 -7.138 1.00 0.00 H new ATOM 0 HG13 ILE B 6 9.827 -4.248 -6.231 1.00 0.00 H new ATOM 0 HG21 ILE B 6 10.361 -3.893 -9.928 1.00 0.00 H new ATOM 0 HG22 ILE B 6 8.629 -3.766 -10.318 1.00 0.00 H new ATOM 0 HG23 ILE B 6 9.441 -2.453 -9.432 1.00 0.00 H new ATOM 0 HD11 ILE B 6 12.215 -4.335 -6.899 1.00 0.00 H new ATOM 0 HD12 ILE B 6 11.299 -5.640 -7.688 1.00 0.00 H new ATOM 0 HD13 ILE B 6 11.748 -4.185 -8.609 1.00 0.00 H new ATOM 976 N VAL B 7 8.071 -1.773 -6.335 1.00 0.00 N ATOM 977 CA VAL B 7 8.118 -0.310 -6.027 1.00 0.00 C ATOM 978 C VAL B 7 8.805 -0.083 -4.672 1.00 0.00 C ATOM 979 O VAL B 7 8.883 -0.977 -3.851 1.00 0.00 O ATOM 980 CB VAL B 7 6.650 0.140 -5.982 1.00 0.00 C ATOM 981 CG1 VAL B 7 5.888 -0.649 -4.907 1.00 0.00 C ATOM 982 CG2 VAL B 7 6.583 1.640 -5.667 1.00 0.00 C ATOM 0 H VAL B 7 8.343 -2.383 -5.564 1.00 0.00 H new ATOM 0 HA VAL B 7 8.685 0.254 -6.768 1.00 0.00 H new ATOM 0 HB VAL B 7 6.190 -0.049 -6.952 1.00 0.00 H new ATOM 0 HG11 VAL B 7 4.849 -0.322 -4.884 1.00 0.00 H new ATOM 0 HG12 VAL B 7 5.928 -1.713 -5.140 1.00 0.00 H new ATOM 0 HG13 VAL B 7 6.346 -0.473 -3.934 1.00 0.00 H new ATOM 0 HG21 VAL B 7 5.541 1.959 -5.635 1.00 0.00 H new ATOM 0 HG22 VAL B 7 7.050 1.830 -4.701 1.00 0.00 H new ATOM 0 HG23 VAL B 7 7.110 2.198 -6.441 1.00 0.00 H new ATOM 992 N LYS B 8 9.299 1.108 -4.437 1.00 0.00 N ATOM 993 CA LYS B 8 9.979 1.398 -3.138 1.00 0.00 C ATOM 994 C LYS B 8 9.062 2.233 -2.232 1.00 0.00 C ATOM 995 O LYS B 8 7.854 2.217 -2.378 1.00 0.00 O ATOM 996 CB LYS B 8 11.257 2.173 -3.509 1.00 0.00 C ATOM 997 CG LYS B 8 10.912 3.550 -4.100 1.00 0.00 C ATOM 998 CD LYS B 8 11.885 3.887 -5.242 1.00 0.00 C ATOM 999 CE LYS B 8 12.590 5.216 -4.949 1.00 0.00 C ATOM 1000 NZ LYS B 8 11.602 6.266 -5.325 1.00 0.00 N ATOM 0 H LYS B 8 9.260 1.891 -5.089 1.00 0.00 H new ATOM 0 HA LYS B 8 10.216 0.490 -2.584 1.00 0.00 H new ATOM 0 HB2 LYS B 8 11.881 2.299 -2.624 1.00 0.00 H new ATOM 0 HB3 LYS B 8 11.839 1.599 -4.230 1.00 0.00 H new ATOM 0 HG2 LYS B 8 9.887 3.550 -4.472 1.00 0.00 H new ATOM 0 HG3 LYS B 8 10.970 4.313 -3.324 1.00 0.00 H new ATOM 0 HD2 LYS B 8 12.621 3.091 -5.351 1.00 0.00 H new ATOM 0 HD3 LYS B 8 11.344 3.952 -6.186 1.00 0.00 H new ATOM 0 HE2 LYS B 8 12.867 5.293 -3.898 1.00 0.00 H new ATOM 0 HE3 LYS B 8 13.508 5.312 -5.528 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 12.024 7.206 -5.185 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 11.337 6.151 -6.324 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 10.755 6.175 -4.729 1.00 0.00 H new ATOM 1014 N VAL B 9 9.630 2.960 -1.304 1.00 0.00 N ATOM 1015 CA VAL B 9 8.799 3.799 -0.388 1.00 0.00 C ATOM 1016 C VAL B 9 9.528 5.109 -0.081 1.00 0.00 C ATOM 1017 O VAL B 9 10.666 5.107 0.351 1.00 0.00 O ATOM 1018 CB VAL B 9 8.630 2.971 0.891 1.00 0.00 C ATOM 1019 CG1 VAL B 9 7.733 3.729 1.874 1.00 0.00 C ATOM 1020 CG2 VAL B 9 7.983 1.624 0.555 1.00 0.00 C ATOM 0 H VAL B 9 10.636 3.009 -1.141 1.00 0.00 H new ATOM 0 HA VAL B 9 7.836 4.055 -0.829 1.00 0.00 H new ATOM 0 HB VAL B 9 9.609 2.801 1.340 1.00 0.00 H new ATOM 0 HG11 VAL B 9 7.612 3.141 2.784 1.00 0.00 H new ATOM 0 HG12 VAL B 9 8.191 4.687 2.119 1.00 0.00 H new ATOM 0 HG13 VAL B 9 6.757 3.899 1.419 1.00 0.00 H new ATOM 0 HG21 VAL B 9 7.865 1.039 1.467 1.00 0.00 H new ATOM 0 HG22 VAL B 9 7.005 1.793 0.103 1.00 0.00 H new ATOM 0 HG23 VAL B 9 8.617 1.080 -0.145 1.00 0.00 H new ATOM 1030 N SER B 10 8.880 6.224 -0.301 1.00 0.00 N ATOM 1031 CA SER B 10 9.531 7.538 -0.024 1.00 0.00 C ATOM 1032 C SER B 10 8.482 8.580 0.375 1.00 0.00 C ATOM 1033 O SER B 10 7.334 8.262 0.619 1.00 0.00 O ATOM 1034 CB SER B 10 10.211 7.931 -1.340 1.00 0.00 C ATOM 1035 OG SER B 10 11.556 8.313 -1.078 1.00 0.00 O ATOM 0 H SER B 10 7.927 6.280 -0.661 1.00 0.00 H new ATOM 0 HA SER B 10 10.243 7.479 0.799 1.00 0.00 H new ATOM 0 HB2 SER B 10 10.188 7.095 -2.039 1.00 0.00 H new ATOM 0 HB3 SER B 10 9.672 8.754 -1.810 1.00 0.00 H new ATOM 0 HG SER B 10 11.994 8.563 -1.918 1.00 0.00 H new ATOM 1041 N ARG B 11 8.877 9.826 0.435 1.00 0.00 N ATOM 1042 CA ARG B 11 7.931 10.926 0.810 1.00 0.00 C ATOM 1043 C ARG B 11 7.287 10.666 2.185 1.00 0.00 C ATOM 1044 O ARG B 11 7.768 11.155 3.190 1.00 0.00 O ATOM 1045 CB ARG B 11 6.881 10.972 -0.309 1.00 0.00 C ATOM 1046 CG ARG B 11 5.875 12.092 -0.022 1.00 0.00 C ATOM 1047 CD ARG B 11 4.764 12.065 -1.072 1.00 0.00 C ATOM 1048 NE ARG B 11 4.083 13.391 -0.950 1.00 0.00 N ATOM 1049 CZ ARG B 11 3.127 13.601 -0.065 1.00 0.00 C ATOM 1050 NH1 ARG B 11 2.741 12.667 0.775 1.00 0.00 N ATOM 1051 NH2 ARG B 11 2.557 14.775 -0.016 1.00 0.00 N ATOM 0 H ARG B 11 9.829 10.134 0.237 1.00 0.00 H new ATOM 0 HA ARG B 11 8.446 11.882 0.905 1.00 0.00 H new ATOM 0 HB2 ARG B 11 7.366 11.142 -1.270 1.00 0.00 H new ATOM 0 HB3 ARG B 11 6.365 10.014 -0.377 1.00 0.00 H new ATOM 0 HG2 ARG B 11 5.451 11.967 0.974 1.00 0.00 H new ATOM 0 HG3 ARG B 11 6.378 13.059 -0.035 1.00 0.00 H new ATOM 0 HD2 ARG B 11 5.171 11.921 -2.073 1.00 0.00 H new ATOM 0 HD3 ARG B 11 4.068 11.246 -0.889 1.00 0.00 H new ATOM 0 HE ARG B 11 4.365 14.153 -1.567 1.00 0.00 H new ATOM 0 HH11 ARG B 11 3.184 11.748 0.755 1.00 0.00 H new ATOM 0 HH12 ARG B 11 1.999 12.861 1.447 1.00 0.00 H new ATOM 0 HH21 ARG B 11 2.852 15.512 -0.656 1.00 0.00 H new ATOM 0 HH22 ARG B 11 1.816 14.954 0.662 1.00 0.00 H new ATOM 1065 N ASN B 12 6.206 9.921 2.243 1.00 0.00 N ATOM 1066 CA ASN B 12 5.546 9.663 3.559 1.00 0.00 C ATOM 1067 C ASN B 12 4.803 8.322 3.543 1.00 0.00 C ATOM 1068 O ASN B 12 3.613 8.258 3.785 1.00 0.00 O ATOM 1069 CB ASN B 12 4.561 10.821 3.731 1.00 0.00 C ATOM 1070 CG ASN B 12 5.301 12.042 4.278 1.00 0.00 C ATOM 1071 OD1 ASN B 12 6.118 11.923 5.170 1.00 0.00 O ATOM 1072 ND2 ASN B 12 5.051 13.221 3.778 1.00 0.00 N ATOM 0 H ASN B 12 5.756 9.484 1.439 1.00 0.00 H new ATOM 0 HA ASN B 12 6.266 9.606 4.375 1.00 0.00 H new ATOM 0 HB2 ASN B 12 4.096 11.062 2.775 1.00 0.00 H new ATOM 0 HB3 ASN B 12 3.760 10.533 4.411 1.00 0.00 H new ATOM 0 HD21 ASN B 12 5.541 14.041 4.136 1.00 0.00 H new ATOM 0 HD22 ASN B 12 4.366 13.323 3.029 1.00 0.00 H new ATOM 1079 N TYR B 13 5.503 7.249 3.268 1.00 0.00 N ATOM 1080 CA TYR B 13 4.856 5.893 3.242 1.00 0.00 C ATOM 1081 C TYR B 13 3.593 5.891 2.366 1.00 0.00 C ATOM 1082 O TYR B 13 2.612 5.247 2.688 1.00 0.00 O ATOM 1083 CB TYR B 13 4.483 5.596 4.699 1.00 0.00 C ATOM 1084 CG TYR B 13 5.724 5.595 5.561 1.00 0.00 C ATOM 1085 CD1 TYR B 13 6.227 6.801 6.065 1.00 0.00 C ATOM 1086 CD2 TYR B 13 6.367 4.389 5.862 1.00 0.00 C ATOM 1087 CE1 TYR B 13 7.372 6.801 6.869 1.00 0.00 C ATOM 1088 CE2 TYR B 13 7.514 4.389 6.667 1.00 0.00 C ATOM 1089 CZ TYR B 13 8.016 5.595 7.171 1.00 0.00 C ATOM 1090 OH TYR B 13 9.143 5.594 7.966 1.00 0.00 O ATOM 0 H TYR B 13 6.501 7.251 3.059 1.00 0.00 H new ATOM 0 HA TYR B 13 5.527 5.145 2.821 1.00 0.00 H new ATOM 0 HB2 TYR B 13 3.779 6.344 5.062 1.00 0.00 H new ATOM 0 HB3 TYR B 13 3.984 4.629 4.765 1.00 0.00 H new ATOM 0 HD1 TYR B 13 5.731 7.732 5.833 1.00 0.00 H new ATOM 0 HD2 TYR B 13 5.979 3.459 5.474 1.00 0.00 H new ATOM 0 HE1 TYR B 13 7.759 7.732 7.257 1.00 0.00 H new ATOM 0 HE2 TYR B 13 8.011 3.459 6.899 1.00 0.00 H new ATOM 0 HH TYR B 13 9.727 6.337 7.707 1.00 0.00 H new ATOM 1100 N GLN B 14 3.610 6.608 1.270 1.00 0.00 N ATOM 1101 CA GLN B 14 2.409 6.648 0.379 1.00 0.00 C ATOM 1102 C GLN B 14 2.673 5.848 -0.904 1.00 0.00 C ATOM 1103 O GLN B 14 3.773 5.385 -1.136 1.00 0.00 O ATOM 1104 CB GLN B 14 2.193 8.134 0.067 1.00 0.00 C ATOM 1105 CG GLN B 14 3.414 8.708 -0.673 1.00 0.00 C ATOM 1106 CD GLN B 14 2.970 9.339 -1.997 1.00 0.00 C ATOM 1107 OE1 GLN B 14 1.898 9.906 -2.083 1.00 0.00 O ATOM 1108 NE2 GLN B 14 3.750 9.258 -3.041 1.00 0.00 N ATOM 0 H GLN B 14 4.402 7.167 0.954 1.00 0.00 H new ATOM 0 HA GLN B 14 1.530 6.204 0.847 1.00 0.00 H new ATOM 0 HB2 GLN B 14 1.298 8.258 -0.543 1.00 0.00 H new ATOM 0 HB3 GLN B 14 2.027 8.686 0.992 1.00 0.00 H new ATOM 0 HG2 GLN B 14 3.909 9.455 -0.052 1.00 0.00 H new ATOM 0 HG3 GLN B 14 4.141 7.918 -0.862 1.00 0.00 H new ATOM 0 HE21 GLN B 14 4.650 8.783 -2.970 1.00 0.00 H new ATOM 0 HE22 GLN B 14 3.460 9.670 -3.928 1.00 0.00 H new ATOM 1117 N VAL B 15 1.674 5.687 -1.739 1.00 0.00 N ATOM 1118 CA VAL B 15 1.869 4.920 -3.008 1.00 0.00 C ATOM 1119 C VAL B 15 0.651 5.080 -3.926 1.00 0.00 C ATOM 1120 O VAL B 15 -0.481 5.092 -3.480 1.00 0.00 O ATOM 1121 CB VAL B 15 2.046 3.456 -2.571 1.00 0.00 C ATOM 1122 CG1 VAL B 15 0.808 2.982 -1.804 1.00 0.00 C ATOM 1123 CG2 VAL B 15 2.252 2.569 -3.804 1.00 0.00 C ATOM 0 H VAL B 15 0.733 6.054 -1.596 1.00 0.00 H new ATOM 0 HA VAL B 15 2.729 5.276 -3.575 1.00 0.00 H new ATOM 0 HB VAL B 15 2.918 3.386 -1.921 1.00 0.00 H new ATOM 0 HG11 VAL B 15 0.944 1.944 -1.499 1.00 0.00 H new ATOM 0 HG12 VAL B 15 0.667 3.604 -0.920 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -0.070 3.060 -2.446 1.00 0.00 H new ATOM 0 HG21 VAL B 15 2.377 1.533 -3.490 1.00 0.00 H new ATOM 0 HG22 VAL B 15 1.384 2.648 -4.458 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.142 2.895 -4.342 1.00 0.00 H new ATOM 1133 N THR B 16 0.885 5.192 -5.210 1.00 0.00 N ATOM 1134 CA THR B 16 -0.245 5.340 -6.175 1.00 0.00 C ATOM 1135 C THR B 16 -0.405 4.042 -6.974 1.00 0.00 C ATOM 1136 O THR B 16 0.387 3.127 -6.840 1.00 0.00 O ATOM 1137 CB THR B 16 0.145 6.509 -7.091 1.00 0.00 C ATOM 1138 OG1 THR B 16 -0.870 6.700 -8.065 1.00 0.00 O ATOM 1139 CG2 THR B 16 1.474 6.215 -7.791 1.00 0.00 C ATOM 0 H THR B 16 1.814 5.187 -5.632 1.00 0.00 H new ATOM 0 HA THR B 16 -1.196 5.534 -5.680 1.00 0.00 H new ATOM 0 HB THR B 16 0.256 7.411 -6.489 1.00 0.00 H new ATOM 0 HG1 THR B 16 -0.625 7.447 -8.651 1.00 0.00 H new ATOM 0 HG21 THR B 16 1.738 7.052 -8.437 1.00 0.00 H new ATOM 0 HG22 THR B 16 2.255 6.073 -7.044 1.00 0.00 H new ATOM 0 HG23 THR B 16 1.377 5.310 -8.391 1.00 0.00 H new ATOM 1147 N ILE B 17 -1.423 3.946 -7.793 1.00 0.00 N ATOM 1148 CA ILE B 17 -1.630 2.692 -8.585 1.00 0.00 C ATOM 1149 C ILE B 17 -1.309 2.937 -10.071 1.00 0.00 C ATOM 1150 O ILE B 17 -1.754 3.918 -10.633 1.00 0.00 O ATOM 1151 CB ILE B 17 -3.114 2.334 -8.418 1.00 0.00 C ATOM 1152 CG1 ILE B 17 -3.501 2.294 -6.926 1.00 0.00 C ATOM 1153 CG2 ILE B 17 -3.375 0.962 -9.043 1.00 0.00 C ATOM 1154 CD1 ILE B 17 -2.624 1.286 -6.172 1.00 0.00 C ATOM 0 H ILE B 17 -2.117 4.677 -7.948 1.00 0.00 H new ATOM 0 HA ILE B 17 -0.978 1.889 -8.241 1.00 0.00 H new ATOM 0 HB ILE B 17 -3.715 3.095 -8.915 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -3.386 3.285 -6.487 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -4.551 2.020 -6.823 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -4.428 0.704 -8.927 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.123 0.991 -10.103 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -2.760 0.212 -8.545 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -2.910 1.270 -5.120 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -2.761 0.293 -6.600 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -1.577 1.578 -6.259 1.00 0.00 H new ATOM 1166 N PRO B 18 -0.553 2.037 -10.673 1.00 0.00 N ATOM 1167 CA PRO B 18 -0.206 2.196 -12.107 1.00 0.00 C ATOM 1168 C PRO B 18 -1.436 1.936 -12.979 1.00 0.00 C ATOM 1169 O PRO B 18 -2.367 1.268 -12.569 1.00 0.00 O ATOM 1170 CB PRO B 18 0.857 1.130 -12.357 1.00 0.00 C ATOM 1171 CG PRO B 18 0.665 0.115 -11.276 1.00 0.00 C ATOM 1172 CD PRO B 18 0.043 0.818 -10.099 1.00 0.00 C ATOM 0 HA PRO B 18 0.145 3.200 -12.346 1.00 0.00 H new ATOM 0 HB2 PRO B 18 0.738 0.681 -13.343 1.00 0.00 H new ATOM 0 HB3 PRO B 18 1.859 1.558 -12.320 1.00 0.00 H new ATOM 0 HG2 PRO B 18 0.023 -0.696 -11.621 1.00 0.00 H new ATOM 0 HG3 PRO B 18 1.619 -0.331 -10.995 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -0.711 0.196 -9.618 1.00 0.00 H new ATOM 0 HD3 PRO B 18 0.788 1.059 -9.341 1.00 0.00 H new ATOM 1180 N ALA B 19 -1.444 2.460 -14.178 1.00 0.00 N ATOM 1181 CA ALA B 19 -2.614 2.244 -15.088 1.00 0.00 C ATOM 1182 C ALA B 19 -2.834 0.746 -15.340 1.00 0.00 C ATOM 1183 O ALA B 19 -3.910 0.330 -15.724 1.00 0.00 O ATOM 1184 CB ALA B 19 -2.245 2.954 -16.393 1.00 0.00 C ATOM 0 H ALA B 19 -0.692 3.028 -14.568 1.00 0.00 H new ATOM 0 HA ALA B 19 -3.538 2.631 -14.658 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -3.057 2.839 -17.112 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -2.081 4.014 -16.197 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -1.334 2.515 -16.801 1.00 0.00 H new ATOM 1190 N LYS B 20 -1.823 -0.066 -15.128 1.00 0.00 N ATOM 1191 CA LYS B 20 -1.975 -1.536 -15.359 1.00 0.00 C ATOM 1192 C LYS B 20 -2.872 -2.158 -14.283 1.00 0.00 C ATOM 1193 O LYS B 20 -3.847 -2.817 -14.590 1.00 0.00 O ATOM 1194 CB LYS B 20 -0.556 -2.105 -15.275 1.00 0.00 C ATOM 1195 CG LYS B 20 0.008 -2.291 -16.688 1.00 0.00 C ATOM 1196 CD LYS B 20 1.438 -2.843 -16.610 1.00 0.00 C ATOM 1197 CE LYS B 20 2.441 -1.748 -16.982 1.00 0.00 C ATOM 1198 NZ LYS B 20 3.749 -2.452 -17.088 1.00 0.00 N ATOM 0 H LYS B 20 -0.901 0.228 -14.805 1.00 0.00 H new ATOM 0 HA LYS B 20 -2.442 -1.752 -16.320 1.00 0.00 H new ATOM 0 HB2 LYS B 20 0.083 -1.432 -14.703 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -0.567 -3.059 -14.748 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -0.625 -2.974 -17.255 1.00 0.00 H new ATOM 0 HG3 LYS B 20 0.005 -1.339 -17.219 1.00 0.00 H new ATOM 0 HD2 LYS B 20 1.642 -3.208 -15.603 1.00 0.00 H new ATOM 0 HD3 LYS B 20 1.547 -3.692 -17.285 1.00 0.00 H new ATOM 0 HE2 LYS B 20 2.172 -1.268 -17.923 1.00 0.00 H new ATOM 0 HE3 LYS B 20 2.473 -0.966 -16.223 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 4.491 -1.769 -17.341 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 3.981 -2.893 -16.175 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 3.690 -3.186 -17.822 1.00 0.00 H new ATOM 1212 N VAL B 21 -2.560 -1.948 -13.023 1.00 0.00 N ATOM 1213 CA VAL B 21 -3.414 -2.526 -11.933 1.00 0.00 C ATOM 1214 C VAL B 21 -4.838 -1.979 -12.062 1.00 0.00 C ATOM 1215 O VAL B 21 -5.806 -2.707 -11.955 1.00 0.00 O ATOM 1216 CB VAL B 21 -2.776 -2.064 -10.614 1.00 0.00 C ATOM 1217 CG1 VAL B 21 -3.595 -2.583 -9.424 1.00 0.00 C ATOM 1218 CG2 VAL B 21 -1.349 -2.610 -10.512 1.00 0.00 C ATOM 0 H VAL B 21 -1.757 -1.406 -12.704 1.00 0.00 H new ATOM 0 HA VAL B 21 -3.471 -3.613 -11.983 1.00 0.00 H new ATOM 0 HB VAL B 21 -2.757 -0.974 -10.596 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -3.135 -2.251 -8.493 1.00 0.00 H new ATOM 0 HG12 VAL B 21 -4.612 -2.195 -9.485 1.00 0.00 H new ATOM 0 HG13 VAL B 21 -3.620 -3.672 -9.447 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -0.899 -2.280 -9.575 1.00 0.00 H new ATOM 0 HG22 VAL B 21 -1.373 -3.699 -10.539 1.00 0.00 H new ATOM 0 HG23 VAL B 21 -0.757 -2.239 -11.349 1.00 0.00 H new ATOM 1228 N ARG B 22 -4.962 -0.699 -12.301 1.00 0.00 N ATOM 1229 CA ARG B 22 -6.319 -0.088 -12.450 1.00 0.00 C ATOM 1230 C ARG B 22 -7.058 -0.746 -13.618 1.00 0.00 C ATOM 1231 O ARG B 22 -8.267 -0.876 -13.605 1.00 0.00 O ATOM 1232 CB ARG B 22 -6.063 1.392 -12.739 1.00 0.00 C ATOM 1233 CG ARG B 22 -5.566 2.079 -11.465 1.00 0.00 C ATOM 1234 CD ARG B 22 -4.563 3.176 -11.834 1.00 0.00 C ATOM 1235 NE ARG B 22 -5.398 4.348 -12.247 1.00 0.00 N ATOM 1236 CZ ARG B 22 -4.850 5.498 -12.578 1.00 0.00 C ATOM 1237 NH1 ARG B 22 -3.546 5.658 -12.602 1.00 0.00 N ATOM 1238 NH2 ARG B 22 -5.622 6.500 -12.901 1.00 0.00 N ATOM 0 H ARG B 22 -4.182 -0.049 -12.400 1.00 0.00 H new ATOM 0 HA ARG B 22 -6.936 -0.223 -11.562 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -5.324 1.496 -13.534 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -6.978 1.869 -13.090 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -6.406 2.508 -10.919 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -5.097 1.349 -10.805 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -3.924 3.427 -10.987 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -3.908 2.854 -12.644 1.00 0.00 H new ATOM 0 HE ARG B 22 -6.413 4.253 -12.272 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -2.932 4.880 -12.360 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -3.148 6.560 -12.862 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -6.636 6.386 -12.895 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -5.212 7.397 -13.160 1.00 0.00 H new ATOM 1252 N GLN B 23 -6.332 -1.172 -14.618 1.00 0.00 N ATOM 1253 CA GLN B 23 -6.978 -1.841 -15.788 1.00 0.00 C ATOM 1254 C GLN B 23 -7.601 -3.165 -15.339 1.00 0.00 C ATOM 1255 O GLN B 23 -8.767 -3.425 -15.571 1.00 0.00 O ATOM 1256 CB GLN B 23 -5.842 -2.087 -16.784 1.00 0.00 C ATOM 1257 CG GLN B 23 -6.364 -1.940 -18.215 1.00 0.00 C ATOM 1258 CD GLN B 23 -6.546 -0.457 -18.547 1.00 0.00 C ATOM 1259 OE1 GLN B 23 -7.599 -0.047 -18.994 1.00 0.00 O ATOM 1260 NE2 GLN B 23 -5.558 0.373 -18.348 1.00 0.00 N ATOM 0 H GLN B 23 -5.317 -1.086 -14.676 1.00 0.00 H new ATOM 0 HA GLN B 23 -7.774 -1.241 -16.229 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -5.033 -1.378 -16.608 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -5.429 -3.085 -16.639 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -5.665 -2.397 -18.916 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -7.313 -2.466 -18.322 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -4.673 0.032 -17.973 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -5.671 1.363 -18.568 1.00 0.00 H new ATOM 1269 N LYS B 24 -6.827 -3.999 -14.690 1.00 0.00 N ATOM 1270 CA LYS B 24 -7.360 -5.309 -14.209 1.00 0.00 C ATOM 1271 C LYS B 24 -8.116 -5.128 -12.890 1.00 0.00 C ATOM 1272 O LYS B 24 -9.321 -5.283 -12.829 1.00 0.00 O ATOM 1273 CB LYS B 24 -6.123 -6.192 -14.001 1.00 0.00 C ATOM 1274 CG LYS B 24 -5.993 -7.197 -15.155 1.00 0.00 C ATOM 1275 CD LYS B 24 -4.833 -6.792 -16.071 1.00 0.00 C ATOM 1276 CE LYS B 24 -4.251 -8.039 -16.747 1.00 0.00 C ATOM 1277 NZ LYS B 24 -4.700 -7.953 -18.165 1.00 0.00 N ATOM 0 H LYS B 24 -5.845 -3.827 -14.472 1.00 0.00 H new ATOM 0 HA LYS B 24 -8.062 -5.749 -14.917 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -5.229 -5.572 -13.946 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -6.201 -6.723 -13.052 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -5.823 -8.198 -14.759 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -6.922 -7.233 -15.724 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -5.181 -6.086 -16.825 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -4.060 -6.285 -15.493 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -3.163 -8.054 -16.678 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -4.614 -8.951 -16.273 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -4.340 -8.773 -18.693 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -5.739 -7.947 -18.200 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -4.334 -7.078 -18.593 1.00 0.00 H new ATOM 1291 N PHE B 25 -7.412 -4.808 -11.831 1.00 0.00 N ATOM 1292 CA PHE B 25 -8.080 -4.626 -10.505 1.00 0.00 C ATOM 1293 C PHE B 25 -9.158 -3.539 -10.579 1.00 0.00 C ATOM 1294 O PHE B 25 -8.944 -2.477 -11.131 1.00 0.00 O ATOM 1295 CB PHE B 25 -6.968 -4.203 -9.546 1.00 0.00 C ATOM 1296 CG PHE B 25 -7.393 -4.504 -8.131 1.00 0.00 C ATOM 1297 CD1 PHE B 25 -7.471 -5.830 -7.694 1.00 0.00 C ATOM 1298 CD2 PHE B 25 -7.716 -3.459 -7.258 1.00 0.00 C ATOM 1299 CE1 PHE B 25 -7.870 -6.113 -6.385 1.00 0.00 C ATOM 1300 CE2 PHE B 25 -8.115 -3.740 -5.947 1.00 0.00 C ATOM 1301 CZ PHE B 25 -8.192 -5.069 -5.510 1.00 0.00 C ATOM 0 H PHE B 25 -6.402 -4.665 -11.828 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.578 -5.540 -10.180 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.046 -4.734 -9.782 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.760 -3.139 -9.658 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -7.223 -6.636 -8.369 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.657 -2.435 -7.597 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -7.930 -7.137 -6.048 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -8.363 -2.934 -5.273 1.00 0.00 H new ATOM 0 HZ PHE B 25 -8.500 -5.288 -4.498 1.00 0.00 H new ATOM 1311 N GLN B 26 -10.311 -3.800 -10.014 1.00 0.00 N ATOM 1312 CA GLN B 26 -11.409 -2.789 -10.031 1.00 0.00 C ATOM 1313 C GLN B 26 -11.193 -1.769 -8.909 1.00 0.00 C ATOM 1314 O GLN B 26 -11.099 -2.126 -7.749 1.00 0.00 O ATOM 1315 CB GLN B 26 -12.692 -3.588 -9.787 1.00 0.00 C ATOM 1316 CG GLN B 26 -13.217 -4.141 -11.115 1.00 0.00 C ATOM 1317 CD GLN B 26 -14.746 -4.197 -11.076 1.00 0.00 C ATOM 1318 OE1 GLN B 26 -15.320 -4.816 -10.202 1.00 0.00 O ATOM 1319 NE2 GLN B 26 -15.434 -3.573 -11.993 1.00 0.00 N ATOM 0 H GLN B 26 -10.538 -4.674 -9.540 1.00 0.00 H new ATOM 0 HA GLN B 26 -11.449 -2.235 -10.969 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -12.496 -4.406 -9.094 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -13.446 -2.951 -9.324 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -12.887 -3.510 -11.940 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -12.810 -5.137 -11.293 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -14.952 -3.053 -12.727 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -16.453 -3.605 -11.976 1.00 0.00 H new ATOM 1328 N ILE B 27 -11.113 -0.505 -9.243 1.00 0.00 N ATOM 1329 CA ILE B 27 -10.902 0.538 -8.194 1.00 0.00 C ATOM 1330 C ILE B 27 -11.170 1.934 -8.771 1.00 0.00 C ATOM 1331 O ILE B 27 -10.266 2.621 -9.211 1.00 0.00 O ATOM 1332 CB ILE B 27 -9.433 0.379 -7.768 1.00 0.00 C ATOM 1333 CG1 ILE B 27 -9.099 1.412 -6.685 1.00 0.00 C ATOM 1334 CG2 ILE B 27 -8.503 0.574 -8.977 1.00 0.00 C ATOM 1335 CD1 ILE B 27 -7.962 0.882 -5.809 1.00 0.00 C ATOM 0 H ILE B 27 -11.185 -0.151 -10.197 1.00 0.00 H new ATOM 0 HA ILE B 27 -11.578 0.423 -7.347 1.00 0.00 H new ATOM 0 HB ILE B 27 -9.286 -0.625 -7.371 1.00 0.00 H new ATOM 0 HG12 ILE B 27 -8.808 2.356 -7.145 1.00 0.00 H new ATOM 0 HG13 ILE B 27 -9.980 1.613 -6.075 1.00 0.00 H new ATOM 0 HG21 ILE B 27 -7.466 0.459 -8.661 1.00 0.00 H new ATOM 0 HG22 ILE B 27 -8.735 -0.171 -9.738 1.00 0.00 H new ATOM 0 HG23 ILE B 27 -8.648 1.572 -9.390 1.00 0.00 H new ATOM 0 HD11 ILE B 27 -7.724 1.616 -5.039 1.00 0.00 H new ATOM 0 HD12 ILE B 27 -8.270 -0.051 -5.338 1.00 0.00 H new ATOM 0 HD13 ILE B 27 -7.081 0.704 -6.425 1.00 0.00 H new ATOM 1347 N LYS B 28 -12.409 2.357 -8.771 1.00 0.00 N ATOM 1348 CA LYS B 28 -12.743 3.705 -9.320 1.00 0.00 C ATOM 1349 C LYS B 28 -12.810 4.736 -8.192 1.00 0.00 C ATOM 1350 O LYS B 28 -12.631 4.414 -7.033 1.00 0.00 O ATOM 1351 CB LYS B 28 -14.116 3.536 -9.981 1.00 0.00 C ATOM 1352 CG LYS B 28 -13.957 3.461 -11.510 1.00 0.00 C ATOM 1353 CD LYS B 28 -14.745 4.593 -12.173 1.00 0.00 C ATOM 1354 CE LYS B 28 -14.215 4.825 -13.589 1.00 0.00 C ATOM 1355 NZ LYS B 28 -15.419 5.154 -14.399 1.00 0.00 N ATOM 0 H LYS B 28 -13.204 1.826 -8.414 1.00 0.00 H new ATOM 0 HA LYS B 28 -11.993 4.060 -10.026 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -14.598 2.630 -9.612 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -14.763 4.372 -9.715 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.903 3.534 -11.779 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -14.312 2.497 -11.874 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -15.805 4.341 -12.207 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -14.654 5.506 -11.585 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -13.490 5.638 -13.611 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -13.711 3.938 -13.973 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -15.137 5.327 -15.385 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -16.088 4.359 -14.365 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -15.874 6.006 -14.014 1.00 0.00 H new ATOM 1369 N GLU B 29 -13.059 5.975 -8.530 1.00 0.00 N ATOM 1370 CA GLU B 29 -13.134 7.046 -7.486 1.00 0.00 C ATOM 1371 C GLU B 29 -14.342 6.821 -6.571 1.00 0.00 C ATOM 1372 O GLU B 29 -15.434 6.540 -7.027 1.00 0.00 O ATOM 1373 CB GLU B 29 -13.294 8.356 -8.266 1.00 0.00 C ATOM 1374 CG GLU B 29 -11.933 9.041 -8.413 1.00 0.00 C ATOM 1375 CD GLU B 29 -11.959 9.967 -9.629 1.00 0.00 C ATOM 1376 OE1 GLU B 29 -12.522 11.043 -9.517 1.00 0.00 O ATOM 1377 OE2 GLU B 29 -11.419 9.582 -10.654 1.00 0.00 O ATOM 0 H GLU B 29 -13.214 6.294 -9.486 1.00 0.00 H new ATOM 0 HA GLU B 29 -12.250 7.054 -6.848 1.00 0.00 H new ATOM 0 HB2 GLU B 29 -13.718 8.155 -9.250 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -13.990 9.016 -7.748 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -11.701 9.611 -7.513 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -11.148 8.294 -8.528 1.00 0.00 H new ATOM 1384 N GLY B 30 -14.149 6.957 -5.284 1.00 0.00 N ATOM 1385 CA GLY B 30 -15.276 6.768 -4.322 1.00 0.00 C ATOM 1386 C GLY B 30 -15.818 5.341 -4.424 1.00 0.00 C ATOM 1387 O GLY B 30 -17.012 5.129 -4.521 1.00 0.00 O ATOM 0 H GLY B 30 -13.254 7.192 -4.856 1.00 0.00 H new ATOM 0 HA2 GLY B 30 -14.934 6.964 -3.306 1.00 0.00 H new ATOM 0 HA3 GLY B 30 -16.070 7.483 -4.535 1.00 0.00 H new ATOM 1391 N ASP B 31 -14.950 4.362 -4.397 1.00 0.00 N ATOM 1392 CA ASP B 31 -15.411 2.944 -4.485 1.00 0.00 C ATOM 1393 C ASP B 31 -15.284 2.263 -3.123 1.00 0.00 C ATOM 1394 O ASP B 31 -14.916 2.884 -2.143 1.00 0.00 O ATOM 1395 CB ASP B 31 -14.475 2.287 -5.498 1.00 0.00 C ATOM 1396 CG ASP B 31 -15.121 2.322 -6.882 1.00 0.00 C ATOM 1397 OD1 ASP B 31 -15.176 3.394 -7.461 1.00 0.00 O ATOM 1398 OD2 ASP B 31 -15.552 1.276 -7.340 1.00 0.00 O ATOM 0 H ASP B 31 -13.940 4.484 -4.318 1.00 0.00 H new ATOM 0 HA ASP B 31 -16.456 2.867 -4.784 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -13.518 2.809 -5.518 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -14.270 1.257 -5.206 1.00 0.00 H new ATOM 1403 N LEU B 32 -15.578 0.989 -3.057 1.00 0.00 N ATOM 1404 CA LEU B 32 -15.466 0.260 -1.760 1.00 0.00 C ATOM 1405 C LEU B 32 -14.114 -0.449 -1.678 1.00 0.00 C ATOM 1406 O LEU B 32 -14.013 -1.641 -1.900 1.00 0.00 O ATOM 1407 CB LEU B 32 -16.612 -0.759 -1.766 1.00 0.00 C ATOM 1408 CG LEU B 32 -17.769 -0.269 -0.879 1.00 0.00 C ATOM 1409 CD1 LEU B 32 -17.282 -0.070 0.562 1.00 0.00 C ATOM 1410 CD2 LEU B 32 -18.314 1.055 -1.425 1.00 0.00 C ATOM 0 H LEU B 32 -15.891 0.423 -3.846 1.00 0.00 H new ATOM 0 HA LEU B 32 -15.531 0.929 -0.902 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -16.966 -0.912 -2.785 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -16.252 -1.723 -1.406 1.00 0.00 H new ATOM 0 HG LEU B 32 -18.561 -1.018 -0.886 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -18.109 0.277 1.181 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -16.908 -1.016 0.953 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -16.482 0.671 0.577 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -19.134 1.399 -0.794 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -17.520 1.802 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -18.677 0.907 -2.442 1.00 0.00 H new ATOM 1422 N VAL B 33 -13.074 0.282 -1.367 1.00 0.00 N ATOM 1423 CA VAL B 33 -11.718 -0.336 -1.274 1.00 0.00 C ATOM 1424 C VAL B 33 -11.504 -0.930 0.120 1.00 0.00 C ATOM 1425 O VAL B 33 -11.493 -0.224 1.112 1.00 0.00 O ATOM 1426 CB VAL B 33 -10.736 0.811 -1.533 1.00 0.00 C ATOM 1427 CG1 VAL B 33 -9.298 0.290 -1.458 1.00 0.00 C ATOM 1428 CG2 VAL B 33 -10.987 1.392 -2.926 1.00 0.00 C ATOM 0 H VAL B 33 -13.106 1.283 -1.173 1.00 0.00 H new ATOM 0 HA VAL B 33 -11.584 -1.149 -1.987 1.00 0.00 H new ATOM 0 HB VAL B 33 -10.882 1.584 -0.778 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -8.604 1.110 -1.643 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -9.113 -0.126 -0.468 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -9.152 -0.485 -2.210 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -10.289 2.208 -3.111 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -10.843 0.614 -3.676 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -12.008 1.768 -2.985 1.00 0.00 H new ATOM 1438 N LYS B 34 -11.327 -2.222 0.195 1.00 0.00 N ATOM 1439 CA LYS B 34 -11.105 -2.880 1.515 1.00 0.00 C ATOM 1440 C LYS B 34 -9.616 -3.178 1.701 1.00 0.00 C ATOM 1441 O LYS B 34 -8.928 -3.540 0.765 1.00 0.00 O ATOM 1442 CB LYS B 34 -11.906 -4.179 1.447 1.00 0.00 C ATOM 1443 CG LYS B 34 -13.400 -3.868 1.572 1.00 0.00 C ATOM 1444 CD LYS B 34 -14.178 -5.160 1.868 1.00 0.00 C ATOM 1445 CE LYS B 34 -15.345 -5.300 0.886 1.00 0.00 C ATOM 1446 NZ LYS B 34 -16.397 -4.384 1.404 1.00 0.00 N ATOM 0 H LYS B 34 -11.327 -2.853 -0.606 1.00 0.00 H new ATOM 0 HA LYS B 34 -11.416 -2.254 2.352 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -11.708 -4.691 0.505 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -11.596 -4.852 2.247 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -13.564 -3.143 2.369 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -13.765 -3.416 0.650 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -13.515 -6.021 1.785 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -14.552 -5.144 2.892 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -15.045 -5.025 -0.125 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -15.703 -6.328 0.843 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -17.266 -4.924 1.591 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -16.068 -3.941 2.286 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -16.593 -3.646 0.698 1.00 0.00 H new ATOM 1460 N VAL B 35 -9.113 -3.031 2.900 1.00 0.00 N ATOM 1461 CA VAL B 35 -7.664 -3.306 3.148 1.00 0.00 C ATOM 1462 C VAL B 35 -7.500 -4.060 4.470 1.00 0.00 C ATOM 1463 O VAL B 35 -7.916 -3.587 5.512 1.00 0.00 O ATOM 1464 CB VAL B 35 -6.990 -1.931 3.238 1.00 0.00 C ATOM 1465 CG1 VAL B 35 -5.475 -2.118 3.340 1.00 0.00 C ATOM 1466 CG2 VAL B 35 -7.310 -1.100 1.990 1.00 0.00 C ATOM 0 H VAL B 35 -9.643 -2.732 3.719 1.00 0.00 H new ATOM 0 HA VAL B 35 -7.224 -3.918 2.360 1.00 0.00 H new ATOM 0 HB VAL B 35 -7.364 -1.410 4.119 1.00 0.00 H new ATOM 0 HG11 VAL B 35 -4.992 -1.143 3.404 1.00 0.00 H new ATOM 0 HG12 VAL B 35 -5.239 -2.699 4.231 1.00 0.00 H new ATOM 0 HG13 VAL B 35 -5.113 -2.645 2.457 1.00 0.00 H new ATOM 0 HG21 VAL B 35 -6.826 -0.127 2.067 1.00 0.00 H new ATOM 0 HG22 VAL B 35 -6.944 -1.619 1.104 1.00 0.00 H new ATOM 0 HG23 VAL B 35 -8.388 -0.963 1.911 1.00 0.00 H new ATOM 1476 N THR B 36 -6.904 -5.228 4.440 1.00 0.00 N ATOM 1477 CA THR B 36 -6.730 -6.006 5.708 1.00 0.00 C ATOM 1478 C THR B 36 -5.362 -6.693 5.755 1.00 0.00 C ATOM 1479 O THR B 36 -4.831 -7.119 4.747 1.00 0.00 O ATOM 1480 CB THR B 36 -7.842 -7.062 5.693 1.00 0.00 C ATOM 1481 OG1 THR B 36 -7.637 -7.947 4.602 1.00 0.00 O ATOM 1482 CG2 THR B 36 -9.211 -6.389 5.555 1.00 0.00 C ATOM 0 H THR B 36 -6.533 -5.673 3.601 1.00 0.00 H new ATOM 0 HA THR B 36 -6.785 -5.354 6.580 1.00 0.00 H new ATOM 0 HB THR B 36 -7.815 -7.619 6.630 1.00 0.00 H new ATOM 0 HG1 THR B 36 -8.346 -8.624 4.592 1.00 0.00 H new ATOM 0 HG21 THR B 36 -9.991 -7.150 5.546 1.00 0.00 H new ATOM 0 HG22 THR B 36 -9.372 -5.715 6.396 1.00 0.00 H new ATOM 0 HG23 THR B 36 -9.246 -5.822 4.625 1.00 0.00 H new ATOM 1490 N PHE B 37 -4.804 -6.816 6.933 1.00 0.00 N ATOM 1491 CA PHE B 37 -3.482 -7.492 7.085 1.00 0.00 C ATOM 1492 C PHE B 37 -3.705 -8.885 7.688 1.00 0.00 C ATOM 1493 O PHE B 37 -4.562 -9.073 8.533 1.00 0.00 O ATOM 1494 CB PHE B 37 -2.682 -6.583 8.039 1.00 0.00 C ATOM 1495 CG PHE B 37 -1.389 -7.252 8.472 1.00 0.00 C ATOM 1496 CD1 PHE B 37 -0.568 -7.886 7.529 1.00 0.00 C ATOM 1497 CD2 PHE B 37 -1.016 -7.233 9.821 1.00 0.00 C ATOM 1498 CE1 PHE B 37 0.623 -8.500 7.936 1.00 0.00 C ATOM 1499 CE2 PHE B 37 0.176 -7.846 10.227 1.00 0.00 C ATOM 1500 CZ PHE B 37 0.995 -8.480 9.285 1.00 0.00 C ATOM 0 H PHE B 37 -5.212 -6.474 7.803 1.00 0.00 H new ATOM 0 HA PHE B 37 -2.952 -7.631 6.143 1.00 0.00 H new ATOM 0 HB2 PHE B 37 -2.459 -5.638 7.544 1.00 0.00 H new ATOM 0 HB3 PHE B 37 -3.286 -6.349 8.916 1.00 0.00 H new ATOM 0 HD1 PHE B 37 -0.854 -7.901 6.488 1.00 0.00 H new ATOM 0 HD2 PHE B 37 -1.648 -6.746 10.549 1.00 0.00 H new ATOM 0 HE1 PHE B 37 1.254 -8.989 7.209 1.00 0.00 H new ATOM 0 HE2 PHE B 37 0.464 -7.830 11.268 1.00 0.00 H new ATOM 0 HZ PHE B 37 1.913 -8.953 9.599 1.00 0.00 H new ATOM 1510 N ASP B 38 -2.950 -9.861 7.254 1.00 0.00 N ATOM 1511 CA ASP B 38 -3.122 -11.244 7.793 1.00 0.00 C ATOM 1512 C ASP B 38 -2.065 -11.529 8.864 1.00 0.00 C ATOM 1513 O ASP B 38 -0.940 -11.073 8.772 1.00 0.00 O ATOM 1514 CB ASP B 38 -2.936 -12.170 6.582 1.00 0.00 C ATOM 1515 CG ASP B 38 -4.161 -13.076 6.430 1.00 0.00 C ATOM 1516 OD1 ASP B 38 -5.199 -12.573 6.030 1.00 0.00 O ATOM 1517 OD2 ASP B 38 -4.040 -14.256 6.715 1.00 0.00 O ATOM 0 H ASP B 38 -2.220 -9.760 6.548 1.00 0.00 H new ATOM 0 HA ASP B 38 -4.094 -11.387 8.265 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -2.796 -11.578 5.678 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -2.038 -12.775 6.709 1.00 0.00 H new ATOM 1522 N GLU B 39 -2.419 -12.281 9.875 1.00 0.00 N ATOM 1523 CA GLU B 39 -1.442 -12.603 10.957 1.00 0.00 C ATOM 1524 C GLU B 39 -0.838 -13.990 10.720 1.00 0.00 C ATOM 1525 O GLU B 39 -0.520 -14.704 11.652 1.00 0.00 O ATOM 1526 CB GLU B 39 -2.256 -12.584 12.256 1.00 0.00 C ATOM 1527 CG GLU B 39 -1.510 -11.775 13.322 1.00 0.00 C ATOM 1528 CD GLU B 39 -1.911 -10.303 13.215 1.00 0.00 C ATOM 1529 OE1 GLU B 39 -1.324 -9.607 12.403 1.00 0.00 O ATOM 1530 OE2 GLU B 39 -2.799 -9.897 13.946 1.00 0.00 O ATOM 0 H GLU B 39 -3.347 -12.687 9.997 1.00 0.00 H new ATOM 0 HA GLU B 39 -0.615 -11.894 10.991 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -3.238 -12.146 12.075 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -2.421 -13.602 12.608 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -1.746 -12.156 14.315 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -0.434 -11.881 13.188 1.00 0.00 H new ATOM 1537 N SER B 40 -0.684 -14.371 9.479 1.00 0.00 N ATOM 1538 CA SER B 40 -0.105 -15.712 9.168 1.00 0.00 C ATOM 1539 C SER B 40 0.855 -15.607 7.979 1.00 0.00 C ATOM 1540 O SER B 40 2.025 -15.921 8.086 1.00 0.00 O ATOM 1541 CB SER B 40 -1.308 -16.594 8.820 1.00 0.00 C ATOM 1542 OG SER B 40 -1.294 -17.750 9.644 1.00 0.00 O ATOM 0 H SER B 40 -0.935 -13.810 8.665 1.00 0.00 H new ATOM 0 HA SER B 40 0.467 -16.121 10.001 1.00 0.00 H new ATOM 0 HB2 SER B 40 -2.235 -16.040 8.967 1.00 0.00 H new ATOM 0 HB3 SER B 40 -1.271 -16.881 7.769 1.00 0.00 H new ATOM 0 HG SER B 40 -2.063 -18.317 9.426 1.00 0.00 H new ATOM 1548 N GLU B 41 0.364 -15.165 6.849 1.00 0.00 N ATOM 1549 CA GLU B 41 1.240 -15.034 5.647 1.00 0.00 C ATOM 1550 C GLU B 41 2.062 -13.746 5.733 1.00 0.00 C ATOM 1551 O GLU B 41 3.165 -13.670 5.224 1.00 0.00 O ATOM 1552 CB GLU B 41 0.281 -14.984 4.456 1.00 0.00 C ATOM 1553 CG GLU B 41 0.089 -16.396 3.898 1.00 0.00 C ATOM 1554 CD GLU B 41 -0.455 -16.320 2.469 1.00 0.00 C ATOM 1555 OE1 GLU B 41 -0.129 -15.368 1.779 1.00 0.00 O ATOM 1556 OE2 GLU B 41 -1.188 -17.218 2.089 1.00 0.00 O ATOM 0 H GLU B 41 -0.608 -14.889 6.708 1.00 0.00 H new ATOM 0 HA GLU B 41 1.948 -15.858 5.560 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -0.679 -14.570 4.765 1.00 0.00 H new ATOM 0 HB3 GLU B 41 0.678 -14.326 3.683 1.00 0.00 H new ATOM 0 HG2 GLU B 41 1.038 -16.933 3.908 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -0.600 -16.956 4.530 1.00 0.00 H new ATOM 1563 N GLY B 42 1.531 -12.736 6.373 1.00 0.00 N ATOM 1564 CA GLY B 42 2.274 -11.448 6.499 1.00 0.00 C ATOM 1565 C GLY B 42 2.057 -10.608 5.241 1.00 0.00 C ATOM 1566 O GLY B 42 2.979 -10.017 4.713 1.00 0.00 O ATOM 0 H GLY B 42 0.612 -12.749 6.815 1.00 0.00 H new ATOM 0 HA2 GLY B 42 1.930 -10.902 7.377 1.00 0.00 H new ATOM 0 HA3 GLY B 42 3.337 -11.642 6.641 1.00 0.00 H new ATOM 1570 N VAL B 43 0.843 -10.557 4.756 1.00 0.00 N ATOM 1571 CA VAL B 43 0.552 -9.762 3.526 1.00 0.00 C ATOM 1572 C VAL B 43 -0.759 -8.987 3.692 1.00 0.00 C ATOM 1573 O VAL B 43 -1.618 -9.372 4.464 1.00 0.00 O ATOM 1574 CB VAL B 43 0.427 -10.799 2.404 1.00 0.00 C ATOM 1575 CG1 VAL B 43 1.754 -11.552 2.253 1.00 0.00 C ATOM 1576 CG2 VAL B 43 -0.702 -11.797 2.724 1.00 0.00 C ATOM 0 H VAL B 43 0.038 -11.034 5.161 1.00 0.00 H new ATOM 0 HA VAL B 43 1.329 -9.027 3.317 1.00 0.00 H new ATOM 0 HB VAL B 43 0.190 -10.286 1.472 1.00 0.00 H new ATOM 0 HG11 VAL B 43 1.665 -12.289 1.455 1.00 0.00 H new ATOM 0 HG12 VAL B 43 2.547 -10.846 2.008 1.00 0.00 H new ATOM 0 HG13 VAL B 43 1.994 -12.057 3.189 1.00 0.00 H new ATOM 0 HG21 VAL B 43 -0.780 -12.528 1.919 1.00 0.00 H new ATOM 0 HG22 VAL B 43 -0.480 -12.310 3.660 1.00 0.00 H new ATOM 0 HG23 VAL B 43 -1.646 -11.260 2.820 1.00 0.00 H new ATOM 1586 N VAL B 44 -0.931 -7.914 2.958 1.00 0.00 N ATOM 1587 CA VAL B 44 -2.202 -7.137 3.057 1.00 0.00 C ATOM 1588 C VAL B 44 -3.021 -7.380 1.789 1.00 0.00 C ATOM 1589 O VAL B 44 -2.562 -7.141 0.687 1.00 0.00 O ATOM 1590 CB VAL B 44 -1.791 -5.664 3.177 1.00 0.00 C ATOM 1591 CG1 VAL B 44 -3.042 -4.792 3.298 1.00 0.00 C ATOM 1592 CG2 VAL B 44 -0.917 -5.470 4.421 1.00 0.00 C ATOM 0 H VAL B 44 -0.247 -7.545 2.297 1.00 0.00 H new ATOM 0 HA VAL B 44 -2.812 -7.431 3.911 1.00 0.00 H new ATOM 0 HB VAL B 44 -1.228 -5.376 2.289 1.00 0.00 H new ATOM 0 HG11 VAL B 44 -2.749 -3.746 3.383 1.00 0.00 H new ATOM 0 HG12 VAL B 44 -3.664 -4.924 2.413 1.00 0.00 H new ATOM 0 HG13 VAL B 44 -3.605 -5.085 4.184 1.00 0.00 H new ATOM 0 HG21 VAL B 44 -0.627 -4.422 4.502 1.00 0.00 H new ATOM 0 HG22 VAL B 44 -1.478 -5.761 5.309 1.00 0.00 H new ATOM 0 HG23 VAL B 44 -0.023 -6.088 4.338 1.00 0.00 H new ATOM 1602 N LYS B 45 -4.219 -7.882 1.940 1.00 0.00 N ATOM 1603 CA LYS B 45 -5.072 -8.177 0.750 1.00 0.00 C ATOM 1604 C LYS B 45 -6.153 -7.109 0.583 1.00 0.00 C ATOM 1605 O LYS B 45 -6.784 -6.694 1.539 1.00 0.00 O ATOM 1606 CB LYS B 45 -5.704 -9.534 1.060 1.00 0.00 C ATOM 1607 CG LYS B 45 -6.263 -10.147 -0.226 1.00 0.00 C ATOM 1608 CD LYS B 45 -6.626 -11.619 0.018 1.00 0.00 C ATOM 1609 CE LYS B 45 -8.145 -11.759 0.188 1.00 0.00 C ATOM 1610 NZ LYS B 45 -8.324 -12.567 1.428 1.00 0.00 N ATOM 0 H LYS B 45 -4.645 -8.101 2.840 1.00 0.00 H new ATOM 0 HA LYS B 45 -4.500 -8.186 -0.178 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -4.962 -10.200 1.499 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -6.501 -9.416 1.795 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -7.144 -9.594 -0.551 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -5.527 -10.072 -1.026 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -6.287 -12.230 -0.818 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -6.116 -11.986 0.909 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -8.623 -10.784 0.281 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -8.594 -12.254 -0.673 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -9.339 -12.704 1.609 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -7.865 -13.493 1.308 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -7.893 -12.068 2.233 1.00 0.00 H new ATOM 1624 N ILE B 46 -6.372 -6.670 -0.630 1.00 0.00 N ATOM 1625 CA ILE B 46 -7.419 -5.634 -0.879 1.00 0.00 C ATOM 1626 C ILE B 46 -8.378 -6.111 -1.977 1.00 0.00 C ATOM 1627 O ILE B 46 -7.994 -6.846 -2.867 1.00 0.00 O ATOM 1628 CB ILE B 46 -6.657 -4.382 -1.324 1.00 0.00 C ATOM 1629 CG1 ILE B 46 -5.852 -4.686 -2.589 1.00 0.00 C ATOM 1630 CG2 ILE B 46 -5.700 -3.939 -0.214 1.00 0.00 C ATOM 1631 CD1 ILE B 46 -5.338 -3.380 -3.200 1.00 0.00 C ATOM 0 H ILE B 46 -5.870 -6.985 -1.460 1.00 0.00 H new ATOM 0 HA ILE B 46 -8.023 -5.437 0.006 1.00 0.00 H new ATOM 0 HB ILE B 46 -7.373 -3.586 -1.531 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -5.014 -5.341 -2.350 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -6.475 -5.215 -3.310 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -5.159 -3.048 -0.534 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -6.269 -3.714 0.688 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -4.990 -4.739 -0.005 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -4.765 -3.600 -4.101 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -6.183 -2.740 -3.455 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -4.699 -2.868 -2.480 1.00 0.00 H new ATOM 1643 N GLN B 47 -9.618 -5.700 -1.917 1.00 0.00 N ATOM 1644 CA GLN B 47 -10.604 -6.132 -2.956 1.00 0.00 C ATOM 1645 C GLN B 47 -11.699 -5.072 -3.131 1.00 0.00 C ATOM 1646 O GLN B 47 -11.741 -4.089 -2.416 1.00 0.00 O ATOM 1647 CB GLN B 47 -11.194 -7.444 -2.424 1.00 0.00 C ATOM 1648 CG GLN B 47 -11.846 -7.209 -1.058 1.00 0.00 C ATOM 1649 CD GLN B 47 -12.341 -8.543 -0.489 1.00 0.00 C ATOM 1650 OE1 GLN B 47 -12.021 -8.896 0.627 1.00 0.00 O ATOM 1651 NE2 GLN B 47 -13.115 -9.302 -1.218 1.00 0.00 N ATOM 0 H GLN B 47 -9.992 -5.084 -1.195 1.00 0.00 H new ATOM 0 HA GLN B 47 -10.141 -6.263 -3.934 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -11.932 -7.832 -3.126 1.00 0.00 H new ATOM 0 HB3 GLN B 47 -10.410 -8.196 -2.337 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -11.129 -6.754 -0.375 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -12.679 -6.512 -1.156 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -13.384 -9.005 -2.156 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -13.451 -10.192 -0.849 1.00 0.00 H new ATOM 1660 N LEU B 48 -12.581 -5.269 -4.080 1.00 0.00 N ATOM 1661 CA LEU B 48 -13.676 -4.278 -4.312 1.00 0.00 C ATOM 1662 C LEU B 48 -15.005 -4.992 -4.585 1.00 0.00 C ATOM 1663 O LEU B 48 -15.902 -4.433 -5.185 1.00 0.00 O ATOM 1664 CB LEU B 48 -13.235 -3.490 -5.545 1.00 0.00 C ATOM 1665 CG LEU B 48 -13.650 -2.025 -5.394 1.00 0.00 C ATOM 1666 CD1 LEU B 48 -12.480 -1.220 -4.826 1.00 0.00 C ATOM 1667 CD2 LEU B 48 -14.039 -1.459 -6.762 1.00 0.00 C ATOM 0 H LEU B 48 -12.589 -6.075 -4.705 1.00 0.00 H new ATOM 0 HA LEU B 48 -13.837 -3.637 -3.445 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -12.154 -3.561 -5.667 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -13.686 -3.916 -6.441 1.00 0.00 H new ATOM 0 HG LEU B 48 -14.502 -1.958 -4.717 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -12.775 -0.176 -4.718 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -12.202 -1.621 -3.851 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -11.629 -1.288 -5.503 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -14.334 -0.415 -6.653 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -13.188 -1.526 -7.439 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -14.872 -2.032 -7.169 1.00 0.00 H new ATOM 1679 N LEU B 49 -15.142 -6.224 -4.148 1.00 0.00 N ATOM 1680 CA LEU B 49 -16.417 -6.984 -4.379 1.00 0.00 C ATOM 1681 C LEU B 49 -16.815 -6.947 -5.861 1.00 0.00 C ATOM 1682 O LEU B 49 -16.092 -6.433 -6.694 1.00 0.00 O ATOM 1683 CB LEU B 49 -17.473 -6.275 -3.523 1.00 0.00 C ATOM 1684 CG LEU B 49 -17.711 -7.068 -2.237 1.00 0.00 C ATOM 1685 CD1 LEU B 49 -18.016 -6.104 -1.088 1.00 0.00 C ATOM 1686 CD2 LEU B 49 -18.897 -8.015 -2.435 1.00 0.00 C ATOM 0 H LEU B 49 -14.423 -6.738 -3.639 1.00 0.00 H new ATOM 0 HA LEU B 49 -16.312 -8.035 -4.111 1.00 0.00 H new ATOM 0 HB2 LEU B 49 -17.142 -5.265 -3.283 1.00 0.00 H new ATOM 0 HB3 LEU B 49 -18.404 -6.181 -4.081 1.00 0.00 H new ATOM 0 HG LEU B 49 -16.818 -7.646 -1.998 1.00 0.00 H new ATOM 0 HD11 LEU B 49 -18.185 -6.671 -0.173 1.00 0.00 H new ATOM 0 HD12 LEU B 49 -17.172 -5.429 -0.946 1.00 0.00 H new ATOM 0 HD13 LEU B 49 -18.908 -5.525 -1.326 1.00 0.00 H new ATOM 0 HD21 LEU B 49 -19.068 -8.581 -1.519 1.00 0.00 H new ATOM 0 HD22 LEU B 49 -19.789 -7.436 -2.675 1.00 0.00 H new ATOM 0 HD23 LEU B 49 -18.680 -8.704 -3.252 1.00 0.00 H new ATOM 1698 N LYS B 50 -17.961 -7.489 -6.187 1.00 0.00 N ATOM 1699 CA LYS B 50 -18.418 -7.490 -7.608 1.00 0.00 C ATOM 1700 C LYS B 50 -19.915 -7.169 -7.681 1.00 0.00 C ATOM 1701 O LYS B 50 -20.633 -7.301 -6.708 1.00 0.00 O ATOM 1702 CB LYS B 50 -18.142 -8.911 -8.108 1.00 0.00 C ATOM 1703 CG LYS B 50 -17.800 -8.876 -9.603 1.00 0.00 C ATOM 1704 CD LYS B 50 -16.664 -9.864 -9.901 1.00 0.00 C ATOM 1705 CE LYS B 50 -15.334 -9.110 -10.000 1.00 0.00 C ATOM 1706 NZ LYS B 50 -14.402 -10.059 -10.671 1.00 0.00 N ATOM 0 H LYS B 50 -18.601 -7.932 -5.528 1.00 0.00 H new ATOM 0 HA LYS B 50 -17.906 -6.740 -8.211 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -17.317 -9.351 -7.547 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -19.015 -9.542 -7.939 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -18.680 -9.132 -10.193 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -17.503 -7.868 -9.894 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -16.608 -10.617 -9.114 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -16.864 -10.392 -10.834 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -15.443 -8.191 -10.576 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -14.966 -8.827 -9.014 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -13.468 -9.613 -10.775 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -14.312 -10.922 -10.097 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -14.774 -10.305 -11.610 1.00 0.00 H new ATOM 1720 N GLU B 51 -20.387 -6.748 -8.826 1.00 0.00 N ATOM 1721 CA GLU B 51 -21.837 -6.414 -8.970 1.00 0.00 C ATOM 1722 C GLU B 51 -22.377 -6.979 -10.294 1.00 0.00 C ATOM 1723 O GLU B 51 -21.607 -7.271 -11.189 1.00 0.00 O ATOM 1724 CB GLU B 51 -21.890 -4.884 -8.975 1.00 0.00 C ATOM 1725 CG GLU B 51 -21.630 -4.350 -7.561 1.00 0.00 C ATOM 1726 CD GLU B 51 -22.746 -4.804 -6.610 1.00 0.00 C ATOM 1727 OE1 GLU B 51 -23.820 -5.130 -7.090 1.00 0.00 O ATOM 1728 OE2 GLU B 51 -22.504 -4.814 -5.414 1.00 0.00 O ATOM 0 H GLU B 51 -19.829 -6.621 -9.670 1.00 0.00 H new ATOM 0 HA GLU B 51 -22.445 -6.839 -8.171 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -21.146 -4.488 -9.666 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -22.864 -4.546 -9.328 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -20.666 -4.709 -7.200 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -21.578 -3.261 -7.579 1.00 0.00 H new ATOM 1735 N PRO B 52 -23.685 -7.119 -10.389 1.00 0.00 N ATOM 1736 CA PRO B 52 -24.291 -7.654 -11.627 1.00 0.00 C ATOM 1737 C PRO B 52 -24.405 -6.544 -12.677 1.00 0.00 C ATOM 1738 O PRO B 52 -25.488 -6.111 -13.024 1.00 0.00 O ATOM 1739 CB PRO B 52 -25.676 -8.143 -11.189 1.00 0.00 C ATOM 1740 CG PRO B 52 -25.879 -7.666 -9.775 1.00 0.00 C ATOM 1741 CD PRO B 52 -24.704 -6.805 -9.386 1.00 0.00 C ATOM 0 HA PRO B 52 -23.701 -8.450 -12.081 1.00 0.00 H new ATOM 0 HB2 PRO B 52 -26.451 -7.747 -11.845 1.00 0.00 H new ATOM 0 HB3 PRO B 52 -25.737 -9.230 -11.243 1.00 0.00 H new ATOM 0 HG2 PRO B 52 -26.806 -7.099 -9.696 1.00 0.00 H new ATOM 0 HG3 PRO B 52 -25.966 -8.516 -9.098 1.00 0.00 H new ATOM 0 HD2 PRO B 52 -24.964 -5.746 -9.399 1.00 0.00 H new ATOM 0 HD3 PRO B 52 -24.357 -7.036 -8.379 1.00 0.00 H new ATOM 1749 N TRP B 53 -23.289 -6.083 -13.182 1.00 0.00 N ATOM 1750 CA TRP B 53 -23.313 -5.000 -14.209 1.00 0.00 C ATOM 1751 C TRP B 53 -23.444 -5.603 -15.612 1.00 0.00 C ATOM 1752 O TRP B 53 -22.462 -5.834 -16.291 1.00 0.00 O ATOM 1753 CB TRP B 53 -21.972 -4.281 -14.054 1.00 0.00 C ATOM 1754 CG TRP B 53 -22.096 -3.201 -13.027 1.00 0.00 C ATOM 1755 CD1 TRP B 53 -22.470 -3.388 -11.740 1.00 0.00 C ATOM 1756 CD2 TRP B 53 -21.852 -1.772 -13.179 1.00 0.00 C ATOM 1757 NE1 TRP B 53 -22.469 -2.166 -11.092 1.00 0.00 N ATOM 1758 CE2 TRP B 53 -22.096 -1.139 -11.937 1.00 0.00 C ATOM 1759 CE3 TRP B 53 -21.444 -0.974 -14.262 1.00 0.00 C ATOM 1760 CZ2 TRP B 53 -21.944 0.238 -11.777 1.00 0.00 C ATOM 1761 CZ3 TRP B 53 -21.290 0.413 -14.105 1.00 0.00 C ATOM 1762 CH2 TRP B 53 -21.538 1.018 -12.864 1.00 0.00 C ATOM 0 H TRP B 53 -22.358 -6.412 -12.925 1.00 0.00 H new ATOM 0 HA TRP B 53 -24.156 -4.322 -14.077 1.00 0.00 H new ATOM 0 HB2 TRP B 53 -21.200 -4.991 -13.758 1.00 0.00 H new ATOM 0 HB3 TRP B 53 -21.664 -3.855 -15.009 1.00 0.00 H new ATOM 0 HD1 TRP B 53 -22.727 -4.336 -11.292 1.00 0.00 H new ATOM 0 HE1 TRP B 53 -22.714 -2.039 -10.110 1.00 0.00 H new ATOM 0 HE3 TRP B 53 -21.248 -1.431 -15.221 1.00 0.00 H new ATOM 0 HZ2 TRP B 53 -22.139 0.699 -10.820 1.00 0.00 H new ATOM 0 HZ3 TRP B 53 -20.979 1.017 -14.944 1.00 0.00 H new ATOM 0 HH2 TRP B 53 -21.416 2.085 -12.748 1.00 0.00 H new ATOM 1773 N LYS B 54 -24.654 -5.856 -16.045 1.00 0.00 N ATOM 1774 CA LYS B 54 -24.862 -6.445 -17.405 1.00 0.00 C ATOM 1775 C LYS B 54 -24.351 -5.479 -18.482 1.00 0.00 C ATOM 1776 O LYS B 54 -23.172 -5.547 -18.796 1.00 0.00 O ATOM 1777 CB LYS B 54 -26.378 -6.642 -17.525 1.00 0.00 C ATOM 1778 CG LYS B 54 -26.676 -7.797 -18.483 1.00 0.00 C ATOM 1779 CD LYS B 54 -28.012 -7.542 -19.185 1.00 0.00 C ATOM 1780 CE LYS B 54 -28.587 -8.865 -19.699 1.00 0.00 C ATOM 1781 NZ LYS B 54 -30.043 -8.796 -19.391 1.00 0.00 N ATOM 1782 OXT LYS B 54 -25.141 -4.688 -18.970 1.00 0.00 O ATOM 0 H LYS B 54 -25.508 -5.680 -15.515 1.00 0.00 H new ATOM 0 HA LYS B 54 -24.321 -7.382 -17.540 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -26.806 -6.851 -16.544 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -26.845 -5.727 -17.888 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -25.877 -7.889 -19.219 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -26.714 -8.738 -17.935 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -28.713 -7.074 -18.494 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -27.871 -6.849 -20.015 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -28.415 -8.981 -20.769 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -28.119 -9.717 -19.206 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -30.508 -9.669 -19.714 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -30.176 -8.692 -18.365 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -30.463 -7.979 -19.879 1.00 0.00 H new TER 1796 LYS B 54