USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 722 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 91 SER OG : rot 23:sc= 0.829 USER MOD Set 1.2: A 93 THR OG1 : rot -89:sc= 0.827 USER MOD Set 2.1: A 26 GLN : amide:sc= -0.489 K(o=-0.49,f=-1.2) USER MOD Set 2.2: A 30 MET CE :methyl -150:sc= 0 (180deg=0) USER MOD Set 3.1: A 15 TYR OH : rot -122:sc= 0.00148 USER MOD Set 3.2: A 17 ASN : amide:sc= 0.00191 X(o=0.0034,f=-0.38) USER MOD Set 4.1: A 11 ASN : amide:sc= -0.0839 X(o=-0.084,f=0) USER MOD Set 4.2: A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 36:sc= 0.0551 USER MOD Single : A 21 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00197) USER MOD Single : A 28 HIS : no HE2:sc= -0.856 K(o=-0.86,f=-2) USER MOD Single : A 34 HIS : no HE2:sc= -1.13 K(o=-1.1,f=-3.7) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS :FLIP no HD1:sc= 0.0112 F(o=-1.2,f=0.011) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HE2:sc= -0.309 X(o=-0.31,f=-0.034) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0668) USER MOD Single : A 60 LYS NZ :NH3+ -172:sc=-0.00679 (180deg=-0.0936) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 150:sc= -1.14 USER MOD Single : A 68 LYS NZ :NH3+ -148:sc= 0.345 (180deg=0.0541) USER MOD Single : A 71 SER OG : rot 69:sc= -0.214 USER MOD Single : A 78 SER OG : rot 92:sc= 0.817 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 90 TYR OH : rot -104:sc= 0.00191 USER MOD Single : A 94 SER OG : rot 63:sc= 0.419 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 7 -1.433 -14.095 3.905 1.00 0.00 N ATOM 84 CA LYS A 7 -2.713 -13.636 3.297 1.00 0.00 C ATOM 85 C LYS A 7 -3.950 -14.444 3.782 1.00 0.00 C ATOM 86 O LYS A 7 -4.929 -14.586 3.043 1.00 0.00 O ATOM 87 CB LYS A 7 -2.581 -13.682 1.745 1.00 0.00 C ATOM 88 CG LYS A 7 -1.444 -12.795 1.184 1.00 0.00 C ATOM 89 CD LYS A 7 -1.347 -12.857 -0.357 1.00 0.00 C ATOM 90 CE LYS A 7 -0.164 -12.041 -0.913 1.00 0.00 C ATOM 91 NZ LYS A 7 -0.040 -12.170 -2.387 1.00 0.00 N ATOM 0 HA LYS A 7 -2.890 -12.612 3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.410 -14.713 1.435 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.526 -13.368 1.301 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.608 -11.763 1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.495 -13.111 1.617 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.244 -13.896 -0.669 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.275 -12.485 -0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.294 -10.991 -0.651 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.760 -12.375 -0.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.768 -11.605 -2.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.110 -13.168 -2.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.911 -11.827 -2.840 1.00 0.00 H new ATOM 105 N ILE A 8 -3.902 -14.914 5.044 1.00 0.00 N ATOM 106 CA ILE A 8 -4.968 -15.699 5.697 1.00 0.00 C ATOM 107 C ILE A 8 -6.309 -14.936 5.713 1.00 0.00 C ATOM 108 O ILE A 8 -7.362 -15.494 5.380 1.00 0.00 O ATOM 109 CB ILE A 8 -4.571 -16.020 7.191 1.00 0.00 C ATOM 110 CG1 ILE A 8 -3.150 -16.663 7.275 1.00 0.00 C ATOM 111 CG2 ILE A 8 -5.633 -16.916 7.878 1.00 0.00 C ATOM 112 CD1 ILE A 8 -2.626 -16.846 8.689 1.00 0.00 C ATOM 0 H ILE A 8 -3.100 -14.754 5.653 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.085 -16.618 5.123 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.539 -15.074 7.731 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.174 -17.634 6.781 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.449 -16.040 6.719 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.329 -17.118 8.905 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.595 -16.404 7.878 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.722 -17.857 7.334 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.635 -17.298 8.654 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.565 -15.876 9.183 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.301 -17.495 9.246 1.00 0.00 H new ATOM 124 N PHE A 9 -6.243 -13.652 6.108 1.00 0.00 N ATOM 125 CA PHE A 9 -7.430 -12.792 6.296 1.00 0.00 C ATOM 126 C PHE A 9 -7.464 -11.667 5.243 1.00 0.00 C ATOM 127 O PHE A 9 -8.215 -10.712 5.399 1.00 0.00 O ATOM 128 CB PHE A 9 -7.435 -12.198 7.740 1.00 0.00 C ATOM 129 CG PHE A 9 -7.352 -13.249 8.845 1.00 0.00 C ATOM 130 CD1 PHE A 9 -8.372 -14.187 9.022 1.00 0.00 C ATOM 131 CD2 PHE A 9 -6.246 -13.317 9.694 1.00 0.00 C ATOM 132 CE1 PHE A 9 -8.284 -15.155 10.006 1.00 0.00 C ATOM 133 CE2 PHE A 9 -6.160 -14.288 10.674 1.00 0.00 C ATOM 134 CZ PHE A 9 -7.180 -15.202 10.830 1.00 0.00 C ATOM 0 H PHE A 9 -5.362 -13.178 6.307 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.325 -13.400 6.164 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.595 -11.511 7.842 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.344 -11.612 7.878 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.241 -14.156 8.382 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.446 -12.600 9.584 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.080 -15.874 10.129 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.294 -14.331 11.317 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.114 -15.957 11.600 1.00 0.00 H new ATOM 144 N LYS A 10 -6.686 -11.817 4.150 1.00 0.00 N ATOM 145 CA LYS A 10 -6.469 -10.751 3.142 1.00 0.00 C ATOM 146 C LYS A 10 -7.799 -10.243 2.519 1.00 0.00 C ATOM 147 O LYS A 10 -7.992 -9.032 2.366 1.00 0.00 O ATOM 148 CB LYS A 10 -5.508 -11.249 2.028 1.00 0.00 C ATOM 149 CG LYS A 10 -4.854 -10.125 1.188 1.00 0.00 C ATOM 150 CD LYS A 10 -3.876 -9.263 2.029 1.00 0.00 C ATOM 151 CE LYS A 10 -3.192 -8.151 1.213 1.00 0.00 C ATOM 152 NZ LYS A 10 -4.147 -7.119 0.729 1.00 0.00 N ATOM 0 H LYS A 10 -6.188 -12.682 3.939 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.015 -9.907 3.661 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.720 -11.846 2.487 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.060 -11.909 1.359 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.317 -10.566 0.348 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.632 -9.486 0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.420 -8.813 2.859 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.112 -9.909 2.462 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.429 -7.673 1.827 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.681 -8.596 0.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.632 -6.396 0.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.861 -7.566 0.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.617 -6.672 1.542 1.00 0.00 H new ATOM 166 N ASN A 11 -8.710 -11.172 2.164 1.00 0.00 N ATOM 167 CA ASN A 11 -10.047 -10.812 1.613 1.00 0.00 C ATOM 168 C ASN A 11 -11.104 -10.703 2.730 1.00 0.00 C ATOM 169 O ASN A 11 -12.248 -10.318 2.469 1.00 0.00 O ATOM 170 CB ASN A 11 -10.509 -11.830 0.530 1.00 0.00 C ATOM 171 CG ASN A 11 -10.903 -13.219 1.067 1.00 0.00 C ATOM 172 OD1 ASN A 11 -10.093 -14.137 1.103 1.00 0.00 O ATOM 173 ND2 ASN A 11 -12.152 -13.376 1.499 1.00 0.00 N ATOM 0 H ASN A 11 -8.552 -12.176 2.246 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.946 -9.835 1.141 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.361 -11.408 -0.003 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.707 -11.953 -0.197 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.454 -14.277 1.871 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.808 -12.596 1.458 1.00 0.00 H new ATOM 180 N CYS A 12 -10.718 -11.053 3.963 1.00 0.00 N ATOM 181 CA CYS A 12 -11.636 -11.104 5.111 1.00 0.00 C ATOM 182 C CYS A 12 -11.549 -9.813 5.955 1.00 0.00 C ATOM 183 O CYS A 12 -10.459 -9.382 6.375 1.00 0.00 O ATOM 184 CB CYS A 12 -11.313 -12.342 5.977 1.00 0.00 C ATOM 185 SG CYS A 12 -11.342 -13.902 5.062 1.00 0.00 S ATOM 0 H CYS A 12 -9.758 -11.310 4.195 1.00 0.00 H new ATOM 0 HA CYS A 12 -12.657 -11.183 4.737 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.328 -12.213 6.425 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -12.031 -12.398 6.795 1.00 0.00 H new ATOM 0 HG CYS A 12 -11.058 -14.883 5.867 1.00 0.00 H new ATOM 191 N VAL A 13 -12.707 -9.184 6.166 1.00 0.00 N ATOM 192 CA VAL A 13 -12.864 -8.085 7.122 1.00 0.00 C ATOM 193 C VAL A 13 -13.571 -8.651 8.373 1.00 0.00 C ATOM 194 O VAL A 13 -14.577 -9.364 8.242 1.00 0.00 O ATOM 195 CB VAL A 13 -13.684 -6.897 6.497 1.00 0.00 C ATOM 196 CG1 VAL A 13 -13.733 -5.679 7.452 1.00 0.00 C ATOM 197 CG2 VAL A 13 -13.113 -6.490 5.112 1.00 0.00 C ATOM 0 H VAL A 13 -13.568 -9.424 5.675 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.888 -7.681 7.390 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.706 -7.247 6.352 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.307 -4.876 6.989 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.207 -5.970 8.389 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -12.719 -5.332 7.651 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.700 -5.667 4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.075 -6.175 5.224 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.162 -7.342 4.434 1.00 0.00 H new ATOM 207 N ILE A 14 -13.018 -8.374 9.573 1.00 0.00 N ATOM 208 CA ILE A 14 -13.510 -8.929 10.855 1.00 0.00 C ATOM 209 C ILE A 14 -13.989 -7.798 11.809 1.00 0.00 C ATOM 210 O ILE A 14 -13.331 -6.773 11.949 1.00 0.00 O ATOM 211 CB ILE A 14 -12.403 -9.804 11.586 1.00 0.00 C ATOM 212 CG1 ILE A 14 -12.092 -11.161 10.839 1.00 0.00 C ATOM 213 CG2 ILE A 14 -12.792 -10.076 13.060 1.00 0.00 C ATOM 214 CD1 ILE A 14 -11.238 -11.054 9.585 1.00 0.00 C ATOM 0 H ILE A 14 -12.214 -7.756 9.682 1.00 0.00 H new ATOM 0 HA ILE A 14 -14.354 -9.575 10.612 1.00 0.00 H new ATOM 0 HB ILE A 14 -11.487 -9.214 11.563 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -11.592 -11.831 11.538 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -13.039 -11.630 10.570 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -12.017 -10.677 13.536 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -12.894 -9.129 13.590 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -13.739 -10.614 13.093 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -11.091 -12.047 9.159 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -11.740 -10.417 8.856 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.270 -10.622 9.840 1.00 0.00 H new ATOM 226 N TYR A 15 -15.148 -8.014 12.452 1.00 0.00 N ATOM 227 CA TYR A 15 -15.655 -7.182 13.556 1.00 0.00 C ATOM 228 C TYR A 15 -15.706 -8.039 14.826 1.00 0.00 C ATOM 229 O TYR A 15 -16.403 -9.035 14.863 1.00 0.00 O ATOM 230 CB TYR A 15 -17.059 -6.621 13.202 1.00 0.00 C ATOM 231 CG TYR A 15 -17.897 -6.139 14.406 1.00 0.00 C ATOM 232 CD1 TYR A 15 -17.525 -5.025 15.163 1.00 0.00 C ATOM 233 CD2 TYR A 15 -19.058 -6.816 14.789 1.00 0.00 C ATOM 234 CE1 TYR A 15 -18.283 -4.613 16.244 1.00 0.00 C ATOM 235 CE2 TYR A 15 -19.810 -6.410 15.865 1.00 0.00 C ATOM 236 CZ TYR A 15 -19.419 -5.312 16.594 1.00 0.00 C ATOM 237 OH TYR A 15 -20.169 -4.913 17.683 1.00 0.00 O ATOM 0 H TYR A 15 -15.771 -8.786 12.215 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.994 -6.332 13.722 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -16.936 -5.789 12.509 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -17.619 -7.394 12.676 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -16.632 -4.477 14.900 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -19.373 -7.681 14.224 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -17.986 -3.745 16.813 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -20.704 -6.951 16.137 1.00 0.00 H new ATOM 0 HH TYR A 15 -20.231 -5.650 18.326 1.00 0.00 H new ATOM 247 N ILE A 16 -14.968 -7.634 15.860 1.00 0.00 N ATOM 248 CA ILE A 16 -14.917 -8.351 17.140 1.00 0.00 C ATOM 249 C ILE A 16 -15.978 -7.771 18.098 1.00 0.00 C ATOM 250 O ILE A 16 -16.148 -6.549 18.177 1.00 0.00 O ATOM 251 CB ILE A 16 -13.477 -8.279 17.759 1.00 0.00 C ATOM 252 CG1 ILE A 16 -12.415 -8.746 16.704 1.00 0.00 C ATOM 253 CG2 ILE A 16 -13.379 -9.125 19.050 1.00 0.00 C ATOM 254 CD1 ILE A 16 -10.981 -8.738 17.193 1.00 0.00 C ATOM 0 H ILE A 16 -14.386 -6.797 15.836 1.00 0.00 H new ATOM 0 HA ILE A 16 -15.143 -9.404 16.974 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.271 -7.243 18.029 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.667 -9.756 16.380 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.488 -8.102 15.828 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.370 -9.055 19.455 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -14.092 -8.751 19.785 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -13.607 -10.166 18.821 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.322 -9.076 16.393 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.703 -7.726 17.489 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.885 -9.406 18.049 1.00 0.00 H new ATOM 266 N ASN A 17 -16.666 -8.668 18.822 1.00 0.00 N ATOM 267 CA ASN A 17 -17.900 -8.357 19.564 1.00 0.00 C ATOM 268 C ASN A 17 -17.981 -9.218 20.844 1.00 0.00 C ATOM 269 O ASN A 17 -17.677 -10.416 20.808 1.00 0.00 O ATOM 270 CB ASN A 17 -19.119 -8.640 18.639 1.00 0.00 C ATOM 271 CG ASN A 17 -20.474 -8.233 19.231 1.00 0.00 C ATOM 272 OD1 ASN A 17 -20.573 -7.293 20.020 1.00 0.00 O ATOM 273 ND2 ASN A 17 -21.529 -8.928 18.833 1.00 0.00 N ATOM 0 H ASN A 17 -16.378 -9.642 18.910 1.00 0.00 H new ATOM 0 HA ASN A 17 -17.902 -7.308 19.861 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -18.975 -8.111 17.697 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -19.143 -9.705 18.406 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.458 -8.690 19.181 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -21.413 -9.701 18.178 1.00 0.00 H new ATOM 280 N GLY A 18 -18.383 -8.589 21.970 1.00 0.00 N ATOM 281 CA GLY A 18 -18.578 -9.294 23.252 1.00 0.00 C ATOM 282 C GLY A 18 -17.272 -9.714 23.919 1.00 0.00 C ATOM 283 O GLY A 18 -16.228 -9.086 23.707 1.00 0.00 O ATOM 0 H GLY A 18 -18.579 -7.589 22.015 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.133 -8.648 23.932 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -19.191 -10.179 23.082 1.00 0.00 H new ATOM 287 N TYR A 19 -17.326 -10.772 24.749 1.00 0.00 N ATOM 288 CA TYR A 19 -16.121 -11.384 25.339 1.00 0.00 C ATOM 289 C TYR A 19 -15.432 -12.271 24.298 1.00 0.00 C ATOM 290 O TYR A 19 -16.087 -13.094 23.654 1.00 0.00 O ATOM 291 CB TYR A 19 -16.476 -12.194 26.611 1.00 0.00 C ATOM 292 CG TYR A 19 -16.808 -11.313 27.828 1.00 0.00 C ATOM 293 CD1 TYR A 19 -18.052 -10.688 27.966 1.00 0.00 C ATOM 294 CD2 TYR A 19 -15.859 -11.097 28.837 1.00 0.00 C ATOM 295 CE1 TYR A 19 -18.338 -9.893 29.068 1.00 0.00 C ATOM 296 CE2 TYR A 19 -16.142 -10.307 29.934 1.00 0.00 C ATOM 297 CZ TYR A 19 -17.380 -9.703 30.046 1.00 0.00 C ATOM 298 OH TYR A 19 -17.658 -8.908 31.141 1.00 0.00 O ATOM 0 H TYR A 19 -18.197 -11.223 25.028 1.00 0.00 H new ATOM 0 HA TYR A 19 -15.434 -10.592 25.637 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.329 -12.838 26.396 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.639 -12.846 26.862 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -18.803 -10.826 27.202 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -14.886 -11.558 28.755 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -19.307 -9.424 29.161 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -15.397 -10.162 30.703 1.00 0.00 H new ATOM 0 HH TYR A 19 -16.877 -8.881 31.733 1.00 0.00 H new ATOM 308 N THR A 20 -14.121 -12.050 24.116 1.00 0.00 N ATOM 309 CA THR A 20 -13.276 -12.774 23.154 1.00 0.00 C ATOM 310 C THR A 20 -11.861 -12.902 23.746 1.00 0.00 C ATOM 311 O THR A 20 -11.291 -11.892 24.181 1.00 0.00 O ATOM 312 CB THR A 20 -13.204 -12.019 21.775 1.00 0.00 C ATOM 313 OG1 THR A 20 -12.963 -10.617 21.993 1.00 0.00 O ATOM 314 CG2 THR A 20 -14.477 -12.184 20.936 1.00 0.00 C ATOM 0 H THR A 20 -13.607 -11.346 24.646 1.00 0.00 H new ATOM 0 HA THR A 20 -13.709 -13.758 22.974 1.00 0.00 H new ATOM 0 HB THR A 20 -12.382 -12.468 21.217 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.369 -10.503 22.764 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.367 -11.641 19.997 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.640 -13.241 20.727 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.330 -11.787 21.487 1.00 0.00 H new ATOM 322 N LYS A 21 -11.304 -14.136 23.814 1.00 0.00 N ATOM 323 CA LYS A 21 -9.925 -14.350 24.310 1.00 0.00 C ATOM 324 C LYS A 21 -9.006 -14.871 23.189 1.00 0.00 C ATOM 325 O LYS A 21 -9.415 -15.742 22.428 1.00 0.00 O ATOM 326 CB LYS A 21 -9.863 -15.288 25.542 1.00 0.00 C ATOM 327 CG LYS A 21 -10.712 -14.833 26.758 1.00 0.00 C ATOM 328 CD LYS A 21 -10.450 -13.359 27.199 1.00 0.00 C ATOM 329 CE LYS A 21 -8.971 -13.042 27.495 1.00 0.00 C ATOM 330 NZ LYS A 21 -8.401 -13.935 28.524 1.00 0.00 N ATOM 0 H LYS A 21 -11.785 -14.991 23.534 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.565 -13.374 24.637 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.193 -16.282 25.240 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.824 -15.379 25.858 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.768 -14.946 26.513 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.507 -15.495 27.599 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.804 -12.689 26.416 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.041 -13.148 28.090 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.391 -13.133 26.576 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.883 -12.007 27.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.410 -13.673 28.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.947 -13.843 29.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.444 -14.920 28.192 1.00 0.00 H new ATOM 344 N PRO A 22 -7.746 -14.329 23.046 1.00 0.00 N ATOM 345 CA PRO A 22 -7.191 -13.220 23.887 1.00 0.00 C ATOM 346 C PRO A 22 -7.877 -11.867 23.598 1.00 0.00 C ATOM 347 O PRO A 22 -8.724 -11.796 22.703 1.00 0.00 O ATOM 348 CB PRO A 22 -5.697 -13.200 23.487 1.00 0.00 C ATOM 349 CG PRO A 22 -5.704 -13.654 22.063 1.00 0.00 C ATOM 350 CD PRO A 22 -6.756 -14.752 22.019 1.00 0.00 C ATOM 0 HA PRO A 22 -7.351 -13.378 24.954 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.269 -12.202 23.587 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.105 -13.865 24.116 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.955 -12.837 21.387 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.726 -14.029 21.761 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.211 -14.832 21.032 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.328 -15.727 22.252 1.00 0.00 H new ATOM 358 N GLY A 23 -7.514 -10.831 24.379 1.00 0.00 N ATOM 359 CA GLY A 23 -8.148 -9.510 24.292 1.00 0.00 C ATOM 360 C GLY A 23 -8.256 -8.981 22.860 1.00 0.00 C ATOM 361 O GLY A 23 -7.331 -9.187 22.064 1.00 0.00 O ATOM 0 H GLY A 23 -6.777 -10.890 25.082 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.146 -9.565 24.727 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.577 -8.801 24.891 1.00 0.00 H new ATOM 365 N ARG A 24 -9.390 -8.324 22.548 1.00 0.00 N ATOM 366 CA ARG A 24 -9.717 -7.819 21.197 1.00 0.00 C ATOM 367 C ARG A 24 -8.583 -6.993 20.578 1.00 0.00 C ATOM 368 O ARG A 24 -8.400 -7.044 19.366 1.00 0.00 O ATOM 369 CB ARG A 24 -11.064 -7.040 21.205 1.00 0.00 C ATOM 370 CG ARG A 24 -11.196 -5.961 22.307 1.00 0.00 C ATOM 371 CD ARG A 24 -12.531 -5.194 22.230 1.00 0.00 C ATOM 372 NE ARG A 24 -12.602 -4.342 21.017 1.00 0.00 N ATOM 373 CZ ARG A 24 -13.616 -4.307 20.142 1.00 0.00 C ATOM 374 NH1 ARG A 24 -14.621 -5.165 20.230 1.00 0.00 N ATOM 375 NH2 ARG A 24 -13.598 -3.434 19.145 1.00 0.00 N ATOM 0 H ARG A 24 -10.116 -8.125 23.236 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.836 -8.691 20.554 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.195 -6.562 20.234 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.878 -7.755 21.320 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.109 -6.434 23.285 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.370 -5.255 22.220 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -13.359 -5.903 22.226 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.647 -4.573 23.119 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.808 -3.728 20.833 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.630 -5.865 20.972 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.386 -5.126 19.556 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.813 -2.790 19.045 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.369 -3.406 18.478 1.00 0.00 H new ATOM 389 N LEU A 25 -7.843 -6.236 21.407 1.00 0.00 N ATOM 390 CA LEU A 25 -6.658 -5.469 20.952 1.00 0.00 C ATOM 391 C LEU A 25 -5.632 -6.380 20.229 1.00 0.00 C ATOM 392 O LEU A 25 -5.162 -6.052 19.132 1.00 0.00 O ATOM 393 CB LEU A 25 -6.021 -4.689 22.152 1.00 0.00 C ATOM 394 CG LEU A 25 -5.585 -5.523 23.429 1.00 0.00 C ATOM 395 CD1 LEU A 25 -4.116 -6.012 23.366 1.00 0.00 C ATOM 396 CD2 LEU A 25 -5.845 -4.745 24.744 1.00 0.00 C ATOM 0 H LEU A 25 -8.042 -6.135 22.402 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.984 -4.734 20.217 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.142 -4.162 21.780 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.734 -3.931 22.475 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.216 -6.412 23.426 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.881 -6.576 24.269 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.983 -6.652 22.494 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.449 -5.153 23.291 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.532 -5.352 25.594 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.278 -3.814 24.734 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.908 -4.521 24.830 1.00 0.00 H new ATOM 408 N GLN A 26 -5.357 -7.548 20.834 1.00 0.00 N ATOM 409 CA GLN A 26 -4.369 -8.523 20.334 1.00 0.00 C ATOM 410 C GLN A 26 -4.901 -9.245 19.088 1.00 0.00 C ATOM 411 O GLN A 26 -4.177 -9.403 18.105 1.00 0.00 O ATOM 412 CB GLN A 26 -4.019 -9.557 21.443 1.00 0.00 C ATOM 413 CG GLN A 26 -2.880 -10.526 21.052 1.00 0.00 C ATOM 414 CD GLN A 26 -1.524 -9.836 20.803 1.00 0.00 C ATOM 415 OE1 GLN A 26 -0.739 -10.269 19.960 1.00 0.00 O ATOM 416 NE2 GLN A 26 -1.223 -8.779 21.559 1.00 0.00 N ATOM 0 H GLN A 26 -5.819 -7.846 21.693 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.464 -7.981 20.060 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.734 -9.022 22.349 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.911 -10.136 21.682 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.759 -11.266 21.843 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.171 -11.067 20.152 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.891 -8.440 22.251 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.324 -8.310 21.445 1.00 0.00 H new ATOM 425 N LEU A 27 -6.175 -9.683 19.158 1.00 0.00 N ATOM 426 CA LEU A 27 -6.878 -10.319 18.022 1.00 0.00 C ATOM 427 C LEU A 27 -6.859 -9.417 16.778 1.00 0.00 C ATOM 428 O LEU A 27 -6.588 -9.886 15.683 1.00 0.00 O ATOM 429 CB LEU A 27 -8.343 -10.638 18.394 1.00 0.00 C ATOM 430 CG LEU A 27 -8.572 -11.771 19.424 1.00 0.00 C ATOM 431 CD1 LEU A 27 -10.063 -11.847 19.826 1.00 0.00 C ATOM 432 CD2 LEU A 27 -8.065 -13.126 18.875 1.00 0.00 C ATOM 0 H LEU A 27 -6.745 -9.607 20.000 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.351 -11.246 17.794 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.800 -9.728 18.783 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.877 -10.897 17.480 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.995 -11.543 20.321 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.204 -12.649 20.550 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.369 -10.900 20.270 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.669 -12.046 18.942 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.237 -13.906 19.617 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.602 -13.371 17.959 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.998 -13.056 18.662 1.00 0.00 H new ATOM 444 N HIS A 28 -7.142 -8.114 16.987 1.00 0.00 N ATOM 445 CA HIS A 28 -7.146 -7.089 15.915 1.00 0.00 C ATOM 446 C HIS A 28 -5.769 -7.008 15.238 1.00 0.00 C ATOM 447 O HIS A 28 -5.691 -6.903 14.019 1.00 0.00 O ATOM 448 CB HIS A 28 -7.578 -5.697 16.473 1.00 0.00 C ATOM 449 CG HIS A 28 -9.066 -5.510 16.600 1.00 0.00 C ATOM 450 ND1 HIS A 28 -9.696 -5.233 17.790 1.00 0.00 N ATOM 451 CD2 HIS A 28 -10.041 -5.540 15.668 1.00 0.00 C ATOM 452 CE1 HIS A 28 -10.986 -5.105 17.585 1.00 0.00 C ATOM 453 NE2 HIS A 28 -11.230 -5.278 16.300 1.00 0.00 N ATOM 0 H HIS A 28 -7.375 -7.739 17.906 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.877 -7.387 15.163 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.122 -5.555 17.453 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.181 -4.919 15.821 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -9.232 -5.141 18.694 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.909 -5.735 14.614 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.726 -4.893 18.343 1.00 0.00 H new ATOM 462 N GLU A 29 -4.692 -7.091 16.045 1.00 0.00 N ATOM 463 CA GLU A 29 -3.308 -7.117 15.524 1.00 0.00 C ATOM 464 C GLU A 29 -3.035 -8.410 14.733 1.00 0.00 C ATOM 465 O GLU A 29 -2.404 -8.370 13.687 1.00 0.00 O ATOM 466 CB GLU A 29 -2.285 -6.954 16.674 1.00 0.00 C ATOM 467 CG GLU A 29 -2.409 -5.617 17.417 1.00 0.00 C ATOM 468 CD GLU A 29 -1.338 -5.436 18.504 1.00 0.00 C ATOM 469 OE1 GLU A 29 -1.573 -5.852 19.661 1.00 0.00 O ATOM 470 OE2 GLU A 29 -0.255 -4.874 18.203 1.00 0.00 O ATOM 0 H GLU A 29 -4.753 -7.141 17.062 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.193 -6.275 14.841 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.416 -7.770 17.385 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.277 -7.044 16.269 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.333 -4.800 16.700 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.397 -5.550 17.873 1.00 0.00 H new ATOM 477 N MET A 30 -3.550 -9.545 15.229 1.00 0.00 N ATOM 478 CA MET A 30 -3.409 -10.860 14.553 1.00 0.00 C ATOM 479 C MET A 30 -4.112 -10.864 13.180 1.00 0.00 C ATOM 480 O MET A 30 -3.677 -11.540 12.250 1.00 0.00 O ATOM 481 CB MET A 30 -3.970 -11.994 15.450 1.00 0.00 C ATOM 482 CG MET A 30 -3.176 -12.245 16.735 1.00 0.00 C ATOM 483 SD MET A 30 -1.481 -12.785 16.399 1.00 0.00 S ATOM 484 CE MET A 30 -0.854 -13.123 18.046 1.00 0.00 C ATOM 0 H MET A 30 -4.074 -9.586 16.103 1.00 0.00 H new ATOM 0 HA MET A 30 -2.346 -11.037 14.386 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.999 -11.753 15.716 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.999 -12.917 14.870 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.153 -11.332 17.330 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.685 -13.002 17.332 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.220 -12.941 18.071 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.350 -12.471 18.765 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.051 -14.163 18.304 1.00 0.00 H new ATOM 494 N ILE A 31 -5.213 -10.116 13.087 1.00 0.00 N ATOM 495 CA ILE A 31 -5.976 -9.940 11.837 1.00 0.00 C ATOM 496 C ILE A 31 -5.212 -9.038 10.845 1.00 0.00 C ATOM 497 O ILE A 31 -4.955 -9.440 9.710 1.00 0.00 O ATOM 498 CB ILE A 31 -7.402 -9.353 12.171 1.00 0.00 C ATOM 499 CG1 ILE A 31 -8.201 -10.354 13.074 1.00 0.00 C ATOM 500 CG2 ILE A 31 -8.208 -8.989 10.895 1.00 0.00 C ATOM 501 CD1 ILE A 31 -9.380 -9.743 13.813 1.00 0.00 C ATOM 0 H ILE A 31 -5.608 -9.609 13.879 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.102 -10.909 11.355 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.252 -8.423 12.719 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.564 -11.172 12.452 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.518 -10.788 13.804 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -9.181 -8.590 11.181 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.663 -8.240 10.322 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.347 -9.882 10.285 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -9.871 -10.510 14.411 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.026 -8.945 14.466 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -10.089 -9.335 13.093 1.00 0.00 H new ATOM 513 N VAL A 32 -4.782 -7.858 11.319 1.00 0.00 N ATOM 514 CA VAL A 32 -4.166 -6.815 10.464 1.00 0.00 C ATOM 515 C VAL A 32 -2.789 -7.257 9.929 1.00 0.00 C ATOM 516 O VAL A 32 -2.500 -7.113 8.735 1.00 0.00 O ATOM 517 CB VAL A 32 -4.055 -5.449 11.234 1.00 0.00 C ATOM 518 CG1 VAL A 32 -3.249 -4.403 10.427 1.00 0.00 C ATOM 519 CG2 VAL A 32 -5.461 -4.905 11.578 1.00 0.00 C ATOM 0 H VAL A 32 -4.848 -7.595 12.302 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.821 -6.670 9.605 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.515 -5.636 12.162 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.194 -3.472 10.991 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.242 -4.779 10.248 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.743 -4.220 9.473 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.365 -3.959 12.111 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.025 -4.748 10.659 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.985 -5.624 12.207 1.00 0.00 H new ATOM 529 N LEU A 33 -1.968 -7.828 10.820 1.00 0.00 N ATOM 530 CA LEU A 33 -0.631 -8.352 10.478 1.00 0.00 C ATOM 531 C LEU A 33 -0.717 -9.573 9.544 1.00 0.00 C ATOM 532 O LEU A 33 0.305 -10.029 9.052 1.00 0.00 O ATOM 533 CB LEU A 33 0.189 -8.690 11.766 1.00 0.00 C ATOM 534 CG LEU A 33 0.946 -7.499 12.440 1.00 0.00 C ATOM 535 CD1 LEU A 33 2.016 -6.919 11.488 1.00 0.00 C ATOM 536 CD2 LEU A 33 -0.020 -6.400 12.934 1.00 0.00 C ATOM 0 H LEU A 33 -2.210 -7.942 11.804 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.105 -7.565 9.938 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.491 -9.122 12.500 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.918 -9.460 11.515 1.00 0.00 H new ATOM 0 HG LEU A 33 1.452 -7.893 13.321 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.529 -6.092 11.978 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.738 -7.696 11.236 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.537 -6.560 10.577 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.551 -5.594 13.395 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.586 -6.007 12.090 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.707 -6.822 13.667 1.00 0.00 H new ATOM 548 N HIS A 34 -1.925 -10.138 9.369 1.00 0.00 N ATOM 549 CA HIS A 34 -2.191 -11.223 8.400 1.00 0.00 C ATOM 550 C HIS A 34 -3.125 -10.752 7.260 1.00 0.00 C ATOM 551 O HIS A 34 -3.874 -11.545 6.671 1.00 0.00 O ATOM 552 CB HIS A 34 -2.698 -12.465 9.163 1.00 0.00 C ATOM 553 CG HIS A 34 -1.639 -13.001 10.091 1.00 0.00 C ATOM 554 ND1 HIS A 34 -1.271 -12.353 11.256 1.00 0.00 N ATOM 555 CD2 HIS A 34 -0.788 -14.041 9.967 1.00 0.00 C ATOM 556 CE1 HIS A 34 -0.246 -12.966 11.799 1.00 0.00 C ATOM 557 NE2 HIS A 34 0.066 -13.994 11.041 1.00 0.00 N ATOM 0 H HIS A 34 -2.750 -9.855 9.897 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.269 -11.509 7.894 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -3.589 -12.206 9.734 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.989 -13.239 8.452 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -1.728 -11.524 11.636 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.780 -14.773 9.173 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.255 -12.676 12.711 1.00 0.00 H new ATOM 566 N GLY A 35 -3.078 -9.433 6.985 1.00 0.00 N ATOM 567 CA GLY A 35 -3.677 -8.845 5.777 1.00 0.00 C ATOM 568 C GLY A 35 -5.141 -8.460 5.915 1.00 0.00 C ATOM 569 O GLY A 35 -5.713 -7.854 4.996 1.00 0.00 O ATOM 0 H GLY A 35 -2.625 -8.751 7.593 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.107 -7.958 5.501 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.578 -9.556 4.957 1.00 0.00 H new ATOM 573 N GLY A 36 -5.744 -8.811 7.055 1.00 0.00 N ATOM 574 CA GLY A 36 -7.160 -8.554 7.312 1.00 0.00 C ATOM 575 C GLY A 36 -7.461 -7.128 7.724 1.00 0.00 C ATOM 576 O GLY A 36 -6.585 -6.414 8.226 1.00 0.00 O ATOM 0 H GLY A 36 -5.263 -9.280 7.823 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.731 -8.790 6.414 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.505 -9.229 8.096 1.00 0.00 H new ATOM 580 N LYS A 37 -8.717 -6.714 7.506 1.00 0.00 N ATOM 581 CA LYS A 37 -9.218 -5.389 7.931 1.00 0.00 C ATOM 582 C LYS A 37 -10.191 -5.580 9.094 1.00 0.00 C ATOM 583 O LYS A 37 -10.584 -6.719 9.392 1.00 0.00 O ATOM 584 CB LYS A 37 -9.899 -4.652 6.739 1.00 0.00 C ATOM 585 CG LYS A 37 -9.007 -4.530 5.483 1.00 0.00 C ATOM 586 CD LYS A 37 -7.658 -3.815 5.759 1.00 0.00 C ATOM 587 CE LYS A 37 -6.708 -3.862 4.548 1.00 0.00 C ATOM 588 NZ LYS A 37 -7.246 -3.128 3.373 1.00 0.00 N ATOM 0 H LYS A 37 -9.417 -7.284 7.031 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.385 -4.768 8.261 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.814 -5.182 6.472 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.192 -3.653 7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.809 -5.526 5.088 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.549 -3.983 4.712 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.849 -2.776 6.027 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.172 -4.281 6.616 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.745 -3.435 4.829 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.528 -4.901 4.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.570 -3.190 2.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.152 -3.550 3.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.393 -2.130 3.625 1.00 0.00 H new ATOM 602 N PHE A 38 -10.587 -4.477 9.753 1.00 0.00 N ATOM 603 CA PHE A 38 -11.485 -4.549 10.917 1.00 0.00 C ATOM 604 C PHE A 38 -12.465 -3.369 10.984 1.00 0.00 C ATOM 605 O PHE A 38 -12.173 -2.264 10.518 1.00 0.00 O ATOM 606 CB PHE A 38 -10.677 -4.665 12.244 1.00 0.00 C ATOM 607 CG PHE A 38 -9.846 -3.434 12.627 1.00 0.00 C ATOM 608 CD1 PHE A 38 -8.580 -3.232 12.088 1.00 0.00 C ATOM 609 CD2 PHE A 38 -10.326 -2.489 13.544 1.00 0.00 C ATOM 610 CE1 PHE A 38 -7.822 -2.128 12.436 1.00 0.00 C ATOM 611 CE2 PHE A 38 -9.566 -1.383 13.890 1.00 0.00 C ATOM 612 CZ PHE A 38 -8.313 -1.208 13.337 1.00 0.00 C ATOM 0 H PHE A 38 -10.301 -3.531 9.501 1.00 0.00 H new ATOM 0 HA PHE A 38 -12.081 -5.452 10.790 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -11.374 -4.876 13.055 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -10.008 -5.522 12.167 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -8.182 -3.949 11.386 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.302 -2.625 13.987 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.844 -1.987 12.001 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -9.953 -0.659 14.591 1.00 0.00 H new ATOM 0 HZ PHE A 38 -7.717 -0.350 13.611 1.00 0.00 H new ATOM 622 N LEU A 39 -13.639 -3.647 11.586 1.00 0.00 N ATOM 623 CA LEU A 39 -14.636 -2.636 11.967 1.00 0.00 C ATOM 624 C LEU A 39 -14.627 -2.489 13.494 1.00 0.00 C ATOM 625 O LEU A 39 -14.704 -3.488 14.224 1.00 0.00 O ATOM 626 CB LEU A 39 -16.071 -3.002 11.445 1.00 0.00 C ATOM 627 CG LEU A 39 -16.483 -2.400 10.060 1.00 0.00 C ATOM 628 CD1 LEU A 39 -16.495 -0.856 10.099 1.00 0.00 C ATOM 629 CD2 LEU A 39 -15.600 -2.932 8.913 1.00 0.00 C ATOM 0 H LEU A 39 -13.922 -4.598 11.823 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.371 -1.686 11.502 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -16.145 -4.088 11.381 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -16.798 -2.677 12.189 1.00 0.00 H new ATOM 0 HG LEU A 39 -17.501 -2.732 9.856 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -16.785 -0.470 9.122 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -17.208 -0.517 10.850 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -15.500 -0.491 10.353 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -15.921 -2.488 7.971 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.560 -2.668 9.102 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.694 -4.016 8.854 1.00 0.00 H new ATOM 641 N HIS A 40 -14.483 -1.233 13.951 1.00 0.00 N ATOM 642 CA HIS A 40 -14.617 -0.857 15.370 1.00 0.00 C ATOM 643 C HIS A 40 -16.067 -1.051 15.861 1.00 0.00 C ATOM 644 O HIS A 40 -16.294 -1.400 17.023 1.00 0.00 O ATOM 645 CB HIS A 40 -14.112 0.599 15.619 1.00 0.00 C ATOM 646 CG HIS A 40 -14.690 1.696 14.734 1.00 0.00 C ATOM 647 ND1 HIS A 40 -15.448 1.665 13.601 1.00 0.00 N flip ATOM 648 CD2 HIS A 40 -14.452 3.034 14.973 1.00 0.00 C flip ATOM 649 CE1 HIS A 40 -15.630 2.959 13.191 1.00 0.00 C flip ATOM 650 NE2 HIS A 40 -15.014 3.761 14.031 1.00 0.00 N flip ATOM 0 H HIS A 40 -14.269 -0.444 13.341 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.983 -1.523 15.955 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -14.322 0.857 16.657 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -13.028 0.606 15.502 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -13.889 3.426 15.807 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -16.188 3.270 12.320 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -14.978 4.778 13.964 1.00 0.00 H new ATOM 659 N TYR A 41 -17.025 -0.811 14.945 1.00 0.00 N ATOM 660 CA TYR A 41 -18.459 -1.062 15.151 1.00 0.00 C ATOM 661 C TYR A 41 -19.200 -0.835 13.830 1.00 0.00 C ATOM 662 O TYR A 41 -18.748 -0.057 12.975 1.00 0.00 O ATOM 663 CB TYR A 41 -19.080 -0.184 16.287 1.00 0.00 C ATOM 664 CG TYR A 41 -19.020 1.344 16.078 1.00 0.00 C ATOM 665 CD1 TYR A 41 -17.860 2.064 16.381 1.00 0.00 C ATOM 666 CD2 TYR A 41 -20.119 2.067 15.596 1.00 0.00 C ATOM 667 CE1 TYR A 41 -17.794 3.431 16.210 1.00 0.00 C ATOM 668 CE2 TYR A 41 -20.052 3.440 15.429 1.00 0.00 C ATOM 669 CZ TYR A 41 -18.888 4.114 15.737 1.00 0.00 C ATOM 670 OH TYR A 41 -18.814 5.480 15.568 1.00 0.00 O ATOM 0 H TYR A 41 -16.816 -0.429 14.023 1.00 0.00 H new ATOM 0 HA TYR A 41 -18.570 -2.097 15.476 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -20.124 -0.472 16.411 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -18.571 -0.422 17.221 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -16.996 1.537 16.758 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -21.032 1.545 15.351 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -16.885 3.963 16.447 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -20.909 3.982 15.058 1.00 0.00 H new ATOM 0 HH TYR A 41 -19.669 5.814 15.225 1.00 0.00 H new ATOM 743 N LYS A 46 -24.212 -3.422 7.059 1.00 0.00 N ATOM 744 CA LYS A 46 -23.578 -4.601 6.419 1.00 0.00 C ATOM 745 C LYS A 46 -22.319 -4.178 5.645 1.00 0.00 C ATOM 746 O LYS A 46 -22.335 -4.054 4.411 1.00 0.00 O ATOM 747 CB LYS A 46 -24.600 -5.354 5.519 1.00 0.00 C ATOM 748 CG LYS A 46 -25.849 -5.860 6.284 1.00 0.00 C ATOM 749 CD LYS A 46 -26.892 -6.548 5.376 1.00 0.00 C ATOM 750 CE LYS A 46 -27.479 -5.598 4.317 1.00 0.00 C ATOM 751 NZ LYS A 46 -28.488 -6.268 3.465 1.00 0.00 N ATOM 0 HA LYS A 46 -23.262 -5.299 7.194 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -24.921 -4.691 4.716 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -24.102 -6.204 5.052 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -25.533 -6.561 7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -26.320 -5.018 6.791 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -26.428 -7.399 4.877 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -27.700 -6.942 5.992 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -27.935 -4.741 4.813 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -26.674 -5.213 3.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -28.857 -5.592 2.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -28.048 -7.070 2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -29.269 -6.613 4.058 1.00 0.00 H new ATOM 765 N THR A 47 -21.242 -3.895 6.401 1.00 0.00 N ATOM 766 CA THR A 47 -19.925 -3.527 5.846 1.00 0.00 C ATOM 767 C THR A 47 -18.917 -4.678 6.039 1.00 0.00 C ATOM 768 O THR A 47 -18.068 -4.924 5.176 1.00 0.00 O ATOM 769 CB THR A 47 -19.383 -2.218 6.515 1.00 0.00 C ATOM 770 OG1 THR A 47 -20.383 -1.184 6.450 1.00 0.00 O ATOM 771 CG2 THR A 47 -18.083 -1.712 5.852 1.00 0.00 C ATOM 0 H THR A 47 -21.261 -3.915 7.421 1.00 0.00 H new ATOM 0 HA THR A 47 -20.048 -3.343 4.779 1.00 0.00 H new ATOM 0 HB THR A 47 -19.154 -2.460 7.553 1.00 0.00 H new ATOM 0 HG1 THR A 47 -20.039 -0.369 6.871 1.00 0.00 H new ATOM 0 HG21 THR A 47 -17.749 -0.803 6.353 1.00 0.00 H new ATOM 0 HG22 THR A 47 -17.311 -2.477 5.935 1.00 0.00 H new ATOM 0 HG23 THR A 47 -18.270 -1.499 4.800 1.00 0.00 H new ATOM 779 N VAL A 48 -19.027 -5.380 7.181 1.00 0.00 N ATOM 780 CA VAL A 48 -18.106 -6.475 7.546 1.00 0.00 C ATOM 781 C VAL A 48 -18.682 -7.838 7.080 1.00 0.00 C ATOM 782 O VAL A 48 -19.894 -7.956 6.863 1.00 0.00 O ATOM 783 CB VAL A 48 -17.826 -6.460 9.100 1.00 0.00 C ATOM 784 CG1 VAL A 48 -19.020 -6.979 9.926 1.00 0.00 C ATOM 785 CG2 VAL A 48 -16.554 -7.232 9.457 1.00 0.00 C ATOM 0 H VAL A 48 -19.754 -5.206 7.876 1.00 0.00 H new ATOM 0 HA VAL A 48 -17.153 -6.326 7.037 1.00 0.00 H new ATOM 0 HB VAL A 48 -17.678 -5.413 9.365 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -18.771 -6.946 10.987 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -19.892 -6.352 9.739 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -19.243 -8.006 9.638 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -16.398 -7.197 10.535 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -16.657 -8.269 9.139 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -15.700 -6.780 8.952 1.00 0.00 H new ATOM 795 N THR A 49 -17.810 -8.858 6.910 1.00 0.00 N ATOM 796 CA THR A 49 -18.217 -10.192 6.408 1.00 0.00 C ATOM 797 C THR A 49 -18.107 -11.274 7.509 1.00 0.00 C ATOM 798 O THR A 49 -18.897 -12.226 7.530 1.00 0.00 O ATOM 799 CB THR A 49 -17.371 -10.597 5.149 1.00 0.00 C ATOM 800 OG1 THR A 49 -17.836 -11.844 4.613 1.00 0.00 O ATOM 801 CG2 THR A 49 -15.866 -10.703 5.460 1.00 0.00 C ATOM 0 H THR A 49 -16.814 -8.782 7.114 1.00 0.00 H new ATOM 0 HA THR A 49 -19.264 -10.124 6.114 1.00 0.00 H new ATOM 0 HB THR A 49 -17.504 -9.804 4.414 1.00 0.00 H new ATOM 0 HG1 THR A 49 -17.300 -12.083 3.828 1.00 0.00 H new ATOM 0 HG21 THR A 49 -15.327 -10.986 4.556 1.00 0.00 H new ATOM 0 HG22 THR A 49 -15.499 -9.740 5.815 1.00 0.00 H new ATOM 0 HG23 THR A 49 -15.706 -11.458 6.229 1.00 0.00 H new ATOM 809 N HIS A 50 -17.123 -11.120 8.420 1.00 0.00 N ATOM 810 CA HIS A 50 -16.893 -12.050 9.547 1.00 0.00 C ATOM 811 C HIS A 50 -17.028 -11.285 10.861 1.00 0.00 C ATOM 812 O HIS A 50 -16.566 -10.149 10.962 1.00 0.00 O ATOM 813 CB HIS A 50 -15.485 -12.709 9.479 1.00 0.00 C ATOM 814 CG HIS A 50 -15.329 -13.805 8.453 1.00 0.00 C ATOM 815 ND1 HIS A 50 -15.733 -15.107 8.687 1.00 0.00 N ATOM 816 CD2 HIS A 50 -14.779 -13.810 7.211 1.00 0.00 C ATOM 817 CE1 HIS A 50 -15.427 -15.860 7.643 1.00 0.00 C ATOM 818 NE2 HIS A 50 -14.848 -15.099 6.736 1.00 0.00 N ATOM 0 H HIS A 50 -16.462 -10.343 8.395 1.00 0.00 H new ATOM 0 HA HIS A 50 -17.636 -12.845 9.485 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -14.749 -11.932 9.270 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -15.247 -13.118 10.461 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -16.196 -15.436 9.534 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -14.364 -12.959 6.692 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -15.619 -16.919 7.550 1.00 0.00 H new ATOM 827 N ILE A 51 -17.679 -11.899 11.855 1.00 0.00 N ATOM 828 CA ILE A 51 -17.800 -11.340 13.215 1.00 0.00 C ATOM 829 C ILE A 51 -17.265 -12.359 14.221 1.00 0.00 C ATOM 830 O ILE A 51 -17.507 -13.545 14.082 1.00 0.00 O ATOM 831 CB ILE A 51 -19.279 -10.926 13.548 1.00 0.00 C ATOM 832 CG1 ILE A 51 -19.736 -9.777 12.593 1.00 0.00 C ATOM 833 CG2 ILE A 51 -19.456 -10.539 15.047 1.00 0.00 C ATOM 834 CD1 ILE A 51 -21.127 -9.248 12.856 1.00 0.00 C ATOM 0 H ILE A 51 -18.140 -12.802 11.743 1.00 0.00 H new ATOM 0 HA ILE A 51 -17.206 -10.428 13.275 1.00 0.00 H new ATOM 0 HB ILE A 51 -19.921 -11.791 13.381 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.028 -8.953 12.675 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -19.688 -10.137 11.565 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -20.494 -10.260 15.231 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -19.192 -11.389 15.676 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -18.806 -9.697 15.284 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -21.355 -8.454 12.144 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -21.851 -10.055 12.743 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -21.180 -8.852 13.870 1.00 0.00 H new ATOM 846 N VAL A 52 -16.513 -11.884 15.214 1.00 0.00 N ATOM 847 CA VAL A 52 -15.838 -12.725 16.201 1.00 0.00 C ATOM 848 C VAL A 52 -16.441 -12.505 17.590 1.00 0.00 C ATOM 849 O VAL A 52 -16.460 -11.389 18.101 1.00 0.00 O ATOM 850 CB VAL A 52 -14.303 -12.420 16.194 1.00 0.00 C ATOM 851 CG1 VAL A 52 -13.556 -13.108 17.358 1.00 0.00 C ATOM 852 CG2 VAL A 52 -13.703 -12.822 14.835 1.00 0.00 C ATOM 0 H VAL A 52 -16.353 -10.887 15.357 1.00 0.00 H new ATOM 0 HA VAL A 52 -15.981 -13.773 15.939 1.00 0.00 H new ATOM 0 HB VAL A 52 -14.175 -11.348 16.343 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.495 -12.863 17.305 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -13.962 -12.759 18.308 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -13.683 -14.188 17.284 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.634 -12.609 14.832 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.861 -13.888 14.668 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.188 -12.255 14.041 1.00 0.00 H new ATOM 862 N ALA A 53 -16.930 -13.594 18.176 1.00 0.00 N ATOM 863 CA ALA A 53 -17.428 -13.647 19.552 1.00 0.00 C ATOM 864 C ALA A 53 -17.013 -14.995 20.157 1.00 0.00 C ATOM 865 O ALA A 53 -16.719 -15.934 19.415 1.00 0.00 O ATOM 866 CB ALA A 53 -18.956 -13.470 19.568 1.00 0.00 C ATOM 0 H ALA A 53 -16.994 -14.491 17.695 1.00 0.00 H new ATOM 0 HA ALA A 53 -17.002 -12.839 20.147 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -19.316 -13.511 20.596 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -19.215 -12.506 19.131 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -19.421 -14.268 18.989 1.00 0.00 H new ATOM 872 N SER A 54 -16.933 -15.090 21.490 1.00 0.00 N ATOM 873 CA SER A 54 -16.786 -16.397 22.163 1.00 0.00 C ATOM 874 C SER A 54 -18.156 -17.098 22.147 1.00 0.00 C ATOM 875 O SER A 54 -18.258 -18.308 21.920 1.00 0.00 O ATOM 876 CB SER A 54 -16.262 -16.230 23.606 1.00 0.00 C ATOM 877 OG SER A 54 -16.074 -17.484 24.250 1.00 0.00 O ATOM 0 H SER A 54 -16.967 -14.290 22.122 1.00 0.00 H new ATOM 0 HA SER A 54 -16.051 -17.004 21.634 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.318 -15.686 23.589 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.966 -15.629 24.181 1.00 0.00 H new ATOM 0 HG SER A 54 -15.741 -17.338 25.160 1.00 0.00 H new ATOM 883 N ASN A 55 -19.199 -16.281 22.354 1.00 0.00 N ATOM 884 CA ASN A 55 -20.606 -16.682 22.257 1.00 0.00 C ATOM 885 C ASN A 55 -21.415 -15.470 21.759 1.00 0.00 C ATOM 886 O ASN A 55 -21.160 -14.330 22.180 1.00 0.00 O ATOM 887 CB ASN A 55 -21.130 -17.195 23.631 1.00 0.00 C ATOM 888 CG ASN A 55 -21.005 -16.163 24.757 1.00 0.00 C ATOM 889 OD1 ASN A 55 -19.977 -16.086 25.427 1.00 0.00 O ATOM 890 ND2 ASN A 55 -22.045 -15.365 24.972 1.00 0.00 N ATOM 0 H ASN A 55 -19.082 -15.298 22.600 1.00 0.00 H new ATOM 0 HA ASN A 55 -20.716 -17.506 21.552 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -22.176 -17.483 23.527 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -20.578 -18.093 23.909 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -22.005 -14.663 25.711 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -22.884 -15.454 24.398 1.00 0.00 H new ATOM 897 N LEU A 56 -22.361 -15.709 20.842 1.00 0.00 N ATOM 898 CA LEU A 56 -23.187 -14.649 20.236 1.00 0.00 C ATOM 899 C LEU A 56 -24.670 -14.877 20.621 1.00 0.00 C ATOM 900 O LEU A 56 -25.185 -15.972 20.374 1.00 0.00 O ATOM 901 CB LEU A 56 -23.016 -14.657 18.692 1.00 0.00 C ATOM 902 CG LEU A 56 -23.599 -13.415 17.946 1.00 0.00 C ATOM 903 CD1 LEU A 56 -22.735 -12.147 18.183 1.00 0.00 C ATOM 904 CD2 LEU A 56 -23.791 -13.694 16.445 1.00 0.00 C ATOM 0 H LEU A 56 -22.578 -16.644 20.497 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.867 -13.676 20.609 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -21.953 -14.732 18.462 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.492 -15.554 18.296 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.585 -13.219 18.369 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -23.172 -11.304 17.648 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -22.702 -11.923 19.249 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -21.723 -12.323 17.818 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -24.198 -12.807 15.959 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.830 -13.945 15.996 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -24.481 -14.528 16.315 1.00 0.00 H new ATOM 916 N PRO A 57 -25.370 -13.858 21.243 1.00 0.00 N ATOM 917 CA PRO A 57 -26.811 -13.967 21.645 1.00 0.00 C ATOM 918 C PRO A 57 -27.744 -14.245 20.446 1.00 0.00 C ATOM 919 O PRO A 57 -27.401 -13.898 19.322 1.00 0.00 O ATOM 920 CB PRO A 57 -27.120 -12.577 22.284 1.00 0.00 C ATOM 921 CG PRO A 57 -25.777 -12.041 22.680 1.00 0.00 C ATOM 922 CD PRO A 57 -24.819 -12.527 21.617 1.00 0.00 C ATOM 0 HA PRO A 57 -26.980 -14.803 22.323 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -27.618 -11.916 21.575 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -27.779 -12.674 23.147 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -25.788 -10.952 22.730 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -25.485 -12.402 23.666 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -24.788 -11.850 20.763 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -23.801 -12.606 21.998 1.00 0.00 H new ATOM 930 N LEU A 58 -28.931 -14.830 20.719 1.00 0.00 N ATOM 931 CA LEU A 58 -29.897 -15.264 19.679 1.00 0.00 C ATOM 932 C LEU A 58 -30.370 -14.087 18.801 1.00 0.00 C ATOM 933 O LEU A 58 -30.455 -14.226 17.585 1.00 0.00 O ATOM 934 CB LEU A 58 -31.113 -15.976 20.333 1.00 0.00 C ATOM 935 CG LEU A 58 -30.792 -17.309 21.083 1.00 0.00 C ATOM 936 CD1 LEU A 58 -32.054 -17.901 21.746 1.00 0.00 C ATOM 937 CD2 LEU A 58 -30.123 -18.334 20.139 1.00 0.00 C ATOM 0 H LEU A 58 -29.250 -15.016 21.670 1.00 0.00 H new ATOM 0 HA LEU A 58 -29.380 -15.968 19.027 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -31.579 -15.287 21.037 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -31.849 -16.185 19.557 1.00 0.00 H new ATOM 0 HG LEU A 58 -30.083 -17.076 21.877 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -31.795 -18.827 22.259 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -32.455 -17.188 22.466 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -32.804 -18.107 20.982 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -29.912 -19.251 20.689 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -30.793 -18.555 19.308 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -29.192 -17.919 19.753 1.00 0.00 H new ATOM 949 N LYS A 59 -30.646 -12.931 19.443 1.00 0.00 N ATOM 950 CA LYS A 59 -31.031 -11.673 18.748 1.00 0.00 C ATOM 951 C LYS A 59 -29.938 -11.257 17.740 1.00 0.00 C ATOM 952 O LYS A 59 -30.234 -10.852 16.610 1.00 0.00 O ATOM 953 CB LYS A 59 -31.280 -10.540 19.795 1.00 0.00 C ATOM 954 CG LYS A 59 -31.577 -9.128 19.218 1.00 0.00 C ATOM 955 CD LYS A 59 -32.818 -9.083 18.291 1.00 0.00 C ATOM 956 CE LYS A 59 -33.109 -7.664 17.761 1.00 0.00 C ATOM 957 NZ LYS A 59 -31.976 -7.113 16.964 1.00 0.00 N ATOM 0 H LYS A 59 -30.609 -12.839 20.458 1.00 0.00 H new ATOM 0 HA LYS A 59 -31.954 -11.843 18.194 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -32.117 -10.835 20.427 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -30.404 -10.470 20.439 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -31.725 -8.432 20.043 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -30.706 -8.782 18.662 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -32.663 -9.757 17.449 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -33.688 -9.449 18.836 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -34.007 -7.686 17.144 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -33.316 -7.001 18.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -32.262 -6.211 16.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -31.158 -6.954 17.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -31.716 -7.788 16.217 1.00 0.00 H new ATOM 971 N LYS A 60 -28.673 -11.395 18.167 1.00 0.00 N ATOM 972 CA LYS A 60 -27.504 -11.052 17.339 1.00 0.00 C ATOM 973 C LYS A 60 -27.218 -12.162 16.308 1.00 0.00 C ATOM 974 O LYS A 60 -26.590 -11.895 15.308 1.00 0.00 O ATOM 975 CB LYS A 60 -26.249 -10.777 18.220 1.00 0.00 C ATOM 976 CG LYS A 60 -26.220 -9.402 18.937 1.00 0.00 C ATOM 977 CD LYS A 60 -27.304 -9.249 20.031 1.00 0.00 C ATOM 978 CE LYS A 60 -27.267 -7.868 20.705 1.00 0.00 C ATOM 979 NZ LYS A 60 -25.972 -7.619 21.394 1.00 0.00 N ATOM 0 H LYS A 60 -28.431 -11.747 19.093 1.00 0.00 H new ATOM 0 HA LYS A 60 -27.737 -10.135 16.797 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -26.178 -11.561 18.974 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -25.362 -10.858 17.592 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -25.238 -9.258 19.388 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -26.350 -8.613 18.196 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -28.287 -9.408 19.589 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -27.165 -10.023 20.786 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -27.434 -7.094 19.956 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -28.081 -7.794 21.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -26.036 -6.740 21.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -25.759 -8.414 22.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -25.214 -7.529 20.687 1.00 0.00 H new ATOM 993 N ARG A 61 -27.663 -13.408 16.567 1.00 0.00 N ATOM 994 CA ARG A 61 -27.572 -14.512 15.573 1.00 0.00 C ATOM 995 C ARG A 61 -28.559 -14.282 14.414 1.00 0.00 C ATOM 996 O ARG A 61 -28.279 -14.657 13.280 1.00 0.00 O ATOM 997 CB ARG A 61 -27.848 -15.902 16.207 1.00 0.00 C ATOM 998 CG ARG A 61 -26.798 -16.389 17.232 1.00 0.00 C ATOM 999 CD ARG A 61 -27.145 -17.795 17.754 1.00 0.00 C ATOM 1000 NE ARG A 61 -26.243 -18.290 18.803 1.00 0.00 N ATOM 1001 CZ ARG A 61 -26.339 -19.504 19.375 1.00 0.00 C ATOM 1002 NH1 ARG A 61 -27.323 -20.336 19.046 1.00 0.00 N ATOM 1003 NH2 ARG A 61 -25.460 -19.863 20.293 1.00 0.00 N ATOM 0 H ARG A 61 -28.089 -13.681 17.453 1.00 0.00 H new ATOM 0 HA ARG A 61 -26.549 -14.507 15.197 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -28.821 -15.871 16.697 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -27.918 -16.639 15.407 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -25.812 -16.403 16.768 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -26.748 -15.690 18.067 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -28.164 -17.785 18.142 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -27.130 -18.494 16.918 1.00 0.00 H new ATOM 0 HE ARG A 61 -25.495 -17.673 19.118 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -28.017 -20.057 18.352 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -27.384 -21.254 19.487 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -24.715 -19.221 20.564 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -25.526 -20.782 20.731 1.00 0.00 H new ATOM 1017 N ILE A 62 -29.723 -13.682 14.732 1.00 0.00 N ATOM 1018 CA ILE A 62 -30.775 -13.362 13.740 1.00 0.00 C ATOM 1019 C ILE A 62 -30.338 -12.165 12.877 1.00 0.00 C ATOM 1020 O ILE A 62 -30.475 -12.181 11.645 1.00 0.00 O ATOM 1021 CB ILE A 62 -32.146 -13.042 14.456 1.00 0.00 C ATOM 1022 CG1 ILE A 62 -32.629 -14.269 15.302 1.00 0.00 C ATOM 1023 CG2 ILE A 62 -33.229 -12.604 13.432 1.00 0.00 C ATOM 1024 CD1 ILE A 62 -33.815 -13.997 16.224 1.00 0.00 C ATOM 0 H ILE A 62 -29.963 -13.404 15.684 1.00 0.00 H new ATOM 0 HA ILE A 62 -30.919 -14.232 13.100 1.00 0.00 H new ATOM 0 HB ILE A 62 -31.983 -12.206 15.136 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -32.897 -15.077 14.621 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -31.794 -14.625 15.906 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -34.161 -12.391 13.956 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -32.894 -11.708 12.909 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -33.393 -13.405 12.711 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -34.072 -14.908 16.765 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -33.551 -13.215 16.936 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -34.670 -13.674 15.631 1.00 0.00 H new ATOM 1036 N GLU A 63 -29.812 -11.129 13.551 1.00 0.00 N ATOM 1037 CA GLU A 63 -29.296 -9.922 12.890 1.00 0.00 C ATOM 1038 C GLU A 63 -28.073 -10.277 12.021 1.00 0.00 C ATOM 1039 O GLU A 63 -28.030 -9.980 10.825 1.00 0.00 O ATOM 1040 CB GLU A 63 -28.934 -8.848 13.951 1.00 0.00 C ATOM 1041 CG GLU A 63 -28.411 -7.518 13.365 1.00 0.00 C ATOM 1042 CD GLU A 63 -28.227 -6.427 14.431 1.00 0.00 C ATOM 1043 OE1 GLU A 63 -27.370 -6.597 15.325 1.00 0.00 O ATOM 1044 OE2 GLU A 63 -28.964 -5.414 14.404 1.00 0.00 O ATOM 0 H GLU A 63 -29.733 -11.106 14.568 1.00 0.00 H new ATOM 0 HA GLU A 63 -30.068 -9.511 12.239 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -29.817 -8.641 14.556 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -28.178 -9.258 14.620 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -27.458 -7.696 12.866 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -29.107 -7.163 12.605 1.00 0.00 H new ATOM 1051 N PHE A 64 -27.117 -10.981 12.632 1.00 0.00 N ATOM 1052 CA PHE A 64 -25.847 -11.349 11.988 1.00 0.00 C ATOM 1053 C PHE A 64 -25.934 -12.742 11.321 1.00 0.00 C ATOM 1054 O PHE A 64 -24.910 -13.407 11.140 1.00 0.00 O ATOM 1055 CB PHE A 64 -24.671 -11.279 13.006 1.00 0.00 C ATOM 1056 CG PHE A 64 -24.496 -9.928 13.720 1.00 0.00 C ATOM 1057 CD1 PHE A 64 -24.673 -8.718 13.043 1.00 0.00 C ATOM 1058 CD2 PHE A 64 -24.122 -9.869 15.069 1.00 0.00 C ATOM 1059 CE1 PHE A 64 -24.482 -7.504 13.684 1.00 0.00 C ATOM 1060 CE2 PHE A 64 -23.936 -8.652 15.710 1.00 0.00 C ATOM 1061 CZ PHE A 64 -24.118 -7.472 15.018 1.00 0.00 C ATOM 0 H PHE A 64 -27.200 -11.315 13.592 1.00 0.00 H new ATOM 0 HA PHE A 64 -25.650 -10.625 11.198 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -24.819 -12.053 13.760 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -23.745 -11.517 12.482 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -24.963 -8.729 12.003 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -23.976 -10.786 15.620 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -24.618 -6.581 13.140 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -23.649 -8.629 16.751 1.00 0.00 H new ATOM 0 HZ PHE A 64 -23.976 -6.525 15.517 1.00 0.00 H new ATOM 1071 N ALA A 65 -27.162 -13.152 10.929 1.00 0.00 N ATOM 1072 CA ALA A 65 -27.400 -14.394 10.161 1.00 0.00 C ATOM 1073 C ALA A 65 -26.709 -14.343 8.778 1.00 0.00 C ATOM 1074 O ALA A 65 -26.313 -15.372 8.237 1.00 0.00 O ATOM 1075 CB ALA A 65 -28.908 -14.640 9.998 1.00 0.00 C ATOM 0 H ALA A 65 -28.014 -12.631 11.136 1.00 0.00 H new ATOM 0 HA ALA A 65 -26.965 -15.222 10.720 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -29.068 -15.557 9.431 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -29.369 -14.736 10.981 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -29.358 -13.802 9.466 1.00 0.00 H new ATOM 1081 N ASN A 66 -26.575 -13.125 8.224 1.00 0.00 N ATOM 1082 CA ASN A 66 -25.908 -12.895 6.924 1.00 0.00 C ATOM 1083 C ASN A 66 -24.374 -12.949 7.071 1.00 0.00 C ATOM 1084 O ASN A 66 -23.655 -13.254 6.109 1.00 0.00 O ATOM 1085 CB ASN A 66 -26.332 -11.520 6.353 1.00 0.00 C ATOM 1086 CG ASN A 66 -27.846 -11.398 6.173 1.00 0.00 C ATOM 1087 OD1 ASN A 66 -28.557 -10.963 7.077 1.00 0.00 O ATOM 1088 ND2 ASN A 66 -28.350 -11.796 5.014 1.00 0.00 N ATOM 0 H ASN A 66 -26.924 -12.272 8.661 1.00 0.00 H new ATOM 0 HA ASN A 66 -26.214 -13.685 6.238 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -25.985 -10.731 7.020 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -25.842 -11.363 5.392 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -29.356 -11.746 4.851 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -27.732 -12.152 4.285 1.00 0.00 H new ATOM 1095 N TYR A 67 -23.894 -12.648 8.287 1.00 0.00 N ATOM 1096 CA TYR A 67 -22.460 -12.583 8.606 1.00 0.00 C ATOM 1097 C TYR A 67 -21.969 -13.965 9.058 1.00 0.00 C ATOM 1098 O TYR A 67 -22.706 -14.723 9.705 1.00 0.00 O ATOM 1099 CB TYR A 67 -22.196 -11.563 9.736 1.00 0.00 C ATOM 1100 CG TYR A 67 -22.711 -10.135 9.478 1.00 0.00 C ATOM 1101 CD1 TYR A 67 -24.074 -9.854 9.458 1.00 0.00 C ATOM 1102 CD2 TYR A 67 -21.839 -9.054 9.323 1.00 0.00 C ATOM 1103 CE1 TYR A 67 -24.548 -8.573 9.286 1.00 0.00 C ATOM 1104 CE2 TYR A 67 -22.317 -7.769 9.167 1.00 0.00 C ATOM 1105 CZ TYR A 67 -23.664 -7.536 9.152 1.00 0.00 C ATOM 1106 OH TYR A 67 -24.125 -6.256 9.020 1.00 0.00 O ATOM 0 H TYR A 67 -24.496 -12.441 9.084 1.00 0.00 H new ATOM 0 HA TYR A 67 -21.924 -12.268 7.711 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -22.655 -11.936 10.652 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -21.122 -11.516 9.915 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -24.779 -10.663 9.581 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -20.773 -9.227 9.325 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -25.611 -8.387 9.257 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -21.626 -6.946 9.057 1.00 0.00 H new ATOM 0 HH TYR A 67 -23.473 -5.632 9.402 1.00 0.00 H new ATOM 1116 N LYS A 68 -20.718 -14.277 8.716 1.00 0.00 N ATOM 1117 CA LYS A 68 -20.061 -15.521 9.117 1.00 0.00 C ATOM 1118 C LYS A 68 -19.415 -15.308 10.490 1.00 0.00 C ATOM 1119 O LYS A 68 -18.250 -14.887 10.609 1.00 0.00 O ATOM 1120 CB LYS A 68 -19.038 -15.978 8.032 1.00 0.00 C ATOM 1121 CG LYS A 68 -19.674 -16.594 6.752 1.00 0.00 C ATOM 1122 CD LYS A 68 -20.645 -15.644 6.002 1.00 0.00 C ATOM 1123 CE LYS A 68 -21.411 -16.342 4.866 1.00 0.00 C ATOM 1124 NZ LYS A 68 -22.450 -15.453 4.278 1.00 0.00 N ATOM 0 H LYS A 68 -20.128 -13.668 8.149 1.00 0.00 H new ATOM 0 HA LYS A 68 -20.789 -16.328 9.202 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -18.430 -15.121 7.742 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -18.364 -16.711 8.475 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -18.877 -16.891 6.071 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -20.212 -17.501 7.028 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -21.359 -15.229 6.713 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -20.081 -14.807 5.591 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -20.711 -16.648 4.089 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -21.881 -17.249 5.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -23.255 -16.027 3.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -22.775 -14.776 4.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -22.047 -14.934 3.471 1.00 0.00 H new ATOM 1138 N VAL A 69 -20.234 -15.533 11.526 1.00 0.00 N ATOM 1139 CA VAL A 69 -19.837 -15.358 12.919 1.00 0.00 C ATOM 1140 C VAL A 69 -19.067 -16.608 13.394 1.00 0.00 C ATOM 1141 O VAL A 69 -19.487 -17.737 13.132 1.00 0.00 O ATOM 1142 CB VAL A 69 -21.085 -15.029 13.833 1.00 0.00 C ATOM 1143 CG1 VAL A 69 -21.818 -13.763 13.313 1.00 0.00 C ATOM 1144 CG2 VAL A 69 -22.077 -16.211 13.938 1.00 0.00 C ATOM 0 H VAL A 69 -21.199 -15.844 11.414 1.00 0.00 H new ATOM 0 HA VAL A 69 -19.169 -14.500 13.001 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.700 -14.843 14.836 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -22.674 -13.550 13.953 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -21.134 -12.915 13.328 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -22.161 -13.934 12.293 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -22.913 -15.928 14.577 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -22.449 -16.464 12.945 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -21.569 -17.075 14.366 1.00 0.00 H new ATOM 1154 N VAL A 70 -17.901 -16.387 14.025 1.00 0.00 N ATOM 1155 CA VAL A 70 -16.959 -17.445 14.442 1.00 0.00 C ATOM 1156 C VAL A 70 -16.392 -17.129 15.842 1.00 0.00 C ATOM 1157 O VAL A 70 -16.660 -16.063 16.410 1.00 0.00 O ATOM 1158 CB VAL A 70 -15.749 -17.603 13.425 1.00 0.00 C ATOM 1159 CG1 VAL A 70 -16.226 -18.034 12.015 1.00 0.00 C ATOM 1160 CG2 VAL A 70 -14.905 -16.302 13.353 1.00 0.00 C ATOM 0 H VAL A 70 -17.579 -15.450 14.265 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.518 -18.380 14.460 1.00 0.00 H new ATOM 0 HB VAL A 70 -15.113 -18.401 13.807 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -15.365 -18.130 11.353 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -16.740 -18.993 12.082 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -16.908 -17.283 11.617 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -14.084 -16.439 12.649 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -15.535 -15.478 13.019 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -14.503 -16.074 14.340 1.00 0.00 H new ATOM 1170 N SER A 71 -15.612 -18.079 16.378 1.00 0.00 N ATOM 1171 CA SER A 71 -14.852 -17.906 17.625 1.00 0.00 C ATOM 1172 C SER A 71 -13.512 -17.175 17.349 1.00 0.00 C ATOM 1173 O SER A 71 -13.017 -17.201 16.212 1.00 0.00 O ATOM 1174 CB SER A 71 -14.597 -19.295 18.262 1.00 0.00 C ATOM 1175 OG SER A 71 -15.813 -19.974 18.534 1.00 0.00 O ATOM 0 H SER A 71 -15.490 -18.998 15.954 1.00 0.00 H new ATOM 0 HA SER A 71 -15.429 -17.294 18.318 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.985 -19.897 17.591 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.032 -19.174 19.186 1.00 0.00 H new ATOM 0 HG SER A 71 -16.239 -20.233 17.690 1.00 0.00 H new ATOM 1181 N PRO A 72 -12.890 -16.503 18.389 1.00 0.00 N ATOM 1182 CA PRO A 72 -11.520 -15.916 18.266 1.00 0.00 C ATOM 1183 C PRO A 72 -10.459 -16.993 17.955 1.00 0.00 C ATOM 1184 O PRO A 72 -9.409 -16.701 17.381 1.00 0.00 O ATOM 1185 CB PRO A 72 -11.279 -15.261 19.658 1.00 0.00 C ATOM 1186 CG PRO A 72 -12.242 -15.947 20.581 1.00 0.00 C ATOM 1187 CD PRO A 72 -13.462 -16.235 19.743 1.00 0.00 C ATOM 0 HA PRO A 72 -11.442 -15.205 17.444 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.249 -15.401 19.987 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.460 -14.187 19.626 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -11.815 -16.866 20.982 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.490 -15.313 21.432 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.018 -17.092 20.122 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -14.150 -15.390 19.729 1.00 0.00 H new ATOM 1195 N ASP A 73 -10.798 -18.237 18.322 1.00 0.00 N ATOM 1196 CA ASP A 73 -9.971 -19.440 18.121 1.00 0.00 C ATOM 1197 C ASP A 73 -9.663 -19.678 16.635 1.00 0.00 C ATOM 1198 O ASP A 73 -8.643 -20.285 16.312 1.00 0.00 O ATOM 1199 CB ASP A 73 -10.707 -20.672 18.707 1.00 0.00 C ATOM 1200 CG ASP A 73 -11.064 -20.520 20.200 1.00 0.00 C ATOM 1201 OD1 ASP A 73 -11.897 -19.644 20.536 1.00 0.00 O ATOM 1202 OD2 ASP A 73 -10.522 -21.270 21.041 1.00 0.00 O ATOM 0 H ASP A 73 -11.685 -18.443 18.782 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.022 -19.289 18.635 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.621 -20.844 18.138 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.081 -21.555 18.579 1.00 0.00 H new ATOM 1207 N TRP A 74 -10.567 -19.203 15.741 1.00 0.00 N ATOM 1208 CA TRP A 74 -10.340 -19.237 14.278 1.00 0.00 C ATOM 1209 C TRP A 74 -9.107 -18.400 13.913 1.00 0.00 C ATOM 1210 O TRP A 74 -8.215 -18.869 13.207 1.00 0.00 O ATOM 1211 CB TRP A 74 -11.587 -18.728 13.498 1.00 0.00 C ATOM 1212 CG TRP A 74 -11.429 -18.752 11.982 1.00 0.00 C ATOM 1213 CD1 TRP A 74 -11.086 -19.830 11.204 1.00 0.00 C ATOM 1214 CD2 TRP A 74 -11.610 -17.657 11.068 1.00 0.00 C ATOM 1215 NE1 TRP A 74 -11.037 -19.464 9.886 1.00 0.00 N ATOM 1216 CE2 TRP A 74 -11.352 -18.143 9.777 1.00 0.00 C ATOM 1217 CE3 TRP A 74 -11.953 -16.309 11.223 1.00 0.00 C ATOM 1218 CZ2 TRP A 74 -11.438 -17.335 8.647 1.00 0.00 C ATOM 1219 CZ3 TRP A 74 -12.043 -15.506 10.101 1.00 0.00 C ATOM 1220 CH2 TRP A 74 -11.787 -16.022 8.826 1.00 0.00 C ATOM 0 H TRP A 74 -11.461 -18.792 16.011 1.00 0.00 H new ATOM 0 HA TRP A 74 -10.165 -20.274 13.990 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -12.447 -19.339 13.772 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -11.807 -17.708 13.813 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -10.884 -20.823 11.578 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -10.802 -20.082 9.109 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -12.145 -15.902 12.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -11.236 -17.730 7.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -12.315 -14.466 10.210 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -11.866 -15.373 7.966 1.00 0.00 H new ATOM 1231 N ILE A 75 -9.068 -17.172 14.449 1.00 0.00 N ATOM 1232 CA ILE A 75 -8.015 -16.187 14.145 1.00 0.00 C ATOM 1233 C ILE A 75 -6.680 -16.686 14.720 1.00 0.00 C ATOM 1234 O ILE A 75 -5.680 -16.765 14.009 1.00 0.00 O ATOM 1235 CB ILE A 75 -8.352 -14.742 14.712 1.00 0.00 C ATOM 1236 CG1 ILE A 75 -9.622 -14.121 14.027 1.00 0.00 C ATOM 1237 CG2 ILE A 75 -7.142 -13.778 14.570 1.00 0.00 C ATOM 1238 CD1 ILE A 75 -10.935 -14.793 14.363 1.00 0.00 C ATOM 0 H ILE A 75 -9.768 -16.831 15.108 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.948 -16.091 13.061 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.571 -14.869 15.772 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.689 -13.070 14.309 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.483 -14.153 12.946 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.408 -12.799 14.968 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.292 -14.176 15.125 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.875 -13.682 13.518 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.747 -14.288 13.839 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -10.899 -15.838 14.054 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -11.107 -14.738 15.438 1.00 0.00 H new ATOM 1250 N VAL A 76 -6.738 -17.081 15.998 1.00 0.00 N ATOM 1251 CA VAL A 76 -5.580 -17.540 16.780 1.00 0.00 C ATOM 1252 C VAL A 76 -4.899 -18.752 16.115 1.00 0.00 C ATOM 1253 O VAL A 76 -3.700 -18.713 15.824 1.00 0.00 O ATOM 1254 CB VAL A 76 -6.044 -17.896 18.248 1.00 0.00 C ATOM 1255 CG1 VAL A 76 -4.916 -18.552 19.085 1.00 0.00 C ATOM 1256 CG2 VAL A 76 -6.595 -16.632 18.949 1.00 0.00 C ATOM 0 H VAL A 76 -7.609 -17.091 16.529 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.845 -16.736 16.819 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.840 -18.637 18.171 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.288 -18.776 20.085 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.594 -19.475 18.602 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.071 -17.867 19.157 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.913 -16.886 19.960 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.815 -15.872 18.994 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.446 -16.246 18.388 1.00 0.00 H new ATOM 1266 N ASP A 77 -5.705 -19.786 15.811 1.00 0.00 N ATOM 1267 CA ASP A 77 -5.188 -21.079 15.313 1.00 0.00 C ATOM 1268 C ASP A 77 -4.674 -20.951 13.868 1.00 0.00 C ATOM 1269 O ASP A 77 -3.671 -21.569 13.513 1.00 0.00 O ATOM 1270 CB ASP A 77 -6.255 -22.210 15.448 1.00 0.00 C ATOM 1271 CG ASP A 77 -5.633 -23.624 15.536 1.00 0.00 C ATOM 1272 OD1 ASP A 77 -4.765 -23.835 16.414 1.00 0.00 O ATOM 1273 OD2 ASP A 77 -6.015 -24.527 14.758 1.00 0.00 O ATOM 0 H ASP A 77 -6.720 -19.753 15.901 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.341 -21.361 15.938 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.857 -22.029 16.338 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.930 -22.169 14.593 1.00 0.00 H new ATOM 1278 N SER A 78 -5.361 -20.121 13.055 1.00 0.00 N ATOM 1279 CA SER A 78 -4.954 -19.839 11.660 1.00 0.00 C ATOM 1280 C SER A 78 -3.609 -19.074 11.610 1.00 0.00 C ATOM 1281 O SER A 78 -2.765 -19.365 10.763 1.00 0.00 O ATOM 1282 CB SER A 78 -6.050 -19.036 10.919 1.00 0.00 C ATOM 1283 OG SER A 78 -7.242 -19.792 10.750 1.00 0.00 O ATOM 0 H SER A 78 -6.207 -19.630 13.343 1.00 0.00 H new ATOM 0 HA SER A 78 -4.821 -20.797 11.158 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.273 -18.127 11.477 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.676 -18.727 9.943 1.00 0.00 H new ATOM 0 HG SER A 78 -7.841 -19.632 11.509 1.00 0.00 H new ATOM 1289 N VAL A 79 -3.428 -18.104 12.537 1.00 0.00 N ATOM 1290 CA VAL A 79 -2.184 -17.304 12.654 1.00 0.00 C ATOM 1291 C VAL A 79 -0.994 -18.198 13.054 1.00 0.00 C ATOM 1292 O VAL A 79 0.098 -18.096 12.465 1.00 0.00 O ATOM 1293 CB VAL A 79 -2.373 -16.108 13.676 1.00 0.00 C ATOM 1294 CG1 VAL A 79 -1.027 -15.498 14.146 1.00 0.00 C ATOM 1295 CG2 VAL A 79 -3.274 -15.007 13.059 1.00 0.00 C ATOM 0 H VAL A 79 -4.139 -17.854 13.224 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.964 -16.873 11.677 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.858 -16.524 14.559 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.221 -14.684 14.844 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.432 -16.266 14.640 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.481 -15.115 13.284 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.394 -14.193 13.773 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.811 -14.626 12.149 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.251 -15.428 12.821 1.00 0.00 H new ATOM 1305 N LYS A 80 -1.228 -19.094 14.031 1.00 0.00 N ATOM 1306 CA LYS A 80 -0.201 -20.043 14.508 1.00 0.00 C ATOM 1307 C LYS A 80 0.182 -21.035 13.394 1.00 0.00 C ATOM 1308 O LYS A 80 1.346 -21.406 13.263 1.00 0.00 O ATOM 1309 CB LYS A 80 -0.697 -20.813 15.758 1.00 0.00 C ATOM 1310 CG LYS A 80 -0.974 -19.937 17.004 1.00 0.00 C ATOM 1311 CD LYS A 80 -1.418 -20.776 18.229 1.00 0.00 C ATOM 1312 CE LYS A 80 -2.679 -21.613 17.948 1.00 0.00 C ATOM 1313 NZ LYS A 80 -3.096 -22.432 19.106 1.00 0.00 N ATOM 0 H LYS A 80 -2.125 -19.182 14.509 1.00 0.00 H new ATOM 0 HA LYS A 80 0.683 -19.468 14.784 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.611 -21.346 15.498 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.047 -21.565 16.020 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.074 -19.376 17.258 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.748 -19.207 16.767 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.605 -21.439 18.525 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.608 -20.110 19.071 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.495 -20.948 17.667 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.493 -22.266 17.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.949 -22.973 18.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.331 -23.089 19.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.302 -21.811 19.914 1.00 0.00 H new ATOM 1327 N GLU A 81 -0.815 -21.437 12.589 1.00 0.00 N ATOM 1328 CA GLU A 81 -0.628 -22.386 11.471 1.00 0.00 C ATOM 1329 C GLU A 81 -0.193 -21.701 10.163 1.00 0.00 C ATOM 1330 O GLU A 81 0.125 -22.400 9.189 1.00 0.00 O ATOM 1331 CB GLU A 81 -1.928 -23.212 11.251 1.00 0.00 C ATOM 1332 CG GLU A 81 -2.111 -24.379 12.242 1.00 0.00 C ATOM 1333 CD GLU A 81 -0.938 -25.371 12.178 1.00 0.00 C ATOM 1334 OE1 GLU A 81 -0.788 -26.058 11.144 1.00 0.00 O ATOM 1335 OE2 GLU A 81 -0.141 -25.449 13.142 1.00 0.00 O ATOM 0 H GLU A 81 -1.777 -21.114 12.693 1.00 0.00 H new ATOM 0 HA GLU A 81 0.187 -23.053 11.753 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.787 -22.545 11.330 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.925 -23.609 10.236 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.200 -23.986 13.255 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.042 -24.902 12.021 1.00 0.00 H new ATOM 1342 N ALA A 82 -0.218 -20.348 10.149 1.00 0.00 N ATOM 1343 CA ALA A 82 0.171 -19.507 8.988 1.00 0.00 C ATOM 1344 C ALA A 82 -0.698 -19.781 7.729 1.00 0.00 C ATOM 1345 O ALA A 82 -0.335 -19.379 6.614 1.00 0.00 O ATOM 1346 CB ALA A 82 1.683 -19.655 8.684 1.00 0.00 C ATOM 0 H ALA A 82 -0.514 -19.799 10.956 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.021 -18.471 9.266 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.945 -19.030 7.830 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.261 -19.342 9.554 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.908 -20.697 8.454 1.00 0.00 H new ATOM 1352 N ARG A 83 -1.878 -20.393 7.932 1.00 0.00 N ATOM 1353 CA ARG A 83 -2.753 -20.860 6.838 1.00 0.00 C ATOM 1354 C ARG A 83 -4.203 -20.447 7.116 1.00 0.00 C ATOM 1355 O ARG A 83 -4.547 -20.125 8.253 1.00 0.00 O ATOM 1356 CB ARG A 83 -2.650 -22.415 6.703 1.00 0.00 C ATOM 1357 CG ARG A 83 -3.392 -23.210 7.806 1.00 0.00 C ATOM 1358 CD ARG A 83 -3.127 -24.727 7.747 1.00 0.00 C ATOM 1359 NE ARG A 83 -1.773 -25.076 8.227 1.00 0.00 N ATOM 1360 CZ ARG A 83 -0.968 -25.998 7.688 1.00 0.00 C ATOM 1361 NH1 ARG A 83 -1.299 -26.620 6.558 1.00 0.00 N ATOM 1362 NH2 ARG A 83 0.180 -26.283 8.283 1.00 0.00 N ATOM 0 H ARG A 83 -2.254 -20.579 8.862 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.431 -20.403 5.902 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.048 -22.709 5.732 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.598 -22.698 6.715 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.088 -22.833 8.783 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.463 -23.032 7.714 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.870 -25.248 8.351 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.248 -25.076 6.721 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.422 -24.570 9.040 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.177 -26.396 6.091 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.674 -27.321 6.160 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.442 -25.801 9.143 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.802 -26.984 7.881 1.00 0.00 H new ATOM 1376 N LEU A 84 -5.048 -20.457 6.071 1.00 0.00 N ATOM 1377 CA LEU A 84 -6.494 -20.242 6.221 1.00 0.00 C ATOM 1378 C LEU A 84 -7.168 -21.573 6.592 1.00 0.00 C ATOM 1379 O LEU A 84 -7.156 -22.525 5.803 1.00 0.00 O ATOM 1380 CB LEU A 84 -7.112 -19.652 4.921 1.00 0.00 C ATOM 1381 CG LEU A 84 -8.649 -19.342 4.982 1.00 0.00 C ATOM 1382 CD1 LEU A 84 -8.982 -18.334 6.110 1.00 0.00 C ATOM 1383 CD2 LEU A 84 -9.189 -18.852 3.614 1.00 0.00 C ATOM 0 H LEU A 84 -4.750 -20.613 5.108 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.664 -19.518 7.018 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.583 -18.731 4.674 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.933 -20.352 4.105 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.155 -20.278 5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.055 -18.143 6.122 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.676 -18.749 7.071 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.449 -17.400 5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.257 -18.648 3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.667 -17.941 3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.024 -19.622 2.861 1.00 0.00 H new ATOM 1395 N LEU A 85 -7.701 -21.638 7.817 1.00 0.00 N ATOM 1396 CA LEU A 85 -8.488 -22.781 8.298 1.00 0.00 C ATOM 1397 C LEU A 85 -9.971 -22.600 7.911 1.00 0.00 C ATOM 1398 O LEU A 85 -10.419 -21.458 7.719 1.00 0.00 O ATOM 1399 CB LEU A 85 -8.334 -22.906 9.838 1.00 0.00 C ATOM 1400 CG LEU A 85 -6.900 -23.258 10.349 1.00 0.00 C ATOM 1401 CD1 LEU A 85 -6.845 -23.234 11.885 1.00 0.00 C ATOM 1402 CD2 LEU A 85 -6.416 -24.623 9.795 1.00 0.00 C ATOM 0 H LEU A 85 -7.598 -20.895 8.508 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.122 -23.697 7.833 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.641 -21.964 10.293 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.024 -23.671 10.193 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.219 -22.494 9.973 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.837 -23.482 12.217 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.110 -22.239 12.243 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.549 -23.964 12.286 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.415 -24.834 10.172 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.099 -25.409 10.117 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.394 -24.586 8.706 1.00 0.00 H new ATOM 1414 N PRO A 86 -10.758 -23.722 7.775 1.00 0.00 N ATOM 1415 CA PRO A 86 -12.215 -23.639 7.522 1.00 0.00 C ATOM 1416 C PRO A 86 -12.941 -22.931 8.694 1.00 0.00 C ATOM 1417 O PRO A 86 -12.901 -23.409 9.837 1.00 0.00 O ATOM 1418 CB PRO A 86 -12.643 -25.130 7.363 1.00 0.00 C ATOM 1419 CG PRO A 86 -11.585 -25.910 8.086 1.00 0.00 C ATOM 1420 CD PRO A 86 -10.300 -25.147 7.847 1.00 0.00 C ATOM 0 HA PRO A 86 -12.471 -23.047 6.643 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -13.629 -25.307 7.793 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.698 -25.416 6.313 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -11.808 -25.983 9.150 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.516 -26.928 7.704 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.584 -25.300 8.655 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -9.811 -25.460 6.925 1.00 0.00 H new ATOM 1428 N TRP A 87 -13.565 -21.769 8.395 1.00 0.00 N ATOM 1429 CA TRP A 87 -14.290 -20.945 9.396 1.00 0.00 C ATOM 1430 C TRP A 87 -15.446 -21.731 10.052 1.00 0.00 C ATOM 1431 O TRP A 87 -15.806 -21.469 11.200 1.00 0.00 O ATOM 1432 CB TRP A 87 -14.808 -19.621 8.753 1.00 0.00 C ATOM 1433 CG TRP A 87 -15.727 -19.801 7.555 1.00 0.00 C ATOM 1434 CD1 TRP A 87 -15.360 -19.857 6.239 1.00 0.00 C ATOM 1435 CD2 TRP A 87 -17.160 -19.948 7.570 1.00 0.00 C ATOM 1436 NE1 TRP A 87 -16.463 -20.033 5.447 1.00 0.00 N ATOM 1437 CE2 TRP A 87 -17.578 -20.090 6.237 1.00 0.00 C ATOM 1438 CE3 TRP A 87 -18.126 -19.969 8.583 1.00 0.00 C ATOM 1439 CZ2 TRP A 87 -18.916 -20.259 5.887 1.00 0.00 C ATOM 1440 CZ3 TRP A 87 -19.454 -20.141 8.237 1.00 0.00 C ATOM 1441 CH2 TRP A 87 -19.838 -20.280 6.898 1.00 0.00 C ATOM 0 H TRP A 87 -13.582 -21.374 7.455 1.00 0.00 H new ATOM 0 HA TRP A 87 -13.583 -20.688 10.185 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -15.338 -19.049 9.515 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -13.949 -19.024 8.446 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -14.346 -19.774 5.876 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -16.454 -20.109 4.430 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -17.839 -19.853 9.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -19.215 -20.369 4.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -20.206 -20.168 9.012 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -20.883 -20.406 6.658 1.00 0.00 H new ATOM 1452 N GLN A 88 -15.993 -22.706 9.296 1.00 0.00 N ATOM 1453 CA GLN A 88 -17.130 -23.554 9.717 1.00 0.00 C ATOM 1454 C GLN A 88 -16.798 -24.406 10.962 1.00 0.00 C ATOM 1455 O GLN A 88 -17.699 -24.773 11.725 1.00 0.00 O ATOM 1456 CB GLN A 88 -17.571 -24.457 8.533 1.00 0.00 C ATOM 1457 CG GLN A 88 -16.474 -25.398 7.995 1.00 0.00 C ATOM 1458 CD GLN A 88 -16.888 -26.135 6.721 1.00 0.00 C ATOM 1459 OE1 GLN A 88 -16.666 -25.645 5.618 1.00 0.00 O ATOM 1460 NE2 GLN A 88 -17.503 -27.302 6.857 1.00 0.00 N ATOM 0 H GLN A 88 -15.652 -22.930 8.361 1.00 0.00 H new ATOM 0 HA GLN A 88 -17.952 -22.896 10.000 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -18.423 -25.059 8.851 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -17.916 -23.821 7.718 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -15.572 -24.819 7.796 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -16.221 -26.128 8.764 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -17.673 -27.683 7.788 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -17.806 -27.818 6.031 1.00 0.00 H new ATOM 1469 N ASN A 89 -15.494 -24.696 11.160 1.00 0.00 N ATOM 1470 CA ASN A 89 -14.992 -25.457 12.327 1.00 0.00 C ATOM 1471 C ASN A 89 -15.147 -24.635 13.633 1.00 0.00 C ATOM 1472 O ASN A 89 -15.289 -25.198 14.726 1.00 0.00 O ATOM 1473 CB ASN A 89 -13.499 -25.848 12.087 1.00 0.00 C ATOM 1474 CG ASN A 89 -12.867 -26.682 13.217 1.00 0.00 C ATOM 1475 OD1 ASN A 89 -13.553 -27.427 13.918 1.00 0.00 O ATOM 1476 ND2 ASN A 89 -11.553 -26.572 13.390 1.00 0.00 N ATOM 0 H ASN A 89 -14.758 -24.409 10.515 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.584 -26.365 12.441 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -13.429 -26.410 11.155 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -12.915 -24.937 11.955 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.087 -27.113 14.119 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.011 -25.947 12.794 1.00 0.00 H new ATOM 1483 N TYR A 90 -15.139 -23.301 13.496 1.00 0.00 N ATOM 1484 CA TYR A 90 -15.210 -22.357 14.633 1.00 0.00 C ATOM 1485 C TYR A 90 -16.488 -21.497 14.562 1.00 0.00 C ATOM 1486 O TYR A 90 -16.684 -20.607 15.394 1.00 0.00 O ATOM 1487 CB TYR A 90 -13.941 -21.462 14.632 1.00 0.00 C ATOM 1488 CG TYR A 90 -12.624 -22.261 14.677 1.00 0.00 C ATOM 1489 CD1 TYR A 90 -12.134 -22.773 15.880 1.00 0.00 C ATOM 1490 CD2 TYR A 90 -11.881 -22.514 13.517 1.00 0.00 C ATOM 1491 CE1 TYR A 90 -10.963 -23.505 15.926 1.00 0.00 C ATOM 1492 CE2 TYR A 90 -10.704 -23.243 13.561 1.00 0.00 C ATOM 1493 CZ TYR A 90 -10.248 -23.736 14.771 1.00 0.00 C ATOM 1494 OH TYR A 90 -9.083 -24.480 14.820 1.00 0.00 O ATOM 0 H TYR A 90 -15.083 -22.838 12.589 1.00 0.00 H new ATOM 0 HA TYR A 90 -15.252 -22.923 15.563 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -13.947 -20.838 13.739 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -13.979 -20.791 15.490 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -12.682 -22.593 16.793 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -12.233 -22.133 12.570 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.608 -23.896 16.868 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.145 -23.426 12.655 1.00 0.00 H new ATOM 0 HH TYR A 90 -8.310 -23.881 14.759 1.00 0.00 H new ATOM 1504 N SER A 91 -17.363 -21.793 13.583 1.00 0.00 N ATOM 1505 CA SER A 91 -18.536 -20.957 13.271 1.00 0.00 C ATOM 1506 C SER A 91 -19.633 -21.081 14.346 1.00 0.00 C ATOM 1507 O SER A 91 -20.092 -22.184 14.661 1.00 0.00 O ATOM 1508 CB SER A 91 -19.106 -21.329 11.890 1.00 0.00 C ATOM 1509 OG SER A 91 -20.107 -20.413 11.489 1.00 0.00 O ATOM 0 H SER A 91 -17.277 -22.617 12.988 1.00 0.00 H new ATOM 0 HA SER A 91 -18.202 -19.920 13.257 1.00 0.00 H new ATOM 0 HB2 SER A 91 -18.303 -21.341 11.153 1.00 0.00 H new ATOM 0 HB3 SER A 91 -19.522 -22.336 11.924 1.00 0.00 H new ATOM 0 HG SER A 91 -19.979 -19.562 11.958 1.00 0.00 H new ATOM 1515 N LEU A 92 -20.042 -19.924 14.894 1.00 0.00 N ATOM 1516 CA LEU A 92 -21.106 -19.823 15.906 1.00 0.00 C ATOM 1517 C LEU A 92 -22.484 -19.552 15.266 1.00 0.00 C ATOM 1518 O LEU A 92 -23.438 -19.197 15.978 1.00 0.00 O ATOM 1519 CB LEU A 92 -20.754 -18.699 16.907 1.00 0.00 C ATOM 1520 CG LEU A 92 -19.375 -18.821 17.625 1.00 0.00 C ATOM 1521 CD1 LEU A 92 -19.203 -17.690 18.654 1.00 0.00 C ATOM 1522 CD2 LEU A 92 -19.177 -20.217 18.273 1.00 0.00 C ATOM 0 H LEU A 92 -19.638 -19.022 14.643 1.00 0.00 H new ATOM 0 HA LEU A 92 -21.172 -20.778 16.427 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -20.780 -17.747 16.376 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -21.534 -18.662 17.668 1.00 0.00 H new ATOM 0 HG LEU A 92 -18.596 -18.717 16.869 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -18.236 -17.790 19.146 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -19.255 -16.726 18.147 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -19.997 -17.752 19.398 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -18.203 -20.257 18.761 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -19.960 -20.390 19.011 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -19.228 -20.986 17.502 1.00 0.00 H new ATOM 1534 N THR A 93 -22.577 -19.718 13.927 1.00 0.00 N ATOM 1535 CA THR A 93 -23.853 -19.610 13.181 1.00 0.00 C ATOM 1536 C THR A 93 -24.858 -20.683 13.661 1.00 0.00 C ATOM 1537 O THR A 93 -26.075 -20.474 13.584 1.00 0.00 O ATOM 1538 CB THR A 93 -23.618 -19.740 11.640 1.00 0.00 C ATOM 1539 OG1 THR A 93 -22.928 -20.969 11.354 1.00 0.00 O ATOM 1540 CG2 THR A 93 -22.810 -18.553 11.073 1.00 0.00 C ATOM 0 H THR A 93 -21.774 -19.930 13.335 1.00 0.00 H new ATOM 0 HA THR A 93 -24.272 -18.624 13.380 1.00 0.00 H new ATOM 0 HB THR A 93 -24.596 -19.737 11.159 1.00 0.00 H new ATOM 0 HG1 THR A 93 -21.961 -20.817 11.390 1.00 0.00 H new ATOM 0 HG21 THR A 93 -22.672 -18.687 10.000 1.00 0.00 H new ATOM 0 HG22 THR A 93 -23.350 -17.624 11.256 1.00 0.00 H new ATOM 0 HG23 THR A 93 -21.837 -18.509 11.562 1.00 0.00 H new ATOM 1548 N SER A 94 -24.297 -21.819 14.146 1.00 0.00 N ATOM 1549 CA SER A 94 -25.029 -22.900 14.829 1.00 0.00 C ATOM 1550 C SER A 94 -26.013 -23.623 13.861 1.00 0.00 C ATOM 1551 O SER A 94 -25.579 -24.565 13.161 1.00 0.00 O ATOM 1552 CB SER A 94 -25.733 -22.353 16.109 1.00 0.00 C ATOM 1553 OG SER A 94 -24.815 -21.683 16.965 1.00 0.00 O ATOM 1554 OXT SER A 94 -27.198 -23.233 13.785 1.00 0.00 O ATOM 0 H SER A 94 -23.298 -22.007 14.068 1.00 0.00 H new ATOM 0 HA SER A 94 -24.314 -23.657 15.151 1.00 0.00 H new ATOM 0 HB2 SER A 94 -26.530 -21.668 15.822 1.00 0.00 H new ATOM 0 HB3 SER A 94 -26.200 -23.177 16.649 1.00 0.00 H new ATOM 0 HG SER A 94 -24.451 -20.899 16.504 1.00 0.00 H new