USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 749 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 41 TYR OH : rot 92:sc= 0.211 USER MOD Set 1.2: A 63 ASN : amide:sc= -2.01! C(o=-1.8!,f=-1.8!) USER MOD Set 2.1: A 20 THR OG1 : rot 180:sc= -1.78 USER MOD Set 2.2: A 23 SER OG : rot -37:sc= -0.105! USER MOD Single : A 9 SER OG : rot 180:sc= -0.13 USER MOD Single : A 10 THR OG1 : rot 130:sc= 1.02 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 16 GLN : amide:sc= -1.25! X(o=-1.3!,f=-0.87) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0977 USER MOD Single : A 21 MET CE :methyl 171:sc= -0.417 (180deg=-0.717) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0156 X(o=-0.016,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.0823 K(o=-0.082,f=-1.9!) USER MOD Single : A 35 ASN : amide:sc= -0.75 X(o=-0.75,f=-0.43) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= -0.901 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -1.45 X(o=-1.5,f=-1.3) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 54 ASN :FLIP amide:sc= 0.499 F(o=-0.34,f=0.5) USER MOD Single : A 55 SER OG : rot -62:sc= 0.98 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 171:sc= 0 (180deg=-0.0623) USER MOD Single : A 60 SER OG : rot -111:sc= -0.877 USER MOD Single : A 61 GLN : amide:sc= -0.135 K(o=-0.14,f=-2.3!) USER MOD Single : A 62 THR OG1 : rot 170:sc= -0.888! USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -161:sc= -0.0619 (180deg=-0.712) USER MOD Single : A 76 TYR OH : rot 180:sc= 0.143 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 165:sc= 0.22 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 153:sc= -1.2 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 CYS SG : rot 31:sc= 0.0928 USER MOD Single : A 98 GLN : amide:sc=-0.00596 X(o=-0.006,f=0) USER MOD Single : A 99 THR OG1 : rot -138:sc= -0.271 USER MOD Single : A 101 THR OG1 : rot 45:sc= 0.846 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -0.632 -18.493 -4.736 1.00 0.00 N ATOM 60 CA GLY A 7 -0.335 -17.168 -5.248 1.00 0.00 C ATOM 61 C GLY A 7 1.017 -16.659 -4.789 1.00 0.00 C ATOM 62 O GLY A 7 1.736 -17.326 -4.046 1.00 0.00 O ATOM 0 HA2 GLY A 7 -0.361 -17.188 -6.337 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.110 -16.474 -4.923 1.00 0.00 H new ATOM 66 N PRO A 8 1.381 -15.449 -5.239 1.00 0.00 N ATOM 67 CA PRO A 8 2.659 -14.824 -4.884 1.00 0.00 C ATOM 68 C PRO A 8 2.712 -14.404 -3.419 1.00 0.00 C ATOM 69 O PRO A 8 1.817 -13.716 -2.928 1.00 0.00 O ATOM 70 CB PRO A 8 2.719 -13.596 -5.795 1.00 0.00 C ATOM 71 CG PRO A 8 1.295 -13.278 -6.096 1.00 0.00 C ATOM 72 CD PRO A 8 0.574 -14.597 -6.128 1.00 0.00 C ATOM 0 HA PRO A 8 3.497 -15.509 -5.013 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.215 -12.761 -5.301 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.279 -13.806 -6.706 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.873 -12.621 -5.336 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.204 -12.760 -7.051 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.452 -14.503 -5.772 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.525 -15.004 -7.138 1.00 0.00 H new ATOM 80 N SER A 9 3.767 -14.822 -2.726 1.00 0.00 N ATOM 81 CA SER A 9 3.934 -14.491 -1.316 1.00 0.00 C ATOM 82 C SER A 9 3.656 -13.011 -1.068 1.00 0.00 C ATOM 83 O SER A 9 3.722 -12.192 -1.985 1.00 0.00 O ATOM 84 CB SER A 9 5.350 -14.840 -0.853 1.00 0.00 C ATOM 85 OG SER A 9 5.597 -14.344 0.451 1.00 0.00 O ATOM 0 H SER A 9 4.518 -15.390 -3.118 1.00 0.00 H new ATOM 0 HA SER A 9 3.216 -15.078 -0.743 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.484 -15.922 -0.865 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.077 -14.421 -1.549 1.00 0.00 H new ATOM 0 HG SER A 9 6.508 -14.582 0.724 1.00 0.00 H new ATOM 91 N THR A 10 3.343 -12.675 0.180 1.00 0.00 N ATOM 92 CA THR A 10 3.054 -11.296 0.550 1.00 0.00 C ATOM 93 C THR A 10 3.941 -10.838 1.702 1.00 0.00 C ATOM 94 O THR A 10 4.369 -11.644 2.528 1.00 0.00 O ATOM 95 CB THR A 10 1.577 -11.121 0.953 1.00 0.00 C ATOM 96 OG1 THR A 10 1.217 -9.735 0.905 1.00 0.00 O ATOM 97 CG2 THR A 10 1.330 -11.666 2.351 1.00 0.00 C ATOM 0 H THR A 10 3.283 -13.340 0.951 1.00 0.00 H new ATOM 0 HA THR A 10 3.259 -10.683 -0.328 1.00 0.00 H new ATOM 0 HB THR A 10 0.962 -11.680 0.248 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.392 -9.629 0.387 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.281 -11.532 2.614 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.577 -12.727 2.377 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.955 -11.130 3.066 1.00 0.00 H new ATOM 105 N VAL A 11 4.213 -9.538 1.752 1.00 0.00 N ATOM 106 CA VAL A 11 5.049 -8.972 2.805 1.00 0.00 C ATOM 107 C VAL A 11 4.476 -9.277 4.184 1.00 0.00 C ATOM 108 O VAL A 11 3.279 -9.133 4.433 1.00 0.00 O ATOM 109 CB VAL A 11 5.193 -7.446 2.647 1.00 0.00 C ATOM 110 CG1 VAL A 11 6.042 -6.871 3.771 1.00 0.00 C ATOM 111 CG2 VAL A 11 5.789 -7.106 1.289 1.00 0.00 C ATOM 0 H VAL A 11 3.867 -8.857 1.076 1.00 0.00 H new ATOM 0 HA VAL A 11 6.032 -9.434 2.713 1.00 0.00 H new ATOM 0 HB VAL A 11 4.202 -6.996 2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.133 -5.792 3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.569 -7.084 4.730 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.033 -7.324 3.747 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.884 -6.024 1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.773 -7.566 1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.138 -7.484 0.501 1.00 0.00 H new ATOM 121 N PRO A 12 5.350 -9.708 5.105 1.00 0.00 N ATOM 122 CA PRO A 12 4.955 -10.042 6.477 1.00 0.00 C ATOM 123 C PRO A 12 4.564 -8.809 7.284 1.00 0.00 C ATOM 124 O PRO A 12 3.567 -8.819 8.007 1.00 0.00 O ATOM 125 CB PRO A 12 6.214 -10.686 7.062 1.00 0.00 C ATOM 126 CG PRO A 12 7.336 -10.118 6.264 1.00 0.00 C ATOM 127 CD PRO A 12 6.792 -9.903 4.879 1.00 0.00 C ATOM 0 HA PRO A 12 4.078 -10.688 6.502 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.323 -10.452 8.121 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.179 -11.772 6.978 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.686 -9.180 6.696 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.187 -10.799 6.248 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.245 -9.035 4.400 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.985 -10.760 4.234 1.00 0.00 H new ATOM 135 N ILE A 13 5.353 -7.748 7.155 1.00 0.00 N ATOM 136 CA ILE A 13 5.087 -6.507 7.871 1.00 0.00 C ATOM 137 C ILE A 13 5.462 -5.294 7.027 1.00 0.00 C ATOM 138 O ILE A 13 6.246 -5.399 6.085 1.00 0.00 O ATOM 139 CB ILE A 13 5.859 -6.449 9.203 1.00 0.00 C ATOM 140 CG1 ILE A 13 5.403 -5.245 10.030 1.00 0.00 C ATOM 141 CG2 ILE A 13 7.357 -6.384 8.945 1.00 0.00 C ATOM 142 CD1 ILE A 13 5.540 -5.451 11.523 1.00 0.00 C ATOM 0 H ILE A 13 6.182 -7.723 6.561 1.00 0.00 H new ATOM 0 HA ILE A 13 4.017 -6.486 8.079 1.00 0.00 H new ATOM 0 HB ILE A 13 5.646 -7.356 9.769 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.985 -4.371 9.737 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.361 -5.027 9.795 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.889 -6.343 9.896 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.670 -7.270 8.392 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.587 -5.492 8.362 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.199 -4.558 12.046 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.935 -6.305 11.829 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.585 -5.639 11.770 1.00 0.00 H new ATOM 154 N MET A 14 4.897 -4.141 7.373 1.00 0.00 N ATOM 155 CA MET A 14 5.174 -2.907 6.648 1.00 0.00 C ATOM 156 C MET A 14 5.961 -1.931 7.517 1.00 0.00 C ATOM 157 O MET A 14 5.741 -1.845 8.726 1.00 0.00 O ATOM 158 CB MET A 14 3.868 -2.258 6.185 1.00 0.00 C ATOM 159 CG MET A 14 3.417 -2.715 4.808 1.00 0.00 C ATOM 160 SD MET A 14 4.079 -1.686 3.483 1.00 0.00 S ATOM 161 CE MET A 14 2.617 -0.771 3.002 1.00 0.00 C ATOM 0 H MET A 14 4.245 -4.036 8.151 1.00 0.00 H new ATOM 0 HA MET A 14 5.777 -3.155 5.775 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.084 -2.483 6.908 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.993 -1.175 6.177 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.730 -3.747 4.652 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.328 -2.702 4.764 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.866 -0.089 2.189 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.846 -1.466 2.670 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.248 -0.200 3.854 1.00 0.00 H new ATOM 171 N HIS A 15 6.878 -1.197 6.895 1.00 0.00 N ATOM 172 CA HIS A 15 7.697 -0.227 7.612 1.00 0.00 C ATOM 173 C HIS A 15 7.561 1.162 6.995 1.00 0.00 C ATOM 174 O HIS A 15 7.386 1.297 5.784 1.00 0.00 O ATOM 175 CB HIS A 15 9.163 -0.660 7.604 1.00 0.00 C ATOM 176 CG HIS A 15 9.421 -1.917 8.377 1.00 0.00 C ATOM 177 ND1 HIS A 15 9.672 -1.929 9.733 1.00 0.00 N ATOM 178 CD2 HIS A 15 9.463 -3.209 7.977 1.00 0.00 C ATOM 179 CE1 HIS A 15 9.860 -3.174 10.133 1.00 0.00 C ATOM 180 NE2 HIS A 15 9.737 -3.971 9.086 1.00 0.00 N ATOM 0 H HIS A 15 7.072 -1.256 5.895 1.00 0.00 H new ATOM 0 HA HIS A 15 7.345 -0.183 8.643 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.485 -0.805 6.573 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.773 0.143 8.018 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.309 -3.573 6.972 1.00 0.00 H new ATOM 0 HE1 HIS A 15 10.077 -3.487 11.144 1.00 0.00 H new ATOM 0 HE2 HIS A 15 9.830 -4.987 9.099 1.00 0.00 H new ATOM 189 N GLN A 16 7.642 2.188 7.835 1.00 0.00 N ATOM 190 CA GLN A 16 7.526 3.566 7.370 1.00 0.00 C ATOM 191 C GLN A 16 8.870 4.283 7.454 1.00 0.00 C ATOM 192 O GLN A 16 9.629 4.092 8.404 1.00 0.00 O ATOM 193 CB GLN A 16 6.481 4.318 8.195 1.00 0.00 C ATOM 194 CG GLN A 16 6.670 5.826 8.187 1.00 0.00 C ATOM 195 CD GLN A 16 5.368 6.579 8.377 1.00 0.00 C ATOM 196 OE1 GLN A 16 4.676 6.403 9.381 1.00 0.00 O ATOM 197 NE2 GLN A 16 5.026 7.424 7.412 1.00 0.00 N ATOM 0 H GLN A 16 7.787 2.092 8.840 1.00 0.00 H new ATOM 0 HA GLN A 16 7.210 3.546 6.327 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.489 4.083 7.811 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.517 3.961 9.224 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.365 6.105 8.978 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.124 6.126 7.243 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.629 7.539 6.597 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.160 7.958 7.485 1.00 0.00 H new ATOM 206 N VAL A 17 9.157 5.110 6.454 1.00 0.00 N ATOM 207 CA VAL A 17 10.409 5.857 6.415 1.00 0.00 C ATOM 208 C VAL A 17 10.182 7.327 6.747 1.00 0.00 C ATOM 209 O VAL A 17 10.959 7.935 7.483 1.00 0.00 O ATOM 210 CB VAL A 17 11.082 5.752 5.034 1.00 0.00 C ATOM 211 CG1 VAL A 17 12.392 6.525 5.018 1.00 0.00 C ATOM 212 CG2 VAL A 17 11.309 4.294 4.662 1.00 0.00 C ATOM 0 H VAL A 17 8.540 5.280 5.660 1.00 0.00 H new ATOM 0 HA VAL A 17 11.065 5.415 7.165 1.00 0.00 H new ATOM 0 HB VAL A 17 10.418 6.194 4.291 1.00 0.00 H new ATOM 0 HG11 VAL A 17 12.853 6.439 4.034 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.198 7.575 5.237 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.065 6.116 5.771 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.785 4.238 3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 17 11.953 3.825 5.406 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.352 3.773 4.630 1.00 0.00 H new ATOM 222 N SER A 18 9.111 7.893 6.200 1.00 0.00 N ATOM 223 CA SER A 18 8.782 9.294 6.435 1.00 0.00 C ATOM 224 C SER A 18 7.340 9.589 6.036 1.00 0.00 C ATOM 225 O SER A 18 6.589 8.685 5.670 1.00 0.00 O ATOM 226 CB SER A 18 9.735 10.202 5.653 1.00 0.00 C ATOM 227 OG SER A 18 9.765 11.506 6.206 1.00 0.00 O ATOM 0 H SER A 18 8.456 7.403 5.591 1.00 0.00 H new ATOM 0 HA SER A 18 8.893 9.493 7.501 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.738 9.776 5.663 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.421 10.253 4.611 1.00 0.00 H new ATOM 0 HG SER A 18 10.382 12.066 5.690 1.00 0.00 H new ATOM 233 N ALA A 19 6.959 10.860 6.110 1.00 0.00 N ATOM 234 CA ALA A 19 5.608 11.275 5.755 1.00 0.00 C ATOM 235 C ALA A 19 5.469 12.793 5.803 1.00 0.00 C ATOM 236 O ALA A 19 6.103 13.460 6.622 1.00 0.00 O ATOM 237 CB ALA A 19 4.594 10.621 6.683 1.00 0.00 C ATOM 0 H ALA A 19 7.568 11.620 6.413 1.00 0.00 H new ATOM 0 HA ALA A 19 5.412 10.951 4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.589 10.940 6.406 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.668 9.537 6.596 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.798 10.917 7.712 1.00 0.00 H new ATOM 243 N THR A 20 4.636 13.335 4.920 1.00 0.00 N ATOM 244 CA THR A 20 4.416 14.774 4.860 1.00 0.00 C ATOM 245 C THR A 20 3.040 15.143 5.404 1.00 0.00 C ATOM 246 O THR A 20 2.305 14.285 5.892 1.00 0.00 O ATOM 247 CB THR A 20 4.545 15.303 3.419 1.00 0.00 C ATOM 248 OG1 THR A 20 3.317 15.101 2.711 1.00 0.00 O ATOM 249 CG2 THR A 20 5.680 14.604 2.686 1.00 0.00 C ATOM 0 H THR A 20 4.102 12.798 4.236 1.00 0.00 H new ATOM 0 HA THR A 20 5.185 15.237 5.479 1.00 0.00 H new ATOM 0 HB THR A 20 4.766 16.369 3.465 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.407 15.441 1.796 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.752 14.994 1.671 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.618 14.784 3.211 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.484 13.532 2.650 1.00 0.00 H new ATOM 257 N MET A 21 2.698 16.424 5.315 1.00 0.00 N ATOM 258 CA MET A 21 1.409 16.905 5.796 1.00 0.00 C ATOM 259 C MET A 21 0.282 16.466 4.866 1.00 0.00 C ATOM 260 O MET A 21 -0.855 16.280 5.298 1.00 0.00 O ATOM 261 CB MET A 21 1.421 18.430 5.915 1.00 0.00 C ATOM 262 CG MET A 21 1.958 18.931 7.246 1.00 0.00 C ATOM 263 SD MET A 21 1.543 20.659 7.556 1.00 0.00 S ATOM 264 CE MET A 21 -0.229 20.545 7.790 1.00 0.00 C ATOM 0 H MET A 21 3.296 17.147 4.914 1.00 0.00 H new ATOM 0 HA MET A 21 1.234 16.472 6.781 1.00 0.00 H new ATOM 0 HB2 MET A 21 2.026 18.844 5.109 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.407 18.805 5.777 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.556 18.315 8.051 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.041 18.813 7.264 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.611 21.501 8.147 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.706 20.295 6.842 1.00 0.00 H new ATOM 0 HE3 MET A 21 -0.450 19.769 8.523 1.00 0.00 H new ATOM 274 N ARG A 22 0.607 16.301 3.588 1.00 0.00 N ATOM 275 CA ARG A 22 -0.378 15.885 2.597 1.00 0.00 C ATOM 276 C ARG A 22 0.091 14.636 1.855 1.00 0.00 C ATOM 277 O ARG A 22 -0.389 14.334 0.763 1.00 0.00 O ATOM 278 CB ARG A 22 -0.639 17.015 1.599 1.00 0.00 C ATOM 279 CG ARG A 22 -1.214 18.269 2.237 1.00 0.00 C ATOM 280 CD ARG A 22 -1.626 19.289 1.187 1.00 0.00 C ATOM 281 NE ARG A 22 -2.741 20.118 1.637 1.00 0.00 N ATOM 282 CZ ARG A 22 -3.357 21.004 0.863 1.00 0.00 C ATOM 283 NH1 ARG A 22 -2.969 21.175 -0.394 1.00 0.00 N ATOM 284 NH2 ARG A 22 -4.364 21.721 1.344 1.00 0.00 N ATOM 0 H ARG A 22 1.545 16.449 3.215 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.305 15.650 3.120 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.295 17.268 1.097 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.327 16.659 0.832 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.077 18.005 2.848 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.474 18.711 2.905 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.775 19.926 0.947 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.906 18.772 0.269 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.064 20.011 2.598 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.196 20.625 -0.768 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.444 21.856 -0.986 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.666 21.592 2.310 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.836 22.401 0.748 1.00 0.00 H new ATOM 298 N SER A 23 1.031 13.915 2.457 1.00 0.00 N ATOM 299 CA SER A 23 1.568 12.702 1.852 1.00 0.00 C ATOM 300 C SER A 23 2.204 11.803 2.909 1.00 0.00 C ATOM 301 O SER A 23 2.456 12.234 4.035 1.00 0.00 O ATOM 302 CB SER A 23 2.600 13.055 0.779 1.00 0.00 C ATOM 303 OG SER A 23 2.203 14.202 0.049 1.00 0.00 O ATOM 0 H SER A 23 1.436 14.150 3.363 1.00 0.00 H new ATOM 0 HA SER A 23 0.743 12.161 1.388 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.568 13.234 1.246 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.725 12.212 0.099 1.00 0.00 H new ATOM 0 HG SER A 23 1.232 14.187 -0.082 1.00 0.00 H new ATOM 309 N ILE A 24 2.460 10.553 2.538 1.00 0.00 N ATOM 310 CA ILE A 24 3.066 9.594 3.452 1.00 0.00 C ATOM 311 C ILE A 24 3.967 8.616 2.705 1.00 0.00 C ATOM 312 O ILE A 24 3.644 8.175 1.602 1.00 0.00 O ATOM 313 CB ILE A 24 1.997 8.801 4.227 1.00 0.00 C ATOM 314 CG1 ILE A 24 0.960 9.752 4.826 1.00 0.00 C ATOM 315 CG2 ILE A 24 2.647 7.962 5.317 1.00 0.00 C ATOM 316 CD1 ILE A 24 -0.174 9.042 5.532 1.00 0.00 C ATOM 0 H ILE A 24 2.257 10.181 1.610 1.00 0.00 H new ATOM 0 HA ILE A 24 3.665 10.168 4.160 1.00 0.00 H new ATOM 0 HB ILE A 24 1.489 8.130 3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.455 10.419 5.531 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.549 10.376 4.032 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.879 7.407 5.856 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.351 7.262 4.866 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.177 8.614 6.011 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.871 9.778 5.932 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.695 8.396 4.825 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.226 8.440 6.348 1.00 0.00 H new ATOM 328 N THR A 25 5.100 8.279 3.315 1.00 0.00 N ATOM 329 CA THR A 25 6.047 7.353 2.709 1.00 0.00 C ATOM 330 C THR A 25 5.992 5.988 3.385 1.00 0.00 C ATOM 331 O THR A 25 5.705 5.887 4.579 1.00 0.00 O ATOM 332 CB THR A 25 7.488 7.893 2.785 1.00 0.00 C ATOM 333 OG1 THR A 25 7.542 9.222 2.254 1.00 0.00 O ATOM 334 CG2 THR A 25 8.445 6.994 2.016 1.00 0.00 C ATOM 0 H THR A 25 5.383 8.634 4.228 1.00 0.00 H new ATOM 0 HA THR A 25 5.760 7.249 1.663 1.00 0.00 H new ATOM 0 HB THR A 25 7.792 7.908 3.832 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.461 9.559 2.308 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.456 7.396 2.084 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.424 5.991 2.442 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.142 6.950 0.970 1.00 0.00 H new ATOM 342 N LEU A 26 6.268 4.941 2.617 1.00 0.00 N ATOM 343 CA LEU A 26 6.250 3.580 3.143 1.00 0.00 C ATOM 344 C LEU A 26 7.306 2.718 2.458 1.00 0.00 C ATOM 345 O LEU A 26 7.834 3.082 1.408 1.00 0.00 O ATOM 346 CB LEU A 26 4.866 2.957 2.954 1.00 0.00 C ATOM 347 CG LEU A 26 3.681 3.801 3.424 1.00 0.00 C ATOM 348 CD1 LEU A 26 2.375 3.233 2.889 1.00 0.00 C ATOM 349 CD2 LEU A 26 3.648 3.875 4.944 1.00 0.00 C ATOM 0 H LEU A 26 6.507 5.007 1.628 1.00 0.00 H new ATOM 0 HA LEU A 26 6.479 3.625 4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.731 2.735 1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.842 2.005 3.485 1.00 0.00 H new ATOM 0 HG LEU A 26 3.802 4.811 3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.543 3.847 3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.398 3.232 1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.247 2.213 3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.798 4.480 5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.552 2.870 5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.571 4.328 5.306 1.00 0.00 H new ATOM 361 N SER A 27 7.607 1.571 3.059 1.00 0.00 N ATOM 362 CA SER A 27 8.601 0.657 2.508 1.00 0.00 C ATOM 363 C SER A 27 8.422 -0.747 3.078 1.00 0.00 C ATOM 364 O SER A 27 8.264 -0.923 4.286 1.00 0.00 O ATOM 365 CB SER A 27 10.013 1.165 2.807 1.00 0.00 C ATOM 366 OG SER A 27 10.991 0.340 2.198 1.00 0.00 O ATOM 0 H SER A 27 7.177 1.253 3.927 1.00 0.00 H new ATOM 0 HA SER A 27 8.460 0.613 1.428 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.119 2.188 2.445 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.173 1.190 3.885 1.00 0.00 H new ATOM 0 HG SER A 27 11.885 0.687 2.402 1.00 0.00 H new ATOM 372 N TRP A 28 8.448 -1.742 2.199 1.00 0.00 N ATOM 373 CA TRP A 28 8.289 -3.132 2.614 1.00 0.00 C ATOM 374 C TRP A 28 9.337 -4.020 1.953 1.00 0.00 C ATOM 375 O TRP A 28 9.732 -3.808 0.807 1.00 0.00 O ATOM 376 CB TRP A 28 6.886 -3.632 2.265 1.00 0.00 C ATOM 377 CG TRP A 28 6.510 -3.396 0.833 1.00 0.00 C ATOM 378 CD1 TRP A 28 6.539 -4.309 -0.182 1.00 0.00 C ATOM 379 CD2 TRP A 28 6.051 -2.168 0.259 1.00 0.00 C ATOM 380 NE1 TRP A 28 6.125 -3.721 -1.354 1.00 0.00 N ATOM 381 CE2 TRP A 28 5.819 -2.409 -1.110 1.00 0.00 C ATOM 382 CE3 TRP A 28 5.810 -0.889 0.768 1.00 0.00 C ATOM 383 CZ2 TRP A 28 5.361 -1.417 -1.973 1.00 0.00 C ATOM 384 CZ3 TRP A 28 5.355 0.095 -0.090 1.00 0.00 C ATOM 385 CH2 TRP A 28 5.134 -0.174 -1.448 1.00 0.00 C ATOM 0 H TRP A 28 8.577 -1.613 1.195 1.00 0.00 H new ATOM 0 HA TRP A 28 8.427 -3.181 3.694 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.825 -4.699 2.478 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.161 -3.136 2.910 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.842 -5.340 -0.079 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.057 -4.187 -2.259 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.976 -0.673 1.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.191 -1.621 -3.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.167 1.087 0.292 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.777 0.616 -2.093 1.00 0.00 H new ATOM 396 N PRO A 29 9.800 -5.040 2.691 1.00 0.00 N ATOM 397 CA PRO A 29 10.809 -5.982 2.196 1.00 0.00 C ATOM 398 C PRO A 29 10.263 -6.893 1.102 1.00 0.00 C ATOM 399 O PRO A 29 9.068 -7.183 1.063 1.00 0.00 O ATOM 400 CB PRO A 29 11.172 -6.798 3.439 1.00 0.00 C ATOM 401 CG PRO A 29 9.970 -6.711 4.315 1.00 0.00 C ATOM 402 CD PRO A 29 9.374 -5.353 4.066 1.00 0.00 C ATOM 0 HA PRO A 29 11.658 -5.470 1.743 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.399 -7.832 3.181 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.054 -6.392 3.935 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.256 -7.500 4.078 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.242 -6.832 5.364 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.288 -5.368 4.156 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.743 -4.615 4.779 1.00 0.00 H new ATOM 410 N GLN A 30 11.147 -7.340 0.216 1.00 0.00 N ATOM 411 CA GLN A 30 10.753 -8.218 -0.879 1.00 0.00 C ATOM 412 C GLN A 30 10.605 -9.657 -0.396 1.00 0.00 C ATOM 413 O GLN A 30 11.447 -10.184 0.331 1.00 0.00 O ATOM 414 CB GLN A 30 11.781 -8.151 -2.010 1.00 0.00 C ATOM 415 CG GLN A 30 11.379 -8.942 -3.245 1.00 0.00 C ATOM 416 CD GLN A 30 12.551 -9.220 -4.166 1.00 0.00 C ATOM 417 OE1 GLN A 30 12.609 -8.712 -5.286 1.00 0.00 O ATOM 418 NE2 GLN A 30 13.493 -10.030 -3.698 1.00 0.00 N ATOM 0 H GLN A 30 12.140 -7.109 0.235 1.00 0.00 H new ATOM 0 HA GLN A 30 9.788 -7.878 -1.254 1.00 0.00 H new ATOM 0 HB2 GLN A 30 11.933 -7.109 -2.290 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.737 -8.526 -1.644 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.932 -9.887 -2.937 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.614 -8.391 -3.792 1.00 0.00 H new ATOM 0 HE21 GLN A 30 13.404 -10.429 -2.763 1.00 0.00 H new ATOM 0 HE22 GLN A 30 14.305 -10.253 -4.273 1.00 0.00 H new ATOM 427 N PRO A 31 9.508 -10.310 -0.809 1.00 0.00 N ATOM 428 CA PRO A 31 9.223 -11.698 -0.431 1.00 0.00 C ATOM 429 C PRO A 31 10.179 -12.686 -1.090 1.00 0.00 C ATOM 430 O PRO A 31 10.920 -12.330 -2.006 1.00 0.00 O ATOM 431 CB PRO A 31 7.795 -11.917 -0.936 1.00 0.00 C ATOM 432 CG PRO A 31 7.634 -10.943 -2.052 1.00 0.00 C ATOM 433 CD PRO A 31 8.462 -9.745 -1.678 1.00 0.00 C ATOM 0 HA PRO A 31 9.340 -11.861 0.640 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.650 -12.941 -1.280 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.064 -11.739 -0.147 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.971 -11.371 -2.996 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.587 -10.669 -2.183 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.888 -9.261 -2.557 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.869 -8.994 -1.156 1.00 0.00 H new ATOM 441 N GLU A 32 10.157 -13.929 -0.617 1.00 0.00 N ATOM 442 CA GLU A 32 11.023 -14.968 -1.162 1.00 0.00 C ATOM 443 C GLU A 32 10.203 -16.053 -1.853 1.00 0.00 C ATOM 444 O GLU A 32 10.743 -16.880 -2.587 1.00 0.00 O ATOM 445 CB GLU A 32 11.875 -15.586 -0.051 1.00 0.00 C ATOM 446 CG GLU A 32 11.058 -16.256 1.041 1.00 0.00 C ATOM 447 CD GLU A 32 11.914 -17.060 2.000 1.00 0.00 C ATOM 448 OE1 GLU A 32 12.267 -18.209 1.659 1.00 0.00 O ATOM 449 OE2 GLU A 32 12.231 -16.541 3.091 1.00 0.00 O ATOM 0 H GLU A 32 9.550 -14.240 0.141 1.00 0.00 H new ATOM 0 HA GLU A 32 11.679 -14.508 -1.901 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.551 -16.320 -0.489 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.494 -14.808 0.396 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.511 -15.496 1.598 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.317 -16.912 0.584 1.00 0.00 H new ATOM 456 N GLN A 33 8.896 -16.042 -1.612 1.00 0.00 N ATOM 457 CA GLN A 33 8.001 -17.026 -2.210 1.00 0.00 C ATOM 458 C GLN A 33 6.967 -16.349 -3.104 1.00 0.00 C ATOM 459 O GLN A 33 5.764 -16.585 -2.991 1.00 0.00 O ATOM 460 CB GLN A 33 7.298 -17.836 -1.120 1.00 0.00 C ATOM 461 CG GLN A 33 8.163 -18.936 -0.526 1.00 0.00 C ATOM 462 CD GLN A 33 7.345 -20.065 0.068 1.00 0.00 C ATOM 463 OE1 GLN A 33 6.114 -20.040 0.035 1.00 0.00 O ATOM 464 NE2 GLN A 33 8.026 -21.065 0.616 1.00 0.00 N ATOM 0 H GLN A 33 8.433 -15.363 -1.007 1.00 0.00 H new ATOM 0 HA GLN A 33 8.600 -17.699 -2.824 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.984 -17.162 -0.323 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.394 -18.281 -1.536 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.818 -19.335 -1.300 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.804 -18.511 0.247 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.046 -21.045 0.621 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.529 -21.853 1.031 1.00 0.00 H new ATOM 473 N PRO A 34 7.444 -15.486 -4.013 1.00 0.00 N ATOM 474 CA PRO A 34 6.577 -14.757 -4.944 1.00 0.00 C ATOM 475 C PRO A 34 5.955 -15.671 -5.994 1.00 0.00 C ATOM 476 O PRO A 34 5.018 -15.284 -6.690 1.00 0.00 O ATOM 477 CB PRO A 34 7.528 -13.755 -5.603 1.00 0.00 C ATOM 478 CG PRO A 34 8.875 -14.381 -5.492 1.00 0.00 C ATOM 479 CD PRO A 34 8.866 -15.156 -4.203 1.00 0.00 C ATOM 0 HA PRO A 34 5.732 -14.293 -4.435 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.258 -13.579 -6.644 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.497 -12.789 -5.098 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.072 -15.037 -6.340 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.658 -13.623 -5.486 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.481 -16.053 -4.269 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.255 -14.563 -3.375 1.00 0.00 H new ATOM 487 N ASN A 35 6.483 -16.886 -6.101 1.00 0.00 N ATOM 488 CA ASN A 35 5.979 -17.856 -7.067 1.00 0.00 C ATOM 489 C ASN A 35 5.971 -17.268 -8.475 1.00 0.00 C ATOM 490 O ASN A 35 5.079 -17.552 -9.272 1.00 0.00 O ATOM 491 CB ASN A 35 4.568 -18.305 -6.681 1.00 0.00 C ATOM 492 CG ASN A 35 4.561 -19.205 -5.461 1.00 0.00 C ATOM 493 OD1 ASN A 35 4.111 -20.349 -5.523 1.00 0.00 O ATOM 494 ND2 ASN A 35 5.062 -18.691 -4.344 1.00 0.00 N ATOM 0 H ASN A 35 7.259 -17.222 -5.531 1.00 0.00 H new ATOM 0 HA ASN A 35 6.643 -18.720 -7.058 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.951 -17.428 -6.485 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.115 -18.832 -7.521 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.085 -19.250 -3.491 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.424 -17.738 -4.339 1.00 0.00 H new ATOM 501 N GLY A 36 6.973 -16.446 -8.773 1.00 0.00 N ATOM 502 CA GLY A 36 7.063 -15.831 -10.084 1.00 0.00 C ATOM 503 C GLY A 36 7.572 -14.405 -10.022 1.00 0.00 C ATOM 504 O GLY A 36 7.355 -13.704 -9.034 1.00 0.00 O ATOM 0 H GLY A 36 7.724 -16.195 -8.130 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.726 -16.423 -10.715 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.080 -15.842 -10.555 1.00 0.00 H new ATOM 508 N ILE A 37 8.252 -13.975 -11.080 1.00 0.00 N ATOM 509 CA ILE A 37 8.795 -12.623 -11.141 1.00 0.00 C ATOM 510 C ILE A 37 7.718 -11.585 -10.842 1.00 0.00 C ATOM 511 O ILE A 37 6.787 -11.400 -11.626 1.00 0.00 O ATOM 512 CB ILE A 37 9.411 -12.326 -12.520 1.00 0.00 C ATOM 513 CG1 ILE A 37 10.517 -13.334 -12.838 1.00 0.00 C ATOM 514 CG2 ILE A 37 9.953 -10.905 -12.562 1.00 0.00 C ATOM 515 CD1 ILE A 37 10.684 -13.602 -14.317 1.00 0.00 C ATOM 0 H ILE A 37 8.440 -14.543 -11.906 1.00 0.00 H new ATOM 0 HA ILE A 37 9.576 -12.561 -10.383 1.00 0.00 H new ATOM 0 HB ILE A 37 8.633 -12.420 -13.277 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.460 -12.965 -12.435 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.299 -14.273 -12.329 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.386 -10.709 -13.543 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.142 -10.201 -12.376 1.00 0.00 H new ATOM 0 HG23 ILE A 37 10.720 -10.785 -11.797 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.485 -14.326 -14.467 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.754 -14.001 -14.722 1.00 0.00 H new ATOM 0 HD13 ILE A 37 10.934 -12.673 -14.829 1.00 0.00 H new ATOM 527 N ILE A 38 7.853 -10.911 -9.706 1.00 0.00 N ATOM 528 CA ILE A 38 6.894 -9.889 -9.305 1.00 0.00 C ATOM 529 C ILE A 38 6.901 -8.716 -10.280 1.00 0.00 C ATOM 530 O ILE A 38 7.862 -7.948 -10.337 1.00 0.00 O ATOM 531 CB ILE A 38 7.188 -9.365 -7.887 1.00 0.00 C ATOM 532 CG1 ILE A 38 7.037 -10.491 -6.863 1.00 0.00 C ATOM 533 CG2 ILE A 38 6.263 -8.206 -7.548 1.00 0.00 C ATOM 534 CD1 ILE A 38 7.318 -10.056 -5.441 1.00 0.00 C ATOM 0 H ILE A 38 8.618 -11.054 -9.046 1.00 0.00 H new ATOM 0 HA ILE A 38 5.911 -10.359 -9.312 1.00 0.00 H new ATOM 0 HB ILE A 38 8.216 -9.005 -7.855 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.024 -10.889 -6.919 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.714 -11.304 -7.126 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.483 -7.847 -6.543 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.415 -7.398 -8.264 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.227 -8.542 -7.594 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.192 -10.905 -4.769 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.340 -9.685 -5.369 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.624 -9.264 -5.159 1.00 0.00 H new ATOM 546 N LEU A 39 5.823 -8.583 -11.045 1.00 0.00 N ATOM 547 CA LEU A 39 5.702 -7.502 -12.017 1.00 0.00 C ATOM 548 C LEU A 39 5.769 -6.142 -11.330 1.00 0.00 C ATOM 549 O LEU A 39 6.678 -5.351 -11.583 1.00 0.00 O ATOM 550 CB LEU A 39 4.391 -7.631 -12.793 1.00 0.00 C ATOM 551 CG LEU A 39 4.129 -8.988 -13.449 1.00 0.00 C ATOM 552 CD1 LEU A 39 2.643 -9.174 -13.715 1.00 0.00 C ATOM 553 CD2 LEU A 39 4.924 -9.118 -14.740 1.00 0.00 C ATOM 0 H LEU A 39 5.020 -9.211 -11.011 1.00 0.00 H new ATOM 0 HA LEU A 39 6.537 -7.578 -12.713 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.567 -7.413 -12.113 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.375 -6.866 -13.569 1.00 0.00 H new ATOM 0 HG LEU A 39 4.455 -9.771 -12.764 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.476 -10.145 -14.182 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.096 -9.125 -12.774 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.291 -8.386 -14.381 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.726 -10.089 -15.193 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.628 -8.328 -15.430 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.988 -9.030 -14.522 1.00 0.00 H new ATOM 565 N ASP A 40 4.801 -5.878 -10.458 1.00 0.00 N ATOM 566 CA ASP A 40 4.751 -4.614 -9.732 1.00 0.00 C ATOM 567 C ASP A 40 4.119 -4.804 -8.356 1.00 0.00 C ATOM 568 O ASP A 40 3.751 -5.916 -7.978 1.00 0.00 O ATOM 569 CB ASP A 40 3.964 -3.573 -10.529 1.00 0.00 C ATOM 570 CG ASP A 40 4.608 -3.261 -11.866 1.00 0.00 C ATOM 571 OD1 ASP A 40 5.848 -3.119 -11.909 1.00 0.00 O ATOM 572 OD2 ASP A 40 3.871 -3.159 -12.869 1.00 0.00 O ATOM 0 H ASP A 40 4.041 -6.522 -10.237 1.00 0.00 H new ATOM 0 HA ASP A 40 5.773 -4.259 -9.598 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.949 -3.936 -10.693 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.884 -2.656 -9.945 1.00 0.00 H new ATOM 577 N TYR A 41 3.998 -3.710 -7.611 1.00 0.00 N ATOM 578 CA TYR A 41 3.414 -3.756 -6.276 1.00 0.00 C ATOM 579 C TYR A 41 2.300 -2.723 -6.133 1.00 0.00 C ATOM 580 O TYR A 41 2.521 -1.527 -6.317 1.00 0.00 O ATOM 581 CB TYR A 41 4.490 -3.512 -5.217 1.00 0.00 C ATOM 582 CG TYR A 41 5.657 -4.469 -5.308 1.00 0.00 C ATOM 583 CD1 TYR A 41 6.666 -4.278 -6.245 1.00 0.00 C ATOM 584 CD2 TYR A 41 5.751 -5.564 -4.459 1.00 0.00 C ATOM 585 CE1 TYR A 41 7.734 -5.150 -6.332 1.00 0.00 C ATOM 586 CE2 TYR A 41 6.816 -6.441 -4.538 1.00 0.00 C ATOM 587 CZ TYR A 41 7.804 -6.230 -5.476 1.00 0.00 C ATOM 588 OH TYR A 41 8.866 -7.101 -5.559 1.00 0.00 O ATOM 0 H TYR A 41 4.297 -2.781 -7.909 1.00 0.00 H new ATOM 0 HA TYR A 41 2.987 -4.748 -6.128 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.860 -2.491 -5.315 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.040 -3.594 -4.228 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.614 -3.434 -6.916 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.978 -5.733 -3.724 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.510 -4.987 -7.066 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.874 -7.287 -3.869 1.00 0.00 H new ATOM 0 HH TYR A 41 9.574 -6.813 -4.945 1.00 0.00 H new ATOM 598 N GLU A 42 1.102 -3.196 -5.803 1.00 0.00 N ATOM 599 CA GLU A 42 -0.047 -2.314 -5.635 1.00 0.00 C ATOM 600 C GLU A 42 -0.241 -1.948 -4.167 1.00 0.00 C ATOM 601 O GLU A 42 0.018 -2.756 -3.275 1.00 0.00 O ATOM 602 CB GLU A 42 -1.313 -2.981 -6.178 1.00 0.00 C ATOM 603 CG GLU A 42 -2.457 -2.010 -6.416 1.00 0.00 C ATOM 604 CD GLU A 42 -2.438 -1.416 -7.812 1.00 0.00 C ATOM 605 OE1 GLU A 42 -1.850 -2.047 -8.715 1.00 0.00 O ATOM 606 OE2 GLU A 42 -3.010 -0.322 -8.000 1.00 0.00 O ATOM 0 H GLU A 42 0.902 -4.184 -5.647 1.00 0.00 H new ATOM 0 HA GLU A 42 0.143 -1.400 -6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.075 -3.486 -7.114 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.639 -3.749 -5.476 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.405 -2.525 -6.257 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.404 -1.206 -5.682 1.00 0.00 H new ATOM 613 N ILE A 43 -0.699 -0.724 -3.924 1.00 0.00 N ATOM 614 CA ILE A 43 -0.928 -0.250 -2.565 1.00 0.00 C ATOM 615 C ILE A 43 -2.318 0.361 -2.423 1.00 0.00 C ATOM 616 O ILE A 43 -2.615 1.396 -3.020 1.00 0.00 O ATOM 617 CB ILE A 43 0.125 0.793 -2.147 1.00 0.00 C ATOM 618 CG1 ILE A 43 1.513 0.152 -2.083 1.00 0.00 C ATOM 619 CG2 ILE A 43 -0.243 1.408 -0.805 1.00 0.00 C ATOM 620 CD1 ILE A 43 2.237 0.146 -3.411 1.00 0.00 C ATOM 0 H ILE A 43 -0.919 -0.043 -4.651 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.847 -1.118 -1.910 1.00 0.00 H new ATOM 0 HB ILE A 43 0.146 1.586 -2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.118 0.687 -1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.415 -0.874 -1.727 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.511 2.143 -0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.215 1.896 -0.882 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.289 0.626 -0.047 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.214 -0.323 -3.291 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.653 -0.414 -4.141 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.367 1.171 -3.759 1.00 0.00 H new ATOM 632 N ARG A 44 -3.164 -0.284 -1.628 1.00 0.00 N ATOM 633 CA ARG A 44 -4.523 0.196 -1.407 1.00 0.00 C ATOM 634 C ARG A 44 -4.613 0.993 -0.109 1.00 0.00 C ATOM 635 O ARG A 44 -4.254 0.500 0.960 1.00 0.00 O ATOM 636 CB ARG A 44 -5.502 -0.979 -1.366 1.00 0.00 C ATOM 637 CG ARG A 44 -6.936 -0.567 -1.075 1.00 0.00 C ATOM 638 CD ARG A 44 -7.886 -1.749 -1.174 1.00 0.00 C ATOM 639 NE ARG A 44 -7.706 -2.690 -0.072 1.00 0.00 N ATOM 640 CZ ARG A 44 -8.412 -3.808 0.063 1.00 0.00 C ATOM 641 NH1 ARG A 44 -9.339 -4.123 -0.831 1.00 0.00 N ATOM 642 NH2 ARG A 44 -8.190 -4.614 1.093 1.00 0.00 N ATOM 0 H ARG A 44 -2.933 -1.141 -1.126 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.789 0.852 -2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.470 -1.501 -2.322 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.175 -1.687 -0.605 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.996 -0.134 -0.077 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.243 0.208 -1.778 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.914 -1.388 -1.178 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.726 -2.265 -2.121 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.000 -2.478 0.633 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.512 -3.507 -1.625 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.879 -4.982 -0.725 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.477 -4.376 1.782 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.732 -5.472 1.196 1.00 0.00 H new ATOM 656 N TYR A 45 -5.094 2.227 -0.211 1.00 0.00 N ATOM 657 CA TYR A 45 -5.229 3.093 0.954 1.00 0.00 C ATOM 658 C TYR A 45 -6.630 3.693 1.028 1.00 0.00 C ATOM 659 O TYR A 45 -7.236 4.013 0.005 1.00 0.00 O ATOM 660 CB TYR A 45 -4.186 4.211 0.908 1.00 0.00 C ATOM 661 CG TYR A 45 -4.250 5.048 -0.350 1.00 0.00 C ATOM 662 CD1 TYR A 45 -3.698 4.591 -1.540 1.00 0.00 C ATOM 663 CD2 TYR A 45 -4.862 6.295 -0.347 1.00 0.00 C ATOM 664 CE1 TYR A 45 -3.754 5.352 -2.692 1.00 0.00 C ATOM 665 CE2 TYR A 45 -4.924 7.062 -1.494 1.00 0.00 C ATOM 666 CZ TYR A 45 -4.368 6.587 -2.664 1.00 0.00 C ATOM 667 OH TYR A 45 -4.426 7.349 -3.808 1.00 0.00 O ATOM 0 H TYR A 45 -5.397 2.650 -1.088 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.065 2.488 1.845 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.323 4.860 1.773 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.192 3.772 0.992 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.217 3.624 -1.565 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.297 6.671 0.567 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.320 4.982 -3.609 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.405 8.029 -1.475 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.892 8.190 -3.618 1.00 0.00 H new ATOM 677 N TYR A 46 -7.139 3.841 2.247 1.00 0.00 N ATOM 678 CA TYR A 46 -8.469 4.400 2.456 1.00 0.00 C ATOM 679 C TYR A 46 -8.576 5.051 3.832 1.00 0.00 C ATOM 680 O TYR A 46 -7.802 4.742 4.738 1.00 0.00 O ATOM 681 CB TYR A 46 -9.532 3.310 2.311 1.00 0.00 C ATOM 682 CG TYR A 46 -9.400 2.197 3.326 1.00 0.00 C ATOM 683 CD1 TYR A 46 -9.689 2.416 4.668 1.00 0.00 C ATOM 684 CD2 TYR A 46 -8.988 0.927 2.944 1.00 0.00 C ATOM 685 CE1 TYR A 46 -9.570 1.402 5.598 1.00 0.00 C ATOM 686 CE2 TYR A 46 -8.867 -0.093 3.868 1.00 0.00 C ATOM 687 CZ TYR A 46 -9.158 0.149 5.194 1.00 0.00 C ATOM 688 OH TYR A 46 -9.039 -0.863 6.118 1.00 0.00 O ATOM 0 H TYR A 46 -6.651 3.582 3.104 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.637 5.165 1.698 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.519 3.762 2.406 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.471 2.886 1.309 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.012 3.395 4.989 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.758 0.733 1.907 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.798 1.589 6.637 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.546 -1.075 3.553 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.740 -1.682 5.670 1.00 0.00 H new ATOM 698 N GLU A 47 -9.542 5.952 3.980 1.00 0.00 N ATOM 699 CA GLU A 47 -9.751 6.646 5.245 1.00 0.00 C ATOM 700 C GLU A 47 -10.200 5.674 6.332 1.00 0.00 C ATOM 701 O GLU A 47 -11.137 4.899 6.140 1.00 0.00 O ATOM 702 CB GLU A 47 -10.790 7.757 5.078 1.00 0.00 C ATOM 703 CG GLU A 47 -10.291 8.941 4.268 1.00 0.00 C ATOM 704 CD GLU A 47 -10.278 8.665 2.777 1.00 0.00 C ATOM 705 OE1 GLU A 47 -11.133 7.885 2.310 1.00 0.00 O ATOM 706 OE2 GLU A 47 -9.411 9.230 2.077 1.00 0.00 O ATOM 0 H GLU A 47 -10.192 6.218 3.240 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.802 7.089 5.547 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.676 7.345 4.595 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.098 8.106 6.064 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.924 9.806 4.468 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.284 9.201 4.594 1.00 0.00 H new ATOM 713 N LYS A 48 -9.523 5.720 7.475 1.00 0.00 N ATOM 714 CA LYS A 48 -9.850 4.844 8.594 1.00 0.00 C ATOM 715 C LYS A 48 -11.361 4.746 8.784 1.00 0.00 C ATOM 716 O LYS A 48 -11.871 3.727 9.247 1.00 0.00 O ATOM 717 CB LYS A 48 -9.197 5.358 9.878 1.00 0.00 C ATOM 718 CG LYS A 48 -9.163 4.332 10.997 1.00 0.00 C ATOM 719 CD LYS A 48 -8.122 4.683 12.046 1.00 0.00 C ATOM 720 CE LYS A 48 -8.294 3.848 13.305 1.00 0.00 C ATOM 721 NZ LYS A 48 -7.428 4.332 14.415 1.00 0.00 N ATOM 0 H LYS A 48 -8.744 6.355 7.650 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.464 3.850 8.370 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.178 5.674 9.656 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.737 6.240 10.222 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.146 4.270 11.465 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.945 3.348 10.582 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.124 4.524 11.637 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.199 5.741 12.297 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.337 3.876 13.620 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.055 2.807 13.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.575 3.736 15.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.431 4.281 14.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.673 5.317 14.642 1.00 0.00 H new ATOM 735 N GLU A 49 -12.069 5.811 8.421 1.00 0.00 N ATOM 736 CA GLU A 49 -13.521 5.843 8.552 1.00 0.00 C ATOM 737 C GLU A 49 -14.189 5.157 7.363 1.00 0.00 C ATOM 738 O GLU A 49 -15.220 4.500 7.511 1.00 0.00 O ATOM 739 CB GLU A 49 -14.014 7.287 8.664 1.00 0.00 C ATOM 740 CG GLU A 49 -13.437 8.036 9.854 1.00 0.00 C ATOM 741 CD GLU A 49 -13.892 9.481 9.910 1.00 0.00 C ATOM 742 OE1 GLU A 49 -14.977 9.783 9.371 1.00 0.00 O ATOM 743 OE2 GLU A 49 -13.162 10.310 10.493 1.00 0.00 O ATOM 0 H GLU A 49 -11.661 6.662 8.034 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.790 5.304 9.460 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.757 7.822 7.750 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.101 7.286 8.738 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.731 7.531 10.774 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.349 8.003 9.806 1.00 0.00 H new ATOM 750 N HIS A 50 -13.594 5.315 6.185 1.00 0.00 N ATOM 751 CA HIS A 50 -14.131 4.711 4.971 1.00 0.00 C ATOM 752 C HIS A 50 -13.855 3.211 4.942 1.00 0.00 C ATOM 753 O HIS A 50 -13.119 2.689 5.779 1.00 0.00 O ATOM 754 CB HIS A 50 -13.525 5.377 3.735 1.00 0.00 C ATOM 755 CG HIS A 50 -13.941 6.804 3.559 1.00 0.00 C ATOM 756 ND1 HIS A 50 -14.032 7.416 2.326 1.00 0.00 N ATOM 757 CD2 HIS A 50 -14.294 7.742 4.469 1.00 0.00 C ATOM 758 CE1 HIS A 50 -14.420 8.668 2.485 1.00 0.00 C ATOM 759 NE2 HIS A 50 -14.587 8.891 3.776 1.00 0.00 N ATOM 0 H HIS A 50 -12.740 5.856 6.045 1.00 0.00 H new ATOM 0 HA HIS A 50 -15.210 4.864 4.965 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.438 5.330 3.803 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -13.814 4.811 2.849 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -14.337 7.611 5.540 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.574 9.387 1.694 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -14.885 9.774 4.191 1.00 0.00 H new ATOM 768 N ASN A 51 -14.451 2.523 3.974 1.00 0.00 N ATOM 769 CA ASN A 51 -14.271 1.082 3.837 1.00 0.00 C ATOM 770 C ASN A 51 -13.601 0.741 2.510 1.00 0.00 C ATOM 771 O ASN A 51 -13.404 1.611 1.662 1.00 0.00 O ATOM 772 CB ASN A 51 -15.619 0.366 3.939 1.00 0.00 C ATOM 773 CG ASN A 51 -16.253 0.519 5.308 1.00 0.00 C ATOM 774 OD1 ASN A 51 -16.823 1.562 5.628 1.00 0.00 O ATOM 775 ND2 ASN A 51 -16.155 -0.524 6.124 1.00 0.00 N ATOM 0 H ASN A 51 -15.063 2.940 3.273 1.00 0.00 H new ATOM 0 HA ASN A 51 -13.625 0.744 4.647 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -16.296 0.762 3.182 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -15.482 -0.693 3.721 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -16.562 -0.480 7.058 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -15.673 -1.369 5.816 1.00 0.00 H new ATOM 782 N GLU A 52 -13.253 -0.530 2.337 1.00 0.00 N ATOM 783 CA GLU A 52 -12.605 -0.985 1.113 1.00 0.00 C ATOM 784 C GLU A 52 -13.371 -0.508 -0.118 1.00 0.00 C ATOM 785 O GLU A 52 -12.774 -0.094 -1.112 1.00 0.00 O ATOM 786 CB GLU A 52 -12.500 -2.512 1.102 1.00 0.00 C ATOM 787 CG GLU A 52 -11.454 -3.057 2.060 1.00 0.00 C ATOM 788 CD GLU A 52 -11.733 -4.489 2.475 1.00 0.00 C ATOM 789 OE1 GLU A 52 -12.896 -4.794 2.811 1.00 0.00 O ATOM 790 OE2 GLU A 52 -10.787 -5.304 2.463 1.00 0.00 O ATOM 0 H GLU A 52 -13.409 -1.263 3.029 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.602 -0.559 1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -13.471 -2.936 1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.263 -2.844 0.091 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.472 -3.004 1.589 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.416 -2.426 2.948 1.00 0.00 H new ATOM 797 N PHE A 53 -14.696 -0.571 -0.044 1.00 0.00 N ATOM 798 CA PHE A 53 -15.544 -0.147 -1.151 1.00 0.00 C ATOM 799 C PHE A 53 -15.065 1.183 -1.726 1.00 0.00 C ATOM 800 O PHE A 53 -14.706 1.271 -2.899 1.00 0.00 O ATOM 801 CB PHE A 53 -16.998 -0.023 -0.690 1.00 0.00 C ATOM 802 CG PHE A 53 -17.644 -1.343 -0.382 1.00 0.00 C ATOM 803 CD1 PHE A 53 -17.538 -1.904 0.880 1.00 0.00 C ATOM 804 CD2 PHE A 53 -18.359 -2.023 -1.355 1.00 0.00 C ATOM 805 CE1 PHE A 53 -18.131 -3.119 1.166 1.00 0.00 C ATOM 806 CE2 PHE A 53 -18.955 -3.238 -1.075 1.00 0.00 C ATOM 807 CZ PHE A 53 -18.842 -3.786 0.187 1.00 0.00 C ATOM 0 H PHE A 53 -15.206 -0.912 0.771 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.482 -0.904 -1.933 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -17.037 0.607 0.198 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -17.574 0.483 -1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -16.985 -1.386 1.650 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -18.452 -1.598 -2.344 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -18.039 -3.547 2.153 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -19.509 -3.758 -1.843 1.00 0.00 H new ATOM 0 HZ PHE A 53 -19.309 -4.734 0.409 1.00 0.00 H new ATOM 817 N ASN A 54 -15.064 2.215 -0.889 1.00 0.00 N ATOM 818 CA ASN A 54 -14.630 3.542 -1.312 1.00 0.00 C ATOM 819 C ASN A 54 -13.147 3.748 -1.021 1.00 0.00 C ATOM 820 O ASN A 54 -12.758 4.736 -0.399 1.00 0.00 O ATOM 821 CB ASN A 54 -15.455 4.620 -0.607 1.00 0.00 C ATOM 822 CG ASN A 54 -15.396 5.955 -1.324 1.00 0.00 C ATOM 823 OD1 ASN A 54 -16.558 6.477 -1.700 1.00 0.00 O flip ATOM 824 ND2 ASN A 54 -14.318 6.510 -1.537 1.00 0.00 N flip ATOM 0 H ASN A 54 -15.359 2.158 0.086 1.00 0.00 H new ATOM 0 HA ASN A 54 -14.785 3.622 -2.388 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -16.493 4.293 -0.539 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -15.092 4.742 0.413 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.449 6.072 -1.230 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.293 7.408 -2.020 1.00 0.00 H new ATOM 831 N SER A 55 -12.324 2.809 -1.476 1.00 0.00 N ATOM 832 CA SER A 55 -10.883 2.886 -1.261 1.00 0.00 C ATOM 833 C SER A 55 -10.155 3.186 -2.568 1.00 0.00 C ATOM 834 O SER A 55 -10.690 2.966 -3.655 1.00 0.00 O ATOM 835 CB SER A 55 -10.365 1.576 -0.664 1.00 0.00 C ATOM 836 OG SER A 55 -10.456 0.517 -1.601 1.00 0.00 O ATOM 0 H SER A 55 -12.630 1.986 -1.996 1.00 0.00 H new ATOM 0 HA SER A 55 -10.687 3.698 -0.561 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.328 1.700 -0.351 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.940 1.327 0.228 1.00 0.00 H new ATOM 0 HG SER A 55 -11.395 0.375 -1.844 1.00 0.00 H new ATOM 842 N SER A 56 -8.930 3.689 -2.453 1.00 0.00 N ATOM 843 CA SER A 56 -8.128 4.023 -3.624 1.00 0.00 C ATOM 844 C SER A 56 -6.746 3.384 -3.537 1.00 0.00 C ATOM 845 O SER A 56 -6.052 3.517 -2.529 1.00 0.00 O ATOM 846 CB SER A 56 -7.993 5.541 -3.760 1.00 0.00 C ATOM 847 OG SER A 56 -9.253 6.146 -3.992 1.00 0.00 O ATOM 0 H SER A 56 -8.471 3.874 -1.561 1.00 0.00 H new ATOM 0 HA SER A 56 -8.636 3.630 -4.505 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.550 5.953 -2.853 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.316 5.777 -4.581 1.00 0.00 H new ATOM 0 HG SER A 56 -9.140 7.116 -4.074 1.00 0.00 H new ATOM 853 N MET A 57 -6.353 2.690 -4.600 1.00 0.00 N ATOM 854 CA MET A 57 -5.053 2.031 -4.644 1.00 0.00 C ATOM 855 C MET A 57 -4.183 2.617 -5.751 1.00 0.00 C ATOM 856 O MET A 57 -4.680 3.295 -6.650 1.00 0.00 O ATOM 857 CB MET A 57 -5.227 0.526 -4.859 1.00 0.00 C ATOM 858 CG MET A 57 -6.142 0.181 -6.022 1.00 0.00 C ATOM 859 SD MET A 57 -5.825 -1.463 -6.691 1.00 0.00 S ATOM 860 CE MET A 57 -6.307 -2.491 -5.306 1.00 0.00 C ATOM 0 H MET A 57 -6.916 2.569 -5.442 1.00 0.00 H new ATOM 0 HA MET A 57 -4.556 2.199 -3.689 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.249 0.076 -5.031 1.00 0.00 H new ATOM 0 HB3 MET A 57 -5.627 0.081 -3.948 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.179 0.241 -5.693 1.00 0.00 H new ATOM 0 HG3 MET A 57 -6.014 0.921 -6.812 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.321 -3.536 -5.616 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.593 -2.363 -4.492 1.00 0.00 H new ATOM 0 HE3 MET A 57 -7.301 -2.200 -4.966 1.00 0.00 H new ATOM 870 N ALA A 58 -2.883 2.353 -5.679 1.00 0.00 N ATOM 871 CA ALA A 58 -1.945 2.853 -6.677 1.00 0.00 C ATOM 872 C ALA A 58 -0.957 1.769 -7.094 1.00 0.00 C ATOM 873 O ALA A 58 -0.838 0.737 -6.434 1.00 0.00 O ATOM 874 CB ALA A 58 -1.203 4.068 -6.141 1.00 0.00 C ATOM 0 H ALA A 58 -2.455 1.796 -4.940 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.514 3.148 -7.559 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.506 4.431 -6.896 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.919 4.854 -5.900 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.652 3.791 -5.242 1.00 0.00 H new ATOM 880 N ARG A 59 -0.251 2.010 -8.194 1.00 0.00 N ATOM 881 CA ARG A 59 0.725 1.053 -8.700 1.00 0.00 C ATOM 882 C ARG A 59 2.146 1.499 -8.370 1.00 0.00 C ATOM 883 O ARG A 59 2.438 2.695 -8.329 1.00 0.00 O ATOM 884 CB ARG A 59 0.570 0.885 -10.213 1.00 0.00 C ATOM 885 CG ARG A 59 -0.410 -0.207 -10.608 1.00 0.00 C ATOM 886 CD ARG A 59 -0.757 -0.136 -12.087 1.00 0.00 C ATOM 887 NE ARG A 59 0.425 -0.272 -12.934 1.00 0.00 N ATOM 888 CZ ARG A 59 0.383 -0.258 -14.261 1.00 0.00 C ATOM 889 NH1 ARG A 59 -0.775 -0.114 -14.890 1.00 0.00 N ATOM 890 NH2 ARG A 59 1.502 -0.387 -14.963 1.00 0.00 N ATOM 0 H ARG A 59 -0.337 2.860 -8.752 1.00 0.00 H new ATOM 0 HA ARG A 59 0.542 0.095 -8.214 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.240 1.831 -10.643 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.545 0.661 -10.647 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.020 -1.183 -10.380 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.320 -0.113 -10.015 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.470 -0.924 -12.330 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.247 0.814 -12.299 1.00 0.00 H new ATOM 0 HE ARG A 59 1.332 -0.384 -12.481 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.637 -0.014 -14.354 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.804 -0.104 -15.910 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.395 -0.497 -14.483 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.469 -0.376 -15.982 1.00 0.00 H new ATOM 904 N SER A 60 3.026 0.531 -8.135 1.00 0.00 N ATOM 905 CA SER A 60 4.415 0.824 -7.804 1.00 0.00 C ATOM 906 C SER A 60 5.361 -0.117 -8.544 1.00 0.00 C ATOM 907 O SER A 60 5.122 -1.322 -8.616 1.00 0.00 O ATOM 908 CB SER A 60 4.638 0.706 -6.295 1.00 0.00 C ATOM 909 OG SER A 60 5.877 1.280 -5.916 1.00 0.00 O ATOM 0 H SER A 60 2.801 -0.463 -8.168 1.00 0.00 H new ATOM 0 HA SER A 60 4.629 1.846 -8.117 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.826 1.203 -5.764 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.615 -0.344 -6.002 1.00 0.00 H new ATOM 0 HG SER A 60 6.490 0.573 -5.626 1.00 0.00 H new ATOM 915 N GLN A 61 6.434 0.443 -9.093 1.00 0.00 N ATOM 916 CA GLN A 61 7.415 -0.345 -9.828 1.00 0.00 C ATOM 917 C GLN A 61 8.552 -0.790 -8.914 1.00 0.00 C ATOM 918 O GLN A 61 9.627 -1.168 -9.381 1.00 0.00 O ATOM 919 CB GLN A 61 7.974 0.462 -11.001 1.00 0.00 C ATOM 920 CG GLN A 61 6.972 0.675 -12.125 1.00 0.00 C ATOM 921 CD GLN A 61 7.639 0.847 -13.476 1.00 0.00 C ATOM 922 OE1 GLN A 61 8.821 0.546 -13.641 1.00 0.00 O ATOM 923 NE2 GLN A 61 6.881 1.334 -14.452 1.00 0.00 N ATOM 0 H GLN A 61 6.646 1.440 -9.042 1.00 0.00 H new ATOM 0 HA GLN A 61 6.914 -1.233 -10.213 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.310 1.433 -10.636 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.850 -0.050 -11.399 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.291 -0.175 -12.166 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.369 1.556 -11.907 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.905 1.570 -14.271 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.274 1.472 -15.383 1.00 0.00 H new ATOM 932 N THR A 62 8.308 -0.742 -7.608 1.00 0.00 N ATOM 933 CA THR A 62 9.312 -1.138 -6.628 1.00 0.00 C ATOM 934 C THR A 62 8.675 -1.418 -5.272 1.00 0.00 C ATOM 935 O THR A 62 7.469 -1.254 -5.096 1.00 0.00 O ATOM 936 CB THR A 62 10.393 -0.053 -6.461 1.00 0.00 C ATOM 937 OG1 THR A 62 11.229 -0.364 -5.342 1.00 0.00 O ATOM 938 CG2 THR A 62 9.759 1.316 -6.263 1.00 0.00 C ATOM 0 H THR A 62 7.424 -0.433 -7.204 1.00 0.00 H new ATOM 0 HA THR A 62 9.778 -2.049 -7.003 1.00 0.00 H new ATOM 0 HB THR A 62 10.996 -0.028 -7.369 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.005 0.234 -5.337 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.541 2.066 -6.147 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.146 1.562 -7.130 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.135 1.302 -5.370 1.00 0.00 H new ATOM 946 N ASN A 63 9.495 -1.841 -4.315 1.00 0.00 N ATOM 947 CA ASN A 63 9.010 -2.144 -2.973 1.00 0.00 C ATOM 948 C ASN A 63 8.936 -0.880 -2.123 1.00 0.00 C ATOM 949 O ASN A 63 8.983 -0.940 -0.894 1.00 0.00 O ATOM 950 CB ASN A 63 9.922 -3.172 -2.299 1.00 0.00 C ATOM 951 CG ASN A 63 9.478 -4.598 -2.560 1.00 0.00 C ATOM 952 OD1 ASN A 63 9.540 -5.082 -3.691 1.00 0.00 O ATOM 953 ND2 ASN A 63 9.028 -5.279 -1.513 1.00 0.00 N ATOM 0 H ASN A 63 10.497 -1.982 -4.444 1.00 0.00 H new ATOM 0 HA ASN A 63 8.007 -2.560 -3.062 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.942 -3.040 -2.660 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.938 -2.990 -1.224 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.716 -6.243 -1.628 1.00 0.00 H new ATOM 0 HD22 ASN A 63 8.994 -4.838 -0.594 1.00 0.00 H new ATOM 960 N THR A 64 8.817 0.266 -2.787 1.00 0.00 N ATOM 961 CA THR A 64 8.737 1.546 -2.094 1.00 0.00 C ATOM 962 C THR A 64 7.883 2.540 -2.873 1.00 0.00 C ATOM 963 O THR A 64 8.183 2.863 -4.022 1.00 0.00 O ATOM 964 CB THR A 64 10.134 2.152 -1.868 1.00 0.00 C ATOM 965 OG1 THR A 64 10.014 3.492 -1.377 1.00 0.00 O ATOM 966 CG2 THR A 64 10.939 2.151 -3.159 1.00 0.00 C ATOM 0 H THR A 64 8.774 0.334 -3.804 1.00 0.00 H new ATOM 0 HA THR A 64 8.274 1.353 -1.127 1.00 0.00 H new ATOM 0 HB THR A 64 10.656 1.541 -1.131 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.907 3.869 -1.235 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.922 2.584 -2.975 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.054 1.127 -3.515 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.418 2.741 -3.913 1.00 0.00 H new ATOM 974 N ALA A 65 6.819 3.023 -2.240 1.00 0.00 N ATOM 975 CA ALA A 65 5.924 3.983 -2.873 1.00 0.00 C ATOM 976 C ALA A 65 5.416 5.009 -1.865 1.00 0.00 C ATOM 977 O ALA A 65 5.268 4.708 -0.680 1.00 0.00 O ATOM 978 CB ALA A 65 4.756 3.262 -3.529 1.00 0.00 C ATOM 0 H ALA A 65 6.556 2.765 -1.289 1.00 0.00 H new ATOM 0 HA ALA A 65 6.486 4.515 -3.640 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.095 3.991 -3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.132 2.574 -4.286 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.202 2.704 -2.774 1.00 0.00 H new ATOM 984 N ARG A 66 5.152 6.220 -2.342 1.00 0.00 N ATOM 985 CA ARG A 66 4.663 7.291 -1.482 1.00 0.00 C ATOM 986 C ARG A 66 3.270 7.741 -1.912 1.00 0.00 C ATOM 987 O ARG A 66 2.978 7.834 -3.105 1.00 0.00 O ATOM 988 CB ARG A 66 5.626 8.479 -1.512 1.00 0.00 C ATOM 989 CG ARG A 66 4.992 9.788 -1.071 1.00 0.00 C ATOM 990 CD ARG A 66 4.394 10.542 -2.248 1.00 0.00 C ATOM 991 NE ARG A 66 5.422 11.139 -3.096 1.00 0.00 N ATOM 992 CZ ARG A 66 6.202 12.142 -2.708 1.00 0.00 C ATOM 993 NH1 ARG A 66 6.072 12.657 -1.493 1.00 0.00 N ATOM 994 NH2 ARG A 66 7.116 12.632 -3.536 1.00 0.00 N ATOM 0 H ARG A 66 5.268 6.485 -3.320 1.00 0.00 H new ATOM 0 HA ARG A 66 4.604 6.906 -0.464 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.477 8.262 -0.867 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.014 8.596 -2.524 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.215 9.587 -0.334 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.742 10.410 -0.582 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.784 9.861 -2.842 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.730 11.324 -1.878 1.00 0.00 H new ATOM 0 HE ARG A 66 5.548 10.766 -4.037 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.371 12.283 -0.853 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.673 13.427 -1.199 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.220 12.239 -4.471 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.714 13.402 -3.237 1.00 0.00 H new ATOM 1008 N ILE A 67 2.414 8.017 -0.934 1.00 0.00 N ATOM 1009 CA ILE A 67 1.053 8.457 -1.211 1.00 0.00 C ATOM 1010 C ILE A 67 0.920 9.968 -1.051 1.00 0.00 C ATOM 1011 O ILE A 67 1.296 10.529 -0.022 1.00 0.00 O ATOM 1012 CB ILE A 67 0.037 7.763 -0.285 1.00 0.00 C ATOM 1013 CG1 ILE A 67 0.414 6.293 -0.089 1.00 0.00 C ATOM 1014 CG2 ILE A 67 -1.368 7.883 -0.856 1.00 0.00 C ATOM 1015 CD1 ILE A 67 0.097 5.423 -1.285 1.00 0.00 C ATOM 0 H ILE A 67 2.640 7.943 0.058 1.00 0.00 H new ATOM 0 HA ILE A 67 0.837 8.183 -2.244 1.00 0.00 H new ATOM 0 HB ILE A 67 0.057 8.257 0.687 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.480 6.225 0.127 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.113 5.904 0.783 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.075 7.388 -0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.634 8.936 -0.949 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.403 7.412 -1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.391 4.395 -1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.973 5.460 -1.489 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.645 5.786 -2.155 1.00 0.00 H new ATOM 1027 N ASP A 68 0.381 10.620 -2.075 1.00 0.00 N ATOM 1028 CA ASP A 68 0.195 12.066 -2.048 1.00 0.00 C ATOM 1029 C ASP A 68 -1.274 12.429 -2.240 1.00 0.00 C ATOM 1030 O ASP A 68 -1.968 11.835 -3.064 1.00 0.00 O ATOM 1031 CB ASP A 68 1.044 12.732 -3.133 1.00 0.00 C ATOM 1032 CG ASP A 68 0.652 12.288 -4.528 1.00 0.00 C ATOM 1033 OD1 ASP A 68 -0.271 12.898 -5.108 1.00 0.00 O ATOM 1034 OD2 ASP A 68 1.268 11.331 -5.041 1.00 0.00 O ATOM 0 H ASP A 68 0.065 10.170 -2.934 1.00 0.00 H new ATOM 0 HA ASP A 68 0.516 12.430 -1.072 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.942 13.815 -3.057 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.095 12.499 -2.962 1.00 0.00 H new ATOM 1039 N GLY A 69 -1.742 13.409 -1.472 1.00 0.00 N ATOM 1040 CA GLY A 69 -3.126 13.833 -1.572 1.00 0.00 C ATOM 1041 C GLY A 69 -3.954 13.397 -0.380 1.00 0.00 C ATOM 1042 O GLY A 69 -5.016 12.794 -0.540 1.00 0.00 O ATOM 0 H GLY A 69 -1.187 13.916 -0.783 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.165 14.919 -1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.563 13.424 -2.483 1.00 0.00 H new ATOM 1046 N LEU A 70 -3.467 13.699 0.818 1.00 0.00 N ATOM 1047 CA LEU A 70 -4.169 13.332 2.044 1.00 0.00 C ATOM 1048 C LEU A 70 -4.361 14.547 2.946 1.00 0.00 C ATOM 1049 O LEU A 70 -3.862 15.634 2.654 1.00 0.00 O ATOM 1050 CB LEU A 70 -3.395 12.245 2.792 1.00 0.00 C ATOM 1051 CG LEU A 70 -2.900 11.071 1.946 1.00 0.00 C ATOM 1052 CD1 LEU A 70 -1.913 10.224 2.734 1.00 0.00 C ATOM 1053 CD2 LEU A 70 -4.072 10.224 1.471 1.00 0.00 C ATOM 0 H LEU A 70 -2.589 14.197 0.967 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.151 12.947 1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.534 12.707 3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.033 11.853 3.584 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.387 11.470 1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.572 9.394 2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.059 10.836 3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.400 9.835 3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.701 9.393 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.613 9.835 2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.743 10.836 0.868 1.00 0.00 H new ATOM 1065 N ARG A 71 -5.086 14.355 4.043 1.00 0.00 N ATOM 1066 CA ARG A 71 -5.343 15.435 4.988 1.00 0.00 C ATOM 1067 C ARG A 71 -4.404 15.342 6.187 1.00 0.00 C ATOM 1068 O ARG A 71 -3.947 14.264 6.568 1.00 0.00 O ATOM 1069 CB ARG A 71 -6.797 15.392 5.460 1.00 0.00 C ATOM 1070 CG ARG A 71 -7.806 15.624 4.348 1.00 0.00 C ATOM 1071 CD ARG A 71 -8.058 17.107 4.124 1.00 0.00 C ATOM 1072 NE ARG A 71 -8.566 17.380 2.782 1.00 0.00 N ATOM 1073 CZ ARG A 71 -7.843 17.230 1.678 1.00 0.00 C ATOM 1074 NH1 ARG A 71 -6.587 16.812 1.756 1.00 0.00 N ATOM 1075 NH2 ARG A 71 -8.376 17.499 0.493 1.00 0.00 N ATOM 0 H ARG A 71 -5.506 13.461 4.299 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.162 16.382 4.479 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.992 14.423 5.920 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.941 16.147 6.233 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.442 15.172 3.425 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.744 15.128 4.597 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.773 17.469 4.863 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.132 17.660 4.280 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.529 17.704 2.688 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.174 16.605 2.665 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.034 16.698 0.907 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.342 17.821 0.429 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.820 17.384 -0.354 1.00 0.00 H new ATOM 1089 N PRO A 72 -4.108 16.499 6.798 1.00 0.00 N ATOM 1090 CA PRO A 72 -3.222 16.575 7.963 1.00 0.00 C ATOM 1091 C PRO A 72 -3.850 15.964 9.211 1.00 0.00 C ATOM 1092 O PRO A 72 -5.033 16.165 9.484 1.00 0.00 O ATOM 1093 CB PRO A 72 -3.012 18.080 8.152 1.00 0.00 C ATOM 1094 CG PRO A 72 -4.219 18.709 7.546 1.00 0.00 C ATOM 1095 CD PRO A 72 -4.617 17.822 6.399 1.00 0.00 C ATOM 0 HA PRO A 72 -2.298 16.018 7.809 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.919 18.337 9.207 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.100 18.418 7.660 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.025 18.789 8.275 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.001 19.719 7.200 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.698 17.810 6.256 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.175 18.156 5.460 1.00 0.00 H new ATOM 1103 N GLY A 73 -3.050 15.218 9.966 1.00 0.00 N ATOM 1104 CA GLY A 73 -3.546 14.589 11.176 1.00 0.00 C ATOM 1105 C GLY A 73 -4.663 13.602 10.901 1.00 0.00 C ATOM 1106 O GLY A 73 -5.627 13.518 11.661 1.00 0.00 O ATOM 0 H GLY A 73 -2.067 15.038 9.761 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.726 14.074 11.677 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.905 15.358 11.860 1.00 0.00 H new ATOM 1110 N MET A 74 -4.535 12.855 9.810 1.00 0.00 N ATOM 1111 CA MET A 74 -5.542 11.869 9.436 1.00 0.00 C ATOM 1112 C MET A 74 -4.904 10.505 9.193 1.00 0.00 C ATOM 1113 O MET A 74 -3.923 10.389 8.458 1.00 0.00 O ATOM 1114 CB MET A 74 -6.292 12.325 8.183 1.00 0.00 C ATOM 1115 CG MET A 74 -7.389 11.366 7.749 1.00 0.00 C ATOM 1116 SD MET A 74 -8.920 11.596 8.674 1.00 0.00 S ATOM 1117 CE MET A 74 -8.950 10.100 9.657 1.00 0.00 C ATOM 0 H MET A 74 -3.744 12.914 9.169 1.00 0.00 H new ATOM 0 HA MET A 74 -6.249 11.778 10.261 1.00 0.00 H new ATOM 0 HB2 MET A 74 -6.730 13.306 8.369 1.00 0.00 H new ATOM 0 HB3 MET A 74 -5.580 12.443 7.366 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.587 11.504 6.686 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.042 10.341 7.878 1.00 0.00 H new ATOM 0 HE1 MET A 74 -9.963 9.923 10.019 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.630 9.256 9.045 1.00 0.00 H new ATOM 0 HE3 MET A 74 -8.275 10.209 10.506 1.00 0.00 H new ATOM 1127 N VAL A 75 -5.467 9.474 9.815 1.00 0.00 N ATOM 1128 CA VAL A 75 -4.953 8.117 9.665 1.00 0.00 C ATOM 1129 C VAL A 75 -5.430 7.490 8.360 1.00 0.00 C ATOM 1130 O VAL A 75 -6.576 7.679 7.950 1.00 0.00 O ATOM 1131 CB VAL A 75 -5.385 7.220 10.840 1.00 0.00 C ATOM 1132 CG1 VAL A 75 -4.710 5.860 10.750 1.00 0.00 C ATOM 1133 CG2 VAL A 75 -5.070 7.894 12.167 1.00 0.00 C ATOM 0 H VAL A 75 -6.279 9.552 10.427 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.866 8.190 9.654 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.463 7.068 10.782 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.027 5.240 11.589 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.990 5.376 9.814 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.628 5.988 10.782 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.382 7.247 12.987 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.998 8.077 12.237 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.605 8.842 12.230 1.00 0.00 H new ATOM 1143 N TYR A 76 -4.544 6.743 7.710 1.00 0.00 N ATOM 1144 CA TYR A 76 -4.873 6.089 6.450 1.00 0.00 C ATOM 1145 C TYR A 76 -4.409 4.636 6.452 1.00 0.00 C ATOM 1146 O TYR A 76 -3.221 4.351 6.609 1.00 0.00 O ATOM 1147 CB TYR A 76 -4.233 6.838 5.280 1.00 0.00 C ATOM 1148 CG TYR A 76 -4.922 8.142 4.946 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -4.549 9.327 5.568 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -5.946 8.189 4.008 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -5.176 10.520 5.267 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -6.578 9.378 3.699 1.00 0.00 C ATOM 1153 CZ TYR A 76 -6.190 10.541 4.332 1.00 0.00 C ATOM 1154 OH TYR A 76 -6.816 11.728 4.028 1.00 0.00 O ATOM 0 H TYR A 76 -3.592 6.576 8.036 1.00 0.00 H new ATOM 0 HA TYR A 76 -5.957 6.105 6.335 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.188 7.039 5.516 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.243 6.196 4.399 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -3.755 9.315 6.300 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.253 7.280 3.512 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.874 11.432 5.761 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.371 9.397 2.966 1.00 0.00 H new ATOM 0 HH TYR A 76 -7.506 11.570 3.350 1.00 0.00 H new ATOM 1164 N VAL A 77 -5.355 3.719 6.277 1.00 0.00 N ATOM 1165 CA VAL A 77 -5.045 2.294 6.257 1.00 0.00 C ATOM 1166 C VAL A 77 -4.413 1.888 4.931 1.00 0.00 C ATOM 1167 O VAL A 77 -5.112 1.611 3.957 1.00 0.00 O ATOM 1168 CB VAL A 77 -6.306 1.442 6.495 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -5.963 -0.039 6.466 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -6.964 1.820 7.814 1.00 0.00 C ATOM 0 H VAL A 77 -6.343 3.937 6.147 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.336 2.113 7.065 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.015 1.642 5.692 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.866 -0.625 6.636 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.541 -0.296 5.494 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.235 -0.259 7.247 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.853 1.208 7.966 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.263 1.651 8.632 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.247 2.872 7.791 1.00 0.00 H new ATOM 1180 N VAL A 78 -3.084 1.854 4.901 1.00 0.00 N ATOM 1181 CA VAL A 78 -2.356 1.480 3.695 1.00 0.00 C ATOM 1182 C VAL A 78 -1.935 0.015 3.739 1.00 0.00 C ATOM 1183 O VAL A 78 -1.684 -0.536 4.811 1.00 0.00 O ATOM 1184 CB VAL A 78 -1.105 2.357 3.500 1.00 0.00 C ATOM 1185 CG1 VAL A 78 -0.377 1.971 2.221 1.00 0.00 C ATOM 1186 CG2 VAL A 78 -1.485 3.830 3.483 1.00 0.00 C ATOM 0 H VAL A 78 -2.490 2.081 5.699 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.034 1.635 2.855 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.430 2.189 4.339 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.504 2.601 2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.071 0.926 2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.042 2.109 1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.589 4.435 3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.180 4.017 2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.959 4.094 4.428 1.00 0.00 H new ATOM 1196 N GLN A 79 -1.858 -0.608 2.568 1.00 0.00 N ATOM 1197 CA GLN A 79 -1.467 -2.010 2.474 1.00 0.00 C ATOM 1198 C GLN A 79 -0.642 -2.261 1.216 1.00 0.00 C ATOM 1199 O GLN A 79 -0.390 -1.346 0.433 1.00 0.00 O ATOM 1200 CB GLN A 79 -2.705 -2.908 2.474 1.00 0.00 C ATOM 1201 CG GLN A 79 -3.157 -3.321 3.866 1.00 0.00 C ATOM 1202 CD GLN A 79 -4.626 -3.691 3.917 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -5.497 -2.854 3.679 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -4.909 -4.951 4.228 1.00 0.00 N ATOM 0 H GLN A 79 -2.061 -0.165 1.672 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.854 -2.249 3.343 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.522 -2.386 1.976 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.494 -3.803 1.889 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.561 -4.170 4.200 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -2.968 -2.504 4.563 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.155 -5.611 4.418 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.880 -5.258 4.277 1.00 0.00 H new ATOM 1213 N VAL A 80 -0.223 -3.509 1.029 1.00 0.00 N ATOM 1214 CA VAL A 80 0.573 -3.881 -0.134 1.00 0.00 C ATOM 1215 C VAL A 80 0.396 -5.357 -0.472 1.00 0.00 C ATOM 1216 O VAL A 80 0.262 -6.197 0.419 1.00 0.00 O ATOM 1217 CB VAL A 80 2.069 -3.594 0.094 1.00 0.00 C ATOM 1218 CG1 VAL A 80 2.652 -4.570 1.106 1.00 0.00 C ATOM 1219 CG2 VAL A 80 2.831 -3.659 -1.221 1.00 0.00 C ATOM 0 H VAL A 80 -0.422 -4.279 1.668 1.00 0.00 H new ATOM 0 HA VAL A 80 0.217 -3.275 -0.967 1.00 0.00 H new ATOM 0 HB VAL A 80 2.170 -2.586 0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.710 -4.352 1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.124 -4.469 2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.540 -5.589 0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.886 -3.454 -1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.724 -4.653 -1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.430 -2.917 -1.911 1.00 0.00 H new ATOM 1229 N ARG A 81 0.398 -5.668 -1.764 1.00 0.00 N ATOM 1230 CA ARG A 81 0.236 -7.043 -2.220 1.00 0.00 C ATOM 1231 C ARG A 81 1.199 -7.354 -3.362 1.00 0.00 C ATOM 1232 O ARG A 81 1.726 -6.447 -4.007 1.00 0.00 O ATOM 1233 CB ARG A 81 -1.205 -7.287 -2.672 1.00 0.00 C ATOM 1234 CG ARG A 81 -1.637 -6.404 -3.831 1.00 0.00 C ATOM 1235 CD ARG A 81 -2.741 -7.058 -4.648 1.00 0.00 C ATOM 1236 NE ARG A 81 -3.458 -6.090 -5.473 1.00 0.00 N ATOM 1237 CZ ARG A 81 -2.923 -5.483 -6.526 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -1.672 -5.744 -6.882 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -3.640 -4.614 -7.228 1.00 0.00 N ATOM 0 H ARG A 81 0.510 -4.986 -2.514 1.00 0.00 H new ATOM 0 HA ARG A 81 0.464 -7.705 -1.385 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.314 -8.332 -2.962 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.875 -7.119 -1.829 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.985 -5.445 -3.449 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.780 -6.199 -4.473 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.311 -7.830 -5.286 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.443 -7.553 -3.977 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.423 -5.868 -5.227 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.118 -6.413 -6.346 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.264 -5.276 -7.691 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.603 -4.412 -6.959 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.228 -4.148 -8.037 1.00 0.00 H new ATOM 1253 N ALA A 82 1.423 -8.641 -3.607 1.00 0.00 N ATOM 1254 CA ALA A 82 2.320 -9.071 -4.672 1.00 0.00 C ATOM 1255 C ALA A 82 1.541 -9.670 -5.838 1.00 0.00 C ATOM 1256 O ALA A 82 0.638 -10.483 -5.640 1.00 0.00 O ATOM 1257 CB ALA A 82 3.331 -10.075 -4.138 1.00 0.00 C ATOM 0 H ALA A 82 0.995 -9.404 -3.082 1.00 0.00 H new ATOM 0 HA ALA A 82 2.854 -8.195 -5.039 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.994 -10.387 -4.945 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.918 -9.613 -3.344 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.806 -10.945 -3.743 1.00 0.00 H new ATOM 1263 N ARG A 83 1.896 -9.264 -7.052 1.00 0.00 N ATOM 1264 CA ARG A 83 1.228 -9.760 -8.249 1.00 0.00 C ATOM 1265 C ARG A 83 2.229 -10.411 -9.200 1.00 0.00 C ATOM 1266 O ARG A 83 3.383 -9.990 -9.288 1.00 0.00 O ATOM 1267 CB ARG A 83 0.498 -8.620 -8.962 1.00 0.00 C ATOM 1268 CG ARG A 83 -0.286 -9.068 -10.184 1.00 0.00 C ATOM 1269 CD ARG A 83 -0.685 -7.887 -11.055 1.00 0.00 C ATOM 1270 NE ARG A 83 0.465 -7.292 -11.731 1.00 0.00 N ATOM 1271 CZ ARG A 83 0.465 -6.064 -12.236 1.00 0.00 C ATOM 1272 NH1 ARG A 83 -0.617 -5.304 -12.141 1.00 0.00 N ATOM 1273 NH2 ARG A 83 1.550 -5.593 -12.837 1.00 0.00 N ATOM 0 H ARG A 83 2.642 -8.593 -7.233 1.00 0.00 H new ATOM 0 HA ARG A 83 0.501 -10.512 -7.943 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.184 -8.141 -8.259 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.226 -7.867 -9.264 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.315 -9.765 -10.768 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.180 -9.606 -9.867 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.413 -8.214 -11.798 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.174 -7.132 -10.440 1.00 0.00 H new ATOM 0 HE ARG A 83 1.314 -7.850 -11.820 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.453 -5.662 -11.679 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.614 -4.361 -12.530 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.385 -6.174 -12.911 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.549 -4.650 -13.225 1.00 0.00 H new ATOM 1287 N THR A 84 1.779 -11.440 -9.911 1.00 0.00 N ATOM 1288 CA THR A 84 2.634 -12.150 -10.854 1.00 0.00 C ATOM 1289 C THR A 84 1.824 -12.712 -12.016 1.00 0.00 C ATOM 1290 O THR A 84 0.596 -12.776 -11.956 1.00 0.00 O ATOM 1291 CB THR A 84 3.392 -13.302 -10.167 1.00 0.00 C ATOM 1292 OG1 THR A 84 2.496 -14.385 -9.896 1.00 0.00 O ATOM 1293 CG2 THR A 84 4.034 -12.830 -8.871 1.00 0.00 C ATOM 0 H THR A 84 0.827 -11.800 -9.852 1.00 0.00 H new ATOM 0 HA THR A 84 3.354 -11.426 -11.234 1.00 0.00 H new ATOM 0 HB THR A 84 4.179 -13.643 -10.840 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.986 -15.114 -9.461 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.563 -13.660 -8.404 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.738 -12.026 -9.085 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.261 -12.465 -8.194 1.00 0.00 H new ATOM 1301 N VAL A 85 2.518 -13.120 -13.073 1.00 0.00 N ATOM 1302 CA VAL A 85 1.863 -13.679 -14.250 1.00 0.00 C ATOM 1303 C VAL A 85 0.752 -14.644 -13.853 1.00 0.00 C ATOM 1304 O VAL A 85 -0.265 -14.751 -14.537 1.00 0.00 O ATOM 1305 CB VAL A 85 2.868 -14.414 -15.156 1.00 0.00 C ATOM 1306 CG1 VAL A 85 3.211 -15.778 -14.576 1.00 0.00 C ATOM 1307 CG2 VAL A 85 2.313 -14.550 -16.566 1.00 0.00 C ATOM 0 H VAL A 85 3.535 -13.074 -13.139 1.00 0.00 H new ATOM 0 HA VAL A 85 1.434 -12.842 -14.801 1.00 0.00 H new ATOM 0 HB VAL A 85 3.784 -13.826 -15.206 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.922 -16.283 -15.230 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.652 -15.652 -13.587 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.304 -16.377 -14.495 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.036 -15.072 -17.193 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.382 -15.116 -16.538 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.123 -13.559 -16.979 1.00 0.00 H new ATOM 1317 N ALA A 86 0.953 -15.345 -12.742 1.00 0.00 N ATOM 1318 CA ALA A 86 -0.032 -16.301 -12.252 1.00 0.00 C ATOM 1319 C ALA A 86 -1.306 -15.593 -11.800 1.00 0.00 C ATOM 1320 O ALA A 86 -2.411 -15.990 -12.166 1.00 0.00 O ATOM 1321 CB ALA A 86 0.550 -17.122 -11.111 1.00 0.00 C ATOM 0 H ALA A 86 1.790 -15.269 -12.164 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.290 -16.971 -13.072 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.197 -17.832 -10.755 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.427 -17.665 -11.464 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.838 -16.459 -10.295 1.00 0.00 H new ATOM 1327 N GLY A 87 -1.142 -14.542 -11.002 1.00 0.00 N ATOM 1328 CA GLY A 87 -2.287 -13.796 -10.513 1.00 0.00 C ATOM 1329 C GLY A 87 -1.927 -12.860 -9.377 1.00 0.00 C ATOM 1330 O GLY A 87 -0.755 -12.722 -9.025 1.00 0.00 O ATOM 0 H GLY A 87 -0.237 -14.194 -10.686 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.718 -13.220 -11.332 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.054 -14.493 -10.176 1.00 0.00 H new ATOM 1334 N TYR A 88 -2.936 -12.214 -8.803 1.00 0.00 N ATOM 1335 CA TYR A 88 -2.719 -11.283 -7.702 1.00 0.00 C ATOM 1336 C TYR A 88 -2.578 -12.027 -6.378 1.00 0.00 C ATOM 1337 O TYR A 88 -3.179 -13.082 -6.179 1.00 0.00 O ATOM 1338 CB TYR A 88 -3.874 -10.283 -7.617 1.00 0.00 C ATOM 1339 CG TYR A 88 -3.782 -9.164 -8.630 1.00 0.00 C ATOM 1340 CD1 TYR A 88 -4.218 -9.346 -9.937 1.00 0.00 C ATOM 1341 CD2 TYR A 88 -3.258 -7.926 -8.280 1.00 0.00 C ATOM 1342 CE1 TYR A 88 -4.135 -8.326 -10.865 1.00 0.00 C ATOM 1343 CE2 TYR A 88 -3.172 -6.901 -9.202 1.00 0.00 C ATOM 1344 CZ TYR A 88 -3.612 -7.106 -10.493 1.00 0.00 C ATOM 1345 OH TYR A 88 -3.527 -6.087 -11.415 1.00 0.00 O ATOM 0 H TYR A 88 -3.912 -12.318 -9.082 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.792 -10.743 -7.895 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.815 -10.814 -7.760 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.899 -9.854 -6.615 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.628 -10.300 -10.232 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.912 -7.762 -7.270 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.478 -8.484 -11.877 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.762 -5.944 -8.914 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.366 -5.239 -10.951 1.00 0.00 H new ATOM 1355 N GLY A 89 -1.778 -11.468 -5.474 1.00 0.00 N ATOM 1356 CA GLY A 89 -1.572 -12.091 -4.180 1.00 0.00 C ATOM 1357 C GLY A 89 -2.319 -11.381 -3.069 1.00 0.00 C ATOM 1358 O GLY A 89 -2.864 -10.296 -3.272 1.00 0.00 O ATOM 0 H GLY A 89 -1.269 -10.595 -5.615 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.896 -13.131 -4.225 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.507 -12.099 -3.950 1.00 0.00 H new ATOM 1362 N LYS A 90 -2.346 -11.994 -1.890 1.00 0.00 N ATOM 1363 CA LYS A 90 -3.032 -11.414 -0.741 1.00 0.00 C ATOM 1364 C LYS A 90 -2.308 -10.165 -0.249 1.00 0.00 C ATOM 1365 O LYS A 90 -1.143 -9.940 -0.579 1.00 0.00 O ATOM 1366 CB LYS A 90 -3.130 -12.439 0.390 1.00 0.00 C ATOM 1367 CG LYS A 90 -1.794 -12.762 1.036 1.00 0.00 C ATOM 1368 CD LYS A 90 -1.770 -14.177 1.590 1.00 0.00 C ATOM 1369 CE LYS A 90 -0.561 -14.405 2.485 1.00 0.00 C ATOM 1370 NZ LYS A 90 -0.143 -15.834 2.500 1.00 0.00 N ATOM 0 H LYS A 90 -1.901 -12.893 -1.705 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.037 -11.130 -1.054 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.811 -12.062 1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.567 -13.358 -0.001 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.996 -12.644 0.303 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.596 -12.052 1.839 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.683 -14.363 2.156 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.754 -14.891 0.767 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.268 -13.788 2.139 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.795 -14.085 3.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.683 -15.947 3.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.925 -16.421 2.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.105 -16.133 1.535 1.00 0.00 H new ATOM 1384 N PHE A 91 -3.004 -9.356 0.543 1.00 0.00 N ATOM 1385 CA PHE A 91 -2.427 -8.130 1.081 1.00 0.00 C ATOM 1386 C PHE A 91 -1.652 -8.412 2.365 1.00 0.00 C ATOM 1387 O PHE A 91 -1.846 -9.445 3.006 1.00 0.00 O ATOM 1388 CB PHE A 91 -3.526 -7.100 1.351 1.00 0.00 C ATOM 1389 CG PHE A 91 -3.999 -6.391 0.115 1.00 0.00 C ATOM 1390 CD1 PHE A 91 -3.346 -5.257 -0.342 1.00 0.00 C ATOM 1391 CD2 PHE A 91 -5.096 -6.858 -0.591 1.00 0.00 C ATOM 1392 CE1 PHE A 91 -3.780 -4.602 -1.479 1.00 0.00 C ATOM 1393 CE2 PHE A 91 -5.534 -6.207 -1.729 1.00 0.00 C ATOM 1394 CZ PHE A 91 -4.875 -5.079 -2.174 1.00 0.00 C ATOM 0 H PHE A 91 -3.969 -9.528 0.826 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.735 -7.728 0.341 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.373 -7.599 1.821 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -3.155 -6.363 2.064 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.489 -4.881 0.196 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.615 -7.741 -0.248 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.264 -3.718 -1.824 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.391 -6.581 -2.269 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.215 -4.570 -3.064 1.00 0.00 H new ATOM 1404 N SER A 92 -0.773 -7.486 2.734 1.00 0.00 N ATOM 1405 CA SER A 92 0.035 -7.635 3.939 1.00 0.00 C ATOM 1406 C SER A 92 -0.714 -7.117 5.163 1.00 0.00 C ATOM 1407 O SER A 92 -1.784 -6.522 5.044 1.00 0.00 O ATOM 1408 CB SER A 92 1.361 -6.889 3.785 1.00 0.00 C ATOM 1409 OG SER A 92 1.155 -5.488 3.736 1.00 0.00 O ATOM 0 H SER A 92 -0.602 -6.624 2.216 1.00 0.00 H new ATOM 0 HA SER A 92 0.238 -8.696 4.081 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.019 -7.134 4.619 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.863 -7.218 2.875 1.00 0.00 H new ATOM 0 HG SER A 92 1.955 -5.028 4.066 1.00 0.00 H new ATOM 1415 N GLY A 93 -0.142 -7.349 6.341 1.00 0.00 N ATOM 1416 CA GLY A 93 -0.768 -6.900 7.571 1.00 0.00 C ATOM 1417 C GLY A 93 -1.365 -5.513 7.445 1.00 0.00 C ATOM 1418 O GLY A 93 -0.960 -4.730 6.584 1.00 0.00 O ATOM 0 H GLY A 93 0.744 -7.840 6.465 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.550 -7.604 7.855 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.030 -6.903 8.373 1.00 0.00 H new ATOM 1422 N LYS A 94 -2.331 -5.206 8.303 1.00 0.00 N ATOM 1423 CA LYS A 94 -2.986 -3.903 8.285 1.00 0.00 C ATOM 1424 C LYS A 94 -2.294 -2.933 9.238 1.00 0.00 C ATOM 1425 O LYS A 94 -2.214 -3.181 10.440 1.00 0.00 O ATOM 1426 CB LYS A 94 -4.461 -4.045 8.668 1.00 0.00 C ATOM 1427 CG LYS A 94 -5.373 -3.068 7.947 1.00 0.00 C ATOM 1428 CD LYS A 94 -6.593 -2.722 8.785 1.00 0.00 C ATOM 1429 CE LYS A 94 -7.744 -3.679 8.514 1.00 0.00 C ATOM 1430 NZ LYS A 94 -8.944 -3.350 9.332 1.00 0.00 N ATOM 0 H LYS A 94 -2.678 -5.842 9.021 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.916 -3.503 7.273 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.788 -5.062 8.451 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.564 -3.900 9.743 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.821 -2.158 7.714 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.692 -3.499 6.998 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.331 -2.756 9.843 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.908 -1.701 8.567 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.005 -3.643 7.456 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.426 -4.699 8.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.706 -4.025 9.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.703 -3.409 10.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.263 -2.386 9.108 1.00 0.00 H new ATOM 1444 N MET A 95 -1.798 -1.828 8.692 1.00 0.00 N ATOM 1445 CA MET A 95 -1.115 -0.819 9.495 1.00 0.00 C ATOM 1446 C MET A 95 -1.792 0.540 9.350 1.00 0.00 C ATOM 1447 O MET A 95 -2.442 0.816 8.341 1.00 0.00 O ATOM 1448 CB MET A 95 0.354 -0.717 9.082 1.00 0.00 C ATOM 1449 CG MET A 95 1.255 -0.162 10.174 1.00 0.00 C ATOM 1450 SD MET A 95 1.538 -1.343 11.507 1.00 0.00 S ATOM 1451 CE MET A 95 3.022 -2.161 10.925 1.00 0.00 C ATOM 0 H MET A 95 -1.856 -1.608 7.698 1.00 0.00 H new ATOM 0 HA MET A 95 -1.171 -1.123 10.540 1.00 0.00 H new ATOM 0 HB2 MET A 95 0.712 -1.706 8.795 1.00 0.00 H new ATOM 0 HB3 MET A 95 0.432 -0.081 8.200 1.00 0.00 H new ATOM 0 HG2 MET A 95 2.212 0.125 9.739 1.00 0.00 H new ATOM 0 HG3 MET A 95 0.807 0.743 10.584 1.00 0.00 H new ATOM 0 HE1 MET A 95 3.324 -2.922 11.644 1.00 0.00 H new ATOM 0 HE2 MET A 95 2.825 -2.631 9.961 1.00 0.00 H new ATOM 0 HE3 MET A 95 3.822 -1.429 10.815 1.00 0.00 H new ATOM 1461 N CYS A 96 -1.636 1.385 10.363 1.00 0.00 N ATOM 1462 CA CYS A 96 -2.233 2.715 10.348 1.00 0.00 C ATOM 1463 C CYS A 96 -1.156 3.794 10.310 1.00 0.00 C ATOM 1464 O CYS A 96 -0.336 3.902 11.222 1.00 0.00 O ATOM 1465 CB CYS A 96 -3.123 2.911 11.576 1.00 0.00 C ATOM 1466 SG CYS A 96 -2.249 2.769 13.153 1.00 0.00 S ATOM 0 H CYS A 96 -1.101 1.172 11.205 1.00 0.00 H new ATOM 0 HA CYS A 96 -2.842 2.802 9.448 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -3.590 3.894 11.519 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -3.926 2.174 11.550 1.00 0.00 H new ATOM 0 HG CYS A 96 -1.023 3.176 13.008 1.00 0.00 H new ATOM 1472 N PHE A 97 -1.162 4.591 9.246 1.00 0.00 N ATOM 1473 CA PHE A 97 -0.183 5.661 9.086 1.00 0.00 C ATOM 1474 C PHE A 97 -0.872 7.019 8.994 1.00 0.00 C ATOM 1475 O PHE A 97 -1.668 7.262 8.088 1.00 0.00 O ATOM 1476 CB PHE A 97 0.666 5.421 7.836 1.00 0.00 C ATOM 1477 CG PHE A 97 1.233 4.033 7.753 1.00 0.00 C ATOM 1478 CD1 PHE A 97 2.365 3.688 8.473 1.00 0.00 C ATOM 1479 CD2 PHE A 97 0.633 3.072 6.955 1.00 0.00 C ATOM 1480 CE1 PHE A 97 2.889 2.411 8.399 1.00 0.00 C ATOM 1481 CE2 PHE A 97 1.151 1.793 6.878 1.00 0.00 C ATOM 1482 CZ PHE A 97 2.282 1.463 7.600 1.00 0.00 C ATOM 0 H PHE A 97 -1.834 4.516 8.482 1.00 0.00 H new ATOM 0 HA PHE A 97 0.465 5.661 9.962 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.057 5.610 6.952 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.484 6.141 7.819 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.844 4.426 9.100 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -0.250 3.325 6.387 1.00 0.00 H new ATOM 0 HE1 PHE A 97 3.772 2.155 8.966 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.672 1.052 6.254 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.690 0.465 7.539 1.00 0.00 H new ATOM 1492 N GLN A 98 -0.560 7.899 9.940 1.00 0.00 N ATOM 1493 CA GLN A 98 -1.150 9.232 9.966 1.00 0.00 C ATOM 1494 C GLN A 98 -0.157 10.277 9.468 1.00 0.00 C ATOM 1495 O GLN A 98 1.055 10.119 9.618 1.00 0.00 O ATOM 1496 CB GLN A 98 -1.609 9.582 11.383 1.00 0.00 C ATOM 1497 CG GLN A 98 -0.480 9.597 12.401 1.00 0.00 C ATOM 1498 CD GLN A 98 -0.958 9.949 13.797 1.00 0.00 C ATOM 1499 OE1 GLN A 98 -0.782 9.176 14.739 1.00 0.00 O ATOM 1500 NE2 GLN A 98 -1.565 11.121 13.936 1.00 0.00 N ATOM 0 H GLN A 98 0.097 7.713 10.698 1.00 0.00 H new ATOM 0 HA GLN A 98 -2.014 9.232 9.301 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -2.088 10.561 11.370 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.364 8.862 11.700 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.001 8.618 12.421 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.277 10.316 12.088 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -1.689 11.730 13.127 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.907 11.413 14.852 1.00 0.00 H new ATOM 1509 N THR A 99 -0.678 11.346 8.874 1.00 0.00 N ATOM 1510 CA THR A 99 0.162 12.416 8.352 1.00 0.00 C ATOM 1511 C THR A 99 0.661 13.320 9.473 1.00 0.00 C ATOM 1512 O THR A 99 0.310 13.132 10.639 1.00 0.00 O ATOM 1513 CB THR A 99 -0.594 13.271 7.317 1.00 0.00 C ATOM 1514 OG1 THR A 99 -1.704 13.926 7.941 1.00 0.00 O ATOM 1515 CG2 THR A 99 -1.089 12.412 6.163 1.00 0.00 C ATOM 0 H THR A 99 -1.679 11.494 8.743 1.00 0.00 H new ATOM 0 HA THR A 99 1.014 11.940 7.866 1.00 0.00 H new ATOM 0 HB THR A 99 0.094 14.019 6.923 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.482 13.891 7.346 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.620 13.038 5.445 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.239 11.937 5.672 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.763 11.645 6.544 1.00 0.00 H new ATOM 1523 N LEU A 100 1.480 14.303 9.115 1.00 0.00 N ATOM 1524 CA LEU A 100 2.027 15.238 10.092 1.00 0.00 C ATOM 1525 C LEU A 100 0.951 16.198 10.588 1.00 0.00 C ATOM 1526 O LEU A 100 0.259 16.837 9.795 1.00 0.00 O ATOM 1527 CB LEU A 100 3.187 16.025 9.480 1.00 0.00 C ATOM 1528 CG LEU A 100 4.176 15.218 8.638 1.00 0.00 C ATOM 1529 CD1 LEU A 100 5.259 16.124 8.073 1.00 0.00 C ATOM 1530 CD2 LEU A 100 4.792 14.099 9.466 1.00 0.00 C ATOM 0 H LEU A 100 1.780 14.473 8.155 1.00 0.00 H new ATOM 0 HA LEU A 100 2.395 14.664 10.942 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.773 16.818 8.857 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.738 16.508 10.287 1.00 0.00 H new ATOM 0 HG LEU A 100 3.634 14.770 7.805 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.954 15.532 7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.802 16.889 7.445 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.798 16.601 8.892 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.493 13.535 8.851 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.319 14.526 10.319 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.005 13.434 9.822 1.00 0.00 H new ATOM 1542 N THR A 101 0.817 16.298 11.907 1.00 0.00 N ATOM 1543 CA THR A 101 -0.173 17.182 12.510 1.00 0.00 C ATOM 1544 C THR A 101 0.432 18.541 12.842 1.00 0.00 C ATOM 1545 O THR A 101 1.141 18.689 13.837 1.00 0.00 O ATOM 1546 CB THR A 101 -0.766 16.569 13.793 1.00 0.00 C ATOM 1547 OG1 THR A 101 0.276 16.314 14.741 1.00 0.00 O ATOM 1548 CG2 THR A 101 -1.504 15.275 13.483 1.00 0.00 C ATOM 0 H THR A 101 1.382 15.777 12.578 1.00 0.00 H new ATOM 0 HA THR A 101 -0.969 17.312 11.777 1.00 0.00 H new ATOM 0 HB THR A 101 -1.475 17.281 14.216 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.880 17.085 14.778 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.914 14.860 14.404 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.315 15.477 12.783 1.00 0.00 H new ATOM 0 HG23 THR A 101 -0.812 14.559 13.039 1.00 0.00 H new ATOM 1556 N ASP A 102 0.147 19.531 12.003 1.00 0.00 N ATOM 1557 CA ASP A 102 0.662 20.879 12.209 1.00 0.00 C ATOM 1558 C ASP A 102 0.459 21.324 13.654 1.00 0.00 C ATOM 1559 O ASP A 102 1.409 21.711 14.334 1.00 0.00 O ATOM 1560 CB ASP A 102 -0.025 21.861 11.258 1.00 0.00 C ATOM 1561 CG ASP A 102 0.147 23.304 11.692 1.00 0.00 C ATOM 1562 OD1 ASP A 102 1.257 23.659 12.141 1.00 0.00 O ATOM 1563 OD2 ASP A 102 -0.828 24.076 11.585 1.00 0.00 O ATOM 0 H ASP A 102 -0.438 19.425 11.174 1.00 0.00 H new ATOM 0 HA ASP A 102 1.731 20.869 11.998 1.00 0.00 H new ATOM 0 HB2 ASP A 102 0.382 21.735 10.255 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -1.088 21.625 11.203 1.00 0.00 H new