USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 915 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: B 88 MET CE :methyl -145:sc= -7.08! (180deg=-7.49!) USER MOD Set 1.2: B 130 CYS SG : rot -140:sc= -3.26! USER MOD Set 2.1: B 43 ASN :FLIP amide:sc= -1.72 F(o=-2.5!,f=-1.7) USER MOD Set 2.2: B 47 SER OG : rot 180:sc= 0.0633 USER MOD Set 3.1: B 22 TYR OH : rot 30:sc= 0.407 USER MOD Set 3.2: B 111 HIS : no HD1:sc= -3.52! K(o=-3.1!,f=-4.6) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -115:sc= -7.57! (180deg=-16.2!) USER MOD Single : A 15 GLN : amide:sc= -2.44 K(o=-2.4,f=-3.2!) USER MOD Single : A 16 GLN : amide:sc= -1.65 K(o=-1.7,f=-3.6!) USER MOD Single : A 17 ASN : amide:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : B 16 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.064) USER MOD Single : B 17 LYS NZ :NH3+ 178:sc= 0.376 (180deg=0.357) USER MOD Single : B 21 GLN : amide:sc= -0.464 K(o=-0.46,f=-3!) USER MOD Single : B 25 MET CE :methyl 167:sc= -0.176 (180deg=-0.462) USER MOD Single : B 34 MET CE :methyl 137:sc= -1.65 (180deg=-3.63!) USER MOD Single : B 36 THR OG1 : rot 180:sc= 0 USER MOD Single : B 38 ASN : amide:sc= -3.05 K(o=-3,f=-8.2!) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 45 MET CE :methyl -140:sc= -5.94! (180deg=-9.69!) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 SER OG : rot 180:sc= 0 USER MOD Single : B 50 LYS NZ :NH3+ -153:sc= 2.01 (180deg=1.31) USER MOD Single : B 55 SER OG : rot 180:sc= 0.0344 USER MOD Single : B 57 ASN : amide:sc= -4.47! C(o=-4.5!,f=-10!) USER MOD Single : B 58 MET CE :methyl 168:sc= -0.158 (180deg=-0.315) USER MOD Single : B 59 ASN : amide:sc= -2.69 X(o=-2.7,f=-2.4) USER MOD Single : B 64 THR OG1 : rot -28:sc= 0.198! USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 ASN : amide:sc= 0.942 K(o=0.94,f=-2.4!) USER MOD Single : B 80 CYS SG : rot 137:sc= -8.78! USER MOD Single : B 86 SER OG : rot 113:sc= -1.01 USER MOD Single : B 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 95 HIS : no HD1:sc= -0.529 K(o=-0.53,f=-4.8!) USER MOD Single : B 96 THR OG1 : rot 5:sc= 0.18 USER MOD Single : B 101 MET CE :methyl -160:sc= -0.507 (180deg=-1.44) USER MOD Single : B 110 CYS SG : rot 170:sc= -1.26 USER MOD Single : B 115 CYS SG : rot 131:sc= -4.81! USER MOD Single : B 118 ASN : amide:sc= 0.492 K(o=0.49,f=-6.1!) USER MOD Single : B 121 ASN : amide:sc=-0.00191 X(o=-0.0019,f=-0.099) USER MOD Single : B 123 SER OG : rot -73:sc= 1.13 USER MOD Single : B 127 GLN : amide:sc= -1.93! C(o=-1.9!,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 148 N LEU A 11 11.397 -14.237 2.450 1.00 0.00 N ATOM 149 CA LEU A 11 9.982 -14.465 2.692 1.00 0.00 C ATOM 150 C LEU A 11 9.750 -14.653 4.193 1.00 0.00 C ATOM 151 O LEU A 11 8.877 -14.011 4.775 1.00 0.00 O ATOM 152 CB LEU A 11 9.474 -15.630 1.841 1.00 0.00 C ATOM 153 CG LEU A 11 9.450 -15.396 0.329 1.00 0.00 C ATOM 154 CD1 LEU A 11 9.182 -16.701 -0.424 1.00 0.00 C ATOM 155 CD2 LEU A 11 8.444 -14.304 -0.040 1.00 0.00 C ATOM 0 HA LEU A 11 9.398 -13.597 2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.097 -16.501 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.464 -15.878 2.166 1.00 0.00 H new ATOM 0 HG LEU A 11 10.435 -15.044 0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.170 -16.506 -1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.967 -17.421 -0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.217 -17.106 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.446 -14.157 -1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.447 -14.603 0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.721 -13.372 0.454 1.00 0.00 H new ATOM 167 N SER A 12 10.548 -15.536 4.777 1.00 0.00 N ATOM 168 CA SER A 12 10.440 -15.816 6.198 1.00 0.00 C ATOM 169 C SER A 12 10.358 -14.506 6.985 1.00 0.00 C ATOM 170 O SER A 12 9.567 -14.388 7.920 1.00 0.00 O ATOM 171 CB SER A 12 11.623 -16.655 6.685 1.00 0.00 C ATOM 172 OG SER A 12 11.277 -17.468 7.803 1.00 0.00 O ATOM 0 H SER A 12 11.271 -16.066 4.291 1.00 0.00 H new ATOM 0 HA SER A 12 9.529 -16.390 6.365 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.977 -17.289 5.872 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.447 -15.996 6.957 1.00 0.00 H new ATOM 0 HG SER A 12 12.058 -17.989 8.083 1.00 0.00 H new ATOM 178 N LYS A 13 11.187 -13.556 6.578 1.00 0.00 N ATOM 179 CA LYS A 13 11.219 -12.260 7.234 1.00 0.00 C ATOM 180 C LYS A 13 9.860 -11.577 7.069 1.00 0.00 C ATOM 181 O LYS A 13 9.370 -10.929 7.993 1.00 0.00 O ATOM 182 CB LYS A 13 12.393 -11.426 6.716 1.00 0.00 C ATOM 183 CG LYS A 13 12.279 -11.195 5.208 1.00 0.00 C ATOM 184 CD LYS A 13 11.820 -9.768 4.905 1.00 0.00 C ATOM 185 CE LYS A 13 12.735 -9.106 3.872 1.00 0.00 C ATOM 186 NZ LYS A 13 14.034 -8.747 4.485 1.00 0.00 N ATOM 0 H LYS A 13 11.841 -13.658 5.802 1.00 0.00 H new ATOM 0 HA LYS A 13 11.390 -12.378 8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.419 -10.467 7.233 1.00 0.00 H new ATOM 0 HB3 LYS A 13 13.331 -11.934 6.940 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.243 -11.379 4.734 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.573 -11.907 4.780 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.796 -9.783 4.532 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.817 -9.180 5.823 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.897 -9.783 3.033 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.255 -8.213 3.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.643 -8.299 3.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.876 -8.084 5.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.497 -9.606 4.845 1.00 0.00 H new ATOM 200 N MET A 14 9.289 -11.744 5.885 1.00 0.00 N ATOM 201 CA MET A 14 7.996 -11.151 5.587 1.00 0.00 C ATOM 202 C MET A 14 6.859 -11.995 6.168 1.00 0.00 C ATOM 203 O MET A 14 5.705 -11.569 6.174 1.00 0.00 O ATOM 204 CB MET A 14 7.824 -11.037 4.071 1.00 0.00 C ATOM 205 CG MET A 14 8.515 -9.782 3.534 1.00 0.00 C ATOM 206 SD MET A 14 7.441 -8.937 2.386 1.00 0.00 S ATOM 207 CE MET A 14 8.219 -7.331 2.359 1.00 0.00 C ATOM 0 H MET A 14 9.698 -12.281 5.121 1.00 0.00 H new ATOM 0 HA MET A 14 7.958 -10.161 6.041 1.00 0.00 H new ATOM 0 HB2 MET A 14 8.239 -11.921 3.587 1.00 0.00 H new ATOM 0 HB3 MET A 14 6.763 -11.007 3.823 1.00 0.00 H new ATOM 0 HG2 MET A 14 8.773 -9.118 4.359 1.00 0.00 H new ATOM 0 HG3 MET A 14 9.448 -10.054 3.039 1.00 0.00 H new ATOM 0 HE1 MET A 14 7.538 -6.590 2.778 1.00 0.00 H new ATOM 0 HE2 MET A 14 9.134 -7.360 2.951 1.00 0.00 H new ATOM 0 HE3 MET A 14 8.461 -7.061 1.331 1.00 0.00 H new ATOM 217 N GLN A 15 7.225 -13.177 6.642 1.00 0.00 N ATOM 218 CA GLN A 15 6.251 -14.084 7.223 1.00 0.00 C ATOM 219 C GLN A 15 5.936 -13.674 8.663 1.00 0.00 C ATOM 220 O GLN A 15 4.897 -14.047 9.206 1.00 0.00 O ATOM 221 CB GLN A 15 6.743 -15.531 7.161 1.00 0.00 C ATOM 222 CG GLN A 15 6.767 -16.041 5.719 1.00 0.00 C ATOM 223 CD GLN A 15 6.149 -17.437 5.620 1.00 0.00 C ATOM 224 OE1 GLN A 15 6.816 -18.421 5.343 1.00 0.00 O ATOM 225 NE2 GLN A 15 4.841 -17.469 5.861 1.00 0.00 N ATOM 0 H GLN A 15 8.183 -13.527 6.635 1.00 0.00 H new ATOM 0 HA GLN A 15 5.333 -14.022 6.639 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.743 -15.598 7.591 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.094 -16.166 7.764 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.220 -15.351 5.076 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.794 -16.068 5.356 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.343 -16.608 6.087 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.336 -18.354 5.820 1.00 0.00 H new ATOM 234 N GLN A 16 6.853 -12.911 9.241 1.00 0.00 N ATOM 235 CA GLN A 16 6.686 -12.445 10.607 1.00 0.00 C ATOM 236 C GLN A 16 7.307 -11.057 10.775 1.00 0.00 C ATOM 237 O GLN A 16 6.659 -10.140 11.276 1.00 0.00 O ATOM 238 CB GLN A 16 7.289 -13.439 11.602 1.00 0.00 C ATOM 239 CG GLN A 16 8.456 -14.204 10.975 1.00 0.00 C ATOM 240 CD GLN A 16 9.783 -13.488 11.234 1.00 0.00 C ATOM 241 OE1 GLN A 16 9.979 -12.835 12.246 1.00 0.00 O ATOM 242 NE2 GLN A 16 10.682 -13.646 10.266 1.00 0.00 N ATOM 0 H GLN A 16 7.714 -12.604 8.788 1.00 0.00 H new ATOM 0 HA GLN A 16 5.619 -12.372 10.817 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.633 -12.907 12.489 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.523 -14.142 11.929 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.497 -15.213 11.386 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.296 -14.303 9.901 1.00 0.00 H new ATOM 0 HE21 GLN A 16 10.454 -14.206 9.444 1.00 0.00 H new ATOM 0 HE22 GLN A 16 11.599 -13.207 10.345 1.00 0.00 H new ATOM 251 N ASN A 17 8.556 -10.947 10.345 1.00 0.00 N ATOM 252 CA ASN A 17 9.272 -9.686 10.441 1.00 0.00 C ATOM 253 C ASN A 17 8.558 -8.633 9.591 1.00 0.00 C ATOM 254 O ASN A 17 8.724 -7.435 9.812 1.00 0.00 O ATOM 255 CB ASN A 17 10.703 -9.824 9.919 1.00 0.00 C ATOM 256 CG ASN A 17 11.718 -9.398 10.981 1.00 0.00 C ATOM 257 OD1 ASN A 17 11.858 -8.231 11.310 1.00 0.00 O ATOM 258 ND2 ASN A 17 12.416 -10.405 11.498 1.00 0.00 N ATOM 0 H ASN A 17 9.090 -11.710 9.929 1.00 0.00 H new ATOM 0 HA ASN A 17 9.298 -9.392 11.490 1.00 0.00 H new ATOM 0 HB2 ASN A 17 10.889 -10.858 9.627 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.828 -9.213 9.025 1.00 0.00 H new ATOM 0 HD21 ASN A 17 13.118 -10.224 12.215 1.00 0.00 H new ATOM 0 HD22 ASN A 17 12.249 -11.359 11.178 1.00 0.00 H new ATOM 265 N GLY A 18 7.778 -9.119 8.637 1.00 0.00 N ATOM 266 CA GLY A 18 7.038 -8.235 7.752 1.00 0.00 C ATOM 267 C GLY A 18 7.915 -7.075 7.277 1.00 0.00 C ATOM 268 O GLY A 18 9.128 -7.084 7.483 1.00 0.00 O ATOM 0 H GLY A 18 7.642 -10.114 8.457 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.675 -8.797 6.892 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.162 -7.845 8.271 1.00 0.00 H new ATOM 272 N TYR A 19 7.268 -6.104 6.650 1.00 0.00 N ATOM 273 CA TYR A 19 7.974 -4.939 6.144 1.00 0.00 C ATOM 274 C TYR A 19 7.184 -3.657 6.417 1.00 0.00 C ATOM 275 O TYR A 19 5.966 -3.626 6.246 1.00 0.00 O ATOM 276 CB TYR A 19 8.090 -5.140 4.632 1.00 0.00 C ATOM 277 CG TYR A 19 8.874 -4.039 3.916 1.00 0.00 C ATOM 278 CD1 TYR A 19 10.254 -4.036 3.957 1.00 0.00 C ATOM 279 CD2 TYR A 19 8.202 -3.049 3.228 1.00 0.00 C ATOM 280 CE1 TYR A 19 10.992 -3.000 3.283 1.00 0.00 C ATOM 281 CE2 TYR A 19 8.941 -2.012 2.554 1.00 0.00 C ATOM 282 CZ TYR A 19 10.299 -2.039 2.615 1.00 0.00 C ATOM 283 OH TYR A 19 10.996 -1.060 1.978 1.00 0.00 O ATOM 0 H TYR A 19 6.262 -6.100 6.481 1.00 0.00 H new ATOM 0 HA TYR A 19 8.945 -4.839 6.628 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.572 -6.099 4.439 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.089 -5.195 4.205 1.00 0.00 H new ATOM 0 HD1 TYR A 19 10.780 -4.811 4.495 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.123 -3.052 3.195 1.00 0.00 H new ATOM 0 HE1 TYR A 19 12.072 -2.986 3.307 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.428 -1.231 2.013 1.00 0.00 H new ATOM 0 HH TYR A 19 11.863 -1.412 1.686 1.00 0.00 H new ATOM 293 N GLU A 20 7.909 -2.631 6.837 1.00 0.00 N ATOM 294 CA GLU A 20 7.292 -1.350 7.135 1.00 0.00 C ATOM 295 C GLU A 20 7.922 -0.246 6.284 1.00 0.00 C ATOM 296 O GLU A 20 9.056 0.160 6.529 1.00 0.00 O ATOM 297 CB GLU A 20 7.401 -1.023 8.626 1.00 0.00 C ATOM 298 CG GLU A 20 6.090 -0.440 9.157 1.00 0.00 C ATOM 299 CD GLU A 20 6.238 0.007 10.612 1.00 0.00 C ATOM 300 OE1 GLU A 20 6.516 -0.876 11.452 1.00 0.00 O ATOM 301 OE2 GLU A 20 6.070 1.222 10.853 1.00 0.00 O ATOM 0 H GLU A 20 8.919 -2.661 6.978 1.00 0.00 H new ATOM 0 HA GLU A 20 6.233 -1.413 6.887 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.653 -1.926 9.182 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.211 -0.312 8.788 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.789 0.408 8.541 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.299 -1.186 9.081 1.00 0.00 H new ATOM 691 N VAL B 15 7.401 -2.035 -16.946 1.00 0.00 N ATOM 692 CA VAL B 15 6.883 -2.622 -15.722 1.00 0.00 C ATOM 693 C VAL B 15 7.275 -4.100 -15.664 1.00 0.00 C ATOM 694 O VAL B 15 7.530 -4.719 -16.696 1.00 0.00 O ATOM 695 CB VAL B 15 5.372 -2.400 -15.634 1.00 0.00 C ATOM 696 CG1 VAL B 15 4.742 -3.327 -14.592 1.00 0.00 C ATOM 697 CG2 VAL B 15 5.050 -0.935 -15.331 1.00 0.00 C ATOM 0 HA VAL B 15 7.321 -2.136 -14.850 1.00 0.00 H new ATOM 0 HB VAL B 15 4.940 -2.644 -16.605 1.00 0.00 H new ATOM 0 HG11 VAL B 15 3.667 -3.149 -14.549 1.00 0.00 H new ATOM 0 HG12 VAL B 15 4.927 -4.365 -14.869 1.00 0.00 H new ATOM 0 HG13 VAL B 15 5.182 -3.128 -13.615 1.00 0.00 H new ATOM 0 HG21 VAL B 15 3.969 -0.804 -15.274 1.00 0.00 H new ATOM 0 HG22 VAL B 15 5.501 -0.653 -14.379 1.00 0.00 H new ATOM 0 HG23 VAL B 15 5.450 -0.303 -16.124 1.00 0.00 H new ATOM 707 N GLN B 16 7.310 -4.622 -14.447 1.00 0.00 N ATOM 708 CA GLN B 16 7.667 -6.016 -14.242 1.00 0.00 C ATOM 709 C GLN B 16 6.449 -6.914 -14.469 1.00 0.00 C ATOM 710 O GLN B 16 6.570 -7.997 -15.039 1.00 0.00 O ATOM 711 CB GLN B 16 8.254 -6.231 -12.846 1.00 0.00 C ATOM 712 CG GLN B 16 9.339 -5.196 -12.541 1.00 0.00 C ATOM 713 CD GLN B 16 10.682 -5.873 -12.262 1.00 0.00 C ATOM 714 OE1 GLN B 16 11.706 -5.538 -12.832 1.00 0.00 O ATOM 715 NE2 GLN B 16 10.619 -6.844 -11.355 1.00 0.00 N ATOM 0 H GLN B 16 7.097 -4.106 -13.593 1.00 0.00 H new ATOM 0 HA GLN B 16 8.434 -6.286 -14.968 1.00 0.00 H new ATOM 0 HB2 GLN B 16 7.462 -6.163 -12.100 1.00 0.00 H new ATOM 0 HB3 GLN B 16 8.674 -7.234 -12.775 1.00 0.00 H new ATOM 0 HG2 GLN B 16 9.441 -4.512 -13.384 1.00 0.00 H new ATOM 0 HG3 GLN B 16 9.044 -4.598 -11.679 1.00 0.00 H new ATOM 0 HE21 GLN B 16 9.728 -7.074 -10.915 1.00 0.00 H new ATOM 0 HE22 GLN B 16 11.462 -7.358 -11.099 1.00 0.00 H new ATOM 724 N LYS B 17 5.304 -6.431 -14.010 1.00 0.00 N ATOM 725 CA LYS B 17 4.065 -7.177 -14.155 1.00 0.00 C ATOM 726 C LYS B 17 4.157 -8.473 -13.347 1.00 0.00 C ATOM 727 O LYS B 17 5.242 -9.025 -13.174 1.00 0.00 O ATOM 728 CB LYS B 17 3.743 -7.396 -15.635 1.00 0.00 C ATOM 729 CG LYS B 17 2.965 -6.210 -16.209 1.00 0.00 C ATOM 730 CD LYS B 17 3.626 -5.687 -17.485 1.00 0.00 C ATOM 731 CE LYS B 17 5.124 -5.461 -17.274 1.00 0.00 C ATOM 732 NZ LYS B 17 5.911 -6.287 -18.217 1.00 0.00 N ATOM 0 H LYS B 17 5.208 -5.532 -13.537 1.00 0.00 H new ATOM 0 HA LYS B 17 3.228 -6.608 -13.750 1.00 0.00 H new ATOM 0 HB2 LYS B 17 4.668 -7.534 -16.195 1.00 0.00 H new ATOM 0 HB3 LYS B 17 3.160 -8.309 -15.753 1.00 0.00 H new ATOM 0 HG2 LYS B 17 1.940 -6.513 -16.424 1.00 0.00 H new ATOM 0 HG3 LYS B 17 2.913 -5.412 -15.469 1.00 0.00 H new ATOM 0 HD2 LYS B 17 3.473 -6.399 -18.296 1.00 0.00 H new ATOM 0 HD3 LYS B 17 3.153 -4.753 -17.787 1.00 0.00 H new ATOM 0 HE2 LYS B 17 5.363 -4.407 -17.418 1.00 0.00 H new ATOM 0 HE3 LYS B 17 5.395 -5.712 -16.248 1.00 0.00 H new ATOM 0 HZ1 LYS B 17 6.925 -6.096 -18.083 1.00 0.00 H new ATOM 0 HZ2 LYS B 17 5.722 -7.294 -18.038 1.00 0.00 H new ATOM 0 HZ3 LYS B 17 5.640 -6.052 -19.193 1.00 0.00 H new ATOM 746 N PHE B 18 3.003 -8.920 -12.874 1.00 0.00 N ATOM 747 CA PHE B 18 2.940 -10.141 -12.088 1.00 0.00 C ATOM 748 C PHE B 18 1.510 -10.684 -12.033 1.00 0.00 C ATOM 749 O PHE B 18 0.724 -10.287 -11.175 1.00 0.00 O ATOM 750 CB PHE B 18 3.391 -9.784 -10.670 1.00 0.00 C ATOM 751 CG PHE B 18 4.906 -9.630 -10.520 1.00 0.00 C ATOM 752 CD1 PHE B 18 5.690 -10.731 -10.367 1.00 0.00 C ATOM 753 CD2 PHE B 18 5.469 -8.392 -10.540 1.00 0.00 C ATOM 754 CE1 PHE B 18 7.096 -10.588 -10.227 1.00 0.00 C ATOM 755 CE2 PHE B 18 6.875 -8.249 -10.401 1.00 0.00 C ATOM 756 CZ PHE B 18 7.658 -9.350 -10.247 1.00 0.00 C ATOM 0 H PHE B 18 2.105 -8.459 -13.020 1.00 0.00 H new ATOM 0 HA PHE B 18 3.574 -10.905 -12.537 1.00 0.00 H new ATOM 0 HB2 PHE B 18 2.910 -8.853 -10.370 1.00 0.00 H new ATOM 0 HB3 PHE B 18 3.045 -10.557 -9.984 1.00 0.00 H new ATOM 0 HD1 PHE B 18 5.243 -11.714 -10.352 1.00 0.00 H new ATOM 0 HD2 PHE B 18 4.847 -7.518 -10.662 1.00 0.00 H new ATOM 0 HE1 PHE B 18 7.718 -11.462 -10.105 1.00 0.00 H new ATOM 0 HE2 PHE B 18 7.322 -7.266 -10.418 1.00 0.00 H new ATOM 0 HZ PHE B 18 8.727 -9.241 -10.140 1.00 0.00 H new ATOM 766 N ARG B 19 1.218 -11.584 -12.961 1.00 0.00 N ATOM 767 CA ARG B 19 -0.103 -12.185 -13.029 1.00 0.00 C ATOM 768 C ARG B 19 -0.317 -13.133 -11.847 1.00 0.00 C ATOM 769 O ARG B 19 0.191 -14.253 -11.846 1.00 0.00 O ATOM 770 CB ARG B 19 -0.288 -12.961 -14.335 1.00 0.00 C ATOM 771 CG ARG B 19 -1.770 -13.087 -14.693 1.00 0.00 C ATOM 772 CD ARG B 19 -2.333 -14.432 -14.228 1.00 0.00 C ATOM 773 NE ARG B 19 -2.433 -15.362 -15.375 1.00 0.00 N ATOM 774 CZ ARG B 19 -2.638 -16.681 -15.257 1.00 0.00 C ATOM 775 NH1 ARG B 19 -2.767 -17.233 -14.043 1.00 0.00 N ATOM 776 NH2 ARG B 19 -2.715 -17.448 -16.353 1.00 0.00 N ATOM 0 H ARG B 19 1.873 -11.911 -13.671 1.00 0.00 H new ATOM 0 HA ARG B 19 -0.836 -11.379 -12.990 1.00 0.00 H new ATOM 0 HB2 ARG B 19 0.243 -12.455 -15.141 1.00 0.00 H new ATOM 0 HB3 ARG B 19 0.152 -13.954 -14.238 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -2.330 -12.274 -14.230 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -1.897 -12.988 -15.771 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -1.690 -14.858 -13.458 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -3.316 -14.289 -13.779 1.00 0.00 H new ATOM 0 HE ARG B 19 -2.340 -14.975 -16.314 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -2.709 -16.649 -13.209 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -2.923 -18.237 -13.953 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -2.618 -17.028 -17.277 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -2.871 -18.452 -16.263 1.00 0.00 H new ATOM 790 N VAL B 20 -1.068 -12.648 -10.870 1.00 0.00 N ATOM 791 CA VAL B 20 -1.355 -13.438 -9.684 1.00 0.00 C ATOM 792 C VAL B 20 -2.869 -13.499 -9.471 1.00 0.00 C ATOM 793 O VAL B 20 -3.640 -13.180 -10.375 1.00 0.00 O ATOM 794 CB VAL B 20 -0.605 -12.866 -8.480 1.00 0.00 C ATOM 795 CG1 VAL B 20 0.848 -12.549 -8.840 1.00 0.00 C ATOM 796 CG2 VAL B 20 -1.315 -11.628 -7.928 1.00 0.00 C ATOM 0 H VAL B 20 -1.487 -11.718 -10.875 1.00 0.00 H new ATOM 0 HA VAL B 20 -1.003 -14.462 -9.813 1.00 0.00 H new ATOM 0 HB VAL B 20 -0.599 -13.625 -7.698 1.00 0.00 H new ATOM 0 HG11 VAL B 20 1.359 -12.144 -7.967 1.00 0.00 H new ATOM 0 HG12 VAL B 20 1.350 -13.461 -9.163 1.00 0.00 H new ATOM 0 HG13 VAL B 20 0.871 -11.816 -9.647 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -0.761 -11.242 -7.073 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -1.367 -10.863 -8.702 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -2.324 -11.896 -7.615 1.00 0.00 H new ATOM 806 N GLN B 21 -3.250 -13.910 -8.271 1.00 0.00 N ATOM 807 CA GLN B 21 -4.657 -14.017 -7.928 1.00 0.00 C ATOM 808 C GLN B 21 -5.060 -12.885 -6.980 1.00 0.00 C ATOM 809 O GLN B 21 -4.205 -12.153 -6.484 1.00 0.00 O ATOM 810 CB GLN B 21 -4.970 -15.383 -7.314 1.00 0.00 C ATOM 811 CG GLN B 21 -6.094 -16.084 -8.080 1.00 0.00 C ATOM 812 CD GLN B 21 -6.240 -17.539 -7.630 1.00 0.00 C ATOM 813 OE1 GLN B 21 -5.329 -18.143 -7.088 1.00 0.00 O ATOM 814 NE2 GLN B 21 -7.434 -18.066 -7.883 1.00 0.00 N ATOM 0 H GLN B 21 -2.608 -14.173 -7.523 1.00 0.00 H new ATOM 0 HA GLN B 21 -5.242 -13.924 -8.843 1.00 0.00 H new ATOM 0 HB2 GLN B 21 -4.075 -16.005 -7.325 1.00 0.00 H new ATOM 0 HB3 GLN B 21 -5.259 -15.259 -6.270 1.00 0.00 H new ATOM 0 HG2 GLN B 21 -7.033 -15.554 -7.920 1.00 0.00 H new ATOM 0 HG3 GLN B 21 -5.887 -16.049 -9.150 1.00 0.00 H new ATOM 0 HE21 GLN B 21 -8.153 -17.505 -8.340 1.00 0.00 H new ATOM 0 HE22 GLN B 21 -7.631 -19.032 -7.620 1.00 0.00 H new ATOM 823 N TYR B 22 -6.362 -12.777 -6.758 1.00 0.00 N ATOM 824 CA TYR B 22 -6.888 -11.747 -5.879 1.00 0.00 C ATOM 825 C TYR B 22 -7.795 -12.353 -4.805 1.00 0.00 C ATOM 826 O TYR B 22 -8.876 -12.853 -5.111 1.00 0.00 O ATOM 827 CB TYR B 22 -7.719 -10.819 -6.767 1.00 0.00 C ATOM 828 CG TYR B 22 -8.088 -9.490 -6.104 1.00 0.00 C ATOM 829 CD1 TYR B 22 -7.642 -9.207 -4.829 1.00 0.00 C ATOM 830 CD2 TYR B 22 -8.868 -8.575 -6.781 1.00 0.00 C ATOM 831 CE1 TYR B 22 -7.990 -7.957 -4.205 1.00 0.00 C ATOM 832 CE2 TYR B 22 -9.216 -7.324 -6.158 1.00 0.00 C ATOM 833 CZ TYR B 22 -8.760 -7.077 -4.901 1.00 0.00 C ATOM 834 OH TYR B 22 -9.088 -5.896 -4.312 1.00 0.00 O ATOM 0 H TYR B 22 -7.068 -13.386 -7.172 1.00 0.00 H new ATOM 0 HA TYR B 22 -6.077 -11.225 -5.372 1.00 0.00 H new ATOM 0 HB2 TYR B 22 -7.163 -10.615 -7.682 1.00 0.00 H new ATOM 0 HB3 TYR B 22 -8.634 -11.335 -7.058 1.00 0.00 H new ATOM 0 HD1 TYR B 22 -7.032 -9.923 -4.299 1.00 0.00 H new ATOM 0 HD2 TYR B 22 -9.218 -8.797 -7.778 1.00 0.00 H new ATOM 0 HE1 TYR B 22 -7.648 -7.723 -3.208 1.00 0.00 H new ATOM 0 HE2 TYR B 22 -9.825 -6.599 -6.677 1.00 0.00 H new ATOM 0 HH TYR B 22 -8.377 -5.631 -3.692 1.00 0.00 H new ATOM 844 N LEU B 23 -7.321 -12.287 -3.570 1.00 0.00 N ATOM 845 CA LEU B 23 -8.075 -12.823 -2.449 1.00 0.00 C ATOM 846 C LEU B 23 -9.224 -11.871 -2.112 1.00 0.00 C ATOM 847 O LEU B 23 -10.296 -12.308 -1.695 1.00 0.00 O ATOM 848 CB LEU B 23 -7.148 -13.111 -1.267 1.00 0.00 C ATOM 849 CG LEU B 23 -6.735 -14.572 -1.079 1.00 0.00 C ATOM 850 CD1 LEU B 23 -5.342 -14.827 -1.660 1.00 0.00 C ATOM 851 CD2 LEU B 23 -6.826 -14.982 0.392 1.00 0.00 C ATOM 0 H LEU B 23 -6.424 -11.870 -3.320 1.00 0.00 H new ATOM 0 HA LEU B 23 -8.521 -13.782 -2.714 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -6.245 -12.511 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -7.639 -12.773 -0.355 1.00 0.00 H new ATOM 0 HG LEU B 23 -7.434 -15.199 -1.632 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -5.072 -15.873 -1.513 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -5.345 -14.599 -2.726 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -4.615 -14.191 -1.155 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -6.527 -16.025 0.498 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -6.164 -14.352 0.987 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -7.852 -14.861 0.741 1.00 0.00 H new ATOM 863 N GLY B 24 -8.963 -10.586 -2.306 1.00 0.00 N ATOM 864 CA GLY B 24 -9.962 -9.569 -2.027 1.00 0.00 C ATOM 865 C GLY B 24 -9.410 -8.505 -1.075 1.00 0.00 C ATOM 866 O GLY B 24 -8.232 -8.533 -0.722 1.00 0.00 O ATOM 0 H GLY B 24 -8.074 -10.226 -2.653 1.00 0.00 H new ATOM 0 HA2 GLY B 24 -10.278 -9.100 -2.959 1.00 0.00 H new ATOM 0 HA3 GLY B 24 -10.845 -10.033 -1.587 1.00 0.00 H new ATOM 870 N MET B 25 -10.288 -7.593 -0.686 1.00 0.00 N ATOM 871 CA MET B 25 -9.904 -6.522 0.218 1.00 0.00 C ATOM 872 C MET B 25 -10.420 -6.789 1.634 1.00 0.00 C ATOM 873 O MET B 25 -11.608 -7.040 1.829 1.00 0.00 O ATOM 874 CB MET B 25 -10.472 -5.196 -0.291 1.00 0.00 C ATOM 875 CG MET B 25 -9.904 -4.016 0.502 1.00 0.00 C ATOM 876 SD MET B 25 -11.219 -2.901 0.963 1.00 0.00 S ATOM 877 CE MET B 25 -11.879 -3.768 2.376 1.00 0.00 C ATOM 0 H MET B 25 -11.264 -7.573 -0.980 1.00 0.00 H new ATOM 0 HA MET B 25 -8.816 -6.472 0.251 1.00 0.00 H new ATOM 0 HB2 MET B 25 -10.235 -5.076 -1.348 1.00 0.00 H new ATOM 0 HB3 MET B 25 -11.559 -5.206 -0.207 1.00 0.00 H new ATOM 0 HG2 MET B 25 -9.394 -4.379 1.394 1.00 0.00 H new ATOM 0 HG3 MET B 25 -9.162 -3.488 -0.097 1.00 0.00 H new ATOM 0 HE1 MET B 25 -12.552 -3.109 2.925 1.00 0.00 H new ATOM 0 HE2 MET B 25 -12.427 -4.648 2.039 1.00 0.00 H new ATOM 0 HE3 MET B 25 -11.062 -4.077 3.028 1.00 0.00 H new ATOM 887 N LEU B 26 -9.500 -6.725 2.586 1.00 0.00 N ATOM 888 CA LEU B 26 -9.847 -6.957 3.978 1.00 0.00 C ATOM 889 C LEU B 26 -9.656 -5.661 4.769 1.00 0.00 C ATOM 890 O LEU B 26 -8.637 -4.987 4.625 1.00 0.00 O ATOM 891 CB LEU B 26 -9.056 -8.141 4.537 1.00 0.00 C ATOM 892 CG LEU B 26 -9.886 -9.285 5.123 1.00 0.00 C ATOM 893 CD1 LEU B 26 -10.288 -8.986 6.569 1.00 0.00 C ATOM 894 CD2 LEU B 26 -11.100 -9.589 4.242 1.00 0.00 C ATOM 0 H LEU B 26 -8.515 -6.516 2.421 1.00 0.00 H new ATOM 0 HA LEU B 26 -10.897 -7.234 4.068 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -8.431 -8.543 3.740 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -8.385 -7.771 5.312 1.00 0.00 H new ATOM 0 HG LEU B 26 -9.267 -10.182 5.140 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -10.877 -9.815 6.962 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -9.392 -8.858 7.177 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -10.882 -8.072 6.600 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -11.673 -10.406 4.681 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -11.729 -8.702 4.171 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -10.764 -9.876 3.246 1.00 0.00 H new ATOM 906 N PRO B 27 -10.678 -5.343 5.608 1.00 0.00 N ATOM 907 CA PRO B 27 -10.632 -4.141 6.422 1.00 0.00 C ATOM 908 C PRO B 27 -9.672 -4.312 7.600 1.00 0.00 C ATOM 909 O PRO B 27 -9.661 -5.357 8.250 1.00 0.00 O ATOM 910 CB PRO B 27 -12.070 -3.904 6.856 1.00 0.00 C ATOM 911 CG PRO B 27 -12.787 -5.230 6.659 1.00 0.00 C ATOM 912 CD PRO B 27 -11.900 -6.118 5.803 1.00 0.00 C ATOM 0 HA PRO B 27 -10.247 -3.279 5.877 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -12.117 -3.585 7.897 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -12.533 -3.117 6.261 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -12.986 -5.703 7.621 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -13.751 -5.074 6.175 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -11.693 -7.066 6.299 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -12.376 -6.353 4.851 1.00 0.00 H new ATOM 920 N VAL B 28 -8.889 -3.271 7.841 1.00 0.00 N ATOM 921 CA VAL B 28 -7.927 -3.294 8.930 1.00 0.00 C ATOM 922 C VAL B 28 -8.149 -2.073 9.825 1.00 0.00 C ATOM 923 O VAL B 28 -9.103 -1.321 9.631 1.00 0.00 O ATOM 924 CB VAL B 28 -6.505 -3.375 8.371 1.00 0.00 C ATOM 925 CG1 VAL B 28 -6.352 -4.575 7.435 1.00 0.00 C ATOM 926 CG2 VAL B 28 -6.119 -2.074 7.664 1.00 0.00 C ATOM 0 H VAL B 28 -8.901 -2.406 7.301 1.00 0.00 H new ATOM 0 HA VAL B 28 -8.070 -4.181 9.547 1.00 0.00 H new ATOM 0 HB VAL B 28 -5.822 -3.515 9.209 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -5.332 -4.610 7.051 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -6.565 -5.493 7.983 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -7.050 -4.479 6.603 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -5.104 -2.158 7.276 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -6.808 -1.889 6.840 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -6.170 -1.247 8.372 1.00 0.00 H new ATOM 936 N ASP B 29 -7.252 -1.914 10.788 1.00 0.00 N ATOM 937 CA ASP B 29 -7.338 -0.798 11.714 1.00 0.00 C ATOM 938 C ASP B 29 -6.003 -0.051 11.730 1.00 0.00 C ATOM 939 O ASP B 29 -5.961 1.158 11.509 1.00 0.00 O ATOM 940 CB ASP B 29 -7.626 -1.283 13.136 1.00 0.00 C ATOM 941 CG ASP B 29 -8.917 -0.742 13.754 1.00 0.00 C ATOM 942 OD1 ASP B 29 -9.055 0.500 13.784 1.00 0.00 O ATOM 943 OD2 ASP B 29 -9.736 -1.583 14.184 1.00 0.00 O ATOM 0 H ASP B 29 -6.462 -2.540 10.947 1.00 0.00 H new ATOM 0 HA ASP B 29 -8.148 -0.148 11.384 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -7.672 -2.372 13.130 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -6.789 -1.003 13.776 1.00 0.00 H new ATOM 948 N ARG B 30 -4.944 -0.803 11.994 1.00 0.00 N ATOM 949 CA ARG B 30 -3.611 -0.227 12.042 1.00 0.00 C ATOM 950 C ARG B 30 -2.963 -0.270 10.657 1.00 0.00 C ATOM 951 O ARG B 30 -3.273 -1.146 9.850 1.00 0.00 O ATOM 952 CB ARG B 30 -2.722 -0.977 13.036 1.00 0.00 C ATOM 953 CG ARG B 30 -3.173 -0.721 14.476 1.00 0.00 C ATOM 954 CD ARG B 30 -2.836 0.706 14.911 1.00 0.00 C ATOM 955 NE ARG B 30 -3.396 0.972 16.255 1.00 0.00 N ATOM 956 CZ ARG B 30 -4.688 1.237 16.491 1.00 0.00 C ATOM 957 NH1 ARG B 30 -5.561 1.274 15.476 1.00 0.00 N ATOM 958 NH2 ARG B 30 -5.106 1.466 17.743 1.00 0.00 N ATOM 0 H ARG B 30 -4.982 -1.806 12.177 1.00 0.00 H new ATOM 0 HA ARG B 30 -3.710 0.808 12.369 1.00 0.00 H new ATOM 0 HB2 ARG B 30 -2.756 -2.046 12.825 1.00 0.00 H new ATOM 0 HB3 ARG B 30 -1.686 -0.661 12.914 1.00 0.00 H new ATOM 0 HG2 ARG B 30 -4.247 -0.886 14.559 1.00 0.00 H new ATOM 0 HG3 ARG B 30 -2.688 -1.433 15.144 1.00 0.00 H new ATOM 0 HD2 ARG B 30 -1.755 0.845 14.925 1.00 0.00 H new ATOM 0 HD3 ARG B 30 -3.240 1.419 14.192 1.00 0.00 H new ATOM 0 HE ARG B 30 -2.759 0.952 17.051 1.00 0.00 H new ATOM 0 HH11 ARG B 30 -5.242 1.100 14.523 1.00 0.00 H new ATOM 0 HH12 ARG B 30 -6.544 1.476 15.656 1.00 0.00 H new ATOM 0 HH21 ARG B 30 -4.441 1.439 18.516 1.00 0.00 H new ATOM 0 HH22 ARG B 30 -6.089 1.668 17.923 1.00 0.00 H new ATOM 972 N PRO B 31 -2.053 0.711 10.417 1.00 0.00 N ATOM 973 CA PRO B 31 -1.359 0.793 9.143 1.00 0.00 C ATOM 974 C PRO B 31 -0.278 -0.284 9.037 1.00 0.00 C ATOM 975 O PRO B 31 0.048 -0.737 7.940 1.00 0.00 O ATOM 976 CB PRO B 31 -0.798 2.205 9.090 1.00 0.00 C ATOM 977 CG PRO B 31 -0.799 2.707 10.525 1.00 0.00 C ATOM 978 CD PRO B 31 -1.661 1.765 11.348 1.00 0.00 C ATOM 0 HA PRO B 31 -2.017 0.608 8.294 1.00 0.00 H new ATOM 0 HB2 PRO B 31 0.210 2.210 8.675 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -1.408 2.844 8.452 1.00 0.00 H new ATOM 0 HG2 PRO B 31 0.217 2.737 10.919 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -1.190 3.723 10.574 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -1.107 1.359 12.195 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -2.532 2.279 11.754 1.00 0.00 H new ATOM 986 N VAL B 32 0.250 -0.663 10.191 1.00 0.00 N ATOM 987 CA VAL B 32 1.288 -1.678 10.243 1.00 0.00 C ATOM 988 C VAL B 32 0.909 -2.738 11.279 1.00 0.00 C ATOM 989 O VAL B 32 0.086 -2.485 12.158 1.00 0.00 O ATOM 990 CB VAL B 32 2.644 -1.027 10.522 1.00 0.00 C ATOM 991 CG1 VAL B 32 2.984 0.013 9.452 1.00 0.00 C ATOM 992 CG2 VAL B 32 2.676 -0.406 11.920 1.00 0.00 C ATOM 0 H VAL B 32 -0.022 -0.285 11.098 1.00 0.00 H new ATOM 0 HA VAL B 32 1.377 -2.182 9.281 1.00 0.00 H new ATOM 0 HB VAL B 32 3.404 -1.807 10.484 1.00 0.00 H new ATOM 0 HG11 VAL B 32 3.953 0.460 9.674 1.00 0.00 H new ATOM 0 HG12 VAL B 32 3.023 -0.469 8.475 1.00 0.00 H new ATOM 0 HG13 VAL B 32 2.219 0.790 9.443 1.00 0.00 H new ATOM 0 HG21 VAL B 32 3.651 0.050 12.093 1.00 0.00 H new ATOM 0 HG22 VAL B 32 1.900 0.356 11.998 1.00 0.00 H new ATOM 0 HG23 VAL B 32 2.500 -1.181 12.666 1.00 0.00 H new ATOM 1002 N GLY B 33 1.526 -3.902 11.141 1.00 0.00 N ATOM 1003 CA GLY B 33 1.263 -5.001 12.055 1.00 0.00 C ATOM 1004 C GLY B 33 0.878 -6.269 11.290 1.00 0.00 C ATOM 1005 O GLY B 33 0.058 -6.222 10.375 1.00 0.00 O ATOM 0 H GLY B 33 2.207 -4.108 10.410 1.00 0.00 H new ATOM 0 HA2 GLY B 33 2.147 -5.193 12.663 1.00 0.00 H new ATOM 0 HA3 GLY B 33 0.460 -4.726 12.739 1.00 0.00 H new ATOM 1009 N MET B 34 1.488 -7.374 11.695 1.00 0.00 N ATOM 1010 CA MET B 34 1.220 -8.652 11.059 1.00 0.00 C ATOM 1011 C MET B 34 -0.114 -9.232 11.536 1.00 0.00 C ATOM 1012 O MET B 34 -0.881 -9.769 10.738 1.00 0.00 O ATOM 1013 CB MET B 34 2.348 -9.632 11.386 1.00 0.00 C ATOM 1014 CG MET B 34 3.681 -9.144 10.815 1.00 0.00 C ATOM 1015 SD MET B 34 3.673 -9.289 9.036 1.00 0.00 S ATOM 1016 CE MET B 34 4.012 -11.034 8.867 1.00 0.00 C ATOM 0 H MET B 34 2.167 -7.410 12.456 1.00 0.00 H new ATOM 0 HA MET B 34 1.163 -8.496 9.982 1.00 0.00 H new ATOM 0 HB2 MET B 34 2.432 -9.748 12.467 1.00 0.00 H new ATOM 0 HB3 MET B 34 2.111 -10.614 10.977 1.00 0.00 H new ATOM 0 HG2 MET B 34 3.851 -8.107 11.103 1.00 0.00 H new ATOM 0 HG3 MET B 34 4.501 -9.729 11.232 1.00 0.00 H new ATOM 0 HE1 MET B 34 3.365 -11.458 8.099 1.00 0.00 H new ATOM 0 HE2 MET B 34 5.055 -11.176 8.582 1.00 0.00 H new ATOM 0 HE3 MET B 34 3.824 -11.535 9.817 1.00 0.00 H new ATOM 1026 N ASP B 35 -0.348 -9.103 12.833 1.00 0.00 N ATOM 1027 CA ASP B 35 -1.576 -9.608 13.425 1.00 0.00 C ATOM 1028 C ASP B 35 -2.774 -9.073 12.638 1.00 0.00 C ATOM 1029 O ASP B 35 -3.835 -9.694 12.618 1.00 0.00 O ATOM 1030 CB ASP B 35 -1.718 -9.144 14.876 1.00 0.00 C ATOM 1031 CG ASP B 35 -1.951 -10.264 15.893 1.00 0.00 C ATOM 1032 OD1 ASP B 35 -0.963 -10.964 16.202 1.00 0.00 O ATOM 1033 OD2 ASP B 35 -3.112 -10.394 16.338 1.00 0.00 O ATOM 0 H ASP B 35 0.291 -8.657 13.491 1.00 0.00 H new ATOM 0 HA ASP B 35 -1.542 -10.697 13.396 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -0.817 -8.600 15.158 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -2.548 -8.440 14.937 1.00 0.00 H new ATOM 1038 N THR B 36 -2.564 -7.925 12.010 1.00 0.00 N ATOM 1039 CA THR B 36 -3.613 -7.299 11.223 1.00 0.00 C ATOM 1040 C THR B 36 -3.554 -7.784 9.774 1.00 0.00 C ATOM 1041 O THR B 36 -4.586 -7.918 9.118 1.00 0.00 O ATOM 1042 CB THR B 36 -3.469 -5.783 11.364 1.00 0.00 C ATOM 1043 OG1 THR B 36 -3.863 -5.519 12.708 1.00 0.00 O ATOM 1044 CG2 THR B 36 -4.489 -5.017 10.519 1.00 0.00 C ATOM 0 H THR B 36 -1.683 -7.412 12.030 1.00 0.00 H new ATOM 0 HA THR B 36 -4.602 -7.580 11.586 1.00 0.00 H new ATOM 0 HB THR B 36 -2.461 -5.486 11.074 1.00 0.00 H new ATOM 0 HG1 THR B 36 -3.798 -4.557 12.885 1.00 0.00 H new ATOM 0 HG21 THR B 36 -4.343 -3.945 10.656 1.00 0.00 H new ATOM 0 HG22 THR B 36 -4.354 -5.270 9.468 1.00 0.00 H new ATOM 0 HG23 THR B 36 -5.497 -5.289 10.831 1.00 0.00 H new ATOM 1052 N LEU B 37 -2.336 -8.033 9.316 1.00 0.00 N ATOM 1053 CA LEU B 37 -2.129 -8.500 7.955 1.00 0.00 C ATOM 1054 C LEU B 37 -2.653 -9.932 7.827 1.00 0.00 C ATOM 1055 O LEU B 37 -3.553 -10.198 7.031 1.00 0.00 O ATOM 1056 CB LEU B 37 -0.661 -8.344 7.553 1.00 0.00 C ATOM 1057 CG LEU B 37 -0.319 -8.707 6.107 1.00 0.00 C ATOM 1058 CD1 LEU B 37 -0.553 -7.517 5.174 1.00 0.00 C ATOM 1059 CD2 LEU B 37 1.108 -9.248 5.999 1.00 0.00 C ATOM 0 H LEU B 37 -1.482 -7.920 9.863 1.00 0.00 H new ATOM 0 HA LEU B 37 -2.695 -7.889 7.252 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -0.366 -7.309 7.726 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -0.056 -8.964 8.215 1.00 0.00 H new ATOM 0 HG LEU B 37 -0.990 -9.505 5.787 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -0.302 -7.801 4.152 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -1.600 -7.218 5.221 1.00 0.00 H new ATOM 0 HD13 LEU B 37 0.077 -6.683 5.483 1.00 0.00 H new ATOM 0 HD21 LEU B 37 1.325 -9.498 4.960 1.00 0.00 H new ATOM 0 HD22 LEU B 37 1.811 -8.490 6.344 1.00 0.00 H new ATOM 0 HD23 LEU B 37 1.206 -10.142 6.615 1.00 0.00 H new ATOM 1071 N ASN B 38 -2.068 -10.816 8.621 1.00 0.00 N ATOM 1072 CA ASN B 38 -2.465 -12.213 8.606 1.00 0.00 C ATOM 1073 C ASN B 38 -3.988 -12.308 8.722 1.00 0.00 C ATOM 1074 O ASN B 38 -4.639 -12.945 7.895 1.00 0.00 O ATOM 1075 CB ASN B 38 -1.854 -12.973 9.785 1.00 0.00 C ATOM 1076 CG ASN B 38 -0.755 -13.927 9.312 1.00 0.00 C ATOM 1077 OD1 ASN B 38 -0.992 -14.871 8.576 1.00 0.00 O ATOM 1078 ND2 ASN B 38 0.456 -13.630 9.774 1.00 0.00 N ATOM 0 H ASN B 38 -1.322 -10.592 9.279 1.00 0.00 H new ATOM 0 HA ASN B 38 -2.114 -12.652 7.672 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -1.441 -12.265 10.504 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -2.631 -13.536 10.302 1.00 0.00 H new ATOM 0 HD21 ASN B 38 1.256 -14.207 9.516 1.00 0.00 H new ATOM 0 HD22 ASN B 38 0.585 -12.825 10.387 1.00 0.00 H new ATOM 1085 N SER B 39 -4.512 -11.664 9.754 1.00 0.00 N ATOM 1086 CA SER B 39 -5.946 -11.667 9.989 1.00 0.00 C ATOM 1087 C SER B 39 -6.694 -11.571 8.658 1.00 0.00 C ATOM 1088 O SER B 39 -7.603 -12.358 8.394 1.00 0.00 O ATOM 1089 CB SER B 39 -6.356 -10.518 10.913 1.00 0.00 C ATOM 1090 OG SER B 39 -6.954 -10.989 12.117 1.00 0.00 O ATOM 0 H SER B 39 -3.969 -11.136 10.437 1.00 0.00 H new ATOM 0 HA SER B 39 -6.210 -12.603 10.480 1.00 0.00 H new ATOM 0 HB2 SER B 39 -5.480 -9.917 11.155 1.00 0.00 H new ATOM 0 HB3 SER B 39 -7.056 -9.866 10.391 1.00 0.00 H new ATOM 0 HG SER B 39 -7.200 -10.226 12.680 1.00 0.00 H new ATOM 1096 N ALA B 40 -6.285 -10.601 7.854 1.00 0.00 N ATOM 1097 CA ALA B 40 -6.905 -10.392 6.557 1.00 0.00 C ATOM 1098 C ALA B 40 -6.748 -11.657 5.712 1.00 0.00 C ATOM 1099 O ALA B 40 -7.736 -12.222 5.245 1.00 0.00 O ATOM 1100 CB ALA B 40 -6.287 -9.162 5.888 1.00 0.00 C ATOM 0 H ALA B 40 -5.531 -9.951 8.076 1.00 0.00 H new ATOM 0 HA ALA B 40 -7.972 -10.201 6.668 1.00 0.00 H new ATOM 0 HB1 ALA B 40 -6.752 -9.005 4.915 1.00 0.00 H new ATOM 0 HB2 ALA B 40 -6.452 -8.286 6.515 1.00 0.00 H new ATOM 0 HB3 ALA B 40 -5.216 -9.318 5.757 1.00 0.00 H new ATOM 1106 N ILE B 41 -5.499 -12.064 5.540 1.00 0.00 N ATOM 1107 CA ILE B 41 -5.200 -13.252 4.759 1.00 0.00 C ATOM 1108 C ILE B 41 -6.094 -14.403 5.225 1.00 0.00 C ATOM 1109 O ILE B 41 -6.684 -15.106 4.407 1.00 0.00 O ATOM 1110 CB ILE B 41 -3.705 -13.571 4.820 1.00 0.00 C ATOM 1111 CG1 ILE B 41 -2.877 -12.438 4.211 1.00 0.00 C ATOM 1112 CG2 ILE B 41 -3.404 -14.919 4.161 1.00 0.00 C ATOM 1113 CD1 ILE B 41 -1.477 -12.389 4.828 1.00 0.00 C ATOM 0 H ILE B 41 -4.682 -11.592 5.928 1.00 0.00 H new ATOM 0 HA ILE B 41 -5.423 -13.081 3.706 1.00 0.00 H new ATOM 0 HB ILE B 41 -3.416 -13.653 5.868 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -2.798 -12.579 3.133 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -3.383 -11.486 4.372 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -2.334 -15.121 4.218 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -3.951 -15.707 4.679 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -3.712 -14.890 3.116 1.00 0.00 H new ATOM 0 HD11 ILE B 41 -0.909 -11.575 4.378 1.00 0.00 H new ATOM 0 HD12 ILE B 41 -1.558 -12.224 5.902 1.00 0.00 H new ATOM 0 HD13 ILE B 41 -0.965 -13.334 4.644 1.00 0.00 H new ATOM 1125 N GLU B 42 -6.166 -14.559 6.539 1.00 0.00 N ATOM 1126 CA GLU B 42 -6.978 -15.612 7.124 1.00 0.00 C ATOM 1127 C GLU B 42 -8.453 -15.399 6.778 1.00 0.00 C ATOM 1128 O GLU B 42 -9.139 -16.334 6.368 1.00 0.00 O ATOM 1129 CB GLU B 42 -6.775 -15.683 8.639 1.00 0.00 C ATOM 1130 CG GLU B 42 -5.461 -16.385 8.984 1.00 0.00 C ATOM 1131 CD GLU B 42 -5.599 -17.208 10.267 1.00 0.00 C ATOM 1132 OE1 GLU B 42 -6.658 -17.856 10.415 1.00 0.00 O ATOM 1133 OE2 GLU B 42 -4.643 -17.170 11.072 1.00 0.00 O ATOM 0 H GLU B 42 -5.675 -13.974 7.215 1.00 0.00 H new ATOM 0 HA GLU B 42 -6.660 -16.566 6.703 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -6.774 -14.676 9.057 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -7.608 -16.217 9.096 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -5.165 -17.035 8.161 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -4.670 -15.645 9.106 1.00 0.00 H new ATOM 1140 N ASN B 43 -8.898 -14.164 6.955 1.00 0.00 N ATOM 1141 CA ASN B 43 -10.279 -13.817 6.667 1.00 0.00 C ATOM 1142 C ASN B 43 -10.602 -14.190 5.219 1.00 0.00 C ATOM 1143 O ASN B 43 -11.425 -15.070 4.970 1.00 0.00 O ATOM 1144 CB ASN B 43 -10.515 -12.314 6.831 1.00 0.00 C ATOM 1145 CG ASN B 43 -11.857 -12.041 7.512 1.00 0.00 C ATOM 1146 OD1 ASN B 43 -11.798 -11.129 8.479 1.00 0.00 O flip ATOM 1147 ND2 ASN B 43 -12.879 -12.620 7.183 1.00 0.00 N flip ATOM 0 H ASN B 43 -8.326 -13.391 7.295 1.00 0.00 H new ATOM 0 HA ASN B 43 -10.916 -14.361 7.365 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -9.709 -11.878 7.421 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -10.494 -11.830 5.854 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -12.855 -13.310 6.432 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -13.757 -12.414 7.659 1.00 0.00 H new ATOM 1154 N LEU B 44 -9.937 -13.504 4.301 1.00 0.00 N ATOM 1155 CA LEU B 44 -10.143 -13.753 2.885 1.00 0.00 C ATOM 1156 C LEU B 44 -10.042 -15.255 2.615 1.00 0.00 C ATOM 1157 O LEU B 44 -10.947 -15.847 2.029 1.00 0.00 O ATOM 1158 CB LEU B 44 -9.178 -12.911 2.047 1.00 0.00 C ATOM 1159 CG LEU B 44 -9.579 -11.451 1.826 1.00 0.00 C ATOM 1160 CD1 LEU B 44 -8.503 -10.700 1.041 1.00 0.00 C ATOM 1161 CD2 LEU B 44 -10.951 -11.355 1.155 1.00 0.00 C ATOM 0 H LEU B 44 -9.255 -12.775 4.511 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.144 -13.442 2.586 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -8.200 -12.930 2.528 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -9.064 -13.387 1.073 1.00 0.00 H new ATOM 0 HG LEU B 44 -9.662 -10.968 2.800 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -8.813 -9.665 0.898 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.565 -10.724 1.595 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.363 -11.175 0.070 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -11.212 -10.307 1.009 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -10.920 -11.859 0.189 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -11.700 -11.831 1.788 1.00 0.00 H new ATOM 1173 N MET B 45 -8.932 -15.830 3.056 1.00 0.00 N ATOM 1174 CA MET B 45 -8.701 -17.252 2.870 1.00 0.00 C ATOM 1175 C MET B 45 -10.000 -18.044 3.029 1.00 0.00 C ATOM 1176 O MET B 45 -10.491 -18.638 2.070 1.00 0.00 O ATOM 1177 CB MET B 45 -7.676 -17.741 3.895 1.00 0.00 C ATOM 1178 CG MET B 45 -6.257 -17.670 3.328 1.00 0.00 C ATOM 1179 SD MET B 45 -5.994 -19.005 2.172 1.00 0.00 S ATOM 1180 CE MET B 45 -4.702 -18.294 1.167 1.00 0.00 C ATOM 0 H MET B 45 -8.183 -15.336 3.542 1.00 0.00 H new ATOM 0 HA MET B 45 -8.322 -17.410 1.860 1.00 0.00 H new ATOM 0 HB2 MET B 45 -7.741 -17.134 4.798 1.00 0.00 H new ATOM 0 HB3 MET B 45 -7.905 -18.767 4.183 1.00 0.00 H new ATOM 0 HG2 MET B 45 -6.102 -16.712 2.831 1.00 0.00 H new ATOM 0 HG3 MET B 45 -5.530 -17.730 4.138 1.00 0.00 H new ATOM 0 HE1 MET B 45 -4.877 -18.543 0.120 1.00 0.00 H new ATOM 0 HE2 MET B 45 -4.702 -17.211 1.287 1.00 0.00 H new ATOM 0 HE3 MET B 45 -3.737 -18.693 1.479 1.00 0.00 H new ATOM 1190 N THR B 46 -10.520 -18.028 4.248 1.00 0.00 N ATOM 1191 CA THR B 46 -11.753 -18.738 4.545 1.00 0.00 C ATOM 1192 C THR B 46 -12.938 -18.059 3.855 1.00 0.00 C ATOM 1193 O THR B 46 -13.697 -18.707 3.135 1.00 0.00 O ATOM 1194 CB THR B 46 -11.899 -18.816 6.066 1.00 0.00 C ATOM 1195 OG1 THR B 46 -13.159 -19.451 6.261 1.00 0.00 O ATOM 1196 CG2 THR B 46 -12.071 -17.439 6.710 1.00 0.00 C ATOM 0 H THR B 46 -10.110 -17.535 5.041 1.00 0.00 H new ATOM 0 HA THR B 46 -11.728 -19.755 4.154 1.00 0.00 H new ATOM 0 HB THR B 46 -11.023 -19.307 6.490 1.00 0.00 H new ATOM 0 HG1 THR B 46 -13.334 -19.544 7.221 1.00 0.00 H new ATOM 0 HG21 THR B 46 -12.170 -17.552 7.790 1.00 0.00 H new ATOM 0 HG22 THR B 46 -11.200 -16.822 6.488 1.00 0.00 H new ATOM 0 HG23 THR B 46 -12.966 -16.960 6.312 1.00 0.00 H new ATOM 1204 N SER B 47 -13.061 -16.763 4.100 1.00 0.00 N ATOM 1205 CA SER B 47 -14.141 -15.989 3.511 1.00 0.00 C ATOM 1206 C SER B 47 -14.420 -16.478 2.089 1.00 0.00 C ATOM 1207 O SER B 47 -15.414 -17.161 1.847 1.00 0.00 O ATOM 1208 CB SER B 47 -13.808 -14.496 3.504 1.00 0.00 C ATOM 1209 OG SER B 47 -14.215 -13.852 4.709 1.00 0.00 O ATOM 0 H SER B 47 -12.431 -16.229 4.698 1.00 0.00 H new ATOM 0 HA SER B 47 -15.035 -16.131 4.119 1.00 0.00 H new ATOM 0 HB2 SER B 47 -12.735 -14.365 3.368 1.00 0.00 H new ATOM 0 HB3 SER B 47 -14.298 -14.019 2.655 1.00 0.00 H new ATOM 0 HG SER B 47 -13.983 -12.901 4.666 1.00 0.00 H new ATOM 1215 N SER B 48 -13.525 -16.109 1.184 1.00 0.00 N ATOM 1216 CA SER B 48 -13.663 -16.501 -0.208 1.00 0.00 C ATOM 1217 C SER B 48 -12.925 -17.819 -0.456 1.00 0.00 C ATOM 1218 O SER B 48 -12.109 -18.240 0.362 1.00 0.00 O ATOM 1219 CB SER B 48 -13.131 -15.412 -1.142 1.00 0.00 C ATOM 1220 OG SER B 48 -13.927 -14.231 -1.092 1.00 0.00 O ATOM 0 H SER B 48 -12.702 -15.543 1.388 1.00 0.00 H new ATOM 0 HA SER B 48 -14.723 -16.639 -0.421 1.00 0.00 H new ATOM 0 HB2 SER B 48 -12.104 -15.169 -0.868 1.00 0.00 H new ATOM 0 HB3 SER B 48 -13.107 -15.790 -2.164 1.00 0.00 H new ATOM 0 HG SER B 48 -13.554 -13.559 -1.700 1.00 0.00 H new ATOM 1226 N SER B 49 -13.239 -18.432 -1.587 1.00 0.00 N ATOM 1227 CA SER B 49 -12.617 -19.693 -1.953 1.00 0.00 C ATOM 1228 C SER B 49 -11.321 -19.433 -2.723 1.00 0.00 C ATOM 1229 O SER B 49 -10.978 -18.284 -2.998 1.00 0.00 O ATOM 1230 CB SER B 49 -13.567 -20.555 -2.787 1.00 0.00 C ATOM 1231 OG SER B 49 -14.768 -20.860 -2.084 1.00 0.00 O ATOM 0 H SER B 49 -13.917 -18.079 -2.263 1.00 0.00 H new ATOM 0 HA SER B 49 -12.385 -20.238 -1.038 1.00 0.00 H new ATOM 0 HB2 SER B 49 -13.811 -20.034 -3.713 1.00 0.00 H new ATOM 0 HB3 SER B 49 -13.065 -21.481 -3.066 1.00 0.00 H new ATOM 0 HG SER B 49 -15.348 -21.410 -2.651 1.00 0.00 H new ATOM 1237 N LYS B 50 -10.636 -20.519 -3.050 1.00 0.00 N ATOM 1238 CA LYS B 50 -9.385 -20.422 -3.783 1.00 0.00 C ATOM 1239 C LYS B 50 -9.685 -20.189 -5.266 1.00 0.00 C ATOM 1240 O LYS B 50 -8.966 -19.453 -5.939 1.00 0.00 O ATOM 1241 CB LYS B 50 -8.513 -21.651 -3.518 1.00 0.00 C ATOM 1242 CG LYS B 50 -7.589 -21.934 -4.705 1.00 0.00 C ATOM 1243 CD LYS B 50 -6.291 -22.598 -4.243 1.00 0.00 C ATOM 1244 CE LYS B 50 -5.130 -21.601 -4.255 1.00 0.00 C ATOM 1245 NZ LYS B 50 -3.967 -22.167 -4.974 1.00 0.00 N ATOM 0 H LYS B 50 -10.924 -21.470 -2.821 1.00 0.00 H new ATOM 0 HA LYS B 50 -8.805 -19.567 -3.436 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -7.918 -21.492 -2.619 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -9.147 -22.518 -3.331 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -8.098 -22.580 -5.420 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -7.361 -21.002 -5.223 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -6.421 -22.998 -3.237 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -6.058 -23.441 -4.894 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -5.445 -20.674 -4.734 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -4.847 -21.352 -3.232 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -3.092 -21.739 -4.610 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -3.936 -23.196 -4.828 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -4.055 -21.964 -5.990 1.00 0.00 H new ATOM 1259 N GLU B 51 -10.747 -20.830 -5.730 1.00 0.00 N ATOM 1260 CA GLU B 51 -11.151 -20.702 -7.120 1.00 0.00 C ATOM 1261 C GLU B 51 -11.871 -19.370 -7.343 1.00 0.00 C ATOM 1262 O GLU B 51 -11.885 -18.847 -8.456 1.00 0.00 O ATOM 1263 CB GLU B 51 -12.030 -21.879 -7.546 1.00 0.00 C ATOM 1264 CG GLU B 51 -11.248 -23.193 -7.500 1.00 0.00 C ATOM 1265 CD GLU B 51 -11.454 -23.999 -8.784 1.00 0.00 C ATOM 1266 OE1 GLU B 51 -10.807 -23.638 -9.791 1.00 0.00 O ATOM 1267 OE2 GLU B 51 -12.254 -24.958 -8.730 1.00 0.00 O ATOM 0 H GLU B 51 -11.341 -21.440 -5.168 1.00 0.00 H new ATOM 0 HA GLU B 51 -10.256 -20.717 -7.741 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -12.898 -21.945 -6.890 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -12.405 -21.710 -8.555 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -10.187 -22.984 -7.364 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -11.570 -23.782 -6.641 1.00 0.00 H new ATOM 1274 N ASP B 52 -12.451 -18.860 -6.266 1.00 0.00 N ATOM 1275 CA ASP B 52 -13.171 -17.600 -6.330 1.00 0.00 C ATOM 1276 C ASP B 52 -12.188 -16.472 -6.653 1.00 0.00 C ATOM 1277 O ASP B 52 -12.527 -15.537 -7.376 1.00 0.00 O ATOM 1278 CB ASP B 52 -13.837 -17.277 -4.991 1.00 0.00 C ATOM 1279 CG ASP B 52 -15.345 -17.531 -4.941 1.00 0.00 C ATOM 1280 OD1 ASP B 52 -15.774 -18.524 -5.567 1.00 0.00 O ATOM 1281 OD2 ASP B 52 -16.034 -16.726 -4.278 1.00 0.00 O ATOM 0 H ASP B 52 -12.437 -19.297 -5.344 1.00 0.00 H new ATOM 0 HA ASP B 52 -13.936 -17.688 -7.101 1.00 0.00 H new ATOM 0 HB2 ASP B 52 -13.358 -17.870 -4.212 1.00 0.00 H new ATOM 0 HB3 ASP B 52 -13.652 -16.229 -4.754 1.00 0.00 H new ATOM 1286 N TRP B 53 -10.990 -16.598 -6.101 1.00 0.00 N ATOM 1287 CA TRP B 53 -9.956 -15.601 -6.321 1.00 0.00 C ATOM 1288 C TRP B 53 -9.754 -15.455 -7.831 1.00 0.00 C ATOM 1289 O TRP B 53 -9.245 -16.365 -8.483 1.00 0.00 O ATOM 1290 CB TRP B 53 -8.671 -15.971 -5.579 1.00 0.00 C ATOM 1291 CG TRP B 53 -8.883 -16.324 -4.105 1.00 0.00 C ATOM 1292 CD1 TRP B 53 -9.800 -15.830 -3.262 1.00 0.00 C ATOM 1293 CD2 TRP B 53 -8.121 -17.275 -3.331 1.00 0.00 C ATOM 1294 NE1 TRP B 53 -9.685 -16.390 -2.006 1.00 0.00 N ATOM 1295 CE2 TRP B 53 -8.632 -17.296 -2.049 1.00 0.00 C ATOM 1296 CE3 TRP B 53 -7.037 -18.089 -3.701 1.00 0.00 C ATOM 1297 CZ2 TRP B 53 -8.122 -18.115 -1.034 1.00 0.00 C ATOM 1298 CZ3 TRP B 53 -6.538 -18.901 -2.676 1.00 0.00 C ATOM 1299 CH2 TRP B 53 -7.041 -18.935 -1.380 1.00 0.00 C ATOM 0 H TRP B 53 -10.712 -17.375 -5.502 1.00 0.00 H new ATOM 0 HA TRP B 53 -10.258 -14.636 -5.915 1.00 0.00 H new ATOM 0 HB2 TRP B 53 -8.205 -16.818 -6.081 1.00 0.00 H new ATOM 0 HB3 TRP B 53 -7.972 -15.137 -5.645 1.00 0.00 H new ATOM 0 HD1 TRP B 53 -10.536 -15.087 -3.532 1.00 0.00 H new ATOM 0 HE1 TRP B 53 -10.266 -16.178 -1.195 1.00 0.00 H new ATOM 0 HE3 TRP B 53 -6.622 -18.088 -4.698 1.00 0.00 H new ATOM 0 HZ2 TRP B 53 -8.540 -18.114 -0.038 1.00 0.00 H new ATOM 0 HZ3 TRP B 53 -5.704 -19.546 -2.908 1.00 0.00 H new ATOM 0 HH2 TRP B 53 -6.600 -19.591 -0.644 1.00 0.00 H new ATOM 1310 N PRO B 54 -10.174 -14.273 -8.356 1.00 0.00 N ATOM 1311 CA PRO B 54 -10.044 -13.996 -9.776 1.00 0.00 C ATOM 1312 C PRO B 54 -8.592 -13.683 -10.143 1.00 0.00 C ATOM 1313 O PRO B 54 -7.826 -13.207 -9.307 1.00 0.00 O ATOM 1314 CB PRO B 54 -10.988 -12.834 -10.038 1.00 0.00 C ATOM 1315 CG PRO B 54 -11.259 -12.203 -8.682 1.00 0.00 C ATOM 1316 CD PRO B 54 -10.782 -13.172 -7.613 1.00 0.00 C ATOM 0 HA PRO B 54 -10.306 -14.852 -10.398 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -10.540 -12.113 -10.722 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -11.913 -13.179 -10.500 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -10.737 -11.250 -8.593 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -12.323 -11.997 -8.563 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -10.062 -12.701 -6.944 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -11.610 -13.520 -6.996 1.00 0.00 H new ATOM 1324 N SER B 55 -8.258 -13.963 -11.394 1.00 0.00 N ATOM 1325 CA SER B 55 -6.912 -13.716 -11.882 1.00 0.00 C ATOM 1326 C SER B 55 -6.743 -12.235 -12.226 1.00 0.00 C ATOM 1327 O SER B 55 -7.554 -11.667 -12.957 1.00 0.00 O ATOM 1328 CB SER B 55 -6.601 -14.584 -13.103 1.00 0.00 C ATOM 1329 OG SER B 55 -7.725 -14.706 -13.971 1.00 0.00 O ATOM 0 H SER B 55 -8.896 -14.359 -12.084 1.00 0.00 H new ATOM 0 HA SER B 55 -6.208 -13.981 -11.093 1.00 0.00 H new ATOM 0 HB2 SER B 55 -5.764 -14.152 -13.652 1.00 0.00 H new ATOM 0 HB3 SER B 55 -6.288 -15.575 -12.773 1.00 0.00 H new ATOM 0 HG SER B 55 -7.486 -15.266 -14.739 1.00 0.00 H new ATOM 1335 N VAL B 56 -5.684 -11.652 -11.684 1.00 0.00 N ATOM 1336 CA VAL B 56 -5.398 -10.247 -11.925 1.00 0.00 C ATOM 1337 C VAL B 56 -3.925 -10.089 -12.306 1.00 0.00 C ATOM 1338 O VAL B 56 -3.141 -11.027 -12.171 1.00 0.00 O ATOM 1339 CB VAL B 56 -5.792 -9.416 -10.702 1.00 0.00 C ATOM 1340 CG1 VAL B 56 -7.299 -9.492 -10.450 1.00 0.00 C ATOM 1341 CG2 VAL B 56 -5.006 -9.854 -9.465 1.00 0.00 C ATOM 0 H VAL B 56 -5.014 -12.126 -11.079 1.00 0.00 H new ATOM 0 HA VAL B 56 -5.991 -9.874 -12.760 1.00 0.00 H new ATOM 0 HB VAL B 56 -5.539 -8.376 -10.908 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -7.552 -8.893 -9.575 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -7.833 -9.109 -11.319 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -7.587 -10.529 -10.275 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -5.305 -9.247 -8.610 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -5.213 -10.903 -9.255 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -3.939 -9.724 -9.647 1.00 0.00 H new ATOM 1351 N ASN B 57 -3.593 -8.896 -12.776 1.00 0.00 N ATOM 1352 CA ASN B 57 -2.228 -8.603 -13.177 1.00 0.00 C ATOM 1353 C ASN B 57 -1.649 -7.527 -12.255 1.00 0.00 C ATOM 1354 O ASN B 57 -2.086 -6.378 -12.286 1.00 0.00 O ATOM 1355 CB ASN B 57 -2.177 -8.073 -14.612 1.00 0.00 C ATOM 1356 CG ASN B 57 -2.464 -9.188 -15.619 1.00 0.00 C ATOM 1357 OD1 ASN B 57 -2.368 -10.368 -15.322 1.00 0.00 O ATOM 1358 ND2 ASN B 57 -2.819 -8.751 -16.824 1.00 0.00 N ATOM 0 H ASN B 57 -4.246 -8.121 -12.888 1.00 0.00 H new ATOM 0 HA ASN B 57 -1.653 -9.526 -13.113 1.00 0.00 H new ATOM 0 HB2 ASN B 57 -2.906 -7.272 -14.734 1.00 0.00 H new ATOM 0 HB3 ASN B 57 -1.195 -7.643 -14.810 1.00 0.00 H new ATOM 0 HD21 ASN B 57 -3.030 -9.418 -17.566 1.00 0.00 H new ATOM 0 HD22 ASN B 57 -2.880 -7.749 -17.006 1.00 0.00 H new ATOM 1365 N MET B 58 -0.675 -7.939 -11.457 1.00 0.00 N ATOM 1366 CA MET B 58 -0.032 -7.026 -10.528 1.00 0.00 C ATOM 1367 C MET B 58 1.156 -6.321 -11.186 1.00 0.00 C ATOM 1368 O MET B 58 2.231 -6.903 -11.321 1.00 0.00 O ATOM 1369 CB MET B 58 0.450 -7.801 -9.301 1.00 0.00 C ATOM 1370 CG MET B 58 1.219 -6.889 -8.343 1.00 0.00 C ATOM 1371 SD MET B 58 0.127 -6.282 -7.069 1.00 0.00 S ATOM 1372 CE MET B 58 -0.020 -7.748 -6.062 1.00 0.00 C ATOM 0 H MET B 58 -0.316 -8.893 -11.435 1.00 0.00 H new ATOM 0 HA MET B 58 -0.759 -6.271 -10.229 1.00 0.00 H new ATOM 0 HB2 MET B 58 -0.404 -8.239 -8.785 1.00 0.00 H new ATOM 0 HB3 MET B 58 1.090 -8.626 -9.616 1.00 0.00 H new ATOM 0 HG2 MET B 58 2.047 -7.436 -7.893 1.00 0.00 H new ATOM 0 HG3 MET B 58 1.651 -6.052 -8.892 1.00 0.00 H new ATOM 0 HE1 MET B 58 -0.491 -7.492 -5.113 1.00 0.00 H new ATOM 0 HE2 MET B 58 -0.630 -8.487 -6.582 1.00 0.00 H new ATOM 0 HE3 MET B 58 0.971 -8.162 -5.875 1.00 0.00 H new ATOM 1382 N ASN B 59 0.922 -5.077 -11.579 1.00 0.00 N ATOM 1383 CA ASN B 59 1.959 -4.287 -12.219 1.00 0.00 C ATOM 1384 C ASN B 59 2.915 -3.748 -11.153 1.00 0.00 C ATOM 1385 O ASN B 59 2.478 -3.210 -10.137 1.00 0.00 O ATOM 1386 CB ASN B 59 1.360 -3.092 -12.964 1.00 0.00 C ATOM 1387 CG ASN B 59 0.760 -3.526 -14.303 1.00 0.00 C ATOM 1388 OD1 ASN B 59 0.654 -4.701 -14.614 1.00 0.00 O ATOM 1389 ND2 ASN B 59 0.373 -2.514 -15.075 1.00 0.00 N ATOM 0 H ASN B 59 0.029 -4.597 -11.466 1.00 0.00 H new ATOM 0 HA ASN B 59 2.483 -4.929 -12.928 1.00 0.00 H new ATOM 0 HB2 ASN B 59 0.590 -2.625 -12.350 1.00 0.00 H new ATOM 0 HB3 ASN B 59 2.131 -2.341 -13.133 1.00 0.00 H new ATOM 0 HD21 ASN B 59 -0.041 -2.699 -15.989 1.00 0.00 H new ATOM 0 HD22 ASN B 59 0.491 -1.553 -14.753 1.00 0.00 H new ATOM 1396 N VAL B 60 4.202 -3.912 -11.421 1.00 0.00 N ATOM 1397 CA VAL B 60 5.224 -3.449 -10.497 1.00 0.00 C ATOM 1398 C VAL B 60 6.319 -2.719 -11.278 1.00 0.00 C ATOM 1399 O VAL B 60 7.164 -3.353 -11.909 1.00 0.00 O ATOM 1400 CB VAL B 60 5.758 -4.624 -9.676 1.00 0.00 C ATOM 1401 CG1 VAL B 60 6.736 -4.142 -8.602 1.00 0.00 C ATOM 1402 CG2 VAL B 60 4.611 -5.424 -9.054 1.00 0.00 C ATOM 0 H VAL B 60 4.561 -4.359 -12.265 1.00 0.00 H new ATOM 0 HA VAL B 60 4.802 -2.738 -9.786 1.00 0.00 H new ATOM 0 HB VAL B 60 6.301 -5.286 -10.351 1.00 0.00 H new ATOM 0 HG11 VAL B 60 7.101 -4.997 -8.032 1.00 0.00 H new ATOM 0 HG12 VAL B 60 7.577 -3.636 -9.076 1.00 0.00 H new ATOM 0 HG13 VAL B 60 6.227 -3.449 -7.931 1.00 0.00 H new ATOM 0 HG21 VAL B 60 5.018 -6.254 -8.476 1.00 0.00 H new ATOM 0 HG22 VAL B 60 4.029 -4.776 -8.399 1.00 0.00 H new ATOM 0 HG23 VAL B 60 3.968 -5.813 -9.844 1.00 0.00 H new ATOM 1412 N ALA B 61 6.269 -1.397 -11.211 1.00 0.00 N ATOM 1413 CA ALA B 61 7.246 -0.575 -11.904 1.00 0.00 C ATOM 1414 C ALA B 61 8.273 -0.054 -10.897 1.00 0.00 C ATOM 1415 O ALA B 61 8.499 -0.672 -9.859 1.00 0.00 O ATOM 1416 CB ALA B 61 6.528 0.556 -12.644 1.00 0.00 C ATOM 0 H ALA B 61 5.567 -0.875 -10.687 1.00 0.00 H new ATOM 0 HA ALA B 61 7.783 -1.162 -12.649 1.00 0.00 H new ATOM 0 HB1 ALA B 61 7.261 1.173 -13.164 1.00 0.00 H new ATOM 0 HB2 ALA B 61 5.831 0.133 -13.367 1.00 0.00 H new ATOM 0 HB3 ALA B 61 5.980 1.169 -11.928 1.00 0.00 H new ATOM 1422 N ASP B 62 8.868 1.079 -11.241 1.00 0.00 N ATOM 1423 CA ASP B 62 9.867 1.691 -10.380 1.00 0.00 C ATOM 1424 C ASP B 62 9.434 1.544 -8.920 1.00 0.00 C ATOM 1425 O ASP B 62 10.023 0.769 -8.168 1.00 0.00 O ATOM 1426 CB ASP B 62 10.014 3.183 -10.681 1.00 0.00 C ATOM 1427 CG ASP B 62 10.994 3.932 -9.776 1.00 0.00 C ATOM 1428 OD1 ASP B 62 11.841 3.245 -9.165 1.00 0.00 O ATOM 1429 OD2 ASP B 62 10.874 5.175 -9.715 1.00 0.00 O ATOM 0 H ASP B 62 8.678 1.589 -12.104 1.00 0.00 H new ATOM 0 HA ASP B 62 10.819 1.191 -10.560 1.00 0.00 H new ATOM 0 HB2 ASP B 62 10.337 3.299 -11.716 1.00 0.00 H new ATOM 0 HB3 ASP B 62 9.034 3.653 -10.598 1.00 0.00 H new ATOM 1434 N ALA B 63 8.407 2.301 -8.561 1.00 0.00 N ATOM 1435 CA ALA B 63 7.888 2.265 -7.205 1.00 0.00 C ATOM 1436 C ALA B 63 6.365 2.412 -7.241 1.00 0.00 C ATOM 1437 O ALA B 63 5.825 3.423 -6.795 1.00 0.00 O ATOM 1438 CB ALA B 63 8.560 3.358 -6.372 1.00 0.00 C ATOM 0 H ALA B 63 7.921 2.943 -9.187 1.00 0.00 H new ATOM 0 HA ALA B 63 8.115 1.309 -6.733 1.00 0.00 H new ATOM 0 HB1 ALA B 63 8.171 3.331 -5.354 1.00 0.00 H new ATOM 0 HB2 ALA B 63 9.637 3.191 -6.353 1.00 0.00 H new ATOM 0 HB3 ALA B 63 8.352 4.332 -6.814 1.00 0.00 H new ATOM 1444 N THR B 64 5.717 1.389 -7.778 1.00 0.00 N ATOM 1445 CA THR B 64 4.267 1.392 -7.879 1.00 0.00 C ATOM 1446 C THR B 64 3.738 -0.038 -8.001 1.00 0.00 C ATOM 1447 O THR B 64 4.386 -0.895 -8.601 1.00 0.00 O ATOM 1448 CB THR B 64 3.877 2.287 -9.056 1.00 0.00 C ATOM 1449 OG1 THR B 64 4.461 3.548 -8.742 1.00 0.00 O ATOM 1450 CG2 THR B 64 2.375 2.573 -9.102 1.00 0.00 C ATOM 0 H THR B 64 6.169 0.553 -8.148 1.00 0.00 H new ATOM 0 HA THR B 64 3.808 1.798 -6.978 1.00 0.00 H new ATOM 0 HB THR B 64 4.185 1.814 -9.989 1.00 0.00 H new ATOM 0 HG1 THR B 64 4.533 3.642 -7.769 1.00 0.00 H new ATOM 0 HG21 THR B 64 2.152 3.212 -9.956 1.00 0.00 H new ATOM 0 HG22 THR B 64 1.829 1.635 -9.199 1.00 0.00 H new ATOM 0 HG23 THR B 64 2.072 3.076 -8.184 1.00 0.00 H new ATOM 1458 N VAL B 65 2.566 -0.253 -7.423 1.00 0.00 N ATOM 1459 CA VAL B 65 1.942 -1.565 -7.460 1.00 0.00 C ATOM 1460 C VAL B 65 0.471 -1.415 -7.852 1.00 0.00 C ATOM 1461 O VAL B 65 -0.358 -1.027 -7.030 1.00 0.00 O ATOM 1462 CB VAL B 65 2.133 -2.273 -6.117 1.00 0.00 C ATOM 1463 CG1 VAL B 65 1.205 -3.484 -5.999 1.00 0.00 C ATOM 1464 CG2 VAL B 65 3.594 -2.681 -5.915 1.00 0.00 C ATOM 0 H VAL B 65 2.031 0.459 -6.926 1.00 0.00 H new ATOM 0 HA VAL B 65 2.417 -2.192 -8.214 1.00 0.00 H new ATOM 0 HB VAL B 65 1.869 -1.570 -5.327 1.00 0.00 H new ATOM 0 HG11 VAL B 65 1.361 -3.969 -5.035 1.00 0.00 H new ATOM 0 HG12 VAL B 65 0.168 -3.157 -6.077 1.00 0.00 H new ATOM 0 HG13 VAL B 65 1.424 -4.190 -6.800 1.00 0.00 H new ATOM 0 HG21 VAL B 65 3.702 -3.182 -4.953 1.00 0.00 H new ATOM 0 HG22 VAL B 65 3.896 -3.359 -6.713 1.00 0.00 H new ATOM 0 HG23 VAL B 65 4.226 -1.793 -5.935 1.00 0.00 H new ATOM 1474 N THR B 66 0.191 -1.731 -9.108 1.00 0.00 N ATOM 1475 CA THR B 66 -1.165 -1.636 -9.620 1.00 0.00 C ATOM 1476 C THR B 66 -1.701 -3.025 -9.972 1.00 0.00 C ATOM 1477 O THR B 66 -0.946 -3.893 -10.408 1.00 0.00 O ATOM 1478 CB THR B 66 -1.157 -0.669 -10.806 1.00 0.00 C ATOM 1479 OG1 THR B 66 -0.502 0.492 -10.302 1.00 0.00 O ATOM 1480 CG2 THR B 66 -2.559 -0.177 -11.170 1.00 0.00 C ATOM 0 H THR B 66 0.881 -2.053 -9.786 1.00 0.00 H new ATOM 0 HA THR B 66 -1.845 -1.241 -8.865 1.00 0.00 H new ATOM 0 HB THR B 66 -0.709 -1.159 -11.670 1.00 0.00 H new ATOM 0 HG1 THR B 66 -0.452 1.171 -11.007 1.00 0.00 H new ATOM 0 HG21 THR B 66 -2.496 0.506 -12.017 1.00 0.00 H new ATOM 0 HG22 THR B 66 -3.186 -1.028 -11.436 1.00 0.00 H new ATOM 0 HG23 THR B 66 -2.995 0.342 -10.317 1.00 0.00 H new ATOM 1488 N VAL B 67 -3.000 -3.192 -9.770 1.00 0.00 N ATOM 1489 CA VAL B 67 -3.645 -4.461 -10.061 1.00 0.00 C ATOM 1490 C VAL B 67 -4.653 -4.267 -11.196 1.00 0.00 C ATOM 1491 O VAL B 67 -5.779 -3.830 -10.963 1.00 0.00 O ATOM 1492 CB VAL B 67 -4.278 -5.029 -8.790 1.00 0.00 C ATOM 1493 CG1 VAL B 67 -5.095 -6.286 -9.099 1.00 0.00 C ATOM 1494 CG2 VAL B 67 -3.214 -5.314 -7.728 1.00 0.00 C ATOM 0 H VAL B 67 -3.623 -2.470 -9.408 1.00 0.00 H new ATOM 0 HA VAL B 67 -2.912 -5.194 -10.399 1.00 0.00 H new ATOM 0 HB VAL B 67 -4.958 -4.277 -8.389 1.00 0.00 H new ATOM 0 HG11 VAL B 67 -5.534 -6.670 -8.178 1.00 0.00 H new ATOM 0 HG12 VAL B 67 -5.889 -6.040 -9.805 1.00 0.00 H new ATOM 0 HG13 VAL B 67 -4.445 -7.045 -9.535 1.00 0.00 H new ATOM 0 HG21 VAL B 67 -3.691 -5.717 -6.834 1.00 0.00 H new ATOM 0 HG22 VAL B 67 -2.498 -6.039 -8.116 1.00 0.00 H new ATOM 0 HG23 VAL B 67 -2.694 -4.389 -7.476 1.00 0.00 H new ATOM 1504 N ILE B 68 -4.212 -4.601 -12.400 1.00 0.00 N ATOM 1505 CA ILE B 68 -5.062 -4.470 -13.571 1.00 0.00 C ATOM 1506 C ILE B 68 -5.680 -5.829 -13.903 1.00 0.00 C ATOM 1507 O ILE B 68 -5.059 -6.868 -13.681 1.00 0.00 O ATOM 1508 CB ILE B 68 -4.282 -3.849 -14.731 1.00 0.00 C ATOM 1509 CG1 ILE B 68 -3.415 -2.684 -14.249 1.00 0.00 C ATOM 1510 CG2 ILE B 68 -5.223 -3.432 -15.864 1.00 0.00 C ATOM 1511 CD1 ILE B 68 -2.484 -2.196 -15.360 1.00 0.00 C ATOM 0 H ILE B 68 -3.277 -4.962 -12.590 1.00 0.00 H new ATOM 0 HA ILE B 68 -5.887 -3.786 -13.369 1.00 0.00 H new ATOM 0 HB ILE B 68 -3.609 -4.606 -15.133 1.00 0.00 H new ATOM 0 HG12 ILE B 68 -4.053 -1.864 -13.918 1.00 0.00 H new ATOM 0 HG13 ILE B 68 -2.826 -2.997 -13.387 1.00 0.00 H new ATOM 0 HG21 ILE B 68 -4.643 -2.993 -16.676 1.00 0.00 H new ATOM 0 HG22 ILE B 68 -5.759 -4.307 -16.232 1.00 0.00 H new ATOM 0 HG23 ILE B 68 -5.938 -2.698 -15.492 1.00 0.00 H new ATOM 0 HD11 ILE B 68 -1.879 -1.368 -14.990 1.00 0.00 H new ATOM 0 HD12 ILE B 68 -1.831 -3.011 -15.672 1.00 0.00 H new ATOM 0 HD13 ILE B 68 -3.077 -1.861 -16.211 1.00 0.00 H new ATOM 1523 N SER B 69 -6.894 -5.779 -14.430 1.00 0.00 N ATOM 1524 CA SER B 69 -7.603 -6.994 -14.794 1.00 0.00 C ATOM 1525 C SER B 69 -6.762 -7.816 -15.774 1.00 0.00 C ATOM 1526 O SER B 69 -6.301 -7.297 -16.789 1.00 0.00 O ATOM 1527 CB SER B 69 -8.968 -6.673 -15.406 1.00 0.00 C ATOM 1528 OG SER B 69 -9.858 -7.784 -15.340 1.00 0.00 O ATOM 0 H SER B 69 -7.405 -4.916 -14.614 1.00 0.00 H new ATOM 0 HA SER B 69 -7.769 -7.578 -13.889 1.00 0.00 H new ATOM 0 HB2 SER B 69 -9.409 -5.824 -14.883 1.00 0.00 H new ATOM 0 HB3 SER B 69 -8.838 -6.374 -16.446 1.00 0.00 H new ATOM 0 HG SER B 69 -10.719 -7.538 -15.739 1.00 0.00 H new ATOM 1534 N GLU B 70 -6.589 -9.085 -15.434 1.00 0.00 N ATOM 1535 CA GLU B 70 -5.812 -9.984 -16.271 1.00 0.00 C ATOM 1536 C GLU B 70 -6.160 -9.771 -17.745 1.00 0.00 C ATOM 1537 O GLU B 70 -5.274 -9.567 -18.573 1.00 0.00 O ATOM 1538 CB GLU B 70 -6.031 -11.441 -15.860 1.00 0.00 C ATOM 1539 CG GLU B 70 -4.713 -12.219 -15.875 1.00 0.00 C ATOM 1540 CD GLU B 70 -4.923 -13.642 -16.395 1.00 0.00 C ATOM 1541 OE1 GLU B 70 -5.207 -13.768 -17.606 1.00 0.00 O ATOM 1542 OE2 GLU B 70 -4.793 -14.573 -15.570 1.00 0.00 O ATOM 0 H GLU B 70 -6.973 -9.512 -14.591 1.00 0.00 H new ATOM 0 HA GLU B 70 -4.755 -9.757 -16.132 1.00 0.00 H new ATOM 0 HB2 GLU B 70 -6.469 -11.479 -14.863 1.00 0.00 H new ATOM 0 HB3 GLU B 70 -6.743 -11.911 -16.539 1.00 0.00 H new ATOM 0 HG2 GLU B 70 -3.988 -11.702 -16.503 1.00 0.00 H new ATOM 0 HG3 GLU B 70 -4.295 -12.254 -14.869 1.00 0.00 H new ATOM 1549 N LYS B 71 -7.454 -9.826 -18.028 1.00 0.00 N ATOM 1550 CA LYS B 71 -7.930 -9.642 -19.388 1.00 0.00 C ATOM 1551 C LYS B 71 -7.681 -8.195 -19.820 1.00 0.00 C ATOM 1552 O LYS B 71 -6.656 -7.893 -20.428 1.00 0.00 O ATOM 1553 CB LYS B 71 -9.393 -10.075 -19.507 1.00 0.00 C ATOM 1554 CG LYS B 71 -9.529 -11.302 -20.412 1.00 0.00 C ATOM 1555 CD LYS B 71 -9.799 -10.887 -21.860 1.00 0.00 C ATOM 1556 CE LYS B 71 -10.683 -11.916 -22.569 1.00 0.00 C ATOM 1557 NZ LYS B 71 -11.923 -11.279 -23.065 1.00 0.00 N ATOM 0 H LYS B 71 -8.186 -9.995 -17.339 1.00 0.00 H new ATOM 0 HA LYS B 71 -7.375 -10.281 -20.075 1.00 0.00 H new ATOM 0 HB2 LYS B 71 -9.791 -10.302 -18.518 1.00 0.00 H new ATOM 0 HB3 LYS B 71 -9.988 -9.254 -19.909 1.00 0.00 H new ATOM 0 HG2 LYS B 71 -8.617 -11.897 -20.364 1.00 0.00 H new ATOM 0 HG3 LYS B 71 -10.341 -11.935 -20.054 1.00 0.00 H new ATOM 0 HD2 LYS B 71 -10.284 -9.911 -21.878 1.00 0.00 H new ATOM 0 HD3 LYS B 71 -8.855 -10.783 -22.395 1.00 0.00 H new ATOM 0 HE2 LYS B 71 -10.138 -12.361 -23.401 1.00 0.00 H new ATOM 0 HE3 LYS B 71 -10.932 -12.725 -21.882 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 -12.511 -11.991 -23.543 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 -12.450 -10.875 -22.264 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 -11.680 -10.523 -23.736 1.00 0.00 H new ATOM 1571 N ASN B 72 -8.637 -7.339 -19.489 1.00 0.00 N ATOM 1572 CA ASN B 72 -8.534 -5.932 -19.835 1.00 0.00 C ATOM 1573 C ASN B 72 -7.266 -5.348 -19.207 1.00 0.00 C ATOM 1574 O ASN B 72 -7.107 -5.368 -17.988 1.00 0.00 O ATOM 1575 CB ASN B 72 -9.732 -5.144 -19.300 1.00 0.00 C ATOM 1576 CG ASN B 72 -10.976 -5.391 -20.155 1.00 0.00 C ATOM 1577 OD1 ASN B 72 -10.919 -5.970 -21.227 1.00 0.00 O ATOM 1578 ND2 ASN B 72 -12.100 -4.920 -19.623 1.00 0.00 N ATOM 0 H ASN B 72 -9.486 -7.593 -18.985 1.00 0.00 H new ATOM 0 HA ASN B 72 -8.506 -5.853 -20.922 1.00 0.00 H new ATOM 0 HB2 ASN B 72 -9.932 -5.434 -18.269 1.00 0.00 H new ATOM 0 HB3 ASN B 72 -9.497 -4.080 -19.292 1.00 0.00 H new ATOM 0 HD21 ASN B 72 -12.985 -5.034 -20.117 1.00 0.00 H new ATOM 0 HD22 ASN B 72 -12.077 -4.445 -18.721 1.00 0.00 H new ATOM 1585 N GLU B 73 -6.397 -4.843 -20.069 1.00 0.00 N ATOM 1586 CA GLU B 73 -5.148 -4.254 -19.615 1.00 0.00 C ATOM 1587 C GLU B 73 -5.357 -2.785 -19.244 1.00 0.00 C ATOM 1588 O GLU B 73 -4.497 -2.171 -18.616 1.00 0.00 O ATOM 1589 CB GLU B 73 -4.054 -4.403 -20.674 1.00 0.00 C ATOM 1590 CG GLU B 73 -2.901 -5.264 -20.156 1.00 0.00 C ATOM 1591 CD GLU B 73 -1.646 -5.070 -21.008 1.00 0.00 C ATOM 1592 OE1 GLU B 73 -1.305 -3.894 -21.258 1.00 0.00 O ATOM 1593 OE2 GLU B 73 -1.055 -6.103 -21.391 1.00 0.00 O ATOM 0 H GLU B 73 -6.532 -4.829 -21.080 1.00 0.00 H new ATOM 0 HA GLU B 73 -4.820 -4.789 -18.724 1.00 0.00 H new ATOM 0 HB2 GLU B 73 -4.473 -4.854 -21.574 1.00 0.00 H new ATOM 0 HB3 GLU B 73 -3.679 -3.419 -20.955 1.00 0.00 H new ATOM 0 HG2 GLU B 73 -2.685 -5.004 -19.120 1.00 0.00 H new ATOM 0 HG3 GLU B 73 -3.193 -6.314 -20.167 1.00 0.00 H new ATOM 1600 N GLU B 74 -6.506 -2.263 -19.650 1.00 0.00 N ATOM 1601 CA GLU B 74 -6.839 -0.877 -19.369 1.00 0.00 C ATOM 1602 C GLU B 74 -7.915 -0.799 -18.284 1.00 0.00 C ATOM 1603 O GLU B 74 -8.583 0.223 -18.139 1.00 0.00 O ATOM 1604 CB GLU B 74 -7.288 -0.152 -20.639 1.00 0.00 C ATOM 1605 CG GLU B 74 -6.083 0.315 -21.459 1.00 0.00 C ATOM 1606 CD GLU B 74 -6.052 1.841 -21.567 1.00 0.00 C ATOM 1607 OE1 GLU B 74 -6.762 2.361 -22.455 1.00 0.00 O ATOM 1608 OE2 GLU B 74 -5.320 2.453 -20.760 1.00 0.00 O ATOM 0 H GLU B 74 -7.217 -2.775 -20.171 1.00 0.00 H new ATOM 0 HA GLU B 74 -5.943 -0.376 -19.002 1.00 0.00 H new ATOM 0 HB2 GLU B 74 -7.907 -0.816 -21.242 1.00 0.00 H new ATOM 0 HB3 GLU B 74 -7.906 0.706 -20.373 1.00 0.00 H new ATOM 0 HG2 GLU B 74 -5.163 -0.039 -20.994 1.00 0.00 H new ATOM 0 HG3 GLU B 74 -6.125 -0.123 -22.456 1.00 0.00 H new ATOM 1615 N GLU B 75 -8.051 -1.894 -17.550 1.00 0.00 N ATOM 1616 CA GLU B 75 -9.034 -1.963 -16.483 1.00 0.00 C ATOM 1617 C GLU B 75 -8.341 -2.151 -15.133 1.00 0.00 C ATOM 1618 O GLU B 75 -8.143 -3.279 -14.684 1.00 0.00 O ATOM 1619 CB GLU B 75 -10.045 -3.082 -16.741 1.00 0.00 C ATOM 1620 CG GLU B 75 -11.244 -2.966 -15.797 1.00 0.00 C ATOM 1621 CD GLU B 75 -12.395 -3.861 -16.261 1.00 0.00 C ATOM 1622 OE1 GLU B 75 -12.725 -3.784 -17.465 1.00 0.00 O ATOM 1623 OE2 GLU B 75 -12.920 -4.602 -15.402 1.00 0.00 O ATOM 0 H GLU B 75 -7.496 -2.741 -17.674 1.00 0.00 H new ATOM 0 HA GLU B 75 -9.582 -1.021 -16.459 1.00 0.00 H new ATOM 0 HB2 GLU B 75 -10.386 -3.037 -17.775 1.00 0.00 H new ATOM 0 HB3 GLU B 75 -9.563 -4.050 -16.606 1.00 0.00 H new ATOM 0 HG2 GLU B 75 -10.945 -3.246 -14.787 1.00 0.00 H new ATOM 0 HG3 GLU B 75 -11.579 -1.930 -15.754 1.00 0.00 H new ATOM 1630 N VAL B 76 -7.990 -1.028 -14.523 1.00 0.00 N ATOM 1631 CA VAL B 76 -7.322 -1.055 -13.232 1.00 0.00 C ATOM 1632 C VAL B 76 -8.268 -1.646 -12.186 1.00 0.00 C ATOM 1633 O VAL B 76 -9.486 -1.600 -12.348 1.00 0.00 O ATOM 1634 CB VAL B 76 -6.830 0.348 -12.869 1.00 0.00 C ATOM 1635 CG1 VAL B 76 -7.972 1.363 -12.933 1.00 0.00 C ATOM 1636 CG2 VAL B 76 -6.166 0.356 -11.491 1.00 0.00 C ATOM 0 H VAL B 76 -8.155 -0.094 -14.898 1.00 0.00 H new ATOM 0 HA VAL B 76 -6.440 -1.695 -13.271 1.00 0.00 H new ATOM 0 HB VAL B 76 -6.080 0.641 -13.604 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -7.595 2.352 -12.671 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -8.381 1.387 -13.943 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -8.755 1.075 -12.231 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -5.825 1.365 -11.257 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -6.885 0.032 -10.739 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -5.314 -0.323 -11.494 1.00 0.00 H new ATOM 1646 N LEU B 77 -7.671 -2.188 -11.134 1.00 0.00 N ATOM 1647 CA LEU B 77 -8.445 -2.788 -10.061 1.00 0.00 C ATOM 1648 C LEU B 77 -8.027 -2.167 -8.727 1.00 0.00 C ATOM 1649 O LEU B 77 -8.869 -1.686 -7.971 1.00 0.00 O ATOM 1650 CB LEU B 77 -8.319 -4.313 -10.096 1.00 0.00 C ATOM 1651 CG LEU B 77 -8.340 -4.956 -11.485 1.00 0.00 C ATOM 1652 CD1 LEU B 77 -8.048 -6.455 -11.399 1.00 0.00 C ATOM 1653 CD2 LEU B 77 -9.661 -4.669 -12.201 1.00 0.00 C ATOM 0 H LEU B 77 -6.660 -2.224 -11.002 1.00 0.00 H new ATOM 0 HA LEU B 77 -9.506 -2.576 -10.193 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -7.388 -4.592 -9.602 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -9.132 -4.739 -9.508 1.00 0.00 H new ATOM 0 HG LEU B 77 -7.546 -4.507 -12.082 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -8.069 -6.888 -12.399 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -7.063 -6.609 -10.957 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -8.803 -6.938 -10.779 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -9.650 -5.137 -13.185 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -10.487 -5.073 -11.616 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -9.788 -3.592 -12.312 1.00 0.00 H new ATOM 1665 N VAL B 78 -6.725 -2.198 -8.479 1.00 0.00 N ATOM 1666 CA VAL B 78 -6.185 -1.645 -7.249 1.00 0.00 C ATOM 1667 C VAL B 78 -4.864 -0.935 -7.553 1.00 0.00 C ATOM 1668 O VAL B 78 -3.999 -1.488 -8.230 1.00 0.00 O ATOM 1669 CB VAL B 78 -6.043 -2.746 -6.197 1.00 0.00 C ATOM 1670 CG1 VAL B 78 -4.827 -2.497 -5.303 1.00 0.00 C ATOM 1671 CG2 VAL B 78 -7.320 -2.875 -5.363 1.00 0.00 C ATOM 0 H VAL B 78 -6.029 -2.597 -9.109 1.00 0.00 H new ATOM 0 HA VAL B 78 -6.866 -0.903 -6.832 1.00 0.00 H new ATOM 0 HB VAL B 78 -5.887 -3.690 -6.719 1.00 0.00 H new ATOM 0 HG11 VAL B 78 -4.749 -3.294 -4.564 1.00 0.00 H new ATOM 0 HG12 VAL B 78 -3.924 -2.479 -5.913 1.00 0.00 H new ATOM 0 HG13 VAL B 78 -4.940 -1.540 -4.794 1.00 0.00 H new ATOM 0 HG21 VAL B 78 -7.193 -3.665 -4.622 1.00 0.00 H new ATOM 0 HG22 VAL B 78 -7.520 -1.931 -4.856 1.00 0.00 H new ATOM 0 HG23 VAL B 78 -8.158 -3.121 -6.016 1.00 0.00 H new ATOM 1681 N GLU B 79 -4.749 0.280 -7.036 1.00 0.00 N ATOM 1682 CA GLU B 79 -3.549 1.072 -7.243 1.00 0.00 C ATOM 1683 C GLU B 79 -2.818 1.285 -5.915 1.00 0.00 C ATOM 1684 O GLU B 79 -3.128 2.218 -5.176 1.00 0.00 O ATOM 1685 CB GLU B 79 -3.881 2.409 -7.907 1.00 0.00 C ATOM 1686 CG GLU B 79 -2.643 3.014 -8.572 1.00 0.00 C ATOM 1687 CD GLU B 79 -2.795 4.527 -8.741 1.00 0.00 C ATOM 1688 OE1 GLU B 79 -3.324 4.929 -9.799 1.00 0.00 O ATOM 1689 OE2 GLU B 79 -2.379 5.247 -7.808 1.00 0.00 O ATOM 0 H GLU B 79 -5.468 0.735 -6.474 1.00 0.00 H new ATOM 0 HA GLU B 79 -2.888 0.525 -7.916 1.00 0.00 H new ATOM 0 HB2 GLU B 79 -4.664 2.265 -8.651 1.00 0.00 H new ATOM 0 HB3 GLU B 79 -4.273 3.102 -7.162 1.00 0.00 H new ATOM 0 HG2 GLU B 79 -1.760 2.799 -7.970 1.00 0.00 H new ATOM 0 HG3 GLU B 79 -2.485 2.550 -9.546 1.00 0.00 H new ATOM 1696 N CYS B 80 -1.862 0.406 -5.654 1.00 0.00 N ATOM 1697 CA CYS B 80 -1.086 0.487 -4.429 1.00 0.00 C ATOM 1698 C CYS B 80 0.217 1.230 -4.734 1.00 0.00 C ATOM 1699 O CYS B 80 1.169 0.638 -5.240 1.00 0.00 O ATOM 1700 CB CYS B 80 -0.827 -0.897 -3.831 1.00 0.00 C ATOM 1701 SG CYS B 80 -0.388 -0.742 -2.061 1.00 0.00 S ATOM 0 H CYS B 80 -1.607 -0.366 -6.270 1.00 0.00 H new ATOM 0 HA CYS B 80 -1.649 1.037 -3.675 1.00 0.00 H new ATOM 0 HB2 CYS B 80 -1.714 -1.521 -3.941 1.00 0.00 H new ATOM 0 HB3 CYS B 80 -0.020 -1.391 -4.372 1.00 0.00 H new ATOM 0 HG CYS B 80 -1.017 -1.651 -1.377 1.00 0.00 H new ATOM 1707 N ARG B 81 0.217 2.515 -4.412 1.00 0.00 N ATOM 1708 CA ARG B 81 1.386 3.345 -4.645 1.00 0.00 C ATOM 1709 C ARG B 81 2.445 3.083 -3.572 1.00 0.00 C ATOM 1710 O ARG B 81 2.201 3.303 -2.387 1.00 0.00 O ATOM 1711 CB ARG B 81 1.019 4.830 -4.637 1.00 0.00 C ATOM 1712 CG ARG B 81 0.471 5.266 -5.998 1.00 0.00 C ATOM 1713 CD ARG B 81 1.594 5.377 -7.031 1.00 0.00 C ATOM 1714 NE ARG B 81 1.024 5.618 -8.375 1.00 0.00 N ATOM 1715 CZ ARG B 81 0.466 6.774 -8.758 1.00 0.00 C ATOM 1716 NH1 ARG B 81 0.400 7.803 -7.902 1.00 0.00 N ATOM 1717 NH2 ARG B 81 -0.027 6.902 -9.998 1.00 0.00 N ATOM 0 H ARG B 81 -0.575 3.002 -3.991 1.00 0.00 H new ATOM 0 HA ARG B 81 1.785 3.087 -5.626 1.00 0.00 H new ATOM 0 HB2 ARG B 81 0.275 5.020 -3.863 1.00 0.00 H new ATOM 0 HB3 ARG B 81 1.898 5.424 -4.387 1.00 0.00 H new ATOM 0 HG2 ARG B 81 -0.274 4.548 -6.341 1.00 0.00 H new ATOM 0 HG3 ARG B 81 -0.034 6.227 -5.900 1.00 0.00 H new ATOM 0 HD2 ARG B 81 2.268 6.190 -6.762 1.00 0.00 H new ATOM 0 HD3 ARG B 81 2.186 4.462 -7.037 1.00 0.00 H new ATOM 0 HE ARG B 81 1.058 4.856 -9.052 1.00 0.00 H new ATOM 0 HH11 ARG B 81 0.775 7.706 -6.958 1.00 0.00 H new ATOM 0 HH12 ARG B 81 -0.025 8.683 -8.194 1.00 0.00 H new ATOM 0 HH21 ARG B 81 0.023 6.119 -10.650 1.00 0.00 H new ATOM 0 HH22 ARG B 81 -0.452 7.782 -10.290 1.00 0.00 H new ATOM 1731 N VAL B 82 3.599 2.617 -4.026 1.00 0.00 N ATOM 1732 CA VAL B 82 4.696 2.322 -3.120 1.00 0.00 C ATOM 1733 C VAL B 82 4.875 3.490 -2.147 1.00 0.00 C ATOM 1734 O VAL B 82 5.351 3.302 -1.028 1.00 0.00 O ATOM 1735 CB VAL B 82 5.964 2.009 -3.917 1.00 0.00 C ATOM 1736 CG1 VAL B 82 7.061 3.036 -3.630 1.00 0.00 C ATOM 1737 CG2 VAL B 82 6.454 0.588 -3.631 1.00 0.00 C ATOM 0 H VAL B 82 3.798 2.436 -5.010 1.00 0.00 H new ATOM 0 HA VAL B 82 4.474 1.435 -2.527 1.00 0.00 H new ATOM 0 HB VAL B 82 5.717 2.072 -4.977 1.00 0.00 H new ATOM 0 HG11 VAL B 82 7.951 2.790 -4.209 1.00 0.00 H new ATOM 0 HG12 VAL B 82 6.711 4.030 -3.908 1.00 0.00 H new ATOM 0 HG13 VAL B 82 7.304 3.021 -2.568 1.00 0.00 H new ATOM 0 HG21 VAL B 82 7.356 0.391 -4.210 1.00 0.00 H new ATOM 0 HG22 VAL B 82 6.675 0.486 -2.569 1.00 0.00 H new ATOM 0 HG23 VAL B 82 5.680 -0.127 -3.911 1.00 0.00 H new ATOM 1747 N ARG B 83 4.486 4.669 -2.610 1.00 0.00 N ATOM 1748 CA ARG B 83 4.597 5.866 -1.794 1.00 0.00 C ATOM 1749 C ARG B 83 3.524 5.868 -0.703 1.00 0.00 C ATOM 1750 O ARG B 83 3.786 6.269 0.429 1.00 0.00 O ATOM 1751 CB ARG B 83 4.450 7.128 -2.647 1.00 0.00 C ATOM 1752 CG ARG B 83 5.673 7.330 -3.544 1.00 0.00 C ATOM 1753 CD ARG B 83 6.704 8.236 -2.870 1.00 0.00 C ATOM 1754 NE ARG B 83 7.666 8.743 -3.874 1.00 0.00 N ATOM 1755 CZ ARG B 83 7.355 9.622 -4.836 1.00 0.00 C ATOM 1756 NH1 ARG B 83 6.106 10.097 -4.931 1.00 0.00 N ATOM 1757 NH2 ARG B 83 8.293 10.025 -5.704 1.00 0.00 N ATOM 0 H ARG B 83 4.094 4.821 -3.539 1.00 0.00 H new ATOM 0 HA ARG B 83 5.585 5.864 -1.335 1.00 0.00 H new ATOM 0 HB2 ARG B 83 3.553 7.053 -3.261 1.00 0.00 H new ATOM 0 HB3 ARG B 83 4.322 7.996 -2.000 1.00 0.00 H new ATOM 0 HG2 ARG B 83 6.125 6.365 -3.771 1.00 0.00 H new ATOM 0 HG3 ARG B 83 5.364 7.768 -4.493 1.00 0.00 H new ATOM 0 HD2 ARG B 83 6.202 9.071 -2.381 1.00 0.00 H new ATOM 0 HD3 ARG B 83 7.233 7.684 -2.094 1.00 0.00 H new ATOM 0 HE ARG B 83 8.626 8.402 -3.831 1.00 0.00 H new ATOM 0 HH11 ARG B 83 5.392 9.789 -4.271 1.00 0.00 H new ATOM 0 HH12 ARG B 83 5.869 10.766 -5.663 1.00 0.00 H new ATOM 0 HH21 ARG B 83 9.244 9.662 -5.632 1.00 0.00 H new ATOM 0 HH22 ARG B 83 8.056 10.694 -6.436 1.00 0.00 H new ATOM 1771 N PHE B 84 2.339 5.414 -1.083 1.00 0.00 N ATOM 1772 CA PHE B 84 1.225 5.358 -0.152 1.00 0.00 C ATOM 1773 C PHE B 84 1.311 4.111 0.730 1.00 0.00 C ATOM 1774 O PHE B 84 0.989 4.162 1.917 1.00 0.00 O ATOM 1775 CB PHE B 84 -0.054 5.291 -0.988 1.00 0.00 C ATOM 1776 CG PHE B 84 -0.429 6.613 -1.660 1.00 0.00 C ATOM 1777 CD1 PHE B 84 0.393 7.157 -2.596 1.00 0.00 C ATOM 1778 CD2 PHE B 84 -1.585 7.245 -1.320 1.00 0.00 C ATOM 1779 CE1 PHE B 84 0.045 8.384 -3.220 1.00 0.00 C ATOM 1780 CE2 PHE B 84 -1.933 8.472 -1.944 1.00 0.00 C ATOM 1781 CZ PHE B 84 -1.110 9.016 -2.880 1.00 0.00 C ATOM 0 H PHE B 84 2.126 5.081 -2.023 1.00 0.00 H new ATOM 0 HA PHE B 84 1.239 6.232 0.499 1.00 0.00 H new ATOM 0 HB2 PHE B 84 0.066 4.526 -1.756 1.00 0.00 H new ATOM 0 HB3 PHE B 84 -0.878 4.974 -0.348 1.00 0.00 H new ATOM 0 HD1 PHE B 84 1.311 6.656 -2.865 1.00 0.00 H new ATOM 0 HD2 PHE B 84 -2.238 6.813 -0.576 1.00 0.00 H new ATOM 0 HE1 PHE B 84 0.698 8.815 -3.965 1.00 0.00 H new ATOM 0 HE2 PHE B 84 -2.851 8.973 -1.675 1.00 0.00 H new ATOM 0 HZ PHE B 84 -1.374 9.950 -3.353 1.00 0.00 H new ATOM 1791 N LEU B 85 1.745 3.020 0.117 1.00 0.00 N ATOM 1792 CA LEU B 85 1.877 1.762 0.832 1.00 0.00 C ATOM 1793 C LEU B 85 2.443 2.030 2.228 1.00 0.00 C ATOM 1794 O LEU B 85 3.164 3.005 2.432 1.00 0.00 O ATOM 1795 CB LEU B 85 2.702 0.766 0.015 1.00 0.00 C ATOM 1796 CG LEU B 85 2.287 -0.703 0.130 1.00 0.00 C ATOM 1797 CD1 LEU B 85 2.412 -1.416 -1.218 1.00 0.00 C ATOM 1798 CD2 LEU B 85 3.081 -1.412 1.229 1.00 0.00 C ATOM 0 H LEU B 85 2.010 2.981 -0.867 1.00 0.00 H new ATOM 0 HA LEU B 85 0.901 1.297 0.968 1.00 0.00 H new ATOM 0 HB2 LEU B 85 2.650 1.056 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU B 85 3.745 0.853 0.319 1.00 0.00 H new ATOM 0 HG LEU B 85 1.236 -0.739 0.417 1.00 0.00 H new ATOM 0 HD11 LEU B 85 2.111 -2.458 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU B 85 1.768 -0.928 -1.949 1.00 0.00 H new ATOM 0 HD13 LEU B 85 3.446 -1.371 -1.559 1.00 0.00 H new ATOM 0 HD21 LEU B 85 2.767 -2.454 1.290 1.00 0.00 H new ATOM 0 HD22 LEU B 85 4.145 -1.367 0.996 1.00 0.00 H new ATOM 0 HD23 LEU B 85 2.897 -0.921 2.185 1.00 0.00 H new ATOM 1810 N SER B 86 2.095 1.147 3.152 1.00 0.00 N ATOM 1811 CA SER B 86 2.559 1.276 4.523 1.00 0.00 C ATOM 1812 C SER B 86 3.174 -0.043 4.994 1.00 0.00 C ATOM 1813 O SER B 86 4.324 -0.077 5.427 1.00 0.00 O ATOM 1814 CB SER B 86 1.419 1.693 5.454 1.00 0.00 C ATOM 1815 OG SER B 86 0.289 0.834 5.331 1.00 0.00 O ATOM 0 H SER B 86 1.497 0.339 2.978 1.00 0.00 H new ATOM 0 HA SER B 86 3.320 2.056 4.554 1.00 0.00 H new ATOM 0 HB2 SER B 86 1.771 1.683 6.485 1.00 0.00 H new ATOM 0 HB3 SER B 86 1.122 2.717 5.228 1.00 0.00 H new ATOM 0 HG SER B 86 0.174 0.324 6.160 1.00 0.00 H new ATOM 1821 N PHE B 87 2.379 -1.099 4.893 1.00 0.00 N ATOM 1822 CA PHE B 87 2.830 -2.417 5.303 1.00 0.00 C ATOM 1823 C PHE B 87 2.629 -3.439 4.182 1.00 0.00 C ATOM 1824 O PHE B 87 1.732 -3.289 3.354 1.00 0.00 O ATOM 1825 CB PHE B 87 1.980 -2.826 6.508 1.00 0.00 C ATOM 1826 CG PHE B 87 2.630 -3.890 7.395 1.00 0.00 C ATOM 1827 CD1 PHE B 87 3.668 -3.557 8.207 1.00 0.00 C ATOM 1828 CD2 PHE B 87 2.168 -5.169 7.372 1.00 0.00 C ATOM 1829 CE1 PHE B 87 4.271 -4.544 9.031 1.00 0.00 C ATOM 1830 CE2 PHE B 87 2.771 -6.157 8.195 1.00 0.00 C ATOM 1831 CZ PHE B 87 3.810 -5.823 9.007 1.00 0.00 C ATOM 0 H PHE B 87 1.425 -1.068 4.533 1.00 0.00 H new ATOM 0 HA PHE B 87 3.892 -2.388 5.545 1.00 0.00 H new ATOM 0 HB2 PHE B 87 1.773 -1.942 7.111 1.00 0.00 H new ATOM 0 HB3 PHE B 87 1.020 -3.201 6.152 1.00 0.00 H new ATOM 0 HD1 PHE B 87 4.034 -2.541 8.226 1.00 0.00 H new ATOM 0 HD2 PHE B 87 1.342 -5.433 6.728 1.00 0.00 H new ATOM 0 HE1 PHE B 87 5.095 -4.279 9.676 1.00 0.00 H new ATOM 0 HE2 PHE B 87 2.405 -7.173 8.176 1.00 0.00 H new ATOM 0 HZ PHE B 87 4.269 -6.574 9.633 1.00 0.00 H new ATOM 1841 N MET B 88 3.478 -4.456 4.192 1.00 0.00 N ATOM 1842 CA MET B 88 3.405 -5.502 3.186 1.00 0.00 C ATOM 1843 C MET B 88 4.191 -6.739 3.624 1.00 0.00 C ATOM 1844 O MET B 88 5.399 -6.666 3.846 1.00 0.00 O ATOM 1845 CB MET B 88 3.971 -4.980 1.864 1.00 0.00 C ATOM 1846 CG MET B 88 5.306 -4.265 2.083 1.00 0.00 C ATOM 1847 SD MET B 88 6.544 -4.937 0.988 1.00 0.00 S ATOM 1848 CE MET B 88 6.841 -3.518 -0.054 1.00 0.00 C ATOM 0 H MET B 88 4.220 -4.578 4.881 1.00 0.00 H new ATOM 0 HA MET B 88 2.360 -5.784 3.058 1.00 0.00 H new ATOM 0 HB2 MET B 88 4.108 -5.810 1.170 1.00 0.00 H new ATOM 0 HB3 MET B 88 3.259 -4.295 1.405 1.00 0.00 H new ATOM 0 HG2 MET B 88 5.190 -3.196 1.902 1.00 0.00 H new ATOM 0 HG3 MET B 88 5.624 -4.380 3.119 1.00 0.00 H new ATOM 0 HE1 MET B 88 7.046 -3.850 -1.072 1.00 0.00 H new ATOM 0 HE2 MET B 88 5.961 -2.875 -0.053 1.00 0.00 H new ATOM 0 HE3 MET B 88 7.698 -2.961 0.325 1.00 0.00 H new ATOM 1858 N GLY B 89 3.474 -7.848 3.736 1.00 0.00 N ATOM 1859 CA GLY B 89 4.089 -9.100 4.144 1.00 0.00 C ATOM 1860 C GLY B 89 3.238 -10.295 3.711 1.00 0.00 C ATOM 1861 O GLY B 89 2.422 -10.183 2.797 1.00 0.00 O ATOM 0 H GLY B 89 2.473 -7.905 3.551 1.00 0.00 H new ATOM 0 HA2 GLY B 89 5.084 -9.180 3.707 1.00 0.00 H new ATOM 0 HA3 GLY B 89 4.215 -9.112 5.227 1.00 0.00 H new ATOM 1865 N VAL B 90 3.457 -11.413 4.388 1.00 0.00 N ATOM 1866 CA VAL B 90 2.720 -12.628 4.085 1.00 0.00 C ATOM 1867 C VAL B 90 2.034 -13.134 5.356 1.00 0.00 C ATOM 1868 O VAL B 90 2.291 -12.628 6.448 1.00 0.00 O ATOM 1869 CB VAL B 90 3.655 -13.664 3.458 1.00 0.00 C ATOM 1870 CG1 VAL B 90 5.040 -13.068 3.201 1.00 0.00 C ATOM 1871 CG2 VAL B 90 3.750 -14.916 4.331 1.00 0.00 C ATOM 0 H VAL B 90 4.134 -11.503 5.145 1.00 0.00 H new ATOM 0 HA VAL B 90 1.939 -12.428 3.352 1.00 0.00 H new ATOM 0 HB VAL B 90 3.233 -13.958 2.497 1.00 0.00 H new ATOM 0 HG11 VAL B 90 5.685 -13.825 2.755 1.00 0.00 H new ATOM 0 HG12 VAL B 90 4.951 -12.221 2.521 1.00 0.00 H new ATOM 0 HG13 VAL B 90 5.472 -12.733 4.144 1.00 0.00 H new ATOM 0 HG21 VAL B 90 4.421 -15.636 3.862 1.00 0.00 H new ATOM 0 HG22 VAL B 90 4.137 -14.646 5.314 1.00 0.00 H new ATOM 0 HG23 VAL B 90 2.760 -15.360 4.440 1.00 0.00 H new ATOM 1881 N GLY B 91 1.175 -14.125 5.172 1.00 0.00 N ATOM 1882 CA GLY B 91 0.451 -14.705 6.290 1.00 0.00 C ATOM 1883 C GLY B 91 1.147 -15.970 6.798 1.00 0.00 C ATOM 1884 O GLY B 91 2.311 -15.926 7.193 1.00 0.00 O ATOM 0 H GLY B 91 0.964 -14.541 4.265 1.00 0.00 H new ATOM 0 HA2 GLY B 91 0.378 -13.977 7.098 1.00 0.00 H new ATOM 0 HA3 GLY B 91 -0.567 -14.944 5.984 1.00 0.00 H new ATOM 1888 N LYS B 92 0.404 -17.066 6.771 1.00 0.00 N ATOM 1889 CA LYS B 92 0.935 -18.341 7.224 1.00 0.00 C ATOM 1890 C LYS B 92 1.758 -18.974 6.100 1.00 0.00 C ATOM 1891 O LYS B 92 2.716 -19.699 6.361 1.00 0.00 O ATOM 1892 CB LYS B 92 -0.192 -19.237 7.742 1.00 0.00 C ATOM 1893 CG LYS B 92 -1.060 -18.494 8.759 1.00 0.00 C ATOM 1894 CD LYS B 92 -0.570 -18.745 10.186 1.00 0.00 C ATOM 1895 CE LYS B 92 -0.155 -17.436 10.861 1.00 0.00 C ATOM 1896 NZ LYS B 92 0.827 -17.696 11.938 1.00 0.00 N ATOM 0 H LYS B 92 -0.561 -17.098 6.443 1.00 0.00 H new ATOM 0 HA LYS B 92 1.608 -18.195 8.069 1.00 0.00 H new ATOM 0 HB2 LYS B 92 -0.809 -19.571 6.907 1.00 0.00 H new ATOM 0 HB3 LYS B 92 0.231 -20.130 8.203 1.00 0.00 H new ATOM 0 HG2 LYS B 92 -1.040 -17.425 8.547 1.00 0.00 H new ATOM 0 HG3 LYS B 92 -2.096 -18.819 8.664 1.00 0.00 H new ATOM 0 HD2 LYS B 92 -1.359 -19.224 10.766 1.00 0.00 H new ATOM 0 HD3 LYS B 92 0.275 -19.433 10.168 1.00 0.00 H new ATOM 0 HE2 LYS B 92 0.277 -16.760 10.123 1.00 0.00 H new ATOM 0 HE3 LYS B 92 -1.033 -16.939 11.274 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 1.098 -16.797 12.385 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 0.403 -18.323 12.651 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 1.671 -18.151 11.536 1.00 0.00 H new ATOM 1910 N ASP B 93 1.352 -18.677 4.874 1.00 0.00 N ATOM 1911 CA ASP B 93 2.040 -19.208 3.710 1.00 0.00 C ATOM 1912 C ASP B 93 2.528 -18.049 2.838 1.00 0.00 C ATOM 1913 O ASP B 93 1.817 -17.062 2.657 1.00 0.00 O ATOM 1914 CB ASP B 93 1.103 -20.074 2.865 1.00 0.00 C ATOM 1915 CG ASP B 93 1.469 -21.559 2.810 1.00 0.00 C ATOM 1916 OD1 ASP B 93 2.482 -21.917 3.447 1.00 0.00 O ATOM 1917 OD2 ASP B 93 0.726 -22.301 2.132 1.00 0.00 O ATOM 0 H ASP B 93 0.556 -18.076 4.662 1.00 0.00 H new ATOM 0 HA ASP B 93 2.875 -19.815 4.059 1.00 0.00 H new ATOM 0 HB2 ASP B 93 0.091 -19.979 3.259 1.00 0.00 H new ATOM 0 HB3 ASP B 93 1.088 -19.681 1.848 1.00 0.00 H new ATOM 1922 N VAL B 94 3.737 -18.208 2.320 1.00 0.00 N ATOM 1923 CA VAL B 94 4.328 -17.187 1.472 1.00 0.00 C ATOM 1924 C VAL B 94 3.513 -17.068 0.182 1.00 0.00 C ATOM 1925 O VAL B 94 3.418 -15.988 -0.398 1.00 0.00 O ATOM 1926 CB VAL B 94 5.803 -17.506 1.220 1.00 0.00 C ATOM 1927 CG1 VAL B 94 6.596 -17.504 2.529 1.00 0.00 C ATOM 1928 CG2 VAL B 94 5.959 -18.839 0.487 1.00 0.00 C ATOM 0 H VAL B 94 4.323 -19.029 2.471 1.00 0.00 H new ATOM 0 HA VAL B 94 4.299 -16.216 1.966 1.00 0.00 H new ATOM 0 HB VAL B 94 6.210 -16.723 0.580 1.00 0.00 H new ATOM 0 HG11 VAL B 94 7.641 -17.734 2.322 1.00 0.00 H new ATOM 0 HG12 VAL B 94 6.526 -16.521 2.995 1.00 0.00 H new ATOM 0 HG13 VAL B 94 6.186 -18.256 3.204 1.00 0.00 H new ATOM 0 HG21 VAL B 94 7.017 -19.041 0.321 1.00 0.00 H new ATOM 0 HG22 VAL B 94 5.527 -19.638 1.089 1.00 0.00 H new ATOM 0 HG23 VAL B 94 5.444 -18.789 -0.472 1.00 0.00 H new ATOM 1938 N HIS B 95 2.947 -18.193 -0.228 1.00 0.00 N ATOM 1939 CA HIS B 95 2.143 -18.228 -1.438 1.00 0.00 C ATOM 1940 C HIS B 95 1.197 -17.026 -1.461 1.00 0.00 C ATOM 1941 O HIS B 95 0.832 -16.538 -2.530 1.00 0.00 O ATOM 1942 CB HIS B 95 1.408 -19.564 -1.564 1.00 0.00 C ATOM 1943 CG HIS B 95 2.279 -20.770 -1.305 1.00 0.00 C ATOM 1944 ND1 HIS B 95 2.642 -21.173 -0.031 1.00 0.00 N ATOM 1945 CD2 HIS B 95 2.853 -21.657 -2.167 1.00 0.00 C ATOM 1946 CE1 HIS B 95 3.401 -22.254 -0.135 1.00 0.00 C ATOM 1947 NE2 HIS B 95 3.531 -22.552 -1.460 1.00 0.00 N ATOM 0 H HIS B 95 3.029 -19.087 0.256 1.00 0.00 H new ATOM 0 HA HIS B 95 2.791 -18.153 -2.311 1.00 0.00 H new ATOM 0 HB2 HIS B 95 0.572 -19.575 -0.864 1.00 0.00 H new ATOM 0 HB3 HIS B 95 0.986 -19.642 -2.566 1.00 0.00 H new ATOM 0 HD2 HIS B 95 2.770 -21.635 -3.244 1.00 0.00 H new ATOM 0 HE1 HIS B 95 3.840 -22.803 0.685 1.00 0.00 H new ATOM 0 HE2 HIS B 95 4.062 -23.334 -1.844 1.00 0.00 H new ATOM 1955 N THR B 96 0.826 -16.583 -0.269 1.00 0.00 N ATOM 1956 CA THR B 96 -0.072 -15.448 -0.138 1.00 0.00 C ATOM 1957 C THR B 96 0.717 -14.181 0.201 1.00 0.00 C ATOM 1958 O THR B 96 1.653 -14.224 0.998 1.00 0.00 O ATOM 1959 CB THR B 96 -1.133 -15.801 0.906 1.00 0.00 C ATOM 1960 OG1 THR B 96 -0.380 -16.099 2.079 1.00 0.00 O ATOM 1961 CG2 THR B 96 -1.856 -17.111 0.585 1.00 0.00 C ATOM 0 H THR B 96 1.131 -16.990 0.615 1.00 0.00 H new ATOM 0 HA THR B 96 -0.580 -15.235 -1.078 1.00 0.00 H new ATOM 0 HB THR B 96 -1.860 -14.992 0.973 1.00 0.00 H new ATOM 0 HG1 THR B 96 0.569 -15.920 1.913 1.00 0.00 H new ATOM 0 HG21 THR B 96 -2.598 -17.315 1.357 1.00 0.00 H new ATOM 0 HG22 THR B 96 -2.352 -17.025 -0.382 1.00 0.00 H new ATOM 0 HG23 THR B 96 -1.134 -17.927 0.551 1.00 0.00 H new ATOM 1969 N PHE B 97 0.309 -13.084 -0.420 1.00 0.00 N ATOM 1970 CA PHE B 97 0.966 -11.808 -0.193 1.00 0.00 C ATOM 1971 C PHE B 97 -0.057 -10.675 -0.096 1.00 0.00 C ATOM 1972 O PHE B 97 -0.798 -10.419 -1.044 1.00 0.00 O ATOM 1973 CB PHE B 97 1.877 -11.554 -1.396 1.00 0.00 C ATOM 1974 CG PHE B 97 2.462 -10.141 -1.446 1.00 0.00 C ATOM 1975 CD1 PHE B 97 3.078 -9.621 -0.351 1.00 0.00 C ATOM 1976 CD2 PHE B 97 2.365 -9.406 -2.586 1.00 0.00 C ATOM 1977 CE1 PHE B 97 3.621 -8.310 -0.397 1.00 0.00 C ATOM 1978 CE2 PHE B 97 2.908 -8.094 -2.632 1.00 0.00 C ATOM 1979 CZ PHE B 97 3.524 -7.574 -1.537 1.00 0.00 C ATOM 0 H PHE B 97 -0.468 -13.052 -1.080 1.00 0.00 H new ATOM 0 HA PHE B 97 1.525 -11.838 0.742 1.00 0.00 H new ATOM 0 HB2 PHE B 97 2.695 -12.274 -1.378 1.00 0.00 H new ATOM 0 HB3 PHE B 97 1.313 -11.735 -2.311 1.00 0.00 H new ATOM 0 HD1 PHE B 97 3.154 -10.205 0.554 1.00 0.00 H new ATOM 0 HD2 PHE B 97 1.876 -9.819 -3.456 1.00 0.00 H new ATOM 0 HE1 PHE B 97 4.111 -7.897 0.473 1.00 0.00 H new ATOM 0 HE2 PHE B 97 2.831 -7.509 -3.537 1.00 0.00 H new ATOM 0 HZ PHE B 97 3.936 -6.576 -1.572 1.00 0.00 H new ATOM 1989 N ALA B 98 -0.066 -10.026 1.060 1.00 0.00 N ATOM 1990 CA ALA B 98 -0.986 -8.926 1.293 1.00 0.00 C ATOM 1991 C ALA B 98 -0.189 -7.653 1.586 1.00 0.00 C ATOM 1992 O ALA B 98 1.019 -7.711 1.809 1.00 0.00 O ATOM 1993 CB ALA B 98 -1.940 -9.291 2.433 1.00 0.00 C ATOM 0 H ALA B 98 0.549 -10.241 1.845 1.00 0.00 H new ATOM 0 HA ALA B 98 -1.592 -8.739 0.407 1.00 0.00 H new ATOM 0 HB1 ALA B 98 -2.630 -8.466 2.608 1.00 0.00 H new ATOM 0 HB2 ALA B 98 -2.503 -10.185 2.164 1.00 0.00 H new ATOM 0 HB3 ALA B 98 -1.367 -9.483 3.340 1.00 0.00 H new ATOM 1999 N PHE B 99 -0.897 -6.534 1.575 1.00 0.00 N ATOM 2000 CA PHE B 99 -0.271 -5.249 1.836 1.00 0.00 C ATOM 2001 C PHE B 99 -1.312 -4.203 2.239 1.00 0.00 C ATOM 2002 O PHE B 99 -2.440 -4.224 1.749 1.00 0.00 O ATOM 2003 CB PHE B 99 0.402 -4.807 0.535 1.00 0.00 C ATOM 2004 CG PHE B 99 -0.580 -4.463 -0.587 1.00 0.00 C ATOM 2005 CD1 PHE B 99 -1.309 -3.317 -0.526 1.00 0.00 C ATOM 2006 CD2 PHE B 99 -0.723 -5.305 -1.647 1.00 0.00 C ATOM 2007 CE1 PHE B 99 -2.220 -2.998 -1.568 1.00 0.00 C ATOM 2008 CE2 PHE B 99 -1.634 -4.986 -2.688 1.00 0.00 C ATOM 2009 CZ PHE B 99 -2.363 -3.840 -2.627 1.00 0.00 C ATOM 0 H PHE B 99 -1.899 -6.490 1.389 1.00 0.00 H new ATOM 0 HA PHE B 99 0.445 -5.343 2.653 1.00 0.00 H new ATOM 0 HB2 PHE B 99 1.026 -3.936 0.738 1.00 0.00 H new ATOM 0 HB3 PHE B 99 1.065 -5.601 0.193 1.00 0.00 H new ATOM 0 HD1 PHE B 99 -1.195 -2.649 0.315 1.00 0.00 H new ATOM 0 HD2 PHE B 99 -0.144 -6.215 -1.696 1.00 0.00 H new ATOM 0 HE1 PHE B 99 -2.799 -2.088 -1.520 1.00 0.00 H new ATOM 0 HE2 PHE B 99 -1.748 -5.654 -3.529 1.00 0.00 H new ATOM 0 HZ PHE B 99 -3.056 -3.598 -3.419 1.00 0.00 H new ATOM 2019 N ILE B 100 -0.897 -3.314 3.129 1.00 0.00 N ATOM 2020 CA ILE B 100 -1.780 -2.262 3.604 1.00 0.00 C ATOM 2021 C ILE B 100 -1.531 -0.989 2.793 1.00 0.00 C ATOM 2022 O ILE B 100 -0.402 -0.507 2.717 1.00 0.00 O ATOM 2023 CB ILE B 100 -1.621 -2.070 5.114 1.00 0.00 C ATOM 2024 CG1 ILE B 100 -2.198 -3.261 5.881 1.00 0.00 C ATOM 2025 CG2 ILE B 100 -2.237 -0.744 5.566 1.00 0.00 C ATOM 2026 CD1 ILE B 100 -1.187 -3.802 6.895 1.00 0.00 C ATOM 0 H ILE B 100 0.039 -3.300 3.534 1.00 0.00 H new ATOM 0 HA ILE B 100 -2.822 -2.541 3.449 1.00 0.00 H new ATOM 0 HB ILE B 100 -0.556 -2.025 5.343 1.00 0.00 H new ATOM 0 HG12 ILE B 100 -3.110 -2.959 6.397 1.00 0.00 H new ATOM 0 HG13 ILE B 100 -2.474 -4.050 5.181 1.00 0.00 H new ATOM 0 HG21 ILE B 100 -2.110 -0.632 6.643 1.00 0.00 H new ATOM 0 HG22 ILE B 100 -1.741 0.081 5.055 1.00 0.00 H new ATOM 0 HG23 ILE B 100 -3.299 -0.735 5.323 1.00 0.00 H new ATOM 0 HD11 ILE B 100 -1.622 -4.648 7.427 1.00 0.00 H new ATOM 0 HD12 ILE B 100 -0.286 -4.126 6.373 1.00 0.00 H new ATOM 0 HD13 ILE B 100 -0.932 -3.018 7.608 1.00 0.00 H new ATOM 2038 N MET B 101 -2.605 -0.479 2.207 1.00 0.00 N ATOM 2039 CA MET B 101 -2.517 0.729 1.404 1.00 0.00 C ATOM 2040 C MET B 101 -3.441 1.819 1.951 1.00 0.00 C ATOM 2041 O MET B 101 -4.536 1.527 2.430 1.00 0.00 O ATOM 2042 CB MET B 101 -2.903 0.410 -0.042 1.00 0.00 C ATOM 2043 CG MET B 101 -4.407 0.154 -0.164 1.00 0.00 C ATOM 2044 SD MET B 101 -4.849 -0.076 -1.878 1.00 0.00 S ATOM 2045 CE MET B 101 -4.533 1.566 -2.503 1.00 0.00 C ATOM 0 H MET B 101 -3.540 -0.880 2.272 1.00 0.00 H new ATOM 0 HA MET B 101 -1.491 1.095 1.443 1.00 0.00 H new ATOM 0 HB2 MET B 101 -2.618 1.239 -0.690 1.00 0.00 H new ATOM 0 HB3 MET B 101 -2.352 -0.466 -0.384 1.00 0.00 H new ATOM 0 HG2 MET B 101 -4.682 -0.729 0.413 1.00 0.00 H new ATOM 0 HG3 MET B 101 -4.962 0.994 0.254 1.00 0.00 H new ATOM 0 HE1 MET B 101 -5.073 1.709 -3.439 1.00 0.00 H new ATOM 0 HE2 MET B 101 -4.869 2.304 -1.774 1.00 0.00 H new ATOM 0 HE3 MET B 101 -3.464 1.689 -2.678 1.00 0.00 H new ATOM 2055 N ASP B 102 -2.965 3.052 1.862 1.00 0.00 N ATOM 2056 CA ASP B 102 -3.735 4.187 2.342 1.00 0.00 C ATOM 2057 C ASP B 102 -4.671 4.669 1.233 1.00 0.00 C ATOM 2058 O ASP B 102 -4.215 5.101 0.175 1.00 0.00 O ATOM 2059 CB ASP B 102 -2.819 5.351 2.726 1.00 0.00 C ATOM 2060 CG ASP B 102 -3.538 6.591 3.261 1.00 0.00 C ATOM 2061 OD1 ASP B 102 -4.099 6.487 4.373 1.00 0.00 O ATOM 2062 OD2 ASP B 102 -3.510 7.616 2.545 1.00 0.00 O ATOM 0 H ASP B 102 -2.056 3.290 1.465 1.00 0.00 H new ATOM 0 HA ASP B 102 -4.298 3.866 3.219 1.00 0.00 H new ATOM 0 HB2 ASP B 102 -2.114 5.004 3.481 1.00 0.00 H new ATOM 0 HB3 ASP B 102 -2.235 5.637 1.852 1.00 0.00 H new ATOM 2143 N PHE B 108 -7.330 2.510 5.592 1.00 0.00 N ATOM 2144 CA PHE B 108 -6.384 1.479 5.199 1.00 0.00 C ATOM 2145 C PHE B 108 -7.107 0.268 4.606 1.00 0.00 C ATOM 2146 O PHE B 108 -8.139 -0.158 5.123 1.00 0.00 O ATOM 2147 CB PHE B 108 -5.644 1.046 6.466 1.00 0.00 C ATOM 2148 CG PHE B 108 -5.047 2.206 7.265 1.00 0.00 C ATOM 2149 CD1 PHE B 108 -4.374 3.198 6.625 1.00 0.00 C ATOM 2150 CD2 PHE B 108 -5.191 2.244 8.617 1.00 0.00 C ATOM 2151 CE1 PHE B 108 -3.820 4.275 7.367 1.00 0.00 C ATOM 2152 CE2 PHE B 108 -4.637 3.321 9.360 1.00 0.00 C ATOM 2153 CZ PHE B 108 -3.964 4.314 8.719 1.00 0.00 C ATOM 0 HA PHE B 108 -5.703 1.868 4.442 1.00 0.00 H new ATOM 0 HB2 PHE B 108 -6.332 0.494 7.106 1.00 0.00 H new ATOM 0 HB3 PHE B 108 -4.844 0.359 6.190 1.00 0.00 H new ATOM 0 HD1 PHE B 108 -4.260 3.167 5.551 1.00 0.00 H new ATOM 0 HD2 PHE B 108 -5.726 1.456 9.126 1.00 0.00 H new ATOM 0 HE1 PHE B 108 -3.285 5.063 6.858 1.00 0.00 H new ATOM 0 HE2 PHE B 108 -4.750 3.351 10.434 1.00 0.00 H new ATOM 0 HZ PHE B 108 -3.544 5.133 9.283 1.00 0.00 H new ATOM 2163 N GLU B 109 -6.538 -0.252 3.529 1.00 0.00 N ATOM 2164 CA GLU B 109 -7.115 -1.405 2.860 1.00 0.00 C ATOM 2165 C GLU B 109 -6.057 -2.494 2.670 1.00 0.00 C ATOM 2166 O GLU B 109 -4.973 -2.227 2.153 1.00 0.00 O ATOM 2167 CB GLU B 109 -7.738 -1.007 1.520 1.00 0.00 C ATOM 2168 CG GLU B 109 -9.075 -0.293 1.728 1.00 0.00 C ATOM 2169 CD GLU B 109 -9.829 -0.144 0.405 1.00 0.00 C ATOM 2170 OE1 GLU B 109 -9.665 -1.044 -0.446 1.00 0.00 O ATOM 2171 OE2 GLU B 109 -10.552 0.867 0.275 1.00 0.00 O ATOM 0 H GLU B 109 -5.683 0.104 3.103 1.00 0.00 H new ATOM 0 HA GLU B 109 -7.910 -1.804 3.489 1.00 0.00 H new ATOM 0 HB2 GLU B 109 -7.054 -0.355 0.976 1.00 0.00 H new ATOM 0 HB3 GLU B 109 -7.888 -1.895 0.906 1.00 0.00 H new ATOM 0 HG2 GLU B 109 -9.684 -0.854 2.437 1.00 0.00 H new ATOM 0 HG3 GLU B 109 -8.902 0.691 2.165 1.00 0.00 H new ATOM 2178 N CYS B 110 -6.408 -3.697 3.098 1.00 0.00 N ATOM 2179 CA CYS B 110 -5.502 -4.827 2.982 1.00 0.00 C ATOM 2180 C CYS B 110 -5.901 -5.638 1.748 1.00 0.00 C ATOM 2181 O CYS B 110 -7.016 -6.153 1.673 1.00 0.00 O ATOM 2182 CB CYS B 110 -5.498 -5.682 4.251 1.00 0.00 C ATOM 2183 SG CYS B 110 -4.149 -6.916 4.170 1.00 0.00 S ATOM 0 H CYS B 110 -7.308 -3.914 3.526 1.00 0.00 H new ATOM 0 HA CYS B 110 -4.480 -4.466 2.863 1.00 0.00 H new ATOM 0 HB2 CYS B 110 -5.369 -5.047 5.127 1.00 0.00 H new ATOM 0 HB3 CYS B 110 -6.458 -6.187 4.362 1.00 0.00 H new ATOM 0 HG CYS B 110 -4.016 -7.490 5.329 1.00 0.00 H new ATOM 2189 N HIS B 111 -4.969 -5.727 0.811 1.00 0.00 N ATOM 2190 CA HIS B 111 -5.210 -6.467 -0.417 1.00 0.00 C ATOM 2191 C HIS B 111 -4.297 -7.694 -0.464 1.00 0.00 C ATOM 2192 O HIS B 111 -3.083 -7.563 -0.616 1.00 0.00 O ATOM 2193 CB HIS B 111 -5.048 -5.560 -1.638 1.00 0.00 C ATOM 2194 CG HIS B 111 -5.991 -4.381 -1.657 1.00 0.00 C ATOM 2195 ND1 HIS B 111 -7.264 -4.447 -2.197 1.00 0.00 N ATOM 2196 CD2 HIS B 111 -5.834 -3.107 -1.196 1.00 0.00 C ATOM 2197 CE1 HIS B 111 -7.837 -3.260 -2.062 1.00 0.00 C ATOM 2198 NE2 HIS B 111 -6.950 -2.431 -1.442 1.00 0.00 N ATOM 0 H HIS B 111 -4.045 -5.299 0.877 1.00 0.00 H new ATOM 0 HA HIS B 111 -6.240 -6.823 -0.436 1.00 0.00 H new ATOM 0 HB2 HIS B 111 -4.022 -5.192 -1.671 1.00 0.00 H new ATOM 0 HB3 HIS B 111 -5.204 -6.151 -2.540 1.00 0.00 H new ATOM 0 HD2 HIS B 111 -4.951 -2.715 -0.713 1.00 0.00 H new ATOM 0 HE1 HIS B 111 -8.833 -2.995 -2.386 1.00 0.00 H new ATOM 0 HE2 HIS B 111 -7.116 -1.453 -1.206 1.00 0.00 H new ATOM 2206 N VAL B 112 -4.916 -8.858 -0.330 1.00 0.00 N ATOM 2207 CA VAL B 112 -4.174 -10.107 -0.356 1.00 0.00 C ATOM 2208 C VAL B 112 -4.105 -10.625 -1.794 1.00 0.00 C ATOM 2209 O VAL B 112 -4.904 -10.226 -2.640 1.00 0.00 O ATOM 2210 CB VAL B 112 -4.805 -11.110 0.612 1.00 0.00 C ATOM 2211 CG1 VAL B 112 -3.959 -12.381 0.712 1.00 0.00 C ATOM 2212 CG2 VAL B 112 -5.018 -10.482 1.991 1.00 0.00 C ATOM 0 H VAL B 112 -5.923 -8.962 -0.203 1.00 0.00 H new ATOM 0 HA VAL B 112 -3.150 -9.950 -0.018 1.00 0.00 H new ATOM 0 HB VAL B 112 -5.782 -11.388 0.217 1.00 0.00 H new ATOM 0 HG11 VAL B 112 -4.429 -13.077 1.406 1.00 0.00 H new ATOM 0 HG12 VAL B 112 -3.882 -12.845 -0.271 1.00 0.00 H new ATOM 0 HG13 VAL B 112 -2.962 -12.127 1.072 1.00 0.00 H new ATOM 0 HG21 VAL B 112 -5.468 -11.216 2.660 1.00 0.00 H new ATOM 0 HG22 VAL B 112 -4.059 -10.161 2.397 1.00 0.00 H new ATOM 0 HG23 VAL B 112 -5.680 -9.621 1.900 1.00 0.00 H new ATOM 2222 N PHE B 113 -3.143 -11.506 -2.026 1.00 0.00 N ATOM 2223 CA PHE B 113 -2.960 -12.083 -3.347 1.00 0.00 C ATOM 2224 C PHE B 113 -2.295 -13.458 -3.258 1.00 0.00 C ATOM 2225 O PHE B 113 -1.499 -13.709 -2.354 1.00 0.00 O ATOM 2226 CB PHE B 113 -2.044 -11.136 -4.125 1.00 0.00 C ATOM 2227 CG PHE B 113 -2.660 -9.764 -4.406 1.00 0.00 C ATOM 2228 CD1 PHE B 113 -2.699 -8.823 -3.425 1.00 0.00 C ATOM 2229 CD2 PHE B 113 -3.170 -9.486 -5.636 1.00 0.00 C ATOM 2230 CE1 PHE B 113 -3.271 -7.549 -3.685 1.00 0.00 C ATOM 2231 CE2 PHE B 113 -3.742 -8.213 -5.896 1.00 0.00 C ATOM 2232 CZ PHE B 113 -3.780 -7.271 -4.915 1.00 0.00 C ATOM 0 H PHE B 113 -2.482 -11.834 -1.322 1.00 0.00 H new ATOM 0 HA PHE B 113 -3.926 -12.208 -3.836 1.00 0.00 H new ATOM 0 HB2 PHE B 113 -1.119 -11.000 -3.564 1.00 0.00 H new ATOM 0 HB3 PHE B 113 -1.776 -11.603 -5.073 1.00 0.00 H new ATOM 0 HD1 PHE B 113 -2.295 -9.044 -2.448 1.00 0.00 H new ATOM 0 HD2 PHE B 113 -3.140 -10.234 -6.415 1.00 0.00 H new ATOM 0 HE1 PHE B 113 -3.302 -6.801 -2.906 1.00 0.00 H new ATOM 0 HE2 PHE B 113 -4.147 -7.992 -6.873 1.00 0.00 H new ATOM 0 HZ PHE B 113 -4.214 -6.302 -5.113 1.00 0.00 H new ATOM 2242 N TRP B 114 -2.647 -14.313 -4.207 1.00 0.00 N ATOM 2243 CA TRP B 114 -2.094 -15.656 -4.247 1.00 0.00 C ATOM 2244 C TRP B 114 -1.006 -15.688 -5.322 1.00 0.00 C ATOM 2245 O TRP B 114 -1.285 -15.469 -6.499 1.00 0.00 O ATOM 2246 CB TRP B 114 -3.194 -16.695 -4.478 1.00 0.00 C ATOM 2247 CG TRP B 114 -2.711 -18.143 -4.384 1.00 0.00 C ATOM 2248 CD1 TRP B 114 -2.329 -18.952 -5.383 1.00 0.00 C ATOM 2249 CD2 TRP B 114 -2.572 -18.927 -3.181 1.00 0.00 C ATOM 2250 NE1 TRP B 114 -1.957 -20.195 -4.913 1.00 0.00 N ATOM 2251 CE2 TRP B 114 -2.109 -20.179 -3.531 1.00 0.00 C ATOM 2252 CE3 TRP B 114 -2.830 -18.590 -1.840 1.00 0.00 C ATOM 2253 CZ2 TRP B 114 -1.863 -21.194 -2.599 1.00 0.00 C ATOM 2254 CZ3 TRP B 114 -2.579 -19.616 -0.921 1.00 0.00 C ATOM 2255 CH2 TRP B 114 -2.113 -20.881 -1.257 1.00 0.00 C ATOM 0 H TRP B 114 -3.308 -14.102 -4.954 1.00 0.00 H new ATOM 0 HA TRP B 114 -1.644 -15.916 -3.289 1.00 0.00 H new ATOM 0 HB2 TRP B 114 -3.987 -16.539 -3.746 1.00 0.00 H new ATOM 0 HB3 TRP B 114 -3.633 -16.532 -5.463 1.00 0.00 H new ATOM 0 HD1 TRP B 114 -2.314 -18.667 -6.425 1.00 0.00 H new ATOM 0 HE1 TRP B 114 -1.631 -20.981 -5.476 1.00 0.00 H new ATOM 0 HE3 TRP B 114 -3.193 -17.617 -1.543 1.00 0.00 H new ATOM 0 HZ2 TRP B 114 -1.500 -22.166 -2.899 1.00 0.00 H new ATOM 0 HZ3 TRP B 114 -2.761 -19.409 0.123 1.00 0.00 H new ATOM 0 HH2 TRP B 114 -1.944 -21.619 -0.487 1.00 0.00 H new ATOM 2266 N CYS B 115 0.212 -15.962 -4.878 1.00 0.00 N ATOM 2267 CA CYS B 115 1.343 -16.025 -5.787 1.00 0.00 C ATOM 2268 C CYS B 115 1.742 -17.493 -5.956 1.00 0.00 C ATOM 2269 O CYS B 115 1.536 -18.304 -5.055 1.00 0.00 O ATOM 2270 CB CYS B 115 2.512 -15.169 -5.296 1.00 0.00 C ATOM 2271 SG CYS B 115 1.947 -13.456 -4.987 1.00 0.00 S ATOM 0 H CYS B 115 0.440 -16.143 -3.900 1.00 0.00 H new ATOM 0 HA CYS B 115 1.058 -15.613 -6.755 1.00 0.00 H new ATOM 0 HB2 CYS B 115 2.926 -15.594 -4.382 1.00 0.00 H new ATOM 0 HB3 CYS B 115 3.310 -15.169 -6.038 1.00 0.00 H new ATOM 0 HG CYS B 115 2.352 -13.070 -3.814 1.00 0.00 H new ATOM 2277 N GLU B 116 2.306 -17.789 -7.118 1.00 0.00 N ATOM 2278 CA GLU B 116 2.736 -19.145 -7.416 1.00 0.00 C ATOM 2279 C GLU B 116 4.138 -19.135 -8.029 1.00 0.00 C ATOM 2280 O GLU B 116 4.395 -18.409 -8.988 1.00 0.00 O ATOM 2281 CB GLU B 116 1.739 -19.845 -8.342 1.00 0.00 C ATOM 2282 CG GLU B 116 0.537 -20.371 -7.555 1.00 0.00 C ATOM 2283 CD GLU B 116 0.213 -21.814 -7.949 1.00 0.00 C ATOM 2284 OE1 GLU B 116 1.174 -22.610 -8.028 1.00 0.00 O ATOM 2285 OE2 GLU B 116 -0.988 -22.088 -8.163 1.00 0.00 O ATOM 0 H GLU B 116 2.475 -17.114 -7.864 1.00 0.00 H new ATOM 0 HA GLU B 116 2.772 -19.707 -6.483 1.00 0.00 H new ATOM 0 HB2 GLU B 116 1.400 -19.149 -9.110 1.00 0.00 H new ATOM 0 HB3 GLU B 116 2.232 -20.671 -8.855 1.00 0.00 H new ATOM 0 HG2 GLU B 116 0.747 -20.320 -6.487 1.00 0.00 H new ATOM 0 HG3 GLU B 116 -0.330 -19.736 -7.740 1.00 0.00 H new ATOM 2292 N PRO B 117 5.031 -19.970 -7.433 1.00 0.00 N ATOM 2293 CA PRO B 117 4.645 -20.796 -6.302 1.00 0.00 C ATOM 2294 C PRO B 117 4.526 -19.958 -5.027 1.00 0.00 C ATOM 2295 O PRO B 117 3.469 -19.923 -4.399 1.00 0.00 O ATOM 2296 CB PRO B 117 5.720 -21.867 -6.211 1.00 0.00 C ATOM 2297 CG PRO B 117 6.907 -21.333 -6.995 1.00 0.00 C ATOM 2298 CD PRO B 117 6.427 -20.150 -7.820 1.00 0.00 C ATOM 0 HA PRO B 117 3.661 -21.248 -6.428 1.00 0.00 H new ATOM 0 HB2 PRO B 117 5.992 -22.060 -5.173 1.00 0.00 H new ATOM 0 HB3 PRO B 117 5.368 -22.810 -6.629 1.00 0.00 H new ATOM 0 HG2 PRO B 117 7.705 -21.028 -6.318 1.00 0.00 H new ATOM 0 HG3 PRO B 117 7.317 -22.108 -7.642 1.00 0.00 H new ATOM 0 HD2 PRO B 117 7.015 -19.256 -7.610 1.00 0.00 H new ATOM 0 HD3 PRO B 117 6.519 -20.348 -8.888 1.00 0.00 H new ATOM 2306 N ASN B 118 5.626 -19.304 -4.683 1.00 0.00 N ATOM 2307 CA ASN B 118 5.658 -18.469 -3.494 1.00 0.00 C ATOM 2308 C ASN B 118 5.581 -16.998 -3.907 1.00 0.00 C ATOM 2309 O ASN B 118 5.652 -16.678 -5.093 1.00 0.00 O ATOM 2310 CB ASN B 118 6.958 -18.673 -2.713 1.00 0.00 C ATOM 2311 CG ASN B 118 8.171 -18.620 -3.644 1.00 0.00 C ATOM 2312 OD1 ASN B 118 8.057 -18.437 -4.845 1.00 0.00 O ATOM 2313 ND2 ASN B 118 9.336 -18.790 -3.025 1.00 0.00 N ATOM 0 H ASN B 118 6.501 -19.335 -5.206 1.00 0.00 H new ATOM 0 HA ASN B 118 4.812 -18.745 -2.865 1.00 0.00 H new ATOM 0 HB2 ASN B 118 7.050 -17.904 -1.946 1.00 0.00 H new ATOM 0 HB3 ASN B 118 6.931 -19.634 -2.199 1.00 0.00 H new ATOM 0 HD21 ASN B 118 10.205 -18.771 -3.559 1.00 0.00 H new ATOM 0 HD22 ASN B 118 9.361 -18.939 -2.016 1.00 0.00 H new ATOM 2320 N ALA B 119 5.437 -16.142 -2.906 1.00 0.00 N ATOM 2321 CA ALA B 119 5.349 -14.712 -3.151 1.00 0.00 C ATOM 2322 C ALA B 119 6.728 -14.080 -2.952 1.00 0.00 C ATOM 2323 O ALA B 119 6.842 -12.995 -2.384 1.00 0.00 O ATOM 2324 CB ALA B 119 4.290 -14.101 -2.231 1.00 0.00 C ATOM 0 H ALA B 119 5.379 -16.411 -1.924 1.00 0.00 H new ATOM 0 HA ALA B 119 5.041 -14.516 -4.178 1.00 0.00 H new ATOM 0 HB1 ALA B 119 4.224 -13.029 -2.414 1.00 0.00 H new ATOM 0 HB2 ALA B 119 3.324 -14.564 -2.431 1.00 0.00 H new ATOM 0 HB3 ALA B 119 4.567 -14.275 -1.191 1.00 0.00 H new ATOM 2330 N ALA B 120 7.742 -14.785 -3.432 1.00 0.00 N ATOM 2331 CA ALA B 120 9.109 -14.306 -3.315 1.00 0.00 C ATOM 2332 C ALA B 120 9.329 -13.158 -4.302 1.00 0.00 C ATOM 2333 O ALA B 120 9.588 -12.026 -3.895 1.00 0.00 O ATOM 2334 CB ALA B 120 10.078 -15.467 -3.546 1.00 0.00 C ATOM 0 H ALA B 120 7.644 -15.685 -3.903 1.00 0.00 H new ATOM 0 HA ALA B 120 9.296 -13.920 -2.313 1.00 0.00 H new ATOM 0 HB1 ALA B 120 11.103 -15.108 -3.458 1.00 0.00 H new ATOM 0 HB2 ALA B 120 9.900 -16.243 -2.801 1.00 0.00 H new ATOM 0 HB3 ALA B 120 9.922 -15.878 -4.543 1.00 0.00 H new ATOM 2340 N ASN B 121 9.217 -13.489 -5.580 1.00 0.00 N ATOM 2341 CA ASN B 121 9.401 -12.499 -6.628 1.00 0.00 C ATOM 2342 C ASN B 121 8.393 -11.364 -6.434 1.00 0.00 C ATOM 2343 O ASN B 121 8.707 -10.201 -6.681 1.00 0.00 O ATOM 2344 CB ASN B 121 9.164 -13.110 -8.011 1.00 0.00 C ATOM 2345 CG ASN B 121 10.419 -13.824 -8.517 1.00 0.00 C ATOM 2346 OD1 ASN B 121 11.498 -13.260 -8.590 1.00 0.00 O ATOM 2347 ND2 ASN B 121 10.218 -15.092 -8.862 1.00 0.00 N ATOM 0 H ASN B 121 9.001 -14.428 -5.914 1.00 0.00 H new ATOM 0 HA ASN B 121 10.425 -12.130 -6.567 1.00 0.00 H new ATOM 0 HB2 ASN B 121 8.334 -13.815 -7.964 1.00 0.00 H new ATOM 0 HB3 ASN B 121 8.878 -12.328 -8.714 1.00 0.00 H new ATOM 0 HD21 ASN B 121 10.993 -15.654 -9.213 1.00 0.00 H new ATOM 0 HD22 ASN B 121 9.288 -15.503 -8.776 1.00 0.00 H new ATOM 2354 N VAL B 122 7.202 -11.742 -5.994 1.00 0.00 N ATOM 2355 CA VAL B 122 6.146 -10.771 -5.764 1.00 0.00 C ATOM 2356 C VAL B 122 6.537 -9.867 -4.593 1.00 0.00 C ATOM 2357 O VAL B 122 6.755 -8.670 -4.774 1.00 0.00 O ATOM 2358 CB VAL B 122 4.813 -11.489 -5.545 1.00 0.00 C ATOM 2359 CG1 VAL B 122 3.874 -10.649 -4.677 1.00 0.00 C ATOM 2360 CG2 VAL B 122 4.155 -11.842 -6.881 1.00 0.00 C ATOM 0 H VAL B 122 6.945 -12.708 -5.791 1.00 0.00 H new ATOM 0 HA VAL B 122 6.017 -10.133 -6.639 1.00 0.00 H new ATOM 0 HB VAL B 122 5.017 -12.419 -5.015 1.00 0.00 H new ATOM 0 HG11 VAL B 122 2.934 -11.182 -4.537 1.00 0.00 H new ATOM 0 HG12 VAL B 122 4.338 -10.470 -3.707 1.00 0.00 H new ATOM 0 HG13 VAL B 122 3.680 -9.695 -5.168 1.00 0.00 H new ATOM 0 HG21 VAL B 122 3.209 -12.352 -6.697 1.00 0.00 H new ATOM 0 HG22 VAL B 122 3.971 -10.930 -7.448 1.00 0.00 H new ATOM 0 HG23 VAL B 122 4.815 -12.497 -7.450 1.00 0.00 H new ATOM 2370 N SER B 123 6.614 -10.474 -3.418 1.00 0.00 N ATOM 2371 CA SER B 123 6.974 -9.739 -2.217 1.00 0.00 C ATOM 2372 C SER B 123 8.226 -8.897 -2.476 1.00 0.00 C ATOM 2373 O SER B 123 8.318 -7.759 -2.019 1.00 0.00 O ATOM 2374 CB SER B 123 7.206 -10.687 -1.040 1.00 0.00 C ATOM 2375 OG SER B 123 8.397 -11.454 -1.198 1.00 0.00 O ATOM 0 H SER B 123 6.433 -11.467 -3.272 1.00 0.00 H new ATOM 0 HA SER B 123 6.146 -9.079 -1.958 1.00 0.00 H new ATOM 0 HB2 SER B 123 7.266 -10.111 -0.117 1.00 0.00 H new ATOM 0 HB3 SER B 123 6.353 -11.358 -0.942 1.00 0.00 H new ATOM 0 HG SER B 123 8.255 -12.141 -1.882 1.00 0.00 H new ATOM 2381 N GLU B 124 9.158 -9.490 -3.207 1.00 0.00 N ATOM 2382 CA GLU B 124 10.400 -8.809 -3.531 1.00 0.00 C ATOM 2383 C GLU B 124 10.140 -7.675 -4.524 1.00 0.00 C ATOM 2384 O GLU B 124 10.510 -6.529 -4.273 1.00 0.00 O ATOM 2385 CB GLU B 124 11.437 -9.792 -4.081 1.00 0.00 C ATOM 2386 CG GLU B 124 12.562 -9.052 -4.806 1.00 0.00 C ATOM 2387 CD GLU B 124 13.636 -10.028 -5.292 1.00 0.00 C ATOM 2388 OE1 GLU B 124 13.262 -10.955 -6.043 1.00 0.00 O ATOM 2389 OE2 GLU B 124 14.806 -9.825 -4.901 1.00 0.00 O ATOM 0 H GLU B 124 9.078 -10.434 -3.584 1.00 0.00 H new ATOM 0 HA GLU B 124 10.805 -8.378 -2.615 1.00 0.00 H new ATOM 0 HB2 GLU B 124 11.852 -10.383 -3.265 1.00 0.00 H new ATOM 0 HB3 GLU B 124 10.955 -10.489 -4.766 1.00 0.00 H new ATOM 0 HG2 GLU B 124 12.153 -8.503 -5.655 1.00 0.00 H new ATOM 0 HG3 GLU B 124 13.009 -8.317 -4.137 1.00 0.00 H new ATOM 2396 N ALA B 125 9.505 -8.033 -5.630 1.00 0.00 N ATOM 2397 CA ALA B 125 9.191 -7.059 -6.662 1.00 0.00 C ATOM 2398 C ALA B 125 8.565 -5.822 -6.015 1.00 0.00 C ATOM 2399 O ALA B 125 8.658 -4.721 -6.556 1.00 0.00 O ATOM 2400 CB ALA B 125 8.273 -7.699 -7.705 1.00 0.00 C ATOM 0 H ALA B 125 9.199 -8.984 -5.834 1.00 0.00 H new ATOM 0 HA ALA B 125 10.097 -6.739 -7.177 1.00 0.00 H new ATOM 0 HB1 ALA B 125 8.037 -6.969 -8.479 1.00 0.00 H new ATOM 0 HB2 ALA B 125 8.775 -8.556 -8.155 1.00 0.00 H new ATOM 0 HB3 ALA B 125 7.352 -8.029 -7.225 1.00 0.00 H new ATOM 2406 N VAL B 126 7.942 -6.044 -4.867 1.00 0.00 N ATOM 2407 CA VAL B 126 7.302 -4.961 -4.141 1.00 0.00 C ATOM 2408 C VAL B 126 8.280 -4.394 -3.110 1.00 0.00 C ATOM 2409 O VAL B 126 8.493 -3.185 -3.050 1.00 0.00 O ATOM 2410 CB VAL B 126 5.993 -5.450 -3.517 1.00 0.00 C ATOM 2411 CG1 VAL B 126 5.167 -4.278 -2.985 1.00 0.00 C ATOM 2412 CG2 VAL B 126 5.187 -6.281 -4.517 1.00 0.00 C ATOM 0 H VAL B 126 7.867 -6.959 -4.422 1.00 0.00 H new ATOM 0 HA VAL B 126 7.040 -4.150 -4.820 1.00 0.00 H new ATOM 0 HB VAL B 126 6.243 -6.092 -2.673 1.00 0.00 H new ATOM 0 HG11 VAL B 126 4.242 -4.654 -2.547 1.00 0.00 H new ATOM 0 HG12 VAL B 126 5.738 -3.746 -2.225 1.00 0.00 H new ATOM 0 HG13 VAL B 126 4.931 -3.598 -3.804 1.00 0.00 H new ATOM 0 HG21 VAL B 126 4.262 -6.616 -4.049 1.00 0.00 H new ATOM 0 HG22 VAL B 126 4.952 -5.672 -5.390 1.00 0.00 H new ATOM 0 HG23 VAL B 126 5.772 -7.147 -4.825 1.00 0.00 H new ATOM 2422 N GLN B 127 8.850 -5.297 -2.324 1.00 0.00 N ATOM 2423 CA GLN B 127 9.801 -4.902 -1.299 1.00 0.00 C ATOM 2424 C GLN B 127 10.936 -4.083 -1.915 1.00 0.00 C ATOM 2425 O GLN B 127 11.512 -3.219 -1.255 1.00 0.00 O ATOM 2426 CB GLN B 127 10.346 -6.125 -0.557 1.00 0.00 C ATOM 2427 CG GLN B 127 10.920 -5.729 0.805 1.00 0.00 C ATOM 2428 CD GLN B 127 12.259 -6.424 1.058 1.00 0.00 C ATOM 2429 OE1 GLN B 127 12.841 -7.044 0.184 1.00 0.00 O ATOM 2430 NE2 GLN B 127 12.714 -6.285 2.300 1.00 0.00 N ATOM 0 H GLN B 127 8.671 -6.300 -2.377 1.00 0.00 H new ATOM 0 HA GLN B 127 9.283 -4.277 -0.571 1.00 0.00 H new ATOM 0 HB2 GLN B 127 9.550 -6.857 -0.421 1.00 0.00 H new ATOM 0 HB3 GLN B 127 11.120 -6.604 -1.157 1.00 0.00 H new ATOM 0 HG2 GLN B 127 11.054 -4.648 0.847 1.00 0.00 H new ATOM 0 HG3 GLN B 127 10.214 -5.994 1.592 1.00 0.00 H new ATOM 0 HE21 GLN B 127 12.176 -5.752 2.984 1.00 0.00 H new ATOM 0 HE22 GLN B 127 13.601 -6.711 2.569 1.00 0.00 H new ATOM 2439 N ALA B 128 11.225 -4.383 -3.173 1.00 0.00 N ATOM 2440 CA ALA B 128 12.281 -3.685 -3.885 1.00 0.00 C ATOM 2441 C ALA B 128 11.723 -2.386 -4.471 1.00 0.00 C ATOM 2442 O ALA B 128 12.462 -1.422 -4.666 1.00 0.00 O ATOM 2443 CB ALA B 128 12.867 -4.604 -4.959 1.00 0.00 C ATOM 0 H ALA B 128 10.746 -5.100 -3.717 1.00 0.00 H new ATOM 0 HA ALA B 128 13.091 -3.419 -3.206 1.00 0.00 H new ATOM 0 HB1 ALA B 128 13.660 -4.080 -5.493 1.00 0.00 H new ATOM 0 HB2 ALA B 128 13.276 -5.498 -4.489 1.00 0.00 H new ATOM 0 HB3 ALA B 128 12.083 -4.889 -5.661 1.00 0.00 H new ATOM 2449 N ALA B 129 10.425 -2.403 -4.734 1.00 0.00 N ATOM 2450 CA ALA B 129 9.760 -1.238 -5.294 1.00 0.00 C ATOM 2451 C ALA B 129 9.790 -0.099 -4.272 1.00 0.00 C ATOM 2452 O ALA B 129 10.072 1.046 -4.622 1.00 0.00 O ATOM 2453 CB ALA B 129 8.335 -1.613 -5.707 1.00 0.00 C ATOM 0 H ALA B 129 9.816 -3.204 -4.570 1.00 0.00 H new ATOM 0 HA ALA B 129 10.279 -0.893 -6.188 1.00 0.00 H new ATOM 0 HB1 ALA B 129 7.836 -0.740 -6.127 1.00 0.00 H new ATOM 0 HB2 ALA B 129 8.369 -2.406 -6.455 1.00 0.00 H new ATOM 0 HB3 ALA B 129 7.783 -1.961 -4.834 1.00 0.00 H new ATOM 2459 N CYS B 130 9.495 -0.454 -3.030 1.00 0.00 N ATOM 2460 CA CYS B 130 9.484 0.524 -1.956 1.00 0.00 C ATOM 2461 C CYS B 130 10.812 1.284 -1.984 1.00 0.00 C ATOM 2462 O CYS B 130 10.845 2.492 -1.756 1.00 0.00 O ATOM 2463 CB CYS B 130 9.231 -0.131 -0.597 1.00 0.00 C ATOM 2464 SG CYS B 130 7.432 -0.334 -0.325 1.00 0.00 S ATOM 0 H CYS B 130 9.262 -1.405 -2.744 1.00 0.00 H new ATOM 0 HA CYS B 130 8.662 1.224 -2.107 1.00 0.00 H new ATOM 0 HB2 CYS B 130 9.725 -1.101 -0.554 1.00 0.00 H new ATOM 0 HB3 CYS B 130 9.660 0.481 0.196 1.00 0.00 H new ATOM 0 HG CYS B 130 7.147 -0.063 0.914 1.00 0.00 H new