USER MOD reduce.3.24.130724 H: found=0, std=0, add=1176, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1179 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 TYR OH : rot 17:sc= 0.129 USER MOD Set 1.2: B 68 SER OG : rot -94:sc= 1.22 USER MOD Set 2.1: A 68 SER OG : rot -137:sc= -0.0456 USER MOD Set 2.2: B 14 TYR OH : rot 28:sc= 0.124 USER MOD Set 3.1: A 57 SER OG : rot 180:sc= 0.00146 USER MOD Set 3.2: B 57 SER OG : rot 95:sc= 0.399 USER MOD Set 3.3: B 59 THR OG1 : rot 81:sc= 0.423 USER MOD Single : A 2 LYS NZ :NH3+ -154:sc= -0.0588 (180deg=-0.449) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -170:sc= 0.518 (180deg=0.451) USER MOD Single : A 20 SER OG : rot 180:sc= -1.37 USER MOD Single : A 21 HIS : no HD1:sc= -3.17! C(o=-3.2!,f=-3.2!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 110:sc= -0.966 USER MOD Single : A 38 ASN : amide:sc= -0.274 X(o=-0.27,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.28) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.234 K(o=-0.23,f=-5.5!) USER MOD Single : A 51 THR OG1 : rot 80:sc= 0.38 USER MOD Single : A 53 THR OG1 : rot 100:sc= -0.679 USER MOD Single : A 55 ASN : amide:sc= -0.221 K(o=-0.22,f=-3.8!) USER MOD Single : A 56 MET CE :methyl 136:sc= -1.07 (180deg=-2.49!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0973 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0401 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 178:sc= -1.89 (180deg=-2.04) USER MOD Single : A 77 GLN : amide:sc= -0.247 K(o=-0.25,f=-0.89) USER MOD Single : B 1 THR N :NH3+ 175:sc= -0.0907 (180deg=-0.137) USER MOD Single : B 1 THR OG1 : rot 180:sc= 0 USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 7 LYS NZ :NH3+ 166:sc= 0.482 (180deg=0.398) USER MOD Single : B 20 SER OG : rot 180:sc= -1.26 USER MOD Single : B 21 HIS : no HD1:sc= -3.21! C(o=-3.2!,f=-3.2!) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 29 GLN : amide:sc= -0.22 K(o=-0.22,f=-2.1!) USER MOD Single : B 31 SER OG : rot 130:sc= 0.394 USER MOD Single : B 38 ASN : amide:sc= 1.14 K(o=1.1,f=-0.29) USER MOD Single : B 40 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 51 THR OG1 : rot 71:sc= 0.476 USER MOD Single : B 53 THR OG1 : rot 170:sc= 0 USER MOD Single : B 55 ASN :FLIP amide:sc= -1.44 F(o=-2,f=-1.4) USER MOD Single : B 56 MET CE :methyl -159:sc= -1.72 (180deg=-3.76!) USER MOD Single : B 62 LYS NZ :NH3+ 167:sc=-0.000173 (180deg=-0.0915) USER MOD Single : B 63 THR OG1 : rot 180:sc= 0.0786 USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 LYS NZ :NH3+ -173:sc= -0.193 (180deg=-0.237) USER MOD Single : B 74 MET CE :methyl 154:sc= -2.01 (180deg=-3.07) USER MOD Single : B 77 GLN : amide:sc= -0.759 X(o=-0.76,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 2 14.906 -2.441 5.413 1.00 0.00 N ATOM 18 CA LYS A 2 15.592 -1.184 5.702 1.00 0.00 C ATOM 19 C LYS A 2 16.552 -0.808 4.571 1.00 0.00 C ATOM 20 O LYS A 2 17.408 -1.603 4.181 1.00 0.00 O ATOM 21 CB LYS A 2 16.355 -1.282 7.026 1.00 0.00 C ATOM 22 CG LYS A 2 16.504 0.054 7.740 1.00 0.00 C ATOM 23 CD LYS A 2 16.544 -0.119 9.252 1.00 0.00 C ATOM 24 CE LYS A 2 17.950 0.074 9.803 1.00 0.00 C ATOM 25 NZ LYS A 2 18.966 -0.706 9.039 1.00 0.00 N ATOM 0 HA LYS A 2 14.837 -0.403 5.785 1.00 0.00 H new ATOM 0 HB2 LYS A 2 15.838 -1.981 7.684 1.00 0.00 H new ATOM 0 HB3 LYS A 2 17.345 -1.696 6.836 1.00 0.00 H new ATOM 0 HG2 LYS A 2 17.417 0.546 7.405 1.00 0.00 H new ATOM 0 HG3 LYS A 2 15.673 0.706 7.470 1.00 0.00 H new ATOM 0 HD2 LYS A 2 15.869 0.598 9.718 1.00 0.00 H new ATOM 0 HD3 LYS A 2 16.184 -1.114 9.514 1.00 0.00 H new ATOM 0 HE2 LYS A 2 18.208 1.132 9.772 1.00 0.00 H new ATOM 0 HE3 LYS A 2 17.973 -0.229 10.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 19.779 -0.913 9.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 18.544 -1.598 8.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 19.285 -0.151 8.219 1.00 0.00 H new ATOM 39 N VAL A 3 16.399 0.410 4.054 1.00 0.00 N ATOM 40 CA VAL A 3 17.244 0.902 2.969 1.00 0.00 C ATOM 41 C VAL A 3 18.090 2.088 3.429 1.00 0.00 C ATOM 42 O VAL A 3 17.565 3.056 3.982 1.00 0.00 O ATOM 43 CB VAL A 3 16.398 1.333 1.750 1.00 0.00 C ATOM 44 CG1 VAL A 3 17.287 1.601 0.544 1.00 0.00 C ATOM 45 CG2 VAL A 3 15.346 0.281 1.422 1.00 0.00 C ATOM 0 H VAL A 3 15.695 1.076 4.371 1.00 0.00 H new ATOM 0 HA VAL A 3 17.898 0.081 2.677 1.00 0.00 H new ATOM 0 HB VAL A 3 15.883 2.259 2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 3 16.670 1.903 -0.303 1.00 0.00 H new ATOM 0 HG12 VAL A 3 17.992 2.397 0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 3 17.836 0.695 0.288 1.00 0.00 H new ATOM 0 HG21 VAL A 3 14.763 0.606 0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 3 15.837 -0.665 1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 3 14.685 0.148 2.278 1.00 0.00 H new ATOM 55 N THR A 4 19.400 2.010 3.197 1.00 0.00 N ATOM 56 CA THR A 4 20.310 3.082 3.590 1.00 0.00 C ATOM 57 C THR A 4 21.195 3.506 2.416 1.00 0.00 C ATOM 58 O THR A 4 22.027 2.731 1.942 1.00 0.00 O ATOM 59 CB THR A 4 21.178 2.641 4.773 1.00 0.00 C ATOM 60 OG1 THR A 4 20.390 2.008 5.769 1.00 0.00 O ATOM 61 CG2 THR A 4 21.912 3.787 5.434 1.00 0.00 C ATOM 0 H THR A 4 19.852 1.218 2.740 1.00 0.00 H new ATOM 0 HA THR A 4 19.710 3.939 3.894 1.00 0.00 H new ATOM 0 HB THR A 4 21.910 1.952 4.351 1.00 0.00 H new ATOM 0 HG1 THR A 4 20.964 1.733 6.514 1.00 0.00 H new ATOM 0 HG21 THR A 4 22.508 3.407 6.264 1.00 0.00 H new ATOM 0 HG22 THR A 4 22.567 4.267 4.707 1.00 0.00 H new ATOM 0 HG23 THR A 4 21.191 4.513 5.808 1.00 0.00 H new ATOM 69 N LEU A 5 21.003 4.742 1.955 1.00 0.00 N ATOM 70 CA LEU A 5 21.776 5.281 0.836 1.00 0.00 C ATOM 71 C LEU A 5 22.725 6.382 1.307 1.00 0.00 C ATOM 72 O LEU A 5 22.511 6.990 2.356 1.00 0.00 O ATOM 73 CB LEU A 5 20.839 5.838 -0.243 1.00 0.00 C ATOM 74 CG LEU A 5 19.904 4.819 -0.904 1.00 0.00 C ATOM 75 CD1 LEU A 5 20.679 3.597 -1.376 1.00 0.00 C ATOM 76 CD2 LEU A 5 18.792 4.413 0.055 1.00 0.00 C ATOM 0 H LEU A 5 20.317 5.391 2.341 1.00 0.00 H new ATOM 0 HA LEU A 5 22.366 4.467 0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 5 20.231 6.626 0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 5 21.446 6.304 -1.020 1.00 0.00 H new ATOM 0 HG LEU A 5 19.451 5.289 -1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 5 19.993 2.889 -1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 5 21.433 3.902 -2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 5 21.166 3.124 -0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 5 18.138 3.689 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 5 19.227 3.966 0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 5 18.214 5.293 0.335 1.00 0.00 H new ATOM 88 N VAL A 6 23.771 6.640 0.521 1.00 0.00 N ATOM 89 CA VAL A 6 24.748 7.675 0.855 1.00 0.00 C ATOM 90 C VAL A 6 25.085 8.525 -0.369 1.00 0.00 C ATOM 91 O VAL A 6 25.868 8.111 -1.227 1.00 0.00 O ATOM 92 CB VAL A 6 26.050 7.075 1.427 1.00 0.00 C ATOM 93 CG1 VAL A 6 26.958 8.176 1.959 1.00 0.00 C ATOM 94 CG2 VAL A 6 25.743 6.057 2.516 1.00 0.00 C ATOM 0 H VAL A 6 23.963 6.146 -0.351 1.00 0.00 H new ATOM 0 HA VAL A 6 24.289 8.302 1.619 1.00 0.00 H new ATOM 0 HB VAL A 6 26.572 6.560 0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 6 27.871 7.734 2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 6 27.211 8.862 1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 6 26.443 8.722 2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 6 26.675 5.647 2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 6 25.195 6.542 3.324 1.00 0.00 H new ATOM 0 HG23 VAL A 6 25.138 5.251 2.101 1.00 0.00 H new ATOM 104 N LYS A 7 24.488 9.712 -0.443 1.00 0.00 N ATOM 105 CA LYS A 7 24.723 10.621 -1.563 1.00 0.00 C ATOM 106 C LYS A 7 26.106 11.271 -1.464 1.00 0.00 C ATOM 107 O LYS A 7 26.538 11.672 -0.382 1.00 0.00 O ATOM 108 CB LYS A 7 23.633 11.700 -1.620 1.00 0.00 C ATOM 109 CG LYS A 7 23.523 12.541 -0.363 1.00 0.00 C ATOM 110 CD LYS A 7 23.146 13.978 -0.686 1.00 0.00 C ATOM 111 CE LYS A 7 21.678 14.252 -0.403 1.00 0.00 C ATOM 112 NZ LYS A 7 21.284 15.635 -0.789 1.00 0.00 N ATOM 0 H LYS A 7 23.838 10.067 0.259 1.00 0.00 H new ATOM 0 HA LYS A 7 24.686 10.036 -2.482 1.00 0.00 H new ATOM 0 HB2 LYS A 7 23.832 12.357 -2.467 1.00 0.00 H new ATOM 0 HB3 LYS A 7 22.672 11.220 -1.808 1.00 0.00 H new ATOM 0 HG2 LYS A 7 22.775 12.108 0.302 1.00 0.00 H new ATOM 0 HG3 LYS A 7 24.473 12.524 0.172 1.00 0.00 H new ATOM 0 HD2 LYS A 7 23.763 14.657 -0.097 1.00 0.00 H new ATOM 0 HD3 LYS A 7 23.359 14.183 -1.735 1.00 0.00 H new ATOM 0 HE2 LYS A 7 21.064 13.535 -0.948 1.00 0.00 H new ATOM 0 HE3 LYS A 7 21.479 14.101 0.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 20.330 15.838 -0.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 21.959 16.314 -0.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 21.287 15.720 -1.825 1.00 0.00 H new ATOM 212 N GLU A 13 22.403 12.248 -7.018 1.00 0.00 N ATOM 213 CA GLU A 13 21.366 12.044 -6.010 1.00 0.00 C ATOM 214 C GLU A 13 20.887 10.593 -5.992 1.00 0.00 C ATOM 215 O GLU A 13 21.349 9.765 -6.779 1.00 0.00 O ATOM 216 CB GLU A 13 20.181 12.980 -6.270 1.00 0.00 C ATOM 217 CG GLU A 13 20.309 14.339 -5.596 1.00 0.00 C ATOM 218 CD GLU A 13 20.612 14.236 -4.110 1.00 0.00 C ATOM 219 OE1 GLU A 13 19.914 13.472 -3.410 1.00 0.00 O ATOM 220 OE2 GLU A 13 21.548 14.921 -3.646 1.00 0.00 O ATOM 0 HA GLU A 13 21.799 12.273 -5.036 1.00 0.00 H new ATOM 0 HB2 GLU A 13 20.076 13.127 -7.345 1.00 0.00 H new ATOM 0 HB3 GLU A 13 19.267 12.498 -5.923 1.00 0.00 H new ATOM 0 HG2 GLU A 13 21.100 14.908 -6.084 1.00 0.00 H new ATOM 0 HG3 GLU A 13 19.383 14.897 -5.735 1.00 0.00 H new ATOM 227 N TYR A 14 19.950 10.296 -5.089 1.00 0.00 N ATOM 228 CA TYR A 14 19.394 8.945 -4.967 1.00 0.00 C ATOM 229 C TYR A 14 18.582 8.575 -6.207 1.00 0.00 C ATOM 230 O TYR A 14 18.501 7.402 -6.575 1.00 0.00 O ATOM 231 CB TYR A 14 18.514 8.829 -3.719 1.00 0.00 C ATOM 232 CG TYR A 14 19.110 9.476 -2.484 1.00 0.00 C ATOM 233 CD1 TYR A 14 20.054 8.810 -1.711 1.00 0.00 C ATOM 234 CD2 TYR A 14 18.729 10.754 -2.097 1.00 0.00 C ATOM 235 CE1 TYR A 14 20.601 9.400 -0.587 1.00 0.00 C ATOM 236 CE2 TYR A 14 19.270 11.351 -0.975 1.00 0.00 C ATOM 237 CZ TYR A 14 20.205 10.671 -0.223 1.00 0.00 C ATOM 238 OH TYR A 14 20.746 11.262 0.899 1.00 0.00 O ATOM 0 H TYR A 14 19.560 10.972 -4.432 1.00 0.00 H new ATOM 0 HA TYR A 14 20.230 8.251 -4.875 1.00 0.00 H new ATOM 0 HB2 TYR A 14 17.546 9.286 -3.925 1.00 0.00 H new ATOM 0 HB3 TYR A 14 18.331 7.775 -3.512 1.00 0.00 H new ATOM 0 HD1 TYR A 14 20.365 7.815 -1.993 1.00 0.00 H new ATOM 0 HD2 TYR A 14 17.997 11.290 -2.683 1.00 0.00 H new ATOM 0 HE1 TYR A 14 21.334 8.870 0.003 1.00 0.00 H new ATOM 0 HE2 TYR A 14 18.962 12.346 -0.688 1.00 0.00 H new ATOM 0 HH TYR A 14 21.562 10.786 1.158 1.00 0.00 H new ATOM 248 N GLY A 15 17.985 9.585 -6.844 1.00 0.00 N ATOM 249 CA GLY A 15 17.189 9.359 -8.037 1.00 0.00 C ATOM 250 C GLY A 15 16.040 8.391 -7.813 1.00 0.00 C ATOM 251 O GLY A 15 15.837 7.472 -8.605 1.00 0.00 O ATOM 0 H GLY A 15 18.041 10.560 -6.550 1.00 0.00 H new ATOM 0 HA2 GLY A 15 16.791 10.312 -8.386 1.00 0.00 H new ATOM 0 HA3 GLY A 15 17.832 8.973 -8.828 1.00 0.00 H new ATOM 255 N LEU A 16 15.286 8.595 -6.734 1.00 0.00 N ATOM 256 CA LEU A 16 14.153 7.726 -6.421 1.00 0.00 C ATOM 257 C LEU A 16 12.837 8.503 -6.462 1.00 0.00 C ATOM 258 O LEU A 16 12.652 9.474 -5.727 1.00 0.00 O ATOM 259 CB LEU A 16 14.342 7.060 -5.050 1.00 0.00 C ATOM 260 CG LEU A 16 14.503 8.015 -3.862 1.00 0.00 C ATOM 261 CD1 LEU A 16 13.218 8.082 -3.051 1.00 0.00 C ATOM 262 CD2 LEU A 16 15.667 7.582 -2.980 1.00 0.00 C ATOM 0 H LEU A 16 15.438 9.350 -6.065 1.00 0.00 H new ATOM 0 HA LEU A 16 14.109 6.946 -7.181 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.485 6.414 -4.859 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.221 6.417 -5.097 1.00 0.00 H new ATOM 0 HG LEU A 16 14.717 9.011 -4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.352 8.765 -2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.406 8.440 -3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.973 7.089 -2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 16 15.765 8.272 -2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.483 6.576 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 16 16.587 7.587 -3.564 1.00 0.00 H new ATOM 274 N ARG A 17 11.926 8.065 -7.334 1.00 0.00 N ATOM 275 CA ARG A 17 10.622 8.712 -7.484 1.00 0.00 C ATOM 276 C ARG A 17 9.725 8.409 -6.287 1.00 0.00 C ATOM 277 O ARG A 17 9.461 7.248 -5.975 1.00 0.00 O ATOM 278 CB ARG A 17 9.938 8.245 -8.775 1.00 0.00 C ATOM 279 CG ARG A 17 10.516 8.868 -10.037 1.00 0.00 C ATOM 280 CD ARG A 17 9.432 9.498 -10.899 1.00 0.00 C ATOM 281 NE ARG A 17 9.668 10.923 -11.129 1.00 0.00 N ATOM 282 CZ ARG A 17 10.520 11.404 -12.040 1.00 0.00 C ATOM 283 NH1 ARG A 17 11.229 10.576 -12.807 1.00 0.00 N ATOM 284 NH2 ARG A 17 10.664 12.716 -12.184 1.00 0.00 N ATOM 0 H ARG A 17 12.069 7.263 -7.948 1.00 0.00 H new ATOM 0 HA ARG A 17 10.784 9.789 -7.535 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.020 7.160 -8.846 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.876 8.482 -8.718 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.251 9.625 -9.765 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.041 8.105 -10.612 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.385 8.980 -11.857 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.464 9.365 -10.417 1.00 0.00 H new ATOM 0 HE ARG A 17 9.150 11.592 -10.559 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.124 9.567 -12.701 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.877 10.951 -13.500 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.125 13.355 -11.600 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.314 13.085 -12.879 1.00 0.00 H new ATOM 298 N LEU A 18 9.265 9.463 -5.617 1.00 0.00 N ATOM 299 CA LEU A 18 8.403 9.313 -4.447 1.00 0.00 C ATOM 300 C LEU A 18 6.941 9.586 -4.792 1.00 0.00 C ATOM 301 O LEU A 18 6.632 10.510 -5.547 1.00 0.00 O ATOM 302 CB LEU A 18 8.855 10.264 -3.335 1.00 0.00 C ATOM 303 CG LEU A 18 9.089 9.613 -1.970 1.00 0.00 C ATOM 304 CD1 LEU A 18 7.799 9.018 -1.426 1.00 0.00 C ATOM 305 CD2 LEU A 18 10.175 8.551 -2.062 1.00 0.00 C ATOM 0 H LEU A 18 9.475 10.430 -5.864 1.00 0.00 H new ATOM 0 HA LEU A 18 8.486 8.282 -4.103 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.778 10.751 -3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.104 11.046 -3.222 1.00 0.00 H new ATOM 0 HG LEU A 18 9.423 10.386 -1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.990 8.561 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.053 9.805 -1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.428 8.261 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.327 8.100 -1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.872 7.782 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 18 11.105 9.010 -2.398 1.00 0.00 H new ATOM 317 N ALA A 19 6.045 8.781 -4.221 1.00 0.00 N ATOM 318 CA ALA A 19 4.612 8.933 -4.453 1.00 0.00 C ATOM 319 C ALA A 19 3.808 8.559 -3.206 1.00 0.00 C ATOM 320 O ALA A 19 4.364 8.055 -2.228 1.00 0.00 O ATOM 321 CB ALA A 19 4.178 8.092 -5.643 1.00 0.00 C ATOM 0 H ALA A 19 6.289 8.015 -3.593 1.00 0.00 H new ATOM 0 HA ALA A 19 4.413 9.981 -4.675 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.107 8.215 -5.804 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.718 8.415 -6.533 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.397 7.043 -5.446 1.00 0.00 H new ATOM 327 N SER A 20 2.498 8.810 -3.240 1.00 0.00 N ATOM 328 CA SER A 20 1.633 8.498 -2.102 1.00 0.00 C ATOM 329 C SER A 20 0.293 7.909 -2.547 1.00 0.00 C ATOM 330 O SER A 20 -0.185 8.181 -3.651 1.00 0.00 O ATOM 331 CB SER A 20 1.397 9.749 -1.250 1.00 0.00 C ATOM 332 OG SER A 20 0.723 10.756 -1.984 1.00 0.00 O ATOM 0 H SER A 20 2.016 9.225 -4.037 1.00 0.00 H new ATOM 0 HA SER A 20 2.145 7.745 -1.503 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.812 9.486 -0.369 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.353 10.134 -0.894 1.00 0.00 H new ATOM 0 HG SER A 20 0.586 11.540 -1.413 1.00 0.00 H new ATOM 338 N HIS A 21 -0.304 7.099 -1.671 1.00 0.00 N ATOM 339 CA HIS A 21 -1.590 6.460 -1.948 1.00 0.00 C ATOM 340 C HIS A 21 -2.612 6.804 -0.861 1.00 0.00 C ATOM 341 O HIS A 21 -2.305 7.535 0.083 1.00 0.00 O ATOM 342 CB HIS A 21 -1.415 4.939 -2.029 1.00 0.00 C ATOM 343 CG HIS A 21 -1.482 4.402 -3.421 1.00 0.00 C ATOM 344 ND1 HIS A 21 -2.415 3.473 -3.826 1.00 0.00 N ATOM 345 CD2 HIS A 21 -0.723 4.669 -4.505 1.00 0.00 C ATOM 346 CE1 HIS A 21 -2.225 3.191 -5.102 1.00 0.00 C ATOM 347 NE2 HIS A 21 -1.204 3.904 -5.539 1.00 0.00 N ATOM 0 H HIS A 21 0.087 6.869 -0.757 1.00 0.00 H new ATOM 0 HA HIS A 21 -1.958 6.833 -2.904 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.455 4.668 -1.590 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -2.187 4.460 -1.426 1.00 0.00 H new ATOM 0 HD2 HIS A 21 0.108 5.357 -4.551 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -2.806 2.495 -5.688 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -0.833 3.889 -6.489 1.00 0.00 H new ATOM 356 N ILE A 22 -3.827 6.265 -0.995 1.00 0.00 N ATOM 357 CA ILE A 22 -4.888 6.511 -0.020 1.00 0.00 C ATOM 358 C ILE A 22 -5.560 5.204 0.404 1.00 0.00 C ATOM 359 O ILE A 22 -5.750 4.302 -0.413 1.00 0.00 O ATOM 360 CB ILE A 22 -5.957 7.477 -0.581 1.00 0.00 C ATOM 361 CG1 ILE A 22 -5.309 8.790 -1.034 1.00 0.00 C ATOM 362 CG2 ILE A 22 -7.036 7.748 0.457 1.00 0.00 C ATOM 363 CD1 ILE A 22 -4.774 9.635 0.104 1.00 0.00 C ATOM 0 H ILE A 22 -4.098 5.657 -1.768 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.420 6.971 0.850 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.424 7.004 -1.445 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.493 8.563 -1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.042 9.372 -1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.778 8.430 0.041 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.519 6.811 0.733 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.585 8.198 1.342 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.331 10.547 -0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.589 9.894 0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.016 9.073 0.649 1.00 0.00 H new ATOM 375 N PHE A 23 -5.917 5.111 1.687 1.00 0.00 N ATOM 376 CA PHE A 23 -6.568 3.914 2.223 1.00 0.00 C ATOM 377 C PHE A 23 -7.519 4.268 3.370 1.00 0.00 C ATOM 378 O PHE A 23 -7.648 5.435 3.744 1.00 0.00 O ATOM 379 CB PHE A 23 -5.516 2.910 2.710 1.00 0.00 C ATOM 380 CG PHE A 23 -4.840 3.321 3.990 1.00 0.00 C ATOM 381 CD1 PHE A 23 -3.952 4.383 4.006 1.00 0.00 C ATOM 382 CD2 PHE A 23 -5.103 2.654 5.177 1.00 0.00 C ATOM 383 CE1 PHE A 23 -3.339 4.773 5.179 1.00 0.00 C ATOM 384 CE2 PHE A 23 -4.488 3.039 6.354 1.00 0.00 C ATOM 385 CZ PHE A 23 -3.607 4.101 6.354 1.00 0.00 C ATOM 0 H PHE A 23 -5.766 5.850 2.374 1.00 0.00 H new ATOM 0 HA PHE A 23 -7.152 3.463 1.421 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.991 1.940 2.855 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.761 2.782 1.934 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.737 4.912 3.090 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.795 1.825 5.182 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.649 5.604 5.177 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.697 2.509 7.272 1.00 0.00 H new ATOM 0 HZ PHE A 23 -3.128 4.406 7.273 1.00 0.00 H new ATOM 395 N VAL A 24 -8.177 3.250 3.927 1.00 0.00 N ATOM 396 CA VAL A 24 -9.111 3.449 5.034 1.00 0.00 C ATOM 397 C VAL A 24 -8.482 3.033 6.364 1.00 0.00 C ATOM 398 O VAL A 24 -8.220 1.850 6.590 1.00 0.00 O ATOM 399 CB VAL A 24 -10.419 2.653 4.823 1.00 0.00 C ATOM 400 CG1 VAL A 24 -11.442 2.998 5.897 1.00 0.00 C ATOM 401 CG2 VAL A 24 -10.989 2.913 3.436 1.00 0.00 C ATOM 0 H VAL A 24 -8.080 2.279 3.629 1.00 0.00 H new ATOM 0 HA VAL A 24 -9.346 4.513 5.061 1.00 0.00 H new ATOM 0 HB VAL A 24 -10.186 1.591 4.904 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.354 2.426 5.728 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.036 2.752 6.878 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.669 4.063 5.855 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -11.909 2.343 3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.202 3.976 3.323 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.265 2.606 2.682 1.00 0.00 H new ATOM 411 N LYS A 25 -8.247 4.012 7.238 1.00 0.00 N ATOM 412 CA LYS A 25 -7.653 3.750 8.551 1.00 0.00 C ATOM 413 C LYS A 25 -8.507 2.765 9.356 1.00 0.00 C ATOM 414 O LYS A 25 -7.976 1.865 10.009 1.00 0.00 O ATOM 415 CB LYS A 25 -7.482 5.060 9.329 1.00 0.00 C ATOM 416 CG LYS A 25 -6.586 4.938 10.555 1.00 0.00 C ATOM 417 CD LYS A 25 -5.146 4.620 10.177 1.00 0.00 C ATOM 418 CE LYS A 25 -4.257 4.501 11.409 1.00 0.00 C ATOM 419 NZ LYS A 25 -3.434 3.259 11.390 1.00 0.00 N ATOM 0 H LYS A 25 -8.459 4.994 7.061 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.673 3.300 8.394 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.067 5.816 8.662 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.464 5.416 9.642 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.616 5.869 11.120 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.971 4.156 11.209 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.114 3.688 9.613 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.760 5.401 9.523 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.601 5.369 11.467 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.877 4.510 12.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.845 3.220 12.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.059 2.429 11.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.822 3.261 10.549 1.00 0.00 H new ATOM 433 N GLU A 26 -9.829 2.944 9.302 1.00 0.00 N ATOM 434 CA GLU A 26 -10.761 2.073 10.020 1.00 0.00 C ATOM 435 C GLU A 26 -12.210 2.455 9.710 1.00 0.00 C ATOM 436 O GLU A 26 -12.467 3.479 9.075 1.00 0.00 O ATOM 437 CB GLU A 26 -10.514 2.149 11.532 1.00 0.00 C ATOM 438 CG GLU A 26 -10.576 3.562 12.091 1.00 0.00 C ATOM 439 CD GLU A 26 -10.775 3.592 13.594 1.00 0.00 C ATOM 440 OE1 GLU A 26 -11.850 3.158 14.061 1.00 0.00 O ATOM 441 OE2 GLU A 26 -9.858 4.055 14.304 1.00 0.00 O ATOM 0 H GLU A 26 -10.279 3.687 8.767 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.590 1.050 9.685 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.253 1.533 12.043 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.536 1.723 11.753 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.654 4.087 11.841 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.392 4.102 11.610 1.00 0.00 H new ATOM 448 N ILE A 27 -13.155 1.630 10.165 1.00 0.00 N ATOM 449 CA ILE A 27 -14.575 1.894 9.938 1.00 0.00 C ATOM 450 C ILE A 27 -15.353 1.875 11.252 1.00 0.00 C ATOM 451 O ILE A 27 -15.083 1.057 12.133 1.00 0.00 O ATOM 452 CB ILE A 27 -15.205 0.875 8.960 1.00 0.00 C ATOM 453 CG1 ILE A 27 -14.355 0.745 7.692 1.00 0.00 C ATOM 454 CG2 ILE A 27 -16.623 1.298 8.606 1.00 0.00 C ATOM 455 CD1 ILE A 27 -13.648 -0.586 7.569 1.00 0.00 C ATOM 0 H ILE A 27 -12.963 0.777 10.691 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.638 2.886 9.492 1.00 0.00 H new ATOM 0 HB ILE A 27 -15.240 -0.099 9.449 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -14.994 0.889 6.821 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -13.613 1.543 7.679 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -17.057 0.574 7.917 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.226 1.343 9.513 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.603 2.280 8.134 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -13.066 -0.605 6.648 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.983 -0.725 8.421 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -14.385 -1.389 7.549 1.00 0.00 H new ATOM 467 N SER A 28 -16.320 2.782 11.375 1.00 0.00 N ATOM 468 CA SER A 28 -17.140 2.875 12.580 1.00 0.00 C ATOM 469 C SER A 28 -18.292 1.876 12.539 1.00 0.00 C ATOM 470 O SER A 28 -18.824 1.568 11.471 1.00 0.00 O ATOM 471 CB SER A 28 -17.687 4.295 12.734 1.00 0.00 C ATOM 472 OG SER A 28 -18.249 4.487 14.021 1.00 0.00 O ATOM 0 H SER A 28 -16.555 3.464 10.653 1.00 0.00 H new ATOM 0 HA SER A 28 -16.511 2.636 13.437 1.00 0.00 H new ATOM 0 HB2 SER A 28 -16.886 5.016 12.572 1.00 0.00 H new ATOM 0 HB3 SER A 28 -18.443 4.482 11.972 1.00 0.00 H new ATOM 0 HG SER A 28 -18.590 5.403 14.096 1.00 0.00 H new ATOM 478 N GLN A 29 -18.678 1.378 13.712 1.00 0.00 N ATOM 479 CA GLN A 29 -19.773 0.418 13.816 1.00 0.00 C ATOM 480 C GLN A 29 -21.116 1.110 13.600 1.00 0.00 C ATOM 481 O GLN A 29 -21.285 2.277 13.955 1.00 0.00 O ATOM 482 CB GLN A 29 -19.755 -0.276 15.181 1.00 0.00 C ATOM 483 CG GLN A 29 -19.917 -1.787 15.100 1.00 0.00 C ATOM 484 CD GLN A 29 -20.839 -2.338 16.173 1.00 0.00 C ATOM 485 OE1 GLN A 29 -20.416 -2.582 17.302 1.00 0.00 O ATOM 486 NE2 GLN A 29 -22.106 -2.536 15.826 1.00 0.00 N ATOM 0 H GLN A 29 -18.248 1.624 14.604 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.638 -0.335 13.039 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -18.815 -0.046 15.683 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -20.555 0.134 15.798 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -20.309 -2.054 14.119 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -18.938 -2.258 15.191 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -22.415 -2.320 14.878 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -22.770 -2.904 16.507 1.00 0.00 H new ATOM 495 N ASP A 30 -22.063 0.383 13.007 1.00 0.00 N ATOM 496 CA ASP A 30 -23.393 0.924 12.730 1.00 0.00 C ATOM 497 C ASP A 30 -23.295 2.160 11.833 1.00 0.00 C ATOM 498 O ASP A 30 -23.877 3.207 12.127 1.00 0.00 O ATOM 499 CB ASP A 30 -24.123 1.267 14.037 1.00 0.00 C ATOM 500 CG ASP A 30 -25.630 1.117 13.926 1.00 0.00 C ATOM 501 OD1 ASP A 30 -26.180 1.381 12.835 1.00 0.00 O ATOM 502 OD2 ASP A 30 -26.262 0.732 14.932 1.00 0.00 O ATOM 0 H ASP A 30 -21.933 -0.584 12.709 1.00 0.00 H new ATOM 0 HA ASP A 30 -23.968 0.161 12.206 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -23.756 0.620 14.834 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -23.884 2.291 14.323 1.00 0.00 H new ATOM 507 N SER A 31 -22.542 2.030 10.740 1.00 0.00 N ATOM 508 CA SER A 31 -22.352 3.129 9.798 1.00 0.00 C ATOM 509 C SER A 31 -22.670 2.687 8.372 1.00 0.00 C ATOM 510 O SER A 31 -22.841 1.495 8.104 1.00 0.00 O ATOM 511 CB SER A 31 -20.914 3.645 9.886 1.00 0.00 C ATOM 512 OG SER A 31 -20.877 4.970 10.385 1.00 0.00 O ATOM 0 H SER A 31 -22.053 1.171 10.487 1.00 0.00 H new ATOM 0 HA SER A 31 -23.038 3.934 10.062 1.00 0.00 H new ATOM 0 HB2 SER A 31 -20.329 2.993 10.534 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.451 3.612 8.900 1.00 0.00 H new ATOM 0 HG SER A 31 -20.494 4.969 11.287 1.00 0.00 H new ATOM 518 N LEU A 32 -22.748 3.655 7.456 1.00 0.00 N ATOM 519 CA LEU A 32 -23.047 3.367 6.053 1.00 0.00 C ATOM 520 C LEU A 32 -22.060 2.352 5.475 1.00 0.00 C ATOM 521 O LEU A 32 -22.458 1.428 4.767 1.00 0.00 O ATOM 522 CB LEU A 32 -23.023 4.653 5.221 1.00 0.00 C ATOM 523 CG LEU A 32 -24.240 5.565 5.398 1.00 0.00 C ATOM 524 CD1 LEU A 32 -23.909 6.985 4.965 1.00 0.00 C ATOM 525 CD2 LEU A 32 -25.421 5.025 4.607 1.00 0.00 C ATOM 0 H LEU A 32 -22.608 4.644 7.661 1.00 0.00 H new ATOM 0 HA LEU A 32 -24.047 2.936 6.009 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -22.126 5.217 5.478 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -22.940 4.384 4.168 1.00 0.00 H new ATOM 0 HG LEU A 32 -24.510 5.585 6.454 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -24.785 7.619 5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -23.088 7.368 5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -23.616 6.986 3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -26.280 5.682 4.741 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -25.160 4.980 3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -25.670 4.025 4.962 1.00 0.00 H new ATOM 537 N ALA A 33 -20.775 2.527 5.786 1.00 0.00 N ATOM 538 CA ALA A 33 -19.735 1.619 5.301 1.00 0.00 C ATOM 539 C ALA A 33 -19.971 0.193 5.801 1.00 0.00 C ATOM 540 O ALA A 33 -19.925 -0.761 5.022 1.00 0.00 O ATOM 541 CB ALA A 33 -18.359 2.109 5.730 1.00 0.00 C ATOM 0 H ALA A 33 -20.430 3.288 6.371 1.00 0.00 H new ATOM 0 HA ALA A 33 -19.780 1.607 4.212 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.597 1.422 5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -18.182 3.103 5.318 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -18.311 2.153 6.818 1.00 0.00 H new ATOM 547 N ALA A 34 -20.230 0.058 7.103 1.00 0.00 N ATOM 548 CA ALA A 34 -20.482 -1.250 7.708 1.00 0.00 C ATOM 549 C ALA A 34 -21.766 -1.872 7.161 1.00 0.00 C ATOM 550 O ALA A 34 -21.841 -3.085 6.960 1.00 0.00 O ATOM 551 CB ALA A 34 -20.552 -1.129 9.225 1.00 0.00 C ATOM 0 H ALA A 34 -20.271 0.839 7.758 1.00 0.00 H new ATOM 0 HA ALA A 34 -19.653 -1.908 7.448 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -20.740 -2.111 9.660 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -19.607 -0.740 9.603 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -21.360 -0.450 9.499 1.00 0.00 H new ATOM 557 N ARG A 35 -22.774 -1.032 6.919 1.00 0.00 N ATOM 558 CA ARG A 35 -24.058 -1.494 6.389 1.00 0.00 C ATOM 559 C ARG A 35 -23.935 -1.885 4.914 1.00 0.00 C ATOM 560 O ARG A 35 -24.559 -2.848 4.468 1.00 0.00 O ATOM 561 CB ARG A 35 -25.125 -0.405 6.551 1.00 0.00 C ATOM 562 CG ARG A 35 -26.343 -0.850 7.348 1.00 0.00 C ATOM 563 CD ARG A 35 -27.193 -1.843 6.567 1.00 0.00 C ATOM 564 NE ARG A 35 -28.626 -1.590 6.724 1.00 0.00 N ATOM 565 CZ ARG A 35 -29.579 -2.477 6.426 1.00 0.00 C ATOM 566 NH1 ARG A 35 -29.263 -3.678 5.950 1.00 0.00 N ATOM 567 NH2 ARG A 35 -30.857 -2.159 6.605 1.00 0.00 N ATOM 0 H ARG A 35 -22.726 -0.026 7.082 1.00 0.00 H new ATOM 0 HA ARG A 35 -24.357 -2.375 6.956 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -24.677 0.459 7.042 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -25.449 -0.077 5.563 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -26.019 -1.305 8.284 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -26.946 0.020 7.608 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -26.931 -1.791 5.510 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -26.966 -2.855 6.902 1.00 0.00 H new ATOM 0 HE ARG A 35 -28.915 -0.680 7.083 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -28.285 -3.930 5.809 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -29.999 -4.348 5.726 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -31.108 -1.240 6.969 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -31.587 -2.834 6.378 1.00 0.00 H new ATOM 581 N ASP A 36 -23.133 -1.129 4.164 1.00 0.00 N ATOM 582 CA ASP A 36 -22.934 -1.395 2.739 1.00 0.00 C ATOM 583 C ASP A 36 -22.064 -2.633 2.515 1.00 0.00 C ATOM 584 O ASP A 36 -22.257 -3.364 1.543 1.00 0.00 O ATOM 585 CB ASP A 36 -22.304 -0.182 2.053 1.00 0.00 C ATOM 586 CG ASP A 36 -23.336 0.673 1.345 1.00 0.00 C ATOM 587 OD1 ASP A 36 -23.939 1.546 2.005 1.00 0.00 O ATOM 588 OD2 ASP A 36 -23.542 0.469 0.131 1.00 0.00 O ATOM 0 H ASP A 36 -22.611 -0.328 4.519 1.00 0.00 H new ATOM 0 HA ASP A 36 -23.913 -1.587 2.300 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -21.781 0.422 2.794 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.558 -0.520 1.333 1.00 0.00 H new ATOM 593 N GLY A 37 -21.104 -2.860 3.412 1.00 0.00 N ATOM 594 CA GLY A 37 -20.224 -4.009 3.285 1.00 0.00 C ATOM 595 C GLY A 37 -19.241 -3.871 2.135 1.00 0.00 C ATOM 596 O GLY A 37 -18.984 -4.834 1.411 1.00 0.00 O ATOM 0 H GLY A 37 -20.922 -2.269 4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -19.672 -4.143 4.215 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -20.824 -4.907 3.138 1.00 0.00 H new ATOM 600 N ASN A 38 -18.690 -2.668 1.968 1.00 0.00 N ATOM 601 CA ASN A 38 -17.728 -2.405 0.898 1.00 0.00 C ATOM 602 C ASN A 38 -16.406 -1.889 1.460 1.00 0.00 C ATOM 603 O ASN A 38 -15.337 -2.363 1.077 1.00 0.00 O ATOM 604 CB ASN A 38 -18.303 -1.396 -0.101 1.00 0.00 C ATOM 605 CG ASN A 38 -19.221 -2.047 -1.117 1.00 0.00 C ATOM 606 OD1 ASN A 38 -18.800 -2.383 -2.224 1.00 0.00 O ATOM 607 ND2 ASN A 38 -20.484 -2.227 -0.746 1.00 0.00 N ATOM 0 H ASN A 38 -18.893 -1.862 2.559 1.00 0.00 H new ATOM 0 HA ASN A 38 -17.536 -3.346 0.382 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -18.853 -0.626 0.440 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -17.485 -0.898 -0.621 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -21.148 -2.659 -1.389 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -20.790 -1.933 0.182 1.00 0.00 H new ATOM 614 N ILE A 39 -16.484 -0.915 2.369 1.00 0.00 N ATOM 615 CA ILE A 39 -15.290 -0.341 2.981 1.00 0.00 C ATOM 616 C ILE A 39 -14.721 -1.272 4.050 1.00 0.00 C ATOM 617 O ILE A 39 -15.389 -1.576 5.041 1.00 0.00 O ATOM 618 CB ILE A 39 -15.582 1.038 3.615 1.00 0.00 C ATOM 619 CG1 ILE A 39 -16.295 1.953 2.613 1.00 0.00 C ATOM 620 CG2 ILE A 39 -14.294 1.685 4.106 1.00 0.00 C ATOM 621 CD1 ILE A 39 -15.462 2.287 1.393 1.00 0.00 C ATOM 0 H ILE A 39 -17.361 -0.510 2.695 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.558 -0.213 2.184 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.240 0.888 4.471 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -17.219 1.473 2.291 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -16.575 2.879 3.115 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -14.520 2.655 4.549 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -13.827 1.044 4.854 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.612 1.820 3.267 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -16.032 2.938 0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.549 2.796 1.704 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -15.204 1.368 0.866 1.00 0.00 H new ATOM 633 N GLN A 40 -13.485 -1.720 3.841 1.00 0.00 N ATOM 634 CA GLN A 40 -12.817 -2.615 4.780 1.00 0.00 C ATOM 635 C GLN A 40 -11.571 -1.952 5.362 1.00 0.00 C ATOM 636 O GLN A 40 -10.979 -1.071 4.736 1.00 0.00 O ATOM 637 CB GLN A 40 -12.435 -3.924 4.083 1.00 0.00 C ATOM 638 CG GLN A 40 -12.185 -5.082 5.037 1.00 0.00 C ATOM 639 CD GLN A 40 -13.389 -5.399 5.907 1.00 0.00 C ATOM 640 OE1 GLN A 40 -14.465 -5.718 5.403 1.00 0.00 O ATOM 641 NE2 GLN A 40 -13.213 -5.314 7.222 1.00 0.00 N ATOM 0 H GLN A 40 -12.924 -1.476 3.025 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.507 -2.834 5.595 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.231 -4.201 3.392 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.538 -3.758 3.486 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.914 -5.968 4.463 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.334 -4.844 5.675 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.304 -5.046 7.599 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.987 -5.517 7.854 1.00 0.00 H new ATOM 650 N GLU A 41 -11.175 -2.382 6.561 1.00 0.00 N ATOM 651 CA GLU A 41 -9.995 -1.830 7.224 1.00 0.00 C ATOM 652 C GLU A 41 -8.753 -2.009 6.351 1.00 0.00 C ATOM 653 O GLU A 41 -8.265 -3.126 6.173 1.00 0.00 O ATOM 654 CB GLU A 41 -9.777 -2.503 8.582 1.00 0.00 C ATOM 655 CG GLU A 41 -9.049 -1.625 9.589 1.00 0.00 C ATOM 656 CD GLU A 41 -7.945 -2.366 10.322 1.00 0.00 C ATOM 657 OE1 GLU A 41 -6.819 -2.438 9.784 1.00 0.00 O ATOM 658 OE2 GLU A 41 -8.205 -2.874 11.433 1.00 0.00 O ATOM 0 H GLU A 41 -11.654 -3.110 7.091 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.163 -0.765 7.381 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.744 -2.790 8.995 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.208 -3.421 8.436 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.623 -0.764 9.073 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.766 -1.240 10.314 1.00 0.00 H new ATOM 665 N GLY A 42 -8.253 -0.903 5.805 1.00 0.00 N ATOM 666 CA GLY A 42 -7.079 -0.959 4.951 1.00 0.00 C ATOM 667 C GLY A 42 -7.414 -0.872 3.466 1.00 0.00 C ATOM 668 O GLY A 42 -6.527 -1.011 2.622 1.00 0.00 O ATOM 0 H GLY A 42 -8.640 0.031 5.939 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.407 -0.142 5.214 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.542 -1.888 5.142 1.00 0.00 H new ATOM 672 N ASP A 43 -8.694 -0.641 3.145 1.00 0.00 N ATOM 673 CA ASP A 43 -9.136 -0.536 1.755 1.00 0.00 C ATOM 674 C ASP A 43 -8.414 0.604 1.040 1.00 0.00 C ATOM 675 O ASP A 43 -8.710 1.780 1.268 1.00 0.00 O ATOM 676 CB ASP A 43 -10.656 -0.312 1.690 1.00 0.00 C ATOM 677 CG ASP A 43 -11.411 -1.501 1.117 1.00 0.00 C ATOM 678 OD1 ASP A 43 -10.970 -2.651 1.327 1.00 0.00 O ATOM 679 OD2 ASP A 43 -12.453 -1.279 0.465 1.00 0.00 O ATOM 0 H ASP A 43 -9.439 -0.524 3.832 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.892 -1.472 1.253 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.029 -0.101 2.692 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.862 0.569 1.082 1.00 0.00 H new ATOM 684 N VAL A 44 -7.464 0.250 0.178 1.00 0.00 N ATOM 685 CA VAL A 44 -6.697 1.239 -0.569 1.00 0.00 C ATOM 686 C VAL A 44 -7.542 1.842 -1.692 1.00 0.00 C ATOM 687 O VAL A 44 -7.790 1.193 -2.711 1.00 0.00 O ATOM 688 CB VAL A 44 -5.409 0.628 -1.164 1.00 0.00 C ATOM 689 CG1 VAL A 44 -4.521 1.716 -1.743 1.00 0.00 C ATOM 690 CG2 VAL A 44 -4.655 -0.178 -0.112 1.00 0.00 C ATOM 0 H VAL A 44 -7.208 -0.717 -0.020 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.414 2.024 0.132 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.694 -0.049 -1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.619 1.267 -2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.059 2.243 -2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.248 2.420 -0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.752 -0.599 -0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.383 0.473 0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.290 -0.985 0.252 1.00 0.00 H new ATOM 700 N VAL A 45 -7.988 3.083 -1.493 1.00 0.00 N ATOM 701 CA VAL A 45 -8.814 3.774 -2.478 1.00 0.00 C ATOM 702 C VAL A 45 -7.958 4.486 -3.524 1.00 0.00 C ATOM 703 O VAL A 45 -7.060 5.260 -3.188 1.00 0.00 O ATOM 704 CB VAL A 45 -9.750 4.808 -1.815 1.00 0.00 C ATOM 705 CG1 VAL A 45 -10.725 5.377 -2.836 1.00 0.00 C ATOM 706 CG2 VAL A 45 -10.501 4.191 -0.639 1.00 0.00 C ATOM 0 H VAL A 45 -7.789 3.630 -0.655 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.417 3.007 -2.964 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.137 5.623 -1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.377 6.104 -2.351 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.170 5.865 -3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.328 4.570 -3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.153 4.940 -0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.101 3.352 -0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.786 3.839 0.105 1.00 0.00 H new ATOM 716 N LEU A 46 -8.255 4.222 -4.795 1.00 0.00 N ATOM 717 CA LEU A 46 -7.529 4.834 -5.903 1.00 0.00 C ATOM 718 C LEU A 46 -8.297 6.030 -6.472 1.00 0.00 C ATOM 719 O LEU A 46 -7.697 7.041 -6.841 1.00 0.00 O ATOM 720 CB LEU A 46 -7.285 3.799 -7.006 1.00 0.00 C ATOM 721 CG LEU A 46 -6.203 4.174 -8.025 1.00 0.00 C ATOM 722 CD1 LEU A 46 -5.316 2.977 -8.334 1.00 0.00 C ATOM 723 CD2 LEU A 46 -6.833 4.718 -9.301 1.00 0.00 C ATOM 0 H LEU A 46 -8.998 3.585 -5.083 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.572 5.192 -5.524 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.010 2.853 -6.540 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.221 3.632 -7.539 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.581 4.956 -7.589 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.555 3.266 -9.059 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.833 2.636 -7.418 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.923 2.171 -8.746 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.049 4.978 -10.012 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.482 3.959 -9.739 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.420 5.606 -9.067 1.00 0.00 H new ATOM 735 N LYS A 47 -9.625 5.906 -6.550 1.00 0.00 N ATOM 736 CA LYS A 47 -10.465 6.978 -7.086 1.00 0.00 C ATOM 737 C LYS A 47 -11.692 7.225 -6.205 1.00 0.00 C ATOM 738 O LYS A 47 -12.173 6.318 -5.522 1.00 0.00 O ATOM 739 CB LYS A 47 -10.915 6.627 -8.507 1.00 0.00 C ATOM 740 CG LYS A 47 -10.277 7.491 -9.583 1.00 0.00 C ATOM 741 CD LYS A 47 -10.762 7.098 -10.970 1.00 0.00 C ATOM 742 CE LYS A 47 -10.803 8.294 -11.911 1.00 0.00 C ATOM 743 NZ LYS A 47 -9.813 8.166 -13.018 1.00 0.00 N ATOM 0 H LYS A 47 -10.139 5.077 -6.250 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.870 7.891 -7.102 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.678 5.582 -8.705 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.999 6.726 -8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.512 8.539 -9.397 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.192 7.394 -9.534 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.104 6.333 -11.382 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.757 6.658 -10.897 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.805 8.392 -12.330 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.602 9.206 -11.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.873 9.000 -13.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.854 8.098 -12.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.020 7.310 -13.571 1.00 0.00 H new ATOM 757 N ILE A 48 -12.201 8.461 -6.238 1.00 0.00 N ATOM 758 CA ILE A 48 -13.380 8.837 -5.458 1.00 0.00 C ATOM 759 C ILE A 48 -14.304 9.741 -6.277 1.00 0.00 C ATOM 760 O ILE A 48 -13.931 10.858 -6.643 1.00 0.00 O ATOM 761 CB ILE A 48 -12.994 9.557 -4.144 1.00 0.00 C ATOM 762 CG1 ILE A 48 -11.912 8.768 -3.399 1.00 0.00 C ATOM 763 CG2 ILE A 48 -14.222 9.744 -3.258 1.00 0.00 C ATOM 764 CD1 ILE A 48 -11.396 9.467 -2.159 1.00 0.00 C ATOM 0 H ILE A 48 -11.812 9.219 -6.799 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.902 7.914 -5.205 1.00 0.00 H new ATOM 0 HB ILE A 48 -12.595 10.540 -4.393 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -12.314 7.795 -3.116 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -11.078 8.584 -4.076 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -13.933 10.252 -2.338 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -14.964 10.344 -3.786 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -14.648 8.770 -3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.633 8.850 -1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.964 10.428 -2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -12.219 9.627 -1.462 1.00 0.00 H new ATOM 776 N ASN A 49 -15.508 9.240 -6.566 1.00 0.00 N ATOM 777 CA ASN A 49 -16.504 9.976 -7.351 1.00 0.00 C ATOM 778 C ASN A 49 -15.935 10.405 -8.708 1.00 0.00 C ATOM 779 O ASN A 49 -16.207 11.509 -9.185 1.00 0.00 O ATOM 780 CB ASN A 49 -17.009 11.208 -6.587 1.00 0.00 C ATOM 781 CG ASN A 49 -17.430 10.896 -5.162 1.00 0.00 C ATOM 782 OD1 ASN A 49 -18.249 10.008 -4.925 1.00 0.00 O ATOM 783 ND2 ASN A 49 -16.873 11.629 -4.203 1.00 0.00 N ATOM 0 H ASN A 49 -15.819 8.317 -6.264 1.00 0.00 H new ATOM 0 HA ASN A 49 -17.343 9.301 -7.523 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -16.224 11.964 -6.570 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -17.855 11.639 -7.123 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.120 11.465 -3.227 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.198 12.355 -4.443 1.00 0.00 H new ATOM 790 N GLY A 50 -15.142 9.526 -9.325 1.00 0.00 N ATOM 791 CA GLY A 50 -14.548 9.838 -10.617 1.00 0.00 C ATOM 792 C GLY A 50 -13.365 10.792 -10.511 1.00 0.00 C ATOM 793 O GLY A 50 -13.059 11.512 -11.462 1.00 0.00 O ATOM 0 H GLY A 50 -14.902 8.607 -8.954 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.221 8.914 -11.094 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -15.307 10.279 -11.263 1.00 0.00 H new ATOM 797 N THR A 51 -12.699 10.798 -9.354 1.00 0.00 N ATOM 798 CA THR A 51 -11.548 11.671 -9.131 1.00 0.00 C ATOM 799 C THR A 51 -10.385 10.879 -8.542 1.00 0.00 C ATOM 800 O THR A 51 -10.548 10.176 -7.544 1.00 0.00 O ATOM 801 CB THR A 51 -11.920 12.831 -8.197 1.00 0.00 C ATOM 802 OG1 THR A 51 -13.289 13.174 -8.333 1.00 0.00 O ATOM 803 CG2 THR A 51 -11.112 14.086 -8.443 1.00 0.00 C ATOM 0 H THR A 51 -12.938 10.207 -8.558 1.00 0.00 H new ATOM 0 HA THR A 51 -11.243 12.083 -10.093 1.00 0.00 H new ATOM 0 HB THR A 51 -11.701 12.465 -7.194 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.837 12.541 -7.824 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.428 14.864 -7.748 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.054 13.873 -8.293 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.272 14.427 -9.466 1.00 0.00 H new ATOM 811 N VAL A 52 -9.214 10.993 -9.167 1.00 0.00 N ATOM 812 CA VAL A 52 -8.023 10.283 -8.704 1.00 0.00 C ATOM 813 C VAL A 52 -7.611 10.758 -7.314 1.00 0.00 C ATOM 814 O VAL A 52 -7.694 11.947 -7.008 1.00 0.00 O ATOM 815 CB VAL A 52 -6.829 10.469 -9.668 1.00 0.00 C ATOM 816 CG1 VAL A 52 -5.698 9.513 -9.312 1.00 0.00 C ATOM 817 CG2 VAL A 52 -7.263 10.272 -11.116 1.00 0.00 C ATOM 0 H VAL A 52 -9.065 11.570 -9.995 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.285 9.226 -8.670 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.463 11.490 -9.560 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.867 9.659 -10.002 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.363 9.709 -8.294 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.054 8.485 -9.385 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.405 10.408 -11.775 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.662 9.265 -11.243 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.033 11.001 -11.368 1.00 0.00 H new ATOM 827 N THR A 53 -7.168 9.821 -6.479 1.00 0.00 N ATOM 828 CA THR A 53 -6.742 10.143 -5.120 1.00 0.00 C ATOM 829 C THR A 53 -5.311 9.672 -4.866 1.00 0.00 C ATOM 830 O THR A 53 -4.996 9.170 -3.787 1.00 0.00 O ATOM 831 CB THR A 53 -7.694 9.515 -4.093 1.00 0.00 C ATOM 832 OG1 THR A 53 -8.962 9.244 -4.670 1.00 0.00 O ATOM 833 CG2 THR A 53 -7.921 10.391 -2.878 1.00 0.00 C ATOM 0 H THR A 53 -7.095 8.833 -6.720 1.00 0.00 H new ATOM 0 HA THR A 53 -6.770 11.227 -5.010 1.00 0.00 H new ATOM 0 HB THR A 53 -7.205 8.594 -3.776 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.018 8.294 -4.905 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.603 9.890 -2.191 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.970 10.573 -2.378 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.354 11.341 -3.190 1.00 0.00 H new ATOM 841 N GLU A 54 -4.439 9.846 -5.860 1.00 0.00 N ATOM 842 CA GLU A 54 -3.043 9.449 -5.725 1.00 0.00 C ATOM 843 C GLU A 54 -2.141 10.679 -5.727 1.00 0.00 C ATOM 844 O GLU A 54 -2.383 11.635 -6.466 1.00 0.00 O ATOM 845 CB GLU A 54 -2.637 8.491 -6.846 1.00 0.00 C ATOM 846 CG GLU A 54 -2.040 7.186 -6.341 1.00 0.00 C ATOM 847 CD GLU A 54 -2.695 5.967 -6.956 1.00 0.00 C ATOM 848 OE1 GLU A 54 -3.744 5.532 -6.437 1.00 0.00 O ATOM 849 OE2 GLU A 54 -2.155 5.440 -7.951 1.00 0.00 O ATOM 0 H GLU A 54 -4.676 10.258 -6.763 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.927 8.929 -4.774 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.511 8.269 -7.458 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.913 8.987 -7.493 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.973 7.170 -6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.142 7.140 -5.257 1.00 0.00 H new ATOM 856 N ASN A 55 -1.109 10.650 -4.884 1.00 0.00 N ATOM 857 CA ASN A 55 -0.164 11.762 -4.763 1.00 0.00 C ATOM 858 C ASN A 55 -0.845 13.039 -4.249 1.00 0.00 C ATOM 859 O ASN A 55 -0.261 14.124 -4.309 1.00 0.00 O ATOM 860 CB ASN A 55 0.519 12.041 -6.105 1.00 0.00 C ATOM 861 CG ASN A 55 1.062 10.785 -6.765 1.00 0.00 C ATOM 862 OD1 ASN A 55 1.268 9.762 -6.109 1.00 0.00 O ATOM 863 ND2 ASN A 55 1.299 10.856 -8.069 1.00 0.00 N ATOM 0 H ASN A 55 -0.905 9.862 -4.270 1.00 0.00 H new ATOM 0 HA ASN A 55 0.588 11.464 -4.032 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.194 12.519 -6.777 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.335 12.747 -5.952 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.666 10.044 -8.566 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.114 11.723 -8.574 1.00 0.00 H new ATOM 870 N MET A 56 -2.074 12.909 -3.740 1.00 0.00 N ATOM 871 CA MET A 56 -2.814 14.055 -3.220 1.00 0.00 C ATOM 872 C MET A 56 -2.682 14.148 -1.700 1.00 0.00 C ATOM 873 O MET A 56 -2.278 13.186 -1.041 1.00 0.00 O ATOM 874 CB MET A 56 -4.291 13.953 -3.613 1.00 0.00 C ATOM 875 CG MET A 56 -4.856 15.233 -4.209 1.00 0.00 C ATOM 876 SD MET A 56 -4.685 15.299 -6.003 1.00 0.00 S ATOM 877 CE MET A 56 -5.553 13.808 -6.484 1.00 0.00 C ATOM 0 H MET A 56 -2.574 12.022 -3.679 1.00 0.00 H new ATOM 0 HA MET A 56 -2.390 14.959 -3.656 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.411 13.144 -4.333 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.874 13.685 -2.732 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.910 15.318 -3.945 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.347 16.090 -3.768 1.00 0.00 H new ATOM 0 HE1 MET A 56 -6.198 14.021 -7.337 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.831 13.039 -6.758 1.00 0.00 H new ATOM 0 HE3 MET A 56 -6.160 13.455 -5.650 1.00 0.00 H new ATOM 887 N SER A 57 -3.027 15.309 -1.147 1.00 0.00 N ATOM 888 CA SER A 57 -2.950 15.527 0.295 1.00 0.00 C ATOM 889 C SER A 57 -4.066 14.779 1.018 1.00 0.00 C ATOM 890 O SER A 57 -5.194 14.702 0.528 1.00 0.00 O ATOM 891 CB SER A 57 -3.020 17.023 0.614 1.00 0.00 C ATOM 892 OG SER A 57 -1.733 17.611 0.557 1.00 0.00 O ATOM 0 H SER A 57 -3.363 16.114 -1.677 1.00 0.00 H new ATOM 0 HA SER A 57 -1.994 15.138 0.646 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.683 17.520 -0.094 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.447 17.168 1.606 1.00 0.00 H new ATOM 0 HG SER A 57 -1.801 18.567 0.762 1.00 0.00 H new ATOM 898 N LEU A 58 -3.741 14.233 2.190 1.00 0.00 N ATOM 899 CA LEU A 58 -4.710 13.489 2.996 1.00 0.00 C ATOM 900 C LEU A 58 -5.962 14.324 3.263 1.00 0.00 C ATOM 901 O LEU A 58 -7.070 13.790 3.342 1.00 0.00 O ATOM 902 CB LEU A 58 -4.077 13.068 4.324 1.00 0.00 C ATOM 903 CG LEU A 58 -4.990 12.273 5.261 1.00 0.00 C ATOM 904 CD1 LEU A 58 -5.014 10.805 4.866 1.00 0.00 C ATOM 905 CD2 LEU A 58 -4.539 12.433 6.708 1.00 0.00 C ATOM 0 H LEU A 58 -2.811 14.292 2.604 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.002 12.601 2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.192 12.469 4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.739 13.963 4.846 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.002 12.667 5.171 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.668 10.257 5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.385 10.709 3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.005 10.396 4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.199 11.861 7.360 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.518 12.066 6.814 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.577 13.486 6.987 1.00 0.00 H new ATOM 917 N THR A 59 -5.777 15.639 3.402 1.00 0.00 N ATOM 918 CA THR A 59 -6.889 16.548 3.657 1.00 0.00 C ATOM 919 C THR A 59 -7.833 16.603 2.458 1.00 0.00 C ATOM 920 O THR A 59 -9.048 16.681 2.626 1.00 0.00 O ATOM 921 CB THR A 59 -6.378 17.955 3.979 1.00 0.00 C ATOM 922 OG1 THR A 59 -5.011 17.931 4.358 1.00 0.00 O ATOM 923 CG2 THR A 59 -7.153 18.633 5.091 1.00 0.00 C ATOM 0 H THR A 59 -4.866 16.095 3.342 1.00 0.00 H new ATOM 0 HA THR A 59 -7.438 16.167 4.518 1.00 0.00 H new ATOM 0 HB THR A 59 -6.516 18.523 3.059 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.710 18.842 4.556 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.740 19.626 5.269 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.200 18.722 4.803 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.077 18.039 6.002 1.00 0.00 H new ATOM 931 N ASP A 60 -7.272 16.548 1.247 1.00 0.00 N ATOM 932 CA ASP A 60 -8.082 16.577 0.031 1.00 0.00 C ATOM 933 C ASP A 60 -9.125 15.463 0.070 1.00 0.00 C ATOM 934 O ASP A 60 -10.286 15.672 -0.287 1.00 0.00 O ATOM 935 CB ASP A 60 -7.203 16.423 -1.211 1.00 0.00 C ATOM 936 CG ASP A 60 -7.893 16.916 -2.468 1.00 0.00 C ATOM 937 OD1 ASP A 60 -8.742 16.176 -3.008 1.00 0.00 O ATOM 938 OD2 ASP A 60 -7.586 18.042 -2.910 1.00 0.00 O ATOM 0 H ASP A 60 -6.267 16.484 1.085 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.588 17.541 -0.021 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.275 16.976 -1.068 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.933 15.374 -1.335 1.00 0.00 H new ATOM 943 N ALA A 61 -8.703 14.282 0.527 1.00 0.00 N ATOM 944 CA ALA A 61 -9.600 13.136 0.639 1.00 0.00 C ATOM 945 C ALA A 61 -10.717 13.431 1.637 1.00 0.00 C ATOM 946 O ALA A 61 -11.869 13.048 1.424 1.00 0.00 O ATOM 947 CB ALA A 61 -8.830 11.891 1.057 1.00 0.00 C ATOM 0 H ALA A 61 -7.745 14.097 0.825 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.046 12.952 -0.338 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.516 11.048 1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.065 11.669 0.312 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.356 12.064 2.023 1.00 0.00 H new ATOM 953 N LYS A 62 -10.364 14.128 2.721 1.00 0.00 N ATOM 954 CA LYS A 62 -11.331 14.497 3.751 1.00 0.00 C ATOM 955 C LYS A 62 -12.395 15.437 3.176 1.00 0.00 C ATOM 956 O LYS A 62 -13.557 15.398 3.586 1.00 0.00 O ATOM 957 CB LYS A 62 -10.613 15.145 4.953 1.00 0.00 C ATOM 958 CG LYS A 62 -10.601 16.674 4.954 1.00 0.00 C ATOM 959 CD LYS A 62 -11.649 17.245 5.900 1.00 0.00 C ATOM 960 CE LYS A 62 -11.078 18.362 6.763 1.00 0.00 C ATOM 961 NZ LYS A 62 -10.950 19.642 6.010 1.00 0.00 N ATOM 0 H LYS A 62 -9.413 14.447 2.905 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.832 13.594 4.100 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.090 14.800 5.870 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.583 14.789 4.976 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.613 17.030 5.247 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.785 17.040 3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.492 17.625 5.323 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.033 16.451 6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.721 18.515 7.630 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -10.100 18.064 7.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.558 20.375 6.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.316 19.505 5.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.887 19.941 5.672 1.00 0.00 H new ATOM 975 N THR A 63 -11.986 16.271 2.220 1.00 0.00 N ATOM 976 CA THR A 63 -12.892 17.218 1.579 1.00 0.00 C ATOM 977 C THR A 63 -13.884 16.495 0.668 1.00 0.00 C ATOM 978 O THR A 63 -15.062 16.847 0.625 1.00 0.00 O ATOM 979 CB THR A 63 -12.104 18.248 0.765 1.00 0.00 C ATOM 980 OG1 THR A 63 -10.737 18.271 1.144 1.00 0.00 O ATOM 981 CG2 THR A 63 -12.638 19.656 0.899 1.00 0.00 C ATOM 0 H THR A 63 -11.028 16.308 1.873 1.00 0.00 H new ATOM 0 HA THR A 63 -13.447 17.731 2.364 1.00 0.00 H new ATOM 0 HB THR A 63 -12.216 17.927 -0.271 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.260 18.937 0.606 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.033 20.333 0.296 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.671 19.688 0.553 1.00 0.00 H new ATOM 0 HG23 THR A 63 -12.595 19.963 1.944 1.00 0.00 H new ATOM 989 N LEU A 64 -13.399 15.481 -0.055 1.00 0.00 N ATOM 990 CA LEU A 64 -14.245 14.707 -0.960 1.00 0.00 C ATOM 991 C LEU A 64 -15.466 14.155 -0.227 1.00 0.00 C ATOM 992 O LEU A 64 -16.567 14.118 -0.776 1.00 0.00 O ATOM 993 CB LEU A 64 -13.447 13.558 -1.582 1.00 0.00 C ATOM 994 CG LEU A 64 -12.708 13.905 -2.877 1.00 0.00 C ATOM 995 CD1 LEU A 64 -11.710 12.813 -3.226 1.00 0.00 C ATOM 996 CD2 LEU A 64 -13.697 14.118 -4.015 1.00 0.00 C ATOM 0 H LEU A 64 -12.425 15.179 -0.029 1.00 0.00 H new ATOM 0 HA LEU A 64 -14.589 15.372 -1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.720 13.204 -0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.127 12.730 -1.781 1.00 0.00 H new ATOM 0 HG LEU A 64 -12.159 14.834 -2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.193 13.074 -4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.984 12.712 -2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.237 11.868 -3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -13.154 14.364 -4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -14.274 13.207 -4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -14.371 14.936 -3.763 1.00 0.00 H new ATOM 1008 N ILE A 65 -15.263 13.737 1.023 1.00 0.00 N ATOM 1009 CA ILE A 65 -16.348 13.198 1.836 1.00 0.00 C ATOM 1010 C ILE A 65 -17.330 14.298 2.241 1.00 0.00 C ATOM 1011 O ILE A 65 -18.529 14.046 2.387 1.00 0.00 O ATOM 1012 CB ILE A 65 -15.817 12.499 3.107 1.00 0.00 C ATOM 1013 CG1 ILE A 65 -14.698 11.514 2.750 1.00 0.00 C ATOM 1014 CG2 ILE A 65 -16.953 11.783 3.826 1.00 0.00 C ATOM 1015 CD1 ILE A 65 -14.086 10.823 3.950 1.00 0.00 C ATOM 0 H ILE A 65 -14.358 13.762 1.492 1.00 0.00 H new ATOM 0 HA ILE A 65 -16.864 12.461 1.221 1.00 0.00 H new ATOM 0 HB ILE A 65 -15.405 13.255 3.776 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.094 10.759 2.071 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -13.915 12.048 2.211 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -16.567 11.294 4.720 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -17.717 12.506 4.110 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -17.389 11.035 3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -13.302 10.142 3.617 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -13.658 11.569 4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -14.856 10.260 4.477 1.00 0.00 H new ATOM 1027 N GLU A 66 -16.819 15.519 2.417 1.00 0.00 N ATOM 1028 CA GLU A 66 -17.661 16.651 2.801 1.00 0.00 C ATOM 1029 C GLU A 66 -18.469 17.160 1.611 1.00 0.00 C ATOM 1030 O GLU A 66 -19.687 17.322 1.701 1.00 0.00 O ATOM 1031 CB GLU A 66 -16.809 17.790 3.372 1.00 0.00 C ATOM 1032 CG GLU A 66 -16.029 17.413 4.623 1.00 0.00 C ATOM 1033 CD GLU A 66 -15.283 18.588 5.231 1.00 0.00 C ATOM 1034 OE1 GLU A 66 -14.659 19.357 4.469 1.00 0.00 O ATOM 1035 OE2 GLU A 66 -15.322 18.738 6.470 1.00 0.00 O ATOM 0 H GLU A 66 -15.832 15.747 2.300 1.00 0.00 H new ATOM 0 HA GLU A 66 -18.352 16.304 3.570 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.109 18.125 2.607 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.458 18.635 3.602 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.716 17.003 5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.317 16.625 4.377 1.00 0.00 H new ATOM 1042 N ARG A 67 -17.786 17.409 0.494 1.00 0.00 N ATOM 1043 CA ARG A 67 -18.442 17.902 -0.718 1.00 0.00 C ATOM 1044 C ARG A 67 -19.385 16.859 -1.327 1.00 0.00 C ATOM 1045 O ARG A 67 -20.247 17.203 -2.138 1.00 0.00 O ATOM 1046 CB ARG A 67 -17.403 18.334 -1.757 1.00 0.00 C ATOM 1047 CG ARG A 67 -16.536 17.195 -2.280 1.00 0.00 C ATOM 1048 CD ARG A 67 -15.576 17.667 -3.366 1.00 0.00 C ATOM 1049 NE ARG A 67 -14.934 18.939 -3.022 1.00 0.00 N ATOM 1050 CZ ARG A 67 -15.395 20.138 -3.394 1.00 0.00 C ATOM 1051 NH1 ARG A 67 -16.508 20.244 -4.116 1.00 0.00 N ATOM 1052 NH2 ARG A 67 -14.742 21.239 -3.035 1.00 0.00 N ATOM 0 H ARG A 67 -16.779 17.278 0.403 1.00 0.00 H new ATOM 0 HA ARG A 67 -19.042 18.765 -0.427 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -17.917 18.800 -2.597 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -16.758 19.094 -1.316 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -15.968 16.762 -1.456 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -17.174 16.405 -2.677 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -14.811 16.908 -3.527 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -16.118 17.778 -4.305 1.00 0.00 H new ATOM 0 HE ARG A 67 -14.081 18.908 -2.463 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -17.019 19.405 -4.391 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -16.850 21.164 -4.394 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -13.891 21.168 -2.477 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -15.092 22.154 -3.318 1.00 0.00 H new ATOM 1066 N SER A 68 -19.215 15.587 -0.947 1.00 0.00 N ATOM 1067 CA SER A 68 -20.054 14.509 -1.470 1.00 0.00 C ATOM 1068 C SER A 68 -21.537 14.827 -1.296 1.00 0.00 C ATOM 1069 O SER A 68 -22.039 14.899 -0.170 1.00 0.00 O ATOM 1070 CB SER A 68 -19.726 13.185 -0.778 1.00 0.00 C ATOM 1071 OG SER A 68 -20.418 12.107 -1.389 1.00 0.00 O ATOM 0 H SER A 68 -18.505 15.282 -0.281 1.00 0.00 H new ATOM 0 HA SER A 68 -19.843 14.417 -2.535 1.00 0.00 H new ATOM 0 HB2 SER A 68 -18.652 13.004 -0.822 1.00 0.00 H new ATOM 0 HB3 SER A 68 -19.997 13.245 0.276 1.00 0.00 H new ATOM 0 HG SER A 68 -20.781 11.517 -0.696 1.00 0.00 H new ATOM 1077 N LYS A 69 -22.230 15.013 -2.417 1.00 0.00 N ATOM 1078 CA LYS A 69 -23.657 15.320 -2.396 1.00 0.00 C ATOM 1079 C LYS A 69 -24.484 14.034 -2.400 1.00 0.00 C ATOM 1080 O LYS A 69 -24.944 13.581 -3.450 1.00 0.00 O ATOM 1081 CB LYS A 69 -24.033 16.195 -3.597 1.00 0.00 C ATOM 1082 CG LYS A 69 -23.194 17.459 -3.718 1.00 0.00 C ATOM 1083 CD LYS A 69 -22.621 17.618 -5.118 1.00 0.00 C ATOM 1084 CE LYS A 69 -21.350 18.455 -5.112 1.00 0.00 C ATOM 1085 NZ LYS A 69 -21.643 19.913 -5.030 1.00 0.00 N ATOM 0 H LYS A 69 -21.826 14.956 -3.352 1.00 0.00 H new ATOM 0 HA LYS A 69 -23.876 15.870 -1.480 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -23.926 15.609 -4.510 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -25.084 16.473 -3.518 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -23.806 18.327 -3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -22.381 17.428 -2.993 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -22.408 16.635 -5.538 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -23.363 18.087 -5.764 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -20.727 18.162 -4.267 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -20.777 18.251 -6.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -20.751 20.447 -5.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -22.216 20.199 -5.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -22.167 20.113 -4.154 1.00 0.00 H new ATOM 1099 N GLY A 70 -24.667 13.450 -1.215 1.00 0.00 N ATOM 1100 CA GLY A 70 -25.434 12.221 -1.099 1.00 0.00 C ATOM 1101 C GLY A 70 -24.570 10.977 -1.200 1.00 0.00 C ATOM 1102 O GLY A 70 -23.655 10.785 -0.401 1.00 0.00 O ATOM 0 H GLY A 70 -24.297 13.807 -0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -25.961 12.216 -0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -26.192 12.196 -1.882 1.00 0.00 H new ATOM 1106 N LYS A 71 -24.867 10.129 -2.184 1.00 0.00 N ATOM 1107 CA LYS A 71 -24.118 8.888 -2.388 1.00 0.00 C ATOM 1108 C LYS A 71 -22.646 9.166 -2.715 1.00 0.00 C ATOM 1109 O LYS A 71 -22.324 10.154 -3.377 1.00 0.00 O ATOM 1110 CB LYS A 71 -24.759 8.053 -3.505 1.00 0.00 C ATOM 1111 CG LYS A 71 -24.891 8.789 -4.833 1.00 0.00 C ATOM 1112 CD LYS A 71 -26.326 9.224 -5.096 1.00 0.00 C ATOM 1113 CE LYS A 71 -27.108 8.157 -5.850 1.00 0.00 C ATOM 1114 NZ LYS A 71 -28.581 8.390 -5.786 1.00 0.00 N ATOM 0 H LYS A 71 -25.622 10.278 -2.854 1.00 0.00 H new ATOM 0 HA LYS A 71 -24.154 8.324 -1.456 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -24.164 7.153 -3.658 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -25.748 7.730 -3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -24.240 9.664 -4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -24.553 8.142 -5.643 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -26.821 9.437 -4.149 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -26.326 10.150 -5.671 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -26.789 8.143 -6.892 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -26.878 7.177 -5.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -29.074 7.641 -6.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -28.892 8.378 -4.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -28.805 9.314 -6.208 1.00 0.00 H new ATOM 1128 N LEU A 72 -21.759 8.284 -2.244 1.00 0.00 N ATOM 1129 CA LEU A 72 -20.323 8.429 -2.484 1.00 0.00 C ATOM 1130 C LEU A 72 -19.755 7.203 -3.196 1.00 0.00 C ATOM 1131 O LEU A 72 -20.011 6.066 -2.795 1.00 0.00 O ATOM 1132 CB LEU A 72 -19.578 8.645 -1.161 1.00 0.00 C ATOM 1133 CG LEU A 72 -18.477 9.713 -1.194 1.00 0.00 C ATOM 1134 CD1 LEU A 72 -18.235 10.278 0.198 1.00 0.00 C ATOM 1135 CD2 LEU A 72 -17.187 9.142 -1.761 1.00 0.00 C ATOM 0 H LEU A 72 -22.012 7.463 -1.695 1.00 0.00 H new ATOM 0 HA LEU A 72 -20.181 9.299 -3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -20.304 8.919 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -19.133 7.698 -0.855 1.00 0.00 H new ATOM 0 HG LEU A 72 -18.812 10.521 -1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -17.451 11.034 0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -19.154 10.730 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -17.927 9.475 0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -16.421 9.917 -1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -16.852 8.312 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -17.362 8.787 -2.777 1.00 0.00 H new ATOM 1147 N LYS A 73 -18.976 7.445 -4.248 1.00 0.00 N ATOM 1148 CA LYS A 73 -18.358 6.368 -5.018 1.00 0.00 C ATOM 1149 C LYS A 73 -16.849 6.335 -4.779 1.00 0.00 C ATOM 1150 O LYS A 73 -16.177 7.363 -4.867 1.00 0.00 O ATOM 1151 CB LYS A 73 -18.648 6.545 -6.511 1.00 0.00 C ATOM 1152 CG LYS A 73 -19.600 5.501 -7.073 1.00 0.00 C ATOM 1153 CD LYS A 73 -20.560 6.106 -8.087 1.00 0.00 C ATOM 1154 CE LYS A 73 -21.808 6.659 -7.414 1.00 0.00 C ATOM 1155 NZ LYS A 73 -23.037 5.935 -7.839 1.00 0.00 N ATOM 0 H LYS A 73 -18.757 8.382 -4.588 1.00 0.00 H new ATOM 0 HA LYS A 73 -18.785 5.422 -4.686 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -19.070 7.536 -6.676 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -17.709 6.503 -7.063 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -19.028 4.702 -7.545 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -20.167 5.049 -6.259 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -20.057 6.903 -8.635 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -20.845 5.348 -8.817 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -21.699 6.585 -6.332 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -21.910 7.718 -7.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -23.864 6.343 -7.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -23.155 6.026 -8.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -22.952 4.929 -7.588 1.00 0.00 H new ATOM 1169 N MET A 74 -16.321 5.149 -4.476 1.00 0.00 N ATOM 1170 CA MET A 74 -14.889 4.984 -4.225 1.00 0.00 C ATOM 1171 C MET A 74 -14.374 3.693 -4.856 1.00 0.00 C ATOM 1172 O MET A 74 -14.948 2.624 -4.657 1.00 0.00 O ATOM 1173 CB MET A 74 -14.602 4.977 -2.720 1.00 0.00 C ATOM 1174 CG MET A 74 -14.895 6.300 -2.028 1.00 0.00 C ATOM 1175 SD MET A 74 -15.674 6.082 -0.415 1.00 0.00 S ATOM 1176 CE MET A 74 -14.440 5.101 0.435 1.00 0.00 C ATOM 0 H MET A 74 -16.863 4.289 -4.398 1.00 0.00 H new ATOM 0 HA MET A 74 -14.370 5.828 -4.680 1.00 0.00 H new ATOM 0 HB2 MET A 74 -15.197 4.194 -2.251 1.00 0.00 H new ATOM 0 HB3 MET A 74 -13.555 4.720 -2.561 1.00 0.00 H new ATOM 0 HG2 MET A 74 -13.965 6.856 -1.906 1.00 0.00 H new ATOM 0 HG3 MET A 74 -15.545 6.902 -2.663 1.00 0.00 H new ATOM 0 HE1 MET A 74 -14.764 4.916 1.459 1.00 0.00 H new ATOM 0 HE2 MET A 74 -14.311 4.150 -0.082 1.00 0.00 H new ATOM 0 HE3 MET A 74 -13.492 5.639 0.446 1.00 0.00 H new ATOM 1186 N VAL A 75 -13.287 3.801 -5.616 1.00 0.00 N ATOM 1187 CA VAL A 75 -12.696 2.641 -6.275 1.00 0.00 C ATOM 1188 C VAL A 75 -11.502 2.113 -5.484 1.00 0.00 C ATOM 1189 O VAL A 75 -10.459 2.765 -5.406 1.00 0.00 O ATOM 1190 CB VAL A 75 -12.244 2.973 -7.713 1.00 0.00 C ATOM 1191 CG1 VAL A 75 -11.816 1.708 -8.447 1.00 0.00 C ATOM 1192 CG2 VAL A 75 -13.353 3.689 -8.472 1.00 0.00 C ATOM 0 H VAL A 75 -12.799 4.679 -5.790 1.00 0.00 H new ATOM 0 HA VAL A 75 -13.469 1.874 -6.319 1.00 0.00 H new ATOM 0 HB VAL A 75 -11.384 3.641 -7.657 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -11.501 1.963 -9.459 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -10.986 1.242 -7.915 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -12.654 1.013 -8.493 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -13.015 3.914 -9.483 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -14.234 3.049 -8.518 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -13.605 4.617 -7.958 1.00 0.00 H new ATOM 1202 N VAL A 76 -11.664 0.927 -4.902 1.00 0.00 N ATOM 1203 CA VAL A 76 -10.605 0.298 -4.113 1.00 0.00 C ATOM 1204 C VAL A 76 -10.099 -0.978 -4.785 1.00 0.00 C ATOM 1205 O VAL A 76 -10.673 -1.440 -5.774 1.00 0.00 O ATOM 1206 CB VAL A 76 -11.090 -0.050 -2.691 1.00 0.00 C ATOM 1207 CG1 VAL A 76 -11.415 1.211 -1.906 1.00 0.00 C ATOM 1208 CG2 VAL A 76 -12.296 -0.981 -2.747 1.00 0.00 C ATOM 0 H VAL A 76 -12.522 0.379 -4.962 1.00 0.00 H new ATOM 0 HA VAL A 76 -9.793 1.022 -4.048 1.00 0.00 H new ATOM 0 HB VAL A 76 -10.283 -0.569 -2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -11.755 0.940 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -10.523 1.832 -1.830 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -12.201 1.766 -2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -12.623 -1.214 -1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -13.108 -0.493 -3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -12.021 -1.902 -3.261 1.00 0.00 H new ATOM 1218 N GLN A 77 -9.030 -1.550 -4.233 1.00 0.00 N ATOM 1219 CA GLN A 77 -8.457 -2.782 -4.772 1.00 0.00 C ATOM 1220 C GLN A 77 -8.724 -3.959 -3.835 1.00 0.00 C ATOM 1221 O GLN A 77 -8.070 -4.101 -2.801 1.00 0.00 O ATOM 1222 CB GLN A 77 -6.949 -2.621 -4.988 1.00 0.00 C ATOM 1223 CG GLN A 77 -6.587 -1.563 -6.020 1.00 0.00 C ATOM 1224 CD GLN A 77 -6.045 -0.296 -5.387 1.00 0.00 C ATOM 1225 OE1 GLN A 77 -6.694 0.750 -5.413 1.00 0.00 O ATOM 1226 NE2 GLN A 77 -4.850 -0.383 -4.814 1.00 0.00 N ATOM 0 H GLN A 77 -8.545 -1.181 -3.415 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.933 -2.985 -5.731 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -6.481 -2.364 -4.038 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.532 -3.578 -5.301 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -5.844 -1.969 -6.707 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -7.469 -1.321 -6.612 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.347 -1.270 -4.816 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.435 0.438 -4.372 1.00 0.00 H new ATOM 1321 N THR B 1 -14.665 -4.443 -7.320 1.00 0.00 N ATOM 1322 CA THR B 1 -13.639 -3.491 -6.804 1.00 0.00 C ATOM 1323 C THR B 1 -14.167 -2.049 -6.775 1.00 0.00 C ATOM 1324 O THR B 1 -13.399 -1.097 -6.931 1.00 0.00 O ATOM 1325 CB THR B 1 -12.390 -3.586 -7.693 1.00 0.00 C ATOM 1326 OG1 THR B 1 -12.738 -3.524 -9.070 1.00 0.00 O ATOM 1327 CG2 THR B 1 -11.589 -4.854 -7.468 1.00 0.00 C ATOM 0 H1 THR B 1 -14.247 -5.391 -7.405 1.00 0.00 H new ATOM 0 H2 THR B 1 -15.469 -4.477 -6.662 1.00 0.00 H new ATOM 0 H3 THR B 1 -14.995 -4.125 -8.254 1.00 0.00 H new ATOM 0 HA THR B 1 -13.391 -3.762 -5.778 1.00 0.00 H new ATOM 0 HB THR B 1 -11.772 -2.734 -7.411 1.00 0.00 H new ATOM 0 HG1 THR B 1 -11.926 -3.585 -9.616 1.00 0.00 H new ATOM 0 HG21 THR B 1 -10.721 -4.858 -8.127 1.00 0.00 H new ATOM 0 HG22 THR B 1 -11.257 -4.896 -6.431 1.00 0.00 H new ATOM 0 HG23 THR B 1 -12.213 -5.721 -7.684 1.00 0.00 H new ATOM 1337 N LYS B 2 -15.477 -1.893 -6.570 1.00 0.00 N ATOM 1338 CA LYS B 2 -16.094 -0.567 -6.518 1.00 0.00 C ATOM 1339 C LYS B 2 -16.941 -0.406 -5.258 1.00 0.00 C ATOM 1340 O LYS B 2 -17.677 -1.317 -4.874 1.00 0.00 O ATOM 1341 CB LYS B 2 -16.957 -0.326 -7.761 1.00 0.00 C ATOM 1342 CG LYS B 2 -17.239 1.146 -8.025 1.00 0.00 C ATOM 1343 CD LYS B 2 -17.944 1.354 -9.357 1.00 0.00 C ATOM 1344 CE LYS B 2 -16.967 1.771 -10.448 1.00 0.00 C ATOM 1345 NZ LYS B 2 -16.535 0.618 -11.289 1.00 0.00 N ATOM 0 H LYS B 2 -16.129 -2.666 -6.438 1.00 0.00 H new ATOM 0 HA LYS B 2 -15.294 0.172 -6.493 1.00 0.00 H new ATOM 0 HB2 LYS B 2 -16.457 -0.754 -8.630 1.00 0.00 H new ATOM 0 HB3 LYS B 2 -17.903 -0.855 -7.645 1.00 0.00 H new ATOM 0 HG2 LYS B 2 -17.855 1.548 -7.221 1.00 0.00 H new ATOM 0 HG3 LYS B 2 -16.302 1.703 -8.018 1.00 0.00 H new ATOM 0 HD2 LYS B 2 -18.447 0.433 -9.651 1.00 0.00 H new ATOM 0 HD3 LYS B 2 -18.715 2.117 -9.246 1.00 0.00 H new ATOM 0 HE2 LYS B 2 -17.433 2.526 -11.081 1.00 0.00 H new ATOM 0 HE3 LYS B 2 -16.092 2.234 -9.992 1.00 0.00 H new ATOM 0 HZ1 LYS B 2 -15.871 0.949 -12.018 1.00 0.00 H new ATOM 0 HZ2 LYS B 2 -16.066 -0.092 -10.691 1.00 0.00 H new ATOM 0 HZ3 LYS B 2 -17.366 0.191 -11.746 1.00 0.00 H new ATOM 1359 N VAL B 3 -16.828 0.759 -4.622 1.00 0.00 N ATOM 1360 CA VAL B 3 -17.574 1.053 -3.402 1.00 0.00 C ATOM 1361 C VAL B 3 -18.568 2.193 -3.625 1.00 0.00 C ATOM 1362 O VAL B 3 -18.180 3.291 -4.028 1.00 0.00 O ATOM 1363 CB VAL B 3 -16.626 1.430 -2.243 1.00 0.00 C ATOM 1364 CG1 VAL B 3 -17.400 1.592 -0.943 1.00 0.00 C ATOM 1365 CG2 VAL B 3 -15.521 0.394 -2.087 1.00 0.00 C ATOM 0 H VAL B 3 -16.223 1.518 -4.935 1.00 0.00 H new ATOM 0 HA VAL B 3 -18.119 0.147 -3.137 1.00 0.00 H new ATOM 0 HB VAL B 3 -16.162 2.386 -2.484 1.00 0.00 H new ATOM 0 HG11 VAL B 3 -16.712 1.858 -0.140 1.00 0.00 H new ATOM 0 HG12 VAL B 3 -18.144 2.380 -1.058 1.00 0.00 H new ATOM 0 HG13 VAL B 3 -17.899 0.655 -0.698 1.00 0.00 H new ATOM 0 HG21 VAL B 3 -14.866 0.682 -1.264 1.00 0.00 H new ATOM 0 HG22 VAL B 3 -15.963 -0.580 -1.876 1.00 0.00 H new ATOM 0 HG23 VAL B 3 -14.942 0.338 -3.009 1.00 0.00 H new ATOM 1375 N THR B 4 -19.849 1.931 -3.355 1.00 0.00 N ATOM 1376 CA THR B 4 -20.888 2.944 -3.525 1.00 0.00 C ATOM 1377 C THR B 4 -21.741 3.078 -2.261 1.00 0.00 C ATOM 1378 O THR B 4 -22.564 2.214 -1.961 1.00 0.00 O ATOM 1379 CB THR B 4 -21.777 2.609 -4.727 1.00 0.00 C ATOM 1380 OG1 THR B 4 -20.993 2.221 -5.843 1.00 0.00 O ATOM 1381 CG2 THR B 4 -22.649 3.768 -5.161 1.00 0.00 C ATOM 0 H THR B 4 -20.189 1.030 -3.019 1.00 0.00 H new ATOM 0 HA THR B 4 -20.394 3.899 -3.707 1.00 0.00 H new ATOM 0 HB THR B 4 -22.418 1.792 -4.395 1.00 0.00 H new ATOM 0 HG1 THR B 4 -21.581 2.010 -6.598 1.00 0.00 H new ATOM 0 HG21 THR B 4 -23.255 3.467 -6.016 1.00 0.00 H new ATOM 0 HG22 THR B 4 -23.302 4.060 -4.339 1.00 0.00 H new ATOM 0 HG23 THR B 4 -22.019 4.612 -5.441 1.00 0.00 H new ATOM 1389 N LEU B 5 -21.536 4.175 -1.531 1.00 0.00 N ATOM 1390 CA LEU B 5 -22.281 4.441 -0.299 1.00 0.00 C ATOM 1391 C LEU B 5 -23.443 5.399 -0.564 1.00 0.00 C ATOM 1392 O LEU B 5 -23.446 6.116 -1.565 1.00 0.00 O ATOM 1393 CB LEU B 5 -21.356 5.046 0.763 1.00 0.00 C ATOM 1394 CG LEU B 5 -20.371 4.072 1.421 1.00 0.00 C ATOM 1395 CD1 LEU B 5 -21.112 2.926 2.097 1.00 0.00 C ATOM 1396 CD2 LEU B 5 -19.376 3.541 0.400 1.00 0.00 C ATOM 0 H LEU B 5 -20.857 4.897 -1.773 1.00 0.00 H new ATOM 0 HA LEU B 5 -22.679 3.493 0.064 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -20.787 5.855 0.304 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -21.972 5.493 1.543 1.00 0.00 H new ATOM 0 HG LEU B 5 -19.817 4.616 2.186 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -20.393 2.248 2.557 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -21.776 3.324 2.864 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -21.698 2.384 1.355 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -18.687 2.852 0.888 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -19.912 3.018 -0.392 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -18.816 4.372 -0.028 1.00 0.00 H new ATOM 1408 N VAL B 6 -24.422 5.413 0.342 1.00 0.00 N ATOM 1409 CA VAL B 6 -25.581 6.295 0.201 1.00 0.00 C ATOM 1410 C VAL B 6 -25.774 7.157 1.449 1.00 0.00 C ATOM 1411 O VAL B 6 -26.330 6.703 2.450 1.00 0.00 O ATOM 1412 CB VAL B 6 -26.878 5.503 -0.074 1.00 0.00 C ATOM 1413 CG1 VAL B 6 -28.009 6.454 -0.440 1.00 0.00 C ATOM 1414 CG2 VAL B 6 -26.662 4.473 -1.175 1.00 0.00 C ATOM 0 H VAL B 6 -24.436 4.827 1.177 1.00 0.00 H new ATOM 0 HA VAL B 6 -25.378 6.938 -0.655 1.00 0.00 H new ATOM 0 HB VAL B 6 -27.154 4.969 0.835 1.00 0.00 H new ATOM 0 HG11 VAL B 6 -28.917 5.883 -0.631 1.00 0.00 H new ATOM 0 HG12 VAL B 6 -28.183 7.147 0.383 1.00 0.00 H new ATOM 0 HG13 VAL B 6 -27.738 7.015 -1.335 1.00 0.00 H new ATOM 0 HG21 VAL B 6 -27.590 3.928 -1.350 1.00 0.00 H new ATOM 0 HG22 VAL B 6 -26.359 4.979 -2.092 1.00 0.00 H new ATOM 0 HG23 VAL B 6 -25.882 3.774 -0.872 1.00 0.00 H new ATOM 1424 N LYS B 7 -25.314 8.407 1.380 1.00 0.00 N ATOM 1425 CA LYS B 7 -25.435 9.339 2.502 1.00 0.00 C ATOM 1426 C LYS B 7 -26.790 10.046 2.478 1.00 0.00 C ATOM 1427 O LYS B 7 -26.991 11.001 1.725 1.00 0.00 O ATOM 1428 CB LYS B 7 -24.305 10.371 2.462 1.00 0.00 C ATOM 1429 CG LYS B 7 -24.251 11.281 3.681 1.00 0.00 C ATOM 1430 CD LYS B 7 -23.791 12.685 3.312 1.00 0.00 C ATOM 1431 CE LYS B 7 -22.275 12.768 3.205 1.00 0.00 C ATOM 1432 NZ LYS B 7 -21.818 14.114 2.758 1.00 0.00 N ATOM 0 H LYS B 7 -24.854 8.798 0.558 1.00 0.00 H new ATOM 0 HA LYS B 7 -25.360 8.767 3.427 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -23.353 9.848 2.370 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -24.419 10.985 1.569 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -25.237 11.330 4.143 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -23.572 10.858 4.422 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -24.240 12.978 2.363 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -24.143 13.393 4.063 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -21.830 12.538 4.173 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -21.920 12.013 2.503 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -20.795 14.206 2.923 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -22.016 14.229 1.744 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -22.323 14.848 3.295 1.00 0.00 H new ATOM 1532 N GLU B 13 -23.880 9.887 8.419 1.00 0.00 N ATOM 1533 CA GLU B 13 -22.481 9.948 8.022 1.00 0.00 C ATOM 1534 C GLU B 13 -21.978 8.574 7.576 1.00 0.00 C ATOM 1535 O GLU B 13 -22.589 7.550 7.882 1.00 0.00 O ATOM 1536 CB GLU B 13 -21.629 10.480 9.180 1.00 0.00 C ATOM 1537 CG GLU B 13 -21.858 9.757 10.499 1.00 0.00 C ATOM 1538 CD GLU B 13 -20.719 9.954 11.484 1.00 0.00 C ATOM 1539 OE1 GLU B 13 -19.547 9.823 11.073 1.00 0.00 O ATOM 1540 OE2 GLU B 13 -21.003 10.237 12.667 1.00 0.00 O ATOM 0 HA GLU B 13 -22.393 10.629 7.176 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -20.576 10.398 8.910 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -21.841 11.540 9.317 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -22.785 10.113 10.947 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -21.986 8.692 10.307 1.00 0.00 H new ATOM 1547 N TYR B 14 -20.863 8.563 6.846 1.00 0.00 N ATOM 1548 CA TYR B 14 -20.279 7.315 6.353 1.00 0.00 C ATOM 1549 C TYR B 14 -19.592 6.536 7.473 1.00 0.00 C ATOM 1550 O TYR B 14 -19.664 5.307 7.516 1.00 0.00 O ATOM 1551 CB TYR B 14 -19.272 7.597 5.237 1.00 0.00 C ATOM 1552 CG TYR B 14 -19.849 8.366 4.071 1.00 0.00 C ATOM 1553 CD1 TYR B 14 -20.721 7.759 3.176 1.00 0.00 C ATOM 1554 CD2 TYR B 14 -19.517 9.697 3.866 1.00 0.00 C ATOM 1555 CE1 TYR B 14 -21.246 8.460 2.109 1.00 0.00 C ATOM 1556 CE2 TYR B 14 -20.035 10.404 2.802 1.00 0.00 C ATOM 1557 CZ TYR B 14 -20.900 9.782 1.926 1.00 0.00 C ATOM 1558 OH TYR B 14 -21.414 10.489 0.864 1.00 0.00 O ATOM 0 H TYR B 14 -20.347 9.402 6.583 1.00 0.00 H new ATOM 0 HA TYR B 14 -21.095 6.708 5.961 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -18.434 8.158 5.651 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -18.873 6.650 4.873 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -20.992 6.723 3.317 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -18.842 10.188 4.551 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -21.924 7.976 1.422 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -19.765 11.439 2.655 1.00 0.00 H new ATOM 0 HH TYR B 14 -22.286 10.118 0.615 1.00 0.00 H new ATOM 1568 N GLY B 15 -18.917 7.258 8.369 1.00 0.00 N ATOM 1569 CA GLY B 15 -18.219 6.618 9.471 1.00 0.00 C ATOM 1570 C GLY B 15 -16.985 5.845 9.029 1.00 0.00 C ATOM 1571 O GLY B 15 -16.587 4.882 9.686 1.00 0.00 O ATOM 0 H GLY B 15 -18.842 8.275 8.349 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -17.924 7.377 10.196 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -18.903 5.939 9.980 1.00 0.00 H new ATOM 1575 N LEU B 16 -16.372 6.266 7.919 1.00 0.00 N ATOM 1576 CA LEU B 16 -15.174 5.600 7.410 1.00 0.00 C ATOM 1577 C LEU B 16 -13.947 6.495 7.582 1.00 0.00 C ATOM 1578 O LEU B 16 -13.902 7.611 7.063 1.00 0.00 O ATOM 1579 CB LEU B 16 -15.350 5.199 5.937 1.00 0.00 C ATOM 1580 CG LEU B 16 -15.653 6.343 4.960 1.00 0.00 C ATOM 1581 CD1 LEU B 16 -14.383 6.806 4.262 1.00 0.00 C ATOM 1582 CD2 LEU B 16 -16.692 5.908 3.934 1.00 0.00 C ATOM 0 H LEU B 16 -16.684 7.060 7.360 1.00 0.00 H new ATOM 0 HA LEU B 16 -15.021 4.690 7.991 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -14.441 4.697 5.607 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -16.158 4.470 5.874 1.00 0.00 H new ATOM 0 HG LEU B 16 -16.056 7.180 5.531 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -14.621 7.617 3.574 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -13.667 7.158 5.005 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -13.949 5.975 3.706 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -16.895 6.732 3.250 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -16.313 5.054 3.372 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -17.613 5.626 4.445 1.00 0.00 H new ATOM 1594 N ARG B 17 -12.959 5.998 8.329 1.00 0.00 N ATOM 1595 CA ARG B 17 -11.733 6.750 8.586 1.00 0.00 C ATOM 1596 C ARG B 17 -10.799 6.704 7.382 1.00 0.00 C ATOM 1597 O ARG B 17 -10.417 5.630 6.919 1.00 0.00 O ATOM 1598 CB ARG B 17 -11.020 6.205 9.828 1.00 0.00 C ATOM 1599 CG ARG B 17 -10.415 7.293 10.702 1.00 0.00 C ATOM 1600 CD ARG B 17 -9.649 6.708 11.880 1.00 0.00 C ATOM 1601 NE ARG B 17 -9.209 7.742 12.816 1.00 0.00 N ATOM 1602 CZ ARG B 17 -8.222 8.608 12.568 1.00 0.00 C ATOM 1603 NH1 ARG B 17 -7.558 8.565 11.415 1.00 0.00 N ATOM 1604 NH2 ARG B 17 -7.896 9.520 13.479 1.00 0.00 N ATOM 0 H ARG B 17 -12.986 5.077 8.766 1.00 0.00 H new ATOM 0 HA ARG B 17 -12.009 7.789 8.765 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -11.729 5.626 10.420 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -10.232 5.521 9.515 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -9.746 7.910 10.103 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -11.206 7.946 11.071 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -10.281 5.991 12.403 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -8.782 6.159 11.512 1.00 0.00 H new ATOM 0 HE ARG B 17 -9.686 7.806 13.715 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -7.801 7.867 10.712 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -6.806 9.230 11.234 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -8.399 9.558 14.366 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -7.143 10.182 13.291 1.00 0.00 H new ATOM 1618 N LEU B 18 -10.437 7.881 6.882 1.00 0.00 N ATOM 1619 CA LEU B 18 -9.550 7.988 5.729 1.00 0.00 C ATOM 1620 C LEU B 18 -8.100 8.192 6.160 1.00 0.00 C ATOM 1621 O LEU B 18 -7.823 8.889 7.138 1.00 0.00 O ATOM 1622 CB LEU B 18 -9.990 9.147 4.832 1.00 0.00 C ATOM 1623 CG LEU B 18 -10.321 8.770 3.387 1.00 0.00 C ATOM 1624 CD1 LEU B 18 -9.135 8.091 2.721 1.00 0.00 C ATOM 1625 CD2 LEU B 18 -11.552 7.875 3.336 1.00 0.00 C ATOM 0 H LEU B 18 -10.746 8.777 7.259 1.00 0.00 H new ATOM 0 HA LEU B 18 -9.612 7.053 5.172 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -10.868 9.616 5.277 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -9.199 9.897 4.822 1.00 0.00 H new ATOM 0 HG LEU B 18 -10.540 9.685 2.837 1.00 0.00 H new ATOM 0 HD11 LEU B 18 -9.394 7.832 1.694 1.00 0.00 H new ATOM 0 HD12 LEU B 18 -8.281 8.769 2.720 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -8.879 7.185 3.270 1.00 0.00 H new ATOM 0 HD21 LEU B 18 -11.772 7.617 2.300 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -11.363 6.964 3.904 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -12.403 8.402 3.767 1.00 0.00 H new ATOM 1637 N ALA B 19 -7.180 7.587 5.413 1.00 0.00 N ATOM 1638 CA ALA B 19 -5.755 7.702 5.698 1.00 0.00 C ATOM 1639 C ALA B 19 -4.936 7.640 4.408 1.00 0.00 C ATOM 1640 O ALA B 19 -5.488 7.423 3.327 1.00 0.00 O ATOM 1641 CB ALA B 19 -5.321 6.617 6.669 1.00 0.00 C ATOM 0 H ALA B 19 -7.399 7.009 4.602 1.00 0.00 H new ATOM 0 HA ALA B 19 -5.573 8.671 6.163 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -4.255 6.716 6.872 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -5.879 6.718 7.600 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -5.518 5.638 6.232 1.00 0.00 H new ATOM 1647 N SER B 20 -3.620 7.836 4.518 1.00 0.00 N ATOM 1648 CA SER B 20 -2.749 7.804 3.343 1.00 0.00 C ATOM 1649 C SER B 20 -1.400 7.156 3.651 1.00 0.00 C ATOM 1650 O SER B 20 -0.937 7.163 4.794 1.00 0.00 O ATOM 1651 CB SER B 20 -2.536 9.220 2.799 1.00 0.00 C ATOM 1652 OG SER B 20 -1.783 10.012 3.702 1.00 0.00 O ATOM 0 H SER B 20 -3.139 8.017 5.399 1.00 0.00 H new ATOM 0 HA SER B 20 -3.246 7.196 2.587 1.00 0.00 H new ATOM 0 HB2 SER B 20 -2.021 9.169 1.840 1.00 0.00 H new ATOM 0 HB3 SER B 20 -3.502 9.691 2.617 1.00 0.00 H new ATOM 0 HG SER B 20 -1.662 10.909 3.327 1.00 0.00 H new ATOM 1658 N HIS B 21 -0.777 6.598 2.612 1.00 0.00 N ATOM 1659 CA HIS B 21 0.521 5.941 2.743 1.00 0.00 C ATOM 1660 C HIS B 21 1.529 6.535 1.755 1.00 0.00 C ATOM 1661 O HIS B 21 1.182 7.393 0.939 1.00 0.00 O ATOM 1662 CB HIS B 21 0.375 4.437 2.487 1.00 0.00 C ATOM 1663 CG HIS B 21 0.444 3.609 3.730 1.00 0.00 C ATOM 1664 ND1 HIS B 21 1.361 2.596 3.911 1.00 0.00 N ATOM 1665 CD2 HIS B 21 -0.300 3.646 4.856 1.00 0.00 C ATOM 1666 CE1 HIS B 21 1.174 2.044 5.095 1.00 0.00 C ATOM 1667 NE2 HIS B 21 0.172 2.663 5.688 1.00 0.00 N ATOM 0 H HIS B 21 -1.155 6.589 1.665 1.00 0.00 H new ATOM 0 HA HIS B 21 0.887 6.102 3.757 1.00 0.00 H new ATOM 0 HB2 HIS B 21 -0.577 4.252 1.990 1.00 0.00 H new ATOM 0 HB3 HIS B 21 1.160 4.116 1.802 1.00 0.00 H new ATOM 0 HD2 HIS B 21 -1.115 4.324 5.063 1.00 0.00 H new ATOM 0 HE1 HIS B 21 1.744 1.225 5.508 1.00 0.00 H new ATOM 0 HE2 HIS B 21 -0.193 2.446 6.615 1.00 0.00 H new ATOM 1676 N ILE B 22 2.777 6.071 1.829 1.00 0.00 N ATOM 1677 CA ILE B 22 3.833 6.553 0.938 1.00 0.00 C ATOM 1678 C ILE B 22 4.565 5.388 0.273 1.00 0.00 C ATOM 1679 O ILE B 22 4.845 4.375 0.913 1.00 0.00 O ATOM 1680 CB ILE B 22 4.854 7.425 1.704 1.00 0.00 C ATOM 1681 CG1 ILE B 22 4.152 8.600 2.388 1.00 0.00 C ATOM 1682 CG2 ILE B 22 5.945 7.929 0.770 1.00 0.00 C ATOM 1683 CD1 ILE B 22 3.503 9.570 1.422 1.00 0.00 C ATOM 0 H ILE B 22 3.081 5.362 2.496 1.00 0.00 H new ATOM 0 HA ILE B 22 3.353 7.159 0.169 1.00 0.00 H new ATOM 0 HB ILE B 22 5.320 6.806 2.471 1.00 0.00 H new ATOM 0 HG12 ILE B 22 3.391 8.212 3.065 1.00 0.00 H new ATOM 0 HG13 ILE B 22 4.877 9.139 2.998 1.00 0.00 H new ATOM 0 HG21 ILE B 22 6.651 8.540 1.332 1.00 0.00 H new ATOM 0 HG22 ILE B 22 6.469 7.080 0.331 1.00 0.00 H new ATOM 0 HG23 ILE B 22 5.497 8.528 -0.023 1.00 0.00 H new ATOM 0 HD11 ILE B 22 3.026 10.375 1.981 1.00 0.00 H new ATOM 0 HD12 ILE B 22 4.262 9.987 0.760 1.00 0.00 H new ATOM 0 HD13 ILE B 22 2.753 9.046 0.829 1.00 0.00 H new ATOM 1695 N PHE B 23 4.873 5.539 -1.016 1.00 0.00 N ATOM 1696 CA PHE B 23 5.573 4.496 -1.766 1.00 0.00 C ATOM 1697 C PHE B 23 6.538 5.100 -2.793 1.00 0.00 C ATOM 1698 O PHE B 23 6.629 6.320 -2.934 1.00 0.00 O ATOM 1699 CB PHE B 23 4.565 3.579 -2.468 1.00 0.00 C ATOM 1700 CG PHE B 23 3.883 4.224 -3.642 1.00 0.00 C ATOM 1701 CD1 PHE B 23 2.972 5.250 -3.449 1.00 0.00 C ATOM 1702 CD2 PHE B 23 4.160 3.814 -4.936 1.00 0.00 C ATOM 1703 CE1 PHE B 23 2.351 5.854 -4.524 1.00 0.00 C ATOM 1704 CE2 PHE B 23 3.543 4.416 -6.016 1.00 0.00 C ATOM 1705 CZ PHE B 23 2.636 5.438 -5.808 1.00 0.00 C ATOM 0 H PHE B 23 4.649 6.372 -1.561 1.00 0.00 H new ATOM 0 HA PHE B 23 6.157 3.910 -1.057 1.00 0.00 H new ATOM 0 HB2 PHE B 23 5.079 2.679 -2.806 1.00 0.00 H new ATOM 0 HB3 PHE B 23 3.810 3.264 -1.748 1.00 0.00 H new ATOM 0 HD1 PHE B 23 2.745 5.581 -2.446 1.00 0.00 H new ATOM 0 HD2 PHE B 23 4.867 3.014 -5.103 1.00 0.00 H new ATOM 0 HE1 PHE B 23 1.642 6.652 -4.360 1.00 0.00 H new ATOM 0 HE2 PHE B 23 3.769 4.089 -7.020 1.00 0.00 H new ATOM 0 HZ PHE B 23 2.151 5.910 -6.650 1.00 0.00 H new ATOM 1715 N VAL B 24 7.252 4.232 -3.509 1.00 0.00 N ATOM 1716 CA VAL B 24 8.210 4.670 -4.525 1.00 0.00 C ATOM 1717 C VAL B 24 7.663 4.434 -5.932 1.00 0.00 C ATOM 1718 O VAL B 24 7.501 3.291 -6.360 1.00 0.00 O ATOM 1719 CB VAL B 24 9.561 3.935 -4.381 1.00 0.00 C ATOM 1720 CG1 VAL B 24 10.615 4.560 -5.283 1.00 0.00 C ATOM 1721 CG2 VAL B 24 10.024 3.937 -2.931 1.00 0.00 C ATOM 0 H VAL B 24 7.185 3.220 -3.404 1.00 0.00 H new ATOM 0 HA VAL B 24 8.368 5.737 -4.372 1.00 0.00 H new ATOM 0 HB VAL B 24 9.418 2.900 -4.692 1.00 0.00 H new ATOM 0 HG11 VAL B 24 11.558 4.026 -5.165 1.00 0.00 H new ATOM 0 HG12 VAL B 24 10.290 4.496 -6.321 1.00 0.00 H new ATOM 0 HG13 VAL B 24 10.754 5.606 -5.010 1.00 0.00 H new ATOM 0 HG21 VAL B 24 10.977 3.414 -2.853 1.00 0.00 H new ATOM 0 HG22 VAL B 24 10.145 4.965 -2.589 1.00 0.00 H new ATOM 0 HG23 VAL B 24 9.282 3.433 -2.311 1.00 0.00 H new ATOM 1731 N LYS B 25 7.387 5.523 -6.651 1.00 0.00 N ATOM 1732 CA LYS B 25 6.865 5.435 -8.017 1.00 0.00 C ATOM 1733 C LYS B 25 7.837 4.682 -8.934 1.00 0.00 C ATOM 1734 O LYS B 25 7.415 3.897 -9.783 1.00 0.00 O ATOM 1735 CB LYS B 25 6.595 6.835 -8.577 1.00 0.00 C ATOM 1736 CG LYS B 25 5.656 6.851 -9.776 1.00 0.00 C ATOM 1737 CD LYS B 25 4.210 6.611 -9.366 1.00 0.00 C ATOM 1738 CE LYS B 25 3.303 6.470 -10.581 1.00 0.00 C ATOM 1739 NZ LYS B 25 3.336 5.092 -11.150 1.00 0.00 N ATOM 0 H LYS B 25 7.516 6.476 -6.311 1.00 0.00 H new ATOM 0 HA LYS B 25 5.928 4.879 -7.981 1.00 0.00 H new ATOM 0 HB2 LYS B 25 6.171 7.455 -7.788 1.00 0.00 H new ATOM 0 HB3 LYS B 25 7.543 7.289 -8.865 1.00 0.00 H new ATOM 0 HG2 LYS B 25 5.734 7.811 -10.286 1.00 0.00 H new ATOM 0 HG3 LYS B 25 5.963 6.086 -10.488 1.00 0.00 H new ATOM 0 HD2 LYS B 25 4.148 5.709 -8.757 1.00 0.00 H new ATOM 0 HD3 LYS B 25 3.864 7.438 -8.746 1.00 0.00 H new ATOM 0 HE2 LYS B 25 2.280 6.721 -10.300 1.00 0.00 H new ATOM 0 HE3 LYS B 25 3.608 7.185 -11.345 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 2.704 5.042 -11.975 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 4.307 4.860 -11.443 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 3.020 4.411 -10.430 1.00 0.00 H new ATOM 1753 N GLU B 26 9.136 4.929 -8.752 1.00 0.00 N ATOM 1754 CA GLU B 26 10.172 4.278 -9.557 1.00 0.00 C ATOM 1755 C GLU B 26 11.565 4.703 -9.100 1.00 0.00 C ATOM 1756 O GLU B 26 11.708 5.582 -8.248 1.00 0.00 O ATOM 1757 CB GLU B 26 9.991 4.616 -11.042 1.00 0.00 C ATOM 1758 CG GLU B 26 10.181 3.423 -11.969 1.00 0.00 C ATOM 1759 CD GLU B 26 10.838 3.804 -13.281 1.00 0.00 C ATOM 1760 OE1 GLU B 26 10.212 4.549 -14.065 1.00 0.00 O ATOM 1761 OE2 GLU B 26 11.979 3.358 -13.526 1.00 0.00 O ATOM 0 H GLU B 26 9.496 5.577 -8.052 1.00 0.00 H new ATOM 0 HA GLU B 26 10.072 3.201 -9.421 1.00 0.00 H new ATOM 0 HB2 GLU B 26 8.993 5.027 -11.193 1.00 0.00 H new ATOM 0 HB3 GLU B 26 10.701 5.396 -11.317 1.00 0.00 H new ATOM 0 HG2 GLU B 26 10.789 2.671 -11.467 1.00 0.00 H new ATOM 0 HG3 GLU B 26 9.212 2.966 -12.171 1.00 0.00 H new ATOM 1768 N ILE B 27 12.593 4.080 -9.676 1.00 0.00 N ATOM 1769 CA ILE B 27 13.976 4.401 -9.334 1.00 0.00 C ATOM 1770 C ILE B 27 14.803 4.657 -10.593 1.00 0.00 C ATOM 1771 O ILE B 27 14.677 3.939 -11.586 1.00 0.00 O ATOM 1772 CB ILE B 27 14.646 3.278 -8.509 1.00 0.00 C ATOM 1773 CG1 ILE B 27 13.744 2.848 -7.348 1.00 0.00 C ATOM 1774 CG2 ILE B 27 15.998 3.744 -7.979 1.00 0.00 C ATOM 1775 CD1 ILE B 27 12.961 1.583 -7.625 1.00 0.00 C ATOM 0 H ILE B 27 12.493 3.350 -10.382 1.00 0.00 H new ATOM 0 HA ILE B 27 13.944 5.305 -8.725 1.00 0.00 H new ATOM 0 HB ILE B 27 14.801 2.420 -9.163 1.00 0.00 H new ATOM 0 HG12 ILE B 27 14.357 2.699 -6.459 1.00 0.00 H new ATOM 0 HG13 ILE B 27 13.047 3.655 -7.123 1.00 0.00 H new ATOM 0 HG21 ILE B 27 16.458 2.943 -7.400 1.00 0.00 H new ATOM 0 HG22 ILE B 27 16.646 4.005 -8.815 1.00 0.00 H new ATOM 0 HG23 ILE B 27 15.858 4.617 -7.342 1.00 0.00 H new ATOM 0 HD11 ILE B 27 12.345 1.340 -6.759 1.00 0.00 H new ATOM 0 HD12 ILE B 27 12.322 1.734 -8.495 1.00 0.00 H new ATOM 0 HD13 ILE B 27 13.652 0.763 -7.821 1.00 0.00 H new ATOM 1787 N SER B 28 15.646 5.687 -10.544 1.00 0.00 N ATOM 1788 CA SER B 28 16.495 6.048 -11.676 1.00 0.00 C ATOM 1789 C SER B 28 17.638 5.050 -11.851 1.00 0.00 C ATOM 1790 O SER B 28 18.120 4.467 -10.878 1.00 0.00 O ATOM 1791 CB SER B 28 17.059 7.457 -11.487 1.00 0.00 C ATOM 1792 OG SER B 28 17.534 7.986 -12.712 1.00 0.00 O ATOM 0 H SER B 28 15.759 6.288 -9.728 1.00 0.00 H new ATOM 0 HA SER B 28 15.880 6.024 -12.576 1.00 0.00 H new ATOM 0 HB2 SER B 28 16.286 8.110 -11.081 1.00 0.00 H new ATOM 0 HB3 SER B 28 17.870 7.433 -10.759 1.00 0.00 H new ATOM 0 HG SER B 28 17.888 8.888 -12.564 1.00 0.00 H new ATOM 1798 N GLN B 29 18.068 4.867 -13.098 1.00 0.00 N ATOM 1799 CA GLN B 29 19.158 3.945 -13.409 1.00 0.00 C ATOM 1800 C GLN B 29 20.507 4.533 -13.001 1.00 0.00 C ATOM 1801 O GLN B 29 20.697 5.751 -13.028 1.00 0.00 O ATOM 1802 CB GLN B 29 19.164 3.601 -14.905 1.00 0.00 C ATOM 1803 CG GLN B 29 19.366 4.804 -15.822 1.00 0.00 C ATOM 1804 CD GLN B 29 18.100 5.208 -16.560 1.00 0.00 C ATOM 1805 OE1 GLN B 29 17.008 4.725 -16.259 1.00 0.00 O ATOM 1806 NE2 GLN B 29 18.239 6.101 -17.536 1.00 0.00 N ATOM 0 H GLN B 29 17.678 5.346 -13.910 1.00 0.00 H new ATOM 0 HA GLN B 29 18.995 3.031 -12.838 1.00 0.00 H new ATOM 0 HB2 GLN B 29 19.955 2.875 -15.096 1.00 0.00 H new ATOM 0 HB3 GLN B 29 18.220 3.119 -15.159 1.00 0.00 H new ATOM 0 HG2 GLN B 29 19.721 5.649 -15.231 1.00 0.00 H new ATOM 0 HG3 GLN B 29 20.145 4.573 -16.548 1.00 0.00 H new ATOM 0 HE21 GLN B 29 19.161 6.478 -17.755 1.00 0.00 H new ATOM 0 HE22 GLN B 29 17.423 6.409 -18.065 1.00 0.00 H new ATOM 1815 N ASP B 30 21.439 3.657 -12.624 1.00 0.00 N ATOM 1816 CA ASP B 30 22.779 4.075 -12.206 1.00 0.00 C ATOM 1817 C ASP B 30 22.718 5.041 -11.017 1.00 0.00 C ATOM 1818 O ASP B 30 23.577 5.913 -10.873 1.00 0.00 O ATOM 1819 CB ASP B 30 23.524 4.734 -13.374 1.00 0.00 C ATOM 1820 CG ASP B 30 23.736 3.789 -14.542 1.00 0.00 C ATOM 1821 OD1 ASP B 30 22.748 3.473 -15.239 1.00 0.00 O ATOM 1822 OD2 ASP B 30 24.891 3.366 -14.760 1.00 0.00 O ATOM 0 H ASP B 30 21.290 2.648 -12.599 1.00 0.00 H new ATOM 0 HA ASP B 30 23.320 3.182 -11.893 1.00 0.00 H new ATOM 0 HB2 ASP B 30 22.962 5.604 -13.713 1.00 0.00 H new ATOM 0 HB3 ASP B 30 24.491 5.096 -13.025 1.00 0.00 H new ATOM 1827 N SER B 31 21.702 4.881 -10.168 1.00 0.00 N ATOM 1828 CA SER B 31 21.539 5.744 -9.002 1.00 0.00 C ATOM 1829 C SER B 31 22.019 5.043 -7.729 1.00 0.00 C ATOM 1830 O SER B 31 22.425 3.880 -7.765 1.00 0.00 O ATOM 1831 CB SER B 31 20.070 6.163 -8.856 1.00 0.00 C ATOM 1832 OG SER B 31 19.308 5.165 -8.193 1.00 0.00 O ATOM 0 H SER B 31 20.983 4.164 -10.267 1.00 0.00 H new ATOM 0 HA SER B 31 22.150 6.635 -9.149 1.00 0.00 H new ATOM 0 HB2 SER B 31 20.011 7.098 -8.299 1.00 0.00 H new ATOM 0 HB3 SER B 31 19.645 6.352 -9.842 1.00 0.00 H new ATOM 0 HG SER B 31 18.793 5.575 -7.467 1.00 0.00 H new ATOM 1838 N LEU B 32 21.961 5.759 -6.607 1.00 0.00 N ATOM 1839 CA LEU B 32 22.380 5.207 -5.320 1.00 0.00 C ATOM 1840 C LEU B 32 21.553 3.969 -4.970 1.00 0.00 C ATOM 1841 O LEU B 32 22.077 2.999 -4.421 1.00 0.00 O ATOM 1842 CB LEU B 32 22.248 6.261 -4.216 1.00 0.00 C ATOM 1843 CG LEU B 32 23.155 7.483 -4.373 1.00 0.00 C ATOM 1844 CD1 LEU B 32 22.677 8.618 -3.480 1.00 0.00 C ATOM 1845 CD2 LEU B 32 24.598 7.120 -4.055 1.00 0.00 C ATOM 0 H LEU B 32 21.628 6.722 -6.563 1.00 0.00 H new ATOM 0 HA LEU B 32 23.427 4.914 -5.399 1.00 0.00 H new ATOM 0 HB2 LEU B 32 21.212 6.599 -4.180 1.00 0.00 H new ATOM 0 HB3 LEU B 32 22.463 5.789 -3.257 1.00 0.00 H new ATOM 0 HG LEU B 32 23.107 7.819 -5.409 1.00 0.00 H new ATOM 0 HD11 LEU B 32 23.333 9.479 -3.604 1.00 0.00 H new ATOM 0 HD12 LEU B 32 21.659 8.894 -3.756 1.00 0.00 H new ATOM 0 HD13 LEU B 32 22.695 8.295 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU B 32 25.229 8.001 -4.172 1.00 0.00 H new ATOM 0 HD22 LEU B 32 24.665 6.759 -3.029 1.00 0.00 H new ATOM 0 HD23 LEU B 32 24.935 6.339 -4.737 1.00 0.00 H new ATOM 1857 N ALA B 33 20.261 4.007 -5.307 1.00 0.00 N ATOM 1858 CA ALA B 33 19.362 2.883 -5.047 1.00 0.00 C ATOM 1859 C ALA B 33 19.700 1.692 -5.945 1.00 0.00 C ATOM 1860 O ALA B 33 19.596 0.540 -5.520 1.00 0.00 O ATOM 1861 CB ALA B 33 17.915 3.306 -5.256 1.00 0.00 C ATOM 0 H ALA B 33 19.816 4.805 -5.760 1.00 0.00 H new ATOM 0 HA ALA B 33 19.494 2.575 -4.010 1.00 0.00 H new ATOM 0 HB1 ALA B 33 17.257 2.460 -5.059 1.00 0.00 H new ATOM 0 HB2 ALA B 33 17.672 4.121 -4.574 1.00 0.00 H new ATOM 0 HB3 ALA B 33 17.779 3.640 -6.284 1.00 0.00 H new ATOM 1867 N ALA B 34 20.107 1.977 -7.184 1.00 0.00 N ATOM 1868 CA ALA B 34 20.465 0.926 -8.138 1.00 0.00 C ATOM 1869 C ALA B 34 21.610 0.067 -7.604 1.00 0.00 C ATOM 1870 O ALA B 34 21.538 -1.162 -7.635 1.00 0.00 O ATOM 1871 CB ALA B 34 20.839 1.533 -9.482 1.00 0.00 C ATOM 0 H ALA B 34 20.197 2.925 -7.549 1.00 0.00 H new ATOM 0 HA ALA B 34 19.595 0.283 -8.275 1.00 0.00 H new ATOM 0 HB1 ALA B 34 21.102 0.738 -10.180 1.00 0.00 H new ATOM 0 HB2 ALA B 34 19.992 2.095 -9.876 1.00 0.00 H new ATOM 0 HB3 ALA B 34 21.691 2.201 -9.355 1.00 0.00 H new ATOM 1877 N ARG B 35 22.659 0.720 -7.103 1.00 0.00 N ATOM 1878 CA ARG B 35 23.812 0.011 -6.548 1.00 0.00 C ATOM 1879 C ARG B 35 23.442 -0.667 -5.228 1.00 0.00 C ATOM 1880 O ARG B 35 23.915 -1.765 -4.931 1.00 0.00 O ATOM 1881 CB ARG B 35 24.985 0.972 -6.326 1.00 0.00 C ATOM 1882 CG ARG B 35 25.830 1.208 -7.570 1.00 0.00 C ATOM 1883 CD ARG B 35 26.738 0.021 -7.863 1.00 0.00 C ATOM 1884 NE ARG B 35 28.076 0.438 -8.286 1.00 0.00 N ATOM 1885 CZ ARG B 35 28.951 -0.362 -8.907 1.00 0.00 C ATOM 1886 NH1 ARG B 35 28.638 -1.625 -9.180 1.00 0.00 N ATOM 1887 NH2 ARG B 35 30.145 0.107 -9.255 1.00 0.00 N ATOM 0 H ARG B 35 22.734 1.737 -7.070 1.00 0.00 H new ATOM 0 HA ARG B 35 24.114 -0.752 -7.265 1.00 0.00 H new ATOM 0 HB2 ARG B 35 24.598 1.928 -5.975 1.00 0.00 H new ATOM 0 HB3 ARG B 35 25.622 0.576 -5.535 1.00 0.00 H new ATOM 0 HG2 ARG B 35 25.178 1.388 -8.425 1.00 0.00 H new ATOM 0 HG3 ARG B 35 26.434 2.105 -7.435 1.00 0.00 H new ATOM 0 HD2 ARG B 35 26.818 -0.601 -6.972 1.00 0.00 H new ATOM 0 HD3 ARG B 35 26.288 -0.595 -8.642 1.00 0.00 H new ATOM 0 HE ARG B 35 28.359 1.399 -8.095 1.00 0.00 H new ATOM 0 HH11 ARG B 35 27.724 -1.992 -8.916 1.00 0.00 H new ATOM 0 HH12 ARG B 35 29.312 -2.227 -9.654 1.00 0.00 H new ATOM 0 HH21 ARG B 35 30.393 1.075 -9.049 1.00 0.00 H new ATOM 0 HH22 ARG B 35 30.814 -0.501 -9.728 1.00 0.00 H new ATOM 1901 N ASP B 36 22.591 -0.005 -4.442 1.00 0.00 N ATOM 1902 CA ASP B 36 22.153 -0.545 -3.156 1.00 0.00 C ATOM 1903 C ASP B 36 21.274 -1.783 -3.347 1.00 0.00 C ATOM 1904 O ASP B 36 21.369 -2.743 -2.583 1.00 0.00 O ATOM 1905 CB ASP B 36 21.386 0.519 -2.362 1.00 0.00 C ATOM 1906 CG ASP B 36 21.669 0.460 -0.871 1.00 0.00 C ATOM 1907 OD1 ASP B 36 22.856 0.370 -0.491 1.00 0.00 O ATOM 1908 OD2 ASP B 36 20.700 0.507 -0.084 1.00 0.00 O ATOM 0 H ASP B 36 22.192 0.905 -4.674 1.00 0.00 H new ATOM 0 HA ASP B 36 23.042 -0.837 -2.598 1.00 0.00 H new ATOM 0 HB2 ASP B 36 21.650 1.507 -2.738 1.00 0.00 H new ATOM 0 HB3 ASP B 36 20.317 0.390 -2.529 1.00 0.00 H new ATOM 1913 N GLY B 37 20.417 -1.748 -4.370 1.00 0.00 N ATOM 1914 CA GLY B 37 19.533 -2.869 -4.644 1.00 0.00 C ATOM 1915 C GLY B 37 18.555 -3.141 -3.513 1.00 0.00 C ATOM 1916 O GLY B 37 18.240 -4.298 -3.227 1.00 0.00 O ATOM 0 H GLY B 37 20.321 -0.962 -5.013 1.00 0.00 H new ATOM 0 HA2 GLY B 37 18.976 -2.670 -5.560 1.00 0.00 H new ATOM 0 HA3 GLY B 37 20.132 -3.762 -4.823 1.00 0.00 H new ATOM 1920 N ASN B 38 18.075 -2.078 -2.863 1.00 0.00 N ATOM 1921 CA ASN B 38 17.132 -2.223 -1.751 1.00 0.00 C ATOM 1922 C ASN B 38 15.753 -1.651 -2.095 1.00 0.00 C ATOM 1923 O ASN B 38 14.731 -2.212 -1.698 1.00 0.00 O ATOM 1924 CB ASN B 38 17.683 -1.550 -0.492 1.00 0.00 C ATOM 1925 CG ASN B 38 18.570 -2.481 0.316 1.00 0.00 C ATOM 1926 OD1 ASN B 38 18.194 -3.618 0.601 1.00 0.00 O ATOM 1927 ND2 ASN B 38 19.752 -2.004 0.691 1.00 0.00 N ATOM 0 H ASN B 38 18.322 -1.114 -3.085 1.00 0.00 H new ATOM 0 HA ASN B 38 17.011 -3.290 -1.563 1.00 0.00 H new ATOM 0 HB2 ASN B 38 18.252 -0.664 -0.775 1.00 0.00 H new ATOM 0 HB3 ASN B 38 16.854 -1.211 0.129 1.00 0.00 H new ATOM 0 HD21 ASN B 38 20.387 -2.586 1.237 1.00 0.00 H new ATOM 0 HD22 ASN B 38 20.024 -1.055 0.433 1.00 0.00 H new ATOM 1934 N ILE B 39 15.727 -0.535 -2.825 1.00 0.00 N ATOM 1935 CA ILE B 39 14.466 0.101 -3.210 1.00 0.00 C ATOM 1936 C ILE B 39 13.980 -0.402 -4.570 1.00 0.00 C ATOM 1937 O ILE B 39 14.756 -0.488 -5.522 1.00 0.00 O ATOM 1938 CB ILE B 39 14.599 1.640 -3.270 1.00 0.00 C ATOM 1939 CG1 ILE B 39 15.261 2.177 -1.996 1.00 0.00 C ATOM 1940 CG2 ILE B 39 13.237 2.290 -3.477 1.00 0.00 C ATOM 1941 CD1 ILE B 39 16.390 3.147 -2.265 1.00 0.00 C ATOM 0 H ILE B 39 16.562 -0.054 -3.161 1.00 0.00 H new ATOM 0 HA ILE B 39 13.740 -0.167 -2.443 1.00 0.00 H new ATOM 0 HB ILE B 39 15.233 1.893 -4.119 1.00 0.00 H new ATOM 0 HG12 ILE B 39 14.506 2.671 -1.384 1.00 0.00 H new ATOM 0 HG13 ILE B 39 15.644 1.339 -1.414 1.00 0.00 H new ATOM 0 HG21 ILE B 39 13.353 3.373 -3.516 1.00 0.00 H new ATOM 0 HG22 ILE B 39 12.804 1.937 -4.413 1.00 0.00 H new ATOM 0 HG23 ILE B 39 12.578 2.025 -2.650 1.00 0.00 H new ATOM 0 HD11 ILE B 39 16.812 3.486 -1.319 1.00 0.00 H new ATOM 0 HD12 ILE B 39 17.164 2.651 -2.850 1.00 0.00 H new ATOM 0 HD13 ILE B 39 16.009 4.004 -2.820 1.00 0.00 H new ATOM 1953 N GLN B 40 12.687 -0.724 -4.651 1.00 0.00 N ATOM 1954 CA GLN B 40 12.089 -1.209 -5.896 1.00 0.00 C ATOM 1955 C GLN B 40 10.818 -0.433 -6.227 1.00 0.00 C ATOM 1956 O GLN B 40 10.103 0.012 -5.328 1.00 0.00 O ATOM 1957 CB GLN B 40 11.770 -2.702 -5.793 1.00 0.00 C ATOM 1958 CG GLN B 40 12.902 -3.597 -6.267 1.00 0.00 C ATOM 1959 CD GLN B 40 12.637 -5.069 -6.009 1.00 0.00 C ATOM 1960 OE1 GLN B 40 11.912 -5.431 -5.081 1.00 0.00 O ATOM 1961 NE2 GLN B 40 13.228 -5.929 -6.832 1.00 0.00 N ATOM 0 H GLN B 40 12.035 -0.658 -3.870 1.00 0.00 H new ATOM 0 HA GLN B 40 12.812 -1.054 -6.697 1.00 0.00 H new ATOM 0 HB2 GLN B 40 11.535 -2.945 -4.757 1.00 0.00 H new ATOM 0 HB3 GLN B 40 10.877 -2.916 -6.381 1.00 0.00 H new ATOM 0 HG2 GLN B 40 13.058 -3.443 -7.335 1.00 0.00 H new ATOM 0 HG3 GLN B 40 13.824 -3.305 -5.764 1.00 0.00 H new ATOM 0 HE21 GLN B 40 13.821 -5.586 -7.588 1.00 0.00 H new ATOM 0 HE22 GLN B 40 13.089 -6.932 -6.708 1.00 0.00 H new ATOM 1970 N GLU B 41 10.540 -0.269 -7.524 1.00 0.00 N ATOM 1971 CA GLU B 41 9.350 0.459 -7.967 1.00 0.00 C ATOM 1972 C GLU B 41 8.080 -0.179 -7.411 1.00 0.00 C ATOM 1973 O GLU B 41 7.815 -1.360 -7.640 1.00 0.00 O ATOM 1974 CB GLU B 41 9.274 0.524 -9.499 1.00 0.00 C ATOM 1975 CG GLU B 41 9.493 -0.816 -10.196 1.00 0.00 C ATOM 1976 CD GLU B 41 8.375 -1.173 -11.161 1.00 0.00 C ATOM 1977 OE1 GLU B 41 7.928 -0.281 -11.914 1.00 0.00 O ATOM 1978 OE2 GLU B 41 7.951 -2.347 -11.169 1.00 0.00 O ATOM 0 H GLU B 41 11.121 -0.629 -8.281 1.00 0.00 H new ATOM 0 HA GLU B 41 9.430 1.476 -7.582 1.00 0.00 H new ATOM 0 HB2 GLU B 41 8.298 0.915 -9.786 1.00 0.00 H new ATOM 0 HB3 GLU B 41 10.020 1.233 -9.858 1.00 0.00 H new ATOM 0 HG2 GLU B 41 10.438 -0.787 -10.738 1.00 0.00 H new ATOM 0 HG3 GLU B 41 9.581 -1.600 -9.444 1.00 0.00 H new ATOM 1985 N GLY B 42 7.305 0.610 -6.670 1.00 0.00 N ATOM 1986 CA GLY B 42 6.076 0.109 -6.079 1.00 0.00 C ATOM 1987 C GLY B 42 6.196 -0.126 -4.580 1.00 0.00 C ATOM 1988 O GLY B 42 5.186 -0.186 -3.877 1.00 0.00 O ATOM 0 H GLY B 42 7.507 1.589 -6.468 1.00 0.00 H new ATOM 0 HA2 GLY B 42 5.271 0.820 -6.268 1.00 0.00 H new ATOM 0 HA3 GLY B 42 5.797 -0.825 -6.567 1.00 0.00 H new ATOM 1992 N ASP B 43 7.433 -0.257 -4.088 1.00 0.00 N ATOM 1993 CA ASP B 43 7.680 -0.485 -2.665 1.00 0.00 C ATOM 1994 C ASP B 43 7.034 0.606 -1.811 1.00 0.00 C ATOM 1995 O ASP B 43 7.122 1.793 -2.132 1.00 0.00 O ATOM 1996 CB ASP B 43 9.187 -0.540 -2.387 1.00 0.00 C ATOM 1997 CG ASP B 43 9.757 -1.948 -2.454 1.00 0.00 C ATOM 1998 OD1 ASP B 43 8.984 -2.920 -2.301 1.00 0.00 O ATOM 1999 OD2 ASP B 43 10.980 -2.078 -2.661 1.00 0.00 O ATOM 0 H ASP B 43 8.278 -0.209 -4.657 1.00 0.00 H new ATOM 0 HA ASP B 43 7.231 -1.442 -2.397 1.00 0.00 H new ATOM 0 HB2 ASP B 43 9.706 0.090 -3.109 1.00 0.00 H new ATOM 0 HB3 ASP B 43 9.383 -0.122 -1.400 1.00 0.00 H new ATOM 2004 N VAL B 44 6.380 0.192 -0.725 1.00 0.00 N ATOM 2005 CA VAL B 44 5.714 1.130 0.176 1.00 0.00 C ATOM 2006 C VAL B 44 6.604 1.473 1.371 1.00 0.00 C ATOM 2007 O VAL B 44 7.037 0.587 2.110 1.00 0.00 O ATOM 2008 CB VAL B 44 4.368 0.566 0.686 1.00 0.00 C ATOM 2009 CG1 VAL B 44 3.594 1.632 1.444 1.00 0.00 C ATOM 2010 CG2 VAL B 44 3.534 0.025 -0.465 1.00 0.00 C ATOM 0 H VAL B 44 6.298 -0.787 -0.449 1.00 0.00 H new ATOM 0 HA VAL B 44 5.520 2.037 -0.397 1.00 0.00 H new ATOM 0 HB VAL B 44 4.585 -0.257 1.367 1.00 0.00 H new ATOM 0 HG11 VAL B 44 2.650 1.216 1.795 1.00 0.00 H new ATOM 0 HG12 VAL B 44 4.181 1.970 2.298 1.00 0.00 H new ATOM 0 HG13 VAL B 44 3.395 2.476 0.784 1.00 0.00 H new ATOM 0 HG21 VAL B 44 2.592 -0.366 -0.080 1.00 0.00 H new ATOM 0 HG22 VAL B 44 3.331 0.826 -1.175 1.00 0.00 H new ATOM 0 HG23 VAL B 44 4.080 -0.774 -0.966 1.00 0.00 H new ATOM 2020 N VAL B 45 6.868 2.766 1.551 1.00 0.00 N ATOM 2021 CA VAL B 45 7.704 3.244 2.651 1.00 0.00 C ATOM 2022 C VAL B 45 6.865 3.557 3.888 1.00 0.00 C ATOM 2023 O VAL B 45 5.770 4.113 3.784 1.00 0.00 O ATOM 2024 CB VAL B 45 8.487 4.514 2.251 1.00 0.00 C ATOM 2025 CG1 VAL B 45 9.499 4.878 3.326 1.00 0.00 C ATOM 2026 CG2 VAL B 45 9.175 4.331 0.904 1.00 0.00 C ATOM 0 H VAL B 45 6.512 3.505 0.945 1.00 0.00 H new ATOM 0 HA VAL B 45 8.407 2.443 2.881 1.00 0.00 H new ATOM 0 HB VAL B 45 7.775 5.334 2.156 1.00 0.00 H new ATOM 0 HG11 VAL B 45 10.041 5.775 3.027 1.00 0.00 H new ATOM 0 HG12 VAL B 45 8.980 5.064 4.266 1.00 0.00 H new ATOM 0 HG13 VAL B 45 10.203 4.056 3.457 1.00 0.00 H new ATOM 0 HG21 VAL B 45 9.719 5.240 0.647 1.00 0.00 H new ATOM 0 HG22 VAL B 45 9.872 3.495 0.962 1.00 0.00 H new ATOM 0 HG23 VAL B 45 8.427 4.127 0.138 1.00 0.00 H new ATOM 2036 N LEU B 46 7.393 3.207 5.058 1.00 0.00 N ATOM 2037 CA LEU B 46 6.704 3.455 6.321 1.00 0.00 C ATOM 2038 C LEU B 46 7.412 4.551 7.122 1.00 0.00 C ATOM 2039 O LEU B 46 6.759 5.399 7.735 1.00 0.00 O ATOM 2040 CB LEU B 46 6.626 2.169 7.153 1.00 0.00 C ATOM 2041 CG LEU B 46 6.274 0.897 6.372 1.00 0.00 C ATOM 2042 CD1 LEU B 46 7.529 0.258 5.797 1.00 0.00 C ATOM 2043 CD2 LEU B 46 5.532 -0.089 7.265 1.00 0.00 C ATOM 0 H LEU B 46 8.299 2.749 5.157 1.00 0.00 H new ATOM 0 HA LEU B 46 5.692 3.790 6.091 1.00 0.00 H new ATOM 0 HB2 LEU B 46 7.586 2.017 7.646 1.00 0.00 H new ATOM 0 HB3 LEU B 46 5.883 2.310 7.938 1.00 0.00 H new ATOM 0 HG LEU B 46 5.620 1.171 5.545 1.00 0.00 H new ATOM 0 HD11 LEU B 46 7.259 -0.643 5.246 1.00 0.00 H new ATOM 0 HD12 LEU B 46 8.020 0.961 5.124 1.00 0.00 H new ATOM 0 HD13 LEU B 46 8.209 -0.003 6.608 1.00 0.00 H new ATOM 0 HD21 LEU B 46 5.290 -0.986 6.694 1.00 0.00 H new ATOM 0 HD22 LEU B 46 6.162 -0.357 8.113 1.00 0.00 H new ATOM 0 HD23 LEU B 46 4.612 0.370 7.628 1.00 0.00 H new ATOM 2055 N LYS B 47 8.748 4.530 7.114 1.00 0.00 N ATOM 2056 CA LYS B 47 9.534 5.525 7.840 1.00 0.00 C ATOM 2057 C LYS B 47 10.743 5.981 7.023 1.00 0.00 C ATOM 2058 O LYS B 47 11.301 5.211 6.238 1.00 0.00 O ATOM 2059 CB LYS B 47 10.005 4.961 9.186 1.00 0.00 C ATOM 2060 CG LYS B 47 8.924 4.944 10.260 1.00 0.00 C ATOM 2061 CD LYS B 47 8.935 3.640 11.045 1.00 0.00 C ATOM 2062 CE LYS B 47 7.579 3.343 11.668 1.00 0.00 C ATOM 2063 NZ LYS B 47 7.155 1.931 11.445 1.00 0.00 N ATOM 0 H LYS B 47 9.304 3.836 6.614 1.00 0.00 H new ATOM 0 HA LYS B 47 8.891 6.387 8.016 1.00 0.00 H new ATOM 0 HB2 LYS B 47 10.370 3.945 9.035 1.00 0.00 H new ATOM 0 HB3 LYS B 47 10.848 5.553 9.542 1.00 0.00 H new ATOM 0 HG2 LYS B 47 9.074 5.781 10.942 1.00 0.00 H new ATOM 0 HG3 LYS B 47 7.947 5.082 9.796 1.00 0.00 H new ATOM 0 HD2 LYS B 47 9.219 2.821 10.384 1.00 0.00 H new ATOM 0 HD3 LYS B 47 9.691 3.694 11.829 1.00 0.00 H new ATOM 0 HE2 LYS B 47 7.621 3.543 12.739 1.00 0.00 H new ATOM 0 HE3 LYS B 47 6.832 4.016 11.247 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 6.226 1.774 11.886 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 7.089 1.745 10.424 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 7.853 1.288 11.869 1.00 0.00 H new ATOM 2077 N ILE B 48 11.143 7.237 7.222 1.00 0.00 N ATOM 2078 CA ILE B 48 12.288 7.806 6.518 1.00 0.00 C ATOM 2079 C ILE B 48 13.149 8.627 7.475 1.00 0.00 C ATOM 2080 O ILE B 48 12.665 9.566 8.109 1.00 0.00 O ATOM 2081 CB ILE B 48 11.851 8.700 5.336 1.00 0.00 C ATOM 2082 CG1 ILE B 48 10.811 7.981 4.470 1.00 0.00 C ATOM 2083 CG2 ILE B 48 13.056 9.104 4.496 1.00 0.00 C ATOM 2084 CD1 ILE B 48 10.132 8.884 3.464 1.00 0.00 C ATOM 0 H ILE B 48 10.687 7.881 7.869 1.00 0.00 H new ATOM 0 HA ILE B 48 12.867 6.971 6.123 1.00 0.00 H new ATOM 0 HB ILE B 48 11.395 9.603 5.742 1.00 0.00 H new ATOM 0 HG12 ILE B 48 11.296 7.161 3.940 1.00 0.00 H new ATOM 0 HG13 ILE B 48 10.054 7.539 5.118 1.00 0.00 H new ATOM 0 HG21 ILE B 48 12.728 9.733 3.668 1.00 0.00 H new ATOM 0 HG22 ILE B 48 13.762 9.657 5.115 1.00 0.00 H new ATOM 0 HG23 ILE B 48 13.541 8.211 4.103 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.409 8.307 2.887 1.00 0.00 H new ATOM 0 HD12 ILE B 48 9.618 9.690 3.987 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.879 9.306 2.792 1.00 0.00 H new ATOM 2096 N ASN B 49 14.427 8.257 7.579 1.00 0.00 N ATOM 2097 CA ASN B 49 15.370 8.942 8.463 1.00 0.00 C ATOM 2098 C ASN B 49 14.889 8.909 9.918 1.00 0.00 C ATOM 2099 O ASN B 49 15.097 9.862 10.673 1.00 0.00 O ATOM 2100 CB ASN B 49 15.587 10.391 8.006 1.00 0.00 C ATOM 2101 CG ASN B 49 17.060 10.748 7.916 1.00 0.00 C ATOM 2102 OD1 ASN B 49 17.794 10.646 8.899 1.00 0.00 O ATOM 2103 ND2 ASN B 49 17.503 11.169 6.735 1.00 0.00 N ATOM 0 H ASN B 49 14.834 7.481 7.057 1.00 0.00 H new ATOM 0 HA ASN B 49 16.321 8.413 8.408 1.00 0.00 H new ATOM 0 HB2 ASN B 49 15.119 10.537 7.033 1.00 0.00 H new ATOM 0 HB3 ASN B 49 15.092 11.068 8.702 1.00 0.00 H new ATOM 0 HD21 ASN B 49 18.484 11.422 6.619 1.00 0.00 H new ATOM 0 HD22 ASN B 49 16.861 11.239 5.945 1.00 0.00 H new ATOM 2110 N GLY B 50 14.244 7.806 10.305 1.00 0.00 N ATOM 2111 CA GLY B 50 13.746 7.673 11.664 1.00 0.00 C ATOM 2112 C GLY B 50 12.485 8.486 11.911 1.00 0.00 C ATOM 2113 O GLY B 50 12.236 8.925 13.034 1.00 0.00 O ATOM 0 H GLY B 50 14.059 7.005 9.701 1.00 0.00 H new ATOM 0 HA2 GLY B 50 13.542 6.622 11.870 1.00 0.00 H new ATOM 0 HA3 GLY B 50 14.520 7.990 12.363 1.00 0.00 H new ATOM 2117 N THR B 51 11.691 8.693 10.860 1.00 0.00 N ATOM 2118 CA THR B 51 10.452 9.463 10.968 1.00 0.00 C ATOM 2119 C THR B 51 9.354 8.835 10.117 1.00 0.00 C ATOM 2120 O THR B 51 9.566 8.537 8.940 1.00 0.00 O ATOM 2121 CB THR B 51 10.673 10.922 10.538 1.00 0.00 C ATOM 2122 OG1 THR B 51 12.054 11.236 10.473 1.00 0.00 O ATOM 2123 CG2 THR B 51 10.021 11.926 11.465 1.00 0.00 C ATOM 0 H THR B 51 11.884 8.338 9.924 1.00 0.00 H new ATOM 0 HA THR B 51 10.142 9.450 12.013 1.00 0.00 H new ATOM 0 HB THR B 51 10.209 10.997 9.555 1.00 0.00 H new ATOM 0 HG1 THR B 51 12.460 10.772 9.711 1.00 0.00 H new ATOM 0 HG21 THR B 51 10.216 12.936 11.103 1.00 0.00 H new ATOM 0 HG22 THR B 51 8.945 11.752 11.492 1.00 0.00 H new ATOM 0 HG23 THR B 51 10.431 11.815 12.469 1.00 0.00 H new ATOM 2131 N VAL B 52 8.180 8.643 10.716 1.00 0.00 N ATOM 2132 CA VAL B 52 7.042 8.056 10.011 1.00 0.00 C ATOM 2133 C VAL B 52 6.536 9.002 8.925 1.00 0.00 C ATOM 2134 O VAL B 52 6.484 10.215 9.129 1.00 0.00 O ATOM 2135 CB VAL B 52 5.873 7.728 10.970 1.00 0.00 C ATOM 2136 CG1 VAL B 52 4.813 6.896 10.262 1.00 0.00 C ATOM 2137 CG2 VAL B 52 6.377 7.007 12.214 1.00 0.00 C ATOM 0 H VAL B 52 7.992 8.886 11.689 1.00 0.00 H new ATOM 0 HA VAL B 52 7.396 7.128 9.563 1.00 0.00 H new ATOM 0 HB VAL B 52 5.419 8.668 11.283 1.00 0.00 H new ATOM 0 HG11 VAL B 52 4.000 6.677 10.954 1.00 0.00 H new ATOM 0 HG12 VAL B 52 4.423 7.452 9.410 1.00 0.00 H new ATOM 0 HG13 VAL B 52 5.255 5.962 9.914 1.00 0.00 H new ATOM 0 HG21 VAL B 52 5.537 6.787 12.873 1.00 0.00 H new ATOM 0 HG22 VAL B 52 6.863 6.076 11.923 1.00 0.00 H new ATOM 0 HG23 VAL B 52 7.092 7.641 12.738 1.00 0.00 H new ATOM 2147 N THR B 53 6.164 8.442 7.775 1.00 0.00 N ATOM 2148 CA THR B 53 5.659 9.244 6.661 1.00 0.00 C ATOM 2149 C THR B 53 4.222 8.862 6.304 1.00 0.00 C ATOM 2150 O THR B 53 3.788 9.049 5.167 1.00 0.00 O ATOM 2151 CB THR B 53 6.573 9.096 5.433 1.00 0.00 C ATOM 2152 OG1 THR B 53 7.451 7.986 5.574 1.00 0.00 O ATOM 2153 CG2 THR B 53 7.419 10.323 5.168 1.00 0.00 C ATOM 0 H THR B 53 6.202 7.440 7.590 1.00 0.00 H new ATOM 0 HA THR B 53 5.659 10.287 6.976 1.00 0.00 H new ATOM 0 HB THR B 53 5.896 8.949 4.592 1.00 0.00 H new ATOM 0 HG1 THR B 53 7.904 7.817 4.722 1.00 0.00 H new ATOM 0 HG21 THR B 53 8.041 10.153 4.289 1.00 0.00 H new ATOM 0 HG22 THR B 53 6.770 11.181 4.994 1.00 0.00 H new ATOM 0 HG23 THR B 53 8.056 10.519 6.030 1.00 0.00 H new ATOM 2161 N GLU B 54 3.474 8.346 7.284 1.00 0.00 N ATOM 2162 CA GLU B 54 2.087 7.963 7.061 1.00 0.00 C ATOM 2163 C GLU B 54 1.162 9.150 7.302 1.00 0.00 C ATOM 2164 O GLU B 54 1.475 10.042 8.092 1.00 0.00 O ATOM 2165 CB GLU B 54 1.689 6.804 7.973 1.00 0.00 C ATOM 2166 CG GLU B 54 1.048 5.640 7.237 1.00 0.00 C ATOM 2167 CD GLU B 54 1.634 4.303 7.645 1.00 0.00 C ATOM 2168 OE1 GLU B 54 2.766 3.993 7.217 1.00 0.00 O ATOM 2169 OE2 GLU B 54 0.961 3.565 8.394 1.00 0.00 O ATOM 0 H GLU B 54 3.809 8.186 8.234 1.00 0.00 H new ATOM 0 HA GLU B 54 1.990 7.640 6.025 1.00 0.00 H new ATOM 0 HB2 GLU B 54 2.574 6.447 8.499 1.00 0.00 H new ATOM 0 HB3 GLU B 54 0.995 7.170 8.730 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -0.025 5.638 7.431 1.00 0.00 H new ATOM 0 HG3 GLU B 54 1.177 5.777 6.163 1.00 0.00 H new ATOM 2176 N ASN B 55 0.030 9.148 6.602 1.00 0.00 N ATOM 2177 CA ASN B 55 -0.972 10.214 6.702 1.00 0.00 C ATOM 2178 C ASN B 55 -0.366 11.613 6.507 1.00 0.00 C ATOM 2179 O ASN B 55 -0.999 12.618 6.839 1.00 0.00 O ATOM 2180 CB ASN B 55 -1.728 10.129 8.040 1.00 0.00 C ATOM 2181 CG ASN B 55 -0.966 10.727 9.213 1.00 0.00 C ATOM 2182 OD1 ASN B 55 -0.413 9.868 10.062 1.00 0.00 O flip ATOM 2183 ND2 ASN B 55 -0.884 11.945 9.362 1.00 0.00 N flip ATOM 0 H ASN B 55 -0.222 8.407 5.947 1.00 0.00 H new ATOM 0 HA ASN B 55 -1.680 10.059 5.888 1.00 0.00 H new ATOM 0 HB2 ASN B 55 -2.684 10.642 7.940 1.00 0.00 H new ATOM 0 HB3 ASN B 55 -1.949 9.084 8.257 1.00 0.00 H new ATOM 0 HD21 ASN B 55 -1.323 12.572 8.688 1.00 0.00 H new ATOM 0 HD22 ASN B 55 -0.377 12.328 10.160 1.00 0.00 H new ATOM 2190 N MET B 56 0.851 11.677 5.959 1.00 0.00 N ATOM 2191 CA MET B 56 1.519 12.950 5.720 1.00 0.00 C ATOM 2192 C MET B 56 1.362 13.377 4.264 1.00 0.00 C ATOM 2193 O MET B 56 1.043 12.560 3.398 1.00 0.00 O ATOM 2194 CB MET B 56 3.004 12.840 6.076 1.00 0.00 C ATOM 2195 CG MET B 56 3.494 13.930 7.015 1.00 0.00 C ATOM 2196 SD MET B 56 4.901 13.404 8.015 1.00 0.00 S ATOM 2197 CE MET B 56 4.207 11.993 8.875 1.00 0.00 C ATOM 0 H MET B 56 1.390 10.859 5.674 1.00 0.00 H new ATOM 0 HA MET B 56 1.055 13.706 6.354 1.00 0.00 H new ATOM 0 HB2 MET B 56 3.186 11.869 6.536 1.00 0.00 H new ATOM 0 HB3 MET B 56 3.591 12.874 5.158 1.00 0.00 H new ATOM 0 HG2 MET B 56 3.775 14.807 6.432 1.00 0.00 H new ATOM 0 HG3 MET B 56 2.679 14.232 7.672 1.00 0.00 H new ATOM 0 HE1 MET B 56 4.790 11.791 9.773 1.00 0.00 H new ATOM 0 HE2 MET B 56 3.175 12.208 9.153 1.00 0.00 H new ATOM 0 HE3 MET B 56 4.233 11.120 8.222 1.00 0.00 H new ATOM 2207 N SER B 57 1.593 14.660 3.996 1.00 0.00 N ATOM 2208 CA SER B 57 1.482 15.191 2.642 1.00 0.00 C ATOM 2209 C SER B 57 2.641 14.703 1.776 1.00 0.00 C ATOM 2210 O SER B 57 3.761 14.536 2.261 1.00 0.00 O ATOM 2211 CB SER B 57 1.448 16.722 2.671 1.00 0.00 C ATOM 2212 OG SER B 57 1.496 17.266 1.360 1.00 0.00 O ATOM 0 H SER B 57 1.858 15.350 4.699 1.00 0.00 H new ATOM 0 HA SER B 57 0.551 14.829 2.207 1.00 0.00 H new ATOM 0 HB2 SER B 57 0.541 17.058 3.173 1.00 0.00 H new ATOM 0 HB3 SER B 57 2.291 17.095 3.253 1.00 0.00 H new ATOM 0 HG SER B 57 0.585 17.449 1.048 1.00 0.00 H new ATOM 2218 N LEU B 58 2.366 14.481 0.489 1.00 0.00 N ATOM 2219 CA LEU B 58 3.390 14.019 -0.448 1.00 0.00 C ATOM 2220 C LEU B 58 4.576 14.982 -0.478 1.00 0.00 C ATOM 2221 O LEU B 58 5.718 14.566 -0.684 1.00 0.00 O ATOM 2222 CB LEU B 58 2.802 13.876 -1.855 1.00 0.00 C ATOM 2223 CG LEU B 58 3.756 13.301 -2.909 1.00 0.00 C ATOM 2224 CD1 LEU B 58 4.229 11.911 -2.507 1.00 0.00 C ATOM 2225 CD2 LEU B 58 3.081 13.260 -4.271 1.00 0.00 C ATOM 0 H LEU B 58 1.444 14.614 0.073 1.00 0.00 H new ATOM 0 HA LEU B 58 3.742 13.045 -0.108 1.00 0.00 H new ATOM 0 HB2 LEU B 58 1.921 13.237 -1.799 1.00 0.00 H new ATOM 0 HB3 LEU B 58 2.464 14.856 -2.191 1.00 0.00 H new ATOM 0 HG LEU B 58 4.627 13.953 -2.973 1.00 0.00 H new ATOM 0 HD11 LEU B 58 4.905 11.522 -3.269 1.00 0.00 H new ATOM 0 HD12 LEU B 58 4.752 11.967 -1.552 1.00 0.00 H new ATOM 0 HD13 LEU B 58 3.369 11.248 -2.412 1.00 0.00 H new ATOM 0 HD21 LEU B 58 3.772 12.849 -5.007 1.00 0.00 H new ATOM 0 HD22 LEU B 58 2.192 12.632 -4.218 1.00 0.00 H new ATOM 0 HD23 LEU B 58 2.795 14.270 -4.566 1.00 0.00 H new ATOM 2237 N THR B 59 4.295 16.269 -0.266 1.00 0.00 N ATOM 2238 CA THR B 59 5.338 17.294 -0.260 1.00 0.00 C ATOM 2239 C THR B 59 6.342 17.032 0.861 1.00 0.00 C ATOM 2240 O THR B 59 7.544 17.224 0.683 1.00 0.00 O ATOM 2241 CB THR B 59 4.728 18.692 -0.095 1.00 0.00 C ATOM 2242 OG1 THR B 59 3.365 18.708 -0.489 1.00 0.00 O ATOM 2243 CG2 THR B 59 5.449 19.761 -0.891 1.00 0.00 C ATOM 0 H THR B 59 3.354 16.625 -0.096 1.00 0.00 H new ATOM 0 HA THR B 59 5.857 17.250 -1.218 1.00 0.00 H new ATOM 0 HB THR B 59 4.830 18.919 0.966 1.00 0.00 H new ATOM 0 HG1 THR B 59 2.810 18.358 0.239 1.00 0.00 H new ATOM 0 HG21 THR B 59 4.965 20.724 -0.728 1.00 0.00 H new ATOM 0 HG22 THR B 59 6.488 19.817 -0.567 1.00 0.00 H new ATOM 0 HG23 THR B 59 5.413 19.512 -1.951 1.00 0.00 H new ATOM 2251 N ASP B 60 5.837 16.583 2.012 1.00 0.00 N ATOM 2252 CA ASP B 60 6.689 16.283 3.161 1.00 0.00 C ATOM 2253 C ASP B 60 7.732 15.227 2.799 1.00 0.00 C ATOM 2254 O ASP B 60 8.910 15.368 3.134 1.00 0.00 O ATOM 2255 CB ASP B 60 5.843 15.798 4.340 1.00 0.00 C ATOM 2256 CG ASP B 60 6.649 15.686 5.620 1.00 0.00 C ATOM 2257 OD1 ASP B 60 6.737 16.692 6.354 1.00 0.00 O ATOM 2258 OD2 ASP B 60 7.195 14.595 5.885 1.00 0.00 O ATOM 0 H ASP B 60 4.843 16.420 2.172 1.00 0.00 H new ATOM 0 HA ASP B 60 7.206 17.199 3.449 1.00 0.00 H new ATOM 0 HB2 ASP B 60 5.012 16.486 4.496 1.00 0.00 H new ATOM 0 HB3 ASP B 60 5.411 14.827 4.099 1.00 0.00 H new ATOM 2263 N ALA B 61 7.292 14.175 2.105 1.00 0.00 N ATOM 2264 CA ALA B 61 8.193 13.100 1.688 1.00 0.00 C ATOM 2265 C ALA B 61 9.354 13.656 0.867 1.00 0.00 C ATOM 2266 O ALA B 61 10.495 13.214 1.009 1.00 0.00 O ATOM 2267 CB ALA B 61 7.438 12.043 0.891 1.00 0.00 C ATOM 0 H ALA B 61 6.321 14.045 1.821 1.00 0.00 H new ATOM 0 HA ALA B 61 8.598 12.632 2.585 1.00 0.00 H new ATOM 0 HB1 ALA B 61 8.126 11.253 0.591 1.00 0.00 H new ATOM 0 HB2 ALA B 61 6.646 11.619 1.508 1.00 0.00 H new ATOM 0 HB3 ALA B 61 7.001 12.500 0.003 1.00 0.00 H new ATOM 2273 N LYS B 62 9.052 14.640 0.020 1.00 0.00 N ATOM 2274 CA LYS B 62 10.065 15.277 -0.818 1.00 0.00 C ATOM 2275 C LYS B 62 11.082 16.023 0.044 1.00 0.00 C ATOM 2276 O LYS B 62 12.285 15.972 -0.217 1.00 0.00 O ATOM 2277 CB LYS B 62 9.409 16.247 -1.809 1.00 0.00 C ATOM 2278 CG LYS B 62 8.258 15.635 -2.594 1.00 0.00 C ATOM 2279 CD LYS B 62 8.039 16.348 -3.919 1.00 0.00 C ATOM 2280 CE LYS B 62 8.964 15.811 -5.002 1.00 0.00 C ATOM 2281 NZ LYS B 62 8.545 14.462 -5.478 1.00 0.00 N ATOM 0 H LYS B 62 8.111 15.013 -0.103 1.00 0.00 H new ATOM 0 HA LYS B 62 10.583 14.498 -1.378 1.00 0.00 H new ATOM 0 HB2 LYS B 62 9.043 17.117 -1.264 1.00 0.00 H new ATOM 0 HB3 LYS B 62 10.165 16.604 -2.509 1.00 0.00 H new ATOM 0 HG2 LYS B 62 8.463 14.580 -2.778 1.00 0.00 H new ATOM 0 HG3 LYS B 62 7.346 15.683 -2.000 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.002 16.226 -4.232 1.00 0.00 H new ATOM 0 HD3 LYS B 62 8.210 17.417 -3.791 1.00 0.00 H new ATOM 0 HE2 LYS B 62 8.977 16.504 -5.843 1.00 0.00 H new ATOM 0 HE3 LYS B 62 9.982 15.759 -4.616 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 9.056 14.228 -6.353 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 8.764 13.753 -4.749 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 7.522 14.462 -5.664 1.00 0.00 H new ATOM 2295 N THR B 63 10.588 16.709 1.076 1.00 0.00 N ATOM 2296 CA THR B 63 11.447 17.462 1.986 1.00 0.00 C ATOM 2297 C THR B 63 12.439 16.543 2.695 1.00 0.00 C ATOM 2298 O THR B 63 13.608 16.892 2.854 1.00 0.00 O ATOM 2299 CB THR B 63 10.611 18.204 3.028 1.00 0.00 C ATOM 2300 OG1 THR B 63 9.275 18.367 2.590 1.00 0.00 O ATOM 2301 CG2 THR B 63 11.150 19.577 3.365 1.00 0.00 C ATOM 0 H THR B 63 9.594 16.757 1.301 1.00 0.00 H new ATOM 0 HA THR B 63 12.002 18.185 1.388 1.00 0.00 H new ATOM 0 HB THR B 63 10.658 17.580 3.921 1.00 0.00 H new ATOM 0 HG1 THR B 63 8.762 18.843 3.276 1.00 0.00 H new ATOM 0 HG21 THR B 63 10.508 20.047 4.110 1.00 0.00 H new ATOM 0 HG22 THR B 63 12.160 19.484 3.763 1.00 0.00 H new ATOM 0 HG23 THR B 63 11.170 20.191 2.465 1.00 0.00 H new ATOM 2309 N LEU B 64 11.969 15.367 3.123 1.00 0.00 N ATOM 2310 CA LEU B 64 12.830 14.404 3.813 1.00 0.00 C ATOM 2311 C LEU B 64 14.074 14.100 2.980 1.00 0.00 C ATOM 2312 O LEU B 64 15.177 13.984 3.515 1.00 0.00 O ATOM 2313 CB LEU B 64 12.068 13.107 4.110 1.00 0.00 C ATOM 2314 CG LEU B 64 11.444 13.026 5.505 1.00 0.00 C ATOM 2315 CD1 LEU B 64 10.124 12.272 5.458 1.00 0.00 C ATOM 2316 CD2 LEU B 64 12.405 12.362 6.483 1.00 0.00 C ATOM 0 H LEU B 64 11.003 15.061 3.004 1.00 0.00 H new ATOM 0 HA LEU B 64 13.141 14.849 4.758 1.00 0.00 H new ATOM 0 HB2 LEU B 64 11.278 12.990 3.368 1.00 0.00 H new ATOM 0 HB3 LEU B 64 12.750 12.266 3.985 1.00 0.00 H new ATOM 0 HG LEU B 64 11.247 14.040 5.852 1.00 0.00 H new ATOM 0 HD11 LEU B 64 9.696 12.225 6.459 1.00 0.00 H new ATOM 0 HD12 LEU B 64 9.433 12.789 4.792 1.00 0.00 H new ATOM 0 HD13 LEU B 64 10.296 11.261 5.089 1.00 0.00 H new ATOM 0 HD21 LEU B 64 11.944 12.313 7.470 1.00 0.00 H new ATOM 0 HD22 LEU B 64 12.634 11.353 6.139 1.00 0.00 H new ATOM 0 HD23 LEU B 64 13.325 12.944 6.541 1.00 0.00 H new ATOM 2328 N ILE B 65 13.887 13.985 1.667 1.00 0.00 N ATOM 2329 CA ILE B 65 14.994 13.710 0.758 1.00 0.00 C ATOM 2330 C ILE B 65 15.833 14.967 0.525 1.00 0.00 C ATOM 2331 O ILE B 65 17.047 14.880 0.333 1.00 0.00 O ATOM 2332 CB ILE B 65 14.498 13.170 -0.599 1.00 0.00 C ATOM 2333 CG1 ILE B 65 13.506 12.020 -0.388 1.00 0.00 C ATOM 2334 CG2 ILE B 65 15.677 12.712 -1.447 1.00 0.00 C ATOM 2335 CD1 ILE B 65 12.830 11.555 -1.660 1.00 0.00 C ATOM 0 H ILE B 65 12.980 14.078 1.210 1.00 0.00 H new ATOM 0 HA ILE B 65 15.610 12.945 1.231 1.00 0.00 H new ATOM 0 HB ILE B 65 13.984 13.973 -1.127 1.00 0.00 H new ATOM 0 HG12 ILE B 65 14.031 11.178 0.062 1.00 0.00 H new ATOM 0 HG13 ILE B 65 12.743 12.337 0.323 1.00 0.00 H new ATOM 0 HG21 ILE B 65 15.313 12.333 -2.402 1.00 0.00 H new ATOM 0 HG22 ILE B 65 16.348 13.553 -1.622 1.00 0.00 H new ATOM 0 HG23 ILE B 65 16.216 11.921 -0.925 1.00 0.00 H new ATOM 0 HD11 ILE B 65 12.143 10.740 -1.430 1.00 0.00 H new ATOM 0 HD12 ILE B 65 12.275 12.383 -2.101 1.00 0.00 H new ATOM 0 HD13 ILE B 65 13.584 11.206 -2.366 1.00 0.00 H new ATOM 2347 N GLU B 66 15.184 16.134 0.550 1.00 0.00 N ATOM 2348 CA GLU B 66 15.883 17.402 0.346 1.00 0.00 C ATOM 2349 C GLU B 66 16.705 17.771 1.581 1.00 0.00 C ATOM 2350 O GLU B 66 17.817 18.287 1.467 1.00 0.00 O ATOM 2351 CB GLU B 66 14.885 18.518 0.026 1.00 0.00 C ATOM 2352 CG GLU B 66 14.507 18.600 -1.448 1.00 0.00 C ATOM 2353 CD GLU B 66 13.204 19.343 -1.678 1.00 0.00 C ATOM 2354 OE1 GLU B 66 12.159 18.881 -1.173 1.00 0.00 O ATOM 2355 OE2 GLU B 66 13.230 20.387 -2.363 1.00 0.00 O ATOM 0 H GLU B 66 14.181 16.226 0.709 1.00 0.00 H new ATOM 0 HA GLU B 66 16.561 17.284 -0.499 1.00 0.00 H new ATOM 0 HB2 GLU B 66 13.981 18.365 0.615 1.00 0.00 H new ATOM 0 HB3 GLU B 66 15.310 19.473 0.336 1.00 0.00 H new ATOM 0 HG2 GLU B 66 15.306 19.098 -1.997 1.00 0.00 H new ATOM 0 HG3 GLU B 66 14.422 17.592 -1.854 1.00 0.00 H new ATOM 2362 N ARG B 67 16.148 17.498 2.762 1.00 0.00 N ATOM 2363 CA ARG B 67 16.824 17.796 4.023 1.00 0.00 C ATOM 2364 C ARG B 67 17.971 16.817 4.298 1.00 0.00 C ATOM 2365 O ARG B 67 18.874 17.122 5.077 1.00 0.00 O ATOM 2366 CB ARG B 67 15.822 17.766 5.183 1.00 0.00 C ATOM 2367 CG ARG B 67 16.015 18.895 6.185 1.00 0.00 C ATOM 2368 CD ARG B 67 15.038 20.035 5.939 1.00 0.00 C ATOM 2369 NE ARG B 67 15.335 21.204 6.766 1.00 0.00 N ATOM 2370 CZ ARG B 67 15.003 21.316 8.056 1.00 0.00 C ATOM 2371 NH1 ARG B 67 14.375 20.321 8.681 1.00 0.00 N ATOM 2372 NH2 ARG B 67 15.302 22.426 8.723 1.00 0.00 N ATOM 0 H ARG B 67 15.228 17.070 2.870 1.00 0.00 H new ATOM 0 HA ARG B 67 17.250 18.796 3.938 1.00 0.00 H new ATOM 0 HB2 ARG B 67 14.811 17.818 4.780 1.00 0.00 H new ATOM 0 HB3 ARG B 67 15.909 16.812 5.702 1.00 0.00 H new ATOM 0 HG2 ARG B 67 15.880 18.512 7.196 1.00 0.00 H new ATOM 0 HG3 ARG B 67 17.036 19.270 6.119 1.00 0.00 H new ATOM 0 HD2 ARG B 67 15.070 20.318 4.887 1.00 0.00 H new ATOM 0 HD3 ARG B 67 14.024 19.693 6.146 1.00 0.00 H new ATOM 0 HE ARG B 67 15.827 21.984 6.330 1.00 0.00 H new ATOM 0 HH11 ARG B 67 14.144 19.466 8.175 1.00 0.00 H new ATOM 0 HH12 ARG B 67 14.125 20.414 9.666 1.00 0.00 H new ATOM 0 HH21 ARG B 67 15.784 23.191 8.251 1.00 0.00 H new ATOM 0 HH22 ARG B 67 15.049 22.513 9.707 1.00 0.00 H new ATOM 2386 N SER B 68 17.933 15.641 3.661 1.00 0.00 N ATOM 2387 CA SER B 68 18.974 14.632 3.854 1.00 0.00 C ATOM 2388 C SER B 68 20.359 15.200 3.543 1.00 0.00 C ATOM 2389 O SER B 68 20.648 15.588 2.409 1.00 0.00 O ATOM 2390 CB SER B 68 18.699 13.400 2.985 1.00 0.00 C ATOM 2391 OG SER B 68 19.025 13.637 1.625 1.00 0.00 O ATOM 0 H SER B 68 17.196 15.368 3.011 1.00 0.00 H new ATOM 0 HA SER B 68 18.957 14.333 4.902 1.00 0.00 H new ATOM 0 HB2 SER B 68 19.279 12.555 3.357 1.00 0.00 H new ATOM 0 HB3 SER B 68 17.647 13.125 3.065 1.00 0.00 H new ATOM 0 HG SER B 68 18.223 13.929 1.142 1.00 0.00 H new ATOM 2397 N LYS B 69 21.208 15.252 4.567 1.00 0.00 N ATOM 2398 CA LYS B 69 22.566 15.775 4.427 1.00 0.00 C ATOM 2399 C LYS B 69 23.417 14.895 3.511 1.00 0.00 C ATOM 2400 O LYS B 69 24.112 15.402 2.630 1.00 0.00 O ATOM 2401 CB LYS B 69 23.230 15.895 5.803 1.00 0.00 C ATOM 2402 CG LYS B 69 23.181 17.301 6.379 1.00 0.00 C ATOM 2403 CD LYS B 69 22.342 17.360 7.645 1.00 0.00 C ATOM 2404 CE LYS B 69 20.857 17.235 7.339 1.00 0.00 C ATOM 2405 NZ LYS B 69 20.015 17.616 8.506 1.00 0.00 N ATOM 0 H LYS B 69 20.978 14.936 5.509 1.00 0.00 H new ATOM 0 HA LYS B 69 22.496 16.763 3.971 1.00 0.00 H new ATOM 0 HB2 LYS B 69 22.740 15.210 6.495 1.00 0.00 H new ATOM 0 HB3 LYS B 69 24.270 15.579 5.725 1.00 0.00 H new ATOM 0 HG2 LYS B 69 24.194 17.641 6.597 1.00 0.00 H new ATOM 0 HG3 LYS B 69 22.769 17.984 5.637 1.00 0.00 H new ATOM 0 HD2 LYS B 69 22.644 16.559 8.320 1.00 0.00 H new ATOM 0 HD3 LYS B 69 22.529 18.301 8.163 1.00 0.00 H new ATOM 0 HE2 LYS B 69 20.607 17.869 6.489 1.00 0.00 H new ATOM 0 HE3 LYS B 69 20.631 16.209 7.048 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 19.010 17.517 8.256 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 20.235 16.994 9.310 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 20.211 18.603 8.768 1.00 0.00 H new ATOM 2419 N GLY B 70 23.366 13.581 3.727 1.00 0.00 N ATOM 2420 CA GLY B 70 24.145 12.664 2.912 1.00 0.00 C ATOM 2421 C GLY B 70 23.619 11.245 2.968 1.00 0.00 C ATOM 2422 O GLY B 70 23.240 10.674 1.946 1.00 0.00 O ATOM 0 H GLY B 70 22.800 13.137 4.450 1.00 0.00 H new ATOM 0 HA2 GLY B 70 24.140 13.009 1.878 1.00 0.00 H new ATOM 0 HA3 GLY B 70 25.182 12.677 3.247 1.00 0.00 H new ATOM 2426 N LYS B 71 23.600 10.679 4.169 1.00 0.00 N ATOM 2427 CA LYS B 71 23.117 9.316 4.371 1.00 0.00 C ATOM 2428 C LYS B 71 21.605 9.300 4.593 1.00 0.00 C ATOM 2429 O LYS B 71 21.109 9.817 5.595 1.00 0.00 O ATOM 2430 CB LYS B 71 23.835 8.672 5.562 1.00 0.00 C ATOM 2431 CG LYS B 71 23.504 7.200 5.758 1.00 0.00 C ATOM 2432 CD LYS B 71 24.764 6.364 5.926 1.00 0.00 C ATOM 2433 CE LYS B 71 24.548 5.224 6.908 1.00 0.00 C ATOM 2434 NZ LYS B 71 25.188 3.961 6.446 1.00 0.00 N ATOM 0 H LYS B 71 23.914 11.144 5.021 1.00 0.00 H new ATOM 0 HA LYS B 71 23.335 8.739 3.472 1.00 0.00 H new ATOM 0 HB2 LYS B 71 24.911 8.777 5.425 1.00 0.00 H new ATOM 0 HB3 LYS B 71 23.574 9.217 6.469 1.00 0.00 H new ATOM 0 HG2 LYS B 71 22.868 7.082 6.635 1.00 0.00 H new ATOM 0 HG3 LYS B 71 22.936 6.836 4.902 1.00 0.00 H new ATOM 0 HD2 LYS B 71 25.066 5.961 4.959 1.00 0.00 H new ATOM 0 HD3 LYS B 71 25.579 6.998 6.276 1.00 0.00 H new ATOM 0 HE2 LYS B 71 24.954 5.502 7.881 1.00 0.00 H new ATOM 0 HE3 LYS B 71 23.479 5.060 7.044 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 25.017 3.209 7.144 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 24.783 3.681 5.530 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 26.212 4.109 6.341 1.00 0.00 H new ATOM 2448 N LEU B 72 20.878 8.702 3.650 1.00 0.00 N ATOM 2449 CA LEU B 72 19.423 8.615 3.736 1.00 0.00 C ATOM 2450 C LEU B 72 18.984 7.230 4.206 1.00 0.00 C ATOM 2451 O LEU B 72 19.583 6.220 3.835 1.00 0.00 O ATOM 2452 CB LEU B 72 18.790 8.924 2.374 1.00 0.00 C ATOM 2453 CG LEU B 72 17.721 10.022 2.378 1.00 0.00 C ATOM 2454 CD1 LEU B 72 17.161 10.229 0.976 1.00 0.00 C ATOM 2455 CD2 LEU B 72 16.602 9.680 3.349 1.00 0.00 C ATOM 0 H LEU B 72 21.275 8.270 2.816 1.00 0.00 H new ATOM 0 HA LEU B 72 19.085 9.352 4.465 1.00 0.00 H new ATOM 0 HB2 LEU B 72 19.581 9.214 1.682 1.00 0.00 H new ATOM 0 HB3 LEU B 72 18.345 8.009 1.984 1.00 0.00 H new ATOM 0 HG LEU B 72 18.189 10.950 2.705 1.00 0.00 H new ATOM 0 HD11 LEU B 72 16.403 11.012 0.999 1.00 0.00 H new ATOM 0 HD12 LEU B 72 17.966 10.522 0.302 1.00 0.00 H new ATOM 0 HD13 LEU B 72 16.712 9.301 0.623 1.00 0.00 H new ATOM 0 HD21 LEU B 72 15.854 10.473 3.336 1.00 0.00 H new ATOM 0 HD22 LEU B 72 16.139 8.739 3.053 1.00 0.00 H new ATOM 0 HD23 LEU B 72 17.010 9.583 4.355 1.00 0.00 H new ATOM 2467 N LYS B 73 17.928 7.190 5.018 1.00 0.00 N ATOM 2468 CA LYS B 73 17.399 5.931 5.530 1.00 0.00 C ATOM 2469 C LYS B 73 15.909 5.806 5.217 1.00 0.00 C ATOM 2470 O LYS B 73 15.114 6.663 5.601 1.00 0.00 O ATOM 2471 CB LYS B 73 17.630 5.830 7.041 1.00 0.00 C ATOM 2472 CG LYS B 73 18.939 5.152 7.414 1.00 0.00 C ATOM 2473 CD LYS B 73 18.770 4.222 8.605 1.00 0.00 C ATOM 2474 CE LYS B 73 20.059 4.096 9.402 1.00 0.00 C ATOM 2475 NZ LYS B 73 20.128 2.810 10.151 1.00 0.00 N ATOM 0 H LYS B 73 17.423 8.018 5.334 1.00 0.00 H new ATOM 0 HA LYS B 73 17.927 5.114 5.038 1.00 0.00 H new ATOM 0 HB2 LYS B 73 17.615 6.832 7.470 1.00 0.00 H new ATOM 0 HB3 LYS B 73 16.804 5.278 7.490 1.00 0.00 H new ATOM 0 HG2 LYS B 73 19.312 4.586 6.560 1.00 0.00 H new ATOM 0 HG3 LYS B 73 19.688 5.909 7.647 1.00 0.00 H new ATOM 0 HD2 LYS B 73 17.977 4.598 9.251 1.00 0.00 H new ATOM 0 HD3 LYS B 73 18.458 3.237 8.257 1.00 0.00 H new ATOM 0 HE2 LYS B 73 20.911 4.168 8.727 1.00 0.00 H new ATOM 0 HE3 LYS B 73 20.135 4.928 10.102 1.00 0.00 H new ATOM 0 HZ1 LYS B 73 20.962 2.814 10.772 1.00 0.00 H new ATOM 0 HZ2 LYS B 73 19.269 2.697 10.726 1.00 0.00 H new ATOM 0 HZ3 LYS B 73 20.201 2.020 9.478 1.00 0.00 H new ATOM 2489 N MET B 74 15.539 4.738 4.514 1.00 0.00 N ATOM 2490 CA MET B 74 14.146 4.502 4.145 1.00 0.00 C ATOM 2491 C MET B 74 13.698 3.106 4.573 1.00 0.00 C ATOM 2492 O MET B 74 14.399 2.123 4.338 1.00 0.00 O ATOM 2493 CB MET B 74 13.962 4.667 2.635 1.00 0.00 C ATOM 2494 CG MET B 74 13.777 6.111 2.194 1.00 0.00 C ATOM 2495 SD MET B 74 14.764 6.529 0.743 1.00 0.00 S ATOM 2496 CE MET B 74 14.428 5.123 -0.315 1.00 0.00 C ATOM 0 H MET B 74 16.187 4.021 4.188 1.00 0.00 H new ATOM 0 HA MET B 74 13.530 5.237 4.663 1.00 0.00 H new ATOM 0 HB2 MET B 74 14.830 4.249 2.125 1.00 0.00 H new ATOM 0 HB3 MET B 74 13.096 4.086 2.318 1.00 0.00 H new ATOM 0 HG2 MET B 74 12.724 6.287 1.975 1.00 0.00 H new ATOM 0 HG3 MET B 74 14.047 6.775 3.015 1.00 0.00 H new ATOM 0 HE1 MET B 74 14.556 5.414 -1.358 1.00 0.00 H new ATOM 0 HE2 MET B 74 15.119 4.315 -0.076 1.00 0.00 H new ATOM 0 HE3 MET B 74 13.404 4.784 -0.156 1.00 0.00 H new ATOM 2506 N VAL B 75 12.529 3.029 5.204 1.00 0.00 N ATOM 2507 CA VAL B 75 11.989 1.755 5.666 1.00 0.00 C ATOM 2508 C VAL B 75 10.816 1.309 4.794 1.00 0.00 C ATOM 2509 O VAL B 75 9.781 1.975 4.745 1.00 0.00 O ATOM 2510 CB VAL B 75 11.523 1.838 7.136 1.00 0.00 C ATOM 2511 CG1 VAL B 75 11.146 0.461 7.660 1.00 0.00 C ATOM 2512 CG2 VAL B 75 12.602 2.471 8.005 1.00 0.00 C ATOM 0 H VAL B 75 11.938 3.835 5.407 1.00 0.00 H new ATOM 0 HA VAL B 75 12.794 1.024 5.592 1.00 0.00 H new ATOM 0 HB VAL B 75 10.636 2.470 7.179 1.00 0.00 H new ATOM 0 HG11 VAL B 75 10.821 0.543 8.697 1.00 0.00 H new ATOM 0 HG12 VAL B 75 10.336 0.051 7.057 1.00 0.00 H new ATOM 0 HG13 VAL B 75 12.011 -0.200 7.602 1.00 0.00 H new ATOM 0 HG21 VAL B 75 12.255 2.521 9.037 1.00 0.00 H new ATOM 0 HG22 VAL B 75 13.509 1.868 7.956 1.00 0.00 H new ATOM 0 HG23 VAL B 75 12.815 3.477 7.645 1.00 0.00 H new ATOM 2522 N VAL B 76 10.989 0.180 4.108 1.00 0.00 N ATOM 2523 CA VAL B 76 9.950 -0.360 3.234 1.00 0.00 C ATOM 2524 C VAL B 76 9.268 -1.573 3.874 1.00 0.00 C ATOM 2525 O VAL B 76 9.892 -2.316 4.635 1.00 0.00 O ATOM 2526 CB VAL B 76 10.533 -0.770 1.863 1.00 0.00 C ATOM 2527 CG1 VAL B 76 9.426 -1.173 0.898 1.00 0.00 C ATOM 2528 CG2 VAL B 76 11.371 0.357 1.276 1.00 0.00 C ATOM 0 H VAL B 76 11.841 -0.379 4.141 1.00 0.00 H new ATOM 0 HA VAL B 76 9.212 0.429 3.086 1.00 0.00 H new ATOM 0 HB VAL B 76 11.179 -1.634 2.017 1.00 0.00 H new ATOM 0 HG11 VAL B 76 9.863 -1.457 -0.059 1.00 0.00 H new ATOM 0 HG12 VAL B 76 8.874 -2.018 1.310 1.00 0.00 H new ATOM 0 HG13 VAL B 76 8.747 -0.333 0.752 1.00 0.00 H new ATOM 0 HG21 VAL B 76 11.772 0.048 0.311 1.00 0.00 H new ATOM 0 HG22 VAL B 76 10.749 1.242 1.143 1.00 0.00 H new ATOM 0 HG23 VAL B 76 12.193 0.590 1.953 1.00 0.00 H new ATOM 2538 N GLN B 77 7.986 -1.764 3.560 1.00 0.00 N ATOM 2539 CA GLN B 77 7.218 -2.884 4.101 1.00 0.00 C ATOM 2540 C GLN B 77 7.256 -4.079 3.150 1.00 0.00 C ATOM 2541 O GLN B 77 6.677 -4.039 2.062 1.00 0.00 O ATOM 2542 CB GLN B 77 5.768 -2.463 4.361 1.00 0.00 C ATOM 2543 CG GLN B 77 5.036 -3.366 5.345 1.00 0.00 C ATOM 2544 CD GLN B 77 4.618 -4.688 4.729 1.00 0.00 C ATOM 2545 OE1 GLN B 77 5.034 -5.754 5.181 1.00 0.00 O ATOM 2546 NE2 GLN B 77 3.795 -4.629 3.686 1.00 0.00 N ATOM 0 H GLN B 77 7.458 -1.157 2.933 1.00 0.00 H new ATOM 0 HA GLN B 77 7.673 -3.181 5.046 1.00 0.00 H new ATOM 0 HB2 GLN B 77 5.758 -1.442 4.742 1.00 0.00 H new ATOM 0 HB3 GLN B 77 5.226 -2.456 3.415 1.00 0.00 H new ATOM 0 HG2 GLN B 77 5.680 -3.558 6.204 1.00 0.00 H new ATOM 0 HG3 GLN B 77 4.152 -2.848 5.718 1.00 0.00 H new ATOM 0 HE21 GLN B 77 3.473 -3.725 3.341 1.00 0.00 H new ATOM 0 HE22 GLN B 77 3.486 -5.488 3.231 1.00 0.00 H new