USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 521 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 32 ASN : amide:sc= -1.95 K(o=-5.9,f=-12!) USER MOD Set 1.2: A 69 MET CE :methyl 150:sc= -3.95! (180deg=-1.68) USER MOD Set 2.1: A 22 ASN : amide:sc= -1.82 K(o=-1.8,f=-2.6) USER MOD Set 2.2: A 24 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 8 SER OG : rot -102:sc= 1.23 USER MOD Set 3.2: A 16 ASN : amide:sc= -0.449 K(o=0.78,f=-8.6!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 30:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.065) USER MOD Single : A 27 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.25) USER MOD Single : A 35 ASN : amide:sc=-0.00114 K(o=-0.0011,f=-1.7!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0655 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 49 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.15) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.183 X(o=-0.18,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.0674 X(o=-0.067,f=-0.067) USER MOD Single : A 73 SER OG : rot -43:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 3.250 -1.395 0.280 1.00 15.31 N ATOM 19 CA LYS A 2 4.290 -2.355 -0.067 1.00 70.42 C ATOM 20 C LYS A 2 3.981 -3.729 0.520 1.00 13.44 C ATOM 21 O LYS A 2 4.396 -4.045 1.635 1.00 34.54 O ATOM 22 CB LYS A 2 5.651 -1.868 0.436 1.00 71.44 C ATOM 23 CG LYS A 2 5.556 -0.868 1.574 1.00 0.14 C ATOM 24 CD LYS A 2 4.970 -1.501 2.825 1.00 10.34 C ATOM 25 CE LYS A 2 4.698 -0.460 3.901 1.00 31.41 C ATOM 26 NZ LYS A 2 3.923 -1.029 5.039 1.00 40.42 N ATOM 0 HA LYS A 2 4.321 -2.442 -1.153 1.00 70.42 H new ATOM 0 HB2 LYS A 2 6.236 -2.727 0.766 1.00 71.44 H new ATOM 0 HB3 LYS A 2 6.193 -1.413 -0.392 1.00 71.44 H new ATOM 0 HG2 LYS A 2 6.547 -0.472 1.795 1.00 0.14 H new ATOM 0 HG3 LYS A 2 4.937 -0.025 1.268 1.00 0.14 H new ATOM 0 HD2 LYS A 2 4.043 -2.017 2.573 1.00 10.34 H new ATOM 0 HD3 LYS A 2 5.659 -2.253 3.210 1.00 10.34 H new ATOM 0 HE2 LYS A 2 5.644 -0.062 4.269 1.00 31.41 H new ATOM 0 HE3 LYS A 2 4.147 0.375 3.468 1.00 31.41 H new ATOM 0 HZ1 LYS A 2 3.758 -0.289 5.751 1.00 40.42 H new ATOM 0 HZ2 LYS A 2 3.010 -1.386 4.693 1.00 40.42 H new ATOM 0 HZ3 LYS A 2 4.460 -1.809 5.469 1.00 40.42 H new ATOM 40 N PHE A 3 3.251 -4.541 -0.237 1.00 52.42 N ATOM 41 CA PHE A 3 2.887 -5.880 0.209 1.00 73.42 C ATOM 42 C PHE A 3 2.836 -6.850 -0.968 1.00 75.22 C ATOM 43 O PHE A 3 2.139 -6.609 -1.955 1.00 21.23 O ATOM 44 CB PHE A 3 1.533 -5.853 0.921 1.00 32.41 C ATOM 45 CG PHE A 3 0.537 -4.929 0.281 1.00 72.43 C ATOM 46 CD1 PHE A 3 0.522 -3.580 0.594 1.00 5.13 C ATOM 47 CD2 PHE A 3 -0.386 -5.410 -0.635 1.00 24.55 C ATOM 48 CE1 PHE A 3 -0.392 -2.727 0.007 1.00 55.34 C ATOM 49 CE2 PHE A 3 -1.303 -4.562 -1.226 1.00 25.12 C ATOM 50 CZ PHE A 3 -1.307 -3.219 -0.904 1.00 2.21 C ATOM 0 H PHE A 3 2.900 -4.295 -1.162 1.00 52.42 H new ATOM 0 HA PHE A 3 3.650 -6.223 0.907 1.00 73.42 H new ATOM 0 HB2 PHE A 3 1.121 -6.862 0.939 1.00 32.41 H new ATOM 0 HB3 PHE A 3 1.683 -5.551 1.958 1.00 32.41 H new ATOM 0 HD1 PHE A 3 1.234 -3.190 1.306 1.00 5.13 H new ATOM 0 HD2 PHE A 3 -0.388 -6.460 -0.890 1.00 24.55 H new ATOM 0 HE1 PHE A 3 -0.392 -1.677 0.260 1.00 55.34 H new ATOM 0 HE2 PHE A 3 -2.016 -4.949 -1.939 1.00 25.12 H new ATOM 0 HZ PHE A 3 -2.024 -2.555 -1.363 1.00 2.21 H new ATOM 60 N ILE A 4 3.578 -7.946 -0.856 1.00 61.35 N ATOM 61 CA ILE A 4 3.617 -8.953 -1.910 1.00 42.43 C ATOM 62 C ILE A 4 3.538 -10.360 -1.329 1.00 72.35 C ATOM 63 O ILE A 4 3.896 -10.589 -0.174 1.00 4.40 O ATOM 64 CB ILE A 4 4.897 -8.831 -2.758 1.00 3.41 C ATOM 65 CG1 ILE A 4 5.121 -7.376 -3.177 1.00 71.20 C ATOM 66 CG2 ILE A 4 4.811 -9.733 -3.980 1.00 43.50 C ATOM 67 CD1 ILE A 4 4.054 -6.845 -4.108 1.00 53.21 C ATOM 0 H ILE A 4 4.160 -8.160 -0.046 1.00 61.35 H new ATOM 0 HA ILE A 4 2.750 -8.776 -2.547 1.00 42.43 H new ATOM 0 HB ILE A 4 5.747 -9.150 -2.154 1.00 3.41 H new ATOM 0 HG12 ILE A 4 5.157 -6.751 -2.285 1.00 71.20 H new ATOM 0 HG13 ILE A 4 6.092 -7.292 -3.665 1.00 71.20 H new ATOM 0 HG21 ILE A 4 5.723 -9.636 -4.569 1.00 43.50 H new ATOM 0 HG22 ILE A 4 4.694 -10.769 -3.660 1.00 43.50 H new ATOM 0 HG23 ILE A 4 3.954 -9.442 -4.587 1.00 43.50 H new ATOM 0 HD11 ILE A 4 4.277 -5.809 -4.363 1.00 53.21 H new ATOM 0 HD12 ILE A 4 4.032 -7.446 -5.017 1.00 53.21 H new ATOM 0 HD13 ILE A 4 3.083 -6.896 -3.616 1.00 53.21 H new ATOM 79 N LYS A 5 3.067 -11.303 -2.139 1.00 51.32 N ATOM 80 CA LYS A 5 2.943 -12.690 -1.708 1.00 73.24 C ATOM 81 C LYS A 5 4.312 -13.355 -1.613 1.00 62.14 C ATOM 82 O LYS A 5 5.322 -12.779 -2.020 1.00 31.42 O ATOM 83 CB LYS A 5 2.052 -13.469 -2.679 1.00 31.22 C ATOM 84 CG LYS A 5 2.734 -13.807 -3.993 1.00 23.20 C ATOM 85 CD LYS A 5 1.736 -14.290 -5.032 1.00 12.51 C ATOM 86 CE LYS A 5 2.132 -13.848 -6.433 1.00 32.34 C ATOM 87 NZ LYS A 5 1.129 -14.268 -7.450 1.00 41.25 N ATOM 0 H LYS A 5 2.765 -11.131 -3.098 1.00 51.32 H new ATOM 0 HA LYS A 5 2.486 -12.697 -0.718 1.00 73.24 H new ATOM 0 HB2 LYS A 5 1.727 -14.393 -2.200 1.00 31.22 H new ATOM 0 HB3 LYS A 5 1.155 -12.884 -2.885 1.00 31.22 H new ATOM 0 HG2 LYS A 5 3.256 -12.927 -4.370 1.00 23.20 H new ATOM 0 HG3 LYS A 5 3.487 -14.577 -3.825 1.00 23.20 H new ATOM 0 HD2 LYS A 5 1.671 -15.377 -4.997 1.00 12.51 H new ATOM 0 HD3 LYS A 5 0.745 -13.903 -4.794 1.00 12.51 H new ATOM 0 HE2 LYS A 5 2.240 -12.764 -6.455 1.00 32.34 H new ATOM 0 HE3 LYS A 5 3.105 -14.270 -6.686 1.00 32.34 H new ATOM 0 HZ1 LYS A 5 1.434 -13.948 -8.391 1.00 41.25 H new ATOM 0 HZ2 LYS A 5 1.044 -15.305 -7.447 1.00 41.25 H new ATOM 0 HZ3 LYS A 5 0.206 -13.845 -7.223 1.00 41.25 H new ATOM 101 N TYR A 6 4.339 -14.570 -1.076 1.00 50.42 N ATOM 102 CA TYR A 6 5.585 -15.312 -0.927 1.00 71.24 C ATOM 103 C TYR A 6 6.056 -15.861 -2.271 1.00 35.43 C ATOM 104 O TYR A 6 5.271 -15.992 -3.211 1.00 34.41 O ATOM 105 CB TYR A 6 5.404 -16.458 0.070 1.00 61.14 C ATOM 106 CG TYR A 6 5.089 -15.995 1.474 1.00 51.20 C ATOM 107 CD1 TYR A 6 5.980 -15.194 2.179 1.00 73.24 C ATOM 108 CD2 TYR A 6 3.901 -16.358 2.097 1.00 63.14 C ATOM 109 CE1 TYR A 6 5.696 -14.769 3.462 1.00 5.02 C ATOM 110 CE2 TYR A 6 3.609 -15.936 3.379 1.00 21.41 C ATOM 111 CZ TYR A 6 4.510 -15.142 4.058 1.00 73.31 C ATOM 112 OH TYR A 6 4.223 -14.721 5.336 1.00 30.32 O ATOM 0 H TYR A 6 3.512 -15.062 -0.737 1.00 50.42 H new ATOM 0 HA TYR A 6 6.344 -14.627 -0.549 1.00 71.24 H new ATOM 0 HB2 TYR A 6 4.601 -17.108 -0.278 1.00 61.14 H new ATOM 0 HB3 TYR A 6 6.314 -17.058 0.090 1.00 61.14 H new ATOM 0 HD1 TYR A 6 6.910 -14.899 1.716 1.00 73.24 H new ATOM 0 HD2 TYR A 6 3.194 -16.981 1.569 1.00 63.14 H new ATOM 0 HE1 TYR A 6 6.400 -14.147 3.996 1.00 5.02 H new ATOM 0 HE2 TYR A 6 2.680 -16.226 3.848 1.00 21.41 H new ATOM 0 HH TYR A 6 3.349 -15.071 5.607 1.00 30.32 H new ATOM 122 N LEU A 7 7.342 -16.182 -2.353 1.00 41.12 N ATOM 123 CA LEU A 7 7.920 -16.718 -3.581 1.00 33.33 C ATOM 124 C LEU A 7 8.404 -18.150 -3.374 1.00 74.04 C ATOM 125 O LEU A 7 9.606 -18.407 -3.318 1.00 60.52 O ATOM 126 CB LEU A 7 9.080 -15.838 -4.049 1.00 20.14 C ATOM 127 CG LEU A 7 8.857 -14.328 -3.957 1.00 34.22 C ATOM 128 CD1 LEU A 7 10.073 -13.576 -4.473 1.00 64.23 C ATOM 129 CD2 LEU A 7 7.610 -13.925 -4.731 1.00 61.52 C ATOM 0 H LEU A 7 8.005 -16.081 -1.584 1.00 41.12 H new ATOM 0 HA LEU A 7 7.144 -16.723 -4.347 1.00 33.33 H new ATOM 0 HB2 LEU A 7 9.962 -16.091 -3.461 1.00 20.14 H new ATOM 0 HB3 LEU A 7 9.305 -16.089 -5.085 1.00 20.14 H new ATOM 0 HG LEU A 7 8.711 -14.065 -2.909 1.00 34.22 H new ATOM 0 HD11 LEU A 7 9.895 -12.503 -4.400 1.00 64.23 H new ATOM 0 HD12 LEU A 7 10.945 -13.841 -3.876 1.00 64.23 H new ATOM 0 HD13 LEU A 7 10.251 -13.844 -5.514 1.00 64.23 H new ATOM 0 HD21 LEU A 7 7.467 -12.847 -4.655 1.00 61.52 H new ATOM 0 HD22 LEU A 7 7.727 -14.202 -5.779 1.00 61.52 H new ATOM 0 HD23 LEU A 7 6.742 -14.437 -4.315 1.00 61.52 H new ATOM 141 N SER A 8 7.459 -19.078 -3.264 1.00 72.55 N ATOM 142 CA SER A 8 7.789 -20.485 -3.063 1.00 54.51 C ATOM 143 C SER A 8 6.852 -21.383 -3.866 1.00 44.51 C ATOM 144 O SER A 8 5.809 -20.940 -4.349 1.00 5.43 O ATOM 145 CB SER A 8 7.707 -20.842 -1.578 1.00 13.23 C ATOM 146 OG SER A 8 6.368 -20.794 -1.115 1.00 22.32 O ATOM 0 H SER A 8 6.459 -18.882 -3.311 1.00 72.55 H new ATOM 0 HA SER A 8 8.808 -20.648 -3.413 1.00 54.51 H new ATOM 0 HB2 SER A 8 8.115 -21.840 -1.418 1.00 13.23 H new ATOM 0 HB3 SER A 8 8.320 -20.150 -1.000 1.00 13.23 H new ATOM 0 HG SER A 8 6.226 -19.966 -0.610 1.00 22.32 H new ATOM 247 N MET A 15 9.648 -22.756 4.105 1.00 24.51 N ATOM 248 CA MET A 15 10.445 -22.047 3.111 1.00 41.21 C ATOM 249 C MET A 15 9.579 -21.081 2.309 1.00 72.03 C ATOM 250 O MET A 15 8.696 -21.499 1.560 1.00 25.35 O ATOM 251 CB MET A 15 11.128 -23.041 2.169 1.00 13.32 C ATOM 252 CG MET A 15 12.614 -22.780 1.984 1.00 52.11 C ATOM 253 SD MET A 15 13.621 -23.567 3.256 1.00 71.05 S ATOM 254 CE MET A 15 14.612 -24.680 2.262 1.00 73.21 C ATOM 0 HA MET A 15 11.208 -21.473 3.636 1.00 41.21 H new ATOM 0 HB2 MET A 15 10.990 -24.050 2.557 1.00 13.32 H new ATOM 0 HB3 MET A 15 10.637 -23.004 1.197 1.00 13.32 H new ATOM 0 HG2 MET A 15 12.924 -23.144 1.004 1.00 52.11 H new ATOM 0 HG3 MET A 15 12.794 -21.705 1.997 1.00 52.11 H new ATOM 0 HE1 MET A 15 15.288 -25.240 2.908 1.00 73.21 H new ATOM 0 HE2 MET A 15 13.959 -25.373 1.732 1.00 73.21 H new ATOM 0 HE3 MET A 15 15.192 -24.105 1.541 1.00 73.21 H new ATOM 264 N ASN A 16 9.837 -19.787 2.470 1.00 21.35 N ATOM 265 CA ASN A 16 9.080 -18.762 1.762 1.00 73.35 C ATOM 266 C ASN A 16 9.870 -17.459 1.683 1.00 75.33 C ATOM 267 O ASN A 16 10.707 -17.176 2.540 1.00 34.43 O ATOM 268 CB ASN A 16 7.739 -18.518 2.456 1.00 14.41 C ATOM 269 CG ASN A 16 6.646 -19.436 1.944 1.00 22.41 C ATOM 270 OD1 ASN A 16 6.045 -19.183 0.900 1.00 11.43 O ATOM 271 ND2 ASN A 16 6.384 -20.511 2.679 1.00 4.01 N ATOM 0 H ASN A 16 10.565 -19.424 3.085 1.00 21.35 H new ATOM 0 HA ASN A 16 8.897 -19.117 0.748 1.00 73.35 H new ATOM 0 HB2 ASN A 16 7.857 -18.663 3.530 1.00 14.41 H new ATOM 0 HB3 ASN A 16 7.439 -17.481 2.305 1.00 14.41 H new ATOM 0 HD21 ASN A 16 5.660 -21.166 2.385 1.00 4.01 H new ATOM 0 HD22 ASN A 16 6.907 -20.681 3.538 1.00 4.01 H new ATOM 278 N ILE A 17 9.597 -16.670 0.649 1.00 33.21 N ATOM 279 CA ILE A 17 10.280 -15.397 0.460 1.00 43.24 C ATOM 280 C ILE A 17 9.282 -14.254 0.310 1.00 51.12 C ATOM 281 O ILE A 17 8.516 -14.207 -0.652 1.00 70.53 O ATOM 282 CB ILE A 17 11.197 -15.429 -0.778 1.00 13.51 C ATOM 283 CG1 ILE A 17 12.388 -16.358 -0.534 1.00 13.52 C ATOM 284 CG2 ILE A 17 11.674 -14.025 -1.120 1.00 0.15 C ATOM 285 CD1 ILE A 17 12.900 -17.026 -1.790 1.00 75.53 C ATOM 0 H ILE A 17 8.908 -16.890 -0.070 1.00 33.21 H new ATOM 0 HA ILE A 17 10.888 -15.230 1.349 1.00 43.24 H new ATOM 0 HB ILE A 17 10.628 -15.814 -1.624 1.00 13.51 H new ATOM 0 HG12 ILE A 17 13.198 -15.786 -0.080 1.00 13.52 H new ATOM 0 HG13 ILE A 17 12.099 -17.125 0.184 1.00 13.52 H new ATOM 0 HG21 ILE A 17 12.321 -14.064 -1.997 1.00 0.15 H new ATOM 0 HG22 ILE A 17 10.814 -13.390 -1.332 1.00 0.15 H new ATOM 0 HG23 ILE A 17 12.230 -13.614 -0.277 1.00 0.15 H new ATOM 0 HD11 ILE A 17 13.744 -17.669 -1.542 1.00 75.53 H new ATOM 0 HD12 ILE A 17 12.105 -17.625 -2.233 1.00 75.53 H new ATOM 0 HD13 ILE A 17 13.221 -16.265 -2.502 1.00 75.53 H new ATOM 297 N ALA A 18 9.298 -13.332 1.267 1.00 33.42 N ATOM 298 CA ALA A 18 8.397 -12.187 1.240 1.00 33.01 C ATOM 299 C ALA A 18 8.978 -11.051 0.405 1.00 75.34 C ATOM 300 O ALA A 18 10.159 -10.725 0.518 1.00 63.31 O ATOM 301 CB ALA A 18 8.108 -11.709 2.655 1.00 35.34 C ATOM 0 H ALA A 18 9.925 -13.356 2.071 1.00 33.42 H new ATOM 0 HA ALA A 18 7.462 -12.503 0.777 1.00 33.01 H new ATOM 0 HB1 ALA A 18 7.434 -10.853 2.619 1.00 35.34 H new ATOM 0 HB2 ALA A 18 7.643 -12.514 3.223 1.00 35.34 H new ATOM 0 HB3 ALA A 18 9.040 -11.416 3.138 1.00 35.34 H new ATOM 307 N VAL A 19 8.139 -10.452 -0.435 1.00 64.04 N ATOM 308 CA VAL A 19 8.570 -9.352 -1.290 1.00 71.00 C ATOM 309 C VAL A 19 7.765 -8.089 -1.007 1.00 55.24 C ATOM 310 O VAL A 19 6.717 -8.139 -0.362 1.00 60.23 O ATOM 311 CB VAL A 19 8.432 -9.713 -2.781 1.00 40.31 C ATOM 312 CG1 VAL A 19 9.482 -8.984 -3.606 1.00 71.22 C ATOM 313 CG2 VAL A 19 8.538 -11.218 -2.977 1.00 1.51 C ATOM 0 H VAL A 19 7.158 -10.710 -0.541 1.00 64.04 H new ATOM 0 HA VAL A 19 9.620 -9.168 -1.064 1.00 71.00 H new ATOM 0 HB VAL A 19 7.448 -9.394 -3.125 1.00 40.31 H new ATOM 0 HG11 VAL A 19 9.369 -9.251 -4.657 1.00 71.22 H new ATOM 0 HG12 VAL A 19 9.354 -7.908 -3.489 1.00 71.22 H new ATOM 0 HG13 VAL A 19 10.477 -9.270 -3.264 1.00 71.22 H new ATOM 0 HG21 VAL A 19 8.438 -11.455 -4.036 1.00 1.51 H new ATOM 0 HG22 VAL A 19 9.507 -11.564 -2.617 1.00 1.51 H new ATOM 0 HG23 VAL A 19 7.745 -11.714 -2.418 1.00 1.51 H new ATOM 323 N TYR A 20 8.260 -6.957 -1.495 1.00 10.23 N ATOM 324 CA TYR A 20 7.587 -5.679 -1.293 1.00 45.10 C ATOM 325 C TYR A 20 7.800 -4.757 -2.490 1.00 11.33 C ATOM 326 O TYR A 20 8.922 -4.589 -2.966 1.00 21.12 O ATOM 327 CB TYR A 20 8.099 -5.005 -0.019 1.00 30.14 C ATOM 328 CG TYR A 20 8.154 -5.931 1.176 1.00 54.24 C ATOM 329 CD1 TYR A 20 6.996 -6.292 1.854 1.00 51.34 C ATOM 330 CD2 TYR A 20 9.363 -6.445 1.625 1.00 25.44 C ATOM 331 CE1 TYR A 20 7.041 -7.136 2.946 1.00 65.54 C ATOM 332 CE2 TYR A 20 9.418 -7.292 2.716 1.00 64.13 C ATOM 333 CZ TYR A 20 8.255 -7.634 3.373 1.00 71.24 C ATOM 334 OH TYR A 20 8.304 -8.477 4.459 1.00 23.22 O ATOM 0 H TYR A 20 9.125 -6.898 -2.033 1.00 10.23 H new ATOM 0 HA TYR A 20 6.519 -5.871 -1.190 1.00 45.10 H new ATOM 0 HB2 TYR A 20 9.096 -4.606 -0.205 1.00 30.14 H new ATOM 0 HB3 TYR A 20 7.455 -4.158 0.218 1.00 30.14 H new ATOM 0 HD1 TYR A 20 6.044 -5.906 1.521 1.00 51.34 H new ATOM 0 HD2 TYR A 20 10.276 -6.179 1.113 1.00 25.44 H new ATOM 0 HE1 TYR A 20 6.132 -7.405 3.463 1.00 65.54 H new ATOM 0 HE2 TYR A 20 10.367 -7.684 3.052 1.00 64.13 H new ATOM 0 HH TYR A 20 7.470 -8.988 4.514 1.00 23.22 H new ATOM 344 N GLU A 21 6.713 -4.161 -2.970 1.00 12.23 N ATOM 345 CA GLU A 21 6.780 -3.255 -4.111 1.00 35.42 C ATOM 346 C GLU A 21 6.480 -1.821 -3.685 1.00 50.14 C ATOM 347 O GLU A 21 5.754 -1.587 -2.720 1.00 21.50 O ATOM 348 CB GLU A 21 5.794 -3.694 -5.196 1.00 51.40 C ATOM 349 CG GLU A 21 6.010 -3.000 -6.531 1.00 24.43 C ATOM 350 CD GLU A 21 5.000 -3.424 -7.579 1.00 15.43 C ATOM 351 OE1 GLU A 21 3.869 -2.893 -7.562 1.00 63.11 O ATOM 352 OE2 GLU A 21 5.340 -4.286 -8.416 1.00 15.21 O ATOM 0 H GLU A 21 5.776 -4.289 -2.587 1.00 12.23 H new ATOM 0 HA GLU A 21 7.792 -3.291 -4.513 1.00 35.42 H new ATOM 0 HB2 GLU A 21 5.879 -4.771 -5.338 1.00 51.40 H new ATOM 0 HB3 GLU A 21 4.778 -3.497 -4.854 1.00 51.40 H new ATOM 0 HG2 GLU A 21 5.950 -1.921 -6.389 1.00 24.43 H new ATOM 0 HG3 GLU A 21 7.015 -3.218 -6.891 1.00 24.43 H new ATOM 359 N ASN A 22 7.045 -0.864 -4.414 1.00 5.44 N ATOM 360 CA ASN A 22 6.840 0.548 -4.112 1.00 4.43 C ATOM 361 C ASN A 22 5.734 1.136 -4.983 1.00 65.11 C ATOM 362 O ASN A 22 5.547 0.725 -6.127 1.00 40.15 O ATOM 363 CB ASN A 22 8.139 1.330 -4.321 1.00 21.23 C ATOM 364 CG ASN A 22 7.958 2.820 -4.108 1.00 13.32 C ATOM 365 OD1 ASN A 22 7.197 3.246 -3.238 1.00 44.44 O ATOM 366 ND2 ASN A 22 8.657 3.621 -4.904 1.00 23.15 N ATOM 0 H ASN A 22 7.648 -1.040 -5.218 1.00 5.44 H new ATOM 0 HA ASN A 22 6.538 0.630 -3.068 1.00 4.43 H new ATOM 0 HB2 ASN A 22 8.899 0.957 -3.634 1.00 21.23 H new ATOM 0 HB3 ASN A 22 8.508 1.152 -5.331 1.00 21.23 H new ATOM 0 HD21 ASN A 22 8.575 4.633 -4.808 1.00 23.15 H new ATOM 0 HD22 ASN A 22 9.276 3.224 -5.611 1.00 23.15 H new ATOM 373 N GLY A 23 5.004 2.101 -4.433 1.00 4.35 N ATOM 374 CA GLY A 23 3.927 2.730 -5.173 1.00 54.42 C ATOM 375 C GLY A 23 4.423 3.483 -6.392 1.00 34.11 C ATOM 376 O GLY A 23 3.742 3.536 -7.416 1.00 42.43 O ATOM 0 H GLY A 23 5.140 2.458 -3.487 1.00 4.35 H new ATOM 0 HA2 GLY A 23 3.212 1.969 -5.486 1.00 54.42 H new ATOM 0 HA3 GLY A 23 3.393 3.418 -4.517 1.00 54.42 H new ATOM 380 N SER A 24 5.611 4.068 -6.281 1.00 62.42 N ATOM 381 CA SER A 24 6.195 4.826 -7.381 1.00 65.12 C ATOM 382 C SER A 24 6.770 3.891 -8.441 1.00 23.33 C ATOM 383 O SER A 24 6.254 3.803 -9.555 1.00 35.42 O ATOM 384 CB SER A 24 7.290 5.759 -6.860 1.00 42.14 C ATOM 385 OG SER A 24 6.917 6.343 -5.624 1.00 61.03 O ATOM 0 H SER A 24 6.188 4.032 -5.441 1.00 62.42 H new ATOM 0 HA SER A 24 5.405 5.423 -7.838 1.00 65.12 H new ATOM 0 HB2 SER A 24 8.219 5.202 -6.737 1.00 42.14 H new ATOM 0 HB3 SER A 24 7.483 6.543 -7.592 1.00 42.14 H new ATOM 0 HG SER A 24 7.634 6.933 -5.312 1.00 61.03 H new ATOM 391 N LYS A 25 7.844 3.193 -8.085 1.00 51.24 N ATOM 392 CA LYS A 25 8.491 2.263 -9.003 1.00 34.41 C ATOM 393 C LYS A 25 8.406 0.833 -8.477 1.00 45.22 C ATOM 394 O LYS A 25 7.798 0.580 -7.437 1.00 23.40 O ATOM 395 CB LYS A 25 9.955 2.655 -9.212 1.00 11.11 C ATOM 396 CG LYS A 25 10.133 3.952 -9.982 1.00 41.11 C ATOM 397 CD LYS A 25 9.891 3.755 -11.469 1.00 42.22 C ATOM 398 CE LYS A 25 10.375 4.950 -12.276 1.00 4.43 C ATOM 399 NZ LYS A 25 11.861 4.993 -12.367 1.00 62.41 N ATOM 0 H LYS A 25 8.284 3.254 -7.167 1.00 51.24 H new ATOM 0 HA LYS A 25 7.969 2.312 -9.959 1.00 34.41 H new ATOM 0 HB2 LYS A 25 10.439 2.750 -8.240 1.00 11.11 H new ATOM 0 HB3 LYS A 25 10.465 1.853 -9.745 1.00 11.11 H new ATOM 0 HG2 LYS A 25 9.443 4.703 -9.596 1.00 41.11 H new ATOM 0 HG3 LYS A 25 11.141 4.335 -9.824 1.00 41.11 H new ATOM 0 HD2 LYS A 25 10.405 2.855 -11.806 1.00 42.22 H new ATOM 0 HD3 LYS A 25 8.827 3.601 -11.648 1.00 42.22 H new ATOM 0 HE2 LYS A 25 9.951 4.907 -13.279 1.00 4.43 H new ATOM 0 HE3 LYS A 25 10.013 5.869 -11.816 1.00 4.43 H new ATOM 0 HZ1 LYS A 25 12.145 5.704 -13.071 1.00 62.41 H new ATOM 0 HZ2 LYS A 25 12.258 5.246 -11.440 1.00 62.41 H new ATOM 0 HZ3 LYS A 25 12.218 4.059 -12.654 1.00 62.41 H new ATOM 413 N ILE A 26 9.021 -0.096 -9.201 1.00 43.24 N ATOM 414 CA ILE A 26 9.017 -1.499 -8.806 1.00 4.43 C ATOM 415 C ILE A 26 10.141 -1.794 -7.818 1.00 64.44 C ATOM 416 O ILE A 26 11.259 -1.299 -7.966 1.00 31.31 O ATOM 417 CB ILE A 26 9.163 -2.428 -10.025 1.00 52.02 C ATOM 418 CG1 ILE A 26 7.999 -2.217 -10.996 1.00 21.20 C ATOM 419 CG2 ILE A 26 9.231 -3.881 -9.579 1.00 11.22 C ATOM 420 CD1 ILE A 26 6.677 -2.737 -10.476 1.00 51.41 C ATOM 0 H ILE A 26 9.528 0.098 -10.064 1.00 43.24 H new ATOM 0 HA ILE A 26 8.056 -1.690 -8.328 1.00 4.43 H new ATOM 0 HB ILE A 26 10.091 -2.183 -10.541 1.00 52.02 H new ATOM 0 HG12 ILE A 26 7.903 -1.152 -11.210 1.00 21.20 H new ATOM 0 HG13 ILE A 26 8.229 -2.712 -11.940 1.00 21.20 H new ATOM 0 HG21 ILE A 26 9.334 -4.525 -10.452 1.00 11.22 H new ATOM 0 HG22 ILE A 26 10.090 -4.020 -8.922 1.00 11.22 H new ATOM 0 HG23 ILE A 26 8.318 -4.140 -9.043 1.00 11.22 H new ATOM 0 HD11 ILE A 26 5.898 -2.554 -11.216 1.00 51.41 H new ATOM 0 HD12 ILE A 26 6.755 -3.808 -10.289 1.00 51.41 H new ATOM 0 HD13 ILE A 26 6.424 -2.224 -9.548 1.00 51.41 H new ATOM 432 N LYS A 27 9.838 -2.607 -6.812 1.00 4.35 N ATOM 433 CA LYS A 27 10.823 -2.973 -5.800 1.00 51.42 C ATOM 434 C LYS A 27 10.754 -4.464 -5.489 1.00 22.24 C ATOM 435 O LYS A 27 9.670 -5.039 -5.395 1.00 1.10 O ATOM 436 CB LYS A 27 10.596 -2.163 -4.522 1.00 1.34 C ATOM 437 CG LYS A 27 11.448 -2.622 -3.351 1.00 63.33 C ATOM 438 CD LYS A 27 11.747 -1.479 -2.396 1.00 44.13 C ATOM 439 CE LYS A 27 10.517 -1.089 -1.591 1.00 43.22 C ATOM 440 NZ LYS A 27 10.216 -2.082 -0.523 1.00 53.31 N ATOM 0 H LYS A 27 8.918 -3.025 -6.675 1.00 4.35 H new ATOM 0 HA LYS A 27 11.814 -2.748 -6.194 1.00 51.42 H new ATOM 0 HB2 LYS A 27 10.808 -1.113 -4.725 1.00 1.34 H new ATOM 0 HB3 LYS A 27 9.544 -2.228 -4.243 1.00 1.34 H new ATOM 0 HG2 LYS A 27 10.932 -3.419 -2.815 1.00 63.33 H new ATOM 0 HG3 LYS A 27 12.383 -3.041 -3.723 1.00 63.33 H new ATOM 0 HD2 LYS A 27 12.549 -1.770 -1.718 1.00 44.13 H new ATOM 0 HD3 LYS A 27 12.103 -0.616 -2.959 1.00 44.13 H new ATOM 0 HE2 LYS A 27 10.673 -0.108 -1.142 1.00 43.22 H new ATOM 0 HE3 LYS A 27 9.659 -1.001 -2.258 1.00 43.22 H new ATOM 0 HZ1 LYS A 27 9.197 -2.290 -0.520 1.00 53.31 H new ATOM 0 HZ2 LYS A 27 10.748 -2.958 -0.703 1.00 53.31 H new ATOM 0 HZ3 LYS A 27 10.493 -1.693 0.401 1.00 53.31 H new ATOM 454 N ALA A 28 11.918 -5.085 -5.328 1.00 4.43 N ATOM 455 CA ALA A 28 11.990 -6.508 -5.023 1.00 74.30 C ATOM 456 C ALA A 28 12.942 -6.774 -3.862 1.00 62.33 C ATOM 457 O ALA A 28 14.162 -6.724 -4.024 1.00 34.32 O ATOM 458 CB ALA A 28 12.423 -7.290 -6.254 1.00 62.40 C ATOM 0 H ALA A 28 12.825 -4.624 -5.404 1.00 4.43 H new ATOM 0 HA ALA A 28 10.996 -6.841 -4.726 1.00 74.30 H new ATOM 0 HB1 ALA A 28 12.473 -8.352 -6.012 1.00 62.40 H new ATOM 0 HB2 ALA A 28 11.702 -7.134 -7.056 1.00 62.40 H new ATOM 0 HB3 ALA A 28 13.405 -6.945 -6.577 1.00 62.40 H new ATOM 464 N ARG A 29 12.378 -7.056 -2.693 1.00 31.34 N ATOM 465 CA ARG A 29 13.178 -7.328 -1.504 1.00 73.23 C ATOM 466 C ARG A 29 12.932 -8.746 -0.996 1.00 54.30 C ATOM 467 O ARG A 29 11.861 -9.051 -0.469 1.00 45.25 O ATOM 468 CB ARG A 29 12.854 -6.317 -0.403 1.00 51.32 C ATOM 469 CG ARG A 29 13.663 -6.520 0.868 1.00 73.15 C ATOM 470 CD ARG A 29 12.985 -5.877 2.068 1.00 64.42 C ATOM 471 NE ARG A 29 13.928 -5.610 3.150 1.00 24.45 N ATOM 472 CZ ARG A 29 13.640 -4.860 4.208 1.00 30.10 C ATOM 473 NH1 ARG A 29 12.441 -4.306 4.325 1.00 43.34 N ATOM 474 NH2 ARG A 29 14.552 -4.663 5.152 1.00 35.50 N ATOM 0 H ARG A 29 11.370 -7.102 -2.543 1.00 31.34 H new ATOM 0 HA ARG A 29 14.230 -7.235 -1.775 1.00 73.23 H new ATOM 0 HB2 ARG A 29 13.034 -5.311 -0.781 1.00 51.32 H new ATOM 0 HB3 ARG A 29 11.793 -6.382 -0.162 1.00 51.32 H new ATOM 0 HG2 ARG A 29 13.794 -7.587 1.051 1.00 73.15 H new ATOM 0 HG3 ARG A 29 14.658 -6.094 0.739 1.00 73.15 H new ATOM 0 HD2 ARG A 29 12.512 -4.944 1.761 1.00 64.42 H new ATOM 0 HD3 ARG A 29 12.193 -6.532 2.431 1.00 64.42 H new ATOM 0 HE ARG A 29 14.859 -6.022 3.090 1.00 24.45 H new ATOM 0 HH11 ARG A 29 11.737 -4.455 3.602 1.00 43.34 H new ATOM 0 HH12 ARG A 29 12.222 -3.731 5.138 1.00 43.34 H new ATOM 0 HH21 ARG A 29 15.475 -5.088 5.066 1.00 35.50 H new ATOM 0 HH22 ARG A 29 14.330 -4.087 5.964 1.00 35.50 H new ATOM 488 N VAL A 30 13.930 -9.609 -1.158 1.00 12.40 N ATOM 489 CA VAL A 30 13.822 -10.994 -0.715 1.00 44.44 C ATOM 490 C VAL A 30 14.000 -11.103 0.795 1.00 61.32 C ATOM 491 O VAL A 30 15.023 -10.690 1.340 1.00 32.34 O ATOM 492 CB VAL A 30 14.867 -11.887 -1.410 1.00 74.54 C ATOM 493 CG1 VAL A 30 14.891 -13.271 -0.779 1.00 35.02 C ATOM 494 CG2 VAL A 30 14.582 -11.978 -2.902 1.00 34.11 C ATOM 0 H VAL A 30 14.822 -9.373 -1.593 1.00 12.40 H new ATOM 0 HA VAL A 30 12.823 -11.337 -0.986 1.00 44.44 H new ATOM 0 HB VAL A 30 15.850 -11.436 -1.278 1.00 74.54 H new ATOM 0 HG11 VAL A 30 15.635 -13.888 -1.283 1.00 35.02 H new ATOM 0 HG12 VAL A 30 15.146 -13.185 0.277 1.00 35.02 H new ATOM 0 HG13 VAL A 30 13.909 -13.733 -0.879 1.00 35.02 H new ATOM 0 HG21 VAL A 30 15.330 -12.613 -3.377 1.00 34.11 H new ATOM 0 HG22 VAL A 30 13.591 -12.405 -3.058 1.00 34.11 H new ATOM 0 HG23 VAL A 30 14.620 -10.981 -3.341 1.00 34.11 H new ATOM 504 N GLU A 31 12.997 -11.663 1.464 1.00 23.21 N ATOM 505 CA GLU A 31 13.043 -11.827 2.912 1.00 5.24 C ATOM 506 C GLU A 31 12.731 -13.267 3.307 1.00 24.34 C ATOM 507 O GLU A 31 11.681 -13.804 2.958 1.00 63.33 O ATOM 508 CB GLU A 31 12.053 -10.875 3.587 1.00 21.42 C ATOM 509 CG GLU A 31 11.858 -11.150 5.069 1.00 62.32 C ATOM 510 CD GLU A 31 11.127 -10.028 5.779 1.00 1.31 C ATOM 511 OE1 GLU A 31 11.637 -8.888 5.767 1.00 53.53 O ATOM 512 OE2 GLU A 31 10.046 -10.289 6.347 1.00 3.14 O ATOM 0 H GLU A 31 12.143 -12.010 1.027 1.00 23.21 H new ATOM 0 HA GLU A 31 14.052 -11.588 3.247 1.00 5.24 H new ATOM 0 HB2 GLU A 31 12.402 -9.850 3.459 1.00 21.42 H new ATOM 0 HB3 GLU A 31 11.090 -10.949 3.083 1.00 21.42 H new ATOM 0 HG2 GLU A 31 11.299 -12.078 5.192 1.00 62.32 H new ATOM 0 HG3 GLU A 31 12.831 -11.299 5.538 1.00 62.32 H new ATOM 519 N ASN A 32 13.653 -13.887 4.038 1.00 35.03 N ATOM 520 CA ASN A 32 13.477 -15.266 4.480 1.00 1.34 C ATOM 521 C ASN A 32 12.674 -15.323 5.776 1.00 35.40 C ATOM 522 O ASN A 32 12.446 -14.302 6.424 1.00 2.23 O ATOM 523 CB ASN A 32 14.838 -15.936 4.681 1.00 73.03 C ATOM 524 CG ASN A 32 14.767 -17.444 4.534 1.00 14.22 C ATOM 525 OD1 ASN A 32 13.688 -18.012 4.362 1.00 10.41 O ATOM 526 ND2 ASN A 32 15.919 -18.100 4.602 1.00 3.34 N ATOM 0 H ASN A 32 14.528 -13.457 4.336 1.00 35.03 H new ATOM 0 HA ASN A 32 12.926 -15.802 3.707 1.00 1.34 H new ATOM 0 HB2 ASN A 32 15.547 -15.536 3.957 1.00 73.03 H new ATOM 0 HB3 ASN A 32 15.220 -15.688 5.671 1.00 73.03 H new ATOM 0 HD21 ASN A 32 15.934 -19.116 4.511 1.00 3.34 H new ATOM 0 HD22 ASN A 32 16.790 -17.588 4.746 1.00 3.34 H new ATOM 533 N VAL A 33 12.246 -16.526 6.148 1.00 3.10 N ATOM 534 CA VAL A 33 11.470 -16.718 7.367 1.00 74.01 C ATOM 535 C VAL A 33 12.128 -17.744 8.282 1.00 4.24 C ATOM 536 O VAL A 33 12.169 -17.570 9.500 1.00 14.34 O ATOM 537 CB VAL A 33 10.033 -17.176 7.051 1.00 43.21 C ATOM 538 CG1 VAL A 33 9.228 -16.033 6.451 1.00 64.11 C ATOM 539 CG2 VAL A 33 10.051 -18.375 6.116 1.00 75.43 C ATOM 0 H VAL A 33 12.424 -17.382 5.622 1.00 3.10 H new ATOM 0 HA VAL A 33 11.434 -15.754 7.874 1.00 74.01 H new ATOM 0 HB VAL A 33 9.552 -17.477 7.982 1.00 43.21 H new ATOM 0 HG11 VAL A 33 8.216 -16.375 6.234 1.00 64.11 H new ATOM 0 HG12 VAL A 33 9.187 -15.205 7.159 1.00 64.11 H new ATOM 0 HG13 VAL A 33 9.703 -15.698 5.529 1.00 64.11 H new ATOM 0 HG21 VAL A 33 9.028 -18.686 5.903 1.00 75.43 H new ATOM 0 HG22 VAL A 33 10.549 -18.103 5.185 1.00 75.43 H new ATOM 0 HG23 VAL A 33 10.589 -19.197 6.589 1.00 75.43 H new ATOM 549 N VAL A 34 12.645 -18.814 7.687 1.00 21.45 N ATOM 550 CA VAL A 34 13.304 -19.869 8.449 1.00 43.41 C ATOM 551 C VAL A 34 14.359 -19.292 9.386 1.00 2.14 C ATOM 552 O VAL A 34 14.495 -19.729 10.528 1.00 22.31 O ATOM 553 CB VAL A 34 13.969 -20.901 7.519 1.00 40.11 C ATOM 554 CG1 VAL A 34 12.915 -21.703 6.771 1.00 11.11 C ATOM 555 CG2 VAL A 34 14.915 -20.211 6.547 1.00 14.03 C ATOM 0 H VAL A 34 12.620 -18.974 6.680 1.00 21.45 H new ATOM 0 HA VAL A 34 12.532 -20.365 9.037 1.00 43.41 H new ATOM 0 HB VAL A 34 14.552 -21.591 8.129 1.00 40.11 H new ATOM 0 HG11 VAL A 34 13.404 -22.427 6.119 1.00 11.11 H new ATOM 0 HG12 VAL A 34 12.282 -22.228 7.486 1.00 11.11 H new ATOM 0 HG13 VAL A 34 12.303 -21.029 6.171 1.00 11.11 H new ATOM 0 HG21 VAL A 34 15.376 -20.955 5.898 1.00 14.03 H new ATOM 0 HG22 VAL A 34 14.357 -19.497 5.941 1.00 14.03 H new ATOM 0 HG23 VAL A 34 15.690 -19.686 7.105 1.00 14.03 H new ATOM 565 N ASN A 35 15.104 -18.306 8.896 1.00 73.33 N ATOM 566 CA ASN A 35 16.148 -17.669 9.690 1.00 55.31 C ATOM 567 C ASN A 35 15.576 -16.524 10.521 1.00 11.00 C ATOM 568 O ASN A 35 16.092 -16.201 11.590 1.00 43.11 O ATOM 569 CB ASN A 35 17.262 -17.147 8.781 1.00 40.22 C ATOM 570 CG ASN A 35 18.373 -18.161 8.588 1.00 2.40 C ATOM 571 OD1 ASN A 35 18.135 -19.281 8.138 1.00 32.52 O ATOM 572 ND2 ASN A 35 19.596 -17.770 8.929 1.00 72.11 N ATOM 0 H ASN A 35 15.004 -17.931 7.953 1.00 73.33 H new ATOM 0 HA ASN A 35 16.562 -18.416 10.368 1.00 55.31 H new ATOM 0 HB2 ASN A 35 16.842 -16.883 7.810 1.00 40.22 H new ATOM 0 HB3 ASN A 35 17.677 -16.234 9.207 1.00 40.22 H new ATOM 0 HD21 ASN A 35 20.384 -18.409 8.821 1.00 72.11 H new ATOM 0 HD22 ASN A 35 19.747 -16.831 9.298 1.00 72.11 H new ATOM 579 N GLY A 36 14.505 -15.914 10.021 1.00 21.24 N ATOM 580 CA GLY A 36 13.880 -14.813 10.730 1.00 5.34 C ATOM 581 C GLY A 36 14.430 -13.465 10.307 1.00 53.10 C ATOM 582 O GLY A 36 13.800 -12.431 10.532 1.00 44.23 O ATOM 0 H GLY A 36 14.060 -16.163 9.138 1.00 21.24 H new ATOM 0 HA2 GLY A 36 12.805 -14.835 10.554 1.00 5.34 H new ATOM 0 HA3 GLY A 36 14.030 -14.943 11.802 1.00 5.34 H new ATOM 586 N LYS A 37 15.608 -13.474 9.693 1.00 22.34 N ATOM 587 CA LYS A 37 16.244 -12.244 9.237 1.00 12.24 C ATOM 588 C LYS A 37 16.157 -12.116 7.720 1.00 73.41 C ATOM 589 O LYS A 37 16.391 -13.081 6.992 1.00 30.11 O ATOM 590 CB LYS A 37 17.709 -12.208 9.680 1.00 55.14 C ATOM 591 CG LYS A 37 18.510 -11.088 9.039 1.00 11.11 C ATOM 592 CD LYS A 37 17.969 -9.722 9.428 1.00 22.23 C ATOM 593 CE LYS A 37 18.549 -8.623 8.552 1.00 51.33 C ATOM 594 NZ LYS A 37 17.585 -7.505 8.353 1.00 33.33 N ATOM 0 H LYS A 37 16.142 -14.321 9.499 1.00 22.34 H new ATOM 0 HA LYS A 37 15.715 -11.403 9.685 1.00 12.24 H new ATOM 0 HB2 LYS A 37 17.750 -12.098 10.764 1.00 55.14 H new ATOM 0 HB3 LYS A 37 18.177 -13.162 9.438 1.00 55.14 H new ATOM 0 HG2 LYS A 37 19.554 -11.167 9.342 1.00 11.11 H new ATOM 0 HG3 LYS A 37 18.484 -11.195 7.955 1.00 11.11 H new ATOM 0 HD2 LYS A 37 16.882 -9.722 9.342 1.00 22.23 H new ATOM 0 HD3 LYS A 37 18.206 -9.519 10.472 1.00 22.23 H new ATOM 0 HE2 LYS A 37 19.461 -8.239 9.008 1.00 51.33 H new ATOM 0 HE3 LYS A 37 18.827 -9.039 7.584 1.00 51.33 H new ATOM 0 HZ1 LYS A 37 18.018 -6.776 7.751 1.00 33.33 H new ATOM 0 HZ2 LYS A 37 16.724 -7.866 7.895 1.00 33.33 H new ATOM 0 HZ3 LYS A 37 17.339 -7.091 9.275 1.00 33.33 H new ATOM 608 N SER A 38 15.820 -10.920 7.249 1.00 14.14 N ATOM 609 CA SER A 38 15.700 -10.667 5.818 1.00 35.32 C ATOM 610 C SER A 38 17.073 -10.464 5.185 1.00 32.14 C ATOM 611 O SER A 38 17.813 -9.554 5.559 1.00 52.22 O ATOM 612 CB SER A 38 14.823 -9.439 5.567 1.00 10.25 C ATOM 613 OG SER A 38 15.571 -8.391 4.975 1.00 72.11 O ATOM 0 H SER A 38 15.625 -10.110 7.838 1.00 14.14 H new ATOM 0 HA SER A 38 15.233 -11.538 5.358 1.00 35.32 H new ATOM 0 HB2 SER A 38 13.991 -9.709 4.916 1.00 10.25 H new ATOM 0 HB3 SER A 38 14.393 -9.097 6.508 1.00 10.25 H new ATOM 0 HG SER A 38 14.988 -7.618 4.823 1.00 72.11 H new ATOM 619 N VAL A 39 17.407 -11.319 4.224 1.00 31.52 N ATOM 620 CA VAL A 39 18.690 -11.235 3.538 1.00 43.45 C ATOM 621 C VAL A 39 18.499 -11.031 2.039 1.00 62.13 C ATOM 622 O VAL A 39 18.899 -11.869 1.232 1.00 72.41 O ATOM 623 CB VAL A 39 19.535 -12.501 3.769 1.00 65.22 C ATOM 624 CG1 VAL A 39 20.170 -12.475 5.151 1.00 32.11 C ATOM 625 CG2 VAL A 39 18.685 -13.749 3.587 1.00 31.31 C ATOM 0 H VAL A 39 16.806 -12.078 3.903 1.00 31.52 H new ATOM 0 HA VAL A 39 19.216 -10.376 3.955 1.00 43.45 H new ATOM 0 HB VAL A 39 20.335 -12.523 3.029 1.00 65.22 H new ATOM 0 HG11 VAL A 39 20.763 -13.378 5.296 1.00 32.11 H new ATOM 0 HG12 VAL A 39 20.814 -11.600 5.239 1.00 32.11 H new ATOM 0 HG13 VAL A 39 19.389 -12.429 5.910 1.00 32.11 H new ATOM 0 HG21 VAL A 39 19.298 -14.634 3.754 1.00 31.31 H new ATOM 0 HG22 VAL A 39 17.863 -13.737 4.303 1.00 31.31 H new ATOM 0 HG23 VAL A 39 18.284 -13.771 2.574 1.00 31.31 H new ATOM 635 N GLY A 40 17.885 -9.910 1.673 1.00 40.13 N ATOM 636 CA GLY A 40 17.652 -9.616 0.271 1.00 53.31 C ATOM 637 C GLY A 40 17.240 -8.175 0.042 1.00 40.04 C ATOM 638 O GLY A 40 16.327 -7.672 0.695 1.00 13.12 O ATOM 0 H GLY A 40 17.545 -9.200 2.322 1.00 40.13 H new ATOM 0 HA2 GLY A 40 18.558 -9.826 -0.297 1.00 53.31 H new ATOM 0 HA3 GLY A 40 16.875 -10.278 -0.112 1.00 53.31 H new ATOM 642 N ALA A 41 17.916 -7.509 -0.888 1.00 44.24 N ATOM 643 CA ALA A 41 17.616 -6.117 -1.202 1.00 75.52 C ATOM 644 C ALA A 41 17.948 -5.798 -2.656 1.00 22.23 C ATOM 645 O ALA A 41 19.091 -5.948 -3.088 1.00 3.41 O ATOM 646 CB ALA A 41 18.378 -5.189 -0.268 1.00 75.11 C ATOM 0 H ALA A 41 18.676 -7.911 -1.438 1.00 44.24 H new ATOM 0 HA ALA A 41 16.547 -5.960 -1.059 1.00 75.52 H new ATOM 0 HB1 ALA A 41 18.144 -4.153 -0.514 1.00 75.11 H new ATOM 0 HB2 ALA A 41 18.087 -5.392 0.763 1.00 75.11 H new ATOM 0 HB3 ALA A 41 19.449 -5.356 -0.383 1.00 75.11 H new ATOM 652 N ARG A 42 16.943 -5.359 -3.405 1.00 54.13 N ATOM 653 CA ARG A 42 17.129 -5.021 -4.811 1.00 53.42 C ATOM 654 C ARG A 42 16.109 -3.977 -5.259 1.00 5.13 C ATOM 655 O ARG A 42 15.044 -3.837 -4.658 1.00 21.43 O ATOM 656 CB ARG A 42 17.006 -6.274 -5.680 1.00 4.21 C ATOM 657 CG ARG A 42 18.346 -6.855 -6.103 1.00 53.42 C ATOM 658 CD ARG A 42 19.136 -5.871 -6.952 1.00 71.33 C ATOM 659 NE ARG A 42 20.242 -6.519 -7.652 1.00 42.55 N ATOM 660 CZ ARG A 42 20.097 -7.202 -8.782 1.00 45.24 C ATOM 661 NH1 ARG A 42 18.900 -7.326 -9.337 1.00 53.23 N ATOM 662 NH2 ARG A 42 21.152 -7.762 -9.360 1.00 24.30 N ATOM 0 H ARG A 42 15.991 -5.229 -3.062 1.00 54.13 H new ATOM 0 HA ARG A 42 18.128 -4.602 -4.928 1.00 53.42 H new ATOM 0 HB2 ARG A 42 16.447 -7.033 -5.132 1.00 4.21 H new ATOM 0 HB3 ARG A 42 16.426 -6.033 -6.571 1.00 4.21 H new ATOM 0 HG2 ARG A 42 18.925 -7.120 -5.218 1.00 53.42 H new ATOM 0 HG3 ARG A 42 18.184 -7.775 -6.665 1.00 53.42 H new ATOM 0 HD2 ARG A 42 18.471 -5.403 -7.678 1.00 71.33 H new ATOM 0 HD3 ARG A 42 19.525 -5.075 -6.317 1.00 71.33 H new ATOM 0 HE ARG A 42 21.177 -6.443 -7.251 1.00 42.55 H new ATOM 0 HH11 ARG A 42 18.087 -6.896 -8.896 1.00 53.23 H new ATOM 0 HH12 ARG A 42 18.792 -7.851 -10.205 1.00 53.23 H new ATOM 0 HH21 ARG A 42 22.075 -7.668 -8.937 1.00 24.30 H new ATOM 0 HH22 ARG A 42 21.040 -8.286 -10.228 1.00 24.30 H new ATOM 676 N ASP A 43 16.444 -3.246 -6.317 1.00 22.44 N ATOM 677 CA ASP A 43 15.558 -2.216 -6.845 1.00 44.33 C ATOM 678 C ASP A 43 15.294 -2.436 -8.331 1.00 71.54 C ATOM 679 O ASP A 43 16.171 -2.218 -9.168 1.00 33.32 O ATOM 680 CB ASP A 43 16.164 -0.829 -6.623 1.00 24.11 C ATOM 681 CG ASP A 43 15.113 0.221 -6.323 1.00 52.03 C ATOM 682 OD1 ASP A 43 14.086 -0.127 -5.702 1.00 44.23 O ATOM 683 OD2 ASP A 43 15.317 1.391 -6.709 1.00 34.01 O ATOM 0 H ASP A 43 17.322 -3.348 -6.825 1.00 22.44 H new ATOM 0 HA ASP A 43 14.609 -2.280 -6.312 1.00 44.33 H new ATOM 0 HB2 ASP A 43 16.874 -0.874 -5.797 1.00 24.11 H new ATOM 0 HB3 ASP A 43 16.725 -0.535 -7.510 1.00 24.11 H new ATOM 688 N PHE A 44 14.080 -2.872 -8.653 1.00 1.51 N ATOM 689 CA PHE A 44 13.701 -3.124 -10.038 1.00 75.10 C ATOM 690 C PHE A 44 13.012 -1.905 -10.644 1.00 54.12 C ATOM 691 O PHE A 44 12.842 -0.881 -9.982 1.00 34.34 O ATOM 692 CB PHE A 44 12.776 -4.341 -10.122 1.00 42.51 C ATOM 693 CG PHE A 44 13.507 -5.635 -10.336 1.00 61.10 C ATOM 694 CD1 PHE A 44 14.654 -5.926 -9.615 1.00 33.13 C ATOM 695 CD2 PHE A 44 13.048 -6.561 -11.259 1.00 12.10 C ATOM 696 CE1 PHE A 44 15.329 -7.117 -9.809 1.00 15.32 C ATOM 697 CE2 PHE A 44 13.718 -7.753 -11.457 1.00 61.21 C ATOM 698 CZ PHE A 44 14.861 -8.031 -10.732 1.00 55.11 C ATOM 0 H PHE A 44 13.342 -3.058 -7.973 1.00 1.51 H new ATOM 0 HA PHE A 44 14.609 -3.326 -10.606 1.00 75.10 H new ATOM 0 HB2 PHE A 44 12.194 -4.409 -9.203 1.00 42.51 H new ATOM 0 HB3 PHE A 44 12.068 -4.194 -10.937 1.00 42.51 H new ATOM 0 HD1 PHE A 44 15.025 -5.214 -8.893 1.00 33.13 H new ATOM 0 HD2 PHE A 44 12.156 -6.349 -11.830 1.00 12.10 H new ATOM 0 HE1 PHE A 44 16.221 -7.332 -9.239 1.00 15.32 H new ATOM 0 HE2 PHE A 44 13.349 -8.467 -12.178 1.00 61.21 H new ATOM 0 HZ PHE A 44 15.387 -8.961 -10.887 1.00 55.11 H new ATOM 708 N ASP A 45 12.618 -2.023 -11.907 1.00 50.44 N ATOM 709 CA ASP A 45 11.947 -0.931 -12.604 1.00 61.21 C ATOM 710 C ASP A 45 10.602 -1.387 -13.161 1.00 63.53 C ATOM 711 O ASP A 45 9.594 -0.695 -13.023 1.00 4.54 O ATOM 712 CB ASP A 45 12.829 -0.402 -13.736 1.00 50.20 C ATOM 713 CG ASP A 45 14.058 0.321 -13.222 1.00 44.33 C ATOM 714 OD1 ASP A 45 13.907 1.203 -12.351 1.00 31.30 O ATOM 715 OD2 ASP A 45 15.172 0.006 -13.692 1.00 41.51 O ATOM 0 H ASP A 45 12.751 -2.863 -12.469 1.00 50.44 H new ATOM 0 HA ASP A 45 11.770 -0.129 -11.887 1.00 61.21 H new ATOM 0 HB2 ASP A 45 13.138 -1.233 -14.370 1.00 50.20 H new ATOM 0 HB3 ASP A 45 12.247 0.276 -14.360 1.00 50.20 H new ATOM 720 N SER A 46 10.595 -2.557 -13.793 1.00 21.02 N ATOM 721 CA SER A 46 9.375 -3.104 -14.376 1.00 3.35 C ATOM 722 C SER A 46 8.949 -4.376 -13.650 1.00 25.33 C ATOM 723 O SER A 46 9.787 -5.168 -13.216 1.00 71.42 O ATOM 724 CB SER A 46 9.582 -3.396 -15.863 1.00 20.21 C ATOM 725 OG SER A 46 8.373 -3.242 -16.586 1.00 31.42 O ATOM 0 H SER A 46 11.420 -3.144 -13.914 1.00 21.02 H new ATOM 0 HA SER A 46 8.584 -2.362 -14.266 1.00 3.35 H new ATOM 0 HB2 SER A 46 10.339 -2.724 -16.267 1.00 20.21 H new ATOM 0 HB3 SER A 46 9.958 -4.411 -15.989 1.00 20.21 H new ATOM 0 HG SER A 46 8.532 -3.433 -17.534 1.00 31.42 H new ATOM 731 N THR A 47 7.640 -4.566 -13.520 1.00 60.55 N ATOM 732 CA THR A 47 7.101 -5.741 -12.847 1.00 21.13 C ATOM 733 C THR A 47 7.364 -7.007 -13.654 1.00 71.02 C ATOM 734 O THR A 47 7.576 -8.080 -13.091 1.00 30.13 O ATOM 735 CB THR A 47 5.586 -5.605 -12.606 1.00 11.33 C ATOM 736 OG1 THR A 47 5.221 -4.221 -12.551 1.00 60.14 O ATOM 737 CG2 THR A 47 5.180 -6.293 -11.311 1.00 52.31 C ATOM 0 H THR A 47 6.933 -3.921 -13.872 1.00 60.55 H new ATOM 0 HA THR A 47 7.609 -5.815 -11.886 1.00 21.13 H new ATOM 0 HB THR A 47 5.064 -6.086 -13.434 1.00 11.33 H new ATOM 0 HG1 THR A 47 4.256 -4.143 -12.399 1.00 60.14 H new ATOM 0 HG21 THR A 47 4.106 -6.184 -11.162 1.00 52.31 H new ATOM 0 HG22 THR A 47 5.433 -7.352 -11.367 1.00 52.31 H new ATOM 0 HG23 THR A 47 5.710 -5.837 -10.475 1.00 52.31 H new ATOM 745 N GLU A 48 7.349 -6.874 -14.977 1.00 12.32 N ATOM 746 CA GLU A 48 7.586 -8.009 -15.861 1.00 54.31 C ATOM 747 C GLU A 48 8.879 -8.728 -15.488 1.00 75.42 C ATOM 748 O GLU A 48 8.868 -9.916 -15.167 1.00 24.24 O ATOM 749 CB GLU A 48 7.649 -7.544 -17.318 1.00 24.34 C ATOM 750 CG GLU A 48 7.328 -8.640 -18.320 1.00 42.34 C ATOM 751 CD GLU A 48 7.030 -8.095 -19.704 1.00 21.12 C ATOM 752 OE1 GLU A 48 7.930 -7.468 -20.300 1.00 43.52 O ATOM 753 OE2 GLU A 48 5.898 -8.296 -20.190 1.00 14.12 O ATOM 0 H GLU A 48 7.175 -5.992 -15.459 1.00 12.32 H new ATOM 0 HA GLU A 48 6.757 -8.707 -15.746 1.00 54.31 H new ATOM 0 HB2 GLU A 48 6.950 -6.719 -17.458 1.00 24.34 H new ATOM 0 HB3 GLU A 48 8.646 -7.155 -17.524 1.00 24.34 H new ATOM 0 HG2 GLU A 48 8.169 -9.331 -18.379 1.00 42.34 H new ATOM 0 HG3 GLU A 48 6.470 -9.211 -17.966 1.00 42.34 H new ATOM 760 N GLN A 49 9.989 -8.000 -15.535 1.00 1.43 N ATOM 761 CA GLN A 49 11.290 -8.569 -15.203 1.00 50.41 C ATOM 762 C GLN A 49 11.311 -9.077 -13.766 1.00 23.35 C ATOM 763 O GLN A 49 12.087 -9.971 -13.423 1.00 73.25 O ATOM 764 CB GLN A 49 12.392 -7.527 -15.404 1.00 60.14 C ATOM 765 CG GLN A 49 12.089 -6.187 -14.754 1.00 30.14 C ATOM 766 CD GLN A 49 13.319 -5.311 -14.622 1.00 51.32 C ATOM 767 OE1 GLN A 49 13.316 -4.151 -15.036 1.00 11.24 O ATOM 768 NE2 GLN A 49 14.380 -5.862 -14.044 1.00 52.30 N ATOM 0 H GLN A 49 10.014 -7.015 -15.800 1.00 1.43 H new ATOM 0 HA GLN A 49 11.471 -9.412 -15.870 1.00 50.41 H new ATOM 0 HB2 GLN A 49 13.326 -7.915 -14.998 1.00 60.14 H new ATOM 0 HB3 GLN A 49 12.547 -7.376 -16.472 1.00 60.14 H new ATOM 0 HG2 GLN A 49 11.336 -5.663 -15.344 1.00 30.14 H new ATOM 0 HG3 GLN A 49 11.660 -6.355 -13.766 1.00 30.14 H new ATOM 0 HE21 GLN A 49 14.338 -6.827 -13.716 1.00 52.30 H new ATOM 0 HE22 GLN A 49 15.237 -5.320 -13.928 1.00 52.30 H new ATOM 777 N LEU A 50 10.456 -8.503 -12.927 1.00 52.33 N ATOM 778 CA LEU A 50 10.376 -8.898 -11.525 1.00 42.32 C ATOM 779 C LEU A 50 10.006 -10.372 -11.395 1.00 2.31 C ATOM 780 O LEU A 50 10.750 -11.158 -10.809 1.00 74.11 O ATOM 781 CB LEU A 50 9.349 -8.035 -10.790 1.00 20.45 C ATOM 782 CG LEU A 50 9.605 -7.811 -9.299 1.00 23.32 C ATOM 783 CD1 LEU A 50 8.514 -6.941 -8.695 1.00 22.25 C ATOM 784 CD2 LEU A 50 9.695 -9.142 -8.567 1.00 70.50 C ATOM 0 H LEU A 50 9.808 -7.762 -13.193 1.00 52.33 H new ATOM 0 HA LEU A 50 11.357 -8.748 -11.074 1.00 42.32 H new ATOM 0 HB2 LEU A 50 9.303 -7.063 -11.281 1.00 20.45 H new ATOM 0 HB3 LEU A 50 8.368 -8.496 -10.905 1.00 20.45 H new ATOM 0 HG LEU A 50 10.558 -7.293 -9.187 1.00 23.32 H new ATOM 0 HD11 LEU A 50 8.713 -6.792 -7.634 1.00 22.25 H new ATOM 0 HD12 LEU A 50 8.498 -5.975 -9.200 1.00 22.25 H new ATOM 0 HD13 LEU A 50 7.548 -7.431 -8.818 1.00 22.25 H new ATOM 0 HD21 LEU A 50 9.877 -8.963 -7.507 1.00 70.50 H new ATOM 0 HD22 LEU A 50 8.759 -9.687 -8.687 1.00 70.50 H new ATOM 0 HD23 LEU A 50 10.513 -9.731 -8.982 1.00 70.50 H new ATOM 796 N GLU A 51 8.854 -10.738 -11.947 1.00 32.50 N ATOM 797 CA GLU A 51 8.387 -12.119 -11.893 1.00 52.20 C ATOM 798 C GLU A 51 9.288 -13.031 -12.720 1.00 5.10 C ATOM 799 O GLU A 51 9.482 -14.200 -12.385 1.00 53.43 O ATOM 800 CB GLU A 51 6.946 -12.213 -12.399 1.00 32.22 C ATOM 801 CG GLU A 51 5.997 -11.241 -11.719 1.00 1.44 C ATOM 802 CD GLU A 51 4.670 -11.119 -12.441 1.00 55.23 C ATOM 803 OE1 GLU A 51 4.553 -11.659 -13.561 1.00 51.34 O ATOM 804 OE2 GLU A 51 3.748 -10.484 -11.887 1.00 50.15 O ATOM 0 H GLU A 51 8.227 -10.099 -12.436 1.00 32.50 H new ATOM 0 HA GLU A 51 8.422 -12.447 -10.854 1.00 52.20 H new ATOM 0 HB2 GLU A 51 6.934 -12.028 -13.473 1.00 32.22 H new ATOM 0 HB3 GLU A 51 6.582 -13.229 -12.247 1.00 32.22 H new ATOM 0 HG2 GLU A 51 5.820 -11.569 -10.695 1.00 1.44 H new ATOM 0 HG3 GLU A 51 6.467 -10.259 -11.663 1.00 1.44 H new ATOM 811 N SER A 52 9.837 -12.488 -13.802 1.00 1.20 N ATOM 812 CA SER A 52 10.715 -13.253 -14.680 1.00 12.21 C ATOM 813 C SER A 52 11.968 -13.704 -13.936 1.00 44.42 C ATOM 814 O SER A 52 12.491 -14.791 -14.181 1.00 41.11 O ATOM 815 CB SER A 52 11.105 -12.417 -15.900 1.00 40.24 C ATOM 816 OG SER A 52 11.693 -13.225 -16.905 1.00 42.20 O ATOM 0 H SER A 52 9.689 -11.521 -14.092 1.00 1.20 H new ATOM 0 HA SER A 52 10.173 -14.138 -15.013 1.00 12.21 H new ATOM 0 HB2 SER A 52 10.222 -11.918 -16.300 1.00 40.24 H new ATOM 0 HB3 SER A 52 11.804 -11.636 -15.601 1.00 40.24 H new ATOM 0 HG SER A 52 11.932 -12.667 -17.675 1.00 42.20 H new ATOM 822 N TRP A 53 12.445 -12.860 -13.028 1.00 34.23 N ATOM 823 CA TRP A 53 13.637 -13.171 -12.248 1.00 1.25 C ATOM 824 C TRP A 53 13.423 -14.421 -11.401 1.00 45.20 C ATOM 825 O TRP A 53 14.204 -15.370 -11.470 1.00 63.34 O ATOM 826 CB TRP A 53 14.006 -11.989 -11.350 1.00 5.13 C ATOM 827 CG TRP A 53 14.859 -12.376 -10.180 1.00 5.44 C ATOM 828 CD1 TRP A 53 14.639 -12.068 -8.867 1.00 74.53 C ATOM 829 CD2 TRP A 53 16.070 -13.139 -10.217 1.00 31.43 C ATOM 830 NE1 TRP A 53 15.639 -12.595 -8.086 1.00 71.44 N ATOM 831 CE2 TRP A 53 16.529 -13.258 -8.890 1.00 53.31 C ATOM 832 CE3 TRP A 53 16.810 -13.737 -11.241 1.00 14.41 C ATOM 833 CZ2 TRP A 53 17.693 -13.947 -8.564 1.00 64.54 C ATOM 834 CZ3 TRP A 53 17.966 -14.421 -10.916 1.00 15.50 C ATOM 835 CH2 TRP A 53 18.398 -14.522 -9.587 1.00 60.20 C ATOM 0 H TRP A 53 12.025 -11.956 -12.814 1.00 34.23 H new ATOM 0 HA TRP A 53 14.456 -13.361 -12.942 1.00 1.25 H new ATOM 0 HB2 TRP A 53 14.533 -11.242 -11.943 1.00 5.13 H new ATOM 0 HB3 TRP A 53 13.092 -11.520 -10.985 1.00 5.13 H new ATOM 0 HD1 TRP A 53 13.802 -11.494 -8.497 1.00 74.53 H new ATOM 0 HE1 TRP A 53 15.708 -12.507 -7.072 1.00 71.44 H new ATOM 0 HE3 TRP A 53 16.484 -13.666 -12.268 1.00 14.41 H new ATOM 0 HZ2 TRP A 53 18.028 -14.025 -7.540 1.00 64.54 H new ATOM 0 HZ3 TRP A 53 18.546 -14.885 -11.700 1.00 15.50 H new ATOM 0 HH2 TRP A 53 19.305 -15.064 -9.365 1.00 60.20 H new ATOM 846 N PHE A 54 12.361 -14.415 -10.602 1.00 44.03 N ATOM 847 CA PHE A 54 12.046 -15.549 -9.742 1.00 31.04 C ATOM 848 C PHE A 54 11.451 -16.697 -10.551 1.00 75.32 C ATOM 849 O PHE A 54 11.238 -17.793 -10.031 1.00 51.03 O ATOM 850 CB PHE A 54 11.070 -15.126 -8.642 1.00 11.32 C ATOM 851 CG PHE A 54 10.605 -16.266 -7.781 1.00 42.24 C ATOM 852 CD1 PHE A 54 11.412 -16.761 -6.770 1.00 20.41 C ATOM 853 CD2 PHE A 54 9.362 -16.842 -7.985 1.00 33.25 C ATOM 854 CE1 PHE A 54 10.987 -17.810 -5.976 1.00 23.10 C ATOM 855 CE2 PHE A 54 8.932 -17.891 -7.194 1.00 15.24 C ATOM 856 CZ PHE A 54 9.746 -18.376 -6.189 1.00 33.20 C ATOM 0 H PHE A 54 11.704 -13.638 -10.532 1.00 44.03 H new ATOM 0 HA PHE A 54 12.973 -15.894 -9.284 1.00 31.04 H new ATOM 0 HB2 PHE A 54 11.549 -14.377 -8.011 1.00 11.32 H new ATOM 0 HB3 PHE A 54 10.203 -14.650 -9.100 1.00 11.32 H new ATOM 0 HD1 PHE A 54 12.384 -16.323 -6.600 1.00 20.41 H new ATOM 0 HD2 PHE A 54 8.722 -16.468 -8.770 1.00 33.25 H new ATOM 0 HE1 PHE A 54 11.625 -18.186 -5.190 1.00 23.10 H new ATOM 0 HE2 PHE A 54 7.960 -18.331 -7.362 1.00 15.24 H new ATOM 0 HZ PHE A 54 9.412 -19.196 -5.571 1.00 33.20 H new ATOM 866 N TYR A 55 11.183 -16.438 -11.826 1.00 44.22 N ATOM 867 CA TYR A 55 10.610 -17.448 -12.708 1.00 12.52 C ATOM 868 C TYR A 55 11.592 -17.829 -13.811 1.00 21.11 C ATOM 869 O TYR A 55 11.671 -17.167 -14.845 1.00 15.34 O ATOM 870 CB TYR A 55 9.307 -16.936 -13.324 1.00 51.44 C ATOM 871 CG TYR A 55 8.473 -18.021 -13.967 1.00 24.43 C ATOM 872 CD1 TYR A 55 8.946 -18.728 -15.066 1.00 32.33 C ATOM 873 CD2 TYR A 55 7.213 -18.340 -13.475 1.00 44.35 C ATOM 874 CE1 TYR A 55 8.188 -19.721 -15.656 1.00 54.34 C ATOM 875 CE2 TYR A 55 6.449 -19.331 -14.059 1.00 31.42 C ATOM 876 CZ TYR A 55 6.940 -20.019 -15.149 1.00 42.10 C ATOM 877 OH TYR A 55 6.181 -21.007 -15.734 1.00 1.52 O ATOM 0 H TYR A 55 11.353 -15.537 -12.272 1.00 44.22 H new ATOM 0 HA TYR A 55 10.399 -18.336 -12.113 1.00 12.52 H new ATOM 0 HB2 TYR A 55 8.717 -16.447 -12.549 1.00 51.44 H new ATOM 0 HB3 TYR A 55 9.542 -16.179 -14.072 1.00 51.44 H new ATOM 0 HD1 TYR A 55 9.922 -18.497 -15.466 1.00 32.33 H new ATOM 0 HD2 TYR A 55 6.825 -17.804 -12.622 1.00 44.35 H new ATOM 0 HE1 TYR A 55 8.570 -20.261 -16.510 1.00 54.34 H new ATOM 0 HE2 TYR A 55 5.472 -19.566 -13.664 1.00 31.42 H new ATOM 0 HH TYR A 55 5.330 -21.092 -15.256 1.00 1.52 H new ATOM 887 N GLY A 56 12.340 -18.904 -13.582 1.00 65.23 N ATOM 888 CA GLY A 56 13.308 -19.357 -14.565 1.00 31.24 C ATOM 889 C GLY A 56 14.585 -19.869 -13.928 1.00 12.32 C ATOM 890 O GLY A 56 15.357 -20.590 -14.560 1.00 62.23 O ATOM 0 H GLY A 56 12.293 -19.469 -12.734 1.00 65.23 H new ATOM 0 HA2 GLY A 56 12.864 -20.148 -15.169 1.00 31.24 H new ATOM 0 HA3 GLY A 56 13.547 -18.536 -15.241 1.00 31.24 H new ATOM 894 N LEU A 57 14.810 -19.494 -12.673 1.00 55.13 N ATOM 895 CA LEU A 57 16.003 -19.918 -11.950 1.00 64.12 C ATOM 896 C LEU A 57 16.175 -21.432 -12.022 1.00 74.15 C ATOM 897 O LEU A 57 15.219 -22.180 -12.228 1.00 72.41 O ATOM 898 CB LEU A 57 15.924 -19.471 -10.489 1.00 65.53 C ATOM 899 CG LEU A 57 16.156 -17.983 -10.229 1.00 45.32 C ATOM 900 CD1 LEU A 57 15.388 -17.530 -8.997 1.00 41.03 C ATOM 901 CD2 LEU A 57 17.642 -17.694 -10.069 1.00 61.41 C ATOM 0 H LEU A 57 14.181 -18.897 -12.136 1.00 55.13 H new ATOM 0 HA LEU A 57 16.868 -19.450 -12.420 1.00 64.12 H new ATOM 0 HB2 LEU A 57 14.941 -19.738 -10.101 1.00 65.53 H new ATOM 0 HB3 LEU A 57 16.658 -20.038 -9.916 1.00 65.53 H new ATOM 0 HG LEU A 57 15.788 -17.423 -11.088 1.00 45.32 H new ATOM 0 HD11 LEU A 57 15.565 -16.468 -8.828 1.00 41.03 H new ATOM 0 HD12 LEU A 57 14.322 -17.700 -9.150 1.00 41.03 H new ATOM 0 HD13 LEU A 57 15.725 -18.097 -8.129 1.00 41.03 H new ATOM 0 HD21 LEU A 57 17.788 -16.630 -9.885 1.00 61.41 H new ATOM 0 HD22 LEU A 57 18.035 -18.265 -9.228 1.00 61.41 H new ATOM 0 HD23 LEU A 57 18.168 -17.980 -10.980 1.00 61.41 H new ATOM 913 N PRO A 58 17.421 -21.896 -11.847 1.00 51.04 N ATOM 914 CA PRO A 58 17.746 -23.325 -11.886 1.00 3.24 C ATOM 915 C PRO A 58 17.192 -24.078 -10.681 1.00 73.14 C ATOM 916 O PRO A 58 17.206 -25.308 -10.646 1.00 3.24 O ATOM 917 CB PRO A 58 19.277 -23.341 -11.868 1.00 11.53 C ATOM 918 CG PRO A 58 19.661 -22.061 -11.208 1.00 21.43 C ATOM 919 CD PRO A 58 18.608 -21.061 -11.598 1.00 62.40 C ATOM 0 HA PRO A 58 17.311 -23.819 -12.755 1.00 3.24 H new ATOM 0 HB2 PRO A 58 19.658 -24.201 -11.316 1.00 11.53 H new ATOM 0 HB3 PRO A 58 19.684 -23.404 -12.877 1.00 11.53 H new ATOM 0 HG2 PRO A 58 19.706 -22.178 -10.125 1.00 21.43 H new ATOM 0 HG3 PRO A 58 20.649 -21.735 -11.534 1.00 21.43 H new ATOM 0 HD2 PRO A 58 18.430 -20.335 -10.805 1.00 62.40 H new ATOM 0 HD3 PRO A 58 18.897 -20.498 -12.486 1.00 62.40 H new ATOM 927 N GLY A 59 16.702 -23.332 -9.696 1.00 3.41 N ATOM 928 CA GLY A 59 16.149 -23.947 -8.504 1.00 3.24 C ATOM 929 C GLY A 59 14.770 -24.531 -8.739 1.00 5.13 C ATOM 930 O GLY A 59 14.151 -24.280 -9.772 1.00 54.12 O ATOM 0 H GLY A 59 16.678 -22.312 -9.702 1.00 3.41 H new ATOM 0 HA2 GLY A 59 16.820 -24.734 -8.161 1.00 3.24 H new ATOM 0 HA3 GLY A 59 16.095 -23.205 -7.708 1.00 3.24 H new ATOM 934 N SER A 60 14.289 -25.314 -7.778 1.00 44.23 N ATOM 935 CA SER A 60 12.977 -25.940 -7.888 1.00 61.12 C ATOM 936 C SER A 60 12.585 -26.614 -6.577 1.00 23.12 C ATOM 937 O SER A 60 13.434 -27.139 -5.858 1.00 4.35 O ATOM 938 CB SER A 60 12.971 -26.966 -9.024 1.00 5.45 C ATOM 939 OG SER A 60 13.320 -28.254 -8.548 1.00 74.43 O ATOM 0 H SER A 60 14.788 -25.530 -6.915 1.00 44.23 H new ATOM 0 HA SER A 60 12.247 -25.161 -8.108 1.00 61.12 H new ATOM 0 HB2 SER A 60 11.983 -27.000 -9.483 1.00 5.45 H new ATOM 0 HB3 SER A 60 13.672 -26.659 -9.800 1.00 5.45 H new ATOM 0 HG SER A 60 13.308 -28.892 -9.292 1.00 74.43 H new ATOM 945 N GLY A 61 11.291 -26.595 -6.272 1.00 61.34 N ATOM 946 CA GLY A 61 10.808 -27.207 -5.048 1.00 71.14 C ATOM 947 C GLY A 61 11.567 -26.733 -3.825 1.00 35.13 C ATOM 948 O GLY A 61 12.374 -27.473 -3.260 1.00 15.20 O ATOM 0 H GLY A 61 10.569 -26.167 -6.851 1.00 61.34 H new ATOM 0 HA2 GLY A 61 9.749 -26.980 -4.925 1.00 71.14 H new ATOM 0 HA3 GLY A 61 10.895 -28.291 -5.128 1.00 71.14 H new ATOM 952 N LEU A 62 11.310 -25.496 -3.414 1.00 34.21 N ATOM 953 CA LEU A 62 11.976 -24.923 -2.249 1.00 53.15 C ATOM 954 C LEU A 62 13.489 -24.911 -2.439 1.00 22.54 C ATOM 955 O LEU A 62 14.245 -24.809 -1.473 1.00 71.32 O ATOM 956 CB LEU A 62 11.614 -25.712 -0.990 1.00 75.22 C ATOM 957 CG LEU A 62 10.128 -26.012 -0.790 1.00 55.20 C ATOM 958 CD1 LEU A 62 9.907 -27.502 -0.579 1.00 1.41 C ATOM 959 CD2 LEU A 62 9.577 -25.217 0.385 1.00 31.54 C ATOM 0 H LEU A 62 10.646 -24.871 -3.870 1.00 34.21 H new ATOM 0 HA LEU A 62 11.634 -23.894 -2.135 1.00 53.15 H new ATOM 0 HB2 LEU A 62 12.156 -26.658 -1.010 1.00 75.22 H new ATOM 0 HB3 LEU A 62 11.972 -25.158 -0.123 1.00 75.22 H new ATOM 0 HG LEU A 62 9.592 -25.711 -1.690 1.00 55.20 H new ATOM 0 HD11 LEU A 62 8.844 -27.696 -0.438 1.00 1.41 H new ATOM 0 HD12 LEU A 62 10.264 -28.050 -1.451 1.00 1.41 H new ATOM 0 HD13 LEU A 62 10.455 -27.830 0.304 1.00 1.41 H new ATOM 0 HD21 LEU A 62 8.518 -25.443 0.513 1.00 31.54 H new ATOM 0 HD22 LEU A 62 10.118 -25.487 1.292 1.00 31.54 H new ATOM 0 HD23 LEU A 62 9.700 -24.151 0.193 1.00 31.54 H new ATOM 971 N GLY A 63 13.925 -25.015 -3.691 1.00 20.15 N ATOM 972 CA GLY A 63 15.346 -25.013 -3.984 1.00 3.42 C ATOM 973 C GLY A 63 15.846 -23.650 -4.422 1.00 35.03 C ATOM 974 O GLY A 63 16.921 -23.214 -4.010 1.00 15.31 O ATOM 0 H GLY A 63 13.319 -25.101 -4.507 1.00 20.15 H new ATOM 0 HA2 GLY A 63 15.897 -25.331 -3.099 1.00 3.42 H new ATOM 0 HA3 GLY A 63 15.553 -25.742 -4.768 1.00 3.42 H new ATOM 978 N ARG A 64 15.065 -22.977 -5.260 1.00 55.22 N ATOM 979 CA ARG A 64 15.435 -21.657 -5.757 1.00 21.04 C ATOM 980 C ARG A 64 15.349 -20.615 -4.646 1.00 3.53 C ATOM 981 O ARG A 64 15.916 -19.527 -4.757 1.00 1.03 O ATOM 982 CB ARG A 64 14.528 -21.253 -6.920 1.00 61.35 C ATOM 983 CG ARG A 64 13.137 -20.821 -6.487 1.00 33.50 C ATOM 984 CD ARG A 64 12.229 -20.585 -7.684 1.00 34.54 C ATOM 985 NE ARG A 64 11.674 -21.832 -8.204 1.00 70.21 N ATOM 986 CZ ARG A 64 10.609 -22.435 -7.688 1.00 12.13 C ATOM 987 NH1 ARG A 64 9.986 -21.908 -6.642 1.00 44.44 N ATOM 988 NH2 ARG A 64 10.164 -23.567 -8.217 1.00 71.32 N ATOM 0 H ARG A 64 14.172 -23.324 -5.609 1.00 55.22 H new ATOM 0 HA ARG A 64 16.465 -21.705 -6.109 1.00 21.04 H new ATOM 0 HB2 ARG A 64 14.998 -20.437 -7.469 1.00 61.35 H new ATOM 0 HB3 ARG A 64 14.440 -22.093 -7.610 1.00 61.35 H new ATOM 0 HG2 ARG A 64 12.701 -21.585 -5.844 1.00 33.50 H new ATOM 0 HG3 ARG A 64 13.206 -19.908 -5.896 1.00 33.50 H new ATOM 0 HD2 ARG A 64 11.416 -19.918 -7.396 1.00 34.54 H new ATOM 0 HD3 ARG A 64 12.790 -20.082 -8.471 1.00 34.54 H new ATOM 0 HE ARG A 64 12.130 -22.264 -9.008 1.00 70.21 H new ATOM 0 HH11 ARG A 64 10.325 -21.038 -6.232 1.00 44.44 H new ATOM 0 HH12 ARG A 64 9.168 -22.373 -6.248 1.00 44.44 H new ATOM 0 HH21 ARG A 64 10.640 -23.976 -9.021 1.00 71.32 H new ATOM 0 HH22 ARG A 64 9.346 -24.029 -7.819 1.00 71.32 H new ATOM 1002 N ILE A 65 14.637 -20.954 -3.577 1.00 22.15 N ATOM 1003 CA ILE A 65 14.478 -20.048 -2.446 1.00 2.10 C ATOM 1004 C ILE A 65 15.824 -19.491 -1.994 1.00 51.13 C ATOM 1005 O ILE A 65 15.919 -18.339 -1.572 1.00 22.23 O ATOM 1006 CB ILE A 65 13.799 -20.748 -1.254 1.00 61.42 C ATOM 1007 CG1 ILE A 65 12.448 -21.328 -1.678 1.00 12.13 C ATOM 1008 CG2 ILE A 65 13.625 -19.776 -0.097 1.00 44.02 C ATOM 1009 CD1 ILE A 65 11.462 -20.281 -2.148 1.00 63.33 C ATOM 0 H ILE A 65 14.161 -21.850 -3.470 1.00 22.15 H new ATOM 0 HA ILE A 65 13.844 -19.229 -2.785 1.00 2.10 H new ATOM 0 HB ILE A 65 14.437 -21.567 -0.921 1.00 61.42 H new ATOM 0 HG12 ILE A 65 12.607 -22.051 -2.478 1.00 12.13 H new ATOM 0 HG13 ILE A 65 12.015 -21.872 -0.838 1.00 12.13 H new ATOM 0 HG21 ILE A 65 13.144 -20.286 0.737 1.00 44.02 H new ATOM 0 HG22 ILE A 65 14.601 -19.407 0.218 1.00 44.02 H new ATOM 0 HG23 ILE A 65 13.005 -18.938 -0.416 1.00 44.02 H new ATOM 0 HD11 ILE A 65 10.527 -20.764 -2.433 1.00 63.33 H new ATOM 0 HD12 ILE A 65 11.274 -19.571 -1.343 1.00 63.33 H new ATOM 0 HD13 ILE A 65 11.874 -19.753 -3.008 1.00 63.33 H new ATOM 1021 N GLU A 66 16.862 -20.316 -2.089 1.00 33.44 N ATOM 1022 CA GLU A 66 18.203 -19.905 -1.690 1.00 72.03 C ATOM 1023 C GLU A 66 18.933 -19.233 -2.850 1.00 33.31 C ATOM 1024 O GLU A 66 19.749 -18.336 -2.647 1.00 25.15 O ATOM 1025 CB GLU A 66 19.005 -21.111 -1.198 1.00 63.35 C ATOM 1026 CG GLU A 66 19.479 -22.025 -2.317 1.00 15.41 C ATOM 1027 CD GLU A 66 19.629 -23.466 -1.869 1.00 51.52 C ATOM 1028 OE1 GLU A 66 20.491 -23.731 -1.006 1.00 4.13 O ATOM 1029 OE2 GLU A 66 18.885 -24.327 -2.382 1.00 21.41 O ATOM 0 H GLU A 66 16.800 -21.272 -2.439 1.00 33.44 H new ATOM 0 HA GLU A 66 18.108 -19.185 -0.877 1.00 72.03 H new ATOM 0 HB2 GLU A 66 19.871 -20.757 -0.638 1.00 63.35 H new ATOM 0 HB3 GLU A 66 18.391 -21.687 -0.505 1.00 63.35 H new ATOM 0 HG2 GLU A 66 18.771 -21.977 -3.144 1.00 15.41 H new ATOM 0 HG3 GLU A 66 20.436 -21.664 -2.695 1.00 15.41 H new ATOM 1036 N ASN A 67 18.632 -19.675 -4.067 1.00 34.54 N ATOM 1037 CA ASN A 67 19.259 -19.118 -5.259 1.00 64.53 C ATOM 1038 C ASN A 67 18.825 -17.672 -5.478 1.00 32.41 C ATOM 1039 O ASN A 67 19.657 -16.770 -5.565 1.00 11.15 O ATOM 1040 CB ASN A 67 18.906 -19.960 -6.487 1.00 62.12 C ATOM 1041 CG ASN A 67 19.840 -21.141 -6.667 1.00 24.11 C ATOM 1042 OD1 ASN A 67 21.010 -20.975 -7.014 1.00 53.42 O ATOM 1043 ND2 ASN A 67 19.327 -22.343 -6.431 1.00 11.23 N ATOM 0 H ASN A 67 17.958 -20.417 -4.253 1.00 34.54 H new ATOM 0 HA ASN A 67 20.339 -19.136 -5.113 1.00 64.53 H new ATOM 0 HB2 ASN A 67 17.882 -20.321 -6.394 1.00 62.12 H new ATOM 0 HB3 ASN A 67 18.943 -19.332 -7.377 1.00 62.12 H new ATOM 0 HD21 ASN A 67 19.908 -23.175 -6.535 1.00 11.23 H new ATOM 0 HD22 ASN A 67 18.352 -22.434 -6.145 1.00 11.23 H new ATOM 1050 N ALA A 68 17.516 -17.461 -5.566 1.00 13.43 N ATOM 1051 CA ALA A 68 16.970 -16.125 -5.771 1.00 42.33 C ATOM 1052 C ALA A 68 17.256 -15.225 -4.574 1.00 11.31 C ATOM 1053 O ALA A 68 17.277 -14.000 -4.697 1.00 61.50 O ATOM 1054 CB ALA A 68 15.473 -16.200 -6.032 1.00 20.31 C ATOM 0 H ALA A 68 16.814 -18.198 -5.499 1.00 13.43 H new ATOM 0 HA ALA A 68 17.458 -15.691 -6.644 1.00 42.33 H new ATOM 0 HB1 ALA A 68 15.079 -15.195 -6.183 1.00 20.31 H new ATOM 0 HB2 ALA A 68 15.289 -16.800 -6.923 1.00 20.31 H new ATOM 0 HB3 ALA A 68 14.977 -16.659 -5.177 1.00 20.31 H new ATOM 1060 N MET A 69 17.474 -15.840 -3.416 1.00 42.42 N ATOM 1061 CA MET A 69 17.759 -15.093 -2.196 1.00 41.25 C ATOM 1062 C MET A 69 19.225 -14.676 -2.144 1.00 44.54 C ATOM 1063 O MET A 69 19.542 -13.522 -1.859 1.00 40.40 O ATOM 1064 CB MET A 69 17.412 -15.933 -0.966 1.00 13.42 C ATOM 1065 CG MET A 69 17.880 -15.316 0.342 1.00 30.35 C ATOM 1066 SD MET A 69 17.620 -16.406 1.756 1.00 42.44 S ATOM 1067 CE MET A 69 15.926 -16.919 1.481 1.00 43.33 C ATOM 0 H MET A 69 17.459 -16.853 -3.297 1.00 42.42 H new ATOM 0 HA MET A 69 17.144 -14.193 -2.198 1.00 41.25 H new ATOM 0 HB2 MET A 69 16.332 -16.075 -0.926 1.00 13.42 H new ATOM 0 HB3 MET A 69 17.859 -16.921 -1.073 1.00 13.42 H new ATOM 0 HG2 MET A 69 18.940 -15.072 0.266 1.00 30.35 H new ATOM 0 HG3 MET A 69 17.349 -14.379 0.508 1.00 30.35 H new ATOM 0 HE1 MET A 69 15.779 -17.921 1.884 1.00 43.33 H new ATOM 0 HE2 MET A 69 15.250 -16.224 1.980 1.00 43.33 H new ATOM 0 HE3 MET A 69 15.716 -16.924 0.411 1.00 43.33 H new ATOM 1077 N ASN A 70 20.116 -15.623 -2.422 1.00 13.42 N ATOM 1078 CA ASN A 70 21.549 -15.353 -2.405 1.00 51.35 C ATOM 1079 C ASN A 70 21.936 -14.401 -3.533 1.00 50.31 C ATOM 1080 O ASN A 70 23.019 -13.817 -3.521 1.00 11.34 O ATOM 1081 CB ASN A 70 22.336 -16.658 -2.532 1.00 63.33 C ATOM 1082 CG ASN A 70 23.832 -16.447 -2.401 1.00 1.55 C ATOM 1083 OD1 ASN A 70 24.323 -16.044 -1.345 1.00 72.35 O ATOM 1084 ND2 ASN A 70 24.565 -16.717 -3.475 1.00 13.14 N ATOM 0 H ASN A 70 19.871 -16.584 -2.662 1.00 13.42 H new ATOM 0 HA ASN A 70 21.794 -14.880 -1.454 1.00 51.35 H new ATOM 0 HB2 ASN A 70 22.002 -17.356 -1.765 1.00 63.33 H new ATOM 0 HB3 ASN A 70 22.120 -17.117 -3.497 1.00 63.33 H new ATOM 0 HD21 ASN A 70 25.577 -16.593 -3.446 1.00 13.14 H new ATOM 0 HD22 ASN A 70 24.116 -17.049 -4.329 1.00 13.14 H new ATOM 1091 N GLU A 71 21.043 -14.250 -4.506 1.00 14.11 N ATOM 1092 CA GLU A 71 21.291 -13.369 -5.641 1.00 5.11 C ATOM 1093 C GLU A 71 20.869 -11.938 -5.321 1.00 44.45 C ATOM 1094 O GLU A 71 21.604 -10.988 -5.593 1.00 40.52 O ATOM 1095 CB GLU A 71 20.542 -13.869 -6.877 1.00 60.44 C ATOM 1096 CG GLU A 71 21.453 -14.213 -8.044 1.00 2.12 C ATOM 1097 CD GLU A 71 21.494 -13.120 -9.094 1.00 1.42 C ATOM 1098 OE1 GLU A 71 20.445 -12.487 -9.333 1.00 52.34 O ATOM 1099 OE2 GLU A 71 22.577 -12.897 -9.676 1.00 34.13 O ATOM 0 H GLU A 71 20.141 -14.726 -4.531 1.00 14.11 H new ATOM 0 HA GLU A 71 22.361 -13.377 -5.847 1.00 5.11 H new ATOM 0 HB2 GLU A 71 19.962 -14.752 -6.607 1.00 60.44 H new ATOM 0 HB3 GLU A 71 19.832 -13.106 -7.194 1.00 60.44 H new ATOM 0 HG2 GLU A 71 22.462 -14.392 -7.672 1.00 2.12 H new ATOM 0 HG3 GLU A 71 21.113 -15.141 -8.504 1.00 2.12 H new ATOM 1106 N ILE A 72 19.682 -11.792 -4.744 1.00 34.41 N ATOM 1107 CA ILE A 72 19.162 -10.478 -4.387 1.00 72.21 C ATOM 1108 C ILE A 72 19.901 -9.903 -3.184 1.00 44.42 C ATOM 1109 O ILE A 72 19.949 -8.687 -2.995 1.00 61.12 O ATOM 1110 CB ILE A 72 17.656 -10.535 -4.070 1.00 73.44 C ATOM 1111 CG1 ILE A 72 16.871 -10.996 -5.300 1.00 72.04 C ATOM 1112 CG2 ILE A 72 17.162 -9.176 -3.598 1.00 73.15 C ATOM 1113 CD1 ILE A 72 16.906 -10.007 -6.445 1.00 34.25 C ATOM 0 H ILE A 72 19.061 -12.568 -4.513 1.00 34.41 H new ATOM 0 HA ILE A 72 19.319 -9.832 -5.251 1.00 72.21 H new ATOM 0 HB ILE A 72 17.495 -11.256 -3.269 1.00 73.44 H new ATOM 0 HG12 ILE A 72 17.274 -11.949 -5.642 1.00 72.04 H new ATOM 0 HG13 ILE A 72 15.834 -11.172 -5.014 1.00 72.04 H new ATOM 0 HG21 ILE A 72 16.096 -9.233 -3.378 1.00 73.15 H new ATOM 0 HG22 ILE A 72 17.703 -8.885 -2.698 1.00 73.15 H new ATOM 0 HG23 ILE A 72 17.332 -8.435 -4.379 1.00 73.15 H new ATOM 0 HD11 ILE A 72 16.329 -10.399 -7.282 1.00 34.25 H new ATOM 0 HD12 ILE A 72 16.476 -9.059 -6.121 1.00 34.25 H new ATOM 0 HD13 ILE A 72 17.938 -9.849 -6.758 1.00 34.25 H new ATOM 1125 N SER A 73 20.479 -10.784 -2.374 1.00 72.11 N ATOM 1126 CA SER A 73 21.215 -10.364 -1.188 1.00 21.14 C ATOM 1127 C SER A 73 22.558 -9.749 -1.571 1.00 33.11 C ATOM 1128 O SER A 73 23.264 -9.198 -0.726 1.00 40.05 O ATOM 1129 CB SER A 73 21.435 -11.553 -0.250 1.00 71.14 C ATOM 1130 OG SER A 73 21.612 -11.122 1.088 1.00 51.22 O ATOM 0 H SER A 73 20.452 -11.793 -2.518 1.00 72.11 H new ATOM 0 HA SER A 73 20.623 -9.608 -0.672 1.00 21.14 H new ATOM 0 HB2 SER A 73 20.581 -12.228 -0.308 1.00 71.14 H new ATOM 0 HB3 SER A 73 22.310 -12.117 -0.572 1.00 71.14 H new ATOM 0 HG SER A 73 22.202 -10.340 1.104 1.00 51.22 H new ATOM 1136 N ARG A 74 22.903 -9.848 -2.850 1.00 51.04 N ATOM 1137 CA ARG A 74 24.161 -9.303 -3.347 1.00 32.13 C ATOM 1138 C ARG A 74 23.982 -7.862 -3.815 1.00 71.03 C ATOM 1139 O ARG A 74 22.945 -7.244 -3.573 1.00 73.53 O ATOM 1140 CB ARG A 74 24.695 -10.161 -4.495 1.00 24.33 C ATOM 1141 CG ARG A 74 24.818 -11.636 -4.147 1.00 3.22 C ATOM 1142 CD ARG A 74 26.272 -12.049 -3.978 1.00 60.13 C ATOM 1143 NE ARG A 74 26.726 -11.903 -2.598 1.00 42.10 N ATOM 1144 CZ ARG A 74 27.997 -12.009 -2.228 1.00 5.44 C ATOM 1145 NH1 ARG A 74 28.936 -12.259 -3.130 1.00 72.51 N ATOM 1146 NH2 ARG A 74 28.332 -11.863 -0.952 1.00 4.31 N ATOM 0 H ARG A 74 22.329 -10.301 -3.562 1.00 51.04 H new ATOM 0 HA ARG A 74 24.881 -9.314 -2.529 1.00 32.13 H new ATOM 0 HB2 ARG A 74 24.035 -10.053 -5.356 1.00 24.33 H new ATOM 0 HB3 ARG A 74 25.673 -9.784 -4.795 1.00 24.33 H new ATOM 0 HG2 ARG A 74 24.271 -11.841 -3.227 1.00 3.22 H new ATOM 0 HG3 ARG A 74 24.357 -12.236 -4.932 1.00 3.22 H new ATOM 0 HD2 ARG A 74 26.393 -13.086 -4.291 1.00 60.13 H new ATOM 0 HD3 ARG A 74 26.899 -11.443 -4.632 1.00 60.13 H new ATOM 0 HE ARG A 74 26.029 -11.709 -1.879 1.00 42.10 H new ATOM 0 HH11 ARG A 74 28.683 -12.371 -4.112 1.00 72.51 H new ATOM 0 HH12 ARG A 74 29.911 -12.340 -2.842 1.00 72.51 H new ATOM 0 HH21 ARG A 74 27.613 -11.669 -0.255 1.00 4.31 H new ATOM 0 HH22 ARG A 74 29.308 -11.945 -0.669 1.00 4.31 H new