USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 591 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 1 MET N :NH3+ -120:sc= 0.184 (180deg=-4.77!) USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0.925 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00398 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.01) USER MOD Single : A 14 GLN : amide:sc=-0.000564 X(o=-0.00056,f=-0.059) USER MOD Single : A 16 THR OG1 : rot -63:sc= 0.892 USER MOD Single : A 17 SER OG : rot -57:sc= 0.673 USER MOD Single : A 19 THR OG1 : rot -174:sc= 0.174 USER MOD Single : A 22 ASN : amide:sc= -0.0409 X(o=-0.041,f=-0.16) USER MOD Single : A 23 THR OG1 : rot 162:sc= 1.23 USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= -0.0824 (180deg=-0.428) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -45:sc= 1.15 USER MOD Single : A 40 ASN : amide:sc= -0.507 K(o=-0.51,f=0.47) USER MOD Single : A 41 MET CE :methyl -158:sc= -2.59! (180deg=-3.2!) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.612 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 179:sc= 0.00707 (180deg=0.00694) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot -49:sc= 0.723 USER MOD Single : A 61 GLN : amide:sc= -0.134 K(o=-0.13,f=-0.74) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 50:sc= 0.14 USER MOD Single : A 69 HIS : no HD1:sc= -5.87! C(o=-5.9!,f=-7.1!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.167 0.232 0.075 1.00 13.21 N ATOM 2 CA MET A 1 1.968 0.198 -1.143 1.00 75.12 C ATOM 3 C MET A 1 1.349 -0.741 -2.174 1.00 53.42 C ATOM 4 O MET A 1 0.852 -0.299 -3.211 1.00 61.25 O ATOM 5 CB MET A 1 3.397 -0.245 -0.827 1.00 4.33 C ATOM 6 CG MET A 1 4.377 0.007 -1.962 1.00 34.12 C ATOM 7 SD MET A 1 5.467 1.407 -1.641 1.00 73.12 S ATOM 8 CE MET A 1 6.449 1.421 -3.139 1.00 54.42 C ATOM 0 H1 MET A 1 0.839 1.204 0.248 1.00 13.21 H new ATOM 0 H2 MET A 1 0.346 -0.397 -0.032 1.00 13.21 H new ATOM 0 H3 MET A 1 1.744 -0.086 0.879 1.00 13.21 H new ATOM 0 HA MET A 1 1.991 1.204 -1.561 1.00 75.12 H new ATOM 0 HB2 MET A 1 3.743 0.280 0.064 1.00 4.33 H new ATOM 0 HB3 MET A 1 3.395 -1.309 -0.589 1.00 4.33 H new ATOM 0 HG2 MET A 1 4.979 -0.888 -2.123 1.00 34.12 H new ATOM 0 HG3 MET A 1 3.822 0.187 -2.883 1.00 34.12 H new ATOM 0 HE1 MET A 1 7.173 2.235 -3.092 1.00 54.42 H new ATOM 0 HE2 MET A 1 6.976 0.472 -3.238 1.00 54.42 H new ATOM 0 HE3 MET A 1 5.797 1.565 -4.000 1.00 54.42 H new ATOM 18 N LEU A 2 1.382 -2.036 -1.883 1.00 71.43 N ATOM 19 CA LEU A 2 0.824 -3.038 -2.786 1.00 3.32 C ATOM 20 C LEU A 2 -0.484 -3.598 -2.236 1.00 43.12 C ATOM 21 O LEU A 2 -0.538 -4.080 -1.104 1.00 60.52 O ATOM 22 CB LEU A 2 1.827 -4.172 -3.003 1.00 21.34 C ATOM 23 CG LEU A 2 1.273 -5.444 -3.646 1.00 31.14 C ATOM 24 CD1 LEU A 2 2.331 -6.109 -4.513 1.00 10.43 C ATOM 25 CD2 LEU A 2 0.773 -6.407 -2.579 1.00 23.25 C ATOM 0 H LEU A 2 1.789 -2.418 -1.029 1.00 71.43 H new ATOM 0 HA LEU A 2 0.618 -2.556 -3.742 1.00 3.32 H new ATOM 0 HB2 LEU A 2 2.639 -3.798 -3.626 1.00 21.34 H new ATOM 0 HB3 LEU A 2 2.261 -4.436 -2.039 1.00 21.34 H new ATOM 0 HG LEU A 2 0.432 -5.169 -4.282 1.00 31.14 H new ATOM 0 HD11 LEU A 2 1.918 -7.012 -4.962 1.00 10.43 H new ATOM 0 HD12 LEU A 2 2.641 -5.422 -5.300 1.00 10.43 H new ATOM 0 HD13 LEU A 2 3.193 -6.370 -3.899 1.00 10.43 H new ATOM 0 HD21 LEU A 2 0.382 -7.306 -3.055 1.00 23.25 H new ATOM 0 HD22 LEU A 2 1.596 -6.675 -1.917 1.00 23.25 H new ATOM 0 HD23 LEU A 2 -0.018 -5.930 -2.000 1.00 23.25 H new ATOM 37 N LEU A 3 -1.535 -3.533 -3.045 1.00 53.42 N ATOM 38 CA LEU A 3 -2.844 -4.036 -2.641 1.00 42.53 C ATOM 39 C LEU A 3 -3.526 -4.766 -3.794 1.00 1.14 C ATOM 40 O LEU A 3 -3.329 -4.428 -4.961 1.00 10.30 O ATOM 41 CB LEU A 3 -3.727 -2.884 -2.158 1.00 35.32 C ATOM 42 CG LEU A 3 -4.400 -2.050 -3.249 1.00 23.22 C ATOM 43 CD1 LEU A 3 -5.383 -1.064 -2.637 1.00 70.33 C ATOM 44 CD2 LEU A 3 -3.356 -1.319 -4.080 1.00 41.14 C ATOM 0 H LEU A 3 -1.507 -3.137 -3.985 1.00 53.42 H new ATOM 0 HA LEU A 3 -2.699 -4.742 -1.823 1.00 42.53 H new ATOM 0 HB2 LEU A 3 -4.503 -3.294 -1.512 1.00 35.32 H new ATOM 0 HB3 LEU A 3 -3.119 -2.220 -1.544 1.00 35.32 H new ATOM 0 HG LEU A 3 -4.953 -2.722 -3.905 1.00 23.22 H new ATOM 0 HD11 LEU A 3 -5.852 -0.479 -3.428 1.00 70.33 H new ATOM 0 HD12 LEU A 3 -6.149 -1.609 -2.086 1.00 70.33 H new ATOM 0 HD13 LEU A 3 -4.853 -0.396 -1.958 1.00 70.33 H new ATOM 0 HD21 LEU A 3 -3.852 -0.730 -4.852 1.00 41.14 H new ATOM 0 HD22 LEU A 3 -2.776 -0.658 -3.436 1.00 41.14 H new ATOM 0 HD23 LEU A 3 -2.691 -2.044 -4.549 1.00 41.14 H new ATOM 56 N LYS A 4 -4.331 -5.768 -3.458 1.00 63.40 N ATOM 57 CA LYS A 4 -5.046 -6.545 -4.463 1.00 61.53 C ATOM 58 C LYS A 4 -6.544 -6.263 -4.406 1.00 3.35 C ATOM 59 O LYS A 4 -7.217 -6.625 -3.441 1.00 74.51 O ATOM 60 CB LYS A 4 -4.790 -8.040 -4.259 1.00 72.42 C ATOM 61 CG LYS A 4 -5.683 -8.931 -5.106 1.00 23.43 C ATOM 62 CD LYS A 4 -5.360 -10.402 -4.899 1.00 12.22 C ATOM 63 CE LYS A 4 -6.577 -11.177 -4.417 1.00 50.12 C ATOM 64 NZ LYS A 4 -6.325 -12.644 -4.391 1.00 72.41 N ATOM 0 H LYS A 4 -4.505 -6.061 -2.497 1.00 63.40 H new ATOM 0 HA LYS A 4 -4.676 -6.249 -5.445 1.00 61.53 H new ATOM 0 HB2 LYS A 4 -3.748 -8.257 -4.493 1.00 72.42 H new ATOM 0 HB3 LYS A 4 -4.938 -8.285 -3.207 1.00 72.42 H new ATOM 0 HG2 LYS A 4 -6.727 -8.748 -4.853 1.00 23.43 H new ATOM 0 HG3 LYS A 4 -5.561 -8.675 -6.158 1.00 23.43 H new ATOM 0 HD2 LYS A 4 -5.000 -10.832 -5.834 1.00 12.22 H new ATOM 0 HD3 LYS A 4 -4.554 -10.500 -4.172 1.00 12.22 H new ATOM 0 HE2 LYS A 4 -6.851 -10.838 -3.418 1.00 50.12 H new ATOM 0 HE3 LYS A 4 -7.424 -10.965 -5.069 1.00 50.12 H new ATOM 0 HZ1 LYS A 4 -7.178 -13.137 -4.057 1.00 72.41 H new ATOM 0 HZ2 LYS A 4 -6.088 -12.973 -5.349 1.00 72.41 H new ATOM 0 HZ3 LYS A 4 -5.533 -12.849 -3.749 1.00 72.41 H new ATOM 78 N VAL A 5 -7.059 -5.614 -5.445 1.00 15.22 N ATOM 79 CA VAL A 5 -8.478 -5.285 -5.513 1.00 53.11 C ATOM 80 C VAL A 5 -9.220 -6.242 -6.439 1.00 34.21 C ATOM 81 O VAL A 5 -8.834 -6.433 -7.592 1.00 71.12 O ATOM 82 CB VAL A 5 -8.697 -3.841 -6.004 1.00 23.25 C ATOM 83 CG1 VAL A 5 -8.085 -2.847 -5.028 1.00 30.41 C ATOM 84 CG2 VAL A 5 -8.116 -3.659 -7.398 1.00 3.15 C ATOM 0 H VAL A 5 -6.515 -5.306 -6.251 1.00 15.22 H new ATOM 0 HA VAL A 5 -8.874 -5.381 -4.502 1.00 53.11 H new ATOM 0 HB VAL A 5 -9.769 -3.651 -6.055 1.00 23.25 H new ATOM 0 HG11 VAL A 5 -8.249 -1.832 -5.391 1.00 30.41 H new ATOM 0 HG12 VAL A 5 -8.552 -2.963 -4.050 1.00 30.41 H new ATOM 0 HG13 VAL A 5 -7.014 -3.033 -4.943 1.00 30.41 H new ATOM 0 HG21 VAL A 5 -8.280 -2.634 -7.729 1.00 3.15 H new ATOM 0 HG22 VAL A 5 -7.046 -3.867 -7.376 1.00 3.15 H new ATOM 0 HG23 VAL A 5 -8.605 -4.346 -8.089 1.00 3.15 H new ATOM 94 N LYS A 6 -10.289 -6.842 -5.926 1.00 73.55 N ATOM 95 CA LYS A 6 -11.089 -7.780 -6.707 1.00 4.34 C ATOM 96 C LYS A 6 -12.566 -7.403 -6.663 1.00 0.43 C ATOM 97 O LYS A 6 -13.168 -7.333 -5.591 1.00 15.41 O ATOM 98 CB LYS A 6 -10.899 -9.204 -6.181 1.00 31.31 C ATOM 99 CG LYS A 6 -11.151 -9.341 -4.689 1.00 42.32 C ATOM 100 CD LYS A 6 -10.039 -10.119 -4.005 1.00 54.20 C ATOM 101 CE LYS A 6 -10.555 -10.876 -2.791 1.00 0.12 C ATOM 102 NZ LYS A 6 -9.766 -12.112 -2.531 1.00 42.15 N ATOM 0 H LYS A 6 -10.622 -6.696 -4.973 1.00 73.55 H new ATOM 0 HA LYS A 6 -10.751 -7.733 -7.742 1.00 4.34 H new ATOM 0 HB2 LYS A 6 -11.572 -9.873 -6.717 1.00 31.31 H new ATOM 0 HB3 LYS A 6 -9.883 -9.531 -6.401 1.00 31.31 H new ATOM 0 HG2 LYS A 6 -11.233 -8.351 -4.240 1.00 42.32 H new ATOM 0 HG3 LYS A 6 -12.103 -9.845 -4.525 1.00 42.32 H new ATOM 0 HD2 LYS A 6 -9.596 -10.821 -4.712 1.00 54.20 H new ATOM 0 HD3 LYS A 6 -9.249 -9.434 -3.699 1.00 54.20 H new ATOM 0 HE2 LYS A 6 -10.515 -10.228 -1.915 1.00 0.12 H new ATOM 0 HE3 LYS A 6 -11.602 -11.139 -2.945 1.00 0.12 H new ATOM 0 HZ1 LYS A 6 -10.149 -12.599 -1.696 1.00 42.15 H new ATOM 0 HZ2 LYS A 6 -9.825 -12.742 -3.357 1.00 42.15 H new ATOM 0 HZ3 LYS A 6 -8.772 -11.859 -2.359 1.00 42.15 H new ATOM 116 N THR A 7 -13.146 -7.162 -7.835 1.00 2.44 N ATOM 117 CA THR A 7 -14.552 -6.792 -7.930 1.00 34.23 C ATOM 118 C THR A 7 -15.443 -8.028 -7.976 1.00 75.15 C ATOM 119 O THR A 7 -14.963 -9.145 -8.168 1.00 31.30 O ATOM 120 CB THR A 7 -14.824 -5.930 -9.177 1.00 63.21 C ATOM 121 OG1 THR A 7 -13.622 -5.267 -9.585 1.00 60.23 O ATOM 122 CG2 THR A 7 -15.907 -4.900 -8.898 1.00 15.13 C ATOM 0 H THR A 7 -12.663 -7.217 -8.732 1.00 2.44 H new ATOM 0 HA THR A 7 -14.787 -6.211 -7.038 1.00 34.23 H new ATOM 0 HB THR A 7 -15.167 -6.586 -9.977 1.00 63.21 H new ATOM 0 HG1 THR A 7 -13.802 -4.722 -10.379 1.00 60.23 H new ATOM 0 HG21 THR A 7 -16.081 -4.304 -9.794 1.00 15.13 H new ATOM 0 HG22 THR A 7 -16.829 -5.409 -8.616 1.00 15.13 H new ATOM 0 HG23 THR A 7 -15.588 -4.248 -8.084 1.00 15.13 H new ATOM 130 N VAL A 8 -16.745 -7.821 -7.801 1.00 3.11 N ATOM 131 CA VAL A 8 -17.704 -8.919 -7.825 1.00 2.20 C ATOM 132 C VAL A 8 -17.777 -9.554 -9.209 1.00 33.11 C ATOM 133 O VAL A 8 -18.351 -10.630 -9.380 1.00 11.42 O ATOM 134 CB VAL A 8 -19.111 -8.444 -7.415 1.00 25.34 C ATOM 135 CG1 VAL A 8 -19.667 -7.470 -8.442 1.00 64.42 C ATOM 136 CG2 VAL A 8 -20.042 -9.633 -7.236 1.00 33.41 C ATOM 0 H VAL A 8 -17.159 -6.903 -7.641 1.00 3.11 H new ATOM 0 HA VAL A 8 -17.355 -9.660 -7.106 1.00 2.20 H new ATOM 0 HB VAL A 8 -19.036 -7.923 -6.461 1.00 25.34 H new ATOM 0 HG11 VAL A 8 -20.661 -7.146 -8.135 1.00 64.42 H new ATOM 0 HG12 VAL A 8 -19.009 -6.604 -8.515 1.00 64.42 H new ATOM 0 HG13 VAL A 8 -19.729 -7.961 -9.413 1.00 64.42 H new ATOM 0 HG21 VAL A 8 -21.032 -9.280 -6.946 1.00 33.41 H new ATOM 0 HG22 VAL A 8 -20.113 -10.184 -8.174 1.00 33.41 H new ATOM 0 HG23 VAL A 8 -19.649 -10.289 -6.459 1.00 33.41 H new ATOM 146 N SER A 9 -17.192 -8.882 -10.195 1.00 3.54 N ATOM 147 CA SER A 9 -17.193 -9.379 -11.565 1.00 54.45 C ATOM 148 C SER A 9 -15.996 -10.290 -11.814 1.00 65.13 C ATOM 149 O SER A 9 -15.681 -10.622 -12.956 1.00 40.24 O ATOM 150 CB SER A 9 -17.174 -8.211 -12.554 1.00 11.12 C ATOM 151 OG SER A 9 -18.485 -7.880 -12.977 1.00 52.44 O ATOM 0 H SER A 9 -16.711 -7.991 -10.070 1.00 3.54 H new ATOM 0 HA SER A 9 -18.105 -9.958 -11.714 1.00 54.45 H new ATOM 0 HB2 SER A 9 -16.709 -7.343 -12.087 1.00 11.12 H new ATOM 0 HB3 SER A 9 -16.565 -8.473 -13.419 1.00 11.12 H new ATOM 0 HG SER A 9 -18.446 -7.130 -13.607 1.00 52.44 H new ATOM 157 N ASN A 10 -15.331 -10.691 -10.735 1.00 60.14 N ATOM 158 CA ASN A 10 -14.167 -11.564 -10.835 1.00 42.13 C ATOM 159 C ASN A 10 -12.997 -10.838 -11.493 1.00 13.32 C ATOM 160 O ASN A 10 -12.219 -11.436 -12.236 1.00 53.35 O ATOM 161 CB ASN A 10 -14.514 -12.822 -11.633 1.00 61.34 C ATOM 162 CG ASN A 10 -14.045 -14.090 -10.947 1.00 22.35 C ATOM 163 OD1 ASN A 10 -14.589 -14.489 -9.917 1.00 22.33 O ATOM 164 ND2 ASN A 10 -13.030 -14.730 -11.515 1.00 63.22 N ATOM 0 H ASN A 10 -15.578 -10.425 -9.782 1.00 60.14 H new ATOM 0 HA ASN A 10 -13.872 -11.851 -9.826 1.00 42.13 H new ATOM 0 HB2 ASN A 10 -15.593 -12.870 -11.780 1.00 61.34 H new ATOM 0 HB3 ASN A 10 -14.060 -12.758 -12.622 1.00 61.34 H new ATOM 0 HD21 ASN A 10 -12.671 -15.589 -11.098 1.00 63.22 H new ATOM 0 HD22 ASN A 10 -12.609 -14.363 -12.369 1.00 63.22 H new ATOM 171 N LYS A 11 -12.879 -9.544 -11.213 1.00 63.21 N ATOM 172 CA LYS A 11 -11.804 -8.735 -11.775 1.00 3.24 C ATOM 173 C LYS A 11 -10.777 -8.377 -10.705 1.00 44.22 C ATOM 174 O LYS A 11 -10.884 -7.341 -10.049 1.00 52.41 O ATOM 175 CB LYS A 11 -12.371 -7.458 -12.399 1.00 74.33 C ATOM 176 CG LYS A 11 -13.126 -7.699 -13.695 1.00 74.01 C ATOM 177 CD LYS A 11 -13.458 -6.393 -14.398 1.00 70.40 C ATOM 178 CE LYS A 11 -14.551 -6.583 -15.439 1.00 43.30 C ATOM 179 NZ LYS A 11 -14.121 -7.495 -16.535 1.00 22.03 N ATOM 0 H LYS A 11 -13.515 -9.033 -10.600 1.00 63.21 H new ATOM 0 HA LYS A 11 -11.309 -9.321 -12.549 1.00 3.24 H new ATOM 0 HB2 LYS A 11 -13.039 -6.979 -11.683 1.00 74.33 H new ATOM 0 HB3 LYS A 11 -11.554 -6.762 -12.588 1.00 74.33 H new ATOM 0 HG2 LYS A 11 -12.527 -8.326 -14.355 1.00 74.01 H new ATOM 0 HG3 LYS A 11 -14.046 -8.244 -13.485 1.00 74.01 H new ATOM 0 HD2 LYS A 11 -13.778 -5.654 -13.663 1.00 70.40 H new ATOM 0 HD3 LYS A 11 -12.562 -5.998 -14.877 1.00 70.40 H new ATOM 0 HE2 LYS A 11 -15.443 -6.987 -14.960 1.00 43.30 H new ATOM 0 HE3 LYS A 11 -14.825 -5.615 -15.859 1.00 43.30 H new ATOM 0 HZ1 LYS A 11 -14.874 -7.558 -17.249 1.00 22.03 H new ATOM 0 HZ2 LYS A 11 -13.256 -7.124 -16.976 1.00 22.03 H new ATOM 0 HZ3 LYS A 11 -13.933 -8.441 -16.146 1.00 22.03 H new ATOM 193 N VAL A 12 -9.780 -9.240 -10.536 1.00 10.14 N ATOM 194 CA VAL A 12 -8.732 -9.013 -9.548 1.00 30.14 C ATOM 195 C VAL A 12 -7.532 -8.310 -10.171 1.00 65.34 C ATOM 196 O VAL A 12 -7.071 -8.687 -11.250 1.00 3.54 O ATOM 197 CB VAL A 12 -8.265 -10.336 -8.911 1.00 11.40 C ATOM 198 CG1 VAL A 12 -7.270 -10.068 -7.792 1.00 14.32 C ATOM 199 CG2 VAL A 12 -9.457 -11.129 -8.397 1.00 70.25 C ATOM 0 H VAL A 12 -9.676 -10.103 -11.070 1.00 10.14 H new ATOM 0 HA VAL A 12 -9.160 -8.377 -8.773 1.00 30.14 H new ATOM 0 HB VAL A 12 -7.764 -10.930 -9.675 1.00 11.40 H new ATOM 0 HG11 VAL A 12 -6.951 -11.014 -7.354 1.00 14.32 H new ATOM 0 HG12 VAL A 12 -6.403 -9.544 -8.194 1.00 14.32 H new ATOM 0 HG13 VAL A 12 -7.742 -9.454 -7.025 1.00 14.32 H new ATOM 0 HG21 VAL A 12 -9.109 -12.060 -7.950 1.00 70.25 H new ATOM 0 HG22 VAL A 12 -9.988 -10.543 -7.647 1.00 70.25 H new ATOM 0 HG23 VAL A 12 -10.130 -11.353 -9.225 1.00 70.25 H new ATOM 209 N ILE A 13 -7.029 -7.289 -9.486 1.00 53.43 N ATOM 210 CA ILE A 13 -5.881 -6.534 -9.973 1.00 21.23 C ATOM 211 C ILE A 13 -4.873 -6.287 -8.856 1.00 3.33 C ATOM 212 O ILE A 13 -5.175 -5.610 -7.873 1.00 44.55 O ATOM 213 CB ILE A 13 -6.309 -5.181 -10.572 1.00 22.42 C ATOM 214 CG1 ILE A 13 -7.306 -5.397 -11.712 1.00 14.53 C ATOM 215 CG2 ILE A 13 -5.092 -4.411 -11.063 1.00 72.55 C ATOM 216 CD1 ILE A 13 -6.728 -6.155 -12.886 1.00 32.33 C ATOM 0 H ILE A 13 -7.398 -6.965 -8.592 1.00 53.43 H new ATOM 0 HA ILE A 13 -5.415 -7.136 -10.754 1.00 21.23 H new ATOM 0 HB ILE A 13 -6.797 -4.593 -9.795 1.00 22.42 H new ATOM 0 HG12 ILE A 13 -8.170 -5.940 -11.330 1.00 14.53 H new ATOM 0 HG13 ILE A 13 -7.666 -4.428 -12.058 1.00 14.53 H new ATOM 0 HG21 ILE A 13 -5.410 -3.457 -11.484 1.00 72.55 H new ATOM 0 HG22 ILE A 13 -4.414 -4.231 -10.229 1.00 72.55 H new ATOM 0 HG23 ILE A 13 -4.579 -4.992 -11.829 1.00 72.55 H new ATOM 0 HD11 ILE A 13 -7.491 -6.271 -13.656 1.00 32.33 H new ATOM 0 HD12 ILE A 13 -5.882 -5.603 -13.294 1.00 32.33 H new ATOM 0 HD13 ILE A 13 -6.394 -7.138 -12.555 1.00 32.33 H new ATOM 228 N GLN A 14 -3.674 -6.839 -9.015 1.00 12.33 N ATOM 229 CA GLN A 14 -2.621 -6.677 -8.020 1.00 1.54 C ATOM 230 C GLN A 14 -1.594 -5.646 -8.477 1.00 1.11 C ATOM 231 O GLN A 14 -0.871 -5.866 -9.449 1.00 3.50 O ATOM 232 CB GLN A 14 -1.932 -8.016 -7.752 1.00 34.01 C ATOM 233 CG GLN A 14 -1.437 -8.708 -9.012 1.00 33.03 C ATOM 234 CD GLN A 14 -2.182 -9.996 -9.301 1.00 72.30 C ATOM 235 OE1 GLN A 14 -2.265 -10.884 -8.451 1.00 44.52 O ATOM 236 NE2 GLN A 14 -2.730 -10.106 -10.506 1.00 12.24 N ATOM 0 H GLN A 14 -3.408 -7.402 -9.823 1.00 12.33 H new ATOM 0 HA GLN A 14 -3.080 -6.322 -7.097 1.00 1.54 H new ATOM 0 HB2 GLN A 14 -1.088 -7.853 -7.081 1.00 34.01 H new ATOM 0 HB3 GLN A 14 -2.628 -8.676 -7.234 1.00 34.01 H new ATOM 0 HG2 GLN A 14 -1.546 -8.032 -9.860 1.00 33.03 H new ATOM 0 HG3 GLN A 14 -0.373 -8.923 -8.910 1.00 33.03 H new ATOM 0 HE21 GLN A 14 -2.637 -9.346 -11.180 1.00 12.24 H new ATOM 0 HE22 GLN A 14 -3.244 -10.950 -10.757 1.00 12.24 H new ATOM 245 N ILE A 15 -1.536 -4.522 -7.771 1.00 11.04 N ATOM 246 CA ILE A 15 -0.597 -3.458 -8.104 1.00 71.22 C ATOM 247 C ILE A 15 0.346 -3.173 -6.940 1.00 41.45 C ATOM 248 O ILE A 15 0.001 -3.390 -5.778 1.00 52.35 O ATOM 249 CB ILE A 15 -1.331 -2.159 -8.486 1.00 63.15 C ATOM 250 CG1 ILE A 15 -2.227 -1.696 -7.336 1.00 71.40 C ATOM 251 CG2 ILE A 15 -2.149 -2.366 -9.752 1.00 42.34 C ATOM 252 CD1 ILE A 15 -3.612 -2.304 -7.367 1.00 21.31 C ATOM 0 H ILE A 15 -2.128 -4.325 -6.964 1.00 11.04 H new ATOM 0 HA ILE A 15 -0.018 -3.804 -8.961 1.00 71.22 H new ATOM 0 HB ILE A 15 -0.590 -1.383 -8.678 1.00 63.15 H new ATOM 0 HG12 ILE A 15 -1.749 -1.949 -6.389 1.00 71.40 H new ATOM 0 HG13 ILE A 15 -2.315 -0.610 -7.369 1.00 71.40 H new ATOM 0 HG21 ILE A 15 -2.662 -1.439 -10.009 1.00 42.34 H new ATOM 0 HG22 ILE A 15 -1.488 -2.654 -10.569 1.00 42.34 H new ATOM 0 HG23 ILE A 15 -2.884 -3.153 -9.586 1.00 42.34 H new ATOM 0 HD11 ILE A 15 -4.192 -1.931 -6.523 1.00 21.31 H new ATOM 0 HD12 ILE A 15 -4.109 -2.030 -8.298 1.00 21.31 H new ATOM 0 HD13 ILE A 15 -3.534 -3.389 -7.303 1.00 21.31 H new ATOM 264 N THR A 16 1.540 -2.682 -7.260 1.00 32.11 N ATOM 265 CA THR A 16 2.533 -2.366 -6.242 1.00 4.52 C ATOM 266 C THR A 16 3.036 -0.934 -6.390 1.00 71.02 C ATOM 267 O THR A 16 4.233 -0.700 -6.557 1.00 71.40 O ATOM 268 CB THR A 16 3.734 -3.329 -6.309 1.00 53.55 C ATOM 269 OG1 THR A 16 4.730 -2.937 -5.359 1.00 44.41 O ATOM 270 CG2 THR A 16 4.336 -3.345 -7.706 1.00 41.12 C ATOM 0 H THR A 16 1.842 -2.495 -8.216 1.00 32.11 H new ATOM 0 HA THR A 16 2.041 -2.478 -5.276 1.00 4.52 H new ATOM 0 HB THR A 16 3.381 -4.332 -6.071 1.00 53.55 H new ATOM 0 HG1 THR A 16 5.073 -2.049 -5.592 1.00 44.41 H new ATOM 0 HG21 THR A 16 5.182 -4.032 -7.730 1.00 41.12 H new ATOM 0 HG22 THR A 16 3.583 -3.672 -8.423 1.00 41.12 H new ATOM 0 HG23 THR A 16 4.675 -2.343 -7.968 1.00 41.12 H new ATOM 278 N SER A 17 2.114 0.021 -6.328 1.00 11.42 N ATOM 279 CA SER A 17 2.464 1.431 -6.459 1.00 33.15 C ATOM 280 C SER A 17 1.268 2.320 -6.130 1.00 41.15 C ATOM 281 O SER A 17 0.642 2.893 -7.023 1.00 74.42 O ATOM 282 CB SER A 17 2.959 1.726 -7.876 1.00 24.15 C ATOM 283 OG SER A 17 2.981 3.120 -8.128 1.00 44.12 O ATOM 0 H SER A 17 1.119 -0.155 -6.188 1.00 11.42 H new ATOM 0 HA SER A 17 3.263 1.649 -5.750 1.00 33.15 H new ATOM 0 HB2 SER A 17 3.959 1.313 -8.009 1.00 24.15 H new ATOM 0 HB3 SER A 17 2.312 1.232 -8.601 1.00 24.15 H new ATOM 0 HG SER A 17 2.086 3.493 -7.983 1.00 44.12 H new ATOM 289 N LEU A 18 0.957 2.431 -4.844 1.00 31.12 N ATOM 290 CA LEU A 18 -0.164 3.250 -4.395 1.00 42.25 C ATOM 291 C LEU A 18 0.330 4.533 -3.734 1.00 52.13 C ATOM 292 O LEU A 18 1.434 4.580 -3.191 1.00 31.12 O ATOM 293 CB LEU A 18 -1.038 2.463 -3.418 1.00 22.32 C ATOM 294 CG LEU A 18 -2.464 2.165 -3.882 1.00 62.35 C ATOM 295 CD1 LEU A 18 -3.303 3.433 -3.878 1.00 43.11 C ATOM 296 CD2 LEU A 18 -2.453 1.535 -5.268 1.00 4.21 C ATOM 0 H LEU A 18 1.465 1.964 -4.093 1.00 31.12 H new ATOM 0 HA LEU A 18 -0.758 3.518 -5.268 1.00 42.25 H new ATOM 0 HB2 LEU A 18 -0.543 1.517 -3.201 1.00 22.32 H new ATOM 0 HB3 LEU A 18 -1.091 3.018 -2.481 1.00 22.32 H new ATOM 0 HG LEU A 18 -2.911 1.456 -3.185 1.00 62.35 H new ATOM 0 HD11 LEU A 18 -4.315 3.201 -4.211 1.00 43.11 H new ATOM 0 HD12 LEU A 18 -3.338 3.843 -2.869 1.00 43.11 H new ATOM 0 HD13 LEU A 18 -2.858 4.166 -4.551 1.00 43.11 H new ATOM 0 HD21 LEU A 18 -3.476 1.330 -5.582 1.00 4.21 H new ATOM 0 HD22 LEU A 18 -1.987 2.221 -5.976 1.00 4.21 H new ATOM 0 HD23 LEU A 18 -1.888 0.603 -5.240 1.00 4.21 H new ATOM 308 N THR A 19 -0.497 5.573 -3.782 1.00 44.53 N ATOM 309 CA THR A 19 -0.145 6.857 -3.187 1.00 72.35 C ATOM 310 C THR A 19 -0.387 6.850 -1.682 1.00 63.34 C ATOM 311 O THR A 19 -0.862 5.860 -1.125 1.00 55.31 O ATOM 312 CB THR A 19 -0.950 8.008 -3.820 1.00 1.13 C ATOM 313 OG1 THR A 19 -1.467 7.603 -5.092 1.00 51.41 O ATOM 314 CG2 THR A 19 -0.081 9.245 -3.990 1.00 15.51 C ATOM 0 H THR A 19 -1.415 5.551 -4.227 1.00 44.53 H new ATOM 0 HA THR A 19 0.916 7.016 -3.381 1.00 72.35 H new ATOM 0 HB THR A 19 -1.778 8.253 -3.154 1.00 1.13 H new ATOM 0 HG1 THR A 19 -1.893 8.369 -5.531 1.00 51.41 H new ATOM 0 HG21 THR A 19 -0.670 10.045 -4.439 1.00 15.51 H new ATOM 0 HG22 THR A 19 0.287 9.568 -3.016 1.00 15.51 H new ATOM 0 HG23 THR A 19 0.764 9.010 -4.637 1.00 15.51 H new ATOM 322 N ASP A 20 -0.057 7.959 -1.030 1.00 23.31 N ATOM 323 CA ASP A 20 -0.240 8.081 0.412 1.00 63.22 C ATOM 324 C ASP A 20 -1.136 9.269 0.747 1.00 3.11 C ATOM 325 O ASP A 20 -1.290 9.634 1.913 1.00 65.41 O ATOM 326 CB ASP A 20 1.113 8.234 1.108 1.00 65.00 C ATOM 327 CG ASP A 20 2.134 8.943 0.240 1.00 42.02 C ATOM 328 OD1 ASP A 20 2.204 10.188 0.303 1.00 1.05 O ATOM 329 OD2 ASP A 20 2.863 8.253 -0.504 1.00 73.00 O ATOM 0 H ASP A 20 0.339 8.786 -1.477 1.00 23.31 H new ATOM 0 HA ASP A 20 -0.723 7.172 0.771 1.00 63.22 H new ATOM 0 HB2 ASP A 20 0.980 8.791 2.036 1.00 65.00 H new ATOM 0 HB3 ASP A 20 1.492 7.249 1.379 1.00 65.00 H new ATOM 334 N ASP A 21 -1.723 9.869 -0.282 1.00 53.30 N ATOM 335 CA ASP A 21 -2.604 11.017 -0.097 1.00 30.31 C ATOM 336 C ASP A 21 -4.065 10.580 -0.065 1.00 55.55 C ATOM 337 O ASP A 21 -4.816 10.956 0.834 1.00 30.41 O ATOM 338 CB ASP A 21 -2.388 12.038 -1.214 1.00 43.34 C ATOM 339 CG ASP A 21 -1.796 13.338 -0.705 1.00 21.54 C ATOM 340 OD1 ASP A 21 -0.739 13.288 -0.042 1.00 30.34 O ATOM 341 OD2 ASP A 21 -2.390 14.404 -0.968 1.00 10.22 O ATOM 0 H ASP A 21 -1.605 9.580 -1.253 1.00 53.30 H new ATOM 0 HA ASP A 21 -2.361 11.480 0.859 1.00 30.31 H new ATOM 0 HB2 ASP A 21 -1.727 11.612 -1.968 1.00 43.34 H new ATOM 0 HB3 ASP A 21 -3.340 12.243 -1.704 1.00 43.34 H new ATOM 346 N ASN A 22 -4.462 9.787 -1.055 1.00 32.41 N ATOM 347 CA ASN A 22 -5.835 9.301 -1.141 1.00 65.44 C ATOM 348 C ASN A 22 -5.882 7.781 -1.017 1.00 72.34 C ATOM 349 O ASN A 22 -6.737 7.229 -0.323 1.00 51.24 O ATOM 350 CB ASN A 22 -6.469 9.736 -2.464 1.00 33.22 C ATOM 351 CG ASN A 22 -6.972 11.166 -2.421 1.00 34.24 C ATOM 352 OD1 ASN A 22 -7.734 11.541 -1.529 1.00 75.15 O ATOM 353 ND2 ASN A 22 -6.547 11.972 -3.386 1.00 70.25 N ATOM 0 H ASN A 22 -3.853 9.467 -1.808 1.00 32.41 H new ATOM 0 HA ASN A 22 -6.400 9.733 -0.315 1.00 65.44 H new ATOM 0 HB2 ASN A 22 -5.737 9.635 -3.265 1.00 33.22 H new ATOM 0 HB3 ASN A 22 -7.297 9.069 -2.703 1.00 33.22 H new ATOM 0 HD21 ASN A 22 -6.852 12.945 -3.409 1.00 70.25 H new ATOM 0 HD22 ASN A 22 -5.916 11.618 -4.105 1.00 70.25 H new ATOM 360 N THR A 23 -4.957 7.108 -1.695 1.00 31.20 N ATOM 361 CA THR A 23 -4.893 5.652 -1.662 1.00 12.23 C ATOM 362 C THR A 23 -6.177 5.033 -2.201 1.00 74.04 C ATOM 363 O THR A 23 -6.249 4.649 -3.369 1.00 72.01 O ATOM 364 CB THR A 23 -4.648 5.133 -0.232 1.00 43.14 C ATOM 365 OG1 THR A 23 -3.361 5.559 0.229 1.00 64.40 O ATOM 366 CG2 THR A 23 -4.732 3.615 -0.186 1.00 33.00 C ATOM 0 H THR A 23 -4.242 7.548 -2.274 1.00 31.20 H new ATOM 0 HA THR A 23 -4.057 5.358 -2.296 1.00 12.23 H new ATOM 0 HB THR A 23 -5.421 5.544 0.418 1.00 43.14 H new ATOM 0 HG1 THR A 23 -3.323 5.487 1.206 1.00 64.40 H new ATOM 0 HG21 THR A 23 -4.556 3.272 0.833 1.00 33.00 H new ATOM 0 HG22 THR A 23 -5.722 3.295 -0.510 1.00 33.00 H new ATOM 0 HG23 THR A 23 -3.978 3.189 -0.848 1.00 33.00 H new ATOM 374 N ILE A 24 -7.189 4.940 -1.345 1.00 30.40 N ATOM 375 CA ILE A 24 -8.471 4.368 -1.738 1.00 13.44 C ATOM 376 C ILE A 24 -9.210 5.288 -2.703 1.00 54.52 C ATOM 377 O ILE A 24 -9.668 4.857 -3.761 1.00 22.52 O ATOM 378 CB ILE A 24 -9.367 4.101 -0.514 1.00 10.35 C ATOM 379 CG1 ILE A 24 -8.652 3.180 0.478 1.00 52.54 C ATOM 380 CG2 ILE A 24 -10.692 3.493 -0.949 1.00 43.22 C ATOM 381 CD1 ILE A 24 -7.916 3.924 1.570 1.00 64.22 C ATOM 0 H ILE A 24 -7.146 5.253 -0.375 1.00 30.40 H new ATOM 0 HA ILE A 24 -8.256 3.422 -2.234 1.00 13.44 H new ATOM 0 HB ILE A 24 -9.571 5.050 -0.018 1.00 10.35 H new ATOM 0 HG12 ILE A 24 -9.383 2.512 0.934 1.00 52.54 H new ATOM 0 HG13 ILE A 24 -7.944 2.554 -0.065 1.00 52.54 H new ATOM 0 HG21 ILE A 24 -11.314 3.310 -0.073 1.00 43.22 H new ATOM 0 HG22 ILE A 24 -11.205 4.181 -1.621 1.00 43.22 H new ATOM 0 HG23 ILE A 24 -10.508 2.551 -1.466 1.00 43.22 H new ATOM 0 HD11 ILE A 24 -7.433 3.209 2.236 1.00 64.22 H new ATOM 0 HD12 ILE A 24 -7.161 4.571 1.124 1.00 64.22 H new ATOM 0 HD13 ILE A 24 -8.623 4.529 2.138 1.00 64.22 H new ATOM 393 N ALA A 25 -9.322 6.560 -2.332 1.00 62.23 N ATOM 394 CA ALA A 25 -10.002 7.542 -3.167 1.00 43.32 C ATOM 395 C ALA A 25 -9.355 7.634 -4.545 1.00 63.30 C ATOM 396 O ALA A 25 -10.044 7.764 -5.556 1.00 64.22 O ATOM 397 CB ALA A 25 -9.998 8.904 -2.489 1.00 0.31 C ATOM 0 H ALA A 25 -8.950 6.934 -1.459 1.00 62.23 H new ATOM 0 HA ALA A 25 -11.034 7.217 -3.300 1.00 43.32 H new ATOM 0 HB1 ALA A 25 -10.509 9.628 -3.124 1.00 0.31 H new ATOM 0 HB2 ALA A 25 -10.512 8.835 -1.530 1.00 0.31 H new ATOM 0 HB3 ALA A 25 -8.970 9.226 -2.326 1.00 0.31 H new ATOM 403 N GLU A 26 -8.027 7.565 -4.576 1.00 55.43 N ATOM 404 CA GLU A 26 -7.289 7.642 -5.831 1.00 44.21 C ATOM 405 C GLU A 26 -7.520 6.393 -6.676 1.00 71.31 C ATOM 406 O GLU A 26 -7.654 6.472 -7.898 1.00 61.30 O ATOM 407 CB GLU A 26 -5.793 7.817 -5.558 1.00 72.13 C ATOM 408 CG GLU A 26 -4.944 7.843 -6.818 1.00 23.33 C ATOM 409 CD GLU A 26 -4.217 9.160 -7.004 1.00 41.42 C ATOM 410 OE1 GLU A 26 -4.873 10.219 -6.902 1.00 25.51 O ATOM 411 OE2 GLU A 26 -2.993 9.134 -7.253 1.00 35.14 O ATOM 0 H GLU A 26 -7.442 7.456 -3.748 1.00 55.43 H new ATOM 0 HA GLU A 26 -7.654 8.507 -6.385 1.00 44.21 H new ATOM 0 HB2 GLU A 26 -5.639 8.745 -5.007 1.00 72.13 H new ATOM 0 HB3 GLU A 26 -5.452 7.005 -4.917 1.00 72.13 H new ATOM 0 HG2 GLU A 26 -4.216 7.033 -6.778 1.00 23.33 H new ATOM 0 HG3 GLU A 26 -5.580 7.658 -7.684 1.00 23.33 H new ATOM 418 N LEU A 27 -7.566 5.240 -6.017 1.00 45.30 N ATOM 419 CA LEU A 27 -7.780 3.973 -6.706 1.00 72.44 C ATOM 420 C LEU A 27 -9.180 3.911 -7.309 1.00 31.31 C ATOM 421 O LEU A 27 -9.349 3.580 -8.483 1.00 22.02 O ATOM 422 CB LEU A 27 -7.576 2.804 -5.741 1.00 62.42 C ATOM 423 CG LEU A 27 -6.435 1.844 -6.081 1.00 3.30 C ATOM 424 CD1 LEU A 27 -6.417 0.672 -5.113 1.00 20.42 C ATOM 425 CD2 LEU A 27 -6.561 1.352 -7.515 1.00 40.14 C ATOM 0 H LEU A 27 -7.458 5.157 -5.006 1.00 45.30 H new ATOM 0 HA LEU A 27 -7.052 3.900 -7.514 1.00 72.44 H new ATOM 0 HB2 LEU A 27 -7.399 3.208 -4.744 1.00 62.42 H new ATOM 0 HB3 LEU A 27 -8.503 2.232 -5.693 1.00 62.42 H new ATOM 0 HG LEU A 27 -5.492 2.383 -5.985 1.00 3.30 H new ATOM 0 HD11 LEU A 27 -5.599 -0.000 -5.371 1.00 20.42 H new ATOM 0 HD12 LEU A 27 -6.277 1.041 -4.097 1.00 20.42 H new ATOM 0 HD13 LEU A 27 -7.362 0.133 -5.176 1.00 20.42 H new ATOM 0 HD21 LEU A 27 -5.741 0.670 -7.739 1.00 40.14 H new ATOM 0 HD22 LEU A 27 -7.510 0.831 -7.639 1.00 40.14 H new ATOM 0 HD23 LEU A 27 -6.522 2.202 -8.196 1.00 40.14 H new ATOM 437 N LYS A 28 -10.182 4.233 -6.498 1.00 53.12 N ATOM 438 CA LYS A 28 -11.568 4.218 -6.951 1.00 13.13 C ATOM 439 C LYS A 28 -11.800 5.273 -8.028 1.00 15.03 C ATOM 440 O LYS A 28 -12.509 5.032 -9.004 1.00 61.21 O ATOM 441 CB LYS A 28 -12.514 4.460 -5.772 1.00 42.41 C ATOM 442 CG LYS A 28 -12.358 5.832 -5.139 1.00 44.31 C ATOM 443 CD LYS A 28 -13.207 5.968 -3.886 1.00 44.33 C ATOM 444 CE LYS A 28 -14.691 5.884 -4.207 1.00 0.20 C ATOM 445 NZ LYS A 28 -15.088 6.862 -5.258 1.00 3.13 N ATOM 0 H LYS A 28 -10.060 4.508 -5.523 1.00 53.12 H new ATOM 0 HA LYS A 28 -11.774 3.237 -7.379 1.00 13.13 H new ATOM 0 HB2 LYS A 28 -13.543 4.341 -6.112 1.00 42.41 H new ATOM 0 HB3 LYS A 28 -12.338 3.697 -5.014 1.00 42.41 H new ATOM 0 HG2 LYS A 28 -11.310 6.002 -4.890 1.00 44.31 H new ATOM 0 HG3 LYS A 28 -12.643 6.600 -5.858 1.00 44.31 H new ATOM 0 HD2 LYS A 28 -12.942 5.183 -3.178 1.00 44.33 H new ATOM 0 HD3 LYS A 28 -12.992 6.920 -3.401 1.00 44.33 H new ATOM 0 HE2 LYS A 28 -14.934 4.875 -4.540 1.00 0.20 H new ATOM 0 HE3 LYS A 28 -15.269 6.069 -3.302 1.00 0.20 H new ATOM 0 HZ1 LYS A 28 -16.122 6.969 -5.259 1.00 3.13 H new ATOM 0 HZ2 LYS A 28 -14.645 7.782 -5.061 1.00 3.13 H new ATOM 0 HZ3 LYS A 28 -14.775 6.518 -6.188 1.00 3.13 H new ATOM 459 N GLY A 29 -11.197 6.444 -7.843 1.00 72.42 N ATOM 460 CA GLY A 29 -11.350 7.517 -8.808 1.00 20.11 C ATOM 461 C GLY A 29 -10.691 7.201 -10.136 1.00 74.21 C ATOM 462 O GLY A 29 -11.174 7.613 -11.191 1.00 52.00 O ATOM 0 H GLY A 29 -10.606 6.668 -7.043 1.00 72.42 H new ATOM 0 HA2 GLY A 29 -12.411 7.708 -8.969 1.00 20.11 H new ATOM 0 HA3 GLY A 29 -10.919 8.432 -8.401 1.00 20.11 H new ATOM 466 N LYS A 30 -9.584 6.468 -10.086 1.00 51.20 N ATOM 467 CA LYS A 30 -8.857 6.097 -11.294 1.00 24.31 C ATOM 468 C LYS A 30 -9.570 4.970 -12.034 1.00 54.11 C ATOM 469 O LYS A 30 -9.584 4.933 -13.265 1.00 40.32 O ATOM 470 CB LYS A 30 -7.430 5.667 -10.943 1.00 52.41 C ATOM 471 CG LYS A 30 -6.497 6.832 -10.659 1.00 32.34 C ATOM 472 CD LYS A 30 -5.447 6.984 -11.747 1.00 34.24 C ATOM 473 CE LYS A 30 -4.491 8.126 -11.442 1.00 42.42 C ATOM 474 NZ LYS A 30 -3.265 8.063 -12.285 1.00 63.30 N ATOM 0 H LYS A 30 -9.171 6.119 -9.221 1.00 51.20 H new ATOM 0 HA LYS A 30 -8.818 6.969 -11.947 1.00 24.31 H new ATOM 0 HB2 LYS A 30 -7.460 5.015 -10.070 1.00 52.41 H new ATOM 0 HB3 LYS A 30 -7.024 5.079 -11.766 1.00 52.41 H new ATOM 0 HG2 LYS A 30 -7.076 7.752 -10.580 1.00 32.34 H new ATOM 0 HG3 LYS A 30 -6.007 6.680 -9.697 1.00 32.34 H new ATOM 0 HD2 LYS A 30 -4.886 6.055 -11.845 1.00 34.24 H new ATOM 0 HD3 LYS A 30 -5.937 7.163 -12.704 1.00 34.24 H new ATOM 0 HE2 LYS A 30 -4.997 9.077 -11.607 1.00 42.42 H new ATOM 0 HE3 LYS A 30 -4.210 8.093 -10.389 1.00 42.42 H new ATOM 0 HZ1 LYS A 30 -2.639 8.858 -12.047 1.00 63.30 H new ATOM 0 HZ2 LYS A 30 -2.768 7.166 -12.109 1.00 63.30 H new ATOM 0 HZ3 LYS A 30 -3.531 8.120 -13.289 1.00 63.30 H new ATOM 488 N LEU A 31 -10.164 4.054 -11.277 1.00 24.10 N ATOM 489 CA LEU A 31 -10.881 2.926 -11.861 1.00 54.35 C ATOM 490 C LEU A 31 -12.161 3.392 -12.548 1.00 51.53 C ATOM 491 O LEU A 31 -12.471 2.964 -13.659 1.00 53.44 O ATOM 492 CB LEU A 31 -11.215 1.894 -10.783 1.00 2.21 C ATOM 493 CG LEU A 31 -11.436 0.462 -11.270 1.00 75.21 C ATOM 494 CD1 LEU A 31 -11.420 -0.509 -10.099 1.00 50.25 C ATOM 495 CD2 LEU A 31 -12.748 0.356 -12.035 1.00 63.40 C ATOM 0 H LEU A 31 -10.163 4.070 -10.257 1.00 24.10 H new ATOM 0 HA LEU A 31 -10.235 2.465 -12.608 1.00 54.35 H new ATOM 0 HB2 LEU A 31 -10.406 1.887 -10.052 1.00 2.21 H new ATOM 0 HB3 LEU A 31 -12.114 2.222 -10.261 1.00 2.21 H new ATOM 0 HG LEU A 31 -10.622 0.198 -11.945 1.00 75.21 H new ATOM 0 HD11 LEU A 31 -11.579 -1.523 -10.465 1.00 50.25 H new ATOM 0 HD12 LEU A 31 -10.456 -0.453 -9.593 1.00 50.25 H new ATOM 0 HD13 LEU A 31 -12.213 -0.248 -9.399 1.00 50.25 H new ATOM 0 HD21 LEU A 31 -12.889 -0.670 -12.374 1.00 63.40 H new ATOM 0 HD22 LEU A 31 -13.574 0.639 -11.382 1.00 63.40 H new ATOM 0 HD23 LEU A 31 -12.722 1.023 -12.897 1.00 63.40 H new ATOM 507 N GLU A 32 -12.898 4.274 -11.880 1.00 34.45 N ATOM 508 CA GLU A 32 -14.144 4.799 -12.427 1.00 63.41 C ATOM 509 C GLU A 32 -13.873 5.694 -13.633 1.00 32.11 C ATOM 510 O GLU A 32 -14.601 5.653 -14.624 1.00 62.24 O ATOM 511 CB GLU A 32 -14.907 5.582 -11.357 1.00 42.42 C ATOM 512 CG GLU A 32 -14.101 6.713 -10.740 1.00 24.54 C ATOM 513 CD GLU A 32 -14.269 8.023 -11.483 1.00 13.52 C ATOM 514 OE1 GLU A 32 -14.956 8.029 -12.526 1.00 12.11 O ATOM 515 OE2 GLU A 32 -13.715 9.043 -11.022 1.00 63.01 O ATOM 0 H GLU A 32 -12.654 4.640 -10.960 1.00 34.45 H new ATOM 0 HA GLU A 32 -14.753 3.955 -12.752 1.00 63.41 H new ATOM 0 HB2 GLU A 32 -15.815 5.993 -11.798 1.00 42.42 H new ATOM 0 HB3 GLU A 32 -15.217 4.896 -10.569 1.00 42.42 H new ATOM 0 HG2 GLU A 32 -14.406 6.847 -9.702 1.00 24.54 H new ATOM 0 HG3 GLU A 32 -13.046 6.438 -10.730 1.00 24.54 H new ATOM 522 N GLU A 33 -12.822 6.502 -13.539 1.00 22.04 N ATOM 523 CA GLU A 33 -12.456 7.408 -14.621 1.00 52.10 C ATOM 524 C GLU A 33 -11.955 6.631 -15.835 1.00 40.30 C ATOM 525 O GLU A 33 -12.195 7.021 -16.978 1.00 14.35 O ATOM 526 CB GLU A 33 -11.382 8.391 -14.152 1.00 1.42 C ATOM 527 CG GLU A 33 -11.239 9.610 -15.048 1.00 62.12 C ATOM 528 CD GLU A 33 -12.390 10.584 -14.896 1.00 55.52 C ATOM 529 OE1 GLU A 33 -13.439 10.368 -15.540 1.00 44.31 O ATOM 530 OE2 GLU A 33 -12.244 11.563 -14.134 1.00 70.22 O ATOM 0 H GLU A 33 -12.209 6.548 -12.725 1.00 22.04 H new ATOM 0 HA GLU A 33 -13.347 7.966 -14.910 1.00 52.10 H new ATOM 0 HB2 GLU A 33 -11.620 8.720 -13.140 1.00 1.42 H new ATOM 0 HB3 GLU A 33 -10.424 7.873 -14.102 1.00 1.42 H new ATOM 0 HG2 GLU A 33 -10.304 10.119 -14.815 1.00 62.12 H new ATOM 0 HG3 GLU A 33 -11.176 9.287 -16.087 1.00 62.12 H new ATOM 537 N SER A 34 -11.256 5.530 -15.578 1.00 73.03 N ATOM 538 CA SER A 34 -10.717 4.700 -16.649 1.00 41.01 C ATOM 539 C SER A 34 -11.840 4.094 -17.485 1.00 70.00 C ATOM 540 O SER A 34 -11.774 4.079 -18.714 1.00 20.54 O ATOM 541 CB SER A 34 -9.841 3.588 -16.069 1.00 4.21 C ATOM 542 OG SER A 34 -10.630 2.585 -15.454 1.00 12.13 O ATOM 0 H SER A 34 -11.050 5.192 -14.638 1.00 73.03 H new ATOM 0 HA SER A 34 -10.109 5.333 -17.295 1.00 41.01 H new ATOM 0 HB2 SER A 34 -9.238 3.145 -16.862 1.00 4.21 H new ATOM 0 HB3 SER A 34 -9.149 4.009 -15.339 1.00 4.21 H new ATOM 0 HG SER A 34 -11.320 3.006 -14.899 1.00 12.13 H new ATOM 548 N GLU A 35 -12.870 3.596 -16.808 1.00 72.24 N ATOM 549 CA GLU A 35 -14.008 2.988 -17.489 1.00 23.44 C ATOM 550 C GLU A 35 -14.957 4.056 -18.022 1.00 54.22 C ATOM 551 O GLU A 35 -15.909 3.754 -18.741 1.00 30.43 O ATOM 552 CB GLU A 35 -14.758 2.052 -16.538 1.00 63.23 C ATOM 553 CG GLU A 35 -14.109 0.686 -16.392 1.00 31.51 C ATOM 554 CD GLU A 35 -14.593 -0.305 -17.433 1.00 51.44 C ATOM 555 OE1 GLU A 35 -15.739 -0.784 -17.308 1.00 34.24 O ATOM 556 OE2 GLU A 35 -13.826 -0.600 -18.374 1.00 33.04 O ATOM 0 H GLU A 35 -12.940 3.601 -15.790 1.00 72.24 H new ATOM 0 HA GLU A 35 -13.629 2.411 -18.332 1.00 23.44 H new ATOM 0 HB2 GLU A 35 -14.823 2.521 -15.556 1.00 63.23 H new ATOM 0 HB3 GLU A 35 -15.779 1.923 -16.898 1.00 63.23 H new ATOM 0 HG2 GLU A 35 -13.027 0.792 -16.472 1.00 31.51 H new ATOM 0 HG3 GLU A 35 -14.318 0.293 -15.397 1.00 31.51 H new ATOM 563 N GLY A 36 -14.691 5.309 -17.664 1.00 70.21 N ATOM 564 CA GLY A 36 -15.530 6.404 -18.115 1.00 33.44 C ATOM 565 C GLY A 36 -16.660 6.703 -17.150 1.00 33.14 C ATOM 566 O GLY A 36 -16.949 7.865 -16.863 1.00 53.25 O ATOM 0 H GLY A 36 -13.909 5.585 -17.070 1.00 70.21 H new ATOM 0 HA2 GLY A 36 -14.919 7.298 -18.242 1.00 33.44 H new ATOM 0 HA3 GLY A 36 -15.946 6.160 -19.093 1.00 33.44 H new ATOM 570 N ILE A 37 -17.302 5.653 -16.648 1.00 63.12 N ATOM 571 CA ILE A 37 -18.407 5.810 -15.711 1.00 23.45 C ATOM 572 C ILE A 37 -18.329 4.776 -14.592 1.00 11.32 C ATOM 573 O ILE A 37 -17.747 3.702 -14.744 1.00 42.33 O ATOM 574 CB ILE A 37 -19.768 5.682 -16.419 1.00 34.14 C ATOM 575 CG1 ILE A 37 -19.774 4.463 -17.344 1.00 14.23 C ATOM 576 CG2 ILE A 37 -20.079 6.949 -17.201 1.00 14.10 C ATOM 577 CD1 ILE A 37 -21.146 3.854 -17.532 1.00 12.11 C ATOM 0 H ILE A 37 -17.076 4.685 -16.875 1.00 63.12 H new ATOM 0 HA ILE A 37 -18.321 6.810 -15.286 1.00 23.45 H new ATOM 0 HB ILE A 37 -20.542 5.545 -15.664 1.00 34.14 H new ATOM 0 HG12 ILE A 37 -19.378 4.753 -18.317 1.00 14.23 H new ATOM 0 HG13 ILE A 37 -19.102 3.706 -16.939 1.00 14.23 H new ATOM 0 HG21 ILE A 37 -21.044 6.843 -17.696 1.00 14.10 H new ATOM 0 HG22 ILE A 37 -20.112 7.799 -16.519 1.00 14.10 H new ATOM 0 HG23 ILE A 37 -19.304 7.114 -17.949 1.00 14.10 H new ATOM 0 HD11 ILE A 37 -21.074 2.995 -18.199 1.00 12.11 H new ATOM 0 HD12 ILE A 37 -21.537 3.532 -16.567 1.00 12.11 H new ATOM 0 HD13 ILE A 37 -21.817 4.595 -17.966 1.00 12.11 H new ATOM 589 N PRO A 38 -18.931 5.105 -13.440 1.00 15.45 N ATOM 590 CA PRO A 38 -18.947 4.218 -12.273 1.00 2.23 C ATOM 591 C PRO A 38 -19.820 2.988 -12.491 1.00 74.35 C ATOM 592 O PRO A 38 -20.888 3.072 -13.096 1.00 53.25 O ATOM 593 CB PRO A 38 -19.531 5.099 -11.165 1.00 70.32 C ATOM 594 CG PRO A 38 -20.348 6.117 -11.882 1.00 74.04 C ATOM 595 CD PRO A 38 -19.645 6.369 -13.187 1.00 65.11 C ATOM 0 HA PRO A 38 -17.956 3.826 -12.046 1.00 2.23 H new ATOM 0 HB2 PRO A 38 -20.141 4.516 -10.476 1.00 70.32 H new ATOM 0 HB3 PRO A 38 -18.743 5.568 -10.575 1.00 70.32 H new ATOM 0 HG2 PRO A 38 -21.363 5.756 -12.049 1.00 74.04 H new ATOM 0 HG3 PRO A 38 -20.428 7.034 -11.299 1.00 74.04 H new ATOM 0 HD2 PRO A 38 -20.350 6.599 -13.986 1.00 65.11 H new ATOM 0 HD3 PRO A 38 -18.957 7.212 -13.117 1.00 65.11 H new ATOM 603 N GLY A 39 -19.359 1.844 -11.994 1.00 72.14 N ATOM 604 CA GLY A 39 -20.112 0.612 -12.146 1.00 3.31 C ATOM 605 C GLY A 39 -21.528 0.730 -11.619 1.00 31.43 C ATOM 606 O GLY A 39 -22.483 0.357 -12.299 1.00 12.24 O ATOM 0 H GLY A 39 -18.478 1.748 -11.489 1.00 72.14 H new ATOM 0 HA2 GLY A 39 -20.142 0.335 -13.200 1.00 3.31 H new ATOM 0 HA3 GLY A 39 -19.597 -0.192 -11.620 1.00 3.31 H new ATOM 610 N ASN A 40 -21.664 1.248 -10.402 1.00 70.53 N ATOM 611 CA ASN A 40 -22.974 1.411 -9.783 1.00 74.41 C ATOM 612 C ASN A 40 -22.839 1.885 -8.339 1.00 64.14 C ATOM 613 O ASN A 40 -23.260 2.989 -7.996 1.00 70.01 O ATOM 614 CB ASN A 40 -23.750 0.093 -9.828 1.00 33.31 C ATOM 615 CG ASN A 40 -25.073 0.225 -10.558 1.00 11.13 C ATOM 616 OD1 ASN A 40 -25.155 -0.005 -11.764 1.00 62.43 O ATOM 617 ND2 ASN A 40 -26.117 0.598 -9.827 1.00 10.42 N ATOM 0 H ASN A 40 -20.883 1.562 -9.826 1.00 70.53 H new ATOM 0 HA ASN A 40 -23.522 2.167 -10.345 1.00 74.41 H new ATOM 0 HB2 ASN A 40 -23.142 -0.667 -10.319 1.00 33.31 H new ATOM 0 HB3 ASN A 40 -23.933 -0.253 -8.811 1.00 33.31 H new ATOM 0 HD21 ASN A 40 -27.033 0.704 -10.263 1.00 10.42 H new ATOM 0 HD22 ASN A 40 -26.003 0.778 -8.830 1.00 10.42 H new ATOM 624 N MET A 41 -22.247 1.043 -7.499 1.00 21.42 N ATOM 625 CA MET A 41 -22.054 1.377 -6.092 1.00 61.44 C ATOM 626 C MET A 41 -20.596 1.729 -5.813 1.00 14.15 C ATOM 627 O MET A 41 -20.307 2.687 -5.095 1.00 41.11 O ATOM 628 CB MET A 41 -22.488 0.209 -5.205 1.00 21.24 C ATOM 629 CG MET A 41 -22.071 0.363 -3.751 1.00 30.11 C ATOM 630 SD MET A 41 -23.216 1.385 -2.805 1.00 31.14 S ATOM 631 CE MET A 41 -22.521 3.013 -3.076 1.00 63.02 C ATOM 0 H MET A 41 -21.893 0.125 -7.767 1.00 21.42 H new ATOM 0 HA MET A 41 -22.670 2.246 -5.862 1.00 61.44 H new ATOM 0 HB2 MET A 41 -23.572 0.109 -5.255 1.00 21.24 H new ATOM 0 HB3 MET A 41 -22.064 -0.714 -5.600 1.00 21.24 H new ATOM 0 HG2 MET A 41 -22.004 -0.622 -3.290 1.00 30.11 H new ATOM 0 HG3 MET A 41 -21.075 0.804 -3.707 1.00 30.11 H new ATOM 0 HE1 MET A 41 -22.847 3.684 -2.282 1.00 63.02 H new ATOM 0 HE2 MET A 41 -21.433 2.949 -3.074 1.00 63.02 H new ATOM 0 HE3 MET A 41 -22.860 3.398 -4.038 1.00 63.02 H new ATOM 641 N ILE A 42 -19.684 0.949 -6.382 1.00 42.54 N ATOM 642 CA ILE A 42 -18.257 1.181 -6.194 1.00 71.21 C ATOM 643 C ILE A 42 -17.896 1.211 -4.713 1.00 1.41 C ATOM 644 O ILE A 42 -17.277 2.162 -4.234 1.00 35.01 O ATOM 645 CB ILE A 42 -17.810 2.502 -6.847 1.00 61.14 C ATOM 646 CG1 ILE A 42 -18.503 2.688 -8.199 1.00 10.13 C ATOM 647 CG2 ILE A 42 -16.298 2.525 -7.014 1.00 1.22 C ATOM 648 CD1 ILE A 42 -19.725 3.577 -8.133 1.00 74.24 C ATOM 0 H ILE A 42 -19.907 0.151 -6.977 1.00 42.54 H new ATOM 0 HA ILE A 42 -17.737 0.353 -6.676 1.00 71.21 H new ATOM 0 HB ILE A 42 -18.097 3.328 -6.196 1.00 61.14 H new ATOM 0 HG12 ILE A 42 -17.792 3.113 -8.907 1.00 10.13 H new ATOM 0 HG13 ILE A 42 -18.794 1.712 -8.587 1.00 10.13 H new ATOM 0 HG21 ILE A 42 -15.997 3.465 -7.477 1.00 1.22 H new ATOM 0 HG22 ILE A 42 -15.823 2.433 -6.037 1.00 1.22 H new ATOM 0 HG23 ILE A 42 -15.989 1.694 -7.648 1.00 1.22 H new ATOM 0 HD11 ILE A 42 -20.165 3.665 -9.126 1.00 74.24 H new ATOM 0 HD12 ILE A 42 -20.455 3.142 -7.450 1.00 74.24 H new ATOM 0 HD13 ILE A 42 -19.437 4.566 -7.776 1.00 74.24 H new ATOM 660 N ARG A 43 -18.285 0.164 -3.993 1.00 2.11 N ATOM 661 CA ARG A 43 -18.001 0.070 -2.566 1.00 15.41 C ATOM 662 C ARG A 43 -17.241 -1.213 -2.246 1.00 4.12 C ATOM 663 O ARG A 43 -17.736 -2.316 -2.480 1.00 31.00 O ATOM 664 CB ARG A 43 -19.302 0.119 -1.762 1.00 0.02 C ATOM 665 CG ARG A 43 -19.804 1.530 -1.500 1.00 22.40 C ATOM 666 CD ARG A 43 -18.858 2.298 -0.590 1.00 61.51 C ATOM 667 NE ARG A 43 -19.464 3.525 -0.081 1.00 20.21 N ATOM 668 CZ ARG A 43 -18.763 4.548 0.394 1.00 11.40 C ATOM 669 NH1 ARG A 43 -17.439 4.492 0.424 1.00 2.23 N ATOM 670 NH2 ARG A 43 -19.387 5.631 0.840 1.00 50.55 N ATOM 0 H ARG A 43 -18.798 -0.631 -4.374 1.00 2.11 H new ATOM 0 HA ARG A 43 -17.377 0.920 -2.288 1.00 15.41 H new ATOM 0 HB2 ARG A 43 -20.071 -0.438 -2.297 1.00 0.02 H new ATOM 0 HB3 ARG A 43 -19.149 -0.386 -0.808 1.00 0.02 H new ATOM 0 HG2 ARG A 43 -19.911 2.061 -2.446 1.00 22.40 H new ATOM 0 HG3 ARG A 43 -20.793 1.487 -1.045 1.00 22.40 H new ATOM 0 HD2 ARG A 43 -18.566 1.664 0.247 1.00 61.51 H new ATOM 0 HD3 ARG A 43 -17.948 2.543 -1.137 1.00 61.51 H new ATOM 0 HE ARG A 43 -20.481 3.601 -0.091 1.00 20.21 H new ATOM 0 HH11 ARG A 43 -16.956 3.662 0.082 1.00 2.23 H new ATOM 0 HH12 ARG A 43 -16.903 5.279 0.789 1.00 2.23 H new ATOM 0 HH21 ARG A 43 -20.406 5.678 0.818 1.00 50.55 H new ATOM 0 HH22 ARG A 43 -18.848 6.416 1.205 1.00 50.55 H new ATOM 684 N LEU A 44 -16.035 -1.061 -1.710 1.00 24.31 N ATOM 685 CA LEU A 44 -15.204 -2.208 -1.358 1.00 12.13 C ATOM 686 C LEU A 44 -15.178 -2.418 0.153 1.00 41.31 C ATOM 687 O LEU A 44 -15.407 -1.485 0.924 1.00 64.52 O ATOM 688 CB LEU A 44 -13.781 -2.012 -1.882 1.00 4.33 C ATOM 689 CG LEU A 44 -13.065 -0.741 -1.422 1.00 12.13 C ATOM 690 CD1 LEU A 44 -11.750 -1.086 -0.740 1.00 52.41 C ATOM 691 CD2 LEU A 44 -12.829 0.194 -2.599 1.00 22.10 C ATOM 0 H LEU A 44 -15.611 -0.155 -1.510 1.00 24.31 H new ATOM 0 HA LEU A 44 -15.636 -3.095 -1.822 1.00 12.13 H new ATOM 0 HB2 LEU A 44 -13.183 -2.872 -1.580 1.00 4.33 H new ATOM 0 HB3 LEU A 44 -13.813 -2.013 -2.972 1.00 4.33 H new ATOM 0 HG LEU A 44 -13.701 -0.230 -0.700 1.00 12.13 H new ATOM 0 HD11 LEU A 44 -11.255 -0.169 -0.420 1.00 52.41 H new ATOM 0 HD12 LEU A 44 -11.945 -1.716 0.128 1.00 52.41 H new ATOM 0 HD13 LEU A 44 -11.107 -1.620 -1.439 1.00 52.41 H new ATOM 0 HD21 LEU A 44 -12.319 1.093 -2.253 1.00 22.10 H new ATOM 0 HD22 LEU A 44 -12.213 -0.308 -3.345 1.00 22.10 H new ATOM 0 HD23 LEU A 44 -13.786 0.468 -3.043 1.00 22.10 H new ATOM 703 N VAL A 45 -14.895 -3.648 0.570 1.00 53.14 N ATOM 704 CA VAL A 45 -14.835 -3.980 1.988 1.00 14.21 C ATOM 705 C VAL A 45 -13.422 -4.373 2.401 1.00 5.53 C ATOM 706 O VAL A 45 -12.864 -5.347 1.896 1.00 21.11 O ATOM 707 CB VAL A 45 -15.799 -5.130 2.336 1.00 25.25 C ATOM 708 CG1 VAL A 45 -15.826 -5.367 3.839 1.00 73.12 C ATOM 709 CG2 VAL A 45 -17.194 -4.834 1.809 1.00 14.02 C ATOM 0 H VAL A 45 -14.704 -4.431 -0.055 1.00 53.14 H new ATOM 0 HA VAL A 45 -15.135 -3.086 2.536 1.00 14.21 H new ATOM 0 HB VAL A 45 -15.440 -6.040 1.855 1.00 25.25 H new ATOM 0 HG11 VAL A 45 -16.512 -6.183 4.066 1.00 73.12 H new ATOM 0 HG12 VAL A 45 -14.825 -5.627 4.184 1.00 73.12 H new ATOM 0 HG13 VAL A 45 -16.160 -4.461 4.344 1.00 73.12 H new ATOM 0 HG21 VAL A 45 -17.862 -5.657 2.064 1.00 14.02 H new ATOM 0 HG22 VAL A 45 -17.565 -3.913 2.259 1.00 14.02 H new ATOM 0 HG23 VAL A 45 -17.157 -4.719 0.726 1.00 14.02 H new ATOM 719 N TYR A 46 -12.847 -3.608 3.323 1.00 21.12 N ATOM 720 CA TYR A 46 -11.496 -3.875 3.804 1.00 54.22 C ATOM 721 C TYR A 46 -11.529 -4.577 5.158 1.00 63.33 C ATOM 722 O TYR A 46 -11.992 -4.015 6.149 1.00 2.34 O ATOM 723 CB TYR A 46 -10.704 -2.571 3.912 1.00 12.21 C ATOM 724 CG TYR A 46 -9.283 -2.682 3.410 1.00 65.43 C ATOM 725 CD1 TYR A 46 -8.491 -3.774 3.744 1.00 24.12 C ATOM 726 CD2 TYR A 46 -8.731 -1.696 2.602 1.00 63.13 C ATOM 727 CE1 TYR A 46 -7.191 -3.880 3.288 1.00 21.22 C ATOM 728 CE2 TYR A 46 -7.433 -1.795 2.140 1.00 45.51 C ATOM 729 CZ TYR A 46 -6.667 -2.888 2.486 1.00 24.20 C ATOM 730 OH TYR A 46 -5.372 -2.989 2.029 1.00 35.22 O ATOM 0 H TYR A 46 -13.295 -2.798 3.752 1.00 21.12 H new ATOM 0 HA TYR A 46 -11.005 -4.532 3.086 1.00 54.22 H new ATOM 0 HB2 TYR A 46 -11.220 -1.795 3.347 1.00 12.21 H new ATOM 0 HB3 TYR A 46 -10.688 -2.251 4.954 1.00 12.21 H new ATOM 0 HD1 TYR A 46 -8.899 -4.553 4.371 1.00 24.12 H new ATOM 0 HD2 TYR A 46 -9.327 -0.837 2.330 1.00 63.13 H new ATOM 0 HE1 TYR A 46 -6.589 -4.735 3.558 1.00 21.22 H new ATOM 0 HE2 TYR A 46 -7.020 -1.020 1.511 1.00 45.51 H new ATOM 0 HH TYR A 46 -5.158 -2.209 1.476 1.00 35.22 H new ATOM 740 N GLN A 47 -11.033 -5.810 5.189 1.00 4.13 N ATOM 741 CA GLN A 47 -11.004 -6.590 6.421 1.00 73.12 C ATOM 742 C GLN A 47 -12.401 -6.709 7.022 1.00 2.53 C ATOM 743 O GLN A 47 -12.563 -6.724 8.242 1.00 71.23 O ATOM 744 CB GLN A 47 -10.053 -5.950 7.433 1.00 23.21 C ATOM 745 CG GLN A 47 -9.147 -6.950 8.134 1.00 73.44 C ATOM 746 CD GLN A 47 -8.685 -6.467 9.494 1.00 14.40 C ATOM 747 OE1 GLN A 47 -7.731 -5.696 9.601 1.00 63.34 O ATOM 748 NE2 GLN A 47 -9.362 -6.917 10.544 1.00 54.11 N ATOM 0 H GLN A 47 -10.646 -6.290 4.376 1.00 4.13 H new ATOM 0 HA GLN A 47 -10.645 -7.591 6.180 1.00 73.12 H new ATOM 0 HB2 GLN A 47 -9.437 -5.210 6.922 1.00 23.21 H new ATOM 0 HB3 GLN A 47 -10.638 -5.416 8.181 1.00 23.21 H new ATOM 0 HG2 GLN A 47 -9.677 -7.895 8.249 1.00 73.44 H new ATOM 0 HG3 GLN A 47 -8.277 -7.147 7.508 1.00 73.44 H new ATOM 0 HE21 GLN A 47 -10.146 -7.555 10.410 1.00 54.11 H new ATOM 0 HE22 GLN A 47 -9.098 -6.625 11.485 1.00 54.11 H new ATOM 757 N GLY A 48 -13.407 -6.791 6.158 1.00 74.45 N ATOM 758 CA GLY A 48 -14.777 -6.907 6.623 1.00 53.24 C ATOM 759 C GLY A 48 -15.370 -5.569 7.017 1.00 12.24 C ATOM 760 O GLY A 48 -16.504 -5.499 7.492 1.00 52.04 O ATOM 0 H GLY A 48 -13.298 -6.779 5.144 1.00 74.45 H new ATOM 0 HA2 GLY A 48 -15.387 -7.355 5.838 1.00 53.24 H new ATOM 0 HA3 GLY A 48 -14.811 -7.582 7.478 1.00 53.24 H new ATOM 764 N LYS A 49 -14.601 -4.503 6.824 1.00 54.54 N ATOM 765 CA LYS A 49 -15.056 -3.159 7.163 1.00 62.22 C ATOM 766 C LYS A 49 -15.426 -2.377 5.907 1.00 53.21 C ATOM 767 O LYS A 49 -14.989 -2.710 4.806 1.00 24.31 O ATOM 768 CB LYS A 49 -13.970 -2.412 7.940 1.00 64.20 C ATOM 769 CG LYS A 49 -14.385 -2.029 9.350 1.00 50.12 C ATOM 770 CD LYS A 49 -14.662 -3.256 10.203 1.00 42.44 C ATOM 771 CE LYS A 49 -13.387 -4.035 10.488 1.00 11.24 C ATOM 772 NZ LYS A 49 -13.539 -4.933 11.666 1.00 23.42 N ATOM 0 H LYS A 49 -13.659 -4.543 6.434 1.00 54.54 H new ATOM 0 HA LYS A 49 -15.944 -3.250 7.788 1.00 62.22 H new ATOM 0 HB2 LYS A 49 -13.077 -3.035 7.990 1.00 64.20 H new ATOM 0 HB3 LYS A 49 -13.699 -1.509 7.392 1.00 64.20 H new ATOM 0 HG2 LYS A 49 -13.598 -1.433 9.813 1.00 50.12 H new ATOM 0 HG3 LYS A 49 -15.277 -1.403 9.310 1.00 50.12 H new ATOM 0 HD2 LYS A 49 -15.121 -2.951 11.143 1.00 42.44 H new ATOM 0 HD3 LYS A 49 -15.378 -3.901 9.693 1.00 42.44 H new ATOM 0 HE2 LYS A 49 -13.119 -4.626 9.612 1.00 11.24 H new ATOM 0 HE3 LYS A 49 -12.567 -3.339 10.665 1.00 11.24 H new ATOM 0 HZ1 LYS A 49 -12.649 -5.447 11.828 1.00 23.42 H new ATOM 0 HZ2 LYS A 49 -13.770 -4.366 12.507 1.00 23.42 H new ATOM 0 HZ3 LYS A 49 -14.304 -5.614 11.487 1.00 23.42 H new ATOM 786 N GLN A 50 -16.233 -1.335 6.081 1.00 74.24 N ATOM 787 CA GLN A 50 -16.661 -0.506 4.960 1.00 11.33 C ATOM 788 C GLN A 50 -16.125 0.915 5.100 1.00 54.45 C ATOM 789 O GLN A 50 -15.753 1.346 6.192 1.00 33.31 O ATOM 790 CB GLN A 50 -18.188 -0.481 4.870 1.00 21.31 C ATOM 791 CG GLN A 50 -18.828 -1.853 5.014 1.00 1.44 C ATOM 792 CD GLN A 50 -20.150 -1.959 4.281 1.00 35.53 C ATOM 793 OE1 GLN A 50 -20.187 -2.197 3.074 1.00 63.43 O ATOM 794 NE2 GLN A 50 -21.247 -1.784 5.009 1.00 10.03 N ATOM 0 H GLN A 50 -16.603 -1.045 6.986 1.00 74.24 H new ATOM 0 HA GLN A 50 -16.258 -0.939 4.045 1.00 11.33 H new ATOM 0 HB2 GLN A 50 -18.579 0.176 5.647 1.00 21.31 H new ATOM 0 HB3 GLN A 50 -18.480 -0.051 3.912 1.00 21.31 H new ATOM 0 HG2 GLN A 50 -18.144 -2.611 4.633 1.00 1.44 H new ATOM 0 HG3 GLN A 50 -18.985 -2.068 6.071 1.00 1.44 H new ATOM 0 HE21 GLN A 50 -21.171 -1.588 6.007 1.00 10.03 H new ATOM 0 HE22 GLN A 50 -22.166 -1.845 4.570 1.00 10.03 H new ATOM 803 N LEU A 51 -16.088 1.640 3.987 1.00 74.03 N ATOM 804 CA LEU A 51 -15.598 3.014 3.984 1.00 24.22 C ATOM 805 C LEU A 51 -14.125 3.067 4.378 1.00 20.42 C ATOM 806 O LEU A 51 -13.781 2.919 5.550 1.00 11.34 O ATOM 807 CB LEU A 51 -16.425 3.873 4.942 1.00 43.43 C ATOM 808 CG LEU A 51 -17.934 3.630 4.928 1.00 12.25 C ATOM 809 CD1 LEU A 51 -18.617 4.454 6.009 1.00 31.02 C ATOM 810 CD2 LEU A 51 -18.515 3.956 3.560 1.00 21.11 C ATOM 0 H LEU A 51 -16.392 1.299 3.075 1.00 74.03 H new ATOM 0 HA LEU A 51 -15.699 3.408 2.973 1.00 24.22 H new ATOM 0 HB2 LEU A 51 -16.060 3.706 5.955 1.00 43.43 H new ATOM 0 HB3 LEU A 51 -16.244 4.922 4.706 1.00 43.43 H new ATOM 0 HG LEU A 51 -18.114 2.575 5.135 1.00 12.25 H new ATOM 0 HD11 LEU A 51 -19.691 4.268 5.984 1.00 31.02 H new ATOM 0 HD12 LEU A 51 -18.222 4.172 6.985 1.00 31.02 H new ATOM 0 HD13 LEU A 51 -18.428 5.513 5.833 1.00 31.02 H new ATOM 0 HD21 LEU A 51 -19.590 3.777 3.569 1.00 21.11 H new ATOM 0 HD22 LEU A 51 -18.323 5.003 3.323 1.00 21.11 H new ATOM 0 HD23 LEU A 51 -18.048 3.322 2.806 1.00 21.11 H new ATOM 822 N GLU A 52 -13.261 3.280 3.391 1.00 62.12 N ATOM 823 CA GLU A 52 -11.825 3.354 3.636 1.00 72.33 C ATOM 824 C GLU A 52 -11.249 4.662 3.102 1.00 63.23 C ATOM 825 O GLU A 52 -10.055 4.929 3.242 1.00 51.44 O ATOM 826 CB GLU A 52 -11.113 2.166 2.985 1.00 44.31 C ATOM 827 CG GLU A 52 -11.657 0.816 3.421 1.00 3.31 C ATOM 828 CD GLU A 52 -11.123 0.381 4.772 1.00 13.33 C ATOM 829 OE1 GLU A 52 -9.889 0.245 4.908 1.00 55.31 O ATOM 830 OE2 GLU A 52 -11.941 0.177 5.694 1.00 4.13 O ATOM 0 H GLU A 52 -13.530 3.404 2.415 1.00 62.12 H new ATOM 0 HA GLU A 52 -11.663 3.319 4.713 1.00 72.33 H new ATOM 0 HB2 GLU A 52 -11.200 2.250 1.902 1.00 44.31 H new ATOM 0 HB3 GLU A 52 -10.051 2.215 3.224 1.00 44.31 H new ATOM 0 HG2 GLU A 52 -12.745 0.863 3.463 1.00 3.31 H new ATOM 0 HG3 GLU A 52 -11.399 0.066 2.674 1.00 3.31 H new ATOM 837 N ASP A 53 -12.105 5.472 2.489 1.00 3.12 N ATOM 838 CA ASP A 53 -11.682 6.753 1.934 1.00 21.32 C ATOM 839 C ASP A 53 -10.976 7.597 2.991 1.00 34.31 C ATOM 840 O ASP A 53 -9.972 8.249 2.708 1.00 12.24 O ATOM 841 CB ASP A 53 -12.886 7.513 1.376 1.00 2.43 C ATOM 842 CG ASP A 53 -12.615 8.099 0.004 1.00 14.45 C ATOM 843 OD1 ASP A 53 -11.816 9.055 -0.086 1.00 31.11 O ATOM 844 OD2 ASP A 53 -13.202 7.602 -0.979 1.00 34.11 O ATOM 0 H ASP A 53 -13.096 5.265 2.364 1.00 3.12 H new ATOM 0 HA ASP A 53 -10.979 6.556 1.124 1.00 21.32 H new ATOM 0 HB2 ASP A 53 -13.742 6.840 1.318 1.00 2.43 H new ATOM 0 HB3 ASP A 53 -13.157 8.315 2.063 1.00 2.43 H new ATOM 849 N GLU A 54 -11.510 7.579 4.208 1.00 12.05 N ATOM 850 CA GLU A 54 -10.932 8.345 5.307 1.00 61.35 C ATOM 851 C GLU A 54 -9.568 7.786 5.700 1.00 22.45 C ATOM 852 O GLU A 54 -8.749 8.481 6.302 1.00 21.00 O ATOM 853 CB GLU A 54 -11.869 8.332 6.516 1.00 73.41 C ATOM 854 CG GLU A 54 -12.243 9.719 7.011 1.00 20.43 C ATOM 855 CD GLU A 54 -13.339 9.688 8.059 1.00 3.21 C ATOM 856 OE1 GLU A 54 -13.292 8.807 8.942 1.00 22.40 O ATOM 857 OE2 GLU A 54 -14.243 10.547 7.996 1.00 53.04 O ATOM 0 H GLU A 54 -12.341 7.043 4.458 1.00 12.05 H new ATOM 0 HA GLU A 54 -10.801 9.373 4.970 1.00 61.35 H new ATOM 0 HB2 GLU A 54 -12.779 7.791 6.254 1.00 73.41 H new ATOM 0 HB3 GLU A 54 -11.393 7.782 7.328 1.00 73.41 H new ATOM 0 HG2 GLU A 54 -11.360 10.202 7.429 1.00 20.43 H new ATOM 0 HG3 GLU A 54 -12.570 10.326 6.167 1.00 20.43 H new ATOM 864 N LYS A 55 -9.331 6.524 5.357 1.00 5.14 N ATOM 865 CA LYS A 55 -8.067 5.870 5.673 1.00 25.54 C ATOM 866 C LYS A 55 -7.120 5.909 4.478 1.00 4.12 C ATOM 867 O LYS A 55 -6.410 4.941 4.205 1.00 43.35 O ATOM 868 CB LYS A 55 -8.311 4.419 6.096 1.00 53.12 C ATOM 869 CG LYS A 55 -8.733 4.271 7.547 1.00 1.25 C ATOM 870 CD LYS A 55 -10.202 4.610 7.739 1.00 43.12 C ATOM 871 CE LYS A 55 -10.882 3.630 8.683 1.00 65.15 C ATOM 872 NZ LYS A 55 -12.361 3.629 8.510 1.00 24.10 N ATOM 0 H LYS A 55 -9.998 5.934 4.860 1.00 5.14 H new ATOM 0 HA LYS A 55 -7.604 6.410 6.499 1.00 25.54 H new ATOM 0 HB2 LYS A 55 -9.081 3.988 5.457 1.00 53.12 H new ATOM 0 HB3 LYS A 55 -7.400 3.843 5.931 1.00 53.12 H new ATOM 0 HG2 LYS A 55 -8.548 3.249 7.878 1.00 1.25 H new ATOM 0 HG3 LYS A 55 -8.124 4.923 8.172 1.00 1.25 H new ATOM 0 HD2 LYS A 55 -10.294 5.621 8.135 1.00 43.12 H new ATOM 0 HD3 LYS A 55 -10.708 4.598 6.774 1.00 43.12 H new ATOM 0 HE2 LYS A 55 -10.495 2.627 8.505 1.00 65.15 H new ATOM 0 HE3 LYS A 55 -10.637 3.889 9.713 1.00 65.15 H new ATOM 0 HZ1 LYS A 55 -12.786 2.936 9.159 1.00 24.10 H new ATOM 0 HZ2 LYS A 55 -12.736 4.576 8.721 1.00 24.10 H new ATOM 0 HZ3 LYS A 55 -12.596 3.374 7.529 1.00 24.10 H new ATOM 886 N ARG A 56 -7.113 7.034 3.771 1.00 14.30 N ATOM 887 CA ARG A 56 -6.253 7.199 2.606 1.00 52.45 C ATOM 888 C ARG A 56 -4.819 6.789 2.926 1.00 41.21 C ATOM 889 O ARG A 56 -4.387 5.687 2.587 1.00 65.33 O ATOM 890 CB ARG A 56 -6.284 8.651 2.124 1.00 53.12 C ATOM 891 CG ARG A 56 -6.482 9.660 3.243 1.00 4.21 C ATOM 892 CD ARG A 56 -7.910 10.181 3.278 1.00 21.14 C ATOM 893 NE ARG A 56 -7.966 11.604 3.603 1.00 21.44 N ATOM 894 CZ ARG A 56 -9.087 12.316 3.593 1.00 42.34 C ATOM 895 NH1 ARG A 56 -10.239 11.742 3.275 1.00 23.41 N ATOM 896 NH2 ARG A 56 -9.057 13.607 3.900 1.00 30.33 N ATOM 0 H ARG A 56 -7.694 7.845 3.985 1.00 14.30 H new ATOM 0 HA ARG A 56 -6.629 6.552 1.814 1.00 52.45 H new ATOM 0 HB2 ARG A 56 -5.351 8.873 1.607 1.00 53.12 H new ATOM 0 HB3 ARG A 56 -7.087 8.766 1.396 1.00 53.12 H new ATOM 0 HG2 ARG A 56 -6.239 9.197 4.199 1.00 4.21 H new ATOM 0 HG3 ARG A 56 -5.793 10.494 3.109 1.00 4.21 H new ATOM 0 HD2 ARG A 56 -8.381 10.011 2.310 1.00 21.14 H new ATOM 0 HD3 ARG A 56 -8.483 9.618 4.015 1.00 21.14 H new ATOM 0 HE ARG A 56 -7.097 12.077 3.851 1.00 21.44 H new ATOM 0 HH11 ARG A 56 -10.266 10.751 3.037 1.00 23.41 H new ATOM 0 HH12 ARG A 56 -11.098 12.292 3.268 1.00 23.41 H new ATOM 0 HH21 ARG A 56 -8.173 14.053 4.144 1.00 30.33 H new ATOM 0 HH22 ARG A 56 -9.918 14.153 3.892 1.00 30.33 H new ATOM 910 N LEU A 57 -4.086 7.683 3.580 1.00 23.14 N ATOM 911 CA LEU A 57 -2.699 7.415 3.947 1.00 73.44 C ATOM 912 C LEU A 57 -2.609 6.237 4.912 1.00 12.43 C ATOM 913 O LEU A 57 -1.663 5.451 4.863 1.00 33.23 O ATOM 914 CB LEU A 57 -2.069 8.657 4.578 1.00 24.24 C ATOM 915 CG LEU A 57 -0.542 8.729 4.537 1.00 43.10 C ATOM 916 CD1 LEU A 57 -0.068 10.155 4.770 1.00 14.42 C ATOM 917 CD2 LEU A 57 0.065 7.789 5.568 1.00 31.40 C ATOM 0 H LEU A 57 -4.428 8.600 3.867 1.00 23.14 H new ATOM 0 HA LEU A 57 -2.151 7.159 3.040 1.00 73.44 H new ATOM 0 HB2 LEU A 57 -2.468 9.538 4.075 1.00 24.24 H new ATOM 0 HB3 LEU A 57 -2.388 8.713 5.619 1.00 24.24 H new ATOM 0 HG LEU A 57 -0.210 8.414 3.548 1.00 43.10 H new ATOM 0 HD11 LEU A 57 1.021 10.186 4.737 1.00 14.42 H new ATOM 0 HD12 LEU A 57 -0.473 10.804 3.994 1.00 14.42 H new ATOM 0 HD13 LEU A 57 -0.412 10.498 5.746 1.00 14.42 H new ATOM 0 HD21 LEU A 57 1.152 7.854 5.524 1.00 31.40 H new ATOM 0 HD22 LEU A 57 -0.275 8.073 6.564 1.00 31.40 H new ATOM 0 HD23 LEU A 57 -0.246 6.766 5.356 1.00 31.40 H new ATOM 929 N LYS A 58 -3.601 6.121 5.789 1.00 21.10 N ATOM 930 CA LYS A 58 -3.637 5.038 6.765 1.00 61.13 C ATOM 931 C LYS A 58 -3.612 3.680 6.071 1.00 32.40 C ATOM 932 O LYS A 58 -3.164 2.687 6.645 1.00 32.02 O ATOM 933 CB LYS A 58 -4.887 5.153 7.639 1.00 14.12 C ATOM 934 CG LYS A 58 -4.583 5.389 9.108 1.00 4.14 C ATOM 935 CD LYS A 58 -5.064 4.234 9.970 1.00 24.22 C ATOM 936 CE LYS A 58 -4.398 4.244 11.338 1.00 63.33 C ATOM 937 NZ LYS A 58 -5.362 3.923 12.426 1.00 22.04 N ATOM 0 H LYS A 58 -4.391 6.764 5.844 1.00 21.10 H new ATOM 0 HA LYS A 58 -2.752 5.121 7.396 1.00 61.13 H new ATOM 0 HB2 LYS A 58 -5.505 5.971 7.269 1.00 14.12 H new ATOM 0 HB3 LYS A 58 -5.474 4.240 7.540 1.00 14.12 H new ATOM 0 HG2 LYS A 58 -3.509 5.521 9.242 1.00 4.14 H new ATOM 0 HG3 LYS A 58 -5.061 6.312 9.436 1.00 4.14 H new ATOM 0 HD2 LYS A 58 -6.146 4.294 10.090 1.00 24.22 H new ATOM 0 HD3 LYS A 58 -4.851 3.290 9.468 1.00 24.22 H new ATOM 0 HE2 LYS A 58 -3.583 3.521 11.350 1.00 63.33 H new ATOM 0 HE3 LYS A 58 -3.958 5.224 11.520 1.00 63.33 H new ATOM 0 HZ1 LYS A 58 -4.870 3.940 13.342 1.00 22.04 H new ATOM 0 HZ2 LYS A 58 -6.127 4.627 12.431 1.00 22.04 H new ATOM 0 HZ3 LYS A 58 -5.764 2.977 12.266 1.00 22.04 H new ATOM 951 N ASP A 59 -4.095 3.644 4.834 1.00 65.52 N ATOM 952 CA ASP A 59 -4.125 2.407 4.061 1.00 52.21 C ATOM 953 C ASP A 59 -2.773 2.142 3.406 1.00 12.11 C ATOM 954 O ASP A 59 -2.493 1.027 2.966 1.00 73.21 O ATOM 955 CB ASP A 59 -5.218 2.475 2.993 1.00 14.14 C ATOM 956 CG ASP A 59 -6.529 1.880 3.468 1.00 32.53 C ATOM 957 OD1 ASP A 59 -6.834 2.002 4.673 1.00 52.31 O ATOM 958 OD2 ASP A 59 -7.250 1.290 2.636 1.00 64.14 O ATOM 0 H ASP A 59 -4.471 4.456 4.345 1.00 65.52 H new ATOM 0 HA ASP A 59 -4.345 1.586 4.744 1.00 52.21 H new ATOM 0 HB2 ASP A 59 -5.377 3.514 2.706 1.00 14.14 H new ATOM 0 HB3 ASP A 59 -4.884 1.945 2.101 1.00 14.14 H new ATOM 963 N TYR A 60 -1.939 3.174 3.344 1.00 12.13 N ATOM 964 CA TYR A 60 -0.618 3.054 2.740 1.00 63.32 C ATOM 965 C TYR A 60 0.339 2.307 3.665 1.00 15.20 C ATOM 966 O TYR A 60 1.344 1.754 3.220 1.00 73.01 O ATOM 967 CB TYR A 60 -0.054 4.438 2.415 1.00 13.22 C ATOM 968 CG TYR A 60 1.312 4.400 1.769 1.00 22.43 C ATOM 969 CD1 TYR A 60 1.463 4.037 0.436 1.00 14.54 C ATOM 970 CD2 TYR A 60 2.453 4.726 2.492 1.00 2.40 C ATOM 971 CE1 TYR A 60 2.709 4.000 -0.157 1.00 43.23 C ATOM 972 CE2 TYR A 60 3.704 4.693 1.906 1.00 12.20 C ATOM 973 CZ TYR A 60 3.827 4.329 0.581 1.00 13.04 C ATOM 974 OH TYR A 60 5.070 4.294 -0.007 1.00 2.51 O ATOM 0 H TYR A 60 -2.155 4.103 3.705 1.00 12.13 H new ATOM 0 HA TYR A 60 -0.720 2.485 1.816 1.00 63.32 H new ATOM 0 HB2 TYR A 60 -0.746 4.956 1.751 1.00 13.22 H new ATOM 0 HB3 TYR A 60 0.004 5.022 3.334 1.00 13.22 H new ATOM 0 HD1 TYR A 60 0.590 3.779 -0.146 1.00 14.54 H new ATOM 0 HD2 TYR A 60 2.360 5.010 3.530 1.00 2.40 H new ATOM 0 HE1 TYR A 60 2.808 3.715 -1.194 1.00 43.23 H new ATOM 0 HE2 TYR A 60 4.580 4.951 2.482 1.00 12.20 H new ATOM 0 HH TYR A 60 5.182 3.445 -0.484 1.00 2.51 H new ATOM 984 N GLN A 61 0.016 2.297 4.954 1.00 24.34 N ATOM 985 CA GLN A 61 0.846 1.619 5.943 1.00 23.41 C ATOM 986 C GLN A 61 0.654 0.107 5.871 1.00 13.41 C ATOM 987 O GLN A 61 1.346 -0.649 6.552 1.00 73.24 O ATOM 988 CB GLN A 61 0.514 2.121 7.349 1.00 22.54 C ATOM 989 CG GLN A 61 1.573 1.776 8.384 1.00 21.02 C ATOM 990 CD GLN A 61 1.006 1.021 9.570 1.00 21.31 C ATOM 991 OE1 GLN A 61 -0.149 1.214 9.949 1.00 13.34 O ATOM 992 NE2 GLN A 61 1.818 0.153 10.163 1.00 3.41 N ATOM 0 H GLN A 61 -0.813 2.750 5.338 1.00 24.34 H new ATOM 0 HA GLN A 61 1.889 1.845 5.721 1.00 23.41 H new ATOM 0 HB2 GLN A 61 0.386 3.203 7.319 1.00 22.54 H new ATOM 0 HB3 GLN A 61 -0.440 1.696 7.662 1.00 22.54 H new ATOM 0 HG2 GLN A 61 2.352 1.175 7.915 1.00 21.02 H new ATOM 0 HG3 GLN A 61 2.046 2.694 8.735 1.00 21.02 H new ATOM 0 HE21 GLN A 61 2.768 0.024 9.816 1.00 3.41 H new ATOM 0 HE22 GLN A 61 1.491 -0.385 10.966 1.00 3.41 H new ATOM 1001 N MET A 62 -0.291 -0.325 5.042 1.00 12.15 N ATOM 1002 CA MET A 62 -0.574 -1.746 4.881 1.00 21.54 C ATOM 1003 C MET A 62 0.403 -2.387 3.901 1.00 24.52 C ATOM 1004 O MET A 62 1.241 -3.202 4.289 1.00 44.34 O ATOM 1005 CB MET A 62 -2.010 -1.951 4.395 1.00 1.21 C ATOM 1006 CG MET A 62 -3.028 -1.094 5.130 1.00 32.53 C ATOM 1007 SD MET A 62 -3.056 -1.418 6.904 1.00 53.21 S ATOM 1008 CE MET A 62 -4.819 -1.402 7.223 1.00 62.41 C ATOM 0 H MET A 62 -0.873 0.288 4.472 1.00 12.15 H new ATOM 0 HA MET A 62 -0.455 -2.226 5.852 1.00 21.54 H new ATOM 0 HB2 MET A 62 -2.060 -1.727 3.330 1.00 1.21 H new ATOM 0 HB3 MET A 62 -2.278 -3.001 4.513 1.00 1.21 H new ATOM 0 HG2 MET A 62 -2.801 -0.041 4.960 1.00 32.53 H new ATOM 0 HG3 MET A 62 -4.019 -1.278 4.715 1.00 32.53 H new ATOM 0 HE1 MET A 62 -4.999 -1.588 8.282 1.00 62.41 H new ATOM 0 HE2 MET A 62 -5.229 -0.429 6.951 1.00 62.41 H new ATOM 0 HE3 MET A 62 -5.303 -2.178 6.631 1.00 62.41 H new ATOM 1018 N SER A 63 0.290 -2.015 2.630 1.00 33.03 N ATOM 1019 CA SER A 63 1.161 -2.557 1.594 1.00 32.10 C ATOM 1020 C SER A 63 1.030 -4.075 1.513 1.00 14.03 C ATOM 1021 O SER A 63 1.943 -4.765 1.062 1.00 4.21 O ATOM 1022 CB SER A 63 2.616 -2.174 1.869 1.00 0.44 C ATOM 1023 OG SER A 63 2.743 -0.780 2.092 1.00 13.13 O ATOM 0 H SER A 63 -0.397 -1.340 2.293 1.00 33.03 H new ATOM 0 HA SER A 63 0.855 -2.132 0.638 1.00 32.10 H new ATOM 0 HB2 SER A 63 2.981 -2.719 2.739 1.00 0.44 H new ATOM 0 HB3 SER A 63 3.239 -2.469 1.024 1.00 0.44 H new ATOM 0 HG SER A 63 3.682 -0.561 2.267 1.00 13.13 H new ATOM 1029 N ALA A 64 -0.114 -4.588 1.954 1.00 13.04 N ATOM 1030 CA ALA A 64 -0.367 -6.023 1.931 1.00 73.22 C ATOM 1031 C ALA A 64 -1.760 -6.344 2.462 1.00 31.04 C ATOM 1032 O ALA A 64 -1.944 -7.303 3.211 1.00 61.14 O ATOM 1033 CB ALA A 64 0.691 -6.759 2.740 1.00 72.05 C ATOM 0 H ALA A 64 -0.880 -4.031 2.332 1.00 13.04 H new ATOM 0 HA ALA A 64 -0.315 -6.359 0.895 1.00 73.22 H new ATOM 0 HB1 ALA A 64 0.489 -7.830 2.714 1.00 72.05 H new ATOM 0 HB2 ALA A 64 1.675 -6.565 2.314 1.00 72.05 H new ATOM 0 HB3 ALA A 64 0.667 -6.410 3.772 1.00 72.05 H new ATOM 1039 N GLY A 65 -2.739 -5.534 2.071 1.00 12.10 N ATOM 1040 CA GLY A 65 -4.103 -5.748 2.519 1.00 62.11 C ATOM 1041 C GLY A 65 -5.043 -6.077 1.376 1.00 14.45 C ATOM 1042 O GLY A 65 -5.218 -5.277 0.458 1.00 51.41 O ATOM 0 H GLY A 65 -2.612 -4.733 1.452 1.00 12.10 H new ATOM 0 HA2 GLY A 65 -4.120 -6.561 3.245 1.00 62.11 H new ATOM 0 HA3 GLY A 65 -4.458 -4.854 3.032 1.00 62.11 H new ATOM 1046 N ALA A 66 -5.650 -7.258 1.432 1.00 24.02 N ATOM 1047 CA ALA A 66 -6.577 -7.690 0.394 1.00 33.34 C ATOM 1048 C ALA A 66 -7.784 -6.761 0.315 1.00 43.03 C ATOM 1049 O ALA A 66 -8.356 -6.380 1.336 1.00 0.54 O ATOM 1050 CB ALA A 66 -7.027 -9.121 0.651 1.00 21.11 C ATOM 0 H ALA A 66 -5.516 -7.932 2.185 1.00 24.02 H new ATOM 0 HA ALA A 66 -6.057 -7.650 -0.563 1.00 33.34 H new ATOM 0 HB1 ALA A 66 -7.719 -9.431 -0.132 1.00 21.11 H new ATOM 0 HB2 ALA A 66 -6.159 -9.781 0.650 1.00 21.11 H new ATOM 0 HB3 ALA A 66 -7.525 -9.177 1.619 1.00 21.11 H new ATOM 1056 N THR A 67 -8.166 -6.398 -0.906 1.00 31.41 N ATOM 1057 CA THR A 67 -9.303 -5.512 -1.119 1.00 33.12 C ATOM 1058 C THR A 67 -10.345 -6.161 -2.023 1.00 64.32 C ATOM 1059 O THR A 67 -10.004 -6.828 -3.000 1.00 65.14 O ATOM 1060 CB THR A 67 -8.863 -4.173 -1.740 1.00 73.13 C ATOM 1061 OG1 THR A 67 -7.455 -4.191 -1.997 1.00 24.42 O ATOM 1062 CG2 THR A 67 -9.201 -3.012 -0.818 1.00 2.52 C ATOM 0 H THR A 67 -7.704 -6.704 -1.762 1.00 31.41 H new ATOM 0 HA THR A 67 -9.744 -5.323 -0.140 1.00 33.12 H new ATOM 0 HB THR A 67 -9.401 -4.039 -2.679 1.00 73.13 H new ATOM 0 HG1 THR A 67 -7.222 -5.007 -2.487 1.00 24.42 H new ATOM 0 HG21 THR A 67 -8.881 -2.077 -1.278 1.00 2.52 H new ATOM 0 HG22 THR A 67 -10.277 -2.983 -0.649 1.00 2.52 H new ATOM 0 HG23 THR A 67 -8.687 -3.142 0.135 1.00 2.52 H new ATOM 1070 N PHE A 68 -11.616 -5.962 -1.692 1.00 40.31 N ATOM 1071 CA PHE A 68 -12.708 -6.528 -2.475 1.00 61.51 C ATOM 1072 C PHE A 68 -13.747 -5.463 -2.810 1.00 14.33 C ATOM 1073 O PHE A 68 -14.423 -4.939 -1.924 1.00 14.23 O ATOM 1074 CB PHE A 68 -13.368 -7.679 -1.712 1.00 3.43 C ATOM 1075 CG PHE A 68 -14.678 -8.116 -2.301 1.00 51.24 C ATOM 1076 CD1 PHE A 68 -15.865 -7.520 -1.905 1.00 25.12 C ATOM 1077 CD2 PHE A 68 -14.723 -9.123 -3.252 1.00 15.10 C ATOM 1078 CE1 PHE A 68 -17.072 -7.920 -2.446 1.00 11.32 C ATOM 1079 CE2 PHE A 68 -15.928 -9.526 -3.797 1.00 21.33 C ATOM 1080 CZ PHE A 68 -17.104 -8.925 -3.392 1.00 43.03 C ATOM 0 H PHE A 68 -11.916 -5.413 -0.886 1.00 40.31 H new ATOM 0 HA PHE A 68 -12.293 -6.910 -3.407 1.00 61.51 H new ATOM 0 HB2 PHE A 68 -12.686 -8.529 -1.692 1.00 3.43 H new ATOM 0 HB3 PHE A 68 -13.528 -7.374 -0.678 1.00 3.43 H new ATOM 0 HD1 PHE A 68 -15.846 -6.734 -1.165 1.00 25.12 H new ATOM 0 HD2 PHE A 68 -13.807 -9.598 -3.571 1.00 15.10 H new ATOM 0 HE1 PHE A 68 -17.990 -7.447 -2.129 1.00 11.32 H new ATOM 0 HE2 PHE A 68 -15.950 -10.310 -4.539 1.00 21.33 H new ATOM 0 HZ PHE A 68 -18.046 -9.241 -3.815 1.00 43.03 H new ATOM 1090 N HIS A 69 -13.869 -5.146 -4.095 1.00 71.21 N ATOM 1091 CA HIS A 69 -14.826 -4.143 -4.548 1.00 50.10 C ATOM 1092 C HIS A 69 -16.176 -4.781 -4.860 1.00 71.50 C ATOM 1093 O HIS A 69 -16.242 -5.914 -5.337 1.00 31.14 O ATOM 1094 CB HIS A 69 -14.292 -3.420 -5.785 1.00 73.54 C ATOM 1095 CG HIS A 69 -13.140 -2.508 -5.496 1.00 72.30 C ATOM 1096 ND1 HIS A 69 -12.136 -2.823 -4.605 1.00 71.50 N ATOM 1097 CD2 HIS A 69 -12.835 -1.284 -5.987 1.00 30.41 C ATOM 1098 CE1 HIS A 69 -11.264 -1.832 -4.559 1.00 71.21 C ATOM 1099 NE2 HIS A 69 -11.665 -0.886 -5.389 1.00 1.11 N ATOM 0 H HIS A 69 -13.317 -5.569 -4.841 1.00 71.21 H new ATOM 0 HA HIS A 69 -14.964 -3.419 -3.745 1.00 50.10 H new ATOM 0 HB2 HIS A 69 -13.982 -4.160 -6.523 1.00 73.54 H new ATOM 0 HB3 HIS A 69 -15.099 -2.841 -6.234 1.00 73.54 H new ATOM 0 HD2 HIS A 69 -13.406 -0.725 -6.714 1.00 30.41 H new ATOM 0 HE1 HIS A 69 -10.375 -1.801 -3.947 1.00 71.21 H new ATOM 0 HE2 HIS A 69 -11.183 -0.003 -5.558 1.00 1.11 H new ATOM 1107 N MET A 70 -17.250 -4.047 -4.587 1.00 63.31 N ATOM 1108 CA MET A 70 -18.598 -4.543 -4.839 1.00 40.43 C ATOM 1109 C MET A 70 -19.402 -3.537 -5.658 1.00 31.44 C ATOM 1110 O MET A 70 -19.413 -2.344 -5.357 1.00 4.33 O ATOM 1111 CB MET A 70 -19.314 -4.831 -3.518 1.00 63.44 C ATOM 1112 CG MET A 70 -20.756 -5.279 -3.694 1.00 24.42 C ATOM 1113 SD MET A 70 -21.116 -6.818 -2.825 1.00 4.20 S ATOM 1114 CE MET A 70 -21.972 -6.198 -1.379 1.00 54.35 C ATOM 0 H MET A 70 -17.213 -3.107 -4.192 1.00 63.31 H new ATOM 0 HA MET A 70 -18.518 -5.469 -5.409 1.00 40.43 H new ATOM 0 HB2 MET A 70 -18.766 -5.603 -2.978 1.00 63.44 H new ATOM 0 HB3 MET A 70 -19.294 -3.933 -2.900 1.00 63.44 H new ATOM 0 HG2 MET A 70 -21.422 -4.497 -3.331 1.00 24.42 H new ATOM 0 HG3 MET A 70 -20.965 -5.408 -4.756 1.00 24.42 H new ATOM 0 HE1 MET A 70 -22.260 -7.033 -0.741 1.00 54.35 H new ATOM 0 HE2 MET A 70 -21.313 -5.529 -0.825 1.00 54.35 H new ATOM 0 HE3 MET A 70 -22.864 -5.654 -1.690 1.00 54.35 H new ATOM 1124 N VAL A 71 -20.075 -4.028 -6.694 1.00 42.20 N ATOM 1125 CA VAL A 71 -20.882 -3.172 -7.555 1.00 75.22 C ATOM 1126 C VAL A 71 -22.277 -3.755 -7.757 1.00 2.12 C ATOM 1127 O VAL A 71 -22.444 -4.779 -8.419 1.00 63.12 O ATOM 1128 CB VAL A 71 -20.218 -2.972 -8.930 1.00 62.32 C ATOM 1129 CG1 VAL A 71 -20.977 -1.937 -9.745 1.00 53.40 C ATOM 1130 CG2 VAL A 71 -18.761 -2.568 -8.763 1.00 41.24 C ATOM 0 H VAL A 71 -20.077 -5.013 -6.957 1.00 42.20 H new ATOM 0 HA VAL A 71 -20.963 -2.207 -7.055 1.00 75.22 H new ATOM 0 HB VAL A 71 -20.250 -3.918 -9.471 1.00 62.32 H new ATOM 0 HG11 VAL A 71 -20.493 -1.810 -10.713 1.00 53.40 H new ATOM 0 HG12 VAL A 71 -22.003 -2.273 -9.894 1.00 53.40 H new ATOM 0 HG13 VAL A 71 -20.980 -0.986 -9.213 1.00 53.40 H new ATOM 0 HG21 VAL A 71 -18.307 -2.431 -9.744 1.00 41.24 H new ATOM 0 HG22 VAL A 71 -18.704 -1.635 -8.203 1.00 41.24 H new ATOM 0 HG23 VAL A 71 -18.227 -3.349 -8.222 1.00 41.24 H new ATOM 1140 N VAL A 72 -23.277 -3.095 -7.181 1.00 61.02 N ATOM 1141 CA VAL A 72 -24.658 -3.546 -7.299 1.00 34.23 C ATOM 1142 C VAL A 72 -25.402 -2.764 -8.375 1.00 53.22 C ATOM 1143 O VAL A 72 -25.694 -1.580 -8.207 1.00 20.22 O ATOM 1144 CB VAL A 72 -25.411 -3.403 -5.963 1.00 12.23 C ATOM 1145 CG1 VAL A 72 -25.258 -1.993 -5.412 1.00 20.32 C ATOM 1146 CG2 VAL A 72 -26.880 -3.759 -6.138 1.00 43.32 C ATOM 0 H VAL A 72 -23.156 -2.246 -6.628 1.00 61.02 H new ATOM 0 HA VAL A 72 -24.624 -4.599 -7.578 1.00 34.23 H new ATOM 0 HB VAL A 72 -24.976 -4.098 -5.245 1.00 12.23 H new ATOM 0 HG11 VAL A 72 -25.797 -1.911 -4.468 1.00 20.32 H new ATOM 0 HG12 VAL A 72 -24.202 -1.779 -5.247 1.00 20.32 H new ATOM 0 HG13 VAL A 72 -25.666 -1.277 -6.126 1.00 20.32 H new ATOM 0 HG21 VAL A 72 -27.396 -3.652 -5.184 1.00 43.32 H new ATOM 0 HG22 VAL A 72 -27.331 -3.091 -6.872 1.00 43.32 H new ATOM 0 HG23 VAL A 72 -26.966 -4.789 -6.484 1.00 43.32 H new