USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 966 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 114 CYS SG : rot 15:sc= 0.463 USER MOD Set 1.2: A 121 HIS : no HE2:sc= 0.7 K(o=1.2,f=-1.8!) USER MOD Set 2.1: A 94 HIS : no HE2:sc= -0.0158 K(o=1.3,f=-2.7) USER MOD Set 2.2: A 113 THR OG1 : rot -40:sc= 1.28 USER MOD Set 3.1: A 44 THR OG1 : rot -53:sc= 0.668 USER MOD Set 3.2: A 91 GLN :FLIP amide:sc= 0.538 F(o=-0.54,f=1.2) USER MOD Single : A 1 SER N :NH3+ -106:sc= 0.189 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0244 USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -162:sc= -0.0659 (180deg=-0.427) USER MOD Single : A 5 ASN : amide:sc= 1.22 K(o=1.2,f=-2!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl -153:sc= 0 (180deg=-0.148) USER MOD Single : A 9 LYS NZ :NH3+ -165:sc= -0.0274 (180deg=-0.252) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -3:sc= 0.202 USER MOD Single : A 18 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0418) USER MOD Single : A 21 LYS NZ :NH3+ -161:sc= 1.27 (180deg=0.997) USER MOD Single : A 22 THR OG1 : rot 64:sc= 0.758 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0274 USER MOD Single : A 27 THR OG1 : rot 19:sc= 0.92 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0571 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0118 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -160:sc= -0.0482 (180deg=-0.385) USER MOD Single : A 40 ASN : amide:sc= -0.0577 K(o=-0.058,f=-8.7!) USER MOD Single : A 41 GLN : amide:sc= -0.707 K(o=-0.71,f=-1.6) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -140:sc= 0.196 (180deg=-0.00671) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-3!) USER MOD Single : A 57 ASN : amide:sc= 0.0642 K(o=0.064,f=-2.8!) USER MOD Single : A 58 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.18) USER MOD Single : A 62 THR OG1 : rot -170:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.32 K(o=-0.32,f=-3.5!) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 30:sc= -0.0471 USER MOD Single : A 89 CYS SG : rot 180:sc= -0.721 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.362 USER MOD Single : A 100 ASN : amide:sc= 0.594 K(o=0.59,f=-3.4!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 105 ASN : amide:sc= -0.65 K(o=-0.65,f=-1.7!) USER MOD Single : A 108 TYR OH : rot -174:sc= 0.724 USER MOD Single : A 109 CYS SG : rot 180:sc= -0.495 USER MOD Single : A 115 GLN : amide:sc= -0.277 K(o=-0.28,f=-5.9!) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -23.217 33.118 -22.323 1.00 0.00 N ATOM 2 CA SER A 1 -23.801 32.456 -23.473 1.00 0.00 C ATOM 3 C SER A 1 -23.839 30.957 -23.224 1.00 0.00 C ATOM 4 O SER A 1 -23.234 30.461 -22.265 1.00 0.00 O ATOM 5 CB SER A 1 -22.942 32.749 -24.705 1.00 0.00 C ATOM 6 OG SER A 1 -22.743 34.150 -24.879 1.00 0.00 O ATOM 0 H1 SER A 1 -23.964 33.601 -21.784 1.00 0.00 H new ATOM 0 H2 SER A 1 -22.753 32.413 -21.715 1.00 0.00 H new ATOM 0 H3 SER A 1 -22.515 33.815 -22.643 1.00 0.00 H new ATOM 0 HA SER A 1 -24.815 32.821 -23.637 1.00 0.00 H new ATOM 0 HB2 SER A 1 -21.977 32.253 -24.604 1.00 0.00 H new ATOM 0 HB3 SER A 1 -23.422 32.335 -25.592 1.00 0.00 H new ATOM 0 HG SER A 1 -22.189 34.306 -25.673 1.00 0.00 H new ATOM 14 N ASN A 2 -24.572 30.241 -24.030 1.00 0.00 N ATOM 15 CA ASN A 2 -24.544 28.802 -23.985 1.00 0.00 C ATOM 16 C ASN A 2 -23.553 28.383 -25.023 1.00 0.00 C ATOM 17 O ASN A 2 -23.895 28.179 -26.191 1.00 0.00 O ATOM 18 CB ASN A 2 -25.923 28.163 -24.263 1.00 0.00 C ATOM 19 CG ASN A 2 -26.974 28.498 -23.218 1.00 0.00 C ATOM 20 OD1 ASN A 2 -27.653 29.517 -23.321 1.00 0.00 O ATOM 21 ND2 ASN A 2 -27.156 27.635 -22.239 1.00 0.00 N ATOM 0 H ASN A 2 -25.201 30.632 -24.731 1.00 0.00 H new ATOM 0 HA ASN A 2 -24.269 28.465 -22.986 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -26.276 28.494 -25.240 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -25.808 27.080 -24.315 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -27.878 27.804 -21.538 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -26.575 26.798 -22.182 1.00 0.00 H new ATOM 28 N ALA A 3 -22.308 28.395 -24.624 1.00 0.00 N ATOM 29 CA ALA A 3 -21.215 28.109 -25.510 1.00 0.00 C ATOM 30 C ALA A 3 -21.203 26.650 -25.875 1.00 0.00 C ATOM 31 O ALA A 3 -21.341 25.789 -25.012 1.00 0.00 O ATOM 32 CB ALA A 3 -19.896 28.512 -24.865 1.00 0.00 C ATOM 0 H ALA A 3 -22.024 28.605 -23.667 1.00 0.00 H new ATOM 0 HA ALA A 3 -21.344 28.689 -26.424 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -19.075 28.290 -25.547 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -19.909 29.580 -24.648 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -19.759 27.955 -23.938 1.00 0.00 H new ATOM 38 N LYS A 4 -21.076 26.380 -27.145 1.00 0.00 N ATOM 39 CA LYS A 4 -21.000 25.023 -27.613 1.00 0.00 C ATOM 40 C LYS A 4 -19.618 24.481 -27.324 1.00 0.00 C ATOM 41 O LYS A 4 -18.616 25.069 -27.745 1.00 0.00 O ATOM 42 CB LYS A 4 -21.347 24.921 -29.116 1.00 0.00 C ATOM 43 CG LYS A 4 -20.552 25.863 -30.011 1.00 0.00 C ATOM 44 CD LYS A 4 -20.871 25.670 -31.482 1.00 0.00 C ATOM 45 CE LYS A 4 -20.143 26.700 -32.338 1.00 0.00 C ATOM 46 NZ LYS A 4 -20.532 28.092 -31.987 1.00 0.00 N ATOM 0 H LYS A 4 -21.023 27.087 -27.879 1.00 0.00 H new ATOM 0 HA LYS A 4 -21.738 24.420 -27.084 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -21.178 23.896 -29.447 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -22.410 25.127 -29.246 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -20.764 26.894 -29.728 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -19.486 25.701 -29.849 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -20.583 24.665 -31.792 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -21.946 25.756 -31.639 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.067 26.581 -32.211 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -20.362 26.517 -33.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.268 28.732 -32.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -21.560 28.137 -31.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.041 28.381 -31.117 1.00 0.00 H new ATOM 60 N ASN A 5 -19.575 23.413 -26.562 1.00 0.00 N ATOM 61 CA ASN A 5 -18.344 22.743 -26.171 1.00 0.00 C ATOM 62 C ASN A 5 -17.516 23.572 -25.194 1.00 0.00 C ATOM 63 O ASN A 5 -16.695 24.414 -25.582 1.00 0.00 O ATOM 64 CB ASN A 5 -17.486 22.315 -27.382 1.00 0.00 C ATOM 65 CG ASN A 5 -16.153 21.699 -26.983 1.00 0.00 C ATOM 66 OD1 ASN A 5 -16.031 20.989 -25.969 1.00 0.00 O ATOM 67 ND2 ASN A 5 -15.141 21.986 -27.751 1.00 0.00 N ATOM 0 H ASN A 5 -20.413 22.970 -26.184 1.00 0.00 H new ATOM 0 HA ASN A 5 -18.659 21.835 -25.656 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -18.046 21.597 -27.981 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -17.303 23.183 -28.015 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -14.213 21.625 -27.528 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -15.276 22.571 -28.575 1.00 0.00 H new ATOM 74 N TYR A 6 -17.770 23.376 -23.941 1.00 0.00 N ATOM 75 CA TYR A 6 -16.966 23.957 -22.903 1.00 0.00 C ATOM 76 C TYR A 6 -16.439 22.835 -22.063 1.00 0.00 C ATOM 77 O TYR A 6 -17.136 21.815 -21.901 1.00 0.00 O ATOM 78 CB TYR A 6 -17.704 25.046 -22.087 1.00 0.00 C ATOM 79 CG TYR A 6 -19.031 24.651 -21.478 1.00 0.00 C ATOM 80 CD1 TYR A 6 -19.105 24.074 -20.216 1.00 0.00 C ATOM 81 CD2 TYR A 6 -20.215 24.893 -22.157 1.00 0.00 C ATOM 82 CE1 TYR A 6 -20.322 23.749 -19.656 1.00 0.00 C ATOM 83 CE2 TYR A 6 -21.432 24.566 -21.609 1.00 0.00 C ATOM 84 CZ TYR A 6 -21.482 23.997 -20.359 1.00 0.00 C ATOM 85 OH TYR A 6 -22.700 23.688 -19.798 1.00 0.00 O ATOM 0 H TYR A 6 -18.545 22.806 -23.602 1.00 0.00 H new ATOM 0 HA TYR A 6 -16.134 24.504 -23.347 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -17.045 25.376 -21.284 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -17.869 25.905 -22.737 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -18.196 23.877 -19.666 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -20.180 25.348 -23.136 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -20.367 23.303 -18.673 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -22.343 24.755 -22.157 1.00 0.00 H new ATOM 0 HH TYR A 6 -23.417 23.926 -20.422 1.00 0.00 H new ATOM 95 N MET A 7 -15.223 22.993 -21.562 1.00 0.00 N ATOM 96 CA MET A 7 -14.487 21.922 -20.902 1.00 0.00 C ATOM 97 C MET A 7 -14.317 20.768 -21.883 1.00 0.00 C ATOM 98 O MET A 7 -15.037 19.774 -21.837 1.00 0.00 O ATOM 99 CB MET A 7 -15.127 21.474 -19.563 1.00 0.00 C ATOM 100 CG MET A 7 -14.372 20.350 -18.864 1.00 0.00 C ATOM 101 SD MET A 7 -12.643 20.766 -18.565 1.00 0.00 S ATOM 102 CE MET A 7 -12.063 19.265 -17.778 1.00 0.00 C ATOM 0 H MET A 7 -14.714 23.876 -21.602 1.00 0.00 H new ATOM 0 HA MET A 7 -13.505 22.301 -20.619 1.00 0.00 H new ATOM 0 HB2 MET A 7 -15.183 22.332 -18.893 1.00 0.00 H new ATOM 0 HB3 MET A 7 -16.150 21.149 -19.751 1.00 0.00 H new ATOM 0 HG2 MET A 7 -14.858 20.125 -17.915 1.00 0.00 H new ATOM 0 HG3 MET A 7 -14.426 19.447 -19.472 1.00 0.00 H new ATOM 0 HE1 MET A 7 -11.223 19.498 -17.124 1.00 0.00 H new ATOM 0 HE2 MET A 7 -12.870 18.827 -17.190 1.00 0.00 H new ATOM 0 HE3 MET A 7 -11.743 18.555 -18.540 1.00 0.00 H new ATOM 112 N ASP A 8 -13.424 20.983 -22.833 1.00 0.00 N ATOM 113 CA ASP A 8 -13.166 20.055 -23.940 1.00 0.00 C ATOM 114 C ASP A 8 -12.885 18.658 -23.474 1.00 0.00 C ATOM 115 O ASP A 8 -13.588 17.725 -23.865 1.00 0.00 O ATOM 116 CB ASP A 8 -12.010 20.533 -24.836 1.00 0.00 C ATOM 117 CG ASP A 8 -12.346 21.737 -25.669 1.00 0.00 C ATOM 118 OD1 ASP A 8 -12.322 22.872 -25.141 1.00 0.00 O ATOM 119 OD2 ASP A 8 -12.626 21.574 -26.879 1.00 0.00 O ATOM 0 H ASP A 8 -12.843 21.821 -22.865 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.087 20.041 -24.523 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.149 20.765 -24.209 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.713 19.718 -25.496 1.00 0.00 H new ATOM 124 N LYS A 9 -11.857 18.519 -22.643 1.00 0.00 N ATOM 125 CA LYS A 9 -11.418 17.230 -22.124 1.00 0.00 C ATOM 126 C LYS A 9 -11.047 16.279 -23.276 1.00 0.00 C ATOM 127 O LYS A 9 -11.879 15.504 -23.782 1.00 0.00 O ATOM 128 CB LYS A 9 -12.463 16.618 -21.151 1.00 0.00 C ATOM 129 CG LYS A 9 -12.108 15.243 -20.601 1.00 0.00 C ATOM 130 CD LYS A 9 -13.129 14.768 -19.578 1.00 0.00 C ATOM 131 CE LYS A 9 -12.850 13.333 -19.138 1.00 0.00 C ATOM 132 NZ LYS A 9 -13.050 12.369 -20.248 1.00 0.00 N ATOM 0 H LYS A 9 -11.301 19.306 -22.308 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.515 17.387 -21.535 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.601 17.302 -20.314 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.420 16.549 -21.668 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.052 14.526 -21.420 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.121 15.278 -20.141 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.110 15.427 -18.710 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -14.130 14.831 -20.004 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.826 13.258 -18.771 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.507 13.073 -18.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.103 11.404 -19.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.935 12.592 -20.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.252 12.434 -20.912 1.00 0.00 H new ATOM 146 N GLY A 10 -9.828 16.402 -23.732 1.00 0.00 N ATOM 147 CA GLY A 10 -9.363 15.597 -24.825 1.00 0.00 C ATOM 148 C GLY A 10 -7.879 15.475 -24.800 1.00 0.00 C ATOM 149 O GLY A 10 -7.230 15.461 -25.842 1.00 0.00 O ATOM 0 H GLY A 10 -9.139 17.055 -23.360 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.814 14.606 -24.770 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.680 16.040 -25.769 1.00 0.00 H new ATOM 153 N THR A 11 -7.341 15.379 -23.609 1.00 0.00 N ATOM 154 CA THR A 11 -5.925 15.278 -23.405 1.00 0.00 C ATOM 155 C THR A 11 -5.425 13.933 -23.942 1.00 0.00 C ATOM 156 O THR A 11 -4.425 13.866 -24.655 1.00 0.00 O ATOM 157 CB THR A 11 -5.611 15.419 -21.902 1.00 0.00 C ATOM 158 OG1 THR A 11 -6.231 16.633 -21.404 1.00 0.00 O ATOM 159 CG2 THR A 11 -4.116 15.487 -21.658 1.00 0.00 C ATOM 0 H THR A 11 -7.885 15.369 -22.746 1.00 0.00 H new ATOM 0 HA THR A 11 -5.415 16.077 -23.943 1.00 0.00 H new ATOM 0 HB THR A 11 -6.004 14.546 -21.381 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.038 16.730 -20.448 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.926 15.586 -20.589 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.645 14.576 -22.027 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.701 16.348 -22.182 1.00 0.00 H new ATOM 167 N SER A 12 -6.156 12.883 -23.657 1.00 0.00 N ATOM 168 CA SER A 12 -5.798 11.584 -24.126 1.00 0.00 C ATOM 169 C SER A 12 -6.355 11.351 -25.532 1.00 0.00 C ATOM 170 O SER A 12 -7.519 10.985 -25.710 1.00 0.00 O ATOM 171 CB SER A 12 -6.298 10.528 -23.150 1.00 0.00 C ATOM 172 OG SER A 12 -5.821 10.809 -21.845 1.00 0.00 O ATOM 0 H SER A 12 -7.008 12.913 -23.097 1.00 0.00 H new ATOM 0 HA SER A 12 -4.712 11.510 -24.185 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.388 10.507 -23.151 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.960 9.541 -23.465 1.00 0.00 H new ATOM 0 HG SER A 12 -6.148 10.126 -21.223 1.00 0.00 H new ATOM 178 N SER A 13 -5.559 11.680 -26.518 1.00 0.00 N ATOM 179 CA SER A 13 -5.911 11.424 -27.890 1.00 0.00 C ATOM 180 C SER A 13 -5.030 10.293 -28.419 1.00 0.00 C ATOM 181 O SER A 13 -5.493 9.382 -29.107 1.00 0.00 O ATOM 182 CB SER A 13 -5.734 12.699 -28.714 1.00 0.00 C ATOM 183 OG SER A 13 -6.481 13.767 -28.144 1.00 0.00 O ATOM 0 H SER A 13 -4.653 12.131 -26.392 1.00 0.00 H new ATOM 0 HA SER A 13 -6.955 11.121 -27.966 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.679 12.968 -28.757 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.061 12.525 -29.739 1.00 0.00 H new ATOM 0 HG SER A 13 -6.356 14.577 -28.682 1.00 0.00 H new ATOM 189 N SER A 14 -3.766 10.343 -28.070 1.00 0.00 N ATOM 190 CA SER A 14 -2.835 9.329 -28.454 1.00 0.00 C ATOM 191 C SER A 14 -2.797 8.261 -27.366 1.00 0.00 C ATOM 192 O SER A 14 -2.035 8.357 -26.398 1.00 0.00 O ATOM 193 CB SER A 14 -1.465 9.958 -28.659 1.00 0.00 C ATOM 194 OG SER A 14 -1.574 11.102 -29.514 1.00 0.00 O ATOM 0 H SER A 14 -3.361 11.093 -27.510 1.00 0.00 H new ATOM 0 HA SER A 14 -3.138 8.862 -29.391 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.043 10.251 -27.698 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.783 9.229 -29.098 1.00 0.00 H new ATOM 0 HG SER A 14 -0.688 11.502 -29.640 1.00 0.00 H new ATOM 200 N THR A 15 -3.700 7.330 -27.465 1.00 0.00 N ATOM 201 CA THR A 15 -3.847 6.257 -26.525 1.00 0.00 C ATOM 202 C THR A 15 -4.528 5.111 -27.255 1.00 0.00 C ATOM 203 O THR A 15 -5.544 5.322 -27.919 1.00 0.00 O ATOM 204 CB THR A 15 -4.723 6.710 -25.306 1.00 0.00 C ATOM 205 OG1 THR A 15 -4.109 7.844 -24.652 1.00 0.00 O ATOM 206 CG2 THR A 15 -4.898 5.585 -24.292 1.00 0.00 C ATOM 0 H THR A 15 -4.377 7.295 -28.227 1.00 0.00 H new ATOM 0 HA THR A 15 -2.874 5.952 -26.139 1.00 0.00 H new ATOM 0 HB THR A 15 -5.705 6.984 -25.691 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.257 8.052 -25.090 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.510 5.936 -23.461 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.387 4.737 -24.771 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.922 5.277 -23.918 1.00 0.00 H new ATOM 214 N VAL A 16 -3.964 3.937 -27.177 1.00 0.00 N ATOM 215 CA VAL A 16 -4.542 2.796 -27.834 1.00 0.00 C ATOM 216 C VAL A 16 -5.423 2.048 -26.859 1.00 0.00 C ATOM 217 O VAL A 16 -5.300 2.229 -25.637 1.00 0.00 O ATOM 218 CB VAL A 16 -3.468 1.836 -28.437 1.00 0.00 C ATOM 219 CG1 VAL A 16 -2.668 2.534 -29.526 1.00 0.00 C ATOM 220 CG2 VAL A 16 -2.532 1.297 -27.362 1.00 0.00 C ATOM 0 H VAL A 16 -3.103 3.745 -26.664 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.135 3.165 -28.671 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.999 0.992 -28.877 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.926 1.845 -29.931 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.340 2.853 -30.323 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.164 3.404 -29.106 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.798 0.633 -27.818 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.018 2.127 -26.877 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.109 0.745 -26.620 1.00 0.00 H new ATOM 230 N VAL A 17 -6.324 1.243 -27.376 1.00 0.00 N ATOM 231 CA VAL A 17 -7.197 0.444 -26.535 1.00 0.00 C ATOM 232 C VAL A 17 -6.369 -0.589 -25.751 1.00 0.00 C ATOM 233 O VAL A 17 -6.463 -0.684 -24.523 1.00 0.00 O ATOM 234 CB VAL A 17 -8.364 -0.222 -27.358 1.00 0.00 C ATOM 235 CG1 VAL A 17 -7.855 -1.048 -28.540 1.00 0.00 C ATOM 236 CG2 VAL A 17 -9.252 -1.064 -26.458 1.00 0.00 C ATOM 0 H VAL A 17 -6.474 1.122 -28.378 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.681 1.104 -25.816 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.957 0.593 -27.773 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.702 -1.483 -29.071 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.293 -0.405 -29.218 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.207 -1.845 -28.175 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -10.050 -1.513 -27.050 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.658 -1.851 -25.994 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.687 -0.433 -25.683 1.00 0.00 H new ATOM 246 N LYS A 18 -5.510 -1.264 -26.470 1.00 0.00 N ATOM 247 CA LYS A 18 -4.615 -2.252 -25.953 1.00 0.00 C ATOM 248 C LYS A 18 -3.586 -2.512 -27.026 1.00 0.00 C ATOM 249 O LYS A 18 -3.889 -2.356 -28.220 1.00 0.00 O ATOM 250 CB LYS A 18 -5.375 -3.556 -25.604 1.00 0.00 C ATOM 251 CG LYS A 18 -4.470 -4.719 -25.211 1.00 0.00 C ATOM 252 CD LYS A 18 -5.254 -5.945 -24.802 1.00 0.00 C ATOM 253 CE LYS A 18 -4.332 -7.141 -24.637 1.00 0.00 C ATOM 254 NZ LYS A 18 -3.896 -7.703 -25.948 1.00 0.00 N ATOM 0 H LYS A 18 -5.416 -1.130 -27.477 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.144 -1.902 -25.035 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.065 -3.353 -24.785 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.978 -3.853 -26.462 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.820 -4.970 -26.049 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.825 -4.412 -24.388 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.779 -5.752 -23.866 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.013 -6.165 -25.553 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.455 -6.845 -24.061 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.843 -7.915 -24.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.382 -8.593 -25.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.730 -7.885 -26.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.272 -7.023 -26.427 1.00 0.00 H new ATOM 268 N ASP A 19 -2.387 -2.828 -26.636 1.00 0.00 N ATOM 269 CA ASP A 19 -1.373 -3.174 -27.583 1.00 0.00 C ATOM 270 C ASP A 19 -0.546 -4.316 -27.057 1.00 0.00 C ATOM 271 O ASP A 19 -0.591 -5.406 -27.590 1.00 0.00 O ATOM 272 CB ASP A 19 -0.485 -1.996 -27.929 1.00 0.00 C ATOM 273 CG ASP A 19 0.461 -2.354 -29.023 1.00 0.00 C ATOM 274 OD1 ASP A 19 0.032 -2.401 -30.196 1.00 0.00 O ATOM 275 OD2 ASP A 19 1.630 -2.628 -28.745 1.00 0.00 O ATOM 0 H ASP A 19 -2.087 -2.853 -25.661 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.873 -3.480 -28.502 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.099 -1.149 -28.235 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.073 -1.683 -27.047 1.00 0.00 H new ATOM 280 N GLY A 20 0.208 -4.067 -26.017 1.00 0.00 N ATOM 281 CA GLY A 20 0.986 -5.113 -25.397 1.00 0.00 C ATOM 282 C GLY A 20 2.395 -5.232 -25.947 1.00 0.00 C ATOM 283 O GLY A 20 3.316 -5.625 -25.221 1.00 0.00 O ATOM 0 H GLY A 20 0.301 -3.150 -25.581 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.039 -4.927 -24.324 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.471 -6.065 -25.531 1.00 0.00 H new ATOM 287 N LYS A 21 2.596 -4.859 -27.195 1.00 0.00 N ATOM 288 CA LYS A 21 3.901 -5.011 -27.816 1.00 0.00 C ATOM 289 C LYS A 21 4.735 -3.779 -27.565 1.00 0.00 C ATOM 290 O LYS A 21 5.932 -3.872 -27.296 1.00 0.00 O ATOM 291 CB LYS A 21 3.823 -5.282 -29.340 1.00 0.00 C ATOM 292 CG LYS A 21 2.933 -6.457 -29.752 1.00 0.00 C ATOM 293 CD LYS A 21 1.486 -6.034 -29.982 1.00 0.00 C ATOM 294 CE LYS A 21 1.343 -5.242 -31.278 1.00 0.00 C ATOM 295 NZ LYS A 21 -0.030 -4.736 -31.497 1.00 0.00 N ATOM 0 H LYS A 21 1.880 -4.451 -27.797 1.00 0.00 H new ATOM 0 HA LYS A 21 4.365 -5.886 -27.359 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.459 -4.381 -29.834 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.831 -5.464 -29.712 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.327 -6.906 -30.664 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.966 -7.224 -28.978 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.848 -6.917 -30.020 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.143 -5.429 -29.143 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.036 -4.401 -31.262 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.629 -5.875 -32.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.156 -4.498 -32.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.717 -5.468 -31.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.183 -3.886 -30.918 1.00 0.00 H new ATOM 309 N THR A 22 4.088 -2.644 -27.638 1.00 0.00 N ATOM 310 CA THR A 22 4.712 -1.357 -27.465 1.00 0.00 C ATOM 311 C THR A 22 5.231 -1.179 -26.027 1.00 0.00 C ATOM 312 O THR A 22 4.457 -1.021 -25.074 1.00 0.00 O ATOM 313 CB THR A 22 3.708 -0.251 -27.836 1.00 0.00 C ATOM 314 OG1 THR A 22 3.179 -0.543 -29.151 1.00 0.00 O ATOM 315 CG2 THR A 22 4.373 1.120 -27.858 1.00 0.00 C ATOM 0 H THR A 22 3.087 -2.588 -27.824 1.00 0.00 H new ATOM 0 HA THR A 22 5.576 -1.289 -28.127 1.00 0.00 H new ATOM 0 HB THR A 22 2.915 -0.228 -27.088 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.673 -1.382 -29.121 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.636 1.878 -28.124 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.782 1.342 -26.872 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.177 1.123 -28.594 1.00 0.00 H new ATOM 323 N SER A 23 6.541 -1.230 -25.888 1.00 0.00 N ATOM 324 CA SER A 23 7.205 -1.120 -24.602 1.00 0.00 C ATOM 325 C SER A 23 7.276 0.340 -24.126 1.00 0.00 C ATOM 326 O SER A 23 7.585 0.616 -22.963 1.00 0.00 O ATOM 327 CB SER A 23 8.607 -1.708 -24.727 1.00 0.00 C ATOM 328 OG SER A 23 8.564 -3.004 -25.332 1.00 0.00 O ATOM 0 H SER A 23 7.182 -1.350 -26.672 1.00 0.00 H new ATOM 0 HA SER A 23 6.631 -1.672 -23.858 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.232 -1.044 -25.324 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.066 -1.777 -23.741 1.00 0.00 H new ATOM 0 HG SER A 23 9.474 -3.362 -25.404 1.00 0.00 H new ATOM 334 N SER A 24 6.990 1.255 -25.028 1.00 0.00 N ATOM 335 CA SER A 24 7.026 2.661 -24.735 1.00 0.00 C ATOM 336 C SER A 24 5.841 3.045 -23.840 1.00 0.00 C ATOM 337 O SER A 24 4.673 2.910 -24.245 1.00 0.00 O ATOM 338 CB SER A 24 6.950 3.428 -26.050 1.00 0.00 C ATOM 339 OG SER A 24 7.874 2.889 -27.000 1.00 0.00 O ATOM 0 H SER A 24 6.725 1.037 -25.989 1.00 0.00 H new ATOM 0 HA SER A 24 7.949 2.906 -24.209 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.937 3.376 -26.450 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.171 4.481 -25.877 1.00 0.00 H new ATOM 0 HG SER A 24 7.811 3.392 -27.839 1.00 0.00 H new ATOM 345 N ALA A 25 6.131 3.461 -22.631 1.00 0.00 N ATOM 346 CA ALA A 25 5.111 3.910 -21.723 1.00 0.00 C ATOM 347 C ALA A 25 4.775 5.350 -22.043 1.00 0.00 C ATOM 348 O ALA A 25 5.522 6.260 -21.688 1.00 0.00 O ATOM 349 CB ALA A 25 5.559 3.762 -20.275 1.00 0.00 C ATOM 0 H ALA A 25 7.078 3.497 -22.253 1.00 0.00 H new ATOM 0 HA ALA A 25 4.221 3.293 -21.846 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.767 4.110 -19.612 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.774 2.714 -20.066 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.458 4.356 -20.110 1.00 0.00 H new ATOM 355 N SER A 26 3.689 5.528 -22.768 1.00 0.00 N ATOM 356 CA SER A 26 3.216 6.820 -23.213 1.00 0.00 C ATOM 357 C SER A 26 3.113 7.822 -22.046 1.00 0.00 C ATOM 358 O SER A 26 2.662 7.468 -20.935 1.00 0.00 O ATOM 359 CB SER A 26 1.873 6.616 -23.876 1.00 0.00 C ATOM 360 OG SER A 26 1.961 5.568 -24.844 1.00 0.00 O ATOM 0 H SER A 26 3.096 4.755 -23.071 1.00 0.00 H new ATOM 0 HA SER A 26 3.926 7.248 -23.921 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.122 6.368 -23.126 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.551 7.540 -24.356 1.00 0.00 H new ATOM 0 HG SER A 26 1.087 5.440 -25.268 1.00 0.00 H new ATOM 366 N THR A 27 3.538 9.059 -22.311 1.00 0.00 N ATOM 367 CA THR A 27 3.626 10.140 -21.325 1.00 0.00 C ATOM 368 C THR A 27 4.425 9.714 -20.081 1.00 0.00 C ATOM 369 O THR A 27 3.856 9.509 -19.004 1.00 0.00 O ATOM 370 CB THR A 27 2.238 10.766 -20.948 1.00 0.00 C ATOM 371 OG1 THR A 27 1.278 9.739 -20.584 1.00 0.00 O ATOM 372 CG2 THR A 27 1.692 11.593 -22.103 1.00 0.00 C ATOM 0 H THR A 27 3.839 9.345 -23.243 1.00 0.00 H new ATOM 0 HA THR A 27 4.180 10.941 -21.815 1.00 0.00 H new ATOM 0 HB THR A 27 2.393 11.414 -20.086 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.753 8.913 -20.355 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.729 12.019 -21.822 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.390 12.397 -22.337 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.566 10.956 -22.979 1.00 0.00 H new ATOM 380 N PRO A 28 5.751 9.514 -20.233 1.00 0.00 N ATOM 381 CA PRO A 28 6.605 9.009 -19.171 1.00 0.00 C ATOM 382 C PRO A 28 6.806 9.988 -18.030 1.00 0.00 C ATOM 383 O PRO A 28 7.722 10.807 -18.042 1.00 0.00 O ATOM 384 CB PRO A 28 7.942 8.712 -19.865 1.00 0.00 C ATOM 385 CG PRO A 28 7.632 8.760 -21.319 1.00 0.00 C ATOM 386 CD PRO A 28 6.531 9.761 -21.451 1.00 0.00 C ATOM 0 HA PRO A 28 6.151 8.136 -18.701 1.00 0.00 H new ATOM 0 HB2 PRO A 28 8.699 9.449 -19.597 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.330 7.736 -19.575 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.506 9.057 -21.899 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.322 7.782 -21.688 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.910 10.782 -21.493 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.941 9.602 -22.353 1.00 0.00 H new ATOM 394 N ALA A 29 5.923 9.932 -17.084 1.00 0.00 N ATOM 395 CA ALA A 29 6.045 10.722 -15.892 1.00 0.00 C ATOM 396 C ALA A 29 6.334 9.799 -14.727 1.00 0.00 C ATOM 397 O ALA A 29 7.436 9.778 -14.197 1.00 0.00 O ATOM 398 CB ALA A 29 4.770 11.529 -15.655 1.00 0.00 C ATOM 0 H ALA A 29 5.095 9.338 -17.113 1.00 0.00 H new ATOM 0 HA ALA A 29 6.865 11.432 -15.998 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.879 12.123 -14.747 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.596 12.191 -16.503 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.925 10.850 -15.545 1.00 0.00 H new ATOM 404 N THR A 30 5.374 8.951 -14.434 1.00 0.00 N ATOM 405 CA THR A 30 5.417 8.030 -13.318 1.00 0.00 C ATOM 406 C THR A 30 6.523 6.961 -13.434 1.00 0.00 C ATOM 407 O THR A 30 7.000 6.443 -12.430 1.00 0.00 O ATOM 408 CB THR A 30 4.050 7.358 -13.204 1.00 0.00 C ATOM 409 OG1 THR A 30 3.589 7.041 -14.540 1.00 0.00 O ATOM 410 CG2 THR A 30 3.046 8.281 -12.523 1.00 0.00 C ATOM 0 H THR A 30 4.516 8.880 -14.981 1.00 0.00 H new ATOM 0 HA THR A 30 5.658 8.606 -12.424 1.00 0.00 H new ATOM 0 HB THR A 30 4.140 6.454 -12.602 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.712 6.607 -14.489 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.080 7.780 -12.453 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.400 8.528 -11.522 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.939 9.196 -13.106 1.00 0.00 H new ATOM 418 N ARG A 31 6.916 6.631 -14.648 1.00 0.00 N ATOM 419 CA ARG A 31 7.951 5.622 -14.834 1.00 0.00 C ATOM 420 C ARG A 31 9.373 6.155 -14.566 1.00 0.00 C ATOM 421 O ARG A 31 10.054 5.621 -13.696 1.00 0.00 O ATOM 422 CB ARG A 31 7.841 4.840 -16.172 1.00 0.00 C ATOM 423 CG ARG A 31 6.730 3.784 -16.227 1.00 0.00 C ATOM 424 CD ARG A 31 5.336 4.381 -16.146 1.00 0.00 C ATOM 425 NE ARG A 31 4.293 3.350 -16.186 1.00 0.00 N ATOM 426 CZ ARG A 31 2.980 3.581 -16.370 1.00 0.00 C ATOM 427 NH1 ARG A 31 2.535 4.813 -16.574 1.00 0.00 N ATOM 428 NH2 ARG A 31 2.119 2.577 -16.362 1.00 0.00 N ATOM 0 H ARG A 31 6.546 7.035 -15.508 1.00 0.00 H new ATOM 0 HA ARG A 31 7.755 4.881 -14.059 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.680 5.555 -16.979 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.795 4.350 -16.366 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.822 3.216 -17.153 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.865 3.080 -15.406 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.241 4.957 -15.225 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.191 5.076 -16.973 1.00 0.00 H new ATOM 0 HE ARG A 31 4.586 2.381 -16.065 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.189 5.595 -16.592 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.538 4.979 -16.713 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.449 1.623 -16.216 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.125 2.757 -16.502 1.00 0.00 H new ATOM 442 N PRO A 32 9.865 7.206 -15.295 1.00 0.00 N ATOM 443 CA PRO A 32 11.203 7.753 -15.044 1.00 0.00 C ATOM 444 C PRO A 32 11.292 8.528 -13.733 1.00 0.00 C ATOM 445 O PRO A 32 12.335 8.522 -13.063 1.00 0.00 O ATOM 446 CB PRO A 32 11.455 8.697 -16.227 1.00 0.00 C ATOM 447 CG PRO A 32 10.409 8.359 -17.224 1.00 0.00 C ATOM 448 CD PRO A 32 9.232 7.878 -16.441 1.00 0.00 C ATOM 0 HA PRO A 32 11.938 6.953 -14.956 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.384 9.741 -15.920 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.454 8.553 -16.640 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.148 9.230 -17.825 1.00 0.00 H new ATOM 0 HG3 PRO A 32 10.760 7.590 -17.912 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.591 8.701 -16.125 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.611 7.194 -17.020 1.00 0.00 H new ATOM 456 N VAL A 33 10.222 9.185 -13.365 1.00 0.00 N ATOM 457 CA VAL A 33 10.215 9.999 -12.173 1.00 0.00 C ATOM 458 C VAL A 33 9.689 9.214 -10.984 1.00 0.00 C ATOM 459 O VAL A 33 8.489 9.002 -10.830 1.00 0.00 O ATOM 460 CB VAL A 33 9.419 11.323 -12.361 1.00 0.00 C ATOM 461 CG1 VAL A 33 9.411 12.156 -11.082 1.00 0.00 C ATOM 462 CG2 VAL A 33 10.006 12.132 -13.513 1.00 0.00 C ATOM 0 H VAL A 33 9.339 9.173 -13.876 1.00 0.00 H new ATOM 0 HA VAL A 33 11.250 10.278 -11.974 1.00 0.00 H new ATOM 0 HB VAL A 33 8.387 11.062 -12.597 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.847 13.073 -11.249 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.946 11.585 -10.279 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.435 12.406 -10.804 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.440 13.056 -13.634 1.00 0.00 H new ATOM 0 HG22 VAL A 33 11.048 12.370 -13.297 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.950 11.549 -14.432 1.00 0.00 H new ATOM 472 N THR A 34 10.604 8.718 -10.206 1.00 0.00 N ATOM 473 CA THR A 34 10.309 8.003 -8.999 1.00 0.00 C ATOM 474 C THR A 34 11.458 8.247 -8.022 1.00 0.00 C ATOM 475 O THR A 34 12.522 7.619 -8.122 1.00 0.00 O ATOM 476 CB THR A 34 10.158 6.483 -9.275 1.00 0.00 C ATOM 477 OG1 THR A 34 9.170 6.268 -10.301 1.00 0.00 O ATOM 478 CG2 THR A 34 9.736 5.735 -8.021 1.00 0.00 C ATOM 0 H THR A 34 11.602 8.801 -10.398 1.00 0.00 H new ATOM 0 HA THR A 34 9.365 8.355 -8.582 1.00 0.00 H new ATOM 0 HB THR A 34 11.127 6.105 -9.600 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.080 5.307 -10.472 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.639 4.673 -8.246 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.488 5.874 -7.244 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.778 6.121 -7.672 1.00 0.00 H new ATOM 486 N GLY A 35 11.282 9.212 -7.153 1.00 0.00 N ATOM 487 CA GLY A 35 12.315 9.550 -6.213 1.00 0.00 C ATOM 488 C GLY A 35 11.866 9.324 -4.800 1.00 0.00 C ATOM 489 O GLY A 35 11.938 8.206 -4.294 1.00 0.00 O ATOM 0 H GLY A 35 10.434 9.774 -7.079 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.203 8.950 -6.414 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.600 10.594 -6.343 1.00 0.00 H new ATOM 493 N SER A 36 11.387 10.372 -4.171 1.00 0.00 N ATOM 494 CA SER A 36 10.903 10.296 -2.812 1.00 0.00 C ATOM 495 C SER A 36 9.595 9.520 -2.785 1.00 0.00 C ATOM 496 O SER A 36 9.330 8.749 -1.855 1.00 0.00 O ATOM 497 CB SER A 36 10.717 11.704 -2.259 1.00 0.00 C ATOM 498 OG SER A 36 11.937 12.440 -2.366 1.00 0.00 O ATOM 0 H SER A 36 11.322 11.301 -4.587 1.00 0.00 H new ATOM 0 HA SER A 36 11.627 9.774 -2.185 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.925 12.216 -2.806 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.403 11.655 -1.216 1.00 0.00 H new ATOM 0 HG SER A 36 11.806 13.344 -2.010 1.00 0.00 H new ATOM 504 N TRP A 37 8.808 9.703 -3.823 1.00 0.00 N ATOM 505 CA TRP A 37 7.588 8.973 -3.977 1.00 0.00 C ATOM 506 C TRP A 37 7.897 7.657 -4.657 1.00 0.00 C ATOM 507 O TRP A 37 8.448 7.631 -5.760 1.00 0.00 O ATOM 508 CB TRP A 37 6.556 9.764 -4.790 1.00 0.00 C ATOM 509 CG TRP A 37 6.018 10.992 -4.103 1.00 0.00 C ATOM 510 CD1 TRP A 37 6.496 12.270 -4.188 1.00 0.00 C ATOM 511 CD2 TRP A 37 4.881 11.048 -3.236 1.00 0.00 C ATOM 512 NE1 TRP A 37 5.718 13.112 -3.425 1.00 0.00 N ATOM 513 CE2 TRP A 37 4.726 12.385 -2.832 1.00 0.00 C ATOM 514 CE3 TRP A 37 3.982 10.095 -2.761 1.00 0.00 C ATOM 515 CZ2 TRP A 37 3.705 12.792 -1.976 1.00 0.00 C ATOM 516 CZ3 TRP A 37 2.973 10.495 -1.911 1.00 0.00 C ATOM 517 CH2 TRP A 37 2.842 11.834 -1.526 1.00 0.00 C ATOM 0 H TRP A 37 9.003 10.362 -4.577 1.00 0.00 H new ATOM 0 HA TRP A 37 7.154 8.796 -2.993 1.00 0.00 H new ATOM 0 HB2 TRP A 37 7.010 10.063 -5.735 1.00 0.00 H new ATOM 0 HB3 TRP A 37 5.722 9.105 -5.032 1.00 0.00 H new ATOM 0 HD1 TRP A 37 7.355 12.574 -4.767 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.860 14.117 -3.320 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.074 9.060 -3.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.600 13.825 -1.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.273 9.763 -1.536 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.041 12.116 -0.859 1.00 0.00 H new ATOM 528 N LYS A 38 7.582 6.590 -3.989 1.00 0.00 N ATOM 529 CA LYS A 38 7.810 5.253 -4.481 1.00 0.00 C ATOM 530 C LYS A 38 6.482 4.587 -4.722 1.00 0.00 C ATOM 531 O LYS A 38 5.497 4.895 -4.044 1.00 0.00 O ATOM 532 CB LYS A 38 8.635 4.446 -3.464 1.00 0.00 C ATOM 533 CG LYS A 38 10.090 4.908 -3.315 1.00 0.00 C ATOM 534 CD LYS A 38 10.927 4.598 -4.561 1.00 0.00 C ATOM 535 CE LYS A 38 11.122 3.092 -4.743 1.00 0.00 C ATOM 536 NZ LYS A 38 11.839 2.742 -5.998 1.00 0.00 N ATOM 0 H LYS A 38 7.149 6.618 -3.066 1.00 0.00 H new ATOM 0 HA LYS A 38 8.369 5.298 -5.415 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.147 4.505 -2.491 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.629 3.397 -3.761 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.111 5.981 -3.123 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.537 4.421 -2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.437 5.012 -5.442 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.899 5.085 -4.478 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.679 2.699 -3.892 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.148 2.603 -4.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.940 1.709 -6.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.298 3.090 -6.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.781 3.182 -5.994 1.00 0.00 H new ATOM 550 N LYS A 39 6.438 3.699 -5.675 1.00 0.00 N ATOM 551 CA LYS A 39 5.214 3.046 -6.025 1.00 0.00 C ATOM 552 C LYS A 39 5.046 1.740 -5.253 1.00 0.00 C ATOM 553 O LYS A 39 5.881 0.824 -5.327 1.00 0.00 O ATOM 554 CB LYS A 39 5.140 2.809 -7.534 1.00 0.00 C ATOM 555 CG LYS A 39 3.848 2.159 -7.998 1.00 0.00 C ATOM 556 CD LYS A 39 3.847 1.949 -9.500 1.00 0.00 C ATOM 557 CE LYS A 39 2.689 1.072 -9.934 1.00 0.00 C ATOM 558 NZ LYS A 39 2.823 -0.306 -9.419 1.00 0.00 N ATOM 0 H LYS A 39 7.246 3.411 -6.227 1.00 0.00 H new ATOM 0 HA LYS A 39 4.389 3.702 -5.745 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.258 3.763 -8.047 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.978 2.180 -7.834 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.719 1.201 -7.494 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.001 2.785 -7.715 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.784 2.913 -10.004 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.787 1.490 -9.806 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.753 1.503 -9.579 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.637 1.050 -11.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.233 -0.948 -9.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.817 -0.605 -9.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.513 -0.337 -8.427 1.00 0.00 H new ATOM 572 N ASN A 40 3.981 1.686 -4.510 1.00 0.00 N ATOM 573 CA ASN A 40 3.575 0.527 -3.739 1.00 0.00 C ATOM 574 C ASN A 40 2.795 -0.392 -4.672 1.00 0.00 C ATOM 575 O ASN A 40 2.104 0.094 -5.592 1.00 0.00 O ATOM 576 CB ASN A 40 2.687 1.024 -2.549 1.00 0.00 C ATOM 577 CG ASN A 40 2.101 -0.040 -1.610 1.00 0.00 C ATOM 578 OD1 ASN A 40 1.780 -1.152 -2.002 1.00 0.00 O ATOM 579 ND2 ASN A 40 1.955 0.315 -0.363 1.00 0.00 N ATOM 0 H ASN A 40 3.340 2.474 -4.414 1.00 0.00 H new ATOM 0 HA ASN A 40 4.425 -0.020 -3.331 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.283 1.711 -1.948 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.859 1.599 -2.964 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.564 -0.342 0.312 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.231 1.250 -0.063 1.00 0.00 H new ATOM 586 N GLN A 41 2.896 -1.693 -4.438 1.00 0.00 N ATOM 587 CA GLN A 41 2.242 -2.728 -5.243 1.00 0.00 C ATOM 588 C GLN A 41 0.722 -2.482 -5.372 1.00 0.00 C ATOM 589 O GLN A 41 0.122 -2.810 -6.398 1.00 0.00 O ATOM 590 CB GLN A 41 2.573 -4.128 -4.640 1.00 0.00 C ATOM 591 CG GLN A 41 1.970 -5.355 -5.353 1.00 0.00 C ATOM 592 CD GLN A 41 0.502 -5.593 -5.029 1.00 0.00 C ATOM 593 OE1 GLN A 41 0.033 -5.282 -3.923 1.00 0.00 O ATOM 594 NE2 GLN A 41 -0.232 -6.121 -5.973 1.00 0.00 N ATOM 0 H GLN A 41 3.446 -2.072 -3.667 1.00 0.00 H new ATOM 0 HA GLN A 41 2.630 -2.690 -6.261 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.657 -4.243 -4.625 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.237 -4.139 -3.603 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.079 -5.228 -6.430 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.542 -6.241 -5.077 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.188 -6.364 -6.870 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.225 -6.290 -5.813 1.00 0.00 H new ATOM 603 N TYR A 42 0.122 -1.835 -4.373 1.00 0.00 N ATOM 604 CA TYR A 42 -1.324 -1.570 -4.379 1.00 0.00 C ATOM 605 C TYR A 42 -1.707 -0.454 -5.368 1.00 0.00 C ATOM 606 O TYR A 42 -2.892 -0.189 -5.595 1.00 0.00 O ATOM 607 CB TYR A 42 -1.824 -1.176 -2.977 1.00 0.00 C ATOM 608 CG TYR A 42 -1.742 -2.260 -1.922 1.00 0.00 C ATOM 609 CD1 TYR A 42 -2.443 -3.448 -2.063 1.00 0.00 C ATOM 610 CD2 TYR A 42 -0.995 -2.076 -0.770 1.00 0.00 C ATOM 611 CE1 TYR A 42 -2.394 -4.424 -1.090 1.00 0.00 C ATOM 612 CE2 TYR A 42 -0.939 -3.049 0.207 1.00 0.00 C ATOM 613 CZ TYR A 42 -1.640 -4.220 0.043 1.00 0.00 C ATOM 614 OH TYR A 42 -1.588 -5.198 1.017 1.00 0.00 O ATOM 0 H TYR A 42 0.610 -1.484 -3.549 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.800 -2.499 -4.695 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -1.248 -0.317 -2.634 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -2.862 -0.852 -3.059 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -3.037 -3.612 -2.950 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.447 -1.155 -0.634 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.945 -5.344 -1.217 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.347 -2.891 1.096 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.012 -4.899 1.751 1.00 0.00 H new ATOM 624 N GLY A 43 -0.717 0.181 -5.964 1.00 0.00 N ATOM 625 CA GLY A 43 -0.984 1.267 -6.880 1.00 0.00 C ATOM 626 C GLY A 43 -1.063 2.562 -6.138 1.00 0.00 C ATOM 627 O GLY A 43 -1.724 3.511 -6.558 1.00 0.00 O ATOM 0 H GLY A 43 0.271 -0.035 -5.831 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.198 1.319 -7.633 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.920 1.085 -7.408 1.00 0.00 H new ATOM 631 N THR A 44 -0.451 2.563 -5.000 1.00 0.00 N ATOM 632 CA THR A 44 -0.379 3.704 -4.167 1.00 0.00 C ATOM 633 C THR A 44 1.032 4.258 -4.264 1.00 0.00 C ATOM 634 O THR A 44 1.984 3.493 -4.334 1.00 0.00 O ATOM 635 CB THR A 44 -0.667 3.280 -2.723 1.00 0.00 C ATOM 636 OG1 THR A 44 -1.849 2.477 -2.722 1.00 0.00 O ATOM 637 CG2 THR A 44 -0.890 4.488 -1.839 1.00 0.00 C ATOM 0 H THR A 44 0.024 1.745 -4.619 1.00 0.00 H new ATOM 0 HA THR A 44 -1.104 4.459 -4.471 1.00 0.00 H new ATOM 0 HB THR A 44 0.186 2.724 -2.335 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.572 2.958 -3.177 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.092 4.160 -0.819 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.001 5.115 -1.848 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.740 5.060 -2.212 1.00 0.00 H new ATOM 645 N TRP A 45 1.167 5.531 -4.325 1.00 0.00 N ATOM 646 CA TRP A 45 2.474 6.135 -4.325 1.00 0.00 C ATOM 647 C TRP A 45 2.715 6.675 -2.947 1.00 0.00 C ATOM 648 O TRP A 45 1.828 7.284 -2.381 1.00 0.00 O ATOM 649 CB TRP A 45 2.558 7.230 -5.378 1.00 0.00 C ATOM 650 CG TRP A 45 2.510 6.699 -6.784 1.00 0.00 C ATOM 651 CD1 TRP A 45 1.405 6.311 -7.497 1.00 0.00 C ATOM 652 CD2 TRP A 45 3.629 6.513 -7.652 1.00 0.00 C ATOM 653 NE1 TRP A 45 1.781 5.881 -8.748 1.00 0.00 N ATOM 654 CE2 TRP A 45 3.141 6.000 -8.866 1.00 0.00 C ATOM 655 CE3 TRP A 45 5.004 6.728 -7.514 1.00 0.00 C ATOM 656 CZ2 TRP A 45 3.977 5.703 -9.935 1.00 0.00 C ATOM 657 CZ3 TRP A 45 5.830 6.435 -8.576 1.00 0.00 C ATOM 658 CH2 TRP A 45 5.315 5.926 -9.769 1.00 0.00 C ATOM 0 H TRP A 45 0.391 6.191 -4.376 1.00 0.00 H new ATOM 0 HA TRP A 45 3.241 5.403 -4.577 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.736 7.931 -5.232 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.483 7.790 -5.239 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.390 6.339 -7.130 1.00 0.00 H new ATOM 0 HE1 TRP A 45 1.151 5.531 -9.470 1.00 0.00 H new ATOM 0 HE3 TRP A 45 5.410 7.117 -6.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.585 5.311 -10.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.893 6.602 -8.484 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.991 5.703 -10.581 1.00 0.00 H new ATOM 669 N TYR A 46 3.857 6.424 -2.381 1.00 0.00 N ATOM 670 CA TYR A 46 4.080 6.842 -1.019 1.00 0.00 C ATOM 671 C TYR A 46 5.463 7.405 -0.813 1.00 0.00 C ATOM 672 O TYR A 46 6.374 7.141 -1.589 1.00 0.00 O ATOM 673 CB TYR A 46 3.844 5.675 -0.040 1.00 0.00 C ATOM 674 CG TYR A 46 4.884 4.566 -0.083 1.00 0.00 C ATOM 675 CD1 TYR A 46 4.833 3.561 -1.033 1.00 0.00 C ATOM 676 CD2 TYR A 46 5.914 4.528 0.851 1.00 0.00 C ATOM 677 CE1 TYR A 46 5.778 2.551 -1.054 1.00 0.00 C ATOM 678 CE2 TYR A 46 6.855 3.525 0.841 1.00 0.00 C ATOM 679 CZ TYR A 46 6.783 2.540 -0.109 1.00 0.00 C ATOM 680 OH TYR A 46 7.718 1.531 -0.111 1.00 0.00 O ATOM 0 H TYR A 46 4.638 5.942 -2.825 1.00 0.00 H new ATOM 0 HA TYR A 46 3.361 7.636 -0.815 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.806 6.075 0.973 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.866 5.241 -0.248 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.043 3.565 -1.769 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.976 5.303 1.600 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.729 1.776 -1.805 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.645 3.514 1.577 1.00 0.00 H new ATOM 0 HH TYR A 46 8.356 1.674 0.619 1.00 0.00 H new ATOM 690 N LYS A 47 5.595 8.175 0.231 1.00 0.00 N ATOM 691 CA LYS A 47 6.852 8.707 0.660 1.00 0.00 C ATOM 692 C LYS A 47 6.868 8.652 2.189 1.00 0.00 C ATOM 693 O LYS A 47 5.852 8.969 2.836 1.00 0.00 O ATOM 694 CB LYS A 47 7.065 10.166 0.161 1.00 0.00 C ATOM 695 CG LYS A 47 6.148 11.209 0.796 1.00 0.00 C ATOM 696 CD LYS A 47 6.434 12.607 0.269 1.00 0.00 C ATOM 697 CE LYS A 47 5.642 13.659 1.036 1.00 0.00 C ATOM 698 NZ LYS A 47 6.103 13.763 2.435 1.00 0.00 N ATOM 0 H LYS A 47 4.810 8.455 0.819 1.00 0.00 H new ATOM 0 HA LYS A 47 7.666 8.118 0.238 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.100 10.451 0.351 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.922 10.188 -0.919 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.109 10.950 0.595 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.276 11.195 1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.500 12.819 0.352 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.181 12.658 -0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.746 14.626 0.544 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.582 13.404 1.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.283 13.884 3.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.615 12.896 2.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.737 14.582 2.532 1.00 0.00 H new ATOM 712 N PRO A 48 7.954 8.194 2.798 1.00 0.00 N ATOM 713 CA PRO A 48 8.058 8.159 4.253 1.00 0.00 C ATOM 714 C PRO A 48 8.193 9.579 4.818 1.00 0.00 C ATOM 715 O PRO A 48 8.936 10.404 4.271 1.00 0.00 O ATOM 716 CB PRO A 48 9.335 7.347 4.505 1.00 0.00 C ATOM 717 CG PRO A 48 10.143 7.496 3.259 1.00 0.00 C ATOM 718 CD PRO A 48 9.159 7.657 2.131 1.00 0.00 C ATOM 0 HA PRO A 48 7.181 7.725 4.733 1.00 0.00 H new ATOM 0 HB2 PRO A 48 9.876 7.723 5.373 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.104 6.300 4.702 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.803 8.361 3.325 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.776 6.623 3.100 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.532 8.339 1.367 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.955 6.707 1.638 1.00 0.00 H new ATOM 726 N GLU A 49 7.447 9.872 5.857 1.00 0.00 N ATOM 727 CA GLU A 49 7.485 11.165 6.507 1.00 0.00 C ATOM 728 C GLU A 49 6.848 11.074 7.863 1.00 0.00 C ATOM 729 O GLU A 49 5.682 10.702 7.982 1.00 0.00 O ATOM 730 CB GLU A 49 6.779 12.240 5.658 1.00 0.00 C ATOM 731 CG GLU A 49 6.602 13.585 6.353 1.00 0.00 C ATOM 732 CD GLU A 49 6.144 14.672 5.418 1.00 0.00 C ATOM 733 OE1 GLU A 49 5.087 14.531 4.777 1.00 0.00 O ATOM 734 OE2 GLU A 49 6.867 15.665 5.255 1.00 0.00 O ATOM 0 H GLU A 49 6.791 9.216 6.280 1.00 0.00 H new ATOM 0 HA GLU A 49 8.529 11.459 6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.349 12.392 4.741 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.798 11.866 5.365 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.878 13.478 7.161 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.547 13.880 6.809 1.00 0.00 H new ATOM 741 N ASN A 50 7.602 11.398 8.877 1.00 0.00 N ATOM 742 CA ASN A 50 7.079 11.401 10.213 1.00 0.00 C ATOM 743 C ASN A 50 6.641 12.803 10.557 1.00 0.00 C ATOM 744 O ASN A 50 7.474 13.702 10.761 1.00 0.00 O ATOM 745 CB ASN A 50 8.114 10.883 11.226 1.00 0.00 C ATOM 746 CG ASN A 50 7.558 10.791 12.649 1.00 0.00 C ATOM 747 OD1 ASN A 50 7.627 11.749 13.426 1.00 0.00 O ATOM 748 ND2 ASN A 50 7.019 9.644 13.004 1.00 0.00 N ATOM 0 H ASN A 50 8.584 11.664 8.802 1.00 0.00 H new ATOM 0 HA ASN A 50 6.225 10.726 10.264 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.461 9.899 10.912 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.981 11.543 11.222 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.643 9.527 13.945 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.978 8.872 12.338 1.00 0.00 H new ATOM 755 N ALA A 51 5.364 12.998 10.576 1.00 0.00 N ATOM 756 CA ALA A 51 4.772 14.281 10.855 1.00 0.00 C ATOM 757 C ALA A 51 3.510 14.052 11.639 1.00 0.00 C ATOM 758 O ALA A 51 3.048 12.917 11.735 1.00 0.00 O ATOM 759 CB ALA A 51 4.490 15.025 9.569 1.00 0.00 C ATOM 0 H ALA A 51 4.683 12.261 10.396 1.00 0.00 H new ATOM 0 HA ALA A 51 5.458 14.896 11.438 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.043 15.992 9.799 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.422 15.176 9.024 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.802 14.444 8.956 1.00 0.00 H new ATOM 765 N THR A 52 2.941 15.079 12.180 1.00 0.00 N ATOM 766 CA THR A 52 1.801 14.917 13.031 1.00 0.00 C ATOM 767 C THR A 52 0.529 15.440 12.360 1.00 0.00 C ATOM 768 O THR A 52 0.559 16.424 11.649 1.00 0.00 O ATOM 769 CB THR A 52 2.065 15.645 14.357 1.00 0.00 C ATOM 770 OG1 THR A 52 3.365 15.253 14.828 1.00 0.00 O ATOM 771 CG2 THR A 52 1.032 15.269 15.406 1.00 0.00 C ATOM 0 H THR A 52 3.246 16.044 12.049 1.00 0.00 H new ATOM 0 HA THR A 52 1.645 13.856 13.224 1.00 0.00 H new ATOM 0 HB THR A 52 2.008 16.721 14.190 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.557 15.708 15.675 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.245 15.800 16.334 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.038 15.542 15.052 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.071 14.195 15.586 1.00 0.00 H new ATOM 779 N PHE A 53 -0.554 14.746 12.545 1.00 0.00 N ATOM 780 CA PHE A 53 -1.828 15.155 12.034 1.00 0.00 C ATOM 781 C PHE A 53 -2.783 15.310 13.195 1.00 0.00 C ATOM 782 O PHE A 53 -2.819 14.467 14.094 1.00 0.00 O ATOM 783 CB PHE A 53 -2.367 14.119 11.034 1.00 0.00 C ATOM 784 CG PHE A 53 -3.708 14.463 10.446 1.00 0.00 C ATOM 785 CD1 PHE A 53 -3.815 15.405 9.442 1.00 0.00 C ATOM 786 CD2 PHE A 53 -4.859 13.840 10.897 1.00 0.00 C ATOM 787 CE1 PHE A 53 -5.041 15.722 8.899 1.00 0.00 C ATOM 788 CE2 PHE A 53 -6.086 14.152 10.358 1.00 0.00 C ATOM 789 CZ PHE A 53 -6.178 15.093 9.359 1.00 0.00 C ATOM 0 H PHE A 53 -0.578 13.867 13.062 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.725 16.104 11.508 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.647 14.005 10.224 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.440 13.153 11.534 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.927 15.899 9.078 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.793 13.100 11.681 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.111 16.461 8.115 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.976 13.658 10.719 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.141 15.339 8.935 1.00 0.00 H new ATOM 799 N VAL A 54 -3.504 16.388 13.211 1.00 0.00 N ATOM 800 CA VAL A 54 -4.474 16.626 14.242 1.00 0.00 C ATOM 801 C VAL A 54 -5.838 16.747 13.595 1.00 0.00 C ATOM 802 O VAL A 54 -6.035 17.608 12.741 1.00 0.00 O ATOM 803 CB VAL A 54 -4.166 17.919 15.054 1.00 0.00 C ATOM 804 CG1 VAL A 54 -5.152 18.082 16.202 1.00 0.00 C ATOM 805 CG2 VAL A 54 -2.737 17.912 15.584 1.00 0.00 C ATOM 0 H VAL A 54 -3.439 17.128 12.512 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.444 15.791 14.942 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.273 18.767 14.377 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.918 18.991 16.756 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.165 18.149 15.805 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.080 17.223 16.869 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.553 18.828 16.146 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.595 17.051 16.237 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.039 17.853 14.749 1.00 0.00 H new ATOM 815 N ASN A 55 -6.747 15.871 13.967 1.00 0.00 N ATOM 816 CA ASN A 55 -8.117 15.876 13.426 1.00 0.00 C ATOM 817 C ASN A 55 -8.829 17.179 13.708 1.00 0.00 C ATOM 818 O ASN A 55 -8.628 17.798 14.771 1.00 0.00 O ATOM 819 CB ASN A 55 -8.960 14.714 13.968 1.00 0.00 C ATOM 820 CG ASN A 55 -8.603 13.370 13.374 1.00 0.00 C ATOM 821 OD1 ASN A 55 -7.473 13.113 13.009 1.00 0.00 O ATOM 822 ND2 ASN A 55 -9.570 12.502 13.283 1.00 0.00 N ATOM 0 H ASN A 55 -6.572 15.133 14.649 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.010 15.755 12.348 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.841 14.665 15.050 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.012 14.919 13.772 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.389 11.576 12.896 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.508 12.749 13.598 1.00 0.00 H new ATOM 829 N GLY A 56 -9.668 17.587 12.772 1.00 0.00 N ATOM 830 CA GLY A 56 -10.391 18.828 12.893 1.00 0.00 C ATOM 831 C GLY A 56 -11.635 18.714 13.755 1.00 0.00 C ATOM 832 O GLY A 56 -11.564 18.309 14.919 1.00 0.00 O ATOM 0 H GLY A 56 -9.862 17.068 11.916 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.731 19.585 13.317 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.676 19.173 11.899 1.00 0.00 H new ATOM 836 N ASN A 57 -12.777 19.045 13.193 1.00 0.00 N ATOM 837 CA ASN A 57 -14.025 19.067 13.963 1.00 0.00 C ATOM 838 C ASN A 57 -14.812 17.779 13.819 1.00 0.00 C ATOM 839 O ASN A 57 -15.830 17.591 14.494 1.00 0.00 O ATOM 840 CB ASN A 57 -14.928 20.253 13.566 1.00 0.00 C ATOM 841 CG ASN A 57 -15.511 20.155 12.151 1.00 0.00 C ATOM 842 OD1 ASN A 57 -14.899 19.594 11.233 1.00 0.00 O ATOM 843 ND2 ASN A 57 -16.694 20.681 11.973 1.00 0.00 N ATOM 0 H ASN A 57 -12.879 19.303 12.211 1.00 0.00 H new ATOM 0 HA ASN A 57 -13.724 19.181 15.004 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -15.748 20.325 14.280 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -14.353 21.175 13.647 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -17.139 20.636 11.057 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -17.172 21.136 12.751 1.00 0.00 H new ATOM 850 N GLN A 58 -14.367 16.902 12.963 1.00 0.00 N ATOM 851 CA GLN A 58 -15.077 15.669 12.750 1.00 0.00 C ATOM 852 C GLN A 58 -14.184 14.483 13.048 1.00 0.00 C ATOM 853 O GLN A 58 -12.954 14.576 12.901 1.00 0.00 O ATOM 854 CB GLN A 58 -15.604 15.547 11.300 1.00 0.00 C ATOM 855 CG GLN A 58 -14.515 15.460 10.227 1.00 0.00 C ATOM 856 CD GLN A 58 -15.057 15.064 8.862 1.00 0.00 C ATOM 857 OE1 GLN A 58 -16.199 15.363 8.507 1.00 0.00 O ATOM 858 NE2 GLN A 58 -14.261 14.365 8.100 1.00 0.00 N ATOM 0 H GLN A 58 -13.521 17.015 12.404 1.00 0.00 H new ATOM 0 HA GLN A 58 -15.929 15.675 13.429 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -16.234 14.661 11.231 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -16.238 16.407 11.085 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -14.013 16.424 10.147 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -13.763 14.735 10.538 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -13.321 14.133 8.421 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -14.579 14.051 7.183 1.00 0.00 H new ATOM 867 N PRO A 59 -14.763 13.384 13.532 1.00 0.00 N ATOM 868 CA PRO A 59 -14.063 12.130 13.618 1.00 0.00 C ATOM 869 C PRO A 59 -13.914 11.584 12.210 1.00 0.00 C ATOM 870 O PRO A 59 -14.872 11.603 11.416 1.00 0.00 O ATOM 871 CB PRO A 59 -15.001 11.220 14.429 1.00 0.00 C ATOM 872 CG PRO A 59 -16.014 12.132 15.012 1.00 0.00 C ATOM 873 CD PRO A 59 -16.127 13.280 14.065 1.00 0.00 C ATOM 0 HA PRO A 59 -13.076 12.209 14.073 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.467 10.468 13.793 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.456 10.686 15.208 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -16.973 11.627 15.129 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -15.710 12.471 16.002 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -16.857 13.088 13.279 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -16.437 14.195 14.570 1.00 0.00 H new ATOM 881 N ILE A 60 -12.767 11.107 11.894 1.00 0.00 N ATOM 882 CA ILE A 60 -12.509 10.648 10.571 1.00 0.00 C ATOM 883 C ILE A 60 -12.440 9.150 10.614 1.00 0.00 C ATOM 884 O ILE A 60 -11.744 8.581 11.460 1.00 0.00 O ATOM 885 CB ILE A 60 -11.173 11.220 10.015 1.00 0.00 C ATOM 886 CG1 ILE A 60 -11.159 12.756 10.114 1.00 0.00 C ATOM 887 CG2 ILE A 60 -10.986 10.792 8.561 1.00 0.00 C ATOM 888 CD1 ILE A 60 -9.853 13.391 9.676 1.00 0.00 C ATOM 0 H ILE A 60 -11.981 11.022 12.538 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.306 10.988 9.910 1.00 0.00 H new ATOM 0 HB ILE A 60 -10.352 10.825 10.614 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -11.968 13.156 9.504 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -11.364 13.045 11.145 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.048 11.197 8.180 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -10.962 9.704 8.502 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -11.814 11.169 7.961 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -9.924 14.474 9.775 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -9.041 13.021 10.302 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.655 13.134 8.635 1.00 0.00 H new ATOM 900 N VAL A 61 -13.192 8.512 9.768 1.00 0.00 N ATOM 901 CA VAL A 61 -13.183 7.085 9.721 1.00 0.00 C ATOM 902 C VAL A 61 -11.923 6.642 8.954 1.00 0.00 C ATOM 903 O VAL A 61 -11.545 7.262 7.946 1.00 0.00 O ATOM 904 CB VAL A 61 -14.497 6.532 9.090 1.00 0.00 C ATOM 905 CG1 VAL A 61 -14.564 6.711 7.576 1.00 0.00 C ATOM 906 CG2 VAL A 61 -14.753 5.104 9.510 1.00 0.00 C ATOM 0 H VAL A 61 -13.820 8.960 9.101 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.147 6.671 10.729 1.00 0.00 H new ATOM 0 HB VAL A 61 -15.308 7.142 9.488 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -15.504 6.304 7.203 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.505 7.772 7.332 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.731 6.185 7.110 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -15.677 4.750 9.052 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -13.923 4.475 9.186 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -14.844 5.055 10.595 1.00 0.00 H new ATOM 916 N THR A 62 -11.251 5.647 9.448 1.00 0.00 N ATOM 917 CA THR A 62 -10.004 5.239 8.881 1.00 0.00 C ATOM 918 C THR A 62 -10.090 3.846 8.242 1.00 0.00 C ATOM 919 O THR A 62 -11.069 3.093 8.458 1.00 0.00 O ATOM 920 CB THR A 62 -8.892 5.298 9.953 1.00 0.00 C ATOM 921 OG1 THR A 62 -9.289 4.554 11.112 1.00 0.00 O ATOM 922 CG2 THR A 62 -8.619 6.735 10.370 1.00 0.00 C ATOM 0 H THR A 62 -11.551 5.097 10.253 1.00 0.00 H new ATOM 0 HA THR A 62 -9.755 5.934 8.079 1.00 0.00 H new ATOM 0 HB THR A 62 -7.987 4.869 9.522 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.657 4.724 11.842 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.833 6.752 11.125 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.300 7.312 9.502 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.528 7.173 10.783 1.00 0.00 H new ATOM 930 N ARG A 63 -9.111 3.520 7.424 1.00 0.00 N ATOM 931 CA ARG A 63 -9.063 2.248 6.739 1.00 0.00 C ATOM 932 C ARG A 63 -7.950 1.409 7.324 1.00 0.00 C ATOM 933 O ARG A 63 -6.910 1.939 7.739 1.00 0.00 O ATOM 934 CB ARG A 63 -8.827 2.435 5.242 1.00 0.00 C ATOM 935 CG ARG A 63 -9.846 3.307 4.489 1.00 0.00 C ATOM 936 CD ARG A 63 -11.269 2.748 4.458 1.00 0.00 C ATOM 937 NE ARG A 63 -11.954 2.858 5.741 1.00 0.00 N ATOM 938 CZ ARG A 63 -13.219 3.241 5.908 1.00 0.00 C ATOM 939 NH1 ARG A 63 -13.953 3.650 4.876 1.00 0.00 N ATOM 940 NH2 ARG A 63 -13.733 3.247 7.121 1.00 0.00 N ATOM 0 H ARG A 63 -8.323 4.134 7.216 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.022 1.748 6.873 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.838 2.871 5.105 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.809 1.451 4.774 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.869 4.295 4.950 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.501 3.441 3.464 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.845 3.277 3.699 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.235 1.700 4.159 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.421 2.623 6.578 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.548 3.674 3.940 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.920 3.940 5.021 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.164 2.961 7.918 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.700 3.538 7.264 1.00 0.00 H new ATOM 954 N ILE A 64 -8.149 0.126 7.347 1.00 0.00 N ATOM 955 CA ILE A 64 -7.200 -0.771 7.952 1.00 0.00 C ATOM 956 C ILE A 64 -6.289 -1.436 6.921 1.00 0.00 C ATOM 957 O ILE A 64 -6.761 -2.048 5.957 1.00 0.00 O ATOM 958 CB ILE A 64 -7.919 -1.853 8.808 1.00 0.00 C ATOM 959 CG1 ILE A 64 -8.686 -1.185 9.962 1.00 0.00 C ATOM 960 CG2 ILE A 64 -6.929 -2.894 9.336 1.00 0.00 C ATOM 961 CD1 ILE A 64 -9.446 -2.149 10.846 1.00 0.00 C ATOM 0 H ILE A 64 -8.969 -0.332 6.950 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.572 -0.164 8.604 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.632 -2.378 8.172 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.980 -0.627 10.577 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.388 -0.462 9.546 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.463 -3.636 9.930 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.437 -3.387 8.497 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.181 -2.402 9.957 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.958 -1.595 11.633 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -10.179 -2.690 10.248 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.750 -2.857 11.295 1.00 0.00 H new ATOM 973 N GLY A 65 -4.995 -1.253 7.119 1.00 0.00 N ATOM 974 CA GLY A 65 -3.941 -1.948 6.383 1.00 0.00 C ATOM 975 C GLY A 65 -3.727 -1.581 4.923 1.00 0.00 C ATOM 976 O GLY A 65 -2.645 -1.826 4.391 1.00 0.00 O ATOM 0 H GLY A 65 -4.634 -0.600 7.814 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.001 -1.782 6.910 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.149 -3.017 6.431 1.00 0.00 H new ATOM 980 N SER A 66 -4.699 -1.031 4.262 1.00 0.00 N ATOM 981 CA SER A 66 -4.537 -0.703 2.863 1.00 0.00 C ATOM 982 C SER A 66 -5.196 0.631 2.533 1.00 0.00 C ATOM 983 O SER A 66 -6.279 0.924 3.041 1.00 0.00 O ATOM 984 CB SER A 66 -5.142 -1.821 1.994 1.00 0.00 C ATOM 985 OG SER A 66 -4.543 -3.082 2.294 1.00 0.00 O ATOM 0 H SER A 66 -5.610 -0.798 4.657 1.00 0.00 H new ATOM 0 HA SER A 66 -3.471 -0.615 2.651 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.218 -1.876 2.162 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.996 -1.586 0.940 1.00 0.00 H new ATOM 0 HG SER A 66 -4.944 -3.777 1.731 1.00 0.00 H new ATOM 991 N PRO A 67 -4.528 1.494 1.756 1.00 0.00 N ATOM 992 CA PRO A 67 -5.138 2.703 1.267 1.00 0.00 C ATOM 993 C PRO A 67 -5.825 2.450 -0.092 1.00 0.00 C ATOM 994 O PRO A 67 -5.179 2.108 -1.079 1.00 0.00 O ATOM 995 CB PRO A 67 -3.950 3.661 1.115 1.00 0.00 C ATOM 996 CG PRO A 67 -2.725 2.791 0.998 1.00 0.00 C ATOM 997 CD PRO A 67 -3.130 1.371 1.322 1.00 0.00 C ATOM 0 HA PRO A 67 -5.914 3.093 1.926 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.067 4.290 0.233 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.874 4.328 1.974 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.311 2.849 -0.008 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.948 3.132 1.683 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.037 0.721 0.452 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.504 0.946 2.106 1.00 0.00 H new ATOM 1005 N PHE A 68 -7.117 2.674 -0.118 1.00 0.00 N ATOM 1006 CA PHE A 68 -8.002 2.466 -1.258 1.00 0.00 C ATOM 1007 C PHE A 68 -9.293 3.118 -0.902 1.00 0.00 C ATOM 1008 O PHE A 68 -9.500 3.453 0.264 1.00 0.00 O ATOM 1009 CB PHE A 68 -8.318 0.970 -1.531 1.00 0.00 C ATOM 1010 CG PHE A 68 -7.233 0.134 -2.141 1.00 0.00 C ATOM 1011 CD1 PHE A 68 -6.850 0.332 -3.456 1.00 0.00 C ATOM 1012 CD2 PHE A 68 -6.629 -0.878 -1.416 1.00 0.00 C ATOM 1013 CE1 PHE A 68 -5.884 -0.458 -4.034 1.00 0.00 C ATOM 1014 CE2 PHE A 68 -5.658 -1.667 -1.988 1.00 0.00 C ATOM 1015 CZ PHE A 68 -5.286 -1.458 -3.301 1.00 0.00 C ATOM 0 H PHE A 68 -7.615 3.027 0.699 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.515 2.868 -2.146 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -8.607 0.509 -0.586 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.187 0.924 -2.187 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.315 1.116 -4.035 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.923 -1.050 -0.391 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.595 -0.294 -5.062 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.187 -2.449 -1.411 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.526 -2.079 -3.753 1.00 0.00 H new ATOM 1025 N LEU A 69 -10.182 3.261 -1.850 1.00 0.00 N ATOM 1026 CA LEU A 69 -11.491 3.826 -1.553 1.00 0.00 C ATOM 1027 C LEU A 69 -12.459 2.723 -1.141 1.00 0.00 C ATOM 1028 O LEU A 69 -13.569 2.981 -0.678 1.00 0.00 O ATOM 1029 CB LEU A 69 -12.063 4.653 -2.734 1.00 0.00 C ATOM 1030 CG LEU A 69 -11.393 6.020 -3.049 1.00 0.00 C ATOM 1031 CD1 LEU A 69 -11.358 6.918 -1.818 1.00 0.00 C ATOM 1032 CD2 LEU A 69 -10.001 5.867 -3.656 1.00 0.00 C ATOM 0 H LEU A 69 -10.036 3.001 -2.825 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.365 4.519 -0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.008 4.038 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.119 4.835 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.014 6.501 -3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.883 7.866 -2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.375 7.103 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.790 6.429 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.581 6.853 -3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.357 5.332 -2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.070 5.307 -4.588 1.00 0.00 H new ATOM 1044 N ASN A 70 -12.016 1.497 -1.300 1.00 0.00 N ATOM 1045 CA ASN A 70 -12.797 0.310 -0.955 1.00 0.00 C ATOM 1046 C ASN A 70 -12.109 -0.468 0.157 1.00 0.00 C ATOM 1047 O ASN A 70 -12.454 -1.612 0.438 1.00 0.00 O ATOM 1048 CB ASN A 70 -12.989 -0.600 -2.197 1.00 0.00 C ATOM 1049 CG ASN A 70 -11.681 -1.011 -2.889 1.00 0.00 C ATOM 1050 OD1 ASN A 70 -10.622 -1.086 -2.278 1.00 0.00 O ATOM 1051 ND2 ASN A 70 -11.754 -1.281 -4.161 1.00 0.00 N ATOM 0 H ASN A 70 -11.093 1.283 -1.677 1.00 0.00 H new ATOM 0 HA ASN A 70 -13.778 0.635 -0.608 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.524 -1.500 -1.894 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.620 -0.081 -2.918 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.917 -1.563 -4.671 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.648 -1.211 -4.647 1.00 0.00 H new ATOM 1058 N ALA A 71 -11.164 0.183 0.799 1.00 0.00 N ATOM 1059 CA ALA A 71 -10.333 -0.437 1.822 1.00 0.00 C ATOM 1060 C ALA A 71 -11.149 -0.882 3.057 1.00 0.00 C ATOM 1061 O ALA A 71 -12.212 -0.298 3.348 1.00 0.00 O ATOM 1062 CB ALA A 71 -9.239 0.525 2.221 1.00 0.00 C ATOM 0 H ALA A 71 -10.945 1.164 0.629 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.896 -1.342 1.400 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.613 0.067 2.987 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.629 0.765 1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.684 1.439 2.615 1.00 0.00 H new ATOM 1068 N PRO A 72 -10.660 -1.925 3.788 1.00 0.00 N ATOM 1069 CA PRO A 72 -11.333 -2.475 4.977 1.00 0.00 C ATOM 1070 C PRO A 72 -11.647 -1.430 6.050 1.00 0.00 C ATOM 1071 O PRO A 72 -10.799 -0.586 6.405 1.00 0.00 O ATOM 1072 CB PRO A 72 -10.331 -3.496 5.523 1.00 0.00 C ATOM 1073 CG PRO A 72 -9.534 -3.902 4.340 1.00 0.00 C ATOM 1074 CD PRO A 72 -9.412 -2.672 3.491 1.00 0.00 C ATOM 0 HA PRO A 72 -12.304 -2.892 4.709 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.699 -3.058 6.296 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.839 -4.350 5.972 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.553 -4.271 4.637 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.026 -4.707 3.794 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.526 -2.092 3.748 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.334 -2.920 2.432 1.00 0.00 H new ATOM 1082 N VAL A 73 -12.855 -1.509 6.550 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.371 -0.628 7.577 1.00 0.00 C ATOM 1084 C VAL A 73 -13.083 -1.209 8.969 1.00 0.00 C ATOM 1085 O VAL A 73 -12.570 -2.336 9.087 1.00 0.00 O ATOM 1086 CB VAL A 73 -14.902 -0.383 7.412 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -15.208 0.241 6.060 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -15.693 -1.674 7.587 1.00 0.00 C ATOM 0 H VAL A 73 -13.531 -2.210 6.246 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.864 0.331 7.471 1.00 0.00 H new ATOM 0 HB VAL A 73 -15.208 0.312 8.194 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -16.282 0.402 5.968 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -14.689 1.196 5.974 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.873 -0.427 5.267 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -16.757 -1.468 7.466 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -15.376 -2.399 6.838 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.513 -2.079 8.583 1.00 0.00 H new ATOM 1098 N GLY A 74 -13.400 -0.450 9.995 1.00 0.00 N ATOM 1099 CA GLY A 74 -13.181 -0.899 11.354 1.00 0.00 C ATOM 1100 C GLY A 74 -12.235 -0.004 12.123 1.00 0.00 C ATOM 1101 O GLY A 74 -11.545 -0.457 13.047 1.00 0.00 O ATOM 0 H GLY A 74 -13.810 0.481 9.915 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -14.137 -0.943 11.876 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.781 -1.913 11.337 1.00 0.00 H new ATOM 1105 N GLY A 75 -12.208 1.263 11.760 1.00 0.00 N ATOM 1106 CA GLY A 75 -11.342 2.204 12.416 1.00 0.00 C ATOM 1107 C GLY A 75 -11.957 3.582 12.444 1.00 0.00 C ATOM 1108 O GLY A 75 -12.411 4.076 11.418 1.00 0.00 O ATOM 0 H GLY A 75 -12.779 1.658 11.013 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.143 1.871 13.435 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.383 2.241 11.900 1.00 0.00 H new ATOM 1112 N ASN A 76 -12.019 4.178 13.610 1.00 0.00 N ATOM 1113 CA ASN A 76 -12.562 5.521 13.768 1.00 0.00 C ATOM 1114 C ASN A 76 -11.571 6.393 14.525 1.00 0.00 C ATOM 1115 O ASN A 76 -11.102 6.013 15.599 1.00 0.00 O ATOM 1116 CB ASN A 76 -13.919 5.476 14.502 1.00 0.00 C ATOM 1117 CG ASN A 76 -14.545 6.854 14.702 1.00 0.00 C ATOM 1118 OD1 ASN A 76 -15.255 7.353 13.836 1.00 0.00 O ATOM 1119 ND2 ASN A 76 -14.326 7.452 15.851 1.00 0.00 N ATOM 0 H ASN A 76 -11.697 3.753 14.480 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.727 5.952 12.781 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -14.609 4.850 13.936 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -13.783 5.002 15.474 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.752 8.359 16.043 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.730 7.010 16.551 1.00 0.00 H new ATOM 1126 N LEU A 77 -11.234 7.529 13.977 1.00 0.00 N ATOM 1127 CA LEU A 77 -10.307 8.426 14.621 1.00 0.00 C ATOM 1128 C LEU A 77 -11.069 9.677 15.088 1.00 0.00 C ATOM 1129 O LEU A 77 -11.571 10.431 14.259 1.00 0.00 O ATOM 1130 CB LEU A 77 -9.189 8.795 13.640 1.00 0.00 C ATOM 1131 CG LEU A 77 -7.977 9.526 14.217 1.00 0.00 C ATOM 1132 CD1 LEU A 77 -7.299 8.677 15.281 1.00 0.00 C ATOM 1133 CD2 LEU A 77 -6.992 9.856 13.109 1.00 0.00 C ATOM 0 H LEU A 77 -11.589 7.859 13.080 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.854 7.947 15.489 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.838 7.879 13.165 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.618 9.417 12.855 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.318 10.453 14.678 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.438 9.213 15.681 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.004 8.471 16.086 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.968 7.737 14.840 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.132 10.377 13.530 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.660 8.934 12.631 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.476 10.494 12.370 1.00 0.00 H new ATOM 1145 N PRO A 78 -11.187 9.893 16.420 1.00 0.00 N ATOM 1146 CA PRO A 78 -11.967 11.013 17.001 1.00 0.00 C ATOM 1147 C PRO A 78 -11.444 12.404 16.618 1.00 0.00 C ATOM 1148 O PRO A 78 -10.309 12.563 16.179 1.00 0.00 O ATOM 1149 CB PRO A 78 -11.820 10.804 18.517 1.00 0.00 C ATOM 1150 CG PRO A 78 -10.589 9.988 18.665 1.00 0.00 C ATOM 1151 CD PRO A 78 -10.566 9.073 17.482 1.00 0.00 C ATOM 0 HA PRO A 78 -12.993 10.997 16.633 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.730 11.755 19.041 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.688 10.291 18.932 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -9.701 10.620 18.689 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -10.603 9.423 19.597 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -9.550 8.775 17.221 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -11.129 8.158 17.668 1.00 0.00 H new ATOM 1159 N ALA A 79 -12.283 13.400 16.795 1.00 0.00 N ATOM 1160 CA ALA A 79 -11.924 14.772 16.511 1.00 0.00 C ATOM 1161 C ALA A 79 -10.948 15.265 17.567 1.00 0.00 C ATOM 1162 O ALA A 79 -11.027 14.850 18.724 1.00 0.00 O ATOM 1163 CB ALA A 79 -13.166 15.650 16.492 1.00 0.00 C ATOM 0 H ALA A 79 -13.235 13.282 17.141 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.452 14.825 15.530 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.880 16.680 16.277 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.851 15.295 15.722 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.658 15.605 17.464 1.00 0.00 H new ATOM 1169 N GLY A 80 -10.006 16.100 17.168 1.00 0.00 N ATOM 1170 CA GLY A 80 -9.028 16.618 18.102 1.00 0.00 C ATOM 1171 C GLY A 80 -7.951 15.599 18.441 1.00 0.00 C ATOM 1172 O GLY A 80 -7.174 15.789 19.387 1.00 0.00 O ATOM 0 H GLY A 80 -9.899 16.431 16.209 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.562 17.508 17.679 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.532 16.927 19.017 1.00 0.00 H new ATOM 1176 N ALA A 81 -7.912 14.512 17.700 1.00 0.00 N ATOM 1177 CA ALA A 81 -6.918 13.494 17.914 1.00 0.00 C ATOM 1178 C ALA A 81 -5.608 13.920 17.302 1.00 0.00 C ATOM 1179 O ALA A 81 -5.576 14.439 16.187 1.00 0.00 O ATOM 1180 CB ALA A 81 -7.365 12.164 17.335 1.00 0.00 C ATOM 0 H ALA A 81 -8.564 14.314 16.941 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.785 13.363 18.988 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.595 11.413 17.511 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.293 11.852 17.815 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.529 12.271 16.263 1.00 0.00 H new ATOM 1186 N THR A 82 -4.556 13.749 18.041 1.00 0.00 N ATOM 1187 CA THR A 82 -3.237 14.059 17.586 1.00 0.00 C ATOM 1188 C THR A 82 -2.520 12.752 17.255 1.00 0.00 C ATOM 1189 O THR A 82 -2.216 11.965 18.149 1.00 0.00 O ATOM 1190 CB THR A 82 -2.501 14.818 18.695 1.00 0.00 C ATOM 1191 OG1 THR A 82 -3.302 15.950 19.060 1.00 0.00 O ATOM 1192 CG2 THR A 82 -1.135 15.298 18.237 1.00 0.00 C ATOM 0 H THR A 82 -4.591 13.384 18.993 1.00 0.00 H new ATOM 0 HA THR A 82 -3.266 14.684 16.693 1.00 0.00 H new ATOM 0 HB THR A 82 -2.348 14.148 19.541 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.853 16.453 19.771 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.645 15.831 19.051 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.527 14.441 17.947 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.251 15.966 17.384 1.00 0.00 H new ATOM 1200 N ILE A 83 -2.310 12.505 15.986 1.00 0.00 N ATOM 1201 CA ILE A 83 -1.703 11.271 15.542 1.00 0.00 C ATOM 1202 C ILE A 83 -0.471 11.556 14.703 1.00 0.00 C ATOM 1203 O ILE A 83 -0.521 12.331 13.749 1.00 0.00 O ATOM 1204 CB ILE A 83 -2.709 10.413 14.717 1.00 0.00 C ATOM 1205 CG1 ILE A 83 -3.922 9.988 15.569 1.00 0.00 C ATOM 1206 CG2 ILE A 83 -2.033 9.195 14.105 1.00 0.00 C ATOM 1207 CD1 ILE A 83 -3.587 9.122 16.777 1.00 0.00 C ATOM 0 H ILE A 83 -2.553 13.149 15.233 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.413 10.709 16.429 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.072 11.042 13.904 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.436 10.885 15.915 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.621 9.444 14.933 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.764 8.620 13.537 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.231 9.519 13.441 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.618 8.572 14.898 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.503 8.875 17.313 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.102 8.204 16.444 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.915 9.667 17.440 1.00 0.00 H new ATOM 1219 N VAL A 84 0.625 10.965 15.072 1.00 0.00 N ATOM 1220 CA VAL A 84 1.830 11.092 14.320 1.00 0.00 C ATOM 1221 C VAL A 84 1.904 9.969 13.273 1.00 0.00 C ATOM 1222 O VAL A 84 1.791 8.774 13.594 1.00 0.00 O ATOM 1223 CB VAL A 84 3.105 11.138 15.236 1.00 0.00 C ATOM 1224 CG1 VAL A 84 3.297 9.862 16.045 1.00 0.00 C ATOM 1225 CG2 VAL A 84 4.348 11.465 14.433 1.00 0.00 C ATOM 0 H VAL A 84 0.706 10.381 15.904 1.00 0.00 H new ATOM 0 HA VAL A 84 1.812 12.050 13.800 1.00 0.00 H new ATOM 0 HB VAL A 84 2.939 11.941 15.954 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.193 9.952 16.659 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.431 9.705 16.688 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.404 9.015 15.368 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.213 11.489 15.096 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.498 10.703 13.668 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.228 12.438 13.957 1.00 0.00 H new ATOM 1235 N TYR A 85 2.036 10.349 12.034 1.00 0.00 N ATOM 1236 CA TYR A 85 2.094 9.398 10.963 1.00 0.00 C ATOM 1237 C TYR A 85 3.515 9.213 10.512 1.00 0.00 C ATOM 1238 O TYR A 85 4.366 10.072 10.763 1.00 0.00 O ATOM 1239 CB TYR A 85 1.154 9.771 9.802 1.00 0.00 C ATOM 1240 CG TYR A 85 1.351 11.154 9.202 1.00 0.00 C ATOM 1241 CD1 TYR A 85 2.236 11.364 8.155 1.00 0.00 C ATOM 1242 CD2 TYR A 85 0.623 12.244 9.669 1.00 0.00 C ATOM 1243 CE1 TYR A 85 2.389 12.616 7.594 1.00 0.00 C ATOM 1244 CE2 TYR A 85 0.777 13.498 9.111 1.00 0.00 C ATOM 1245 CZ TYR A 85 1.658 13.677 8.076 1.00 0.00 C ATOM 1246 OH TYR A 85 1.807 14.923 7.513 1.00 0.00 O ATOM 0 H TYR A 85 2.106 11.323 11.739 1.00 0.00 H new ATOM 0 HA TYR A 85 1.733 8.441 11.339 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.277 9.032 9.010 1.00 0.00 H new ATOM 0 HB3 TYR A 85 0.125 9.693 10.154 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.814 10.536 7.773 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.075 12.107 10.482 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.081 12.762 6.778 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.206 14.334 9.488 1.00 0.00 H new ATOM 0 HH TYR A 85 2.046 14.828 6.567 1.00 0.00 H new ATOM 1256 N ASP A 86 3.776 8.113 9.864 1.00 0.00 N ATOM 1257 CA ASP A 86 5.134 7.775 9.468 1.00 0.00 C ATOM 1258 C ASP A 86 5.273 7.673 7.952 1.00 0.00 C ATOM 1259 O ASP A 86 6.383 7.742 7.398 1.00 0.00 O ATOM 1260 CB ASP A 86 5.533 6.455 10.140 1.00 0.00 C ATOM 1261 CG ASP A 86 6.946 6.024 9.840 1.00 0.00 C ATOM 1262 OD1 ASP A 86 7.891 6.636 10.375 1.00 0.00 O ATOM 1263 OD2 ASP A 86 7.139 5.031 9.109 1.00 0.00 O ATOM 0 H ASP A 86 3.072 7.427 9.593 1.00 0.00 H new ATOM 0 HA ASP A 86 5.802 8.572 9.793 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.415 6.557 11.219 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.847 5.672 9.817 1.00 0.00 H new ATOM 1268 N GLU A 87 4.162 7.568 7.272 1.00 0.00 N ATOM 1269 CA GLU A 87 4.171 7.376 5.843 1.00 0.00 C ATOM 1270 C GLU A 87 3.049 8.182 5.192 1.00 0.00 C ATOM 1271 O GLU A 87 1.946 8.248 5.718 1.00 0.00 O ATOM 1272 CB GLU A 87 4.025 5.882 5.577 1.00 0.00 C ATOM 1273 CG GLU A 87 4.029 5.449 4.134 1.00 0.00 C ATOM 1274 CD GLU A 87 4.042 3.947 4.027 1.00 0.00 C ATOM 1275 OE1 GLU A 87 3.022 3.297 4.326 1.00 0.00 O ATOM 1276 OE2 GLU A 87 5.094 3.375 3.697 1.00 0.00 O ATOM 0 H GLU A 87 3.231 7.612 7.687 1.00 0.00 H new ATOM 0 HA GLU A 87 5.105 7.732 5.407 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.835 5.364 6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.093 5.545 6.031 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.149 5.847 3.628 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.902 5.862 3.628 1.00 0.00 H new ATOM 1283 N VAL A 88 3.348 8.814 4.080 1.00 0.00 N ATOM 1284 CA VAL A 88 2.378 9.602 3.328 1.00 0.00 C ATOM 1285 C VAL A 88 2.118 8.892 2.010 1.00 0.00 C ATOM 1286 O VAL A 88 3.058 8.580 1.295 1.00 0.00 O ATOM 1287 CB VAL A 88 2.930 11.025 3.045 1.00 0.00 C ATOM 1288 CG1 VAL A 88 1.940 11.854 2.255 1.00 0.00 C ATOM 1289 CG2 VAL A 88 3.276 11.724 4.336 1.00 0.00 C ATOM 0 H VAL A 88 4.278 8.800 3.662 1.00 0.00 H new ATOM 0 HA VAL A 88 1.459 9.700 3.906 1.00 0.00 H new ATOM 0 HB VAL A 88 3.834 10.916 2.446 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.358 12.844 2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.736 11.366 1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.013 11.949 2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.661 12.720 4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.383 11.808 4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.034 11.150 4.869 1.00 0.00 H new ATOM 1299 N CYS A 89 0.874 8.613 1.707 1.00 0.00 N ATOM 1300 CA CYS A 89 0.525 7.859 0.515 1.00 0.00 C ATOM 1301 C CYS A 89 -0.521 8.590 -0.340 1.00 0.00 C ATOM 1302 O CYS A 89 -1.412 9.219 0.184 1.00 0.00 O ATOM 1303 CB CYS A 89 -0.063 6.516 0.941 1.00 0.00 C ATOM 1304 SG CYS A 89 0.981 5.548 2.047 1.00 0.00 S ATOM 0 H CYS A 89 0.074 8.898 2.273 1.00 0.00 H new ATOM 0 HA CYS A 89 1.430 7.733 -0.080 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -1.020 6.694 1.431 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.267 5.925 0.048 1.00 0.00 H new ATOM 0 HG CYS A 89 0.382 4.433 2.344 1.00 0.00 H new ATOM 1310 N ILE A 90 -0.390 8.502 -1.643 1.00 0.00 N ATOM 1311 CA ILE A 90 -1.394 9.001 -2.560 1.00 0.00 C ATOM 1312 C ILE A 90 -2.107 7.824 -3.209 1.00 0.00 C ATOM 1313 O ILE A 90 -1.480 6.990 -3.884 1.00 0.00 O ATOM 1314 CB ILE A 90 -0.833 9.931 -3.707 1.00 0.00 C ATOM 1315 CG1 ILE A 90 -0.283 11.254 -3.157 1.00 0.00 C ATOM 1316 CG2 ILE A 90 -1.918 10.218 -4.765 1.00 0.00 C ATOM 1317 CD1 ILE A 90 0.238 12.204 -4.242 1.00 0.00 C ATOM 0 H ILE A 90 0.418 8.081 -2.101 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.065 9.614 -1.958 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.010 9.391 -4.175 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.068 11.757 -2.593 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.524 11.039 -2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.506 10.860 -5.543 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.252 9.280 -5.208 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.764 10.717 -4.292 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.610 13.117 -3.778 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.046 11.721 -4.791 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.571 12.450 -4.929 1.00 0.00 H new ATOM 1329 N GLN A 91 -3.371 7.733 -2.954 1.00 0.00 N ATOM 1330 CA GLN A 91 -4.239 6.820 -3.634 1.00 0.00 C ATOM 1331 C GLN A 91 -5.160 7.731 -4.400 1.00 0.00 C ATOM 1332 O GLN A 91 -5.827 8.542 -3.783 1.00 0.00 O ATOM 1333 CB GLN A 91 -5.003 5.945 -2.620 1.00 0.00 C ATOM 1334 CG GLN A 91 -6.043 5.014 -3.229 1.00 0.00 C ATOM 1335 CD GLN A 91 -5.465 3.982 -4.197 1.00 0.00 C ATOM 1336 OE1 GLN A 91 -4.302 3.464 -3.919 1.00 0.00 O flip ATOM 1337 NE2 GLN A 91 -6.108 3.613 -5.169 1.00 0.00 N flip ATOM 0 H GLN A 91 -3.842 8.303 -2.252 1.00 0.00 H new ATOM 0 HA GLN A 91 -3.717 6.117 -4.283 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -4.282 5.346 -2.064 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -5.498 6.597 -1.900 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -6.563 4.492 -2.426 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -6.788 5.612 -3.754 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -7.016 4.032 -5.368 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -5.736 2.886 -5.781 1.00 0.00 H new ATOM 1346 N ALA A 92 -5.199 7.599 -5.717 1.00 0.00 N ATOM 1347 CA ALA A 92 -5.814 8.612 -6.593 1.00 0.00 C ATOM 1348 C ALA A 92 -7.214 9.043 -6.147 1.00 0.00 C ATOM 1349 O ALA A 92 -8.204 8.329 -6.333 1.00 0.00 O ATOM 1350 CB ALA A 92 -5.835 8.117 -8.027 1.00 0.00 C ATOM 0 H ALA A 92 -4.812 6.798 -6.215 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.192 9.504 -6.521 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.291 8.873 -8.666 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.815 7.927 -8.361 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.414 7.195 -8.085 1.00 0.00 H new ATOM 1356 N GLY A 93 -7.266 10.236 -5.559 1.00 0.00 N ATOM 1357 CA GLY A 93 -8.486 10.775 -5.030 1.00 0.00 C ATOM 1358 C GLY A 93 -8.280 11.325 -3.625 1.00 0.00 C ATOM 1359 O GLY A 93 -8.838 12.354 -3.261 1.00 0.00 O ATOM 0 H GLY A 93 -6.456 10.845 -5.443 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.851 11.567 -5.684 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.252 9.999 -5.011 1.00 0.00 H new ATOM 1363 N HIS A 94 -7.444 10.663 -2.847 1.00 0.00 N ATOM 1364 CA HIS A 94 -7.180 11.059 -1.458 1.00 0.00 C ATOM 1365 C HIS A 94 -5.757 10.776 -1.062 1.00 0.00 C ATOM 1366 O HIS A 94 -5.131 9.846 -1.564 1.00 0.00 O ATOM 1367 CB HIS A 94 -8.138 10.359 -0.463 1.00 0.00 C ATOM 1368 CG HIS A 94 -9.484 10.999 -0.350 1.00 0.00 C ATOM 1369 ND1 HIS A 94 -10.542 10.716 -1.180 1.00 0.00 N ATOM 1370 CD2 HIS A 94 -9.924 11.960 0.487 1.00 0.00 C ATOM 1371 CE1 HIS A 94 -11.561 11.475 -0.862 1.00 0.00 C ATOM 1372 NE2 HIS A 94 -11.216 12.247 0.145 1.00 0.00 N ATOM 0 H HIS A 94 -6.926 9.838 -3.149 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.354 12.134 -1.411 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.267 9.321 -0.770 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.672 10.344 0.522 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -10.535 10.022 -1.928 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.358 12.420 1.284 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.526 11.468 -1.347 1.00 0.00 H new ATOM 1381 N ILE A 95 -5.244 11.573 -0.184 1.00 0.00 N ATOM 1382 CA ILE A 95 -3.940 11.332 0.334 1.00 0.00 C ATOM 1383 C ILE A 95 -4.148 10.620 1.665 1.00 0.00 C ATOM 1384 O ILE A 95 -5.077 10.937 2.393 1.00 0.00 O ATOM 1385 CB ILE A 95 -3.115 12.660 0.472 1.00 0.00 C ATOM 1386 CG1 ILE A 95 -1.649 12.384 0.822 1.00 0.00 C ATOM 1387 CG2 ILE A 95 -3.732 13.592 1.497 1.00 0.00 C ATOM 1388 CD1 ILE A 95 -0.783 13.631 0.827 1.00 0.00 C ATOM 0 H ILE A 95 -5.710 12.399 0.190 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.346 10.714 -0.340 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.144 13.151 -0.501 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.600 11.913 1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.241 11.671 0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.136 14.502 1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -4.747 13.846 1.193 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.757 13.099 2.469 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.242 13.361 1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.801 14.091 -0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.167 14.337 1.563 1.00 0.00 H new ATOM 1400 N TRP A 96 -3.369 9.636 1.931 1.00 0.00 N ATOM 1401 CA TRP A 96 -3.557 8.826 3.098 1.00 0.00 C ATOM 1402 C TRP A 96 -2.344 8.885 3.969 1.00 0.00 C ATOM 1403 O TRP A 96 -1.210 8.874 3.474 1.00 0.00 O ATOM 1404 CB TRP A 96 -3.838 7.368 2.698 1.00 0.00 C ATOM 1405 CG TRP A 96 -5.071 7.200 1.862 1.00 0.00 C ATOM 1406 CD1 TRP A 96 -5.188 7.414 0.526 1.00 0.00 C ATOM 1407 CD2 TRP A 96 -6.354 6.781 2.310 1.00 0.00 C ATOM 1408 NE1 TRP A 96 -6.473 7.172 0.120 1.00 0.00 N ATOM 1409 CE2 TRP A 96 -7.206 6.779 1.192 1.00 0.00 C ATOM 1410 CE3 TRP A 96 -6.866 6.414 3.545 1.00 0.00 C ATOM 1411 CZ2 TRP A 96 -8.542 6.423 1.279 1.00 0.00 C ATOM 1412 CZ3 TRP A 96 -8.188 6.060 3.630 1.00 0.00 C ATOM 1413 CH2 TRP A 96 -9.016 6.067 2.505 1.00 0.00 C ATOM 0 H TRP A 96 -2.578 9.361 1.349 1.00 0.00 H new ATOM 0 HA TRP A 96 -4.413 9.213 3.652 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -2.981 6.980 2.148 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -3.937 6.765 3.601 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -4.384 7.729 -0.122 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -6.822 7.271 -0.833 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -6.236 6.407 4.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -9.182 6.428 0.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.597 5.770 4.586 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -10.053 5.784 2.610 1.00 0.00 H new ATOM 1424 N ILE A 97 -2.559 8.985 5.247 1.00 0.00 N ATOM 1425 CA ILE A 97 -1.461 8.947 6.167 1.00 0.00 C ATOM 1426 C ILE A 97 -1.377 7.565 6.785 1.00 0.00 C ATOM 1427 O ILE A 97 -2.386 7.010 7.248 1.00 0.00 O ATOM 1428 CB ILE A 97 -1.521 10.037 7.280 1.00 0.00 C ATOM 1429 CG1 ILE A 97 -2.771 9.876 8.160 1.00 0.00 C ATOM 1430 CG2 ILE A 97 -1.473 11.429 6.653 1.00 0.00 C ATOM 1431 CD1 ILE A 97 -2.785 10.753 9.398 1.00 0.00 C ATOM 0 H ILE A 97 -3.479 9.093 5.675 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.562 9.170 5.592 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.652 9.911 7.925 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.653 10.101 7.561 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.852 8.833 8.468 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.515 12.184 7.438 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.546 11.543 6.090 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.323 11.555 5.982 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.702 10.575 9.960 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -1.924 10.514 10.023 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.739 11.801 9.102 1.00 0.00 H new ATOM 1443 N GLY A 98 -0.210 7.001 6.736 1.00 0.00 N ATOM 1444 CA GLY A 98 0.017 5.714 7.290 1.00 0.00 C ATOM 1445 C GLY A 98 0.618 5.823 8.639 1.00 0.00 C ATOM 1446 O GLY A 98 1.700 6.422 8.807 1.00 0.00 O ATOM 0 H GLY A 98 0.612 7.427 6.307 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.924 5.167 7.349 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.677 5.143 6.637 1.00 0.00 H new ATOM 1450 N TYR A 99 -0.060 5.303 9.605 1.00 0.00 N ATOM 1451 CA TYR A 99 0.413 5.342 10.948 1.00 0.00 C ATOM 1452 C TYR A 99 0.158 4.023 11.611 1.00 0.00 C ATOM 1453 O TYR A 99 -0.519 3.145 11.046 1.00 0.00 O ATOM 1454 CB TYR A 99 -0.240 6.496 11.742 1.00 0.00 C ATOM 1455 CG TYR A 99 -1.755 6.429 11.903 1.00 0.00 C ATOM 1456 CD1 TYR A 99 -2.599 7.011 10.968 1.00 0.00 C ATOM 1457 CD2 TYR A 99 -2.332 5.812 13.012 1.00 0.00 C ATOM 1458 CE1 TYR A 99 -3.969 6.978 11.130 1.00 0.00 C ATOM 1459 CE2 TYR A 99 -3.699 5.782 13.181 1.00 0.00 C ATOM 1460 CZ TYR A 99 -4.514 6.365 12.239 1.00 0.00 C ATOM 1461 OH TYR A 99 -5.882 6.345 12.412 1.00 0.00 O ATOM 0 H TYR A 99 -0.960 4.838 9.486 1.00 0.00 H new ATOM 0 HA TYR A 99 1.487 5.529 10.932 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.209 6.526 12.735 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.011 7.436 11.250 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.177 7.497 10.101 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.696 5.349 13.752 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.613 7.431 10.390 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.128 5.303 14.049 1.00 0.00 H new ATOM 0 HH TYR A 99 -6.100 5.873 13.243 1.00 0.00 H new ATOM 1471 N ASN A 100 0.682 3.869 12.779 1.00 0.00 N ATOM 1472 CA ASN A 100 0.481 2.671 13.526 1.00 0.00 C ATOM 1473 C ASN A 100 -0.421 3.001 14.677 1.00 0.00 C ATOM 1474 O ASN A 100 -0.239 4.028 15.344 1.00 0.00 O ATOM 1475 CB ASN A 100 1.806 2.085 14.028 1.00 0.00 C ATOM 1476 CG ASN A 100 2.778 1.702 12.914 1.00 0.00 C ATOM 1477 OD1 ASN A 100 2.384 1.349 11.793 1.00 0.00 O ATOM 1478 ND2 ASN A 100 4.047 1.742 13.213 1.00 0.00 N ATOM 0 H ASN A 100 1.261 4.568 13.244 1.00 0.00 H new ATOM 0 HA ASN A 100 0.030 1.912 12.887 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.288 2.811 14.683 1.00 0.00 H new ATOM 0 HB3 ASN A 100 1.595 1.202 14.632 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.744 1.479 12.516 1.00 0.00 H new ATOM 0 HD22 ASN A 100 4.343 2.037 14.144 1.00 0.00 H new ATOM 1485 N ALA A 101 -1.424 2.204 14.874 1.00 0.00 N ATOM 1486 CA ALA A 101 -2.347 2.437 15.945 1.00 0.00 C ATOM 1487 C ALA A 101 -2.003 1.573 17.149 1.00 0.00 C ATOM 1488 O ALA A 101 -1.170 0.673 17.046 1.00 0.00 O ATOM 1489 CB ALA A 101 -3.765 2.211 15.474 1.00 0.00 C ATOM 0 H ALA A 101 -1.627 1.382 14.305 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.267 3.477 16.261 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.455 2.392 16.298 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.990 2.895 14.656 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.874 1.183 15.128 1.00 0.00 H new ATOM 1495 N TYR A 102 -2.672 1.839 18.261 1.00 0.00 N ATOM 1496 CA TYR A 102 -2.464 1.186 19.579 1.00 0.00 C ATOM 1497 C TYR A 102 -2.447 -0.365 19.561 1.00 0.00 C ATOM 1498 O TYR A 102 -1.877 -0.992 20.452 1.00 0.00 O ATOM 1499 CB TYR A 102 -3.520 1.698 20.579 1.00 0.00 C ATOM 1500 CG TYR A 102 -4.955 1.621 20.068 1.00 0.00 C ATOM 1501 CD1 TYR A 102 -5.712 0.467 20.203 1.00 0.00 C ATOM 1502 CD2 TYR A 102 -5.543 2.713 19.446 1.00 0.00 C ATOM 1503 CE1 TYR A 102 -7.006 0.405 19.731 1.00 0.00 C ATOM 1504 CE2 TYR A 102 -6.834 2.659 18.975 1.00 0.00 C ATOM 1505 CZ TYR A 102 -7.560 1.505 19.119 1.00 0.00 C ATOM 1506 OH TYR A 102 -8.848 1.446 18.636 1.00 0.00 O ATOM 0 H TYR A 102 -3.410 2.543 18.288 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.458 1.468 19.888 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -3.443 1.120 21.500 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.292 2.733 20.833 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -5.281 -0.398 20.686 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -4.975 3.624 19.329 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -7.581 -0.502 19.841 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -7.273 3.521 18.494 1.00 0.00 H new ATOM 0 HH TYR A 102 -9.087 2.308 18.234 1.00 0.00 H new ATOM 1516 N ASN A 103 -3.066 -0.979 18.577 1.00 0.00 N ATOM 1517 CA ASN A 103 -3.082 -2.446 18.502 1.00 0.00 C ATOM 1518 C ASN A 103 -1.832 -2.962 17.785 1.00 0.00 C ATOM 1519 O ASN A 103 -1.518 -4.152 17.824 1.00 0.00 O ATOM 1520 CB ASN A 103 -4.367 -2.919 17.793 1.00 0.00 C ATOM 1521 CG ASN A 103 -4.591 -4.427 17.812 1.00 0.00 C ATOM 1522 OD1 ASN A 103 -5.153 -4.964 18.780 1.00 0.00 O ATOM 1523 ND2 ASN A 103 -4.211 -5.107 16.754 1.00 0.00 N ATOM 0 H ASN A 103 -3.562 -0.505 17.822 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.075 -2.855 19.512 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.223 -2.433 18.261 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.337 -2.583 16.756 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.375 -6.113 16.708 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.752 -4.629 15.978 1.00 0.00 H new ATOM 1530 N GLY A 104 -1.090 -2.042 17.195 1.00 0.00 N ATOM 1531 CA GLY A 104 0.059 -2.393 16.380 1.00 0.00 C ATOM 1532 C GLY A 104 -0.391 -2.600 14.965 1.00 0.00 C ATOM 1533 O GLY A 104 0.302 -3.180 14.138 1.00 0.00 O ATOM 0 H GLY A 104 -1.264 -1.040 17.266 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.808 -1.602 16.425 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.529 -3.299 16.762 1.00 0.00 H new ATOM 1537 N ASN A 105 -1.563 -2.096 14.707 1.00 0.00 N ATOM 1538 CA ASN A 105 -2.235 -2.250 13.450 1.00 0.00 C ATOM 1539 C ASN A 105 -1.929 -1.059 12.567 1.00 0.00 C ATOM 1540 O ASN A 105 -1.911 0.092 13.043 1.00 0.00 O ATOM 1541 CB ASN A 105 -3.744 -2.380 13.722 1.00 0.00 C ATOM 1542 CG ASN A 105 -4.608 -2.548 12.483 1.00 0.00 C ATOM 1543 OD1 ASN A 105 -4.174 -3.061 11.448 1.00 0.00 O ATOM 1544 ND2 ASN A 105 -5.852 -2.161 12.597 1.00 0.00 N ATOM 0 H ASN A 105 -2.093 -1.550 15.386 1.00 0.00 H new ATOM 0 HA ASN A 105 -1.893 -3.145 12.930 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.907 -3.234 14.379 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.078 -1.494 14.262 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -6.497 -2.280 11.816 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.178 -1.741 13.467 1.00 0.00 H new ATOM 1551 N ARG A 106 -1.646 -1.335 11.322 1.00 0.00 N ATOM 1552 CA ARG A 106 -1.339 -0.319 10.344 1.00 0.00 C ATOM 1553 C ARG A 106 -2.645 0.319 9.882 1.00 0.00 C ATOM 1554 O ARG A 106 -3.482 -0.342 9.268 1.00 0.00 O ATOM 1555 CB ARG A 106 -0.608 -0.974 9.167 1.00 0.00 C ATOM 1556 CG ARG A 106 -0.040 -0.018 8.138 1.00 0.00 C ATOM 1557 CD ARG A 106 1.008 0.883 8.750 1.00 0.00 C ATOM 1558 NE ARG A 106 1.724 1.670 7.746 1.00 0.00 N ATOM 1559 CZ ARG A 106 2.874 2.305 7.977 1.00 0.00 C ATOM 1560 NH1 ARG A 106 3.389 2.340 9.217 1.00 0.00 N ATOM 1561 NH2 ARG A 106 3.495 2.922 6.992 1.00 0.00 N ATOM 0 H ARG A 106 -1.621 -2.285 10.951 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.698 0.453 10.770 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.206 -1.582 9.561 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.298 -1.652 8.665 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.398 -0.583 7.315 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.843 0.587 7.717 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.532 1.556 9.463 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.721 0.278 9.309 1.00 0.00 H new ATOM 0 HE ARG A 106 1.319 1.737 6.812 1.00 0.00 H new ATOM 0 HH11 ARG A 106 2.900 1.880 9.985 1.00 0.00 H new ATOM 0 HH12 ARG A 106 4.269 2.826 9.390 1.00 0.00 H new ATOM 0 HH21 ARG A 106 3.096 2.914 6.053 1.00 0.00 H new ATOM 0 HH22 ARG A 106 4.374 3.408 7.168 1.00 0.00 H new ATOM 1575 N VAL A 107 -2.834 1.570 10.192 1.00 0.00 N ATOM 1576 CA VAL A 107 -4.080 2.239 9.874 1.00 0.00 C ATOM 1577 C VAL A 107 -3.812 3.449 8.973 1.00 0.00 C ATOM 1578 O VAL A 107 -2.778 4.118 9.111 1.00 0.00 O ATOM 1579 CB VAL A 107 -4.834 2.676 11.174 1.00 0.00 C ATOM 1580 CG1 VAL A 107 -6.172 3.308 10.852 1.00 0.00 C ATOM 1581 CG2 VAL A 107 -5.039 1.491 12.108 1.00 0.00 C ATOM 0 H VAL A 107 -2.145 2.155 10.665 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.719 1.536 9.340 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.212 3.419 11.673 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.669 3.600 11.777 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -6.018 4.189 10.230 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -6.794 2.590 10.317 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.565 1.821 13.004 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.628 0.726 11.602 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.071 1.076 12.388 1.00 0.00 H new ATOM 1591 N TYR A 108 -4.717 3.692 8.040 1.00 0.00 N ATOM 1592 CA TYR A 108 -4.603 4.785 7.097 1.00 0.00 C ATOM 1593 C TYR A 108 -5.787 5.725 7.210 1.00 0.00 C ATOM 1594 O TYR A 108 -6.951 5.293 7.169 1.00 0.00 O ATOM 1595 CB TYR A 108 -4.458 4.254 5.653 1.00 0.00 C ATOM 1596 CG TYR A 108 -3.162 3.518 5.439 1.00 0.00 C ATOM 1597 CD1 TYR A 108 -3.045 2.170 5.738 1.00 0.00 C ATOM 1598 CD2 TYR A 108 -2.038 4.189 4.991 1.00 0.00 C ATOM 1599 CE1 TYR A 108 -1.844 1.519 5.609 1.00 0.00 C ATOM 1600 CE2 TYR A 108 -0.835 3.538 4.842 1.00 0.00 C ATOM 1601 CZ TYR A 108 -0.742 2.208 5.160 1.00 0.00 C ATOM 1602 OH TYR A 108 0.470 1.570 5.068 1.00 0.00 O ATOM 0 H TYR A 108 -5.559 3.129 7.917 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.702 5.348 7.342 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.292 3.589 5.428 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.518 5.088 4.954 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.912 1.623 6.078 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.106 5.241 4.754 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.765 0.471 5.859 1.00 0.00 H new ATOM 0 HE2 TYR A 108 0.030 4.071 4.477 1.00 0.00 H new ATOM 0 HH TYR A 108 1.165 2.220 4.833 1.00 0.00 H new ATOM 1612 N CYS A 109 -5.498 6.985 7.376 1.00 0.00 N ATOM 1613 CA CYS A 109 -6.518 8.005 7.478 1.00 0.00 C ATOM 1614 C CYS A 109 -6.572 8.780 6.159 1.00 0.00 C ATOM 1615 O CYS A 109 -5.520 9.145 5.619 1.00 0.00 O ATOM 1616 CB CYS A 109 -6.226 8.937 8.672 1.00 0.00 C ATOM 1617 SG CYS A 109 -7.438 10.253 8.950 1.00 0.00 S ATOM 0 H CYS A 109 -4.545 7.341 7.445 1.00 0.00 H new ATOM 0 HA CYS A 109 -7.491 7.547 7.657 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -6.160 8.331 9.576 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -5.248 9.394 8.523 1.00 0.00 H new ATOM 0 HG CYS A 109 -7.080 10.962 9.979 1.00 0.00 H new ATOM 1623 N PRO A 110 -7.796 9.011 5.612 1.00 0.00 N ATOM 1624 CA PRO A 110 -7.992 9.677 4.304 1.00 0.00 C ATOM 1625 C PRO A 110 -7.689 11.171 4.310 1.00 0.00 C ATOM 1626 O PRO A 110 -7.694 11.783 3.257 1.00 0.00 O ATOM 1627 CB PRO A 110 -9.473 9.442 4.002 1.00 0.00 C ATOM 1628 CG PRO A 110 -10.110 9.279 5.334 1.00 0.00 C ATOM 1629 CD PRO A 110 -9.087 8.602 6.208 1.00 0.00 C ATOM 0 HA PRO A 110 -7.306 9.271 3.561 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.904 10.282 3.457 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.615 8.555 3.384 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -10.398 10.245 5.749 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -11.018 8.680 5.261 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -9.170 8.925 7.246 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -9.207 7.519 6.200 1.00 0.00 H new ATOM 1637 N VAL A 111 -7.509 11.727 5.530 1.00 0.00 N ATOM 1638 CA VAL A 111 -7.092 13.135 5.851 1.00 0.00 C ATOM 1639 C VAL A 111 -7.655 14.301 4.979 1.00 0.00 C ATOM 1640 O VAL A 111 -8.328 15.202 5.503 1.00 0.00 O ATOM 1641 CB VAL A 111 -5.559 13.278 6.079 1.00 0.00 C ATOM 1642 CG1 VAL A 111 -5.140 12.447 7.258 1.00 0.00 C ATOM 1643 CG2 VAL A 111 -4.754 12.872 4.863 1.00 0.00 C ATOM 0 H VAL A 111 -7.657 11.180 6.378 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.616 13.283 6.795 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.358 14.332 6.269 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.066 12.551 7.413 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.670 12.786 8.148 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -5.380 11.401 7.069 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.691 12.990 5.074 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.962 11.830 4.620 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.028 13.503 4.018 1.00 0.00 H new ATOM 1653 N ARG A 112 -7.356 14.303 3.697 1.00 0.00 N ATOM 1654 CA ARG A 112 -7.808 15.318 2.782 1.00 0.00 C ATOM 1655 C ARG A 112 -7.848 14.764 1.372 1.00 0.00 C ATOM 1656 O ARG A 112 -7.091 13.843 1.024 1.00 0.00 O ATOM 1657 CB ARG A 112 -6.922 16.576 2.834 1.00 0.00 C ATOM 1658 CG ARG A 112 -5.464 16.369 2.503 1.00 0.00 C ATOM 1659 CD ARG A 112 -4.720 17.687 2.529 1.00 0.00 C ATOM 1660 NE ARG A 112 -3.262 17.510 2.457 1.00 0.00 N ATOM 1661 CZ ARG A 112 -2.376 18.516 2.491 1.00 0.00 C ATOM 1662 NH1 ARG A 112 -2.800 19.771 2.477 1.00 0.00 N ATOM 1663 NH2 ARG A 112 -1.074 18.262 2.550 1.00 0.00 N ATOM 0 H ARG A 112 -6.781 13.584 3.258 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.812 15.613 3.086 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -7.330 17.313 2.143 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -6.990 17.004 3.834 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -5.017 15.679 3.219 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -5.370 15.912 1.518 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -5.050 18.304 1.693 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -4.973 18.226 3.442 1.00 0.00 H new ATOM 0 HE ARG A 112 -2.901 16.560 2.376 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -3.799 19.971 2.440 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.127 20.537 2.503 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.743 17.297 2.570 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -0.405 19.031 2.576 1.00 0.00 H new ATOM 1677 N THR A 113 -8.741 15.286 0.584 1.00 0.00 N ATOM 1678 CA THR A 113 -8.858 14.911 -0.798 1.00 0.00 C ATOM 1679 C THR A 113 -7.632 15.424 -1.567 1.00 0.00 C ATOM 1680 O THR A 113 -7.176 16.551 -1.324 1.00 0.00 O ATOM 1681 CB THR A 113 -10.163 15.501 -1.368 1.00 0.00 C ATOM 1682 OG1 THR A 113 -11.272 15.024 -0.568 1.00 0.00 O ATOM 1683 CG2 THR A 113 -10.381 15.097 -2.820 1.00 0.00 C ATOM 0 H THR A 113 -9.415 15.990 0.883 1.00 0.00 H new ATOM 0 HA THR A 113 -8.895 13.826 -0.899 1.00 0.00 H new ATOM 0 HB THR A 113 -10.094 16.588 -1.333 1.00 0.00 H new ATOM 0 HG1 THR A 113 -11.131 14.081 -0.343 1.00 0.00 H new ATOM 0 HG21 THR A 113 -11.311 15.534 -3.183 1.00 0.00 H new ATOM 0 HG22 THR A 113 -9.550 15.457 -3.427 1.00 0.00 H new ATOM 0 HG23 THR A 113 -10.438 14.011 -2.891 1.00 0.00 H new ATOM 1691 N CYS A 114 -7.072 14.582 -2.417 1.00 0.00 N ATOM 1692 CA CYS A 114 -5.910 14.921 -3.214 1.00 0.00 C ATOM 1693 C CYS A 114 -5.905 14.149 -4.515 1.00 0.00 C ATOM 1694 O CYS A 114 -5.757 12.919 -4.527 1.00 0.00 O ATOM 1695 CB CYS A 114 -4.590 14.693 -2.455 1.00 0.00 C ATOM 1696 SG CYS A 114 -4.295 15.854 -1.098 1.00 0.00 S ATOM 0 H CYS A 114 -7.416 13.635 -2.574 1.00 0.00 H new ATOM 0 HA CYS A 114 -5.980 15.987 -3.432 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -4.585 13.679 -2.056 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -3.763 14.761 -3.161 1.00 0.00 H new ATOM 0 HG CYS A 114 -5.401 16.473 -0.808 1.00 0.00 H new ATOM 1702 N GLN A 115 -6.109 14.854 -5.587 1.00 0.00 N ATOM 1703 CA GLN A 115 -6.061 14.279 -6.894 1.00 0.00 C ATOM 1704 C GLN A 115 -4.695 14.586 -7.460 1.00 0.00 C ATOM 1705 O GLN A 115 -4.010 15.463 -6.939 1.00 0.00 O ATOM 1706 CB GLN A 115 -7.170 14.846 -7.825 1.00 0.00 C ATOM 1707 CG GLN A 115 -8.621 14.559 -7.390 1.00 0.00 C ATOM 1708 CD GLN A 115 -9.222 15.568 -6.400 1.00 0.00 C ATOM 1709 OE1 GLN A 115 -8.534 16.205 -5.609 1.00 0.00 O ATOM 1710 NE2 GLN A 115 -10.523 15.696 -6.423 1.00 0.00 N ATOM 0 H GLN A 115 -6.315 15.853 -5.577 1.00 0.00 H new ATOM 0 HA GLN A 115 -6.236 13.205 -6.829 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -7.039 15.926 -7.899 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -7.023 14.438 -8.825 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -9.250 14.529 -8.280 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -8.658 13.567 -6.940 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -11.077 15.157 -7.089 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -10.984 16.335 -5.775 1.00 0.00 H new ATOM 1719 N GLY A 116 -4.268 13.872 -8.455 1.00 0.00 N ATOM 1720 CA GLY A 116 -2.992 14.190 -9.038 1.00 0.00 C ATOM 1721 C GLY A 116 -2.078 13.021 -9.139 1.00 0.00 C ATOM 1722 O GLY A 116 -2.493 11.860 -8.967 1.00 0.00 O ATOM 0 H GLY A 116 -4.764 13.086 -8.875 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -3.150 14.605 -10.034 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -2.512 14.966 -8.442 1.00 0.00 H new ATOM 1726 N VAL A 117 -0.837 13.316 -9.411 1.00 0.00 N ATOM 1727 CA VAL A 117 0.209 12.338 -9.554 1.00 0.00 C ATOM 1728 C VAL A 117 1.439 12.882 -8.854 1.00 0.00 C ATOM 1729 O VAL A 117 1.584 14.095 -8.746 1.00 0.00 O ATOM 1730 CB VAL A 117 0.552 12.016 -11.056 1.00 0.00 C ATOM 1731 CG1 VAL A 117 -0.610 11.331 -11.763 1.00 0.00 C ATOM 1732 CG2 VAL A 117 0.962 13.274 -11.819 1.00 0.00 C ATOM 0 H VAL A 117 -0.514 14.274 -9.544 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.131 11.401 -9.112 1.00 0.00 H new ATOM 0 HB VAL A 117 1.398 11.329 -11.045 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.336 11.125 -12.798 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -0.844 10.395 -11.256 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -1.484 11.983 -11.742 1.00 0.00 H new ATOM 0 HG21 VAL A 117 1.192 13.014 -12.852 1.00 0.00 H new ATOM 0 HG22 VAL A 117 0.144 13.994 -11.799 1.00 0.00 H new ATOM 0 HG23 VAL A 117 1.843 13.713 -11.351 1.00 0.00 H new ATOM 1742 N PRO A 118 2.313 12.022 -8.333 1.00 0.00 N ATOM 1743 CA PRO A 118 3.521 12.461 -7.631 1.00 0.00 C ATOM 1744 C PRO A 118 4.409 13.386 -8.483 1.00 0.00 C ATOM 1745 O PRO A 118 4.627 13.132 -9.677 1.00 0.00 O ATOM 1746 CB PRO A 118 4.258 11.157 -7.343 1.00 0.00 C ATOM 1747 CG PRO A 118 3.193 10.136 -7.319 1.00 0.00 C ATOM 1748 CD PRO A 118 2.208 10.553 -8.363 1.00 0.00 C ATOM 0 HA PRO A 118 3.274 13.043 -6.743 1.00 0.00 H new ATOM 0 HB2 PRO A 118 5.000 10.941 -8.112 1.00 0.00 H new ATOM 0 HB3 PRO A 118 4.789 11.201 -6.392 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.595 9.146 -7.534 1.00 0.00 H new ATOM 0 HG3 PRO A 118 2.723 10.083 -6.337 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.460 10.148 -9.343 1.00 0.00 H new ATOM 0 HD3 PRO A 118 1.199 10.214 -8.128 1.00 0.00 H new ATOM 1756 N PRO A 119 4.938 14.472 -7.886 1.00 0.00 N ATOM 1757 CA PRO A 119 4.682 14.851 -6.491 1.00 0.00 C ATOM 1758 C PRO A 119 3.493 15.819 -6.337 1.00 0.00 C ATOM 1759 O PRO A 119 2.981 16.021 -5.215 1.00 0.00 O ATOM 1760 CB PRO A 119 5.992 15.578 -6.093 1.00 0.00 C ATOM 1761 CG PRO A 119 6.831 15.643 -7.343 1.00 0.00 C ATOM 1762 CD PRO A 119 5.904 15.378 -8.493 1.00 0.00 C ATOM 0 HA PRO A 119 4.426 13.986 -5.879 1.00 0.00 H new ATOM 0 HB2 PRO A 119 5.783 16.578 -5.712 1.00 0.00 H new ATOM 0 HB3 PRO A 119 6.512 15.038 -5.302 1.00 0.00 H new ATOM 0 HG2 PRO A 119 7.303 16.620 -7.443 1.00 0.00 H new ATOM 0 HG3 PRO A 119 7.631 14.904 -7.312 1.00 0.00 H new ATOM 0 HD2 PRO A 119 5.435 16.291 -8.861 1.00 0.00 H new ATOM 0 HD3 PRO A 119 6.419 14.922 -9.338 1.00 0.00 H new ATOM 1770 N ASN A 120 3.026 16.361 -7.460 1.00 0.00 N ATOM 1771 CA ASN A 120 2.001 17.408 -7.457 1.00 0.00 C ATOM 1772 C ASN A 120 0.614 16.853 -7.166 1.00 0.00 C ATOM 1773 O ASN A 120 -0.057 16.264 -8.028 1.00 0.00 O ATOM 1774 CB ASN A 120 2.000 18.174 -8.789 1.00 0.00 C ATOM 1775 CG ASN A 120 0.924 19.260 -8.875 1.00 0.00 C ATOM 1776 OD1 ASN A 120 0.531 19.864 -7.873 1.00 0.00 O ATOM 1777 ND2 ASN A 120 0.455 19.519 -10.070 1.00 0.00 N ATOM 0 H ASN A 120 3.343 16.091 -8.391 1.00 0.00 H new ATOM 0 HA ASN A 120 2.253 18.098 -6.652 1.00 0.00 H new ATOM 0 HB2 ASN A 120 2.978 18.632 -8.935 1.00 0.00 H new ATOM 0 HB3 ASN A 120 1.855 17.466 -9.605 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -0.257 20.239 -10.193 1.00 0.00 H new ATOM 0 HD22 ASN A 120 0.802 19.001 -10.877 1.00 0.00 H new ATOM 1784 N HIS A 121 0.216 17.034 -5.952 1.00 0.00 N ATOM 1785 CA HIS A 121 -1.076 16.634 -5.477 1.00 0.00 C ATOM 1786 C HIS A 121 -1.976 17.840 -5.306 1.00 0.00 C ATOM 1787 O HIS A 121 -1.563 18.846 -4.728 1.00 0.00 O ATOM 1788 CB HIS A 121 -0.971 15.785 -4.192 1.00 0.00 C ATOM 1789 CG HIS A 121 -0.152 16.388 -3.077 1.00 0.00 C ATOM 1790 ND1 HIS A 121 1.222 16.269 -3.008 1.00 0.00 N ATOM 1791 CD2 HIS A 121 -0.518 17.087 -1.975 1.00 0.00 C ATOM 1792 CE1 HIS A 121 1.658 16.856 -1.919 1.00 0.00 C ATOM 1793 NE2 HIS A 121 0.629 17.363 -1.274 1.00 0.00 N ATOM 0 H HIS A 121 0.794 17.477 -5.238 1.00 0.00 H new ATOM 0 HA HIS A 121 -1.535 15.991 -6.228 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -1.978 15.597 -3.819 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -0.542 14.817 -4.451 1.00 0.00 H new ATOM 0 HD1 HIS A 121 1.807 15.797 -3.697 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -1.523 17.373 -1.700 1.00 0.00 H new ATOM 0 HE1 HIS A 121 2.689 16.914 -1.604 1.00 0.00 H new ATOM 1802 N ILE A 122 -3.171 17.733 -5.805 1.00 0.00 N ATOM 1803 CA ILE A 122 -4.168 18.778 -5.725 1.00 0.00 C ATOM 1804 C ILE A 122 -5.041 18.517 -4.499 1.00 0.00 C ATOM 1805 O ILE A 122 -5.836 17.584 -4.507 1.00 0.00 O ATOM 1806 CB ILE A 122 -5.095 18.825 -7.011 1.00 0.00 C ATOM 1807 CG1 ILE A 122 -4.316 19.160 -8.305 1.00 0.00 C ATOM 1808 CG2 ILE A 122 -6.233 19.824 -6.836 1.00 0.00 C ATOM 1809 CD1 ILE A 122 -3.406 18.068 -8.850 1.00 0.00 C ATOM 0 H ILE A 122 -3.496 16.898 -6.293 1.00 0.00 H new ATOM 0 HA ILE A 122 -3.651 19.735 -5.655 1.00 0.00 H new ATOM 0 HB ILE A 122 -5.503 17.820 -7.118 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -5.037 19.422 -9.079 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.711 20.048 -8.119 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -6.851 19.833 -7.734 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.842 19.535 -5.980 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -5.821 20.819 -6.669 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -2.916 18.422 -9.757 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -2.652 17.817 -8.104 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -3.998 17.182 -9.079 1.00 0.00 H new ATOM 1821 N PRO A 123 -4.874 19.283 -3.421 1.00 0.00 N ATOM 1822 CA PRO A 123 -5.652 19.091 -2.229 1.00 0.00 C ATOM 1823 C PRO A 123 -7.006 19.800 -2.284 1.00 0.00 C ATOM 1824 O PRO A 123 -7.148 20.884 -2.868 1.00 0.00 O ATOM 1825 CB PRO A 123 -4.771 19.674 -1.122 1.00 0.00 C ATOM 1826 CG PRO A 123 -3.885 20.676 -1.796 1.00 0.00 C ATOM 1827 CD PRO A 123 -3.921 20.394 -3.282 1.00 0.00 C ATOM 0 HA PRO A 123 -5.901 18.041 -2.076 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -5.376 20.145 -0.347 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -4.183 18.894 -0.638 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -4.228 21.690 -1.590 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -2.866 20.602 -1.417 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -4.246 21.269 -3.845 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -2.935 20.121 -3.659 1.00 0.00 H new ATOM 1835 N GLY A 124 -7.988 19.162 -1.726 1.00 0.00 N ATOM 1836 CA GLY A 124 -9.289 19.738 -1.629 1.00 0.00 C ATOM 1837 C GLY A 124 -9.551 20.198 -0.225 1.00 0.00 C ATOM 1838 O GLY A 124 -8.868 21.098 0.280 1.00 0.00 O ATOM 0 H GLY A 124 -7.908 18.227 -1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -9.374 20.580 -2.317 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -10.041 19.007 -1.926 1.00 0.00 H new ATOM 1842 N VAL A 125 -10.498 19.577 0.420 1.00 0.00 N ATOM 1843 CA VAL A 125 -10.833 19.911 1.784 1.00 0.00 C ATOM 1844 C VAL A 125 -10.081 18.990 2.728 1.00 0.00 C ATOM 1845 O VAL A 125 -10.085 17.757 2.544 1.00 0.00 O ATOM 1846 CB VAL A 125 -12.361 19.787 2.046 1.00 0.00 C ATOM 1847 CG1 VAL A 125 -12.707 20.177 3.479 1.00 0.00 C ATOM 1848 CG2 VAL A 125 -13.147 20.640 1.061 1.00 0.00 C ATOM 0 H VAL A 125 -11.061 18.826 0.020 1.00 0.00 H new ATOM 0 HA VAL A 125 -10.545 20.948 1.959 1.00 0.00 H new ATOM 0 HB VAL A 125 -12.639 18.743 1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -13.782 20.081 3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -12.181 19.520 4.172 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -12.406 21.209 3.658 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -14.213 20.539 1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -12.855 21.684 1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -12.936 20.309 0.044 1.00 0.00 H new ATOM 1858 N ALA A 126 -9.376 19.582 3.664 1.00 0.00 N ATOM 1859 CA ALA A 126 -8.692 18.845 4.693 1.00 0.00 C ATOM 1860 C ALA A 126 -9.572 18.758 5.914 1.00 0.00 C ATOM 1861 O ALA A 126 -10.193 19.752 6.302 1.00 0.00 O ATOM 1862 CB ALA A 126 -7.354 19.482 5.029 1.00 0.00 C ATOM 0 H ALA A 126 -9.262 20.593 3.731 1.00 0.00 H new ATOM 0 HA ALA A 126 -8.486 17.838 4.329 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -6.861 18.903 5.810 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -6.726 19.500 4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -7.514 20.501 5.380 1.00 0.00 H new ATOM 1868 N TRP A 127 -9.628 17.598 6.521 1.00 0.00 N ATOM 1869 CA TRP A 127 -10.468 17.399 7.693 1.00 0.00 C ATOM 1870 C TRP A 127 -9.633 17.414 8.972 1.00 0.00 C ATOM 1871 O TRP A 127 -10.071 16.945 10.037 1.00 0.00 O ATOM 1872 CB TRP A 127 -11.249 16.093 7.559 1.00 0.00 C ATOM 1873 CG TRP A 127 -12.088 16.031 6.315 1.00 0.00 C ATOM 1874 CD1 TRP A 127 -13.079 16.896 5.954 1.00 0.00 C ATOM 1875 CD2 TRP A 127 -12.030 15.036 5.283 1.00 0.00 C ATOM 1876 NE1 TRP A 127 -13.620 16.518 4.755 1.00 0.00 N ATOM 1877 CE2 TRP A 127 -12.999 15.380 4.321 1.00 0.00 C ATOM 1878 CE3 TRP A 127 -11.248 13.898 5.073 1.00 0.00 C ATOM 1879 CZ2 TRP A 127 -13.208 14.625 3.171 1.00 0.00 C ATOM 1880 CZ3 TRP A 127 -11.457 13.150 3.932 1.00 0.00 C ATOM 1881 CH2 TRP A 127 -12.427 13.518 2.994 1.00 0.00 C ATOM 0 H TRP A 127 -9.105 16.773 6.229 1.00 0.00 H new ATOM 0 HA TRP A 127 -11.180 18.222 7.758 1.00 0.00 H new ATOM 0 HB2 TRP A 127 -10.550 15.257 7.560 1.00 0.00 H new ATOM 0 HB3 TRP A 127 -11.893 15.971 8.430 1.00 0.00 H new ATOM 0 HD1 TRP A 127 -13.391 17.754 6.530 1.00 0.00 H new ATOM 0 HE1 TRP A 127 -14.368 17.008 4.263 1.00 0.00 H new ATOM 0 HE3 TRP A 127 -10.494 13.609 5.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 -13.959 14.903 2.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 -10.861 12.266 3.761 1.00 0.00 H new ATOM 0 HH2 TRP A 127 -12.562 12.913 2.109 1.00 0.00 H new ATOM 1892 N GLY A 128 -8.458 17.985 8.872 1.00 0.00 N ATOM 1893 CA GLY A 128 -7.570 18.091 9.984 1.00 0.00 C ATOM 1894 C GLY A 128 -6.390 18.942 9.626 1.00 0.00 C ATOM 1895 O GLY A 128 -6.288 19.403 8.485 1.00 0.00 O ATOM 0 H GLY A 128 -8.096 18.389 8.008 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -8.094 18.523 10.837 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -7.234 17.099 10.286 1.00 0.00 H new ATOM 1899 N VAL A 129 -5.495 19.127 10.557 1.00 0.00 N ATOM 1900 CA VAL A 129 -4.342 19.982 10.366 1.00 0.00 C ATOM 1901 C VAL A 129 -3.073 19.143 10.329 1.00 0.00 C ATOM 1902 O VAL A 129 -2.893 18.235 11.151 1.00 0.00 O ATOM 1903 CB VAL A 129 -4.218 21.028 11.511 1.00 0.00 C ATOM 1904 CG1 VAL A 129 -3.087 22.014 11.242 1.00 0.00 C ATOM 1905 CG2 VAL A 129 -5.528 21.764 11.719 1.00 0.00 C ATOM 0 H VAL A 129 -5.540 18.689 11.477 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.474 20.508 9.421 1.00 0.00 H new ATOM 0 HB VAL A 129 -3.980 20.485 12.426 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -3.027 22.731 12.061 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -2.144 21.473 11.164 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -3.280 22.544 10.309 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -5.414 22.489 12.525 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -5.804 22.282 10.801 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -6.309 21.050 11.981 1.00 0.00 H new ATOM 1915 N PHE A 130 -2.213 19.443 9.384 1.00 0.00 N ATOM 1916 CA PHE A 130 -0.955 18.750 9.229 1.00 0.00 C ATOM 1917 C PHE A 130 0.159 19.537 9.878 1.00 0.00 C ATOM 1918 O PHE A 130 0.320 20.744 9.622 1.00 0.00 O ATOM 1919 CB PHE A 130 -0.620 18.545 7.749 1.00 0.00 C ATOM 1920 CG PHE A 130 -1.553 17.634 7.017 1.00 0.00 C ATOM 1921 CD1 PHE A 130 -2.771 18.094 6.550 1.00 0.00 C ATOM 1922 CD2 PHE A 130 -1.206 16.317 6.786 1.00 0.00 C ATOM 1923 CE1 PHE A 130 -3.622 17.259 5.875 1.00 0.00 C ATOM 1924 CE2 PHE A 130 -2.052 15.476 6.107 1.00 0.00 C ATOM 1925 CZ PHE A 130 -3.261 15.948 5.650 1.00 0.00 C ATOM 0 H PHE A 130 -2.368 20.180 8.696 1.00 0.00 H new ATOM 0 HA PHE A 130 -1.051 17.777 9.711 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -0.618 19.516 7.253 1.00 0.00 H new ATOM 0 HB3 PHE A 130 0.391 18.146 7.671 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -3.054 19.122 6.719 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -0.258 15.945 7.144 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -4.573 17.627 5.520 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -1.770 14.448 5.932 1.00 0.00 H new ATOM 0 HZ PHE A 130 -3.929 15.290 5.114 1.00 0.00 H new ATOM 1935 N LYS A 131 0.886 18.885 10.721 1.00 0.00 N ATOM 1936 CA LYS A 131 2.038 19.434 11.359 1.00 0.00 C ATOM 1937 C LYS A 131 3.219 18.549 10.983 1.00 0.00 C ATOM 1938 O LYS A 131 3.605 17.684 11.791 1.00 0.00 O ATOM 1939 CB LYS A 131 1.877 19.444 12.895 1.00 0.00 C ATOM 1940 CG LYS A 131 0.729 20.274 13.460 1.00 0.00 C ATOM 1941 CD LYS A 131 0.790 20.257 14.977 1.00 0.00 C ATOM 1942 CE LYS A 131 -0.304 21.087 15.634 1.00 0.00 C ATOM 1943 NZ LYS A 131 -0.139 21.123 17.109 1.00 0.00 N ATOM 1944 OXT LYS A 131 3.726 18.667 9.853 1.00 0.00 O ATOM 0 H LYS A 131 0.689 17.922 10.995 1.00 0.00 H new ATOM 0 HA LYS A 131 2.184 20.465 11.036 1.00 0.00 H new ATOM 0 HB2 LYS A 131 1.749 18.415 13.230 1.00 0.00 H new ATOM 0 HB3 LYS A 131 2.807 19.808 13.332 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.793 21.299 13.094 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -0.226 19.873 13.119 1.00 0.00 H new ATOM 0 HD2 LYS A 131 0.713 19.227 15.325 1.00 0.00 H new ATOM 0 HD3 LYS A 131 1.762 20.630 15.299 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -0.281 22.102 15.238 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -1.280 20.670 15.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -0.899 21.696 17.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -0.185 20.155 17.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 0.783 21.543 17.345 1.00 0.00 H new TER 1958 LYS A 131