USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 753 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 85 GLN : amide:sc= 1.15 K(o=2.1,f=-8.8!) USER MOD Set 1.2: A 90 LYS NZ :NH3+ 146:sc= 0.909 (180deg=-0.662) USER MOD Set 2.1: A 60 HIS : no HD1:sc= -0.0713 X(o=-0.099,f=0.23) USER MOD Set 2.2: A 67 SER OG : rot 180:sc= -0.0275 USER MOD Set 3.1: A 27 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 101 LYS NZ :NH3+ -162:sc= 2.03 (180deg=0.534!) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.18 (180deg=0) USER MOD Single : A 2 HIS : no HE2:sc= -0.3 K(o=-0.3,f=-1.2) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -140:sc= 1.2 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 30:sc= -0.456 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.0734 USER MOD Single : A 20 HIS : no HE2:sc= -0.244 K(o=-0.24,f=-1.5) USER MOD Single : A 21 THR OG1 : rot -4:sc= 0.452 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 94:sc= 1.27 USER MOD Single : A 31 SER OG : rot 43:sc= 0.553 USER MOD Single : A 37 THR OG1 : rot 78:sc= 0.652 USER MOD Single : A 38 SER OG : rot 115:sc= 1.15 USER MOD Single : A 39 TYR OH : rot 87:sc= 0.638 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0526 USER MOD Single : A 44 ASN : amide:sc= -0.0043 X(o=-0.0043,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 50:sc= 0.00239 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0288 X(o=-0.029,f=-0.067) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -2.21 K(o=-2.2,f=-6.5!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -59:sc= 1.8 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 170:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.91) USER MOD Single : A 102 THR OG1 : rot 52:sc= 0.15 USER MOD Single : A 103 SER OG : rot 180:sc= 0.166 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.762 16.751 -2.189 1.00 0.00 N ATOM 2 CA GLY A 1 -34.539 15.559 -2.563 1.00 0.00 C ATOM 3 C GLY A 1 -33.833 14.309 -2.068 1.00 0.00 C ATOM 4 O GLY A 1 -32.698 14.398 -1.606 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.323 17.342 -1.542 1.00 0.00 H new ATOM 0 H2 GLY A 1 -32.883 16.458 -1.716 1.00 0.00 H new ATOM 0 H3 GLY A 1 -33.530 17.297 -3.044 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -35.540 15.617 -2.134 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -34.658 15.516 -3.646 1.00 0.00 H new ATOM 8 N HIS A 2 -34.480 13.147 -2.179 1.00 0.00 N ATOM 9 CA HIS A 2 -33.773 11.871 -2.132 1.00 0.00 C ATOM 10 C HIS A 2 -33.016 11.684 -3.452 1.00 0.00 C ATOM 11 O HIS A 2 -33.413 12.253 -4.474 1.00 0.00 O ATOM 12 CB HIS A 2 -34.782 10.731 -1.906 1.00 0.00 C ATOM 13 CG HIS A 2 -35.973 10.755 -2.840 1.00 0.00 C ATOM 14 ND1 HIS A 2 -35.933 10.768 -4.220 1.00 0.00 N ATOM 15 CD2 HIS A 2 -37.288 10.825 -2.464 1.00 0.00 C ATOM 16 CE1 HIS A 2 -37.201 10.829 -4.663 1.00 0.00 C ATOM 17 NE2 HIS A 2 -38.054 10.886 -3.630 1.00 0.00 N ATOM 0 H HIS A 2 -35.489 13.066 -2.302 1.00 0.00 H new ATOM 0 HA HIS A 2 -33.060 11.858 -1.308 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -34.266 9.778 -2.020 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -35.141 10.779 -0.878 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -35.094 10.737 -4.799 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -37.664 10.832 -1.451 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -37.491 10.832 -5.703 1.00 0.00 H new ATOM 25 N MET A 3 -32.008 10.814 -3.468 1.00 0.00 N ATOM 26 CA MET A 3 -31.310 10.378 -4.671 1.00 0.00 C ATOM 27 C MET A 3 -31.190 8.855 -4.633 1.00 0.00 C ATOM 28 O MET A 3 -31.261 8.242 -3.567 1.00 0.00 O ATOM 29 CB MET A 3 -29.924 11.045 -4.783 1.00 0.00 C ATOM 30 CG MET A 3 -29.995 12.488 -5.300 1.00 0.00 C ATOM 31 SD MET A 3 -30.403 13.769 -4.082 1.00 0.00 S ATOM 32 CE MET A 3 -31.040 15.030 -5.215 1.00 0.00 C ATOM 0 H MET A 3 -31.645 10.382 -2.618 1.00 0.00 H new ATOM 0 HA MET A 3 -31.875 10.679 -5.553 1.00 0.00 H new ATOM 0 HB2 MET A 3 -29.443 11.038 -3.805 1.00 0.00 H new ATOM 0 HB3 MET A 3 -29.296 10.456 -5.451 1.00 0.00 H new ATOM 0 HG2 MET A 3 -29.033 12.737 -5.747 1.00 0.00 H new ATOM 0 HG3 MET A 3 -30.737 12.528 -6.098 1.00 0.00 H new ATOM 0 HE1 MET A 3 -31.347 15.908 -4.647 1.00 0.00 H new ATOM 0 HE2 MET A 3 -30.260 15.310 -5.923 1.00 0.00 H new ATOM 0 HE3 MET A 3 -31.897 14.632 -5.758 1.00 0.00 H new ATOM 42 N GLY A 4 -30.987 8.250 -5.802 1.00 0.00 N ATOM 43 CA GLY A 4 -30.748 6.830 -5.986 1.00 0.00 C ATOM 44 C GLY A 4 -29.988 6.673 -7.297 1.00 0.00 C ATOM 45 O GLY A 4 -30.195 7.458 -8.227 1.00 0.00 O ATOM 0 H GLY A 4 -30.986 8.764 -6.683 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -30.171 6.425 -5.155 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -31.689 6.281 -6.018 1.00 0.00 H new ATOM 49 N SER A 5 -29.087 5.697 -7.359 1.00 0.00 N ATOM 50 CA SER A 5 -28.089 5.585 -8.412 1.00 0.00 C ATOM 51 C SER A 5 -27.408 4.206 -8.319 1.00 0.00 C ATOM 52 O SER A 5 -27.560 3.530 -7.293 1.00 0.00 O ATOM 53 CB SER A 5 -27.109 6.761 -8.244 1.00 0.00 C ATOM 54 OG SER A 5 -26.680 6.939 -6.901 1.00 0.00 O ATOM 0 H SER A 5 -29.031 4.950 -6.666 1.00 0.00 H new ATOM 0 HA SER A 5 -28.527 5.646 -9.408 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.239 6.595 -8.879 1.00 0.00 H new ATOM 0 HB3 SER A 5 -27.587 7.677 -8.591 1.00 0.00 H new ATOM 0 HG SER A 5 -26.060 7.696 -6.853 1.00 0.00 H new ATOM 60 N PRO A 6 -26.687 3.749 -9.362 1.00 0.00 N ATOM 61 CA PRO A 6 -25.959 2.483 -9.328 1.00 0.00 C ATOM 62 C PRO A 6 -24.716 2.591 -8.438 1.00 0.00 C ATOM 63 O PRO A 6 -24.400 3.658 -7.899 1.00 0.00 O ATOM 64 CB PRO A 6 -25.599 2.193 -10.788 1.00 0.00 C ATOM 65 CG PRO A 6 -25.397 3.593 -11.350 1.00 0.00 C ATOM 66 CD PRO A 6 -26.515 4.381 -10.665 1.00 0.00 C ATOM 0 HA PRO A 6 -26.551 1.674 -8.900 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -24.698 1.586 -10.873 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -26.395 1.657 -11.305 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -24.411 3.991 -11.108 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -25.491 3.613 -12.436 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -26.248 5.433 -10.560 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -27.437 4.342 -11.246 1.00 0.00 H new ATOM 74 N VAL A 7 -24.001 1.480 -8.275 1.00 0.00 N ATOM 75 CA VAL A 7 -22.827 1.422 -7.417 1.00 0.00 C ATOM 76 C VAL A 7 -21.598 1.974 -8.154 1.00 0.00 C ATOM 77 O VAL A 7 -21.020 1.302 -9.014 1.00 0.00 O ATOM 78 CB VAL A 7 -22.606 -0.006 -6.891 1.00 0.00 C ATOM 79 CG1 VAL A 7 -21.513 0.052 -5.821 1.00 0.00 C ATOM 80 CG2 VAL A 7 -23.879 -0.571 -6.242 1.00 0.00 C ATOM 0 H VAL A 7 -24.222 0.597 -8.735 1.00 0.00 H new ATOM 0 HA VAL A 7 -22.991 2.056 -6.546 1.00 0.00 H new ATOM 0 HB VAL A 7 -22.329 -0.648 -7.727 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -21.334 -0.949 -5.429 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -20.594 0.439 -6.261 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -21.832 0.708 -5.011 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -23.686 -1.581 -5.882 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -24.173 0.063 -5.405 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -24.683 -0.596 -6.978 1.00 0.00 H new ATOM 90 N SER A 8 -21.181 3.174 -7.753 1.00 0.00 N ATOM 91 CA SER A 8 -20.028 3.889 -8.275 1.00 0.00 C ATOM 92 C SER A 8 -18.854 3.744 -7.311 1.00 0.00 C ATOM 93 O SER A 8 -18.954 4.163 -6.156 1.00 0.00 O ATOM 94 CB SER A 8 -20.368 5.366 -8.417 1.00 0.00 C ATOM 95 OG SER A 8 -21.326 5.564 -9.432 1.00 0.00 O ATOM 0 H SER A 8 -21.664 3.695 -7.021 1.00 0.00 H new ATOM 0 HA SER A 8 -19.760 3.474 -9.247 1.00 0.00 H new ATOM 0 HB2 SER A 8 -20.750 5.748 -7.471 1.00 0.00 H new ATOM 0 HB3 SER A 8 -19.465 5.931 -8.648 1.00 0.00 H new ATOM 0 HG SER A 8 -21.532 6.519 -9.506 1.00 0.00 H new ATOM 101 N TYR A 9 -17.752 3.146 -7.756 1.00 0.00 N ATOM 102 CA TYR A 9 -16.523 3.048 -6.984 1.00 0.00 C ATOM 103 C TYR A 9 -15.658 4.269 -7.258 1.00 0.00 C ATOM 104 O TYR A 9 -15.582 4.755 -8.391 1.00 0.00 O ATOM 105 CB TYR A 9 -15.779 1.758 -7.327 1.00 0.00 C ATOM 106 CG TYR A 9 -16.211 0.575 -6.488 1.00 0.00 C ATOM 107 CD1 TYR A 9 -17.561 0.173 -6.465 1.00 0.00 C ATOM 108 CD2 TYR A 9 -15.265 -0.096 -5.691 1.00 0.00 C ATOM 109 CE1 TYR A 9 -17.958 -0.921 -5.682 1.00 0.00 C ATOM 110 CE2 TYR A 9 -15.666 -1.164 -4.870 1.00 0.00 C ATOM 111 CZ TYR A 9 -17.019 -1.591 -4.865 1.00 0.00 C ATOM 112 OH TYR A 9 -17.451 -2.597 -4.058 1.00 0.00 O ATOM 0 H TYR A 9 -17.690 2.711 -8.676 1.00 0.00 H new ATOM 0 HA TYR A 9 -16.762 3.019 -5.921 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -15.937 1.525 -8.380 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.709 1.918 -7.193 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -18.292 0.709 -7.052 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -14.229 0.210 -5.710 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -18.986 -1.253 -5.703 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -14.942 -1.661 -4.241 1.00 0.00 H new ATOM 0 HH TYR A 9 -16.992 -2.543 -3.194 1.00 0.00 H new ATOM 122 N TYR A 10 -14.997 4.772 -6.219 1.00 0.00 N ATOM 123 CA TYR A 10 -14.009 5.830 -6.326 1.00 0.00 C ATOM 124 C TYR A 10 -12.626 5.221 -6.166 1.00 0.00 C ATOM 125 O TYR A 10 -12.419 4.332 -5.326 1.00 0.00 O ATOM 126 CB TYR A 10 -14.273 6.915 -5.287 1.00 0.00 C ATOM 127 CG TYR A 10 -15.523 7.715 -5.582 1.00 0.00 C ATOM 128 CD1 TYR A 10 -16.767 7.306 -5.073 1.00 0.00 C ATOM 129 CD2 TYR A 10 -15.445 8.856 -6.401 1.00 0.00 C ATOM 130 CE1 TYR A 10 -17.927 8.033 -5.384 1.00 0.00 C ATOM 131 CE2 TYR A 10 -16.593 9.621 -6.670 1.00 0.00 C ATOM 132 CZ TYR A 10 -17.844 9.212 -6.155 1.00 0.00 C ATOM 133 OH TYR A 10 -18.963 9.944 -6.390 1.00 0.00 O ATOM 0 H TYR A 10 -15.139 4.446 -5.263 1.00 0.00 H new ATOM 0 HA TYR A 10 -14.073 6.306 -7.305 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -14.365 6.455 -4.303 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -13.417 7.589 -5.246 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -16.831 6.432 -4.442 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -14.496 9.146 -6.826 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -18.888 7.688 -5.031 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -16.519 10.518 -7.268 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.734 10.725 -6.936 1.00 0.00 H new ATOM 143 N PHE A 11 -11.689 5.682 -6.991 1.00 0.00 N ATOM 144 CA PHE A 11 -10.376 5.082 -7.109 1.00 0.00 C ATOM 145 C PHE A 11 -9.330 6.110 -7.579 1.00 0.00 C ATOM 146 O PHE A 11 -8.618 5.874 -8.549 1.00 0.00 O ATOM 147 CB PHE A 11 -10.447 3.818 -7.994 1.00 0.00 C ATOM 148 CG PHE A 11 -11.305 3.863 -9.254 1.00 0.00 C ATOM 149 CD1 PHE A 11 -10.920 4.619 -10.381 1.00 0.00 C ATOM 150 CD2 PHE A 11 -12.483 3.091 -9.320 1.00 0.00 C ATOM 151 CE1 PHE A 11 -11.706 4.617 -11.547 1.00 0.00 C ATOM 152 CE2 PHE A 11 -13.264 3.078 -10.489 1.00 0.00 C ATOM 153 CZ PHE A 11 -12.876 3.842 -11.604 1.00 0.00 C ATOM 0 H PHE A 11 -11.828 6.490 -7.599 1.00 0.00 H new ATOM 0 HA PHE A 11 -10.038 4.757 -6.125 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -9.430 3.565 -8.294 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -10.810 2.998 -7.374 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -10.013 5.205 -10.348 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -12.788 2.505 -8.466 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -11.410 5.211 -12.399 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -14.163 2.481 -10.531 1.00 0.00 H new ATOM 0 HZ PHE A 11 -13.476 3.833 -12.502 1.00 0.00 H new ATOM 163 N SER A 12 -9.166 7.229 -6.871 1.00 0.00 N ATOM 164 CA SER A 12 -8.075 8.181 -7.109 1.00 0.00 C ATOM 165 C SER A 12 -7.869 9.041 -5.854 1.00 0.00 C ATOM 166 O SER A 12 -8.443 8.713 -4.812 1.00 0.00 O ATOM 167 CB SER A 12 -8.381 8.981 -8.379 1.00 0.00 C ATOM 168 OG SER A 12 -9.725 9.421 -8.407 1.00 0.00 O ATOM 0 H SER A 12 -9.789 7.503 -6.112 1.00 0.00 H new ATOM 0 HA SER A 12 -7.127 7.673 -7.285 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.715 9.842 -8.437 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.181 8.364 -9.255 1.00 0.00 H new ATOM 0 HG SER A 12 -9.886 9.929 -9.229 1.00 0.00 H new ATOM 174 N TYR A 13 -7.030 10.081 -5.886 1.00 0.00 N ATOM 175 CA TYR A 13 -7.038 11.101 -4.836 1.00 0.00 C ATOM 176 C TYR A 13 -8.351 11.878 -4.936 1.00 0.00 C ATOM 177 O TYR A 13 -8.967 11.915 -6.002 1.00 0.00 O ATOM 178 CB TYR A 13 -5.823 12.034 -4.961 1.00 0.00 C ATOM 179 CG TYR A 13 -4.535 11.445 -4.407 1.00 0.00 C ATOM 180 CD1 TYR A 13 -3.900 10.366 -5.050 1.00 0.00 C ATOM 181 CD2 TYR A 13 -3.981 11.958 -3.219 1.00 0.00 C ATOM 182 CE1 TYR A 13 -2.765 9.766 -4.478 1.00 0.00 C ATOM 183 CE2 TYR A 13 -2.855 11.354 -2.637 1.00 0.00 C ATOM 184 CZ TYR A 13 -2.269 10.224 -3.243 1.00 0.00 C ATOM 185 OH TYR A 13 -1.244 9.573 -2.627 1.00 0.00 O ATOM 0 H TYR A 13 -6.342 10.237 -6.622 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.967 10.627 -3.857 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.675 12.283 -6.012 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.038 12.967 -4.440 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.287 9.997 -5.988 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.426 12.824 -2.751 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.272 8.951 -4.988 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.438 11.755 -1.725 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.668 9.157 -3.302 1.00 0.00 H new ATOM 195 N ALA A 14 -8.765 12.508 -3.841 1.00 0.00 N ATOM 196 CA ALA A 14 -9.952 13.358 -3.764 1.00 0.00 C ATOM 197 C ALA A 14 -9.569 14.829 -3.901 1.00 0.00 C ATOM 198 O ALA A 14 -10.440 15.687 -4.087 1.00 0.00 O ATOM 199 CB ALA A 14 -10.647 13.160 -2.414 1.00 0.00 C ATOM 0 H ALA A 14 -8.268 12.440 -2.953 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.622 13.079 -4.577 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.531 13.796 -2.363 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.944 12.117 -2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.961 13.426 -1.609 1.00 0.00 H new ATOM 205 N ASP A 15 -8.272 15.104 -3.805 1.00 0.00 N ATOM 206 CA ASP A 15 -7.645 16.400 -3.870 1.00 0.00 C ATOM 207 C ASP A 15 -6.345 16.159 -4.626 1.00 0.00 C ATOM 208 O ASP A 15 -5.259 16.027 -4.058 1.00 0.00 O ATOM 209 CB ASP A 15 -7.425 16.969 -2.466 1.00 0.00 C ATOM 210 CG ASP A 15 -6.481 18.164 -2.527 1.00 0.00 C ATOM 211 OD1 ASP A 15 -6.762 19.106 -3.305 1.00 0.00 O ATOM 212 OD2 ASP A 15 -5.434 18.126 -1.848 1.00 0.00 O ATOM 0 H ASP A 15 -7.587 14.361 -3.669 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.257 17.146 -4.377 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.379 17.271 -2.034 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.009 16.200 -1.815 1.00 0.00 H new ATOM 217 N GLY A 16 -6.483 15.981 -5.933 1.00 0.00 N ATOM 218 CA GLY A 16 -5.380 16.173 -6.853 1.00 0.00 C ATOM 219 C GLY A 16 -5.587 15.324 -8.085 1.00 0.00 C ATOM 220 O GLY A 16 -6.129 15.794 -9.090 1.00 0.00 O ATOM 0 H GLY A 16 -7.357 15.702 -6.379 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.307 17.224 -7.133 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.440 15.905 -6.369 1.00 0.00 H new ATOM 224 N GLY A 17 -5.149 14.073 -8.000 1.00 0.00 N ATOM 225 CA GLY A 17 -4.833 13.268 -9.163 1.00 0.00 C ATOM 226 C GLY A 17 -4.723 11.800 -8.807 1.00 0.00 C ATOM 227 O GLY A 17 -5.697 11.215 -8.321 1.00 0.00 O ATOM 0 H GLY A 17 -5.004 13.590 -7.113 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.604 13.403 -9.921 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.894 13.609 -9.599 1.00 0.00 H new ATOM 231 N THR A 18 -3.582 11.178 -9.099 1.00 0.00 N ATOM 232 CA THR A 18 -3.365 9.757 -8.856 1.00 0.00 C ATOM 233 C THR A 18 -1.966 9.503 -8.288 1.00 0.00 C ATOM 234 O THR A 18 -1.411 8.434 -8.521 1.00 0.00 O ATOM 235 CB THR A 18 -3.687 8.917 -10.114 1.00 0.00 C ATOM 236 OG1 THR A 18 -2.876 9.273 -11.214 1.00 0.00 O ATOM 237 CG2 THR A 18 -5.150 9.018 -10.551 1.00 0.00 C ATOM 0 H THR A 18 -2.779 11.651 -9.513 1.00 0.00 H new ATOM 0 HA THR A 18 -4.065 9.423 -8.090 1.00 0.00 H new ATOM 0 HB THR A 18 -3.480 7.890 -9.815 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.111 8.718 -11.987 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.308 8.405 -11.439 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.795 8.665 -9.747 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.391 10.056 -10.780 1.00 0.00 H new ATOM 245 N SER A 19 -1.359 10.445 -7.559 1.00 0.00 N ATOM 246 CA SER A 19 -0.053 10.232 -6.929 1.00 0.00 C ATOM 247 C SER A 19 0.172 11.279 -5.840 1.00 0.00 C ATOM 248 O SER A 19 -0.172 12.443 -6.061 1.00 0.00 O ATOM 249 CB SER A 19 1.029 10.389 -8.005 1.00 0.00 C ATOM 250 OG SER A 19 2.073 9.441 -7.883 1.00 0.00 O ATOM 0 H SER A 19 -1.756 11.369 -7.390 1.00 0.00 H new ATOM 0 HA SER A 19 -0.012 9.238 -6.483 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.571 10.292 -8.989 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.449 11.393 -7.946 1.00 0.00 H new ATOM 0 HG SER A 19 2.732 9.587 -8.594 1.00 0.00 H new ATOM 256 N HIS A 20 0.822 10.918 -4.732 1.00 0.00 N ATOM 257 CA HIS A 20 1.392 11.922 -3.835 1.00 0.00 C ATOM 258 C HIS A 20 2.859 12.073 -4.204 1.00 0.00 C ATOM 259 O HIS A 20 3.524 11.111 -4.607 1.00 0.00 O ATOM 260 CB HIS A 20 1.260 11.527 -2.360 1.00 0.00 C ATOM 261 CG HIS A 20 1.804 12.556 -1.407 1.00 0.00 C ATOM 262 ND1 HIS A 20 1.227 13.768 -1.085 1.00 0.00 N ATOM 263 CD2 HIS A 20 2.961 12.445 -0.693 1.00 0.00 C ATOM 264 CE1 HIS A 20 2.025 14.362 -0.179 1.00 0.00 C ATOM 265 NE2 HIS A 20 3.084 13.582 0.092 1.00 0.00 N ATOM 0 H HIS A 20 0.965 9.952 -4.438 1.00 0.00 H new ATOM 0 HA HIS A 20 0.849 12.860 -3.953 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.208 11.354 -2.132 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.781 10.583 -2.198 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.357 14.143 -1.463 1.00 0.00 H new ATOM 0 HD2 HIS A 20 3.657 11.620 -0.732 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.840 15.328 0.267 1.00 0.00 H new ATOM 273 N THR A 21 3.401 13.266 -4.034 1.00 0.00 N ATOM 274 CA THR A 21 4.823 13.473 -3.922 1.00 0.00 C ATOM 275 C THR A 21 5.015 14.573 -2.889 1.00 0.00 C ATOM 276 O THR A 21 4.295 15.573 -2.902 1.00 0.00 O ATOM 277 CB THR A 21 5.422 13.802 -5.299 1.00 0.00 C ATOM 278 OG1 THR A 21 5.139 12.724 -6.178 1.00 0.00 O ATOM 279 CG2 THR A 21 6.943 13.979 -5.224 1.00 0.00 C ATOM 0 H THR A 21 2.854 14.125 -3.970 1.00 0.00 H new ATOM 0 HA THR A 21 5.353 12.580 -3.591 1.00 0.00 H new ATOM 0 HB THR A 21 4.984 14.735 -5.653 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.687 12.009 -5.684 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.332 14.211 -6.216 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.181 14.795 -4.541 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.399 13.058 -4.862 1.00 0.00 H new ATOM 287 N GLU A 22 5.999 14.393 -2.016 1.00 0.00 N ATOM 288 CA GLU A 22 6.466 15.441 -1.131 1.00 0.00 C ATOM 289 C GLU A 22 7.881 15.799 -1.576 1.00 0.00 C ATOM 290 O GLU A 22 8.632 14.918 -2.017 1.00 0.00 O ATOM 291 CB GLU A 22 6.370 14.973 0.338 1.00 0.00 C ATOM 292 CG GLU A 22 6.129 16.103 1.354 1.00 0.00 C ATOM 293 CD GLU A 22 4.833 16.882 1.093 1.00 0.00 C ATOM 294 OE1 GLU A 22 4.873 17.816 0.255 1.00 0.00 O ATOM 295 OE2 GLU A 22 3.765 16.564 1.656 1.00 0.00 O ATOM 0 H GLU A 22 6.495 13.509 -1.905 1.00 0.00 H new ATOM 0 HA GLU A 22 5.850 16.339 -1.186 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.561 14.247 0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.292 14.455 0.602 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.095 15.680 2.358 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.972 16.793 1.327 1.00 0.00 H new ATOM 302 N TYR A 23 8.225 17.083 -1.481 1.00 0.00 N ATOM 303 CA TYR A 23 9.563 17.598 -1.720 1.00 0.00 C ATOM 304 C TYR A 23 10.015 18.332 -0.449 1.00 0.00 C ATOM 305 O TYR A 23 10.043 19.564 -0.445 1.00 0.00 O ATOM 306 CB TYR A 23 9.565 18.510 -2.960 1.00 0.00 C ATOM 307 CG TYR A 23 9.294 17.819 -4.283 1.00 0.00 C ATOM 308 CD1 TYR A 23 7.982 17.692 -4.775 1.00 0.00 C ATOM 309 CD2 TYR A 23 10.370 17.335 -5.043 1.00 0.00 C ATOM 310 CE1 TYR A 23 7.748 17.119 -6.040 1.00 0.00 C ATOM 311 CE2 TYR A 23 10.145 16.723 -6.287 1.00 0.00 C ATOM 312 CZ TYR A 23 8.831 16.615 -6.796 1.00 0.00 C ATOM 313 OH TYR A 23 8.619 16.039 -8.013 1.00 0.00 O ATOM 0 H TYR A 23 7.557 17.811 -1.228 1.00 0.00 H new ATOM 0 HA TYR A 23 10.266 16.792 -1.930 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.816 19.289 -2.817 1.00 0.00 H new ATOM 0 HB3 TYR A 23 10.533 19.007 -3.022 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.150 18.036 -4.179 1.00 0.00 H new ATOM 0 HD2 TYR A 23 11.378 17.434 -4.669 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.743 17.065 -6.432 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.977 16.334 -6.855 1.00 0.00 H new ATOM 0 HH TYR A 23 9.475 15.750 -8.392 1.00 0.00 H new ATOM 323 N PRO A 24 10.320 17.620 0.651 1.00 0.00 N ATOM 324 CA PRO A 24 10.784 18.246 1.884 1.00 0.00 C ATOM 325 C PRO A 24 12.212 18.794 1.726 1.00 0.00 C ATOM 326 O PRO A 24 12.848 18.639 0.673 1.00 0.00 O ATOM 327 CB PRO A 24 10.685 17.151 2.951 1.00 0.00 C ATOM 328 CG PRO A 24 10.935 15.881 2.152 1.00 0.00 C ATOM 329 CD PRO A 24 10.242 16.175 0.824 1.00 0.00 C ATOM 0 HA PRO A 24 10.183 19.112 2.161 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.426 17.286 3.739 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.707 17.141 3.431 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.000 15.690 2.019 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.513 15.004 2.643 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.734 15.655 0.002 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.206 15.838 0.840 1.00 0.00 H new ATOM 337 N ASP A 25 12.723 19.431 2.783 1.00 0.00 N ATOM 338 CA ASP A 25 14.098 19.902 2.880 1.00 0.00 C ATOM 339 C ASP A 25 14.501 19.895 4.361 1.00 0.00 C ATOM 340 O ASP A 25 13.681 19.541 5.218 1.00 0.00 O ATOM 341 CB ASP A 25 14.269 21.280 2.212 1.00 0.00 C ATOM 342 CG ASP A 25 15.704 21.554 1.737 1.00 0.00 C ATOM 343 OD1 ASP A 25 16.529 20.609 1.649 1.00 0.00 O ATOM 344 OD2 ASP A 25 16.001 22.704 1.348 1.00 0.00 O ATOM 0 H ASP A 25 12.172 19.637 3.616 1.00 0.00 H new ATOM 0 HA ASP A 25 14.768 19.237 2.334 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.593 21.349 1.360 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.973 22.057 2.917 1.00 0.00 H new ATOM 349 N ASP A 26 15.754 20.232 4.666 1.00 0.00 N ATOM 350 CA ASP A 26 16.427 20.154 5.973 1.00 0.00 C ATOM 351 C ASP A 26 16.420 18.752 6.602 1.00 0.00 C ATOM 352 O ASP A 26 17.469 18.109 6.642 1.00 0.00 O ATOM 353 CB ASP A 26 15.929 21.220 6.966 1.00 0.00 C ATOM 354 CG ASP A 26 16.763 21.131 8.246 1.00 0.00 C ATOM 355 OD1 ASP A 26 16.417 20.355 9.159 1.00 0.00 O ATOM 356 OD2 ASP A 26 17.859 21.740 8.286 1.00 0.00 O ATOM 0 H ASP A 26 16.381 20.598 3.949 1.00 0.00 H new ATOM 0 HA ASP A 26 17.471 20.376 5.752 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.016 22.214 6.527 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.874 21.062 7.191 1.00 0.00 H new ATOM 361 N SER A 27 15.271 18.314 7.126 1.00 0.00 N ATOM 362 CA SER A 27 14.975 17.025 7.741 1.00 0.00 C ATOM 363 C SER A 27 13.484 17.070 8.081 1.00 0.00 C ATOM 364 O SER A 27 13.146 17.430 9.214 1.00 0.00 O ATOM 365 CB SER A 27 15.888 16.792 8.966 1.00 0.00 C ATOM 366 OG SER A 27 15.497 15.746 9.849 1.00 0.00 O ATOM 0 H SER A 27 14.447 18.915 7.128 1.00 0.00 H new ATOM 0 HA SER A 27 15.176 16.179 7.083 1.00 0.00 H new ATOM 0 HB2 SER A 27 16.895 16.580 8.608 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.941 17.720 9.536 1.00 0.00 H new ATOM 0 HG SER A 27 16.140 15.682 10.586 1.00 0.00 H new ATOM 372 N SER A 28 12.591 16.796 7.119 1.00 0.00 N ATOM 373 CA SER A 28 11.152 16.965 7.299 1.00 0.00 C ATOM 374 C SER A 28 10.327 15.755 6.831 1.00 0.00 C ATOM 375 O SER A 28 9.510 15.841 5.910 1.00 0.00 O ATOM 376 CB SER A 28 10.685 18.241 6.616 1.00 0.00 C ATOM 377 OG SER A 28 11.531 19.360 6.843 1.00 0.00 O ATOM 0 H SER A 28 12.852 16.451 6.195 1.00 0.00 H new ATOM 0 HA SER A 28 10.978 17.043 8.372 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.616 18.062 5.543 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.681 18.481 6.965 1.00 0.00 H new ATOM 0 HG SER A 28 12.185 19.429 6.116 1.00 0.00 H new ATOM 383 N ALA A 29 10.506 14.639 7.524 1.00 0.00 N ATOM 384 CA ALA A 29 9.722 13.407 7.383 1.00 0.00 C ATOM 385 C ALA A 29 8.608 13.355 8.454 1.00 0.00 C ATOM 386 O ALA A 29 8.559 14.245 9.321 1.00 0.00 O ATOM 387 CB ALA A 29 10.679 12.212 7.473 1.00 0.00 C ATOM 0 H ALA A 29 11.234 14.558 8.234 1.00 0.00 H new ATOM 0 HA ALA A 29 9.222 13.376 6.415 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.114 11.285 7.370 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.418 12.277 6.675 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.185 12.223 8.438 1.00 0.00 H new ATOM 393 N GLY A 30 7.715 12.349 8.436 1.00 0.00 N ATOM 394 CA GLY A 30 6.698 12.205 9.460 1.00 0.00 C ATOM 395 C GLY A 30 5.616 11.199 9.077 1.00 0.00 C ATOM 396 O GLY A 30 5.807 10.353 8.198 1.00 0.00 O ATOM 0 H GLY A 30 7.688 11.628 7.715 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.168 11.890 10.392 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.237 13.175 9.648 1.00 0.00 H new ATOM 400 N SER A 31 4.477 11.267 9.768 1.00 0.00 N ATOM 401 CA SER A 31 3.391 10.304 9.678 1.00 0.00 C ATOM 402 C SER A 31 2.052 11.030 9.601 1.00 0.00 C ATOM 403 O SER A 31 1.502 11.426 10.629 1.00 0.00 O ATOM 404 CB SER A 31 3.467 9.347 10.870 1.00 0.00 C ATOM 405 OG SER A 31 3.425 10.066 12.089 1.00 0.00 O ATOM 0 H SER A 31 4.284 12.022 10.427 1.00 0.00 H new ATOM 0 HA SER A 31 3.485 9.713 8.767 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.638 8.640 10.829 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.386 8.764 10.817 1.00 0.00 H new ATOM 0 HG SER A 31 2.748 10.772 12.029 1.00 0.00 H new ATOM 411 N PHE A 32 1.552 11.232 8.385 1.00 0.00 N ATOM 412 CA PHE A 32 0.359 12.034 8.115 1.00 0.00 C ATOM 413 C PHE A 32 -0.793 11.183 7.565 1.00 0.00 C ATOM 414 O PHE A 32 -0.687 9.959 7.439 1.00 0.00 O ATOM 415 CB PHE A 32 0.750 13.202 7.198 1.00 0.00 C ATOM 416 CG PHE A 32 1.465 12.795 5.924 1.00 0.00 C ATOM 417 CD1 PHE A 32 2.862 12.619 5.940 1.00 0.00 C ATOM 418 CD2 PHE A 32 0.752 12.606 4.725 1.00 0.00 C ATOM 419 CE1 PHE A 32 3.540 12.254 4.769 1.00 0.00 C ATOM 420 CE2 PHE A 32 1.446 12.279 3.547 1.00 0.00 C ATOM 421 CZ PHE A 32 2.836 12.105 3.564 1.00 0.00 C ATOM 0 H PHE A 32 1.971 10.836 7.543 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.027 12.448 9.047 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.151 13.755 6.932 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.390 13.885 7.756 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.413 12.766 6.857 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.323 12.712 4.710 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.607 12.087 4.794 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.903 12.161 2.621 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.363 11.857 2.654 1.00 0.00 H new ATOM 431 N ILE A 33 -1.911 11.831 7.228 1.00 0.00 N ATOM 432 CA ILE A 33 -3.107 11.242 6.638 1.00 0.00 C ATOM 433 C ILE A 33 -3.409 12.071 5.384 1.00 0.00 C ATOM 434 O ILE A 33 -3.595 13.283 5.476 1.00 0.00 O ATOM 435 CB ILE A 33 -4.267 11.257 7.669 1.00 0.00 C ATOM 436 CG1 ILE A 33 -3.878 10.481 8.951 1.00 0.00 C ATOM 437 CG2 ILE A 33 -5.561 10.666 7.083 1.00 0.00 C ATOM 438 CD1 ILE A 33 -5.021 10.314 9.961 1.00 0.00 C ATOM 0 H ILE A 33 -2.007 12.837 7.369 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.971 10.196 6.363 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.451 12.301 7.922 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.513 9.494 8.667 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.052 10.999 9.438 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.348 10.695 7.836 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.868 11.250 6.215 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.385 9.633 6.781 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.662 9.760 10.828 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.373 11.296 10.278 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.841 9.768 9.495 1.00 0.00 H new ATOM 450 N LEU A 34 -3.424 11.428 4.214 1.00 0.00 N ATOM 451 CA LEU A 34 -3.871 12.019 2.948 1.00 0.00 C ATOM 452 C LEU A 34 -5.378 11.812 2.807 1.00 0.00 C ATOM 453 O LEU A 34 -5.976 11.056 3.573 1.00 0.00 O ATOM 454 CB LEU A 34 -3.140 11.347 1.768 1.00 0.00 C ATOM 455 CG LEU A 34 -1.643 11.695 1.721 1.00 0.00 C ATOM 456 CD1 LEU A 34 -0.890 10.703 0.827 1.00 0.00 C ATOM 457 CD2 LEU A 34 -1.428 13.130 1.224 1.00 0.00 C ATOM 0 H LEU A 34 -3.119 10.460 4.117 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.644 13.085 2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.255 10.266 1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.609 11.653 0.833 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.247 11.623 2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.168 10.964 0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.007 9.694 1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.295 10.744 -0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.361 13.351 1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.842 13.234 0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.928 13.827 1.897 1.00 0.00 H new ATOM 469 N ASP A 35 -6.013 12.408 1.801 1.00 0.00 N ATOM 470 CA ASP A 35 -7.464 12.337 1.582 1.00 0.00 C ATOM 471 C ASP A 35 -7.758 11.412 0.404 1.00 0.00 C ATOM 472 O ASP A 35 -8.608 11.718 -0.430 1.00 0.00 O ATOM 473 CB ASP A 35 -8.077 13.730 1.351 1.00 0.00 C ATOM 474 CG ASP A 35 -7.621 14.742 2.379 1.00 0.00 C ATOM 475 OD1 ASP A 35 -8.054 14.633 3.547 1.00 0.00 O ATOM 476 OD2 ASP A 35 -6.807 15.619 2.013 1.00 0.00 O ATOM 0 H ASP A 35 -5.528 12.966 1.098 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.926 11.932 2.482 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.807 14.082 0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.164 13.654 1.378 1.00 0.00 H new ATOM 481 N ILE A 36 -6.999 10.326 0.247 1.00 0.00 N ATOM 482 CA ILE A 36 -7.162 9.411 -0.880 1.00 0.00 C ATOM 483 C ILE A 36 -8.600 8.887 -0.871 1.00 0.00 C ATOM 484 O ILE A 36 -9.115 8.506 0.182 1.00 0.00 O ATOM 485 CB ILE A 36 -6.116 8.282 -0.799 1.00 0.00 C ATOM 486 CG1 ILE A 36 -4.711 8.873 -1.028 1.00 0.00 C ATOM 487 CG2 ILE A 36 -6.401 7.158 -1.811 1.00 0.00 C ATOM 488 CD1 ILE A 36 -3.592 7.882 -0.716 1.00 0.00 C ATOM 0 H ILE A 36 -6.258 10.058 0.895 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.992 9.923 -1.827 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.171 7.836 0.194 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.623 9.198 -2.065 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.589 9.759 -0.405 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.639 6.384 -1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.382 6.728 -1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.384 7.566 -2.822 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.627 8.355 -0.896 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.657 7.576 0.328 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.692 7.006 -1.357 1.00 0.00 H new ATOM 500 N THR A 37 -9.234 8.868 -2.044 1.00 0.00 N ATOM 501 CA THR A 37 -10.580 8.356 -2.180 1.00 0.00 C ATOM 502 C THR A 37 -10.510 6.836 -2.237 1.00 0.00 C ATOM 503 O THR A 37 -9.672 6.270 -2.954 1.00 0.00 O ATOM 504 CB THR A 37 -11.275 8.890 -3.446 1.00 0.00 C ATOM 505 OG1 THR A 37 -10.734 10.083 -3.950 1.00 0.00 O ATOM 506 CG2 THR A 37 -12.738 9.171 -3.135 1.00 0.00 C ATOM 0 H THR A 37 -8.825 9.206 -2.915 1.00 0.00 H new ATOM 0 HA THR A 37 -11.167 8.689 -1.324 1.00 0.00 H new ATOM 0 HB THR A 37 -11.135 8.114 -4.199 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.911 9.886 -4.444 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.234 9.549 -4.029 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.225 8.251 -2.812 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.805 9.915 -2.341 1.00 0.00 H new ATOM 514 N SER A 38 -11.433 6.161 -1.562 1.00 0.00 N ATOM 515 CA SER A 38 -11.591 4.727 -1.672 1.00 0.00 C ATOM 516 C SER A 38 -12.906 4.338 -1.015 1.00 0.00 C ATOM 517 O SER A 38 -12.938 3.940 0.145 1.00 0.00 O ATOM 518 CB SER A 38 -10.394 3.991 -1.055 1.00 0.00 C ATOM 519 OG SER A 38 -10.115 4.421 0.253 1.00 0.00 O ATOM 0 H SER A 38 -12.093 6.601 -0.921 1.00 0.00 H new ATOM 0 HA SER A 38 -11.619 4.432 -2.721 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.595 2.920 -1.047 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.515 4.146 -1.680 1.00 0.00 H new ATOM 0 HG SER A 38 -10.274 3.685 0.880 1.00 0.00 H new ATOM 525 N TYR A 39 -14.013 4.449 -1.737 1.00 0.00 N ATOM 526 CA TYR A 39 -15.296 3.974 -1.249 1.00 0.00 C ATOM 527 C TYR A 39 -16.171 3.635 -2.446 1.00 0.00 C ATOM 528 O TYR A 39 -15.823 3.960 -3.586 1.00 0.00 O ATOM 529 CB TYR A 39 -15.951 5.028 -0.336 1.00 0.00 C ATOM 530 CG TYR A 39 -16.484 6.268 -1.017 1.00 0.00 C ATOM 531 CD1 TYR A 39 -15.592 7.226 -1.519 1.00 0.00 C ATOM 532 CD2 TYR A 39 -17.870 6.489 -1.106 1.00 0.00 C ATOM 533 CE1 TYR A 39 -16.066 8.403 -2.115 1.00 0.00 C ATOM 534 CE2 TYR A 39 -18.350 7.680 -1.673 1.00 0.00 C ATOM 535 CZ TYR A 39 -17.456 8.638 -2.192 1.00 0.00 C ATOM 536 OH TYR A 39 -17.971 9.780 -2.718 1.00 0.00 O ATOM 0 H TYR A 39 -14.045 4.866 -2.667 1.00 0.00 H new ATOM 0 HA TYR A 39 -15.163 3.076 -0.645 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -16.772 4.553 0.200 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -15.219 5.336 0.411 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -14.528 7.055 -1.446 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -18.562 5.745 -0.740 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -15.371 9.127 -2.514 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -19.414 7.864 -1.712 1.00 0.00 H new ATOM 0 HH TYR A 39 -18.072 9.677 -3.687 1.00 0.00 H new ATOM 546 N LYS A 40 -17.317 3.010 -2.192 1.00 0.00 N ATOM 547 CA LYS A 40 -18.345 2.766 -3.193 1.00 0.00 C ATOM 548 C LYS A 40 -19.589 3.532 -2.781 1.00 0.00 C ATOM 549 O LYS A 40 -20.083 3.334 -1.674 1.00 0.00 O ATOM 550 CB LYS A 40 -18.563 1.265 -3.385 1.00 0.00 C ATOM 551 CG LYS A 40 -19.117 0.485 -2.183 1.00 0.00 C ATOM 552 CD LYS A 40 -20.587 0.187 -2.472 1.00 0.00 C ATOM 553 CE LYS A 40 -21.296 -0.449 -1.282 1.00 0.00 C ATOM 554 NZ LYS A 40 -22.377 -1.361 -1.717 1.00 0.00 N ATOM 0 H LYS A 40 -17.559 2.653 -1.268 1.00 0.00 H new ATOM 0 HA LYS A 40 -18.044 3.131 -4.175 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.245 1.126 -4.224 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.611 0.817 -3.671 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.559 -0.440 -2.035 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -19.016 1.068 -1.267 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -21.096 1.112 -2.743 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.658 -0.479 -3.332 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.574 -1.000 -0.680 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -21.712 0.332 -0.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.838 -1.776 -0.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -23.078 -0.829 -2.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -21.976 -2.120 -2.304 1.00 0.00 H new ATOM 568 N LYS A 41 -20.067 4.443 -3.621 1.00 0.00 N ATOM 569 CA LYS A 41 -21.288 5.197 -3.390 1.00 0.00 C ATOM 570 C LYS A 41 -22.421 4.527 -4.099 1.00 0.00 C ATOM 571 O LYS A 41 -22.267 3.955 -5.176 1.00 0.00 O ATOM 572 CB LYS A 41 -21.146 6.649 -3.870 1.00 0.00 C ATOM 573 CG LYS A 41 -22.246 7.583 -3.336 1.00 0.00 C ATOM 574 CD LYS A 41 -22.033 9.035 -3.780 1.00 0.00 C ATOM 575 CE LYS A 41 -22.922 9.962 -2.934 1.00 0.00 C ATOM 576 NZ LYS A 41 -22.760 11.377 -3.318 1.00 0.00 N ATOM 0 H LYS A 41 -19.605 4.681 -4.499 1.00 0.00 H new ATOM 0 HA LYS A 41 -21.486 5.221 -2.318 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -20.174 7.032 -3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -21.163 6.666 -4.960 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -23.218 7.236 -3.686 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -22.264 7.536 -2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -20.985 9.312 -3.665 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -22.277 9.144 -4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -23.966 9.671 -3.051 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -22.674 9.841 -1.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -23.375 11.970 -2.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -21.769 11.662 -3.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -23.021 11.498 -4.317 1.00 0.00 H new ATOM 590 N THR A 42 -23.562 4.641 -3.454 1.00 0.00 N ATOM 591 CA THR A 42 -24.848 4.267 -3.956 1.00 0.00 C ATOM 592 C THR A 42 -25.847 5.149 -3.181 1.00 0.00 C ATOM 593 O THR A 42 -25.431 5.968 -2.347 1.00 0.00 O ATOM 594 CB THR A 42 -24.954 2.729 -3.867 1.00 0.00 C ATOM 595 OG1 THR A 42 -26.285 2.322 -3.678 1.00 0.00 O ATOM 596 CG2 THR A 42 -24.075 1.996 -2.834 1.00 0.00 C ATOM 0 H THR A 42 -23.609 5.021 -2.509 1.00 0.00 H new ATOM 0 HA THR A 42 -25.059 4.455 -5.009 1.00 0.00 H new ATOM 0 HB THR A 42 -24.554 2.430 -4.836 1.00 0.00 H new ATOM 0 HG1 THR A 42 -26.324 1.344 -3.627 1.00 0.00 H new ATOM 0 HG21 THR A 42 -24.262 0.924 -2.893 1.00 0.00 H new ATOM 0 HG22 THR A 42 -23.024 2.193 -3.045 1.00 0.00 H new ATOM 0 HG23 THR A 42 -24.317 2.352 -1.833 1.00 0.00 H new ATOM 604 N GLY A 43 -27.144 5.061 -3.490 1.00 0.00 N ATOM 605 CA GLY A 43 -28.183 5.981 -3.030 1.00 0.00 C ATOM 606 C GLY A 43 -28.076 6.299 -1.541 1.00 0.00 C ATOM 607 O GLY A 43 -27.992 7.468 -1.163 1.00 0.00 O ATOM 0 H GLY A 43 -27.510 4.321 -4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -28.119 6.908 -3.600 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -29.162 5.548 -3.235 1.00 0.00 H new ATOM 611 N ASN A 44 -28.019 5.270 -0.692 1.00 0.00 N ATOM 612 CA ASN A 44 -28.076 5.414 0.765 1.00 0.00 C ATOM 613 C ASN A 44 -26.957 4.630 1.456 1.00 0.00 C ATOM 614 O ASN A 44 -27.107 4.228 2.610 1.00 0.00 O ATOM 615 CB ASN A 44 -29.454 4.989 1.307 1.00 0.00 C ATOM 616 CG ASN A 44 -30.654 5.583 0.583 1.00 0.00 C ATOM 617 OD1 ASN A 44 -31.590 4.853 0.268 1.00 0.00 O ATOM 618 ND2 ASN A 44 -30.681 6.872 0.288 1.00 0.00 N ATOM 0 H ASN A 44 -27.931 4.302 -1.001 1.00 0.00 H new ATOM 0 HA ASN A 44 -27.927 6.470 0.993 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -29.524 3.902 1.260 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -29.513 5.267 2.359 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -31.483 7.266 -0.204 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -29.900 7.472 0.553 1.00 0.00 H new ATOM 625 N SER A 45 -25.851 4.347 0.764 1.00 0.00 N ATOM 626 CA SER A 45 -24.714 3.660 1.358 1.00 0.00 C ATOM 627 C SER A 45 -23.433 4.217 0.769 1.00 0.00 C ATOM 628 O SER A 45 -23.372 4.666 -0.380 1.00 0.00 O ATOM 629 CB SER A 45 -24.858 2.150 1.138 1.00 0.00 C ATOM 630 OG SER A 45 -23.773 1.342 1.577 1.00 0.00 O ATOM 0 H SER A 45 -25.724 4.588 -0.219 1.00 0.00 H new ATOM 0 HA SER A 45 -24.679 3.827 2.435 1.00 0.00 H new ATOM 0 HB2 SER A 45 -25.762 1.815 1.647 1.00 0.00 H new ATOM 0 HB3 SER A 45 -25.008 1.972 0.073 1.00 0.00 H new ATOM 0 HG SER A 45 -23.970 0.400 1.390 1.00 0.00 H new ATOM 636 N THR A 46 -22.409 4.143 1.605 1.00 0.00 N ATOM 637 CA THR A 46 -21.026 4.425 1.302 1.00 0.00 C ATOM 638 C THR A 46 -20.162 3.510 2.176 1.00 0.00 C ATOM 639 O THR A 46 -19.762 3.897 3.274 1.00 0.00 O ATOM 640 CB THR A 46 -20.693 5.914 1.488 1.00 0.00 C ATOM 641 OG1 THR A 46 -21.263 6.465 2.663 1.00 0.00 O ATOM 642 CG2 THR A 46 -21.176 6.779 0.328 1.00 0.00 C ATOM 0 H THR A 46 -22.538 3.865 2.578 1.00 0.00 H new ATOM 0 HA THR A 46 -20.819 4.220 0.252 1.00 0.00 H new ATOM 0 HB THR A 46 -19.605 5.929 1.549 1.00 0.00 H new ATOM 0 HG1 THR A 46 -21.050 5.893 3.429 1.00 0.00 H new ATOM 0 HG21 THR A 46 -20.912 7.820 0.516 1.00 0.00 H new ATOM 0 HG22 THR A 46 -20.703 6.446 -0.596 1.00 0.00 H new ATOM 0 HG23 THR A 46 -22.258 6.690 0.234 1.00 0.00 H new ATOM 650 N LYS A 47 -19.901 2.283 1.724 1.00 0.00 N ATOM 651 CA LYS A 47 -18.860 1.462 2.342 1.00 0.00 C ATOM 652 C LYS A 47 -17.540 2.055 1.890 1.00 0.00 C ATOM 653 O LYS A 47 -17.370 2.255 0.681 1.00 0.00 O ATOM 654 CB LYS A 47 -18.926 -0.014 1.922 1.00 0.00 C ATOM 655 CG LYS A 47 -19.906 -0.848 2.763 1.00 0.00 C ATOM 656 CD LYS A 47 -19.852 -2.333 2.363 1.00 0.00 C ATOM 657 CE LYS A 47 -18.551 -3.037 2.786 1.00 0.00 C ATOM 658 NZ LYS A 47 -18.207 -4.156 1.884 1.00 0.00 N ATOM 0 H LYS A 47 -20.388 1.841 0.944 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.986 1.471 3.425 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -19.219 -0.072 0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -17.930 -0.451 2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -19.663 -0.744 3.820 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -20.919 -0.469 2.630 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -20.699 -2.853 2.811 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.964 -2.414 1.282 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -17.735 -2.315 2.795 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -18.656 -3.412 3.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.324 -4.602 2.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -18.974 -4.859 1.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -18.081 -3.796 0.917 1.00 0.00 H new ATOM 672 N ALA A 48 -16.646 2.356 2.828 1.00 0.00 N ATOM 673 CA ALA A 48 -15.268 2.654 2.481 1.00 0.00 C ATOM 674 C ALA A 48 -14.597 1.366 2.009 1.00 0.00 C ATOM 675 O ALA A 48 -15.089 0.264 2.250 1.00 0.00 O ATOM 676 CB ALA A 48 -14.524 3.268 3.670 1.00 0.00 C ATOM 0 H ALA A 48 -16.853 2.399 3.826 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.241 3.390 1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.494 3.482 3.384 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -15.017 4.193 3.969 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.530 2.567 4.505 1.00 0.00 H new ATOM 682 N LEU A 49 -13.448 1.509 1.363 1.00 0.00 N ATOM 683 CA LEU A 49 -12.488 0.471 1.090 1.00 0.00 C ATOM 684 C LEU A 49 -11.169 0.910 1.699 1.00 0.00 C ATOM 685 O LEU A 49 -10.719 2.035 1.464 1.00 0.00 O ATOM 686 CB LEU A 49 -12.283 0.315 -0.418 1.00 0.00 C ATOM 687 CG LEU A 49 -13.392 -0.356 -1.226 1.00 0.00 C ATOM 688 CD1 LEU A 49 -13.911 -1.621 -0.560 1.00 0.00 C ATOM 689 CD2 LEU A 49 -14.551 0.564 -1.604 1.00 0.00 C ATOM 0 H LEU A 49 -13.151 2.413 0.996 1.00 0.00 H new ATOM 0 HA LEU A 49 -12.839 -0.475 1.502 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.118 1.308 -0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.366 -0.253 -0.573 1.00 0.00 H new ATOM 0 HG LEU A 49 -12.905 -0.629 -2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -14.698 -2.059 -1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.095 -2.336 -0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -14.313 -1.376 0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.290 0.002 -2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.014 0.957 -0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.177 1.391 -2.208 1.00 0.00 H new ATOM 701 N SER A 50 -10.541 -0.004 2.429 1.00 0.00 N ATOM 702 CA SER A 50 -9.171 0.152 2.882 1.00 0.00 C ATOM 703 C SER A 50 -8.198 -0.126 1.725 1.00 0.00 C ATOM 704 O SER A 50 -8.594 -0.510 0.614 1.00 0.00 O ATOM 705 CB SER A 50 -8.964 -0.771 4.091 1.00 0.00 C ATOM 706 OG SER A 50 -9.953 -0.470 5.063 1.00 0.00 O ATOM 0 H SER A 50 -10.974 -0.879 2.723 1.00 0.00 H new ATOM 0 HA SER A 50 -8.969 1.175 3.201 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.037 -1.815 3.787 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.967 -0.630 4.509 1.00 0.00 H new ATOM 0 HG SER A 50 -9.835 -1.053 5.842 1.00 0.00 H new ATOM 712 N TRP A 51 -6.913 0.101 1.981 1.00 0.00 N ATOM 713 CA TRP A 51 -5.803 -0.143 1.079 1.00 0.00 C ATOM 714 C TRP A 51 -4.578 -0.477 1.922 1.00 0.00 C ATOM 715 O TRP A 51 -4.579 -0.316 3.141 1.00 0.00 O ATOM 716 CB TRP A 51 -5.575 1.108 0.209 1.00 0.00 C ATOM 717 CG TRP A 51 -5.021 2.316 0.901 1.00 0.00 C ATOM 718 CD1 TRP A 51 -3.736 2.477 1.292 1.00 0.00 C ATOM 719 CD2 TRP A 51 -5.707 3.540 1.294 1.00 0.00 C ATOM 720 NE1 TRP A 51 -3.583 3.695 1.916 1.00 0.00 N ATOM 721 CE2 TRP A 51 -4.762 4.402 1.924 1.00 0.00 C ATOM 722 CE3 TRP A 51 -7.029 4.015 1.176 1.00 0.00 C ATOM 723 CZ2 TRP A 51 -5.107 5.670 2.403 1.00 0.00 C ATOM 724 CZ3 TRP A 51 -7.383 5.294 1.644 1.00 0.00 C ATOM 725 CH2 TRP A 51 -6.427 6.120 2.251 1.00 0.00 C ATOM 0 H TRP A 51 -6.606 0.482 2.876 1.00 0.00 H new ATOM 0 HA TRP A 51 -6.008 -0.978 0.409 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -4.898 0.840 -0.602 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.526 1.383 -0.247 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -2.946 1.756 1.138 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -2.708 4.029 2.320 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -7.781 3.388 0.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -4.368 6.294 2.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -8.400 5.642 1.535 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.707 7.103 2.602 1.00 0.00 H new ATOM 736 N ASN A 52 -3.518 -0.898 1.249 1.00 0.00 N ATOM 737 CA ASN A 52 -2.219 -1.240 1.810 1.00 0.00 C ATOM 738 C ASN A 52 -1.154 -0.755 0.828 1.00 0.00 C ATOM 739 O ASN A 52 -1.484 -0.278 -0.265 1.00 0.00 O ATOM 740 CB ASN A 52 -2.132 -2.761 2.018 1.00 0.00 C ATOM 741 CG ASN A 52 -2.391 -3.485 0.705 1.00 0.00 C ATOM 742 OD1 ASN A 52 -3.533 -3.724 0.338 1.00 0.00 O ATOM 743 ND2 ASN A 52 -1.381 -3.793 -0.080 1.00 0.00 N ATOM 0 H ASN A 52 -3.543 -1.017 0.236 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.068 -0.766 2.780 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.147 -3.028 2.401 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.860 -3.076 2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.554 -4.227 -0.987 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.425 -3.597 0.218 1.00 0.00 H new ATOM 750 N ALA A 53 0.117 -0.881 1.209 1.00 0.00 N ATOM 751 CA ALA A 53 1.264 -0.591 0.365 1.00 0.00 C ATOM 752 C ALA A 53 2.301 -1.696 0.510 1.00 0.00 C ATOM 753 O ALA A 53 2.230 -2.491 1.450 1.00 0.00 O ATOM 754 CB ALA A 53 1.886 0.754 0.750 1.00 0.00 C ATOM 0 H ALA A 53 0.379 -1.198 2.143 1.00 0.00 H new ATOM 0 HA ALA A 53 0.931 -0.539 -0.671 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.744 0.955 0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.147 1.545 0.627 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.211 0.720 1.790 1.00 0.00 H new ATOM 760 N SER A 54 3.278 -1.688 -0.390 1.00 0.00 N ATOM 761 CA SER A 54 4.561 -2.352 -0.223 1.00 0.00 C ATOM 762 C SER A 54 5.593 -1.667 -1.126 1.00 0.00 C ATOM 763 O SER A 54 5.242 -1.144 -2.189 1.00 0.00 O ATOM 764 CB SER A 54 4.415 -3.857 -0.490 1.00 0.00 C ATOM 765 OG SER A 54 3.665 -4.158 -1.660 1.00 0.00 O ATOM 0 H SER A 54 3.194 -1.203 -1.283 1.00 0.00 H new ATOM 0 HA SER A 54 4.917 -2.262 0.803 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.407 -4.299 -0.581 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.935 -4.325 0.369 1.00 0.00 H new ATOM 0 HG SER A 54 3.611 -5.130 -1.773 1.00 0.00 H new ATOM 771 N GLY A 55 6.855 -1.655 -0.702 1.00 0.00 N ATOM 772 CA GLY A 55 7.956 -0.950 -1.342 1.00 0.00 C ATOM 773 C GLY A 55 9.072 -0.705 -0.329 1.00 0.00 C ATOM 774 O GLY A 55 9.352 -1.585 0.488 1.00 0.00 O ATOM 0 H GLY A 55 7.148 -2.160 0.135 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.335 -1.534 -2.181 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.605 -0.001 -1.747 1.00 0.00 H new ATOM 778 N ASP A 56 9.719 0.463 -0.400 1.00 0.00 N ATOM 779 CA ASP A 56 10.904 0.805 0.403 1.00 0.00 C ATOM 780 C ASP A 56 10.608 0.616 1.890 1.00 0.00 C ATOM 781 O ASP A 56 9.569 1.067 2.376 1.00 0.00 O ATOM 782 CB ASP A 56 11.378 2.247 0.141 1.00 0.00 C ATOM 783 CG ASP A 56 12.680 2.327 -0.657 1.00 0.00 C ATOM 784 OD1 ASP A 56 13.750 1.924 -0.146 1.00 0.00 O ATOM 785 OD2 ASP A 56 12.640 2.749 -1.841 1.00 0.00 O ATOM 0 H ASP A 56 9.431 1.213 -1.028 1.00 0.00 H new ATOM 0 HA ASP A 56 11.707 0.131 0.104 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.598 2.785 -0.397 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.515 2.755 1.096 1.00 0.00 H new ATOM 790 N SER A 57 11.515 -0.040 2.613 1.00 0.00 N ATOM 791 CA SER A 57 11.332 -0.556 3.970 1.00 0.00 C ATOM 792 C SER A 57 11.230 0.519 5.067 1.00 0.00 C ATOM 793 O SER A 57 11.146 0.171 6.247 1.00 0.00 O ATOM 794 CB SER A 57 12.490 -1.523 4.247 1.00 0.00 C ATOM 795 OG SER A 57 12.510 -2.525 3.242 1.00 0.00 O ATOM 0 H SER A 57 12.447 -0.236 2.249 1.00 0.00 H new ATOM 0 HA SER A 57 10.364 -1.056 4.011 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.437 -0.983 4.258 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.372 -1.979 5.230 1.00 0.00 H new ATOM 0 HG SER A 57 13.249 -3.145 3.413 1.00 0.00 H new ATOM 801 N TRP A 58 11.244 1.799 4.699 1.00 0.00 N ATOM 802 CA TRP A 58 11.175 2.968 5.572 1.00 0.00 C ATOM 803 C TRP A 58 9.919 3.807 5.284 1.00 0.00 C ATOM 804 O TRP A 58 9.842 4.950 5.725 1.00 0.00 O ATOM 805 CB TRP A 58 12.477 3.776 5.412 1.00 0.00 C ATOM 806 CG TRP A 58 12.883 4.091 3.997 1.00 0.00 C ATOM 807 CD1 TRP A 58 13.534 3.255 3.157 1.00 0.00 C ATOM 808 CD2 TRP A 58 12.628 5.302 3.223 1.00 0.00 C ATOM 809 NE1 TRP A 58 13.715 3.867 1.935 1.00 0.00 N ATOM 810 CE2 TRP A 58 13.145 5.123 1.904 1.00 0.00 C ATOM 811 CE3 TRP A 58 11.980 6.521 3.492 1.00 0.00 C ATOM 812 CZ2 TRP A 58 13.006 6.099 0.902 1.00 0.00 C ATOM 813 CZ3 TRP A 58 11.866 7.523 2.513 1.00 0.00 C ATOM 814 CH2 TRP A 58 12.384 7.319 1.222 1.00 0.00 C ATOM 0 H TRP A 58 11.308 2.064 3.716 1.00 0.00 H new ATOM 0 HA TRP A 58 11.087 2.653 6.612 1.00 0.00 H new ATOM 0 HB2 TRP A 58 12.369 4.714 5.956 1.00 0.00 H new ATOM 0 HB3 TRP A 58 13.287 3.222 5.888 1.00 0.00 H new ATOM 0 HD1 TRP A 58 13.863 2.257 3.406 1.00 0.00 H new ATOM 0 HE1 TRP A 58 14.210 3.443 1.150 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.561 6.691 4.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.371 5.915 -0.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 11.377 8.456 2.754 1.00 0.00 H new ATOM 0 HH2 TRP A 58 12.304 8.097 0.478 1.00 0.00 H new ATOM 825 N ILE A 59 8.946 3.268 4.535 1.00 0.00 N ATOM 826 CA ILE A 59 7.720 3.950 4.127 1.00 0.00 C ATOM 827 C ILE A 59 6.561 3.029 4.493 1.00 0.00 C ATOM 828 O ILE A 59 6.275 2.064 3.777 1.00 0.00 O ATOM 829 CB ILE A 59 7.728 4.283 2.618 1.00 0.00 C ATOM 830 CG1 ILE A 59 8.992 5.057 2.203 1.00 0.00 C ATOM 831 CG2 ILE A 59 6.446 5.066 2.249 1.00 0.00 C ATOM 832 CD1 ILE A 59 9.129 5.204 0.693 1.00 0.00 C ATOM 0 H ILE A 59 8.998 2.311 4.187 1.00 0.00 H new ATOM 0 HA ILE A 59 7.626 4.908 4.639 1.00 0.00 H new ATOM 0 HB ILE A 59 7.743 3.344 2.064 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.972 6.047 2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.871 4.544 2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.456 5.299 1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.570 4.460 2.480 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.408 5.992 2.823 1.00 0.00 H new ATOM 0 HD11 ILE A 59 10.039 5.758 0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 59 9.180 4.216 0.234 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.267 5.743 0.300 1.00 0.00 H new ATOM 844 N HIS A 60 5.916 3.296 5.622 1.00 0.00 N ATOM 845 CA HIS A 60 4.802 2.498 6.099 1.00 0.00 C ATOM 846 C HIS A 60 3.510 3.104 5.567 1.00 0.00 C ATOM 847 O HIS A 60 3.354 4.326 5.534 1.00 0.00 O ATOM 848 CB HIS A 60 4.787 2.485 7.628 1.00 0.00 C ATOM 849 CG HIS A 60 6.066 1.963 8.228 1.00 0.00 C ATOM 850 ND1 HIS A 60 6.305 0.663 8.615 1.00 0.00 N ATOM 851 CD2 HIS A 60 7.204 2.689 8.455 1.00 0.00 C ATOM 852 CE1 HIS A 60 7.564 0.602 9.080 1.00 0.00 C ATOM 853 NE2 HIS A 60 8.149 1.808 8.994 1.00 0.00 N ATOM 0 H HIS A 60 6.155 4.077 6.233 1.00 0.00 H new ATOM 0 HA HIS A 60 4.901 1.471 5.747 1.00 0.00 H new ATOM 0 HB2 HIS A 60 4.609 3.497 7.992 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.955 1.871 7.972 1.00 0.00 H new ATOM 0 HD2 HIS A 60 7.346 3.741 8.256 1.00 0.00 H new ATOM 0 HE1 HIS A 60 8.037 -0.288 9.467 1.00 0.00 H new ATOM 0 HE2 HIS A 60 9.103 2.039 9.270 1.00 0.00 H new ATOM 861 N VAL A 61 2.536 2.259 5.240 1.00 0.00 N ATOM 862 CA VAL A 61 1.174 2.708 4.995 1.00 0.00 C ATOM 863 C VAL A 61 0.257 1.769 5.774 1.00 0.00 C ATOM 864 O VAL A 61 0.512 0.568 5.897 1.00 0.00 O ATOM 865 CB VAL A 61 0.877 2.771 3.482 1.00 0.00 C ATOM 866 CG1 VAL A 61 -0.503 3.377 3.183 1.00 0.00 C ATOM 867 CG2 VAL A 61 1.920 3.605 2.710 1.00 0.00 C ATOM 0 H VAL A 61 2.669 1.253 5.139 1.00 0.00 H new ATOM 0 HA VAL A 61 1.009 3.728 5.343 1.00 0.00 H new ATOM 0 HB VAL A 61 0.911 1.733 3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.665 3.400 2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.277 2.770 3.653 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.548 4.392 3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.664 3.617 1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.926 4.625 3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.908 3.163 2.840 1.00 0.00 H new ATOM 877 N ASN A 62 -0.813 2.325 6.324 1.00 0.00 N ATOM 878 CA ASN A 62 -1.909 1.635 6.983 1.00 0.00 C ATOM 879 C ASN A 62 -3.197 2.071 6.288 1.00 0.00 C ATOM 880 O ASN A 62 -3.149 2.991 5.468 1.00 0.00 O ATOM 881 CB ASN A 62 -1.870 1.949 8.493 1.00 0.00 C ATOM 882 CG ASN A 62 -1.330 0.748 9.257 1.00 0.00 C ATOM 883 OD1 ASN A 62 -2.078 -0.050 9.811 1.00 0.00 O ATOM 884 ND2 ASN A 62 -0.025 0.535 9.262 1.00 0.00 N ATOM 0 H ASN A 62 -0.946 3.336 6.321 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.837 0.550 6.904 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.241 2.820 8.676 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.870 2.197 8.848 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.355 -0.290 9.725 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.601 1.196 8.802 1.00 0.00 H new ATOM 891 N GLY A 63 -4.333 1.447 6.611 1.00 0.00 N ATOM 892 CA GLY A 63 -5.592 1.541 5.872 1.00 0.00 C ATOM 893 C GLY A 63 -6.121 2.950 5.611 1.00 0.00 C ATOM 894 O GLY A 63 -7.013 3.106 4.778 1.00 0.00 O ATOM 0 H GLY A 63 -4.402 0.839 7.427 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.463 1.041 4.912 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.353 0.986 6.421 1.00 0.00 H new ATOM 898 N SER A 64 -5.607 3.962 6.308 1.00 0.00 N ATOM 899 CA SER A 64 -5.834 5.369 6.018 1.00 0.00 C ATOM 900 C SER A 64 -4.627 6.255 6.377 1.00 0.00 C ATOM 901 O SER A 64 -4.715 7.471 6.223 1.00 0.00 O ATOM 902 CB SER A 64 -7.132 5.831 6.700 1.00 0.00 C ATOM 903 OG SER A 64 -7.441 5.091 7.880 1.00 0.00 O ATOM 0 H SER A 64 -5.002 3.816 7.116 1.00 0.00 H new ATOM 0 HA SER A 64 -5.952 5.481 4.940 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.045 6.888 6.954 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.958 5.739 5.995 1.00 0.00 H new ATOM 0 HG SER A 64 -8.274 5.430 8.270 1.00 0.00 H new ATOM 909 N SER A 65 -3.492 5.710 6.816 1.00 0.00 N ATOM 910 CA SER A 65 -2.438 6.471 7.496 1.00 0.00 C ATOM 911 C SER A 65 -1.081 6.228 6.826 1.00 0.00 C ATOM 912 O SER A 65 -0.871 5.167 6.234 1.00 0.00 O ATOM 913 CB SER A 65 -2.434 6.057 8.974 1.00 0.00 C ATOM 914 OG SER A 65 -3.697 6.287 9.580 1.00 0.00 O ATOM 0 H SER A 65 -3.274 4.719 6.710 1.00 0.00 H new ATOM 0 HA SER A 65 -2.630 7.542 7.426 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.176 5.001 9.057 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.665 6.616 9.508 1.00 0.00 H new ATOM 0 HG SER A 65 -3.664 6.012 10.520 1.00 0.00 H new ATOM 920 N VAL A 66 -0.151 7.184 6.923 1.00 0.00 N ATOM 921 CA VAL A 66 1.142 7.172 6.238 1.00 0.00 C ATOM 922 C VAL A 66 2.244 7.230 7.295 1.00 0.00 C ATOM 923 O VAL A 66 2.026 7.732 8.400 1.00 0.00 O ATOM 924 CB VAL A 66 1.243 8.391 5.282 1.00 0.00 C ATOM 925 CG1 VAL A 66 2.409 8.250 4.289 1.00 0.00 C ATOM 926 CG2 VAL A 66 -0.032 8.611 4.453 1.00 0.00 C ATOM 0 H VAL A 66 -0.284 8.014 7.500 1.00 0.00 H new ATOM 0 HA VAL A 66 1.248 6.264 5.644 1.00 0.00 H new ATOM 0 HB VAL A 66 1.402 9.243 5.943 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.442 9.125 3.640 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.347 8.170 4.838 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.266 7.355 3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.101 9.477 3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.227 7.728 3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.875 8.784 5.122 1.00 0.00 H new ATOM 936 N SER A 67 3.441 6.763 6.963 1.00 0.00 N ATOM 937 CA SER A 67 4.684 7.200 7.564 1.00 0.00 C ATOM 938 C SER A 67 5.754 7.106 6.495 1.00 0.00 C ATOM 939 O SER A 67 5.711 6.220 5.635 1.00 0.00 O ATOM 940 CB SER A 67 4.987 6.360 8.818 1.00 0.00 C ATOM 941 OG SER A 67 6.234 5.711 8.878 1.00 0.00 O ATOM 0 H SER A 67 3.572 6.049 6.247 1.00 0.00 H new ATOM 0 HA SER A 67 4.633 8.232 7.911 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.905 7.012 9.688 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.209 5.603 8.912 1.00 0.00 H new ATOM 0 HG SER A 67 6.304 5.214 9.720 1.00 0.00 H new ATOM 947 N TYR A 68 6.750 7.970 6.603 1.00 0.00 N ATOM 948 CA TYR A 68 8.091 7.616 6.212 1.00 0.00 C ATOM 949 C TYR A 68 9.047 8.297 7.171 1.00 0.00 C ATOM 950 O TYR A 68 8.719 9.322 7.777 1.00 0.00 O ATOM 951 CB TYR A 68 8.365 7.974 4.749 1.00 0.00 C ATOM 952 CG TYR A 68 7.906 9.349 4.310 1.00 0.00 C ATOM 953 CD1 TYR A 68 8.735 10.470 4.495 1.00 0.00 C ATOM 954 CD2 TYR A 68 6.658 9.489 3.673 1.00 0.00 C ATOM 955 CE1 TYR A 68 8.311 11.736 4.056 1.00 0.00 C ATOM 956 CE2 TYR A 68 6.238 10.745 3.208 1.00 0.00 C ATOM 957 CZ TYR A 68 7.060 11.878 3.416 1.00 0.00 C ATOM 958 OH TYR A 68 6.654 13.112 3.013 1.00 0.00 O ATOM 0 H TYR A 68 6.648 8.920 6.959 1.00 0.00 H new ATOM 0 HA TYR A 68 8.231 6.537 6.272 1.00 0.00 H new ATOM 0 HB2 TYR A 68 9.437 7.895 4.570 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.881 7.231 4.116 1.00 0.00 H new ATOM 0 HD1 TYR A 68 9.696 10.358 4.974 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.021 8.626 3.542 1.00 0.00 H new ATOM 0 HE1 TYR A 68 8.941 12.600 4.208 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.293 10.846 2.695 1.00 0.00 H new ATOM 0 HH TYR A 68 5.773 13.044 2.589 1.00 0.00 H new ATOM 968 N ASP A 69 10.227 7.711 7.301 1.00 0.00 N ATOM 969 CA ASP A 69 11.364 8.352 7.946 1.00 0.00 C ATOM 970 C ASP A 69 12.276 8.952 6.879 1.00 0.00 C ATOM 971 O ASP A 69 12.029 8.810 5.678 1.00 0.00 O ATOM 972 CB ASP A 69 12.081 7.348 8.860 1.00 0.00 C ATOM 973 CG ASP A 69 11.523 7.500 10.270 1.00 0.00 C ATOM 974 OD1 ASP A 69 11.989 8.417 10.988 1.00 0.00 O ATOM 975 OD2 ASP A 69 10.607 6.740 10.650 1.00 0.00 O ATOM 0 H ASP A 69 10.425 6.770 6.960 1.00 0.00 H new ATOM 0 HA ASP A 69 11.033 9.171 8.585 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.929 6.331 8.499 1.00 0.00 H new ATOM 0 HB3 ASP A 69 13.156 7.531 8.855 1.00 0.00 H new ATOM 980 N GLU A 70 13.330 9.651 7.300 1.00 0.00 N ATOM 981 CA GLU A 70 14.317 10.171 6.365 1.00 0.00 C ATOM 982 C GLU A 70 15.387 9.107 6.081 1.00 0.00 C ATOM 983 O GLU A 70 15.463 8.065 6.746 1.00 0.00 O ATOM 984 CB GLU A 70 14.891 11.498 6.872 1.00 0.00 C ATOM 985 CG GLU A 70 15.361 12.379 5.700 1.00 0.00 C ATOM 986 CD GLU A 70 15.698 13.808 6.109 1.00 0.00 C ATOM 987 OE1 GLU A 70 16.168 14.003 7.256 1.00 0.00 O ATOM 988 OE2 GLU A 70 15.462 14.719 5.289 1.00 0.00 O ATOM 0 H GLU A 70 13.518 9.867 8.279 1.00 0.00 H new ATOM 0 HA GLU A 70 13.841 10.394 5.410 1.00 0.00 H new ATOM 0 HB2 GLU A 70 14.134 12.029 7.450 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.727 11.304 7.544 1.00 0.00 H new ATOM 0 HG2 GLU A 70 16.240 11.924 5.243 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.582 12.402 4.938 1.00 0.00 H new ATOM 995 N ASN A 71 16.212 9.360 5.066 1.00 0.00 N ATOM 996 CA ASN A 71 17.361 8.536 4.717 1.00 0.00 C ATOM 997 C ASN A 71 18.476 8.694 5.783 1.00 0.00 C ATOM 998 O ASN A 71 18.428 9.599 6.614 1.00 0.00 O ATOM 999 CB ASN A 71 17.805 8.862 3.270 1.00 0.00 C ATOM 1000 CG ASN A 71 18.704 10.086 3.129 1.00 0.00 C ATOM 1001 OD1 ASN A 71 18.897 10.847 4.061 1.00 0.00 O ATOM 1002 ND2 ASN A 71 19.295 10.303 1.967 1.00 0.00 N ATOM 0 H ASN A 71 16.094 10.165 4.450 1.00 0.00 H new ATOM 0 HA ASN A 71 17.100 7.478 4.726 1.00 0.00 H new ATOM 0 HB2 ASN A 71 18.329 7.997 2.864 1.00 0.00 H new ATOM 0 HB3 ASN A 71 16.915 9.012 2.659 1.00 0.00 H new ATOM 0 HD21 ASN A 71 19.912 11.107 1.851 1.00 0.00 H new ATOM 0 HD22 ASN A 71 19.134 9.667 1.186 1.00 0.00 H new ATOM 1009 N PRO A 72 19.480 7.799 5.794 1.00 0.00 N ATOM 1010 CA PRO A 72 20.526 7.784 6.812 1.00 0.00 C ATOM 1011 C PRO A 72 21.808 8.534 6.413 1.00 0.00 C ATOM 1012 O PRO A 72 22.766 8.550 7.189 1.00 0.00 O ATOM 1013 CB PRO A 72 20.858 6.295 6.966 1.00 0.00 C ATOM 1014 CG PRO A 72 20.734 5.805 5.525 1.00 0.00 C ATOM 1015 CD PRO A 72 19.527 6.573 5.010 1.00 0.00 C ATOM 0 HA PRO A 72 20.174 8.283 7.715 1.00 0.00 H new ATOM 0 HB2 PRO A 72 21.859 6.137 7.368 1.00 0.00 H new ATOM 0 HB3 PRO A 72 20.162 5.786 7.634 1.00 0.00 H new ATOM 0 HG2 PRO A 72 21.630 6.024 4.945 1.00 0.00 H new ATOM 0 HG3 PRO A 72 20.578 4.727 5.476 1.00 0.00 H new ATOM 0 HD2 PRO A 72 19.626 6.791 3.947 1.00 0.00 H new ATOM 0 HD3 PRO A 72 18.612 5.994 5.133 1.00 0.00 H new ATOM 1023 N ALA A 73 21.902 9.045 5.180 1.00 0.00 N ATOM 1024 CA ALA A 73 23.127 9.635 4.640 1.00 0.00 C ATOM 1025 C ALA A 73 22.840 10.896 3.828 1.00 0.00 C ATOM 1026 O ALA A 73 21.724 11.105 3.369 1.00 0.00 O ATOM 1027 CB ALA A 73 23.848 8.598 3.776 1.00 0.00 C ATOM 0 H ALA A 73 21.121 9.060 4.525 1.00 0.00 H new ATOM 0 HA ALA A 73 23.763 9.928 5.475 1.00 0.00 H new ATOM 0 HB1 ALA A 73 24.762 9.033 3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 73 24.099 7.729 4.384 1.00 0.00 H new ATOM 0 HB3 ALA A 73 23.198 8.292 2.956 1.00 0.00 H new ATOM 1033 N LYS A 74 23.866 11.695 3.515 1.00 0.00 N ATOM 1034 CA LYS A 74 23.725 12.982 2.832 1.00 0.00 C ATOM 1035 C LYS A 74 23.645 12.820 1.312 1.00 0.00 C ATOM 1036 O LYS A 74 24.081 13.688 0.558 1.00 0.00 O ATOM 1037 CB LYS A 74 24.796 13.968 3.301 1.00 0.00 C ATOM 1038 CG LYS A 74 26.242 13.504 3.084 1.00 0.00 C ATOM 1039 CD LYS A 74 27.099 14.553 2.356 1.00 0.00 C ATOM 1040 CE LYS A 74 28.488 14.682 2.986 1.00 0.00 C ATOM 1041 NZ LYS A 74 28.438 15.440 4.256 1.00 0.00 N ATOM 0 H LYS A 74 24.834 11.460 3.734 1.00 0.00 H new ATOM 0 HA LYS A 74 22.768 13.420 3.115 1.00 0.00 H new ATOM 0 HB2 LYS A 74 24.651 14.914 2.779 1.00 0.00 H new ATOM 0 HB3 LYS A 74 24.648 14.164 4.363 1.00 0.00 H new ATOM 0 HG2 LYS A 74 26.695 13.277 4.049 1.00 0.00 H new ATOM 0 HG3 LYS A 74 26.240 12.579 2.507 1.00 0.00 H new ATOM 0 HD2 LYS A 74 27.199 14.277 1.306 1.00 0.00 H new ATOM 0 HD3 LYS A 74 26.595 15.519 2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 74 28.899 13.689 3.169 1.00 0.00 H new ATOM 0 HE3 LYS A 74 29.160 15.182 2.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 29.395 15.509 4.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 28.068 16.395 4.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 27.816 14.949 4.929 1.00 0.00 H new ATOM 1055 N GLU A 75 23.091 11.701 0.856 1.00 0.00 N ATOM 1056 CA GLU A 75 22.877 11.406 -0.549 1.00 0.00 C ATOM 1057 C GLU A 75 21.405 11.646 -0.900 1.00 0.00 C ATOM 1058 O GLU A 75 20.639 12.156 -0.079 1.00 0.00 O ATOM 1059 CB GLU A 75 23.389 9.998 -0.874 1.00 0.00 C ATOM 1060 CG GLU A 75 24.916 9.897 -0.760 1.00 0.00 C ATOM 1061 CD GLU A 75 25.416 8.610 -1.414 1.00 0.00 C ATOM 1062 OE1 GLU A 75 25.542 8.570 -2.658 1.00 0.00 O ATOM 1063 OE2 GLU A 75 25.675 7.611 -0.703 1.00 0.00 O ATOM 0 H GLU A 75 22.771 10.956 1.475 1.00 0.00 H new ATOM 0 HA GLU A 75 23.454 12.079 -1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 75 22.927 9.280 -0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 75 23.083 9.726 -1.884 1.00 0.00 H new ATOM 0 HG2 GLU A 75 25.380 10.759 -1.238 1.00 0.00 H new ATOM 0 HG3 GLU A 75 25.211 9.917 0.289 1.00 0.00 H new ATOM 1070 N ARG A 76 21.010 11.344 -2.138 1.00 0.00 N ATOM 1071 CA ARG A 76 19.652 11.549 -2.646 1.00 0.00 C ATOM 1072 C ARG A 76 18.964 10.237 -2.948 1.00 0.00 C ATOM 1073 O ARG A 76 19.455 9.446 -3.751 1.00 0.00 O ATOM 1074 CB ARG A 76 19.669 12.484 -3.859 1.00 0.00 C ATOM 1075 CG ARG A 76 18.309 12.571 -4.560 1.00 0.00 C ATOM 1076 CD ARG A 76 18.145 13.796 -5.459 1.00 0.00 C ATOM 1077 NE ARG A 76 19.115 13.816 -6.561 1.00 0.00 N ATOM 1078 CZ ARG A 76 19.293 14.815 -7.427 1.00 0.00 C ATOM 1079 NH1 ARG A 76 18.573 15.931 -7.345 1.00 0.00 N ATOM 1080 NH2 ARG A 76 20.210 14.679 -8.374 1.00 0.00 N ATOM 0 H ARG A 76 21.640 10.941 -2.832 1.00 0.00 H new ATOM 0 HA ARG A 76 19.066 12.031 -1.864 1.00 0.00 H new ATOM 0 HB2 ARG A 76 19.972 13.481 -3.539 1.00 0.00 H new ATOM 0 HB3 ARG A 76 20.418 12.136 -4.570 1.00 0.00 H new ATOM 0 HG2 ARG A 76 18.164 11.672 -5.159 1.00 0.00 H new ATOM 0 HG3 ARG A 76 17.523 12.581 -3.805 1.00 0.00 H new ATOM 0 HD2 ARG A 76 17.135 13.811 -5.868 1.00 0.00 H new ATOM 0 HD3 ARG A 76 18.260 14.700 -4.861 1.00 0.00 H new ATOM 0 HE ARG A 76 19.706 12.992 -6.675 1.00 0.00 H new ATOM 0 HH11 ARG A 76 17.872 16.033 -6.611 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.722 16.685 -8.016 1.00 0.00 H new ATOM 0 HH21 ARG A 76 20.762 13.823 -8.430 1.00 0.00 H new ATOM 0 HH22 ARG A 76 20.363 15.430 -9.047 1.00 0.00 H new ATOM 1094 N ARG A 77 17.773 10.049 -2.396 1.00 0.00 N ATOM 1095 CA ARG A 77 16.952 8.865 -2.621 1.00 0.00 C ATOM 1096 C ARG A 77 15.506 9.176 -2.289 1.00 0.00 C ATOM 1097 O ARG A 77 15.111 9.138 -1.124 1.00 0.00 O ATOM 1098 CB ARG A 77 17.462 7.674 -1.775 1.00 0.00 C ATOM 1099 CG ARG A 77 18.178 6.580 -2.578 1.00 0.00 C ATOM 1100 CD ARG A 77 17.213 5.868 -3.543 1.00 0.00 C ATOM 1101 NE ARG A 77 17.696 4.532 -3.924 1.00 0.00 N ATOM 1102 CZ ARG A 77 16.921 3.551 -4.404 1.00 0.00 C ATOM 1103 NH1 ARG A 77 15.722 3.790 -4.919 1.00 0.00 N ATOM 1104 NH2 ARG A 77 17.324 2.295 -4.349 1.00 0.00 N ATOM 0 H ARG A 77 17.342 10.727 -1.768 1.00 0.00 H new ATOM 0 HA ARG A 77 17.022 8.583 -3.671 1.00 0.00 H new ATOM 0 HB2 ARG A 77 18.144 8.052 -1.013 1.00 0.00 H new ATOM 0 HB3 ARG A 77 16.616 7.228 -1.252 1.00 0.00 H new ATOM 0 HG2 ARG A 77 19.000 7.020 -3.142 1.00 0.00 H new ATOM 0 HG3 ARG A 77 18.614 5.852 -1.894 1.00 0.00 H new ATOM 0 HD2 ARG A 77 16.233 5.778 -3.074 1.00 0.00 H new ATOM 0 HD3 ARG A 77 17.084 6.475 -4.439 1.00 0.00 H new ATOM 0 HE ARG A 77 18.692 4.339 -3.815 1.00 0.00 H new ATOM 0 HH11 ARG A 77 15.365 4.745 -4.958 1.00 0.00 H new ATOM 0 HH12 ARG A 77 15.157 3.019 -5.276 1.00 0.00 H new ATOM 0 HH21 ARG A 77 18.230 2.068 -3.939 1.00 0.00 H new ATOM 0 HH22 ARG A 77 16.729 1.552 -4.716 1.00 0.00 H new ATOM 1118 N THR A 78 14.698 9.375 -3.327 1.00 0.00 N ATOM 1119 CA THR A 78 13.281 9.141 -3.175 1.00 0.00 C ATOM 1120 C THR A 78 13.087 7.653 -2.905 1.00 0.00 C ATOM 1121 O THR A 78 13.817 6.813 -3.444 1.00 0.00 O ATOM 1122 CB THR A 78 12.499 9.670 -4.391 1.00 0.00 C ATOM 1123 OG1 THR A 78 11.096 9.644 -4.182 1.00 0.00 O ATOM 1124 CG2 THR A 78 12.748 8.913 -5.696 1.00 0.00 C ATOM 0 H THR A 78 14.995 9.688 -4.251 1.00 0.00 H new ATOM 0 HA THR A 78 12.874 9.695 -2.329 1.00 0.00 H new ATOM 0 HB THR A 78 12.877 10.688 -4.490 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.810 8.725 -3.999 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.154 9.358 -6.494 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.805 8.972 -5.955 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.462 7.869 -5.571 1.00 0.00 H new ATOM 1132 N GLY A 79 12.044 7.326 -2.155 1.00 0.00 N ATOM 1133 CA GLY A 79 11.408 6.025 -2.228 1.00 0.00 C ATOM 1134 C GLY A 79 10.313 6.072 -3.286 1.00 0.00 C ATOM 1135 O GLY A 79 10.095 7.119 -3.911 1.00 0.00 O ATOM 0 H GLY A 79 11.617 7.959 -1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.142 5.260 -2.479 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.986 5.757 -1.260 1.00 0.00 H new ATOM 1139 N LEU A 80 9.658 4.937 -3.532 1.00 0.00 N ATOM 1140 CA LEU A 80 8.519 4.838 -4.439 1.00 0.00 C ATOM 1141 C LEU A 80 7.743 3.540 -4.161 1.00 0.00 C ATOM 1142 O LEU A 80 7.983 2.516 -4.819 1.00 0.00 O ATOM 1143 CB LEU A 80 9.014 4.812 -5.892 1.00 0.00 C ATOM 1144 CG LEU A 80 7.840 4.838 -6.891 1.00 0.00 C ATOM 1145 CD1 LEU A 80 7.598 6.266 -7.383 1.00 0.00 C ATOM 1146 CD2 LEU A 80 8.141 3.922 -8.071 1.00 0.00 C ATOM 0 H LEU A 80 9.909 4.048 -3.099 1.00 0.00 H new ATOM 0 HA LEU A 80 7.870 5.699 -4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.664 5.668 -6.071 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.613 3.917 -6.057 1.00 0.00 H new ATOM 0 HG LEU A 80 6.940 4.484 -6.388 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.767 6.272 -8.088 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.359 6.908 -6.535 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.496 6.638 -7.877 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.307 3.946 -8.772 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.047 4.261 -8.573 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.285 2.903 -7.713 1.00 0.00 H new ATOM 1158 N VAL A 81 6.818 3.544 -3.204 1.00 0.00 N ATOM 1159 CA VAL A 81 6.067 2.319 -2.919 1.00 0.00 C ATOM 1160 C VAL A 81 4.932 2.114 -3.939 1.00 0.00 C ATOM 1161 O VAL A 81 4.628 3.009 -4.734 1.00 0.00 O ATOM 1162 CB VAL A 81 5.615 2.254 -1.443 1.00 0.00 C ATOM 1163 CG1 VAL A 81 6.773 2.558 -0.489 1.00 0.00 C ATOM 1164 CG2 VAL A 81 4.462 3.193 -1.100 1.00 0.00 C ATOM 0 H VAL A 81 6.574 4.350 -2.629 1.00 0.00 H new ATOM 0 HA VAL A 81 6.734 1.466 -3.046 1.00 0.00 H new ATOM 0 HB VAL A 81 5.264 1.230 -1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.420 2.504 0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.569 1.828 -0.639 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.156 3.559 -0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.206 3.085 -0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.760 4.223 -1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.595 2.943 -1.711 1.00 0.00 H new ATOM 1174 N THR A 82 4.305 0.941 -3.924 1.00 0.00 N ATOM 1175 CA THR A 82 3.142 0.556 -4.717 1.00 0.00 C ATOM 1176 C THR A 82 1.995 0.273 -3.739 1.00 0.00 C ATOM 1177 O THR A 82 2.248 -0.103 -2.596 1.00 0.00 O ATOM 1178 CB THR A 82 3.527 -0.686 -5.543 1.00 0.00 C ATOM 1179 OG1 THR A 82 4.516 -0.346 -6.502 1.00 0.00 O ATOM 1180 CG2 THR A 82 2.346 -1.352 -6.260 1.00 0.00 C ATOM 0 H THR A 82 4.617 0.184 -3.316 1.00 0.00 H new ATOM 0 HA THR A 82 2.821 1.335 -5.408 1.00 0.00 H new ATOM 0 HB THR A 82 3.909 -1.410 -4.824 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.756 -1.142 -7.021 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.701 -2.218 -6.819 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.608 -1.672 -5.525 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.889 -0.640 -6.947 1.00 0.00 H new ATOM 1188 N LEU A 83 0.736 0.432 -4.170 1.00 0.00 N ATOM 1189 CA LEU A 83 -0.456 0.268 -3.337 1.00 0.00 C ATOM 1190 C LEU A 83 -1.541 -0.530 -4.073 1.00 0.00 C ATOM 1191 O LEU A 83 -1.504 -0.620 -5.302 1.00 0.00 O ATOM 1192 CB LEU A 83 -0.979 1.660 -2.921 1.00 0.00 C ATOM 1193 CG LEU A 83 -0.027 2.434 -1.984 1.00 0.00 C ATOM 1194 CD1 LEU A 83 0.923 3.426 -2.663 1.00 0.00 C ATOM 1195 CD2 LEU A 83 -0.812 3.200 -0.921 1.00 0.00 C ATOM 0 H LEU A 83 0.516 0.685 -5.133 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.191 -0.298 -2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.152 2.255 -3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.943 1.542 -2.426 1.00 0.00 H new ATOM 0 HG LEU A 83 0.593 1.647 -1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.543 3.911 -1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.560 2.894 -3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.343 4.180 -3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.119 3.737 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.481 3.911 -1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.397 2.499 -0.325 1.00 0.00 H new ATOM 1207 N LYS A 84 -2.538 -1.062 -3.350 1.00 0.00 N ATOM 1208 CA LYS A 84 -3.794 -1.620 -3.884 1.00 0.00 C ATOM 1209 C LYS A 84 -4.911 -1.291 -2.901 1.00 0.00 C ATOM 1210 O LYS A 84 -4.657 -1.223 -1.702 1.00 0.00 O ATOM 1211 CB LYS A 84 -3.713 -3.145 -4.080 1.00 0.00 C ATOM 1212 CG LYS A 84 -4.735 -3.528 -5.164 1.00 0.00 C ATOM 1213 CD LYS A 84 -5.074 -5.019 -5.231 1.00 0.00 C ATOM 1214 CE LYS A 84 -6.279 -5.136 -6.168 1.00 0.00 C ATOM 1215 NZ LYS A 84 -6.897 -6.476 -6.158 1.00 0.00 N ATOM 0 H LYS A 84 -2.491 -1.118 -2.333 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.985 -1.179 -4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.707 -3.440 -4.380 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.932 -3.663 -3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.654 -2.969 -4.990 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.349 -3.214 -6.134 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.229 -5.595 -5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.310 -5.410 -4.241 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.027 -4.396 -5.882 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.966 -4.895 -7.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.706 -6.490 -6.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.197 -7.184 -6.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.225 -6.700 -5.197 1.00 0.00 H new ATOM 1229 N GLN A 85 -6.103 -1.009 -3.424 1.00 0.00 N ATOM 1230 CA GLN A 85 -7.360 -0.960 -2.685 1.00 0.00 C ATOM 1231 C GLN A 85 -7.840 -2.405 -2.486 1.00 0.00 C ATOM 1232 O GLN A 85 -7.367 -3.292 -3.188 1.00 0.00 O ATOM 1233 CB GLN A 85 -8.370 -0.163 -3.542 1.00 0.00 C ATOM 1234 CG GLN A 85 -9.296 0.803 -2.780 1.00 0.00 C ATOM 1235 CD GLN A 85 -9.782 1.936 -3.695 1.00 0.00 C ATOM 1236 OE1 GLN A 85 -8.975 2.675 -4.241 1.00 0.00 O ATOM 1237 NE2 GLN A 85 -11.078 2.132 -3.894 1.00 0.00 N ATOM 0 H GLN A 85 -6.223 -0.800 -4.415 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.251 -0.481 -1.712 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.813 0.410 -4.283 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.991 -0.873 -4.088 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.153 0.256 -2.386 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.765 1.223 -1.926 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.761 1.522 -3.444 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.392 2.892 -4.497 1.00 0.00 H new ATOM 1246 N ASP A 86 -8.810 -2.624 -1.599 1.00 0.00 N ATOM 1247 CA ASP A 86 -9.406 -3.947 -1.368 1.00 0.00 C ATOM 1248 C ASP A 86 -10.184 -4.475 -2.585 1.00 0.00 C ATOM 1249 O ASP A 86 -9.652 -5.225 -3.399 1.00 0.00 O ATOM 1250 CB ASP A 86 -10.268 -3.907 -0.105 1.00 0.00 C ATOM 1251 CG ASP A 86 -10.883 -5.277 0.161 1.00 0.00 C ATOM 1252 OD1 ASP A 86 -10.129 -6.263 0.289 1.00 0.00 O ATOM 1253 OD2 ASP A 86 -12.132 -5.315 0.226 1.00 0.00 O ATOM 0 H ASP A 86 -9.209 -1.888 -1.016 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.595 -4.660 -1.218 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.662 -3.602 0.748 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.056 -3.163 -0.218 1.00 0.00 H new ATOM 1258 N GLU A 87 -11.450 -4.087 -2.762 1.00 0.00 N ATOM 1259 CA GLU A 87 -12.267 -4.604 -3.863 1.00 0.00 C ATOM 1260 C GLU A 87 -11.999 -3.866 -5.183 1.00 0.00 C ATOM 1261 O GLU A 87 -12.386 -4.338 -6.254 1.00 0.00 O ATOM 1262 CB GLU A 87 -13.750 -4.444 -3.559 1.00 0.00 C ATOM 1263 CG GLU A 87 -14.290 -4.948 -2.225 1.00 0.00 C ATOM 1264 CD GLU A 87 -15.806 -4.704 -2.238 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -16.577 -5.566 -2.715 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -16.260 -3.582 -1.937 1.00 0.00 O ATOM 0 H GLU A 87 -11.930 -3.419 -2.159 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.996 -5.655 -3.966 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -13.988 -3.383 -3.630 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -14.304 -4.949 -4.350 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.070 -6.008 -2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.821 -4.421 -1.394 1.00 0.00 H new ATOM 1273 N SER A 88 -11.399 -2.676 -5.111 1.00 0.00 N ATOM 1274 CA SER A 88 -10.910 -1.928 -6.265 1.00 0.00 C ATOM 1275 C SER A 88 -9.423 -2.304 -6.454 1.00 0.00 C ATOM 1276 O SER A 88 -8.971 -3.320 -5.934 1.00 0.00 O ATOM 1277 CB SER A 88 -11.206 -0.436 -6.039 1.00 0.00 C ATOM 1278 OG SER A 88 -11.568 0.261 -7.219 1.00 0.00 O ATOM 0 H SER A 88 -11.237 -2.196 -4.226 1.00 0.00 H new ATOM 0 HA SER A 88 -11.410 -2.174 -7.202 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.012 -0.341 -5.311 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.326 0.038 -5.604 1.00 0.00 H new ATOM 0 HG SER A 88 -11.896 1.154 -6.984 1.00 0.00 H new ATOM 1284 N GLY A 89 -8.629 -1.534 -7.195 1.00 0.00 N ATOM 1285 CA GLY A 89 -7.295 -1.935 -7.609 1.00 0.00 C ATOM 1286 C GLY A 89 -6.480 -0.732 -8.052 1.00 0.00 C ATOM 1287 O GLY A 89 -5.544 -0.878 -8.829 1.00 0.00 O ATOM 0 H GLY A 89 -8.900 -0.608 -7.525 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.790 -2.438 -6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.364 -2.653 -8.426 1.00 0.00 H new ATOM 1291 N LYS A 90 -6.795 0.464 -7.547 1.00 0.00 N ATOM 1292 CA LYS A 90 -6.019 1.649 -7.575 1.00 0.00 C ATOM 1293 C LYS A 90 -4.625 1.287 -7.130 1.00 0.00 C ATOM 1294 O LYS A 90 -4.442 0.729 -6.050 1.00 0.00 O ATOM 1295 CB LYS A 90 -6.688 2.593 -6.573 1.00 0.00 C ATOM 1296 CG LYS A 90 -5.791 3.745 -6.188 1.00 0.00 C ATOM 1297 CD LYS A 90 -6.427 5.121 -6.009 1.00 0.00 C ATOM 1298 CE LYS A 90 -7.583 5.277 -5.017 1.00 0.00 C ATOM 1299 NZ LYS A 90 -7.342 4.789 -3.652 1.00 0.00 N ATOM 0 H LYS A 90 -7.685 0.612 -7.071 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.958 2.115 -8.558 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.611 2.982 -7.003 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.963 2.035 -5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.294 3.483 -5.254 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.015 3.832 -6.949 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.639 5.812 -5.709 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.784 5.449 -6.985 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.845 6.334 -4.961 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.451 4.754 -5.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.846 5.394 -2.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.686 3.811 -3.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.322 4.816 -3.449 1.00 0.00 H new ATOM 1313 N THR A 91 -3.691 1.717 -7.929 1.00 0.00 N ATOM 1314 CA THR A 91 -2.266 1.681 -7.705 1.00 0.00 C ATOM 1315 C THR A 91 -1.832 3.140 -7.717 1.00 0.00 C ATOM 1316 O THR A 91 -2.372 3.948 -8.477 1.00 0.00 O ATOM 1317 CB THR A 91 -1.574 0.765 -8.731 1.00 0.00 C ATOM 1318 OG1 THR A 91 -1.688 1.290 -10.036 1.00 0.00 O ATOM 1319 CG2 THR A 91 -2.180 -0.651 -8.740 1.00 0.00 C ATOM 0 H THR A 91 -3.921 2.137 -8.829 1.00 0.00 H new ATOM 0 HA THR A 91 -1.976 1.235 -6.754 1.00 0.00 H new ATOM 0 HB THR A 91 -0.527 0.711 -8.432 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.239 0.692 -10.670 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.662 -1.264 -9.478 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.069 -1.100 -7.753 1.00 0.00 H new ATOM 0 HG23 THR A 91 -3.238 -0.592 -8.995 1.00 0.00 H new ATOM 1327 N LEU A 92 -0.958 3.514 -6.796 1.00 0.00 N ATOM 1328 CA LEU A 92 -0.503 4.878 -6.608 1.00 0.00 C ATOM 1329 C LEU A 92 0.990 4.770 -6.329 1.00 0.00 C ATOM 1330 O LEU A 92 1.448 3.739 -5.826 1.00 0.00 O ATOM 1331 CB LEU A 92 -1.232 5.514 -5.410 1.00 0.00 C ATOM 1332 CG LEU A 92 -2.755 5.710 -5.536 1.00 0.00 C ATOM 1333 CD1 LEU A 92 -3.271 6.132 -4.156 1.00 0.00 C ATOM 1334 CD2 LEU A 92 -3.139 6.743 -6.604 1.00 0.00 C ATOM 0 H LEU A 92 -0.535 2.856 -6.141 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.705 5.504 -7.477 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.042 4.896 -4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.781 6.487 -5.218 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.212 4.776 -5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.350 6.282 -4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.043 5.353 -3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.788 7.062 -3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.224 6.837 -6.646 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.701 7.708 -6.351 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.765 6.418 -7.575 1.00 0.00 H new ATOM 1346 N SER A 93 1.729 5.831 -6.609 1.00 0.00 N ATOM 1347 CA SER A 93 3.075 6.030 -6.120 1.00 0.00 C ATOM 1348 C SER A 93 3.044 7.017 -4.958 1.00 0.00 C ATOM 1349 O SER A 93 2.112 7.818 -4.807 1.00 0.00 O ATOM 1350 CB SER A 93 3.974 6.553 -7.243 1.00 0.00 C ATOM 1351 OG SER A 93 3.971 5.701 -8.377 1.00 0.00 O ATOM 0 H SER A 93 1.397 6.595 -7.198 1.00 0.00 H new ATOM 0 HA SER A 93 3.481 5.080 -5.774 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.641 7.548 -7.538 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.993 6.655 -6.871 1.00 0.00 H new ATOM 0 HG SER A 93 4.556 6.075 -9.068 1.00 0.00 H new ATOM 1357 N LEU A 94 4.115 6.970 -4.170 1.00 0.00 N ATOM 1358 CA LEU A 94 4.384 7.874 -3.071 1.00 0.00 C ATOM 1359 C LEU A 94 5.865 8.214 -3.230 1.00 0.00 C ATOM 1360 O LEU A 94 6.719 7.429 -2.815 1.00 0.00 O ATOM 1361 CB LEU A 94 4.034 7.164 -1.742 1.00 0.00 C ATOM 1362 CG LEU A 94 3.581 8.108 -0.616 1.00 0.00 C ATOM 1363 CD1 LEU A 94 3.311 7.290 0.652 1.00 0.00 C ATOM 1364 CD2 LEU A 94 4.609 9.192 -0.295 1.00 0.00 C ATOM 0 H LEU A 94 4.846 6.269 -4.291 1.00 0.00 H new ATOM 0 HA LEU A 94 3.792 8.789 -3.067 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.244 6.437 -1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.906 6.606 -1.402 1.00 0.00 H new ATOM 0 HG LEU A 94 2.677 8.608 -0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.990 7.956 1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.529 6.558 0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.223 6.774 0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.231 9.826 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.543 8.726 0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.788 9.798 -1.183 1.00 0.00 H new ATOM 1376 N LYS A 95 6.183 9.288 -3.960 1.00 0.00 N ATOM 1377 CA LYS A 95 7.555 9.774 -4.051 1.00 0.00 C ATOM 1378 C LYS A 95 7.794 10.693 -2.865 1.00 0.00 C ATOM 1379 O LYS A 95 6.897 11.409 -2.422 1.00 0.00 O ATOM 1380 CB LYS A 95 7.831 10.534 -5.356 1.00 0.00 C ATOM 1381 CG LYS A 95 8.086 9.652 -6.578 1.00 0.00 C ATOM 1382 CD LYS A 95 8.727 10.478 -7.704 1.00 0.00 C ATOM 1383 CE LYS A 95 8.815 9.665 -9.000 1.00 0.00 C ATOM 1384 NZ LYS A 95 9.674 10.328 -10.002 1.00 0.00 N ATOM 0 H LYS A 95 5.507 9.834 -4.494 1.00 0.00 H new ATOM 0 HA LYS A 95 8.229 8.918 -4.043 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.981 11.183 -5.567 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.696 11.180 -5.206 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.740 8.823 -6.307 1.00 0.00 H new ATOM 0 HG3 LYS A 95 7.148 9.218 -6.924 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.141 11.381 -7.876 1.00 0.00 H new ATOM 0 HD3 LYS A 95 9.725 10.798 -7.403 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.210 8.673 -8.781 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.815 9.527 -9.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.710 9.750 -10.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.283 11.265 -10.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.634 10.437 -9.618 1.00 0.00 H new ATOM 1398 N ILE A 96 9.026 10.686 -2.390 1.00 0.00 N ATOM 1399 CA ILE A 96 9.494 11.447 -1.238 1.00 0.00 C ATOM 1400 C ILE A 96 10.849 12.009 -1.659 1.00 0.00 C ATOM 1401 O ILE A 96 11.877 11.399 -1.381 1.00 0.00 O ATOM 1402 CB ILE A 96 9.592 10.506 -0.012 1.00 0.00 C ATOM 1403 CG1 ILE A 96 8.242 9.855 0.359 1.00 0.00 C ATOM 1404 CG2 ILE A 96 10.116 11.267 1.216 1.00 0.00 C ATOM 1405 CD1 ILE A 96 8.463 8.498 1.019 1.00 0.00 C ATOM 0 H ILE A 96 9.765 10.125 -2.814 1.00 0.00 H new ATOM 0 HA ILE A 96 8.824 12.256 -0.946 1.00 0.00 H new ATOM 0 HB ILE A 96 10.285 9.715 -0.300 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.691 10.509 1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.632 9.735 -0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.177 10.588 2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.106 11.668 1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.437 12.086 1.454 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.500 8.056 1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.994 7.841 0.330 1.00 0.00 H new ATOM 0 HD13 ILE A 96 9.054 8.626 1.926 1.00 0.00 H new ATOM 1417 N VAL A 97 10.881 13.097 -2.426 1.00 0.00 N ATOM 1418 CA VAL A 97 12.134 13.563 -2.997 1.00 0.00 C ATOM 1419 C VAL A 97 12.780 14.473 -1.950 1.00 0.00 C ATOM 1420 O VAL A 97 12.439 15.653 -1.877 1.00 0.00 O ATOM 1421 CB VAL A 97 11.885 14.222 -4.364 1.00 0.00 C ATOM 1422 CG1 VAL A 97 13.215 14.550 -5.053 1.00 0.00 C ATOM 1423 CG2 VAL A 97 11.071 13.324 -5.317 1.00 0.00 C ATOM 0 H VAL A 97 10.065 13.662 -2.661 1.00 0.00 H new ATOM 0 HA VAL A 97 12.829 12.752 -3.214 1.00 0.00 H new ATOM 0 HB VAL A 97 11.315 15.129 -4.161 1.00 0.00 H new ATOM 0 HG11 VAL A 97 13.019 15.016 -6.019 1.00 0.00 H new ATOM 0 HG12 VAL A 97 13.789 15.236 -4.429 1.00 0.00 H new ATOM 0 HG13 VAL A 97 13.784 13.632 -5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 97 10.925 13.839 -6.266 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.610 12.393 -5.489 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.101 13.105 -4.871 1.00 0.00 H new ATOM 1433 N GLN A 98 13.659 13.924 -1.109 1.00 0.00 N ATOM 1434 CA GLN A 98 14.113 14.568 0.121 1.00 0.00 C ATOM 1435 C GLN A 98 15.622 14.839 0.061 1.00 0.00 C ATOM 1436 O GLN A 98 16.319 14.219 -0.759 1.00 0.00 O ATOM 1437 CB GLN A 98 13.647 13.717 1.326 1.00 0.00 C ATOM 1438 CG GLN A 98 14.140 12.261 1.430 1.00 0.00 C ATOM 1439 CD GLN A 98 13.424 11.485 2.548 1.00 0.00 C ATOM 1440 OE1 GLN A 98 12.572 12.000 3.256 1.00 0.00 O ATOM 1441 NE2 GLN A 98 13.720 10.205 2.712 1.00 0.00 N ATOM 0 H GLN A 98 14.080 13.008 -1.267 1.00 0.00 H new ATOM 0 HA GLN A 98 13.664 15.553 0.245 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.950 14.236 2.236 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.557 13.699 1.318 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.978 11.755 0.478 1.00 0.00 H new ATOM 0 HG3 GLN A 98 15.214 12.255 1.616 1.00 0.00 H new ATOM 0 HE21 GLN A 98 14.430 9.767 2.125 1.00 0.00 H new ATOM 0 HE22 GLN A 98 13.238 9.657 3.425 1.00 0.00 H new ATOM 1450 N PRO A 99 16.174 15.749 0.879 1.00 0.00 N ATOM 1451 CA PRO A 99 17.608 15.839 1.102 1.00 0.00 C ATOM 1452 C PRO A 99 18.117 14.549 1.731 1.00 0.00 C ATOM 1453 O PRO A 99 17.378 13.602 2.005 1.00 0.00 O ATOM 1454 CB PRO A 99 17.822 17.061 2.001 1.00 0.00 C ATOM 1455 CG PRO A 99 16.532 17.085 2.803 1.00 0.00 C ATOM 1456 CD PRO A 99 15.494 16.688 1.750 1.00 0.00 C ATOM 0 HA PRO A 99 18.169 15.961 0.175 1.00 0.00 H new ATOM 0 HB2 PRO A 99 18.699 16.951 2.639 1.00 0.00 H new ATOM 0 HB3 PRO A 99 17.961 17.975 1.423 1.00 0.00 H new ATOM 0 HG2 PRO A 99 16.557 16.383 3.636 1.00 0.00 H new ATOM 0 HG3 PRO A 99 16.331 18.071 3.223 1.00 0.00 H new ATOM 0 HD2 PRO A 99 14.618 16.233 2.213 1.00 0.00 H new ATOM 0 HD3 PRO A 99 15.145 17.558 1.194 1.00 0.00 H new ATOM 1464 N GLY A 100 19.428 14.490 1.877 1.00 0.00 N ATOM 1465 CA GLY A 100 20.073 13.553 2.737 1.00 0.00 C ATOM 1466 C GLY A 100 20.363 14.197 4.084 1.00 0.00 C ATOM 1467 O GLY A 100 20.387 15.428 4.191 1.00 0.00 O ATOM 0 H GLY A 100 20.073 15.109 1.386 1.00 0.00 H new ATOM 0 HA2 GLY A 100 19.440 12.676 2.873 1.00 0.00 H new ATOM 0 HA3 GLY A 100 21.002 13.209 2.282 1.00 0.00 H new ATOM 1471 N LYS A 101 20.632 13.381 5.097 1.00 0.00 N ATOM 1472 CA LYS A 101 20.789 13.811 6.481 1.00 0.00 C ATOM 1473 C LYS A 101 21.844 12.928 7.146 1.00 0.00 C ATOM 1474 O LYS A 101 22.008 11.773 6.757 1.00 0.00 O ATOM 1475 CB LYS A 101 19.385 13.720 7.109 1.00 0.00 C ATOM 1476 CG LYS A 101 19.305 13.949 8.626 1.00 0.00 C ATOM 1477 CD LYS A 101 19.127 12.639 9.411 1.00 0.00 C ATOM 1478 CE LYS A 101 17.769 11.952 9.176 1.00 0.00 C ATOM 1479 NZ LYS A 101 16.627 12.782 9.614 1.00 0.00 N ATOM 0 H LYS A 101 20.750 12.375 4.975 1.00 0.00 H new ATOM 0 HA LYS A 101 21.149 14.833 6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 101 18.742 14.450 6.618 1.00 0.00 H new ATOM 0 HB3 LYS A 101 18.974 12.735 6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 101 20.213 14.450 8.963 1.00 0.00 H new ATOM 0 HG3 LYS A 101 18.472 14.617 8.846 1.00 0.00 H new ATOM 0 HD2 LYS A 101 19.925 11.950 9.135 1.00 0.00 H new ATOM 0 HD3 LYS A 101 19.239 12.846 10.475 1.00 0.00 H new ATOM 0 HE2 LYS A 101 17.661 11.723 8.116 1.00 0.00 H new ATOM 0 HE3 LYS A 101 17.749 11.003 9.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.784 12.183 9.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 16.853 13.231 10.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.439 13.517 8.903 1.00 0.00 H new ATOM 1493 N THR A 102 22.569 13.464 8.127 1.00 0.00 N ATOM 1494 CA THR A 102 23.598 12.776 8.890 1.00 0.00 C ATOM 1495 C THR A 102 23.663 13.466 10.251 1.00 0.00 C ATOM 1496 O THR A 102 24.433 14.417 10.409 1.00 0.00 O ATOM 1497 CB THR A 102 24.972 12.869 8.196 1.00 0.00 C ATOM 1498 OG1 THR A 102 25.204 14.161 7.658 1.00 0.00 O ATOM 1499 CG2 THR A 102 25.181 11.860 7.065 1.00 0.00 C ATOM 0 H THR A 102 22.446 14.433 8.421 1.00 0.00 H new ATOM 0 HA THR A 102 23.355 11.717 8.980 1.00 0.00 H new ATOM 0 HB THR A 102 25.678 12.641 8.995 1.00 0.00 H new ATOM 0 HG1 THR A 102 25.045 14.837 8.350 1.00 0.00 H new ATOM 0 HG21 THR A 102 26.173 11.997 6.634 1.00 0.00 H new ATOM 0 HG22 THR A 102 25.093 10.848 7.460 1.00 0.00 H new ATOM 0 HG23 THR A 102 24.426 12.016 6.294 1.00 0.00 H new ATOM 1507 N SER A 103 22.856 13.037 11.218 1.00 0.00 N ATOM 1508 CA SER A 103 22.815 13.674 12.526 1.00 0.00 C ATOM 1509 C SER A 103 22.781 12.624 13.639 1.00 0.00 C ATOM 1510 O SER A 103 23.110 11.454 13.418 1.00 0.00 O ATOM 1511 CB SER A 103 21.647 14.673 12.565 1.00 0.00 C ATOM 1512 OG SER A 103 21.796 15.569 13.653 1.00 0.00 O ATOM 0 H SER A 103 22.219 12.246 11.117 1.00 0.00 H new ATOM 0 HA SER A 103 23.726 14.247 12.703 1.00 0.00 H new ATOM 0 HB2 SER A 103 21.607 15.231 11.630 1.00 0.00 H new ATOM 0 HB3 SER A 103 20.703 14.135 12.656 1.00 0.00 H new ATOM 0 HG SER A 103 21.046 16.199 13.663 1.00 0.00 H new ATOM 1518 N ILE A 104 22.481 13.065 14.856 1.00 0.00 N ATOM 1519 CA ILE A 104 22.188 12.264 16.032 1.00 0.00 C ATOM 1520 C ILE A 104 20.660 12.161 16.036 1.00 0.00 C ATOM 1521 O ILE A 104 19.975 12.835 16.809 1.00 0.00 O ATOM 1522 CB ILE A 104 22.808 12.972 17.264 1.00 0.00 C ATOM 1523 CG1 ILE A 104 24.331 13.217 17.110 1.00 0.00 C ATOM 1524 CG2 ILE A 104 22.550 12.223 18.579 1.00 0.00 C ATOM 1525 CD1 ILE A 104 25.174 11.979 16.763 1.00 0.00 C ATOM 0 H ILE A 104 22.434 14.064 15.057 1.00 0.00 H new ATOM 0 HA ILE A 104 22.611 11.259 16.045 1.00 0.00 H new ATOM 0 HB ILE A 104 22.300 13.935 17.310 1.00 0.00 H new ATOM 0 HG12 ILE A 104 24.483 13.967 16.333 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.708 13.641 18.041 1.00 0.00 H new ATOM 0 HG21 ILE A 104 23.009 12.768 19.404 1.00 0.00 H new ATOM 0 HG22 ILE A 104 21.476 12.144 18.748 1.00 0.00 H new ATOM 0 HG23 ILE A 104 22.982 11.224 18.520 1.00 0.00 H new ATOM 0 HD11 ILE A 104 26.223 12.265 16.679 1.00 0.00 H new ATOM 0 HD12 ILE A 104 25.063 11.232 17.549 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.835 11.562 15.815 1.00 0.00 H new ATOM 1537 N ASP A 105 20.125 11.394 15.086 1.00 0.00 N ATOM 1538 CA ASP A 105 18.732 11.456 14.656 1.00 0.00 C ATOM 1539 C ASP A 105 18.018 10.245 15.227 1.00 0.00 C ATOM 1540 O ASP A 105 17.551 10.320 16.382 1.00 0.00 O ATOM 1541 CB ASP A 105 18.709 11.542 13.123 1.00 0.00 C ATOM 1542 CG ASP A 105 17.341 11.914 12.557 1.00 0.00 C ATOM 1543 OD1 ASP A 105 17.076 13.129 12.373 1.00 0.00 O ATOM 1544 OD2 ASP A 105 16.613 11.024 12.066 1.00 0.00 O ATOM 0 H ASP A 105 20.667 10.693 14.581 1.00 0.00 H new ATOM 0 HA ASP A 105 18.205 12.337 15.023 1.00 0.00 H new ATOM 0 HB2 ASP A 105 19.442 12.280 12.797 1.00 0.00 H new ATOM 0 HB3 ASP A 105 19.017 10.582 12.708 1.00 0.00 H new TER 1549 ASP A 105