USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 873 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 109 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 110 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00847) USER MOD Set 2.1: A 34 GLN : amide:sc= 0.696 K(o=1.6,f=-1.5) USER MOD Set 2.2: A 64 HIS : no HE2:sc= 0.13 K(o=1.6,f=-5.7!) USER MOD Set 2.3: A 104 TYR OH : rot 180:sc= 0 USER MOD Set 2.4: A 111 ASN : amide:sc= 0.801 K(o=1.6,f=-0.86) USER MOD Set 3.1: A 77 SER OG : rot -19:sc= 1.18 USER MOD Set 3.2: A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 168:sc=-0.00913 (180deg=-0.224) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.0868 X(o=-0.087,f=-0.47) USER MOD Single : A 29 SER OG : rot 53:sc= 1.26 USER MOD Single : A 35 SER OG : rot -52:sc= 1.15 USER MOD Single : A 41 MET CE :methyl 168:sc= -0.696 (180deg=-1.81) USER MOD Single : A 44 ASN : amide:sc= 0.166 K(o=0.17,f=-2.1!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 120:sc= -0.421 USER MOD Single : A 66 HIS : no HE2:sc= -8.85! C(o=-8.8!,f=-13!) USER MOD Single : A 69 THR OG1 : rot 87:sc= 1.24 USER MOD Single : A 71 MET CE :methyl 135:sc= -0.72 (180deg=-3.87!) USER MOD Single : A 75 GLN : amide:sc= -0.719 K(o=-0.72,f=-3.7!) USER MOD Single : A 85 THR OG1 : rot 150:sc= -0.0591 USER MOD Single : A 89 SER OG : rot -112:sc= 1.28 USER MOD Single : A 93 GLN : amide:sc= 1.06 K(o=1.1,f=-1.9!) USER MOD Single : A 95 GLN : amide:sc= -0.0373 X(o=-0.037,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0.0133 USER MOD Single : A 112 THR OG1 : rot -140:sc= 0.896 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 119 SER OG : rot 180:sc= 0.00316 USER MOD Single : A 121 TYR OH : rot 165:sc= 0 USER MOD Single : A 134 MET CE :methyl -179:sc= -0.581 (180deg=-0.586) USER MOD Single : A 136 SER OG : rot 180:sc= 0.117 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 8.152 28.908 1.762 1.00 0.00 N ATOM 2 CA MET A 23 7.039 27.995 1.491 1.00 0.00 C ATOM 3 C MET A 23 7.583 26.595 1.310 1.00 0.00 C ATOM 4 O MET A 23 8.586 26.398 0.623 1.00 0.00 O ATOM 5 CB MET A 23 6.218 28.413 0.267 1.00 0.00 C ATOM 6 CG MET A 23 5.324 29.611 0.587 1.00 0.00 C ATOM 7 SD MET A 23 4.242 30.134 -0.765 1.00 0.00 S ATOM 8 CE MET A 23 3.136 28.702 -0.894 1.00 0.00 C ATOM 0 HA MET A 23 6.361 28.029 2.344 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.888 28.664 -0.555 1.00 0.00 H new ATOM 0 HB3 MET A 23 5.604 27.576 -0.066 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.708 29.366 1.452 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.956 30.452 0.874 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.287 28.954 -1.530 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.678 27.862 -1.328 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.777 28.429 0.098 1.00 0.00 H new ATOM 20 N LYS A 24 6.931 25.611 1.921 1.00 0.00 N ATOM 21 CA LYS A 24 7.216 24.200 1.713 1.00 0.00 C ATOM 22 C LYS A 24 5.898 23.454 1.784 1.00 0.00 C ATOM 23 O LYS A 24 4.978 23.877 2.493 1.00 0.00 O ATOM 24 CB LYS A 24 8.203 23.729 2.791 1.00 0.00 C ATOM 25 CG LYS A 24 8.674 22.273 2.662 1.00 0.00 C ATOM 26 CD LYS A 24 9.457 21.975 1.374 1.00 0.00 C ATOM 27 CE LYS A 24 10.672 21.104 1.716 1.00 0.00 C ATOM 28 NZ LYS A 24 11.539 20.849 0.551 1.00 0.00 N ATOM 0 H LYS A 24 6.176 25.778 2.586 1.00 0.00 H new ATOM 0 HA LYS A 24 7.676 24.014 0.742 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.077 24.379 2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.736 23.857 3.768 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.301 22.029 3.520 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.805 21.617 2.705 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.818 21.463 0.655 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.781 22.905 0.907 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.255 21.592 2.497 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.328 20.153 2.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.343 20.256 0.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.994 20.358 -0.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.892 21.753 0.177 1.00 0.00 H new ATOM 42 N VAL A 25 5.808 22.347 1.068 1.00 0.00 N ATOM 43 CA VAL A 25 4.682 21.435 1.079 1.00 0.00 C ATOM 44 C VAL A 25 5.297 20.033 0.964 1.00 0.00 C ATOM 45 O VAL A 25 6.345 19.892 0.331 1.00 0.00 O ATOM 46 CB VAL A 25 3.779 21.753 -0.136 1.00 0.00 C ATOM 47 CG1 VAL A 25 2.532 20.862 -0.206 1.00 0.00 C ATOM 48 CG2 VAL A 25 3.270 23.203 -0.170 1.00 0.00 C ATOM 0 H VAL A 25 6.551 22.048 0.436 1.00 0.00 H new ATOM 0 HA VAL A 25 4.068 21.516 1.976 1.00 0.00 H new ATOM 0 HB VAL A 25 4.440 21.568 -0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.939 21.134 -1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.835 19.818 -0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.935 21.001 0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.644 23.348 -1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.686 23.405 0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.119 23.886 -0.211 1.00 0.00 H new ATOM 58 N PRO A 26 4.705 18.995 1.571 1.00 0.00 N ATOM 59 CA PRO A 26 5.092 17.623 1.304 1.00 0.00 C ATOM 60 C PRO A 26 4.671 17.318 -0.140 1.00 0.00 C ATOM 61 O PRO A 26 3.475 17.389 -0.441 1.00 0.00 O ATOM 62 CB PRO A 26 4.325 16.767 2.316 1.00 0.00 C ATOM 63 CG PRO A 26 3.132 17.630 2.713 1.00 0.00 C ATOM 64 CD PRO A 26 3.651 19.053 2.562 1.00 0.00 C ATOM 0 HA PRO A 26 6.160 17.430 1.402 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.004 15.823 1.876 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.944 16.522 3.179 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.273 17.447 2.068 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.813 17.426 3.735 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.855 19.726 2.245 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.029 19.432 3.511 1.00 0.00 H new ATOM 72 N PRO A 27 5.594 16.985 -1.056 1.00 0.00 N ATOM 73 CA PRO A 27 5.199 16.618 -2.409 1.00 0.00 C ATOM 74 C PRO A 27 4.513 15.245 -2.439 1.00 0.00 C ATOM 75 O PRO A 27 3.797 14.957 -3.398 1.00 0.00 O ATOM 76 CB PRO A 27 6.495 16.627 -3.217 1.00 0.00 C ATOM 77 CG PRO A 27 7.557 16.249 -2.182 1.00 0.00 C ATOM 78 CD PRO A 27 7.039 16.898 -0.898 1.00 0.00 C ATOM 0 HA PRO A 27 4.466 17.311 -2.823 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.462 15.912 -4.039 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.690 17.606 -3.654 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.651 15.168 -2.077 1.00 0.00 H new ATOM 0 HG3 PRO A 27 8.541 16.629 -2.457 1.00 0.00 H new ATOM 0 HD2 PRO A 27 7.302 16.302 -0.024 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.477 17.886 -0.754 1.00 0.00 H new ATOM 86 N HIS A 28 4.668 14.447 -1.372 1.00 0.00 N ATOM 87 CA HIS A 28 4.302 13.037 -1.287 1.00 0.00 C ATOM 88 C HIS A 28 5.068 12.242 -2.348 1.00 0.00 C ATOM 89 O HIS A 28 6.011 12.747 -2.961 1.00 0.00 O ATOM 90 CB HIS A 28 2.776 12.831 -1.308 1.00 0.00 C ATOM 91 CG HIS A 28 2.061 13.676 -0.292 1.00 0.00 C ATOM 92 ND1 HIS A 28 1.543 14.927 -0.513 1.00 0.00 N ATOM 93 CD2 HIS A 28 1.868 13.375 1.025 1.00 0.00 C ATOM 94 CE1 HIS A 28 1.058 15.384 0.649 1.00 0.00 C ATOM 95 NE2 HIS A 28 1.247 14.480 1.621 1.00 0.00 N ATOM 0 H HIS A 28 5.074 14.792 -0.502 1.00 0.00 H new ATOM 0 HA HIS A 28 4.606 12.640 -0.318 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.396 13.066 -2.302 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.553 11.780 -1.122 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.143 12.454 1.517 1.00 0.00 H new ATOM 0 HE1 HIS A 28 0.582 16.344 0.784 1.00 0.00 H new ATOM 0 HE2 HIS A 28 0.989 14.578 2.603 1.00 0.00 H new ATOM 103 N SER A 29 4.715 10.973 -2.504 1.00 0.00 N ATOM 104 CA SER A 29 5.464 10.003 -3.284 1.00 0.00 C ATOM 105 C SER A 29 4.502 9.063 -4.010 1.00 0.00 C ATOM 106 O SER A 29 4.888 7.941 -4.302 1.00 0.00 O ATOM 107 CB SER A 29 6.438 9.259 -2.340 1.00 0.00 C ATOM 108 OG SER A 29 6.021 9.249 -0.983 1.00 0.00 O ATOM 0 H SER A 29 3.875 10.581 -2.078 1.00 0.00 H new ATOM 0 HA SER A 29 6.056 10.495 -4.056 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.549 8.231 -2.684 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.421 9.725 -2.405 1.00 0.00 H new ATOM 0 HG SER A 29 5.105 8.904 -0.925 1.00 0.00 H new ATOM 114 N ILE A 30 3.266 9.498 -4.287 1.00 0.00 N ATOM 115 CA ILE A 30 2.136 8.694 -4.756 1.00 0.00 C ATOM 116 C ILE A 30 2.560 7.584 -5.708 1.00 0.00 C ATOM 117 O ILE A 30 2.239 6.431 -5.461 1.00 0.00 O ATOM 118 CB ILE A 30 0.998 9.618 -5.287 1.00 0.00 C ATOM 119 CG1 ILE A 30 -0.069 9.920 -4.217 1.00 0.00 C ATOM 120 CG2 ILE A 30 0.221 9.116 -6.518 1.00 0.00 C ATOM 121 CD1 ILE A 30 0.505 10.339 -2.869 1.00 0.00 C ATOM 0 H ILE A 30 3.016 10.481 -4.182 1.00 0.00 H new ATOM 0 HA ILE A 30 1.715 8.152 -3.909 1.00 0.00 H new ATOM 0 HB ILE A 30 1.569 10.501 -5.575 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.722 10.712 -4.584 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.689 9.034 -4.077 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.542 9.846 -6.789 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.909 8.983 -7.353 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.255 8.164 -6.284 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.310 10.534 -2.171 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.135 9.540 -2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.101 11.243 -2.992 1.00 0.00 H new ATOM 133 N GLU A 31 3.239 7.892 -6.800 1.00 0.00 N ATOM 134 CA GLU A 31 3.594 6.855 -7.761 1.00 0.00 C ATOM 135 C GLU A 31 4.594 5.836 -7.225 1.00 0.00 C ATOM 136 O GLU A 31 4.451 4.641 -7.473 1.00 0.00 O ATOM 137 CB GLU A 31 4.015 7.500 -9.068 1.00 0.00 C ATOM 138 CG GLU A 31 2.729 8.080 -9.673 1.00 0.00 C ATOM 139 CD GLU A 31 2.975 8.628 -11.072 1.00 0.00 C ATOM 140 OE1 GLU A 31 3.467 7.890 -11.952 1.00 0.00 O ATOM 141 OE2 GLU A 31 2.688 9.831 -11.287 1.00 0.00 O ATOM 0 H GLU A 31 3.552 8.832 -7.043 1.00 0.00 H new ATOM 0 HA GLU A 31 2.706 6.252 -7.953 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.756 8.281 -8.899 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.469 6.769 -9.738 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.962 7.307 -9.713 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.348 8.874 -9.031 1.00 0.00 H new ATOM 148 N ALA A 32 5.595 6.289 -6.475 1.00 0.00 N ATOM 149 CA ALA A 32 6.519 5.391 -5.800 1.00 0.00 C ATOM 150 C ALA A 32 5.795 4.555 -4.745 1.00 0.00 C ATOM 151 O ALA A 32 6.040 3.359 -4.650 1.00 0.00 O ATOM 152 CB ALA A 32 7.679 6.177 -5.182 1.00 0.00 C ATOM 0 H ALA A 32 5.785 7.279 -6.321 1.00 0.00 H new ATOM 0 HA ALA A 32 6.932 4.705 -6.540 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.360 5.488 -4.682 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.215 6.711 -5.966 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.289 6.892 -4.458 1.00 0.00 H new ATOM 158 N GLU A 33 4.889 5.164 -3.983 1.00 0.00 N ATOM 159 CA GLU A 33 4.037 4.497 -3.010 1.00 0.00 C ATOM 160 C GLU A 33 3.215 3.418 -3.707 1.00 0.00 C ATOM 161 O GLU A 33 3.172 2.285 -3.232 1.00 0.00 O ATOM 162 CB GLU A 33 3.102 5.514 -2.339 1.00 0.00 C ATOM 163 CG GLU A 33 3.819 6.504 -1.422 1.00 0.00 C ATOM 164 CD GLU A 33 2.919 7.675 -1.040 1.00 0.00 C ATOM 165 OE1 GLU A 33 1.705 7.459 -0.817 1.00 0.00 O ATOM 166 OE2 GLU A 33 3.431 8.816 -0.931 1.00 0.00 O ATOM 0 H GLU A 33 4.725 6.170 -4.030 1.00 0.00 H new ATOM 0 HA GLU A 33 4.662 4.038 -2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.571 6.069 -3.112 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.351 4.976 -1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.150 5.990 -0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.713 6.880 -1.920 1.00 0.00 H new ATOM 173 N GLN A 34 2.595 3.759 -4.842 1.00 0.00 N ATOM 174 CA GLN A 34 1.824 2.825 -5.631 1.00 0.00 C ATOM 175 C GLN A 34 2.716 1.646 -6.021 1.00 0.00 C ATOM 176 O GLN A 34 2.321 0.497 -5.834 1.00 0.00 O ATOM 177 CB GLN A 34 1.216 3.460 -6.892 1.00 0.00 C ATOM 178 CG GLN A 34 -0.041 4.294 -6.595 1.00 0.00 C ATOM 179 CD GLN A 34 -1.151 4.172 -7.639 1.00 0.00 C ATOM 180 OE1 GLN A 34 -0.906 3.852 -8.803 1.00 0.00 O ATOM 181 NE2 GLN A 34 -2.391 4.412 -7.243 1.00 0.00 N ATOM 0 H GLN A 34 2.622 4.701 -5.232 1.00 0.00 H new ATOM 0 HA GLN A 34 0.988 2.491 -5.017 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.963 4.095 -7.369 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.964 2.674 -7.604 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.439 3.994 -5.625 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.247 5.342 -6.511 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.575 4.676 -6.275 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.162 4.333 -7.906 1.00 0.00 H new ATOM 190 N SER A 35 3.917 1.925 -6.541 1.00 0.00 N ATOM 191 CA SER A 35 4.846 0.897 -6.970 1.00 0.00 C ATOM 192 C SER A 35 5.291 0.009 -5.808 1.00 0.00 C ATOM 193 O SER A 35 5.367 -1.203 -5.994 1.00 0.00 O ATOM 194 CB SER A 35 6.049 1.517 -7.677 1.00 0.00 C ATOM 195 OG SER A 35 5.639 2.175 -8.858 1.00 0.00 O ATOM 0 H SER A 35 4.264 2.875 -6.672 1.00 0.00 H new ATOM 0 HA SER A 35 4.321 0.258 -7.680 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.545 2.224 -7.012 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.777 0.742 -7.918 1.00 0.00 H new ATOM 0 HG SER A 35 5.099 1.565 -9.402 1.00 0.00 H new ATOM 201 N VAL A 36 5.551 0.551 -4.615 1.00 0.00 N ATOM 202 CA VAL A 36 5.867 -0.275 -3.451 1.00 0.00 C ATOM 203 C VAL A 36 4.718 -1.244 -3.211 1.00 0.00 C ATOM 204 O VAL A 36 4.940 -2.449 -3.174 1.00 0.00 O ATOM 205 CB VAL A 36 6.163 0.590 -2.204 1.00 0.00 C ATOM 206 CG1 VAL A 36 6.265 -0.239 -0.916 1.00 0.00 C ATOM 207 CG2 VAL A 36 7.488 1.342 -2.346 1.00 0.00 C ATOM 0 H VAL A 36 5.549 1.554 -4.432 1.00 0.00 H new ATOM 0 HA VAL A 36 6.776 -0.844 -3.647 1.00 0.00 H new ATOM 0 HB VAL A 36 5.322 1.280 -2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.474 0.421 -0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.324 -0.760 -0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.070 -0.967 -1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.665 1.940 -1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.301 0.627 -2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.444 1.996 -3.217 1.00 0.00 H new ATOM 217 N LEU A 37 3.502 -0.729 -3.059 1.00 0.00 N ATOM 218 CA LEU A 37 2.343 -1.529 -2.689 1.00 0.00 C ATOM 219 C LEU A 37 2.075 -2.588 -3.756 1.00 0.00 C ATOM 220 O LEU A 37 1.970 -3.763 -3.420 1.00 0.00 O ATOM 221 CB LEU A 37 1.153 -0.593 -2.437 1.00 0.00 C ATOM 222 CG LEU A 37 1.408 0.355 -1.243 1.00 0.00 C ATOM 223 CD1 LEU A 37 0.349 1.450 -1.227 1.00 0.00 C ATOM 224 CD2 LEU A 37 1.442 -0.356 0.115 1.00 0.00 C ATOM 0 H LEU A 37 3.293 0.261 -3.190 1.00 0.00 H new ATOM 0 HA LEU A 37 2.525 -2.076 -1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.958 -0.004 -3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.259 -1.186 -2.245 1.00 0.00 H new ATOM 0 HG LEU A 37 2.401 0.780 -1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.529 2.118 -0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.398 2.017 -2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.639 1.000 -1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.625 0.374 0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.486 -0.849 0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.239 -1.100 0.117 1.00 0.00 H new ATOM 236 N GLY A 38 2.068 -2.218 -5.037 1.00 0.00 N ATOM 237 CA GLY A 38 1.986 -3.173 -6.133 1.00 0.00 C ATOM 238 C GLY A 38 3.108 -4.210 -6.079 1.00 0.00 C ATOM 239 O GLY A 38 2.872 -5.383 -6.366 1.00 0.00 O ATOM 0 H GLY A 38 2.119 -1.245 -5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.022 -3.681 -6.099 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.032 -2.639 -7.082 1.00 0.00 H new ATOM 243 N GLY A 39 4.315 -3.812 -5.665 1.00 0.00 N ATOM 244 CA GLY A 39 5.465 -4.688 -5.522 1.00 0.00 C ATOM 245 C GLY A 39 5.275 -5.714 -4.407 1.00 0.00 C ATOM 246 O GLY A 39 5.824 -6.810 -4.495 1.00 0.00 O ATOM 0 H GLY A 39 4.517 -2.844 -5.415 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.643 -5.207 -6.464 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.352 -4.089 -5.315 1.00 0.00 H new ATOM 250 N LEU A 40 4.488 -5.385 -3.380 1.00 0.00 N ATOM 251 CA LEU A 40 4.138 -6.280 -2.284 1.00 0.00 C ATOM 252 C LEU A 40 3.124 -7.321 -2.751 1.00 0.00 C ATOM 253 O LEU A 40 3.299 -8.508 -2.486 1.00 0.00 O ATOM 254 CB LEU A 40 3.551 -5.473 -1.117 1.00 0.00 C ATOM 255 CG LEU A 40 4.508 -4.484 -0.446 1.00 0.00 C ATOM 256 CD1 LEU A 40 3.756 -3.698 0.632 1.00 0.00 C ATOM 257 CD2 LEU A 40 5.691 -5.247 0.133 1.00 0.00 C ATOM 0 H LEU A 40 4.066 -4.461 -3.289 1.00 0.00 H new ATOM 0 HA LEU A 40 5.041 -6.792 -1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.684 -4.921 -1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.191 -6.171 -0.361 1.00 0.00 H new ATOM 0 HG LEU A 40 4.890 -3.769 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.437 -2.994 1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.931 -3.152 0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.364 -4.388 1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.376 -4.547 0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.334 -5.967 0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.211 -5.773 -0.667 1.00 0.00 H new ATOM 269 N MET A 41 2.079 -6.897 -3.473 1.00 0.00 N ATOM 270 CA MET A 41 1.142 -7.823 -4.114 1.00 0.00 C ATOM 271 C MET A 41 1.892 -8.752 -5.072 1.00 0.00 C ATOM 272 O MET A 41 1.533 -9.926 -5.209 1.00 0.00 O ATOM 273 CB MET A 41 0.045 -7.045 -4.864 1.00 0.00 C ATOM 274 CG MET A 41 -0.898 -6.321 -3.896 1.00 0.00 C ATOM 275 SD MET A 41 -0.945 -4.510 -3.969 1.00 0.00 S ATOM 276 CE MET A 41 -2.550 -4.248 -4.739 1.00 0.00 C ATOM 0 H MET A 41 1.862 -5.912 -3.627 1.00 0.00 H new ATOM 0 HA MET A 41 0.666 -8.429 -3.343 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.506 -6.319 -5.534 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.529 -7.733 -5.485 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.908 -6.691 -4.071 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.624 -6.610 -2.881 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.823 -3.196 -4.662 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.500 -4.534 -5.790 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.300 -4.856 -4.233 1.00 0.00 H new ATOM 286 N LEU A 42 2.936 -8.239 -5.725 1.00 0.00 N ATOM 287 CA LEU A 42 3.830 -8.994 -6.588 1.00 0.00 C ATOM 288 C LEU A 42 4.585 -10.043 -5.795 1.00 0.00 C ATOM 289 O LEU A 42 4.442 -11.232 -6.072 1.00 0.00 O ATOM 290 CB LEU A 42 4.769 -8.048 -7.348 1.00 0.00 C ATOM 291 CG LEU A 42 4.304 -7.865 -8.799 1.00 0.00 C ATOM 292 CD1 LEU A 42 4.700 -6.476 -9.294 1.00 0.00 C ATOM 293 CD2 LEU A 42 4.891 -8.975 -9.679 1.00 0.00 C ATOM 0 H LEU A 42 3.186 -7.252 -5.662 1.00 0.00 H new ATOM 0 HA LEU A 42 3.237 -9.526 -7.332 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.801 -7.080 -6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.783 -8.447 -7.334 1.00 0.00 H new ATOM 0 HG LEU A 42 3.218 -7.941 -8.853 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.369 -6.349 -10.325 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.231 -5.719 -8.666 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.784 -6.368 -9.245 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.557 -8.839 -10.708 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.979 -8.931 -9.642 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.555 -9.945 -9.314 1.00 0.00 H new ATOM 305 N ASP A 43 5.377 -9.630 -4.816 1.00 0.00 N ATOM 306 CA ASP A 43 6.280 -10.496 -4.061 1.00 0.00 C ATOM 307 C ASP A 43 6.111 -10.346 -2.553 1.00 0.00 C ATOM 308 O ASP A 43 6.571 -9.370 -1.957 1.00 0.00 O ATOM 309 CB ASP A 43 7.740 -10.298 -4.485 1.00 0.00 C ATOM 310 CG ASP A 43 8.685 -11.268 -3.762 1.00 0.00 C ATOM 311 OD1 ASP A 43 8.231 -12.318 -3.243 1.00 0.00 O ATOM 312 OD2 ASP A 43 9.910 -11.022 -3.788 1.00 0.00 O ATOM 0 H ASP A 43 5.412 -8.656 -4.514 1.00 0.00 H new ATOM 0 HA ASP A 43 6.001 -11.521 -4.306 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.827 -10.442 -5.562 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.043 -9.272 -4.275 1.00 0.00 H new ATOM 317 N ASN A 44 5.511 -11.371 -1.937 1.00 0.00 N ATOM 318 CA ASN A 44 5.265 -11.440 -0.495 1.00 0.00 C ATOM 319 C ASN A 44 6.551 -11.225 0.300 1.00 0.00 C ATOM 320 O ASN A 44 6.506 -10.649 1.386 1.00 0.00 O ATOM 321 CB ASN A 44 4.695 -12.814 -0.088 1.00 0.00 C ATOM 322 CG ASN A 44 3.175 -12.884 -0.039 1.00 0.00 C ATOM 323 OD1 ASN A 44 2.589 -13.102 1.024 1.00 0.00 O ATOM 324 ND2 ASN A 44 2.511 -12.737 -1.171 1.00 0.00 N ATOM 0 H ASN A 44 5.176 -12.193 -2.440 1.00 0.00 H new ATOM 0 HA ASN A 44 4.547 -10.652 -0.271 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.057 -13.565 -0.791 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.089 -13.079 0.893 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.493 -12.803 -1.178 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.016 -12.557 -2.039 1.00 0.00 H new ATOM 331 N GLU A 45 7.700 -11.694 -0.199 1.00 0.00 N ATOM 332 CA GLU A 45 8.952 -11.599 0.554 1.00 0.00 C ATOM 333 C GLU A 45 9.403 -10.152 0.712 1.00 0.00 C ATOM 334 O GLU A 45 10.155 -9.833 1.636 1.00 0.00 O ATOM 335 CB GLU A 45 10.060 -12.418 -0.119 1.00 0.00 C ATOM 336 CG GLU A 45 9.737 -13.912 -0.073 1.00 0.00 C ATOM 337 CD GLU A 45 10.917 -14.750 -0.555 1.00 0.00 C ATOM 338 OE1 GLU A 45 11.156 -14.808 -1.782 1.00 0.00 O ATOM 339 OE2 GLU A 45 11.569 -15.429 0.269 1.00 0.00 O ATOM 0 H GLU A 45 7.787 -12.139 -1.113 1.00 0.00 H new ATOM 0 HA GLU A 45 8.761 -12.008 1.546 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.176 -12.098 -1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.011 -12.232 0.381 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.477 -14.199 0.946 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.865 -14.117 -0.694 1.00 0.00 H new ATOM 346 N ARG A 46 8.948 -9.246 -0.157 1.00 0.00 N ATOM 347 CA ARG A 46 9.279 -7.844 -0.029 1.00 0.00 C ATOM 348 C ARG A 46 8.452 -7.148 1.026 1.00 0.00 C ATOM 349 O ARG A 46 8.827 -6.034 1.368 1.00 0.00 O ATOM 350 CB ARG A 46 9.152 -7.155 -1.384 1.00 0.00 C ATOM 351 CG ARG A 46 10.035 -7.843 -2.426 1.00 0.00 C ATOM 352 CD ARG A 46 11.522 -7.744 -2.056 1.00 0.00 C ATOM 353 NE ARG A 46 12.363 -8.367 -3.074 1.00 0.00 N ATOM 354 CZ ARG A 46 13.621 -8.035 -3.362 1.00 0.00 C ATOM 355 NH1 ARG A 46 14.249 -7.047 -2.727 1.00 0.00 N ATOM 356 NH2 ARG A 46 14.231 -8.705 -4.326 1.00 0.00 N ATOM 0 H ARG A 46 8.350 -9.468 -0.953 1.00 0.00 H new ATOM 0 HA ARG A 46 10.314 -7.775 0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.112 -7.174 -1.711 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.438 -6.107 -1.293 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.749 -8.891 -2.512 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.871 -7.387 -3.402 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.802 -6.697 -1.941 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.693 -8.227 -1.094 1.00 0.00 H new ATOM 0 HE ARG A 46 11.949 -9.127 -3.615 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.767 -6.521 -1.998 1.00 0.00 H new ATOM 0 HH12 ARG A 46 15.212 -6.816 -2.970 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.738 -9.448 -4.821 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.194 -8.478 -4.574 1.00 0.00 H new ATOM 370 N TRP A 47 7.419 -7.780 1.591 1.00 0.00 N ATOM 371 CA TRP A 47 6.723 -7.236 2.747 1.00 0.00 C ATOM 372 C TRP A 47 7.726 -6.831 3.808 1.00 0.00 C ATOM 373 O TRP A 47 7.728 -5.688 4.241 1.00 0.00 O ATOM 374 CB TRP A 47 5.717 -8.236 3.311 1.00 0.00 C ATOM 375 CG TRP A 47 5.122 -7.747 4.585 1.00 0.00 C ATOM 376 CD1 TRP A 47 5.541 -8.108 5.815 1.00 0.00 C ATOM 377 CD2 TRP A 47 4.164 -6.669 4.790 1.00 0.00 C ATOM 378 NE1 TRP A 47 4.834 -7.402 6.761 1.00 0.00 N ATOM 379 CE2 TRP A 47 4.017 -6.455 6.190 1.00 0.00 C ATOM 380 CE3 TRP A 47 3.444 -5.817 3.932 1.00 0.00 C ATOM 381 CZ2 TRP A 47 3.183 -5.458 6.716 1.00 0.00 C ATOM 382 CZ3 TRP A 47 2.633 -4.787 4.441 1.00 0.00 C ATOM 383 CH2 TRP A 47 2.490 -4.618 5.830 1.00 0.00 C ATOM 0 H TRP A 47 7.050 -8.672 1.261 1.00 0.00 H new ATOM 0 HA TRP A 47 6.166 -6.355 2.429 1.00 0.00 H new ATOM 0 HB2 TRP A 47 4.926 -8.410 2.581 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.210 -9.193 3.481 1.00 0.00 H new ATOM 0 HD1 TRP A 47 6.310 -8.836 6.024 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.907 -7.562 7.766 1.00 0.00 H new ATOM 0 HE3 TRP A 47 3.516 -5.957 2.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.076 -5.338 7.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.118 -4.123 3.763 1.00 0.00 H new ATOM 0 HH2 TRP A 47 1.846 -3.841 6.215 1.00 0.00 H new ATOM 394 N ASP A 48 8.607 -7.748 4.190 1.00 0.00 N ATOM 395 CA ASP A 48 9.558 -7.522 5.266 1.00 0.00 C ATOM 396 C ASP A 48 10.570 -6.441 4.923 1.00 0.00 C ATOM 397 O ASP A 48 11.016 -5.707 5.799 1.00 0.00 O ATOM 398 CB ASP A 48 10.314 -8.825 5.503 1.00 0.00 C ATOM 399 CG ASP A 48 9.441 -9.899 6.146 1.00 0.00 C ATOM 400 OD1 ASP A 48 9.272 -9.906 7.387 1.00 0.00 O ATOM 401 OD2 ASP A 48 8.899 -10.736 5.388 1.00 0.00 O ATOM 0 H ASP A 48 8.680 -8.670 3.760 1.00 0.00 H new ATOM 0 HA ASP A 48 9.006 -7.197 6.148 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.700 -9.195 4.553 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.175 -8.630 6.142 1.00 0.00 H new ATOM 406 N ASP A 49 10.923 -6.370 3.649 1.00 0.00 N ATOM 407 CA ASP A 49 11.932 -5.504 3.036 1.00 0.00 C ATOM 408 C ASP A 49 11.488 -4.055 2.972 1.00 0.00 C ATOM 409 O ASP A 49 12.270 -3.123 3.172 1.00 0.00 O ATOM 410 CB ASP A 49 12.190 -6.019 1.604 1.00 0.00 C ATOM 411 CG ASP A 49 13.607 -5.860 1.067 1.00 0.00 C ATOM 412 OD1 ASP A 49 14.552 -5.541 1.821 1.00 0.00 O ATOM 413 OD2 ASP A 49 13.789 -6.112 -0.148 1.00 0.00 O ATOM 0 H ASP A 49 10.475 -6.966 2.953 1.00 0.00 H new ATOM 0 HA ASP A 49 12.834 -5.537 3.647 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.930 -7.077 1.570 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.509 -5.501 0.928 1.00 0.00 H new ATOM 418 N VAL A 50 10.204 -3.893 2.699 1.00 0.00 N ATOM 419 CA VAL A 50 9.452 -2.667 2.699 1.00 0.00 C ATOM 420 C VAL A 50 9.137 -2.300 4.144 1.00 0.00 C ATOM 421 O VAL A 50 9.418 -1.171 4.508 1.00 0.00 O ATOM 422 CB VAL A 50 8.221 -2.935 1.829 1.00 0.00 C ATOM 423 CG1 VAL A 50 7.136 -1.870 1.987 1.00 0.00 C ATOM 424 CG2 VAL A 50 8.633 -2.985 0.343 1.00 0.00 C ATOM 0 H VAL A 50 9.618 -4.691 2.451 1.00 0.00 H new ATOM 0 HA VAL A 50 9.983 -1.810 2.285 1.00 0.00 H new ATOM 0 HB VAL A 50 7.811 -3.889 2.160 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.289 -2.115 1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.807 -1.837 3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.537 -0.897 1.703 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.754 -3.176 -0.272 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.076 -2.032 0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.360 -3.783 0.194 1.00 0.00 H new ATOM 434 N ALA A 51 8.651 -3.208 4.995 1.00 0.00 N ATOM 435 CA ALA A 51 8.419 -2.955 6.419 1.00 0.00 C ATOM 436 C ALA A 51 9.724 -2.583 7.151 1.00 0.00 C ATOM 437 O ALA A 51 9.704 -1.981 8.228 1.00 0.00 O ATOM 438 CB ALA A 51 7.729 -4.169 7.055 1.00 0.00 C ATOM 0 H ALA A 51 8.404 -4.155 4.709 1.00 0.00 H new ATOM 0 HA ALA A 51 7.758 -2.094 6.518 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.558 -3.977 8.114 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.774 -4.346 6.560 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.364 -5.048 6.943 1.00 0.00 H new ATOM 444 N GLU A 52 10.874 -2.921 6.567 1.00 0.00 N ATOM 445 CA GLU A 52 12.205 -2.546 7.012 1.00 0.00 C ATOM 446 C GLU A 52 12.593 -1.119 6.617 1.00 0.00 C ATOM 447 O GLU A 52 13.573 -0.571 7.135 1.00 0.00 O ATOM 448 CB GLU A 52 13.230 -3.519 6.410 1.00 0.00 C ATOM 449 CG GLU A 52 13.594 -4.623 7.402 1.00 0.00 C ATOM 450 CD GLU A 52 14.756 -4.203 8.296 1.00 0.00 C ATOM 451 OE1 GLU A 52 15.849 -3.917 7.752 1.00 0.00 O ATOM 452 OE2 GLU A 52 14.567 -4.155 9.536 1.00 0.00 O ATOM 0 H GLU A 52 10.897 -3.496 5.725 1.00 0.00 H new ATOM 0 HA GLU A 52 12.200 -2.592 8.101 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.824 -3.963 5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.129 -2.973 6.124 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.727 -4.862 8.017 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.859 -5.530 6.859 1.00 0.00 H new ATOM 459 N ARG A 53 11.864 -0.513 5.685 1.00 0.00 N ATOM 460 CA ARG A 53 12.220 0.742 5.032 1.00 0.00 C ATOM 461 C ARG A 53 11.094 1.752 5.116 1.00 0.00 C ATOM 462 O ARG A 53 11.364 2.930 4.925 1.00 0.00 O ATOM 463 CB ARG A 53 12.652 0.457 3.580 1.00 0.00 C ATOM 464 CG ARG A 53 13.996 -0.279 3.617 1.00 0.00 C ATOM 465 CD ARG A 53 14.521 -0.791 2.275 1.00 0.00 C ATOM 466 NE ARG A 53 15.838 -1.422 2.468 1.00 0.00 N ATOM 467 CZ ARG A 53 16.099 -2.535 3.170 1.00 0.00 C ATOM 468 NH1 ARG A 53 15.123 -3.316 3.616 1.00 0.00 N ATOM 469 NH2 ARG A 53 17.357 -2.838 3.469 1.00 0.00 N ATOM 0 H ARG A 53 10.979 -0.895 5.352 1.00 0.00 H new ATOM 0 HA ARG A 53 13.063 1.193 5.555 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.901 -0.148 3.072 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.744 1.388 3.021 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.742 0.391 4.044 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.904 -1.127 4.295 1.00 0.00 H new ATOM 0 HD2 ARG A 53 13.821 -1.510 1.850 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.602 0.033 1.566 1.00 0.00 H new ATOM 0 HE ARG A 53 16.634 -0.966 2.022 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.150 -3.075 3.427 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.346 -4.157 4.148 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.115 -2.227 3.165 1.00 0.00 H new ATOM 0 HH22 ARG A 53 17.565 -3.682 4.002 1.00 0.00 H new ATOM 483 N VAL A 54 9.879 1.332 5.446 1.00 0.00 N ATOM 484 CA VAL A 54 8.730 2.168 5.683 1.00 0.00 C ATOM 485 C VAL A 54 7.765 1.401 6.591 1.00 0.00 C ATOM 486 O VAL A 54 7.911 0.194 6.771 1.00 0.00 O ATOM 487 CB VAL A 54 8.045 2.482 4.340 1.00 0.00 C ATOM 488 CG1 VAL A 54 8.703 3.629 3.574 1.00 0.00 C ATOM 489 CG2 VAL A 54 7.891 1.298 3.373 1.00 0.00 C ATOM 0 H VAL A 54 9.667 0.341 5.559 1.00 0.00 H new ATOM 0 HA VAL A 54 9.026 3.104 6.156 1.00 0.00 H new ATOM 0 HB VAL A 54 7.048 2.770 4.673 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.169 3.795 2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.669 4.536 4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.741 3.375 3.359 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.397 1.634 2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.875 0.900 3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.292 0.519 3.844 1.00 0.00 H new ATOM 499 N VAL A 55 6.755 2.074 7.132 1.00 0.00 N ATOM 500 CA VAL A 55 5.619 1.468 7.820 1.00 0.00 C ATOM 501 C VAL A 55 4.346 2.171 7.336 1.00 0.00 C ATOM 502 O VAL A 55 4.426 3.161 6.607 1.00 0.00 O ATOM 503 CB VAL A 55 5.808 1.496 9.351 1.00 0.00 C ATOM 504 CG1 VAL A 55 6.983 0.599 9.759 1.00 0.00 C ATOM 505 CG2 VAL A 55 6.018 2.909 9.920 1.00 0.00 C ATOM 0 H VAL A 55 6.702 3.092 7.103 1.00 0.00 H new ATOM 0 HA VAL A 55 5.536 0.409 7.576 1.00 0.00 H new ATOM 0 HB VAL A 55 4.878 1.119 9.776 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.104 0.629 10.842 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.785 -0.426 9.444 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.896 0.955 9.282 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.144 2.851 11.001 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.909 3.352 9.474 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.151 3.527 9.688 1.00 0.00 H new ATOM 515 N ALA A 56 3.160 1.709 7.749 1.00 0.00 N ATOM 516 CA ALA A 56 1.888 2.272 7.290 1.00 0.00 C ATOM 517 C ALA A 56 1.762 3.778 7.552 1.00 0.00 C ATOM 518 O ALA A 56 0.969 4.432 6.883 1.00 0.00 O ATOM 519 CB ALA A 56 0.707 1.543 7.940 1.00 0.00 C ATOM 0 H ALA A 56 3.057 0.937 8.408 1.00 0.00 H new ATOM 0 HA ALA A 56 1.869 2.127 6.210 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.228 1.977 7.585 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.741 0.486 7.674 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.767 1.647 9.023 1.00 0.00 H new ATOM 525 N ASP A 57 2.495 4.316 8.531 1.00 0.00 N ATOM 526 CA ASP A 57 2.468 5.730 8.894 1.00 0.00 C ATOM 527 C ASP A 57 3.485 6.570 8.110 1.00 0.00 C ATOM 528 O ASP A 57 3.401 7.799 8.169 1.00 0.00 O ATOM 529 CB ASP A 57 2.679 5.892 10.409 1.00 0.00 C ATOM 530 CG ASP A 57 1.358 5.830 11.174 1.00 0.00 C ATOM 531 OD1 ASP A 57 0.920 4.709 11.530 1.00 0.00 O ATOM 532 OD2 ASP A 57 0.757 6.896 11.455 1.00 0.00 O ATOM 0 H ASP A 57 3.136 3.767 9.103 1.00 0.00 H new ATOM 0 HA ASP A 57 1.483 6.110 8.623 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.345 5.108 10.769 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.170 6.844 10.608 1.00 0.00 H new ATOM 537 N ASP A 58 4.431 5.971 7.373 1.00 0.00 N ATOM 538 CA ASP A 58 5.269 6.709 6.422 1.00 0.00 C ATOM 539 C ASP A 58 4.377 7.160 5.270 1.00 0.00 C ATOM 540 O ASP A 58 4.512 8.274 4.753 1.00 0.00 O ATOM 541 CB ASP A 58 6.393 5.839 5.845 1.00 0.00 C ATOM 542 CG ASP A 58 7.604 5.754 6.760 1.00 0.00 C ATOM 543 OD1 ASP A 58 8.404 6.713 6.811 1.00 0.00 O ATOM 544 OD2 ASP A 58 7.752 4.720 7.445 1.00 0.00 O ATOM 0 H ASP A 58 4.634 4.973 7.419 1.00 0.00 H new ATOM 0 HA ASP A 58 5.728 7.548 6.945 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.011 4.835 5.662 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.700 6.244 4.881 1.00 0.00 H new ATOM 549 N PHE A 59 3.449 6.288 4.875 1.00 0.00 N ATOM 550 CA PHE A 59 2.369 6.607 3.969 1.00 0.00 C ATOM 551 C PHE A 59 1.345 7.455 4.735 1.00 0.00 C ATOM 552 O PHE A 59 1.257 7.443 5.963 1.00 0.00 O ATOM 553 CB PHE A 59 1.720 5.313 3.450 1.00 0.00 C ATOM 554 CG PHE A 59 2.598 4.387 2.624 1.00 0.00 C ATOM 555 CD1 PHE A 59 3.537 3.557 3.263 1.00 0.00 C ATOM 556 CD2 PHE A 59 2.424 4.282 1.229 1.00 0.00 C ATOM 557 CE1 PHE A 59 4.304 2.642 2.525 1.00 0.00 C ATOM 558 CE2 PHE A 59 3.162 3.331 0.497 1.00 0.00 C ATOM 559 CZ PHE A 59 4.107 2.516 1.141 1.00 0.00 C ATOM 0 H PHE A 59 3.436 5.318 5.190 1.00 0.00 H new ATOM 0 HA PHE A 59 2.742 7.163 3.109 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.348 4.752 4.308 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.854 5.586 2.848 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.669 3.625 4.333 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.725 4.930 0.722 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.046 2.035 3.022 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.000 3.228 -0.566 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.679 1.796 0.574 1.00 0.00 H new ATOM 569 N TYR A 60 0.524 8.173 3.984 1.00 0.00 N ATOM 570 CA TYR A 60 -0.472 9.127 4.437 1.00 0.00 C ATOM 571 C TYR A 60 -1.744 9.014 3.611 1.00 0.00 C ATOM 572 O TYR A 60 -2.853 9.165 4.128 1.00 0.00 O ATOM 573 CB TYR A 60 0.139 10.504 4.203 1.00 0.00 C ATOM 574 CG TYR A 60 -0.834 11.651 3.977 1.00 0.00 C ATOM 575 CD1 TYR A 60 -1.480 12.254 5.069 1.00 0.00 C ATOM 576 CD2 TYR A 60 -0.978 12.202 2.687 1.00 0.00 C ATOM 577 CE1 TYR A 60 -2.240 13.424 4.882 1.00 0.00 C ATOM 578 CE2 TYR A 60 -1.718 13.382 2.501 1.00 0.00 C ATOM 579 CZ TYR A 60 -2.360 13.996 3.597 1.00 0.00 C ATOM 580 OH TYR A 60 -3.113 15.113 3.417 1.00 0.00 O ATOM 0 H TYR A 60 0.539 8.097 2.967 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.731 8.949 5.481 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.763 10.751 5.062 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.799 10.441 3.338 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.393 11.819 6.054 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.518 11.716 1.839 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.733 13.886 5.725 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.795 13.820 1.517 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.088 15.376 2.473 1.00 0.00 H new ATOM 590 N THR A 61 -1.580 8.690 2.337 1.00 0.00 N ATOM 591 CA THR A 61 -2.615 8.762 1.336 1.00 0.00 C ATOM 592 C THR A 61 -3.576 7.615 1.605 1.00 0.00 C ATOM 593 O THR A 61 -3.169 6.456 1.653 1.00 0.00 O ATOM 594 CB THR A 61 -1.939 8.798 -0.011 1.00 0.00 C ATOM 595 OG1 THR A 61 -0.989 9.850 -0.026 1.00 0.00 O ATOM 596 CG2 THR A 61 -2.850 9.003 -1.205 1.00 0.00 C ATOM 0 H THR A 61 -0.689 8.359 1.967 1.00 0.00 H new ATOM 0 HA THR A 61 -3.231 9.661 1.362 1.00 0.00 H new ATOM 0 HB THR A 61 -1.499 7.807 -0.122 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.096 9.482 -0.195 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.256 9.012 -2.119 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.576 8.191 -1.252 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.374 9.953 -1.104 1.00 0.00 H new ATOM 604 N ARG A 62 -4.834 7.959 1.893 1.00 0.00 N ATOM 605 CA ARG A 62 -5.839 7.037 2.411 1.00 0.00 C ATOM 606 C ARG A 62 -5.909 5.712 1.664 1.00 0.00 C ATOM 607 O ARG A 62 -5.819 4.702 2.361 1.00 0.00 O ATOM 608 CB ARG A 62 -7.212 7.705 2.557 1.00 0.00 C ATOM 609 CG ARG A 62 -7.208 8.703 3.727 1.00 0.00 C ATOM 610 CD ARG A 62 -8.638 9.114 4.071 1.00 0.00 C ATOM 611 NE ARG A 62 -8.688 9.969 5.262 1.00 0.00 N ATOM 612 CZ ARG A 62 -9.800 10.495 5.784 1.00 0.00 C ATOM 613 NH1 ARG A 62 -10.984 10.254 5.236 1.00 0.00 N ATOM 614 NH2 ARG A 62 -9.698 11.269 6.857 1.00 0.00 N ATOM 0 H ARG A 62 -5.186 8.908 1.769 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.502 6.773 3.414 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.471 8.221 1.633 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.976 6.945 2.723 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.731 8.253 4.598 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.622 9.583 3.462 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -9.077 9.643 3.225 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.242 8.222 4.238 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.805 10.178 5.728 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -11.052 9.662 4.408 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.826 10.661 5.643 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.783 11.453 7.268 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.535 11.680 7.271 1.00 0.00 H new ATOM 628 N PRO A 63 -6.033 5.642 0.325 1.00 0.00 N ATOM 629 CA PRO A 63 -5.988 4.356 -0.344 1.00 0.00 C ATOM 630 C PRO A 63 -4.629 3.700 -0.070 1.00 0.00 C ATOM 631 O PRO A 63 -4.614 2.616 0.476 1.00 0.00 O ATOM 632 CB PRO A 63 -6.247 4.623 -1.827 1.00 0.00 C ATOM 633 CG PRO A 63 -5.835 6.083 -2.000 1.00 0.00 C ATOM 634 CD PRO A 63 -6.213 6.706 -0.654 1.00 0.00 C ATOM 0 HA PRO A 63 -6.743 3.659 0.019 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.659 3.961 -2.463 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.294 4.467 -2.087 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.769 6.180 -2.205 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.364 6.557 -2.827 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.579 7.563 -0.425 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.243 7.064 -0.661 1.00 0.00 H new ATOM 642 N HIS A 64 -3.488 4.322 -0.363 1.00 0.00 N ATOM 643 CA HIS A 64 -2.174 3.684 -0.204 1.00 0.00 C ATOM 644 C HIS A 64 -1.965 3.085 1.204 1.00 0.00 C ATOM 645 O HIS A 64 -1.490 1.958 1.352 1.00 0.00 O ATOM 646 CB HIS A 64 -1.082 4.712 -0.552 1.00 0.00 C ATOM 647 CG HIS A 64 -1.106 5.272 -1.961 1.00 0.00 C ATOM 648 ND1 HIS A 64 -0.191 6.170 -2.469 1.00 0.00 N ATOM 649 CD2 HIS A 64 -1.953 4.931 -2.985 1.00 0.00 C ATOM 650 CE1 HIS A 64 -0.445 6.313 -3.785 1.00 0.00 C ATOM 651 NE2 HIS A 64 -1.541 5.619 -4.124 1.00 0.00 N ATOM 0 H HIS A 64 -3.444 5.278 -0.716 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.115 2.838 -0.888 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.161 5.544 0.148 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.110 4.247 -0.386 1.00 0.00 H new ATOM 0 HD1 HIS A 64 0.545 6.641 -1.944 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.789 4.251 -2.920 1.00 0.00 H new ATOM 0 HE1 HIS A 64 0.149 6.902 -4.468 1.00 0.00 H new ATOM 659 N ARG A 65 -2.385 3.799 2.247 1.00 0.00 N ATOM 660 CA ARG A 65 -2.330 3.345 3.635 1.00 0.00 C ATOM 661 C ARG A 65 -3.158 2.095 3.894 1.00 0.00 C ATOM 662 O ARG A 65 -2.785 1.284 4.744 1.00 0.00 O ATOM 663 CB ARG A 65 -2.859 4.466 4.540 1.00 0.00 C ATOM 664 CG ARG A 65 -1.723 5.405 4.990 1.00 0.00 C ATOM 665 CD ARG A 65 -1.838 5.901 6.434 1.00 0.00 C ATOM 666 NE ARG A 65 -2.812 6.991 6.620 1.00 0.00 N ATOM 667 CZ ARG A 65 -3.271 7.371 7.822 1.00 0.00 C ATOM 668 NH1 ARG A 65 -2.964 6.695 8.924 1.00 0.00 N ATOM 669 NH2 ARG A 65 -4.034 8.446 7.948 1.00 0.00 N ATOM 0 H ARG A 65 -2.783 4.733 2.147 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.290 3.099 3.848 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.618 5.039 4.007 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.343 4.032 5.415 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.772 4.885 4.873 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.698 6.268 4.325 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.119 5.064 7.073 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.858 6.242 6.769 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.154 7.481 5.794 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.368 5.869 8.866 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.324 7.002 9.828 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.280 8.996 7.125 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.376 8.724 8.868 1.00 0.00 H new ATOM 683 N HIS A 66 -4.302 1.964 3.233 1.00 0.00 N ATOM 684 CA HIS A 66 -5.252 0.911 3.354 1.00 0.00 C ATOM 685 C HIS A 66 -4.509 -0.389 3.090 1.00 0.00 C ATOM 686 O HIS A 66 -4.549 -1.279 3.934 1.00 0.00 O ATOM 687 CB HIS A 66 -6.408 1.239 2.379 1.00 0.00 C ATOM 688 CG HIS A 66 -6.515 0.435 1.115 1.00 0.00 C ATOM 689 ND1 HIS A 66 -6.550 0.820 -0.201 1.00 0.00 N ATOM 690 CD2 HIS A 66 -6.645 -0.899 1.144 1.00 0.00 C ATOM 691 CE1 HIS A 66 -6.716 -0.286 -0.946 1.00 0.00 C ATOM 692 NE2 HIS A 66 -6.757 -1.367 -0.158 1.00 0.00 N ATOM 0 H HIS A 66 -4.595 2.659 2.547 1.00 0.00 H new ATOM 0 HA HIS A 66 -5.706 0.804 4.339 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.346 1.130 2.924 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.322 2.289 2.100 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -6.465 1.774 -0.551 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.660 -1.510 2.035 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.803 -0.300 -2.022 1.00 0.00 H new ATOM 700 N ILE A 67 -3.853 -0.470 1.927 1.00 0.00 N ATOM 701 CA ILE A 67 -3.133 -1.662 1.477 1.00 0.00 C ATOM 702 C ILE A 67 -2.180 -2.074 2.596 1.00 0.00 C ATOM 703 O ILE A 67 -2.301 -3.184 3.103 1.00 0.00 O ATOM 704 CB ILE A 67 -2.407 -1.488 0.112 1.00 0.00 C ATOM 705 CG1 ILE A 67 -3.359 -1.337 -1.094 1.00 0.00 C ATOM 706 CG2 ILE A 67 -1.553 -2.732 -0.179 1.00 0.00 C ATOM 707 CD1 ILE A 67 -3.608 0.126 -1.442 1.00 0.00 C ATOM 0 H ILE A 67 -3.808 0.303 1.264 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.856 -2.454 1.280 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.822 -0.574 0.215 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.934 -1.848 -1.958 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.308 -1.824 -0.870 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.045 -2.609 -1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.813 -2.858 0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.194 -3.612 -0.220 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.283 0.187 -2.296 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.057 0.632 -0.587 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.662 0.607 -1.692 1.00 0.00 H new ATOM 719 N PHE A 68 -1.287 -1.177 3.024 1.00 0.00 N ATOM 720 CA PHE A 68 -0.305 -1.483 4.062 1.00 0.00 C ATOM 721 C PHE A 68 -0.991 -1.994 5.339 1.00 0.00 C ATOM 722 O PHE A 68 -0.503 -2.918 5.984 1.00 0.00 O ATOM 723 CB PHE A 68 0.558 -0.239 4.340 1.00 0.00 C ATOM 724 CG PHE A 68 1.988 -0.540 4.756 1.00 0.00 C ATOM 725 CD1 PHE A 68 2.276 -1.144 5.997 1.00 0.00 C ATOM 726 CD2 PHE A 68 3.047 -0.227 3.883 1.00 0.00 C ATOM 727 CE1 PHE A 68 3.604 -1.439 6.355 1.00 0.00 C ATOM 728 CE2 PHE A 68 4.374 -0.517 4.243 1.00 0.00 C ATOM 729 CZ PHE A 68 4.655 -1.128 5.475 1.00 0.00 C ATOM 0 H PHE A 68 -1.226 -0.225 2.662 1.00 0.00 H new ATOM 0 HA PHE A 68 0.346 -2.283 3.710 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.577 0.381 3.444 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.082 0.349 5.124 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.472 -1.382 6.677 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.838 0.239 2.931 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.816 -1.905 7.306 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.181 -0.269 3.569 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.675 -1.358 5.746 1.00 0.00 H new ATOM 739 N THR A 69 -2.125 -1.405 5.717 1.00 0.00 N ATOM 740 CA THR A 69 -2.887 -1.822 6.884 1.00 0.00 C ATOM 741 C THR A 69 -3.473 -3.225 6.715 1.00 0.00 C ATOM 742 O THR A 69 -3.325 -4.033 7.625 1.00 0.00 O ATOM 743 CB THR A 69 -3.955 -0.770 7.216 1.00 0.00 C ATOM 744 OG1 THR A 69 -3.399 0.537 7.247 1.00 0.00 O ATOM 745 CG2 THR A 69 -4.574 -1.024 8.589 1.00 0.00 C ATOM 0 H THR A 69 -2.540 -0.620 5.216 1.00 0.00 H new ATOM 0 HA THR A 69 -2.209 -1.889 7.735 1.00 0.00 H new ATOM 0 HB THR A 69 -4.711 -0.846 6.435 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.407 0.917 6.344 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.326 -0.263 8.795 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.041 -2.009 8.601 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.797 -0.982 9.352 1.00 0.00 H new ATOM 753 N GLU A 70 -4.155 -3.538 5.610 1.00 0.00 N ATOM 754 CA GLU A 70 -4.781 -4.852 5.486 1.00 0.00 C ATOM 755 C GLU A 70 -3.738 -5.932 5.168 1.00 0.00 C ATOM 756 O GLU A 70 -3.924 -7.079 5.562 1.00 0.00 O ATOM 757 CB GLU A 70 -5.968 -4.824 4.510 1.00 0.00 C ATOM 758 CG GLU A 70 -6.891 -6.052 4.667 1.00 0.00 C ATOM 759 CD GLU A 70 -7.697 -6.093 5.974 1.00 0.00 C ATOM 760 OE1 GLU A 70 -7.644 -5.122 6.762 1.00 0.00 O ATOM 761 OE2 GLU A 70 -8.448 -7.074 6.190 1.00 0.00 O ATOM 0 H GLU A 70 -4.285 -2.918 4.811 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.209 -5.125 6.451 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.547 -3.915 4.673 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.593 -4.784 3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.586 -6.075 3.828 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.284 -6.955 4.603 1.00 0.00 H new ATOM 768 N MET A 71 -2.611 -5.584 4.538 1.00 0.00 N ATOM 769 CA MET A 71 -1.474 -6.489 4.405 1.00 0.00 C ATOM 770 C MET A 71 -0.938 -6.815 5.796 1.00 0.00 C ATOM 771 O MET A 71 -0.791 -7.992 6.116 1.00 0.00 O ATOM 772 CB MET A 71 -0.359 -5.873 3.556 1.00 0.00 C ATOM 773 CG MET A 71 -0.682 -5.836 2.066 1.00 0.00 C ATOM 774 SD MET A 71 0.688 -5.184 1.087 1.00 0.00 S ATOM 775 CE MET A 71 0.095 -5.568 -0.578 1.00 0.00 C ATOM 0 H MET A 71 -2.466 -4.670 4.109 1.00 0.00 H new ATOM 0 HA MET A 71 -1.811 -7.396 3.903 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.166 -4.858 3.904 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.559 -6.441 3.707 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.925 -6.842 1.723 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.567 -5.222 1.903 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.247 -4.705 -1.226 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.647 -6.421 -0.973 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.967 -5.810 -0.539 1.00 0.00 H new ATOM 785 N ALA A 72 -0.699 -5.796 6.632 1.00 0.00 N ATOM 786 CA ALA A 72 -0.289 -5.990 8.014 1.00 0.00 C ATOM 787 C ALA A 72 -1.302 -6.860 8.755 1.00 0.00 C ATOM 788 O ALA A 72 -0.899 -7.796 9.433 1.00 0.00 O ATOM 789 CB ALA A 72 -0.106 -4.645 8.727 1.00 0.00 C ATOM 0 H ALA A 72 -0.787 -4.816 6.361 1.00 0.00 H new ATOM 0 HA ALA A 72 0.673 -6.503 8.014 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.201 -4.819 9.758 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.659 -4.063 8.214 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.048 -4.096 8.716 1.00 0.00 H new ATOM 795 N ARG A 73 -2.606 -6.595 8.610 1.00 0.00 N ATOM 796 CA ARG A 73 -3.651 -7.410 9.236 1.00 0.00 C ATOM 797 C ARG A 73 -3.544 -8.855 8.812 1.00 0.00 C ATOM 798 O ARG A 73 -3.571 -9.741 9.665 1.00 0.00 O ATOM 799 CB ARG A 73 -5.060 -6.887 8.886 1.00 0.00 C ATOM 800 CG ARG A 73 -5.439 -5.594 9.613 1.00 0.00 C ATOM 801 CD ARG A 73 -6.173 -5.923 10.916 1.00 0.00 C ATOM 802 NE ARG A 73 -6.052 -4.833 11.889 1.00 0.00 N ATOM 803 CZ ARG A 73 -6.448 -4.906 13.161 1.00 0.00 C ATOM 804 NH1 ARG A 73 -7.213 -5.911 13.575 1.00 0.00 N ATOM 805 NH2 ARG A 73 -6.058 -3.969 14.018 1.00 0.00 N ATOM 0 H ARG A 73 -2.964 -5.815 8.059 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.502 -7.338 10.313 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.118 -6.718 7.811 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.793 -7.657 9.128 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.543 -5.011 9.828 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.073 -4.980 8.974 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -7.226 -6.109 10.705 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.767 -6.840 11.343 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.636 -3.958 11.571 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.503 -6.636 12.918 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.510 -5.958 14.550 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.462 -3.204 13.701 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.354 -4.014 14.993 1.00 0.00 H new ATOM 819 N LEU A 74 -3.463 -9.107 7.510 1.00 0.00 N ATOM 820 CA LEU A 74 -3.432 -10.445 6.985 1.00 0.00 C ATOM 821 C LEU A 74 -2.194 -11.148 7.484 1.00 0.00 C ATOM 822 O LEU A 74 -2.335 -12.212 8.082 1.00 0.00 O ATOM 823 CB LEU A 74 -3.489 -10.391 5.456 1.00 0.00 C ATOM 824 CG LEU A 74 -4.918 -10.243 4.909 1.00 0.00 C ATOM 825 CD1 LEU A 74 -4.852 -9.938 3.411 1.00 0.00 C ATOM 826 CD2 LEU A 74 -5.747 -11.517 5.119 1.00 0.00 C ATOM 0 H LEU A 74 -3.417 -8.379 6.797 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.297 -11.013 7.329 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.884 -9.555 5.105 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.043 -11.299 5.050 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.401 -9.431 5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.863 -9.832 3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.301 -9.011 3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.345 -10.754 2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.750 -11.369 4.718 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.270 -12.351 4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.811 -11.738 6.184 1.00 0.00 H new ATOM 838 N GLN A 75 -1.016 -10.551 7.322 1.00 0.00 N ATOM 839 CA GLN A 75 0.220 -11.135 7.801 1.00 0.00 C ATOM 840 C GLN A 75 0.128 -11.415 9.285 1.00 0.00 C ATOM 841 O GLN A 75 0.475 -12.517 9.706 1.00 0.00 O ATOM 842 CB GLN A 75 1.389 -10.169 7.554 1.00 0.00 C ATOM 843 CG GLN A 75 2.740 -10.886 7.735 1.00 0.00 C ATOM 844 CD GLN A 75 3.898 -9.995 8.143 1.00 0.00 C ATOM 845 OE1 GLN A 75 3.730 -8.963 8.792 1.00 0.00 O ATOM 846 NE2 GLN A 75 5.112 -10.419 7.841 1.00 0.00 N ATOM 0 H GLN A 75 -0.898 -9.652 6.856 1.00 0.00 H new ATOM 0 HA GLN A 75 0.389 -12.067 7.262 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.322 -9.760 6.546 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.323 -9.328 8.244 1.00 0.00 H new ATOM 0 HG2 GLN A 75 2.621 -11.666 8.487 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.997 -11.382 6.799 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.233 -11.277 7.302 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.928 -9.889 8.147 1.00 0.00 H new ATOM 855 N GLU A 76 -0.352 -10.450 10.066 1.00 0.00 N ATOM 856 CA GLU A 76 -0.455 -10.619 11.502 1.00 0.00 C ATOM 857 C GLU A 76 -1.406 -11.767 11.833 1.00 0.00 C ATOM 858 O GLU A 76 -1.123 -12.544 12.748 1.00 0.00 O ATOM 859 CB GLU A 76 -0.821 -9.299 12.193 1.00 0.00 C ATOM 860 CG GLU A 76 -0.726 -9.474 13.713 1.00 0.00 C ATOM 861 CD GLU A 76 -0.761 -8.162 14.492 1.00 0.00 C ATOM 862 OE1 GLU A 76 -1.552 -7.251 14.166 1.00 0.00 O ATOM 863 OE2 GLU A 76 -0.045 -8.070 15.518 1.00 0.00 O ATOM 0 H GLU A 76 -0.674 -9.545 9.723 1.00 0.00 H new ATOM 0 HA GLU A 76 0.520 -10.897 11.901 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.149 -8.506 11.865 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.830 -8.998 11.913 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.549 -10.106 14.048 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.198 -10.001 13.951 1.00 0.00 H new ATOM 870 N SER A 77 -2.444 -11.988 11.024 1.00 0.00 N ATOM 871 CA SER A 77 -3.353 -13.099 11.247 1.00 0.00 C ATOM 872 C SER A 77 -2.818 -14.413 10.653 1.00 0.00 C ATOM 873 O SER A 77 -3.445 -15.453 10.859 1.00 0.00 O ATOM 874 CB SER A 77 -4.741 -12.720 10.725 1.00 0.00 C ATOM 875 OG SER A 77 -4.782 -12.576 9.320 1.00 0.00 O ATOM 0 H SER A 77 -2.670 -11.412 10.214 1.00 0.00 H new ATOM 0 HA SER A 77 -3.434 -13.291 12.317 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.458 -13.483 11.028 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.055 -11.786 11.190 1.00 0.00 H new ATOM 0 HG SER A 77 -3.872 -12.452 8.977 1.00 0.00 H new ATOM 881 N GLY A 78 -1.653 -14.407 9.990 1.00 0.00 N ATOM 882 CA GLY A 78 -0.997 -15.592 9.448 1.00 0.00 C ATOM 883 C GLY A 78 -1.350 -15.843 7.982 1.00 0.00 C ATOM 884 O GLY A 78 -1.157 -16.959 7.495 1.00 0.00 O ATOM 0 H GLY A 78 -1.130 -13.549 9.814 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.083 -15.480 9.543 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.281 -16.462 10.040 1.00 0.00 H new ATOM 888 N SER A 79 -1.853 -14.845 7.257 1.00 0.00 N ATOM 889 CA SER A 79 -2.445 -14.998 5.931 1.00 0.00 C ATOM 890 C SER A 79 -1.590 -14.272 4.883 1.00 0.00 C ATOM 891 O SER A 79 -0.915 -13.296 5.231 1.00 0.00 O ATOM 892 CB SER A 79 -3.869 -14.429 5.973 1.00 0.00 C ATOM 893 OG SER A 79 -4.645 -15.016 7.005 1.00 0.00 O ATOM 0 H SER A 79 -1.860 -13.880 7.587 1.00 0.00 H new ATOM 0 HA SER A 79 -2.483 -16.051 5.651 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.824 -13.350 6.122 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.356 -14.598 5.012 1.00 0.00 H new ATOM 0 HG SER A 79 -5.544 -14.626 7.000 1.00 0.00 H new ATOM 899 N PRO A 80 -1.572 -14.723 3.616 1.00 0.00 N ATOM 900 CA PRO A 80 -0.738 -14.124 2.584 1.00 0.00 C ATOM 901 C PRO A 80 -1.163 -12.693 2.301 1.00 0.00 C ATOM 902 O PRO A 80 -2.346 -12.364 2.394 1.00 0.00 O ATOM 903 CB PRO A 80 -0.915 -14.975 1.325 1.00 0.00 C ATOM 904 CG PRO A 80 -2.165 -15.815 1.581 1.00 0.00 C ATOM 905 CD PRO A 80 -2.292 -15.873 3.100 1.00 0.00 C ATOM 0 HA PRO A 80 0.303 -14.096 2.907 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -1.036 -14.349 0.441 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -0.044 -15.607 1.152 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.046 -15.361 1.128 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.065 -16.813 1.154 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.338 -15.844 3.404 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -1.873 -16.801 3.490 1.00 0.00 H new ATOM 913 N ILE A 81 -0.226 -11.886 1.812 1.00 0.00 N ATOM 914 CA ILE A 81 -0.491 -10.507 1.425 1.00 0.00 C ATOM 915 C ILE A 81 -0.819 -10.428 -0.077 1.00 0.00 C ATOM 916 O ILE A 81 -0.611 -9.394 -0.709 1.00 0.00 O ATOM 917 CB ILE A 81 0.667 -9.590 1.885 1.00 0.00 C ATOM 918 CG1 ILE A 81 2.000 -9.852 1.150 1.00 0.00 C ATOM 919 CG2 ILE A 81 0.896 -9.660 3.412 1.00 0.00 C ATOM 920 CD1 ILE A 81 2.703 -8.531 0.847 1.00 0.00 C ATOM 0 H ILE A 81 0.743 -12.173 1.673 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.378 -10.133 1.935 1.00 0.00 H new ATOM 0 HB ILE A 81 0.340 -8.585 1.618 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.644 -10.483 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.812 -10.394 0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.718 -9.000 3.687 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.010 -9.347 3.931 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.141 -10.683 3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.641 -8.729 0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.063 -7.915 0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.907 -8.005 1.780 1.00 0.00 H new ATOM 932 N ASP A 82 -1.345 -11.518 -0.652 1.00 0.00 N ATOM 933 CA ASP A 82 -1.739 -11.591 -2.063 1.00 0.00 C ATOM 934 C ASP A 82 -2.876 -10.614 -2.374 1.00 0.00 C ATOM 935 O ASP A 82 -3.627 -10.205 -1.481 1.00 0.00 O ATOM 936 CB ASP A 82 -2.245 -13.007 -2.397 1.00 0.00 C ATOM 937 CG ASP A 82 -1.903 -13.451 -3.815 1.00 0.00 C ATOM 938 OD1 ASP A 82 -2.185 -12.694 -4.769 1.00 0.00 O ATOM 939 OD2 ASP A 82 -1.404 -14.590 -3.970 1.00 0.00 O ATOM 0 H ASP A 82 -1.511 -12.385 -0.142 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.860 -11.338 -2.656 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.816 -13.715 -1.688 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.326 -13.040 -2.264 1.00 0.00 H new ATOM 944 N LEU A 83 -3.048 -10.287 -3.654 1.00 0.00 N ATOM 945 CA LEU A 83 -4.072 -9.393 -4.191 1.00 0.00 C ATOM 946 C LEU A 83 -5.448 -9.873 -3.770 1.00 0.00 C ATOM 947 O LEU A 83 -6.212 -9.125 -3.162 1.00 0.00 O ATOM 948 CB LEU A 83 -3.945 -9.387 -5.728 1.00 0.00 C ATOM 949 CG LEU A 83 -4.595 -8.234 -6.509 1.00 0.00 C ATOM 950 CD1 LEU A 83 -6.048 -7.898 -6.184 1.00 0.00 C ATOM 951 CD2 LEU A 83 -3.768 -6.969 -6.327 1.00 0.00 C ATOM 0 H LEU A 83 -2.442 -10.660 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.936 -8.382 -3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.883 -9.398 -5.974 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.368 -10.320 -6.100 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.612 -8.601 -7.535 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.378 -7.067 -6.808 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.675 -8.768 -6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.131 -7.618 -5.134 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.228 -6.151 -6.881 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.724 -6.712 -5.269 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.758 -7.137 -6.701 1.00 0.00 H new ATOM 963 N ILE A 84 -5.769 -11.126 -4.096 1.00 0.00 N ATOM 964 CA ILE A 84 -7.090 -11.666 -3.915 1.00 0.00 C ATOM 965 C ILE A 84 -7.397 -11.750 -2.421 1.00 0.00 C ATOM 966 O ILE A 84 -8.501 -11.410 -2.000 1.00 0.00 O ATOM 967 CB ILE A 84 -7.142 -13.037 -4.613 1.00 0.00 C ATOM 968 CG1 ILE A 84 -6.337 -13.147 -5.934 1.00 0.00 C ATOM 969 CG2 ILE A 84 -8.614 -13.418 -4.825 1.00 0.00 C ATOM 970 CD1 ILE A 84 -6.780 -12.226 -7.077 1.00 0.00 C ATOM 0 H ILE A 84 -5.104 -11.789 -4.495 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.854 -11.029 -4.361 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.641 -13.743 -3.951 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.289 -12.941 -5.715 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.392 -14.178 -6.284 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.671 -14.388 -5.319 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.118 -13.472 -3.860 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -9.099 -12.665 -5.446 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.144 -12.393 -7.946 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.816 -12.443 -7.338 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.696 -11.186 -6.760 1.00 0.00 H new ATOM 982 N THR A 85 -6.402 -12.145 -1.619 1.00 0.00 N ATOM 983 CA THR A 85 -6.519 -12.206 -0.178 1.00 0.00 C ATOM 984 C THR A 85 -6.920 -10.840 0.355 1.00 0.00 C ATOM 985 O THR A 85 -7.936 -10.724 1.035 1.00 0.00 O ATOM 986 CB THR A 85 -5.229 -12.724 0.482 1.00 0.00 C ATOM 987 OG1 THR A 85 -4.645 -13.755 -0.288 1.00 0.00 O ATOM 988 CG2 THR A 85 -5.538 -13.306 1.863 1.00 0.00 C ATOM 0 H THR A 85 -5.487 -12.432 -1.967 1.00 0.00 H new ATOM 0 HA THR A 85 -7.298 -12.924 0.079 1.00 0.00 H new ATOM 0 HB THR A 85 -4.544 -11.879 0.560 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.673 -13.743 -0.167 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.617 -13.669 2.319 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.975 -12.532 2.494 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.242 -14.132 1.761 1.00 0.00 H new ATOM 996 N LEU A 86 -6.140 -9.821 0.015 1.00 0.00 N ATOM 997 CA LEU A 86 -6.339 -8.440 0.428 1.00 0.00 C ATOM 998 C LEU A 86 -7.722 -7.943 0.051 1.00 0.00 C ATOM 999 O LEU A 86 -8.424 -7.441 0.922 1.00 0.00 O ATOM 1000 CB LEU A 86 -5.267 -7.560 -0.210 1.00 0.00 C ATOM 1001 CG LEU A 86 -5.167 -6.169 0.443 1.00 0.00 C ATOM 1002 CD1 LEU A 86 -4.191 -6.211 1.619 1.00 0.00 C ATOM 1003 CD2 LEU A 86 -4.697 -5.130 -0.575 1.00 0.00 C ATOM 0 H LEU A 86 -5.320 -9.940 -0.579 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.256 -8.389 1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.302 -8.061 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.485 -7.443 -1.272 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.156 -5.887 0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.127 -5.223 2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.544 -6.929 2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.205 -6.511 1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.633 -4.154 -0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.716 -5.412 -0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.407 -5.082 -1.401 1.00 0.00 H new ATOM 1015 N ALA A 87 -8.112 -8.093 -1.215 1.00 0.00 N ATOM 1016 CA ALA A 87 -9.403 -7.633 -1.713 1.00 0.00 C ATOM 1017 C ALA A 87 -10.534 -8.214 -0.864 1.00 0.00 C ATOM 1018 O ALA A 87 -11.328 -7.485 -0.267 1.00 0.00 O ATOM 1019 CB ALA A 87 -9.562 -8.032 -3.180 1.00 0.00 C ATOM 0 H ALA A 87 -7.535 -8.541 -1.927 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.450 -6.546 -1.642 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.528 -7.686 -3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.765 -7.578 -3.769 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.506 -9.117 -3.270 1.00 0.00 H new ATOM 1025 N GLU A 88 -10.566 -9.539 -0.766 1.00 0.00 N ATOM 1026 CA GLU A 88 -11.582 -10.254 -0.012 1.00 0.00 C ATOM 1027 C GLU A 88 -11.482 -9.967 1.493 1.00 0.00 C ATOM 1028 O GLU A 88 -12.447 -10.146 2.235 1.00 0.00 O ATOM 1029 CB GLU A 88 -11.457 -11.753 -0.294 1.00 0.00 C ATOM 1030 CG GLU A 88 -12.348 -12.251 -1.445 1.00 0.00 C ATOM 1031 CD GLU A 88 -11.982 -11.860 -2.890 1.00 0.00 C ATOM 1032 OE1 GLU A 88 -12.061 -10.670 -3.271 1.00 0.00 O ATOM 1033 OE2 GLU A 88 -11.868 -12.801 -3.715 1.00 0.00 O ATOM 0 H GLU A 88 -9.881 -10.149 -1.212 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.563 -9.905 -0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.417 -11.983 -0.528 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.709 -12.305 0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.375 -13.339 -1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -13.361 -11.898 -1.254 1.00 0.00 H new ATOM 1040 N SER A 89 -10.310 -9.599 2.001 1.00 0.00 N ATOM 1041 CA SER A 89 -10.148 -9.152 3.373 1.00 0.00 C ATOM 1042 C SER A 89 -10.801 -7.777 3.561 1.00 0.00 C ATOM 1043 O SER A 89 -11.527 -7.559 4.532 1.00 0.00 O ATOM 1044 CB SER A 89 -8.661 -9.165 3.744 1.00 0.00 C ATOM 1045 OG SER A 89 -8.488 -9.418 5.118 1.00 0.00 O ATOM 0 H SER A 89 -9.442 -9.604 1.465 1.00 0.00 H new ATOM 0 HA SER A 89 -10.657 -9.834 4.055 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.144 -9.928 3.162 1.00 0.00 H new ATOM 0 HB3 SER A 89 -8.210 -8.207 3.487 1.00 0.00 H new ATOM 0 HG SER A 89 -8.131 -8.617 5.556 1.00 0.00 H new ATOM 1051 N LEU A 90 -10.576 -6.853 2.630 1.00 0.00 N ATOM 1052 CA LEU A 90 -11.051 -5.480 2.692 1.00 0.00 C ATOM 1053 C LEU A 90 -12.564 -5.414 2.617 1.00 0.00 C ATOM 1054 O LEU A 90 -13.158 -4.566 3.280 1.00 0.00 O ATOM 1055 CB LEU A 90 -10.470 -4.665 1.532 1.00 0.00 C ATOM 1056 CG LEU A 90 -8.990 -4.320 1.724 1.00 0.00 C ATOM 1057 CD1 LEU A 90 -8.363 -4.016 0.370 1.00 0.00 C ATOM 1058 CD2 LEU A 90 -8.811 -3.149 2.698 1.00 0.00 C ATOM 0 H LEU A 90 -10.040 -7.050 1.785 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.723 -5.066 3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.589 -5.227 0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -11.041 -3.743 1.421 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.481 -5.177 2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.310 -3.770 0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.453 -4.889 -0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.877 -3.171 -0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.749 -2.930 2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.323 -2.270 2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.233 -3.414 3.667 1.00 0.00 H new ATOM 1070 N GLU A 91 -13.205 -6.250 1.804 1.00 0.00 N ATOM 1071 CA GLU A 91 -14.663 -6.303 1.774 1.00 0.00 C ATOM 1072 C GLU A 91 -15.240 -6.831 3.091 1.00 0.00 C ATOM 1073 O GLU A 91 -16.269 -6.310 3.522 1.00 0.00 O ATOM 1074 CB GLU A 91 -15.170 -7.025 0.519 1.00 0.00 C ATOM 1075 CG GLU A 91 -14.896 -8.531 0.513 1.00 0.00 C ATOM 1076 CD GLU A 91 -16.083 -9.346 1.012 1.00 0.00 C ATOM 1077 OE1 GLU A 91 -17.009 -9.593 0.201 1.00 0.00 O ATOM 1078 OE2 GLU A 91 -16.136 -9.717 2.200 1.00 0.00 O ATOM 0 H GLU A 91 -12.742 -6.894 1.163 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.044 -5.285 1.693 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -16.244 -6.861 0.427 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.703 -6.578 -0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -14.644 -8.846 -0.499 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.028 -8.741 1.138 1.00 0.00 H new ATOM 1085 N ARG A 92 -14.560 -7.746 3.802 1.00 0.00 N ATOM 1086 CA ARG A 92 -14.968 -8.108 5.162 1.00 0.00 C ATOM 1087 C ARG A 92 -14.806 -6.923 6.105 1.00 0.00 C ATOM 1088 O ARG A 92 -15.619 -6.767 7.016 1.00 0.00 O ATOM 1089 CB ARG A 92 -14.201 -9.328 5.698 1.00 0.00 C ATOM 1090 CG ARG A 92 -14.615 -10.633 5.009 1.00 0.00 C ATOM 1091 CD ARG A 92 -13.964 -11.840 5.699 1.00 0.00 C ATOM 1092 NE ARG A 92 -14.492 -13.104 5.168 1.00 0.00 N ATOM 1093 CZ ARG A 92 -14.033 -14.336 5.424 1.00 0.00 C ATOM 1094 NH1 ARG A 92 -12.911 -14.536 6.115 1.00 0.00 N ATOM 1095 NH2 ARG A 92 -14.725 -15.375 4.975 1.00 0.00 N ATOM 0 H ARG A 92 -13.736 -8.241 3.460 1.00 0.00 H new ATOM 0 HA ARG A 92 -16.021 -8.384 5.115 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.132 -9.171 5.558 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.372 -9.418 6.771 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -15.700 -10.735 5.034 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -14.321 -10.605 3.960 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.884 -11.805 5.556 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -14.145 -11.790 6.773 1.00 0.00 H new ATOM 0 HE ARG A 92 -15.292 -13.036 4.539 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.378 -13.739 6.464 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.585 -15.486 6.295 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.585 -15.225 4.448 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.397 -16.323 5.157 1.00 0.00 H new ATOM 1109 N GLN A 93 -13.815 -6.055 5.887 1.00 0.00 N ATOM 1110 CA GLN A 93 -13.686 -4.801 6.628 1.00 0.00 C ATOM 1111 C GLN A 93 -14.730 -3.768 6.167 1.00 0.00 C ATOM 1112 O GLN A 93 -14.859 -2.720 6.800 1.00 0.00 O ATOM 1113 CB GLN A 93 -12.279 -4.194 6.454 1.00 0.00 C ATOM 1114 CG GLN A 93 -11.096 -5.094 6.843 1.00 0.00 C ATOM 1115 CD GLN A 93 -10.813 -5.119 8.341 1.00 0.00 C ATOM 1116 OE1 GLN A 93 -11.700 -4.919 9.168 1.00 0.00 O ATOM 1117 NE2 GLN A 93 -9.569 -5.289 8.743 1.00 0.00 N ATOM 0 H GLN A 93 -13.082 -6.202 5.193 1.00 0.00 H new ATOM 0 HA GLN A 93 -13.853 -5.038 7.679 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -12.159 -3.903 5.410 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -12.224 -3.282 7.048 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -11.296 -6.110 6.503 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.203 -4.753 6.319 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.830 -5.455 8.059 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.345 -5.254 9.738 1.00 0.00 H new ATOM 1126 N GLY A 94 -15.448 -3.998 5.059 1.00 0.00 N ATOM 1127 CA GLY A 94 -16.307 -2.999 4.436 1.00 0.00 C ATOM 1128 C GLY A 94 -15.511 -1.801 3.914 1.00 0.00 C ATOM 1129 O GLY A 94 -16.087 -0.732 3.708 1.00 0.00 O ATOM 0 H GLY A 94 -15.444 -4.893 4.571 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -16.856 -3.456 3.612 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -17.046 -2.655 5.159 1.00 0.00 H new ATOM 1133 N GLN A 95 -14.198 -1.944 3.715 1.00 0.00 N ATOM 1134 CA GLN A 95 -13.323 -0.879 3.242 1.00 0.00 C ATOM 1135 C GLN A 95 -13.096 -0.951 1.731 1.00 0.00 C ATOM 1136 O GLN A 95 -12.665 0.050 1.167 1.00 0.00 O ATOM 1137 CB GLN A 95 -11.966 -0.956 3.962 1.00 0.00 C ATOM 1138 CG GLN A 95 -12.061 -0.603 5.455 1.00 0.00 C ATOM 1139 CD GLN A 95 -10.695 -0.633 6.145 1.00 0.00 C ATOM 1140 OE1 GLN A 95 -10.256 0.362 6.717 1.00 0.00 O ATOM 1141 NE2 GLN A 95 -9.992 -1.755 6.105 1.00 0.00 N ATOM 0 H GLN A 95 -13.708 -2.823 3.883 1.00 0.00 H new ATOM 0 HA GLN A 95 -13.815 0.068 3.465 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.561 -1.962 3.857 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.264 -0.278 3.477 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.500 0.389 5.565 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.732 -1.305 5.950 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -10.367 -2.575 5.627 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -9.076 -1.799 6.552 1.00 0.00 H new ATOM 1150 N LEU A 96 -13.341 -2.099 1.081 1.00 0.00 N ATOM 1151 CA LEU A 96 -12.942 -2.318 -0.309 1.00 0.00 C ATOM 1152 C LEU A 96 -13.549 -1.278 -1.244 1.00 0.00 C ATOM 1153 O LEU A 96 -12.848 -0.742 -2.093 1.00 0.00 O ATOM 1154 CB LEU A 96 -13.279 -3.733 -0.791 1.00 0.00 C ATOM 1155 CG LEU A 96 -12.756 -4.002 -2.219 1.00 0.00 C ATOM 1156 CD1 LEU A 96 -11.236 -3.825 -2.367 1.00 0.00 C ATOM 1157 CD2 LEU A 96 -13.103 -5.432 -2.605 1.00 0.00 C ATOM 0 H LEU A 96 -13.819 -2.894 1.505 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.858 -2.207 -0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -12.847 -4.461 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -14.359 -3.875 -0.769 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.232 -3.267 -2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.944 -4.031 -3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.962 -2.802 -2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.722 -4.517 -1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -12.739 -5.636 -3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.634 -6.122 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.185 -5.564 -2.576 1.00 0.00 H new ATOM 1169 N ASP A 97 -14.834 -0.965 -1.099 1.00 0.00 N ATOM 1170 CA ASP A 97 -15.441 0.102 -1.885 1.00 0.00 C ATOM 1171 C ASP A 97 -14.776 1.440 -1.575 1.00 0.00 C ATOM 1172 O ASP A 97 -14.355 2.148 -2.490 1.00 0.00 O ATOM 1173 CB ASP A 97 -16.946 0.189 -1.635 1.00 0.00 C ATOM 1174 CG ASP A 97 -17.518 1.358 -2.432 1.00 0.00 C ATOM 1175 OD1 ASP A 97 -17.287 1.424 -3.657 1.00 0.00 O ATOM 1176 OD2 ASP A 97 -18.187 2.238 -1.844 1.00 0.00 O ATOM 0 H ASP A 97 -15.469 -1.431 -0.451 1.00 0.00 H new ATOM 0 HA ASP A 97 -15.287 -0.133 -2.938 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -17.431 -0.741 -1.931 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -17.143 0.326 -0.572 1.00 0.00 H new ATOM 1181 N SER A 98 -14.639 1.775 -0.291 1.00 0.00 N ATOM 1182 CA SER A 98 -14.147 3.062 0.179 1.00 0.00 C ATOM 1183 C SER A 98 -12.768 3.416 -0.389 1.00 0.00 C ATOM 1184 O SER A 98 -12.483 4.595 -0.624 1.00 0.00 O ATOM 1185 CB SER A 98 -14.098 3.056 1.713 1.00 0.00 C ATOM 1186 OG SER A 98 -15.290 2.522 2.268 1.00 0.00 O ATOM 0 H SER A 98 -14.875 1.137 0.469 1.00 0.00 H new ATOM 0 HA SER A 98 -14.838 3.826 -0.177 1.00 0.00 H new ATOM 0 HB2 SER A 98 -13.244 2.468 2.049 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.949 4.072 2.078 1.00 0.00 H new ATOM 0 HG SER A 98 -15.228 2.530 3.246 1.00 0.00 H new ATOM 1192 N VAL A 99 -11.915 2.422 -0.635 1.00 0.00 N ATOM 1193 CA VAL A 99 -10.547 2.619 -1.107 1.00 0.00 C ATOM 1194 C VAL A 99 -10.440 2.766 -2.628 1.00 0.00 C ATOM 1195 O VAL A 99 -9.372 3.130 -3.113 1.00 0.00 O ATOM 1196 CB VAL A 99 -9.656 1.479 -0.596 1.00 0.00 C ATOM 1197 CG1 VAL A 99 -9.593 1.473 0.942 1.00 0.00 C ATOM 1198 CG2 VAL A 99 -10.068 0.087 -1.085 1.00 0.00 C ATOM 0 H VAL A 99 -12.161 1.440 -0.509 1.00 0.00 H new ATOM 0 HA VAL A 99 -10.200 3.568 -0.698 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.672 1.685 -1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.955 0.655 1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -9.183 2.420 1.293 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -10.596 1.340 1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -9.386 -0.659 -0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -11.083 -0.130 -0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -10.029 0.057 -2.174 1.00 0.00 H new ATOM 1208 N GLY A 100 -11.520 2.505 -3.370 1.00 0.00 N ATOM 1209 CA GLY A 100 -11.540 2.530 -4.832 1.00 0.00 C ATOM 1210 C GLY A 100 -11.906 1.187 -5.470 1.00 0.00 C ATOM 1211 O GLY A 100 -11.868 1.075 -6.696 1.00 0.00 O ATOM 0 H GLY A 100 -12.423 2.266 -2.961 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -12.253 3.285 -5.163 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.559 2.838 -5.194 1.00 0.00 H new ATOM 1215 N GLY A 101 -12.271 0.172 -4.686 1.00 0.00 N ATOM 1216 CA GLY A 101 -12.715 -1.126 -5.178 1.00 0.00 C ATOM 1217 C GLY A 101 -11.559 -2.012 -5.631 1.00 0.00 C ATOM 1218 O GLY A 101 -10.390 -1.614 -5.610 1.00 0.00 O ATOM 0 H GLY A 101 -12.265 0.234 -3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -13.272 -1.636 -4.392 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.402 -0.978 -6.011 1.00 0.00 H new ATOM 1222 N PHE A 102 -11.889 -3.237 -6.056 1.00 0.00 N ATOM 1223 CA PHE A 102 -10.915 -4.218 -6.531 1.00 0.00 C ATOM 1224 C PHE A 102 -10.083 -3.644 -7.682 1.00 0.00 C ATOM 1225 O PHE A 102 -8.889 -3.925 -7.762 1.00 0.00 O ATOM 1226 CB PHE A 102 -11.644 -5.508 -6.950 1.00 0.00 C ATOM 1227 CG PHE A 102 -10.777 -6.745 -7.138 1.00 0.00 C ATOM 1228 CD1 PHE A 102 -9.815 -6.808 -8.163 1.00 0.00 C ATOM 1229 CD2 PHE A 102 -10.934 -7.851 -6.279 1.00 0.00 C ATOM 1230 CE1 PHE A 102 -8.948 -7.909 -8.252 1.00 0.00 C ATOM 1231 CE2 PHE A 102 -10.083 -8.966 -6.383 1.00 0.00 C ATOM 1232 CZ PHE A 102 -9.065 -8.980 -7.351 1.00 0.00 C ATOM 0 H PHE A 102 -12.851 -3.576 -6.079 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.225 -4.459 -5.723 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.401 -5.732 -6.198 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -12.171 -5.315 -7.885 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -9.743 -6.007 -8.884 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -11.715 -7.842 -5.534 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.187 -7.932 -9.018 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -10.212 -9.809 -5.720 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.376 -9.810 -7.402 1.00 0.00 H new ATOM 1242 N ALA A 103 -10.680 -2.825 -8.556 1.00 0.00 N ATOM 1243 CA ALA A 103 -9.974 -2.241 -9.689 1.00 0.00 C ATOM 1244 C ALA A 103 -8.735 -1.459 -9.248 1.00 0.00 C ATOM 1245 O ALA A 103 -7.701 -1.581 -9.898 1.00 0.00 O ATOM 1246 CB ALA A 103 -10.914 -1.357 -10.504 1.00 0.00 C ATOM 0 H ALA A 103 -11.661 -2.553 -8.493 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.629 -3.060 -10.320 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.371 -0.928 -11.346 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.746 -1.956 -10.875 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -11.297 -0.555 -9.873 1.00 0.00 H new ATOM 1252 N TYR A 104 -8.795 -0.721 -8.135 1.00 0.00 N ATOM 1253 CA TYR A 104 -7.649 0.026 -7.625 1.00 0.00 C ATOM 1254 C TYR A 104 -6.521 -0.924 -7.201 1.00 0.00 C ATOM 1255 O TYR A 104 -5.342 -0.623 -7.384 1.00 0.00 O ATOM 1256 CB TYR A 104 -8.109 0.911 -6.454 1.00 0.00 C ATOM 1257 CG TYR A 104 -7.154 2.032 -6.073 1.00 0.00 C ATOM 1258 CD1 TYR A 104 -5.972 1.760 -5.354 1.00 0.00 C ATOM 1259 CD2 TYR A 104 -7.466 3.362 -6.417 1.00 0.00 C ATOM 1260 CE1 TYR A 104 -5.107 2.806 -4.992 1.00 0.00 C ATOM 1261 CE2 TYR A 104 -6.615 4.415 -6.036 1.00 0.00 C ATOM 1262 CZ TYR A 104 -5.428 4.138 -5.327 1.00 0.00 C ATOM 1263 OH TYR A 104 -4.587 5.140 -4.955 1.00 0.00 O ATOM 0 H TYR A 104 -9.637 -0.627 -7.567 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.249 0.663 -8.414 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -9.074 1.349 -6.708 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.266 0.277 -5.581 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -5.731 0.743 -5.080 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.365 3.574 -6.977 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -4.195 2.590 -4.456 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -6.870 5.434 -6.286 1.00 0.00 H new ATOM 0 HH TYR A 104 -4.947 5.999 -5.260 1.00 0.00 H new ATOM 1273 N LEU A 105 -6.856 -2.093 -6.650 1.00 0.00 N ATOM 1274 CA LEU A 105 -5.865 -3.103 -6.290 1.00 0.00 C ATOM 1275 C LEU A 105 -5.252 -3.692 -7.552 1.00 0.00 C ATOM 1276 O LEU A 105 -4.030 -3.790 -7.656 1.00 0.00 O ATOM 1277 CB LEU A 105 -6.486 -4.218 -5.435 1.00 0.00 C ATOM 1278 CG LEU A 105 -7.112 -3.719 -4.126 1.00 0.00 C ATOM 1279 CD1 LEU A 105 -7.753 -4.902 -3.401 1.00 0.00 C ATOM 1280 CD2 LEU A 105 -6.070 -3.039 -3.234 1.00 0.00 C ATOM 0 H LEU A 105 -7.818 -2.363 -6.443 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.088 -2.622 -5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.250 -4.729 -6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.717 -4.955 -5.202 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.873 -2.974 -4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -8.201 -4.558 -2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -8.524 -5.342 -4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.992 -5.651 -3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.546 -2.697 -2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.280 -3.749 -2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.642 -2.186 -3.760 1.00 0.00 H new ATOM 1292 N ALA A 106 -6.089 -4.076 -8.518 1.00 0.00 N ATOM 1293 CA ALA A 106 -5.615 -4.626 -9.776 1.00 0.00 C ATOM 1294 C ALA A 106 -4.728 -3.606 -10.510 1.00 0.00 C ATOM 1295 O ALA A 106 -3.763 -3.979 -11.174 1.00 0.00 O ATOM 1296 CB ALA A 106 -6.806 -5.050 -10.639 1.00 0.00 C ATOM 0 H ALA A 106 -7.104 -4.013 -8.446 1.00 0.00 H new ATOM 0 HA ALA A 106 -5.007 -5.508 -9.574 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.444 -5.462 -11.581 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.387 -5.807 -10.111 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.436 -4.184 -10.840 1.00 0.00 H new ATOM 1302 N GLU A 107 -5.033 -2.316 -10.373 1.00 0.00 N ATOM 1303 CA GLU A 107 -4.248 -1.212 -10.896 1.00 0.00 C ATOM 1304 C GLU A 107 -2.871 -1.178 -10.242 1.00 0.00 C ATOM 1305 O GLU A 107 -1.870 -1.206 -10.953 1.00 0.00 O ATOM 1306 CB GLU A 107 -5.027 0.094 -10.733 1.00 0.00 C ATOM 1307 CG GLU A 107 -4.283 1.303 -11.307 1.00 0.00 C ATOM 1308 CD GLU A 107 -5.287 2.304 -11.864 1.00 0.00 C ATOM 1309 OE1 GLU A 107 -5.682 2.122 -13.041 1.00 0.00 O ATOM 1310 OE2 GLU A 107 -5.704 3.228 -11.125 1.00 0.00 O ATOM 0 H GLU A 107 -5.867 -2.006 -9.875 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.073 -1.350 -11.963 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -5.994 -0.001 -11.228 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -5.226 0.264 -9.675 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -3.678 1.773 -10.531 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -3.600 0.982 -12.093 1.00 0.00 H new ATOM 1317 N LEU A 108 -2.804 -1.188 -8.909 1.00 0.00 N ATOM 1318 CA LEU A 108 -1.539 -1.234 -8.177 1.00 0.00 C ATOM 1319 C LEU A 108 -0.692 -2.424 -8.621 1.00 0.00 C ATOM 1320 O LEU A 108 0.494 -2.256 -8.884 1.00 0.00 O ATOM 1321 CB LEU A 108 -1.798 -1.318 -6.670 1.00 0.00 C ATOM 1322 CG LEU A 108 -2.290 -0.009 -6.039 1.00 0.00 C ATOM 1323 CD1 LEU A 108 -2.808 -0.297 -4.631 1.00 0.00 C ATOM 1324 CD2 LEU A 108 -1.171 1.026 -5.940 1.00 0.00 C ATOM 0 H LEU A 108 -3.627 -1.164 -8.307 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.992 -0.317 -8.397 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.537 -2.098 -6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.878 -1.624 -6.172 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.079 0.393 -6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.159 0.629 -4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.631 -1.010 -4.685 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.004 -0.716 -4.026 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.559 1.939 -5.488 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.363 0.631 -5.324 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -0.791 1.248 -6.937 1.00 0.00 H new ATOM 1336 N SER A 109 -1.298 -3.603 -8.769 1.00 0.00 N ATOM 1337 CA SER A 109 -0.627 -4.815 -9.238 1.00 0.00 C ATOM 1338 C SER A 109 0.033 -4.614 -10.617 1.00 0.00 C ATOM 1339 O SER A 109 0.964 -5.342 -10.972 1.00 0.00 O ATOM 1340 CB SER A 109 -1.658 -5.958 -9.237 1.00 0.00 C ATOM 1341 OG SER A 109 -1.186 -7.164 -9.813 1.00 0.00 O ATOM 0 H SER A 109 -2.287 -3.744 -8.562 1.00 0.00 H new ATOM 0 HA SER A 109 0.194 -5.069 -8.567 1.00 0.00 H new ATOM 0 HB2 SER A 109 -1.966 -6.155 -8.210 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.546 -5.632 -9.779 1.00 0.00 H new ATOM 0 HG SER A 109 -1.892 -7.843 -9.776 1.00 0.00 H new ATOM 1347 N LYS A 110 -0.440 -3.652 -11.417 1.00 0.00 N ATOM 1348 CA LYS A 110 0.080 -3.331 -12.744 1.00 0.00 C ATOM 1349 C LYS A 110 1.049 -2.146 -12.718 1.00 0.00 C ATOM 1350 O LYS A 110 1.609 -1.833 -13.768 1.00 0.00 O ATOM 1351 CB LYS A 110 -1.092 -3.053 -13.713 1.00 0.00 C ATOM 1352 CG LYS A 110 -1.522 -4.247 -14.582 1.00 0.00 C ATOM 1353 CD LYS A 110 -2.631 -5.152 -14.019 1.00 0.00 C ATOM 1354 CE LYS A 110 -2.256 -5.994 -12.794 1.00 0.00 C ATOM 1355 NZ LYS A 110 -1.182 -6.964 -13.070 1.00 0.00 N ATOM 0 H LYS A 110 -1.223 -3.057 -11.146 1.00 0.00 H new ATOM 0 HA LYS A 110 0.646 -4.194 -13.095 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.952 -2.719 -13.132 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.812 -2.229 -14.369 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.854 -3.863 -15.546 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.643 -4.864 -14.770 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.485 -4.527 -13.757 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.960 -5.825 -14.811 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.942 -5.332 -11.987 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -3.139 -6.528 -12.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.006 -7.538 -12.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.467 -7.584 -13.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.313 -6.455 -13.329 1.00 0.00 H new ATOM 1369 N ASN A 111 1.281 -1.495 -11.575 1.00 0.00 N ATOM 1370 CA ASN A 111 2.025 -0.233 -11.509 1.00 0.00 C ATOM 1371 C ASN A 111 3.421 -0.427 -10.914 1.00 0.00 C ATOM 1372 O ASN A 111 4.053 0.532 -10.450 1.00 0.00 O ATOM 1373 CB ASN A 111 1.188 0.863 -10.809 1.00 0.00 C ATOM 1374 CG ASN A 111 -0.038 1.295 -11.618 1.00 0.00 C ATOM 1375 OD1 ASN A 111 -0.253 0.888 -12.757 1.00 0.00 O ATOM 1376 ND2 ASN A 111 -0.893 2.142 -11.068 1.00 0.00 N ATOM 0 H ASN A 111 0.958 -1.829 -10.667 1.00 0.00 H new ATOM 0 HA ASN A 111 2.198 0.122 -12.525 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.862 0.496 -9.836 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.820 1.732 -10.627 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.715 2.447 -11.589 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.730 2.490 -10.123 1.00 0.00 H new ATOM 1383 N THR A 112 3.937 -1.654 -10.974 1.00 0.00 N ATOM 1384 CA THR A 112 5.268 -2.008 -10.488 1.00 0.00 C ATOM 1385 C THR A 112 5.948 -2.983 -11.456 1.00 0.00 C ATOM 1386 O THR A 112 5.367 -4.035 -11.742 1.00 0.00 O ATOM 1387 CB THR A 112 5.198 -2.649 -9.095 1.00 0.00 C ATOM 1388 OG1 THR A 112 4.231 -2.033 -8.280 1.00 0.00 O ATOM 1389 CG2 THR A 112 6.564 -2.536 -8.423 1.00 0.00 C ATOM 0 H THR A 112 3.430 -2.445 -11.370 1.00 0.00 H new ATOM 0 HA THR A 112 5.850 -1.089 -10.424 1.00 0.00 H new ATOM 0 HB THR A 112 4.914 -3.694 -9.221 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.578 -1.949 -7.367 1.00 0.00 H new ATOM 0 HG21 THR A 112 6.521 -2.990 -7.433 1.00 0.00 H new ATOM 0 HG22 THR A 112 7.310 -3.053 -9.027 1.00 0.00 H new ATOM 0 HG23 THR A 112 6.837 -1.485 -8.329 1.00 0.00 H new ATOM 1397 N PRO A 113 7.176 -2.699 -11.931 1.00 0.00 N ATOM 1398 CA PRO A 113 7.915 -3.575 -12.833 1.00 0.00 C ATOM 1399 C PRO A 113 8.551 -4.759 -12.073 1.00 0.00 C ATOM 1400 O PRO A 113 9.780 -4.898 -12.046 1.00 0.00 O ATOM 1401 CB PRO A 113 8.947 -2.646 -13.488 1.00 0.00 C ATOM 1402 CG PRO A 113 9.279 -1.657 -12.373 1.00 0.00 C ATOM 1403 CD PRO A 113 7.925 -1.469 -11.698 1.00 0.00 C ATOM 0 HA PRO A 113 7.284 -4.055 -13.581 1.00 0.00 H new ATOM 0 HB2 PRO A 113 9.830 -3.193 -13.818 1.00 0.00 H new ATOM 0 HB3 PRO A 113 8.538 -2.143 -14.364 1.00 0.00 H new ATOM 0 HG2 PRO A 113 10.026 -2.054 -11.685 1.00 0.00 H new ATOM 0 HG3 PRO A 113 9.673 -0.719 -12.764 1.00 0.00 H new ATOM 0 HD2 PRO A 113 8.045 -1.283 -10.631 1.00 0.00 H new ATOM 0 HD3 PRO A 113 7.400 -0.609 -12.114 1.00 0.00 H new ATOM 1411 N SER A 114 7.734 -5.631 -11.473 1.00 0.00 N ATOM 1412 CA SER A 114 8.168 -6.669 -10.530 1.00 0.00 C ATOM 1413 C SER A 114 8.853 -6.028 -9.308 1.00 0.00 C ATOM 1414 O SER A 114 8.865 -4.805 -9.160 1.00 0.00 O ATOM 1415 CB SER A 114 9.044 -7.718 -11.236 1.00 0.00 C ATOM 1416 OG SER A 114 8.449 -8.159 -12.444 1.00 0.00 O ATOM 0 H SER A 114 6.727 -5.635 -11.633 1.00 0.00 H new ATOM 0 HA SER A 114 7.296 -7.205 -10.156 1.00 0.00 H new ATOM 0 HB2 SER A 114 10.026 -7.293 -11.446 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.200 -8.569 -10.573 1.00 0.00 H new ATOM 0 HG SER A 114 9.029 -8.824 -12.871 1.00 0.00 H new ATOM 1422 N ALA A 115 9.445 -6.818 -8.411 1.00 0.00 N ATOM 1423 CA ALA A 115 10.229 -6.341 -7.269 1.00 0.00 C ATOM 1424 C ALA A 115 11.530 -5.610 -7.673 1.00 0.00 C ATOM 1425 O ALA A 115 12.405 -5.408 -6.821 1.00 0.00 O ATOM 1426 CB ALA A 115 10.528 -7.530 -6.344 1.00 0.00 C ATOM 0 H ALA A 115 9.391 -7.835 -8.460 1.00 0.00 H new ATOM 0 HA ALA A 115 9.632 -5.594 -6.746 1.00 0.00 H new ATOM 0 HB1 ALA A 115 11.112 -7.188 -5.489 1.00 0.00 H new ATOM 0 HB2 ALA A 115 9.591 -7.963 -5.994 1.00 0.00 H new ATOM 0 HB3 ALA A 115 11.094 -8.284 -6.892 1.00 0.00 H new ATOM 1432 N ALA A 116 11.710 -5.254 -8.952 1.00 0.00 N ATOM 1433 CA ALA A 116 12.844 -4.492 -9.445 1.00 0.00 C ATOM 1434 C ALA A 116 12.902 -3.174 -8.680 1.00 0.00 C ATOM 1435 O ALA A 116 11.995 -2.348 -8.790 1.00 0.00 O ATOM 1436 CB ALA A 116 12.725 -4.239 -10.951 1.00 0.00 C ATOM 0 H ALA A 116 11.046 -5.500 -9.686 1.00 0.00 H new ATOM 0 HA ALA A 116 13.762 -5.057 -9.286 1.00 0.00 H new ATOM 0 HB1 ALA A 116 13.587 -3.667 -11.293 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.690 -5.192 -11.478 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.813 -3.678 -11.155 1.00 0.00 H new ATOM 1442 N ASN A 117 13.960 -2.999 -7.894 1.00 0.00 N ATOM 1443 CA ASN A 117 14.240 -1.817 -7.090 1.00 0.00 C ATOM 1444 C ASN A 117 13.063 -1.384 -6.209 1.00 0.00 C ATOM 1445 O ASN A 117 12.926 -0.194 -5.929 1.00 0.00 O ATOM 1446 CB ASN A 117 14.782 -0.685 -7.984 1.00 0.00 C ATOM 1447 CG ASN A 117 16.138 -1.046 -8.551 1.00 0.00 C ATOM 1448 OD1 ASN A 117 17.104 -1.211 -7.807 1.00 0.00 O ATOM 1449 ND2 ASN A 117 16.258 -1.203 -9.856 1.00 0.00 N ATOM 0 H ASN A 117 14.680 -3.714 -7.797 1.00 0.00 H new ATOM 0 HA ASN A 117 15.020 -2.081 -6.376 1.00 0.00 H new ATOM 0 HB2 ASN A 117 14.083 -0.493 -8.798 1.00 0.00 H new ATOM 0 HB3 ASN A 117 14.859 0.236 -7.405 1.00 0.00 H new ATOM 0 HD21 ASN A 117 17.159 -1.464 -10.258 1.00 0.00 H new ATOM 0 HD22 ASN A 117 15.450 -1.064 -10.463 1.00 0.00 H new ATOM 1456 N ILE A 118 12.247 -2.318 -5.697 1.00 0.00 N ATOM 1457 CA ILE A 118 11.201 -2.007 -4.709 1.00 0.00 C ATOM 1458 C ILE A 118 11.789 -1.231 -3.536 1.00 0.00 C ATOM 1459 O ILE A 118 11.215 -0.262 -3.047 1.00 0.00 O ATOM 1460 CB ILE A 118 10.477 -3.293 -4.266 1.00 0.00 C ATOM 1461 CG1 ILE A 118 9.062 -2.911 -3.775 1.00 0.00 C ATOM 1462 CG2 ILE A 118 11.248 -4.169 -3.263 1.00 0.00 C ATOM 1463 CD1 ILE A 118 8.216 -4.089 -3.289 1.00 0.00 C ATOM 0 H ILE A 118 12.292 -3.304 -5.954 1.00 0.00 H new ATOM 0 HA ILE A 118 10.451 -1.365 -5.171 1.00 0.00 H new ATOM 0 HB ILE A 118 10.406 -3.946 -5.136 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.156 -2.189 -2.964 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.533 -2.411 -4.586 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.653 -5.048 -3.015 1.00 0.00 H new ATOM 0 HG22 ILE A 118 12.193 -4.483 -3.706 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.445 -3.597 -2.356 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.241 -3.727 -2.964 1.00 0.00 H new ATOM 0 HD12 ILE A 118 8.086 -4.803 -4.102 1.00 0.00 H new ATOM 0 HD13 ILE A 118 8.718 -4.578 -2.454 1.00 0.00 H new ATOM 1475 N SER A 119 12.994 -1.632 -3.155 1.00 0.00 N ATOM 1476 CA SER A 119 13.785 -1.000 -2.115 1.00 0.00 C ATOM 1477 C SER A 119 14.087 0.474 -2.416 1.00 0.00 C ATOM 1478 O SER A 119 14.163 1.285 -1.493 1.00 0.00 O ATOM 1479 CB SER A 119 15.080 -1.795 -1.919 1.00 0.00 C ATOM 1480 OG SER A 119 14.825 -3.190 -1.859 1.00 0.00 O ATOM 0 H SER A 119 13.461 -2.434 -3.578 1.00 0.00 H new ATOM 0 HA SER A 119 13.202 -1.007 -1.194 1.00 0.00 H new ATOM 0 HB2 SER A 119 15.767 -1.584 -2.739 1.00 0.00 H new ATOM 0 HB3 SER A 119 15.571 -1.473 -1.001 1.00 0.00 H new ATOM 0 HG SER A 119 15.669 -3.672 -1.735 1.00 0.00 H new ATOM 1486 N ALA A 120 14.274 0.834 -3.688 1.00 0.00 N ATOM 1487 CA ALA A 120 14.465 2.214 -4.124 1.00 0.00 C ATOM 1488 C ALA A 120 13.141 2.970 -4.120 1.00 0.00 C ATOM 1489 O ALA A 120 13.109 4.121 -3.703 1.00 0.00 O ATOM 1490 CB ALA A 120 15.096 2.283 -5.518 1.00 0.00 C ATOM 0 H ALA A 120 14.297 0.161 -4.455 1.00 0.00 H new ATOM 0 HA ALA A 120 15.148 2.684 -3.416 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.223 3.326 -5.809 1.00 0.00 H new ATOM 0 HB2 ALA A 120 16.068 1.790 -5.502 1.00 0.00 H new ATOM 0 HB3 ALA A 120 14.447 1.782 -6.236 1.00 0.00 H new ATOM 1496 N TYR A 121 12.032 2.337 -4.520 1.00 0.00 N ATOM 1497 CA TYR A 121 10.737 2.992 -4.466 1.00 0.00 C ATOM 1498 C TYR A 121 10.403 3.293 -2.995 1.00 0.00 C ATOM 1499 O TYR A 121 9.992 4.410 -2.690 1.00 0.00 O ATOM 1500 CB TYR A 121 9.665 2.113 -5.128 1.00 0.00 C ATOM 1501 CG TYR A 121 9.685 1.996 -6.645 1.00 0.00 C ATOM 1502 CD1 TYR A 121 9.122 3.015 -7.433 1.00 0.00 C ATOM 1503 CD2 TYR A 121 10.140 0.824 -7.275 1.00 0.00 C ATOM 1504 CE1 TYR A 121 8.982 2.855 -8.826 1.00 0.00 C ATOM 1505 CE2 TYR A 121 10.029 0.660 -8.666 1.00 0.00 C ATOM 1506 CZ TYR A 121 9.434 1.671 -9.449 1.00 0.00 C ATOM 1507 OH TYR A 121 9.320 1.496 -10.793 1.00 0.00 O ATOM 0 H TYR A 121 12.013 1.383 -4.880 1.00 0.00 H new ATOM 0 HA TYR A 121 10.763 3.931 -5.020 1.00 0.00 H new ATOM 0 HB2 TYR A 121 9.751 1.109 -4.713 1.00 0.00 H new ATOM 0 HB3 TYR A 121 8.688 2.497 -4.834 1.00 0.00 H new ATOM 0 HD1 TYR A 121 8.793 3.931 -6.965 1.00 0.00 H new ATOM 0 HD2 TYR A 121 10.582 0.038 -6.680 1.00 0.00 H new ATOM 0 HE1 TYR A 121 8.529 3.637 -9.417 1.00 0.00 H new ATOM 0 HE2 TYR A 121 10.399 -0.240 -9.135 1.00 0.00 H new ATOM 0 HH TYR A 121 9.888 0.749 -11.075 1.00 0.00 H new ATOM 1517 N ALA A 122 10.653 2.355 -2.070 1.00 0.00 N ATOM 1518 CA ALA A 122 10.473 2.565 -0.634 1.00 0.00 C ATOM 1519 C ALA A 122 11.370 3.682 -0.091 1.00 0.00 C ATOM 1520 O ALA A 122 10.939 4.428 0.786 1.00 0.00 O ATOM 1521 CB ALA A 122 10.730 1.253 0.117 1.00 0.00 C ATOM 0 H ALA A 122 10.989 1.421 -2.305 1.00 0.00 H new ATOM 0 HA ALA A 122 9.443 2.883 -0.472 1.00 0.00 H new ATOM 0 HB1 ALA A 122 10.595 1.414 1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 122 10.028 0.493 -0.227 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.750 0.918 -0.074 1.00 0.00 H new ATOM 1527 N ASP A 123 12.587 3.824 -0.616 1.00 0.00 N ATOM 1528 CA ASP A 123 13.520 4.890 -0.241 1.00 0.00 C ATOM 1529 C ASP A 123 12.922 6.265 -0.531 1.00 0.00 C ATOM 1530 O ASP A 123 13.085 7.199 0.253 1.00 0.00 O ATOM 1531 CB ASP A 123 14.826 4.722 -1.023 1.00 0.00 C ATOM 1532 CG ASP A 123 16.004 5.547 -0.513 1.00 0.00 C ATOM 1533 OD1 ASP A 123 15.945 6.168 0.570 1.00 0.00 O ATOM 1534 OD2 ASP A 123 17.043 5.547 -1.218 1.00 0.00 O ATOM 0 H ASP A 123 12.959 3.192 -1.325 1.00 0.00 H new ATOM 0 HA ASP A 123 13.716 4.819 0.829 1.00 0.00 H new ATOM 0 HB2 ASP A 123 15.107 3.669 -1.006 1.00 0.00 H new ATOM 0 HB3 ASP A 123 14.643 4.986 -2.064 1.00 0.00 H new ATOM 1539 N ILE A 124 12.204 6.399 -1.652 1.00 0.00 N ATOM 1540 CA ILE A 124 11.439 7.612 -1.948 1.00 0.00 C ATOM 1541 C ILE A 124 10.400 7.812 -0.844 1.00 0.00 C ATOM 1542 O ILE A 124 10.365 8.887 -0.251 1.00 0.00 O ATOM 1543 CB ILE A 124 10.783 7.607 -3.353 1.00 0.00 C ATOM 1544 CG1 ILE A 124 11.821 7.322 -4.458 1.00 0.00 C ATOM 1545 CG2 ILE A 124 10.091 8.963 -3.621 1.00 0.00 C ATOM 1546 CD1 ILE A 124 11.222 7.164 -5.856 1.00 0.00 C ATOM 0 H ILE A 124 12.138 5.678 -2.371 1.00 0.00 H new ATOM 0 HA ILE A 124 12.134 8.452 -1.970 1.00 0.00 H new ATOM 0 HB ILE A 124 10.040 6.810 -3.372 1.00 0.00 H new ATOM 0 HG12 ILE A 124 12.548 8.134 -4.476 1.00 0.00 H new ATOM 0 HG13 ILE A 124 12.365 6.413 -4.203 1.00 0.00 H new ATOM 0 HG21 ILE A 124 9.634 8.949 -4.610 1.00 0.00 H new ATOM 0 HG22 ILE A 124 9.322 9.134 -2.868 1.00 0.00 H new ATOM 0 HG23 ILE A 124 10.829 9.764 -3.574 1.00 0.00 H new ATOM 0 HD11 ILE A 124 12.019 6.966 -6.573 1.00 0.00 H new ATOM 0 HD12 ILE A 124 10.517 6.333 -5.858 1.00 0.00 H new ATOM 0 HD13 ILE A 124 10.702 8.081 -6.135 1.00 0.00 H new ATOM 1558 N VAL A 125 9.554 6.812 -0.572 1.00 0.00 N ATOM 1559 CA VAL A 125 8.450 6.944 0.378 1.00 0.00 C ATOM 1560 C VAL A 125 8.963 7.380 1.756 1.00 0.00 C ATOM 1561 O VAL A 125 8.393 8.307 2.340 1.00 0.00 O ATOM 1562 CB VAL A 125 7.622 5.645 0.447 1.00 0.00 C ATOM 1563 CG1 VAL A 125 6.404 5.811 1.371 1.00 0.00 C ATOM 1564 CG2 VAL A 125 7.113 5.210 -0.935 1.00 0.00 C ATOM 0 H VAL A 125 9.617 5.891 -1.005 1.00 0.00 H new ATOM 0 HA VAL A 125 7.782 7.728 0.023 1.00 0.00 H new ATOM 0 HB VAL A 125 8.293 4.882 0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.839 4.879 1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 125 6.742 6.062 2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.766 6.610 0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 125 6.535 4.291 -0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 125 6.481 5.993 -1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 125 7.961 5.037 -1.597 1.00 0.00 H new ATOM 1574 N ARG A 126 10.038 6.760 2.262 1.00 0.00 N ATOM 1575 CA ARG A 126 10.670 7.163 3.520 1.00 0.00 C ATOM 1576 C ARG A 126 11.101 8.625 3.434 1.00 0.00 C ATOM 1577 O ARG A 126 10.717 9.427 4.277 1.00 0.00 O ATOM 1578 CB ARG A 126 11.866 6.246 3.844 1.00 0.00 C ATOM 1579 CG ARG A 126 12.485 6.514 5.234 1.00 0.00 C ATOM 1580 CD ARG A 126 11.822 5.739 6.391 1.00 0.00 C ATOM 1581 NE ARG A 126 12.717 4.680 6.900 1.00 0.00 N ATOM 1582 CZ ARG A 126 12.394 3.654 7.699 1.00 0.00 C ATOM 1583 NH1 ARG A 126 11.184 3.532 8.237 1.00 0.00 N ATOM 1584 NH2 ARG A 126 13.308 2.729 7.969 1.00 0.00 N ATOM 0 H ARG A 126 10.491 5.966 1.809 1.00 0.00 H new ATOM 0 HA ARG A 126 9.949 7.062 4.331 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.542 5.207 3.793 1.00 0.00 H new ATOM 0 HB3 ARG A 126 12.633 6.378 3.081 1.00 0.00 H new ATOM 0 HG2 ARG A 126 13.544 6.257 5.202 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.422 7.581 5.446 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.572 6.427 7.198 1.00 0.00 H new ATOM 0 HD3 ARG A 126 10.887 5.296 6.048 1.00 0.00 H new ATOM 0 HE ARG A 126 13.693 4.736 6.610 1.00 0.00 H new ATOM 0 HH11 ARG A 126 10.468 4.233 8.046 1.00 0.00 H new ATOM 0 HH12 ARG A 126 10.972 2.738 8.841 1.00 0.00 H new ATOM 0 HH21 ARG A 126 14.243 2.805 7.570 1.00 0.00 H new ATOM 0 HH22 ARG A 126 13.074 1.943 8.576 1.00 0.00 H new ATOM 1598 N GLU A 127 11.897 9.004 2.435 1.00 0.00 N ATOM 1599 CA GLU A 127 12.462 10.352 2.349 1.00 0.00 C ATOM 1600 C GLU A 127 11.371 11.418 2.196 1.00 0.00 C ATOM 1601 O GLU A 127 11.505 12.560 2.637 1.00 0.00 O ATOM 1602 CB GLU A 127 13.423 10.403 1.160 1.00 0.00 C ATOM 1603 CG GLU A 127 14.617 11.333 1.398 1.00 0.00 C ATOM 1604 CD GLU A 127 15.566 11.316 0.197 1.00 0.00 C ATOM 1605 OE1 GLU A 127 16.264 10.299 -0.007 1.00 0.00 O ATOM 1606 OE2 GLU A 127 15.584 12.277 -0.609 1.00 0.00 O ATOM 0 H GLU A 127 12.168 8.390 1.666 1.00 0.00 H new ATOM 0 HA GLU A 127 12.993 10.569 3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 127 13.788 9.397 0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 127 12.881 10.736 0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 127 14.263 12.349 1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 127 15.153 11.023 2.295 1.00 0.00 H new ATOM 1613 N ARG A 128 10.270 11.063 1.539 1.00 0.00 N ATOM 1614 CA ARG A 128 9.107 11.935 1.387 1.00 0.00 C ATOM 1615 C ARG A 128 8.310 12.015 2.687 1.00 0.00 C ATOM 1616 O ARG A 128 7.858 13.116 3.004 1.00 0.00 O ATOM 1617 CB ARG A 128 8.286 11.506 0.158 1.00 0.00 C ATOM 1618 CG ARG A 128 8.772 12.115 -1.184 1.00 0.00 C ATOM 1619 CD ARG A 128 10.268 12.032 -1.535 1.00 0.00 C ATOM 1620 NE ARG A 128 11.075 12.979 -0.744 1.00 0.00 N ATOM 1621 CZ ARG A 128 12.391 13.175 -0.822 1.00 0.00 C ATOM 1622 NH1 ARG A 128 13.126 12.579 -1.750 1.00 0.00 N ATOM 1623 NH2 ARG A 128 12.985 13.993 0.036 1.00 0.00 N ATOM 0 H ARG A 128 10.158 10.153 1.092 1.00 0.00 H new ATOM 0 HA ARG A 128 9.430 12.958 1.192 1.00 0.00 H new ATOM 0 HB2 ARG A 128 8.313 10.419 0.080 1.00 0.00 H new ATOM 0 HB3 ARG A 128 7.245 11.789 0.315 1.00 0.00 H new ATOM 0 HG2 ARG A 128 8.217 11.630 -1.987 1.00 0.00 H new ATOM 0 HG3 ARG A 128 8.489 13.168 -1.191 1.00 0.00 H new ATOM 0 HD2 ARG A 128 10.625 11.017 -1.360 1.00 0.00 H new ATOM 0 HD3 ARG A 128 10.403 12.239 -2.597 1.00 0.00 H new ATOM 0 HE ARG A 128 10.571 13.546 -0.062 1.00 0.00 H new ATOM 0 HH11 ARG A 128 12.686 11.954 -2.425 1.00 0.00 H new ATOM 0 HH12 ARG A 128 14.132 12.745 -1.789 1.00 0.00 H new ATOM 0 HH21 ARG A 128 12.435 14.469 0.751 1.00 0.00 H new ATOM 0 HH22 ARG A 128 13.992 14.147 -0.019 1.00 0.00 H new ATOM 1637 N ALA A 129 8.221 10.944 3.481 1.00 0.00 N ATOM 1638 CA ALA A 129 7.680 11.017 4.835 1.00 0.00 C ATOM 1639 C ALA A 129 8.555 11.941 5.688 1.00 0.00 C ATOM 1640 O ALA A 129 8.040 12.788 6.408 1.00 0.00 O ATOM 1641 CB ALA A 129 7.591 9.624 5.469 1.00 0.00 C ATOM 0 H ALA A 129 8.521 10.009 3.203 1.00 0.00 H new ATOM 0 HA ALA A 129 6.670 11.423 4.786 1.00 0.00 H new ATOM 0 HB1 ALA A 129 7.185 9.708 6.477 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.939 8.991 4.867 1.00 0.00 H new ATOM 0 HB3 ALA A 129 8.586 9.181 5.515 1.00 0.00 H new ATOM 1647 N VAL A 130 9.878 11.831 5.567 1.00 0.00 N ATOM 1648 CA VAL A 130 10.840 12.670 6.272 1.00 0.00 C ATOM 1649 C VAL A 130 10.668 14.147 5.882 1.00 0.00 C ATOM 1650 O VAL A 130 10.670 15.020 6.750 1.00 0.00 O ATOM 1651 CB VAL A 130 12.253 12.091 6.048 1.00 0.00 C ATOM 1652 CG1 VAL A 130 13.376 13.027 6.499 1.00 0.00 C ATOM 1653 CG2 VAL A 130 12.401 10.762 6.806 1.00 0.00 C ATOM 0 H VAL A 130 10.318 11.139 4.961 1.00 0.00 H new ATOM 0 HA VAL A 130 10.665 12.657 7.348 1.00 0.00 H new ATOM 0 HB VAL A 130 12.351 11.950 4.972 1.00 0.00 H new ATOM 0 HG11 VAL A 130 14.340 12.555 6.312 1.00 0.00 H new ATOM 0 HG12 VAL A 130 13.316 13.962 5.943 1.00 0.00 H new ATOM 0 HG13 VAL A 130 13.273 13.232 7.565 1.00 0.00 H new ATOM 0 HG21 VAL A 130 13.401 10.360 6.643 1.00 0.00 H new ATOM 0 HG22 VAL A 130 12.247 10.932 7.872 1.00 0.00 H new ATOM 0 HG23 VAL A 130 11.660 10.051 6.442 1.00 0.00 H new ATOM 1663 N VAL A 131 10.433 14.458 4.606 1.00 0.00 N ATOM 1664 CA VAL A 131 10.107 15.829 4.203 1.00 0.00 C ATOM 1665 C VAL A 131 8.778 16.252 4.838 1.00 0.00 C ATOM 1666 O VAL A 131 8.639 17.390 5.278 1.00 0.00 O ATOM 1667 CB VAL A 131 10.114 15.963 2.666 1.00 0.00 C ATOM 1668 CG1 VAL A 131 9.467 17.259 2.149 1.00 0.00 C ATOM 1669 CG2 VAL A 131 11.567 15.954 2.177 1.00 0.00 C ATOM 0 H VAL A 131 10.462 13.786 3.839 1.00 0.00 H new ATOM 0 HA VAL A 131 10.872 16.513 4.570 1.00 0.00 H new ATOM 0 HB VAL A 131 9.530 15.125 2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 131 9.511 17.278 1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 131 8.426 17.300 2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 131 10.004 18.119 2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 131 11.586 16.048 1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 131 12.106 16.790 2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 131 12.043 15.018 2.468 1.00 0.00 H new ATOM 1679 N ARG A 132 7.787 15.365 4.871 1.00 0.00 N ATOM 1680 CA ARG A 132 6.480 15.647 5.439 1.00 0.00 C ATOM 1681 C ARG A 132 6.485 15.875 6.947 1.00 0.00 C ATOM 1682 O ARG A 132 5.684 16.678 7.435 1.00 0.00 O ATOM 1683 CB ARG A 132 5.533 14.534 4.994 1.00 0.00 C ATOM 1684 CG ARG A 132 4.085 14.781 5.423 1.00 0.00 C ATOM 1685 CD ARG A 132 3.662 13.896 6.604 1.00 0.00 C ATOM 1686 NE ARG A 132 3.782 12.464 6.287 1.00 0.00 N ATOM 1687 CZ ARG A 132 3.400 11.442 7.053 1.00 0.00 C ATOM 1688 NH1 ARG A 132 2.840 11.675 8.232 1.00 0.00 N ATOM 1689 NH2 ARG A 132 3.568 10.194 6.628 1.00 0.00 N ATOM 0 H ARG A 132 7.874 14.420 4.498 1.00 0.00 H new ATOM 0 HA ARG A 132 6.129 16.606 5.059 1.00 0.00 H new ATOM 0 HB2 ARG A 132 5.575 14.440 3.909 1.00 0.00 H new ATOM 0 HB3 ARG A 132 5.874 13.586 5.409 1.00 0.00 H new ATOM 0 HG2 ARG A 132 3.965 15.829 5.697 1.00 0.00 H new ATOM 0 HG3 ARG A 132 3.422 14.594 4.578 1.00 0.00 H new ATOM 0 HD2 ARG A 132 4.279 14.129 7.472 1.00 0.00 H new ATOM 0 HD3 ARG A 132 2.631 14.122 6.876 1.00 0.00 H new ATOM 0 HE ARG A 132 4.201 12.229 5.387 1.00 0.00 H new ATOM 0 HH11 ARG A 132 2.702 12.634 8.551 1.00 0.00 H new ATOM 0 HH12 ARG A 132 2.547 10.895 8.820 1.00 0.00 H new ATOM 0 HH21 ARG A 132 3.989 10.018 5.716 1.00 0.00 H new ATOM 0 HH22 ARG A 132 3.276 9.412 7.214 1.00 0.00 H new ATOM 1703 N GLU A 133 7.339 15.187 7.690 1.00 0.00 N ATOM 1704 CA GLU A 133 7.420 15.363 9.137 1.00 0.00 C ATOM 1705 C GLU A 133 8.139 16.674 9.459 1.00 0.00 C ATOM 1706 O GLU A 133 7.737 17.375 10.383 1.00 0.00 O ATOM 1707 CB GLU A 133 8.019 14.126 9.838 1.00 0.00 C ATOM 1708 CG GLU A 133 9.549 13.997 9.801 1.00 0.00 C ATOM 1709 CD GLU A 133 10.092 12.691 10.398 1.00 0.00 C ATOM 1710 OE1 GLU A 133 9.368 11.673 10.466 1.00 0.00 O ATOM 1711 OE2 GLU A 133 11.272 12.672 10.834 1.00 0.00 O ATOM 0 H GLU A 133 7.990 14.497 7.315 1.00 0.00 H new ATOM 0 HA GLU A 133 6.413 15.445 9.546 1.00 0.00 H new ATOM 0 HB2 GLU A 133 7.702 14.137 10.881 1.00 0.00 H new ATOM 0 HB3 GLU A 133 7.589 13.233 9.383 1.00 0.00 H new ATOM 0 HG2 GLU A 133 9.883 14.075 8.766 1.00 0.00 H new ATOM 0 HG3 GLU A 133 9.985 14.838 10.341 1.00 0.00 H new ATOM 1718 N MET A 134 9.160 17.047 8.681 1.00 0.00 N ATOM 1719 CA MET A 134 9.983 18.223 8.977 1.00 0.00 C ATOM 1720 C MET A 134 9.321 19.569 8.647 1.00 0.00 C ATOM 1721 O MET A 134 9.979 20.604 8.786 1.00 0.00 O ATOM 1722 CB MET A 134 11.369 18.099 8.318 1.00 0.00 C ATOM 1723 CG MET A 134 11.347 18.341 6.805 1.00 0.00 C ATOM 1724 SD MET A 134 12.958 18.401 5.983 1.00 0.00 S ATOM 1725 CE MET A 134 13.475 16.678 6.173 1.00 0.00 C ATOM 0 H MET A 134 9.437 16.547 7.836 1.00 0.00 H new ATOM 0 HA MET A 134 10.102 18.231 10.061 1.00 0.00 H new ATOM 0 HB2 MET A 134 12.049 18.813 8.783 1.00 0.00 H new ATOM 0 HB3 MET A 134 11.768 17.104 8.514 1.00 0.00 H new ATOM 0 HG2 MET A 134 10.754 17.553 6.340 1.00 0.00 H new ATOM 0 HG3 MET A 134 10.830 19.282 6.616 1.00 0.00 H new ATOM 0 HE1 MET A 134 14.464 16.544 5.734 1.00 0.00 H new ATOM 0 HE2 MET A 134 13.511 16.424 7.232 1.00 0.00 H new ATOM 0 HE3 MET A 134 12.762 16.026 5.668 1.00 0.00 H new ATOM 1735 N ILE A 135 8.066 19.590 8.184 1.00 0.00 N ATOM 1736 CA ILE A 135 7.372 20.815 7.774 1.00 0.00 C ATOM 1737 C ILE A 135 7.183 21.782 8.961 1.00 0.00 C ATOM 1738 O ILE A 135 6.920 22.964 8.723 1.00 0.00 O ATOM 1739 CB ILE A 135 6.021 20.475 7.085 1.00 0.00 C ATOM 1740 CG1 ILE A 135 6.142 19.468 5.919 1.00 0.00 C ATOM 1741 CG2 ILE A 135 5.272 21.719 6.565 1.00 0.00 C ATOM 1742 CD1 ILE A 135 6.835 19.982 4.654 1.00 0.00 C ATOM 0 H ILE A 135 7.498 18.749 8.083 1.00 0.00 H new ATOM 0 HA ILE A 135 7.997 21.330 7.044 1.00 0.00 H new ATOM 0 HB ILE A 135 5.448 20.012 7.889 1.00 0.00 H new ATOM 0 HG12 ILE A 135 6.685 18.593 6.276 1.00 0.00 H new ATOM 0 HG13 ILE A 135 5.140 19.133 5.649 1.00 0.00 H new ATOM 0 HG21 ILE A 135 4.338 21.411 6.095 1.00 0.00 H new ATOM 0 HG22 ILE A 135 5.056 22.388 7.398 1.00 0.00 H new ATOM 0 HG23 ILE A 135 5.892 22.238 5.834 1.00 0.00 H new ATOM 0 HD11 ILE A 135 6.861 19.190 3.906 1.00 0.00 H new ATOM 0 HD12 ILE A 135 6.284 20.836 4.259 1.00 0.00 H new ATOM 0 HD13 ILE A 135 7.853 20.287 4.895 1.00 0.00 H new ATOM 1754 N SER A 136 7.299 21.327 10.210 1.00 0.00 N ATOM 1755 CA SER A 136 7.198 22.136 11.414 1.00 0.00 C ATOM 1756 C SER A 136 8.450 22.997 11.587 1.00 0.00 C ATOM 1757 O SER A 136 8.475 24.130 11.056 1.00 0.00 O ATOM 1758 CB SER A 136 6.906 21.200 12.597 1.00 0.00 C ATOM 1759 OG SER A 136 7.609 19.970 12.488 1.00 0.00 O ATOM 1760 OXT SER A 136 9.399 22.600 12.299 1.00 0.00 O ATOM 0 H SER A 136 7.473 20.343 10.413 1.00 0.00 H new ATOM 0 HA SER A 136 6.374 22.847 11.349 1.00 0.00 H new ATOM 0 HB2 SER A 136 7.183 21.695 13.528 1.00 0.00 H new ATOM 0 HB3 SER A 136 5.835 21.002 12.647 1.00 0.00 H new ATOM 0 HG SER A 136 7.398 19.403 13.259 1.00 0.00 H new TER 1766 SER A 136