USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 492 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 49 ASN : amide:sc= 0.353 K(o=-0.76,f=0.019) USER MOD Set 1.2: A 56 GLN : amide:sc= -1.11 K(o=-0.76,f=0.019) USER MOD Set 2.1: A 38 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 61 SER OG : rot -102:sc= 0.0894 USER MOD Set 3.1: A 19 GLN : amide:sc= -1.12 K(o=-3.4,f=-0.21) USER MOD Set 3.2: A 20 GLN : amide:sc= -2.23 K(o=-3.4,f=0) USER MOD Single : A 14 TYR OH : rot 30:sc= -0.998 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -39:sc= 0.603 USER MOD Single : A 23 GLN : amide:sc= -3.83! K(o=-3.8!,f=-1) USER MOD Single : A 26 MET CE :methyl -170:sc= -0.178 (180deg=-0.37) USER MOD Single : A 30 MET CE :methyl -135:sc= -0.686 (180deg=-1.5!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -6.4! C(o=-6.4!,f=-3.3!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot -158:sc= 0.279 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0146 USER MOD Single : A 66 TYR OH : rot 30:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -2.96! K(o=-3!,f=-1.9) USER MOD Single : A 71 HIS : no HD1:sc= -0.0604 X(o=-0.06,f=-0.0023) USER MOD Single : A 72 MET CE :methyl -168:sc= -1.44 (180deg=-1.79) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 14 -12.338 4.740 -4.608 1.00 0.00 N ATOM 2 CA TYR A 14 -11.192 5.205 -3.782 1.00 0.00 C ATOM 3 C TYR A 14 -9.839 4.624 -4.234 1.00 0.00 C ATOM 4 O TYR A 14 -8.820 5.317 -4.196 1.00 0.00 O ATOM 5 CB TYR A 14 -11.451 4.855 -2.288 1.00 0.00 C ATOM 6 CG TYR A 14 -10.341 5.313 -1.313 1.00 0.00 C ATOM 7 CD1 TYR A 14 -10.122 6.673 -1.064 1.00 0.00 C ATOM 8 CD2 TYR A 14 -9.506 4.390 -0.661 1.00 0.00 C ATOM 9 CE1 TYR A 14 -9.127 7.093 -0.203 1.00 0.00 C ATOM 10 CE2 TYR A 14 -8.510 4.808 0.200 1.00 0.00 C ATOM 11 CZ TYR A 14 -8.324 6.164 0.421 1.00 0.00 C ATOM 12 OH TYR A 14 -7.333 6.595 1.272 1.00 0.00 O ATOM 0 HA TYR A 14 -11.123 6.285 -3.913 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.394 5.308 -1.981 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -11.572 3.775 -2.198 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -10.743 7.408 -1.555 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.646 3.334 -0.836 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.979 8.147 -0.020 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.881 4.084 0.697 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.605 7.439 1.690 1.00 0.00 H new ATOM 22 N GLY A 15 -9.855 3.360 -4.681 1.00 0.00 N ATOM 23 CA GLY A 15 -8.639 2.685 -5.115 1.00 0.00 C ATOM 24 C GLY A 15 -8.113 3.190 -6.443 1.00 0.00 C ATOM 25 O GLY A 15 -6.922 3.472 -6.606 1.00 0.00 O ATOM 0 H GLY A 15 -10.699 2.791 -4.749 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.869 2.814 -4.354 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.834 1.615 -5.193 1.00 0.00 H new ATOM 29 N GLU A 16 -9.020 3.348 -7.381 1.00 0.00 N ATOM 30 CA GLU A 16 -8.701 3.796 -8.735 1.00 0.00 C ATOM 31 C GLU A 16 -8.302 5.296 -8.709 1.00 0.00 C ATOM 32 O GLU A 16 -7.523 5.765 -9.554 1.00 0.00 O ATOM 33 CB GLU A 16 -9.910 3.480 -9.656 1.00 0.00 C ATOM 34 CG GLU A 16 -10.145 1.958 -9.927 1.00 0.00 C ATOM 35 CD GLU A 16 -10.352 1.078 -8.661 1.00 0.00 C ATOM 36 OE1 GLU A 16 -11.318 1.338 -7.898 1.00 0.00 O ATOM 37 OE2 GLU A 16 -9.522 0.169 -8.387 1.00 0.00 O ATOM 0 H GLU A 16 -10.013 3.169 -7.232 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.840 3.265 -9.142 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.811 3.898 -9.207 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.765 3.987 -10.610 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.019 1.852 -10.569 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.292 1.570 -10.483 1.00 0.00 H new ATOM 44 N TYR A 17 -8.825 6.010 -7.688 1.00 0.00 N ATOM 45 CA TYR A 17 -8.488 7.409 -7.394 1.00 0.00 C ATOM 46 C TYR A 17 -7.048 7.543 -6.828 1.00 0.00 C ATOM 47 O TYR A 17 -6.272 8.380 -7.312 1.00 0.00 O ATOM 48 CB TYR A 17 -9.530 7.981 -6.388 1.00 0.00 C ATOM 49 CG TYR A 17 -9.116 9.308 -5.734 1.00 0.00 C ATOM 50 CD1 TYR A 17 -9.115 10.505 -6.455 1.00 0.00 C ATOM 51 CD2 TYR A 17 -8.683 9.345 -4.406 1.00 0.00 C ATOM 52 CE1 TYR A 17 -8.689 11.683 -5.875 1.00 0.00 C ATOM 53 CE2 TYR A 17 -8.266 10.516 -3.826 1.00 0.00 C ATOM 54 CZ TYR A 17 -8.271 11.684 -4.560 1.00 0.00 C ATOM 55 OH TYR A 17 -7.833 12.854 -3.977 1.00 0.00 O ATOM 0 H TYR A 17 -9.505 5.618 -7.037 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.521 7.980 -8.322 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -10.477 8.126 -6.907 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -9.705 7.243 -5.605 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.452 10.509 -7.481 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.677 8.434 -3.825 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.683 12.599 -6.447 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.935 10.524 -2.798 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.576 12.680 -3.047 1.00 0.00 H new ATOM 65 N VAL A 18 -6.699 6.713 -5.805 1.00 0.00 N ATOM 66 CA VAL A 18 -5.360 6.757 -5.160 1.00 0.00 C ATOM 67 C VAL A 18 -4.264 6.405 -6.176 1.00 0.00 C ATOM 68 O VAL A 18 -3.181 6.991 -6.144 1.00 0.00 O ATOM 69 CB VAL A 18 -5.232 5.895 -3.831 1.00 0.00 C ATOM 70 CG1 VAL A 18 -6.149 6.443 -2.713 1.00 0.00 C ATOM 71 CG2 VAL A 18 -5.503 4.411 -4.073 1.00 0.00 C ATOM 0 H VAL A 18 -7.325 6.010 -5.413 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.224 7.786 -4.827 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.197 5.986 -3.501 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.037 5.831 -1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.871 7.472 -2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.186 6.413 -3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.403 3.865 -3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.514 4.284 -4.461 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.786 4.023 -4.796 1.00 0.00 H new ATOM 81 N GLN A 19 -4.597 5.494 -7.120 1.00 0.00 N ATOM 82 CA GLN A 19 -3.697 5.067 -8.225 1.00 0.00 C ATOM 83 C GLN A 19 -3.165 6.301 -9.002 1.00 0.00 C ATOM 84 O GLN A 19 -2.008 6.317 -9.433 1.00 0.00 O ATOM 85 CB GLN A 19 -4.486 4.078 -9.163 1.00 0.00 C ATOM 86 CG GLN A 19 -3.650 3.183 -10.128 1.00 0.00 C ATOM 87 CD GLN A 19 -3.157 3.856 -11.414 1.00 0.00 C ATOM 88 OE1 GLN A 19 -2.059 4.397 -11.475 1.00 0.00 O ATOM 89 NE2 GLN A 19 -3.973 3.822 -12.453 1.00 0.00 N ATOM 0 H GLN A 19 -5.505 5.029 -7.139 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.827 4.549 -7.822 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.087 3.423 -8.532 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.179 4.666 -9.765 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.784 2.807 -9.584 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.253 2.318 -10.403 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.881 3.365 -12.373 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.695 4.253 -13.334 1.00 0.00 H new ATOM 98 N GLN A 20 -4.005 7.354 -9.101 1.00 0.00 N ATOM 99 CA GLN A 20 -3.639 8.621 -9.766 1.00 0.00 C ATOM 100 C GLN A 20 -2.800 9.509 -8.819 1.00 0.00 C ATOM 101 O GLN A 20 -1.693 9.934 -9.161 1.00 0.00 O ATOM 102 CB GLN A 20 -4.907 9.411 -10.211 1.00 0.00 C ATOM 103 CG GLN A 20 -5.978 8.606 -10.964 1.00 0.00 C ATOM 104 CD GLN A 20 -5.429 7.708 -12.074 1.00 0.00 C ATOM 105 OE1 GLN A 20 -5.212 8.153 -13.202 1.00 0.00 O ATOM 106 NE2 GLN A 20 -5.259 6.426 -11.774 1.00 0.00 N ATOM 0 H GLN A 20 -4.952 7.349 -8.723 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.051 8.368 -10.648 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.367 9.848 -9.325 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.590 10.238 -10.846 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.521 7.988 -10.249 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.699 9.300 -11.397 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.449 6.094 -10.828 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.938 5.773 -12.489 1.00 0.00 H new ATOM 115 N THR A 21 -3.346 9.750 -7.608 1.00 0.00 N ATOM 116 CA THR A 21 -2.840 10.782 -6.668 1.00 0.00 C ATOM 117 C THR A 21 -1.774 10.220 -5.687 1.00 0.00 C ATOM 118 O THR A 21 -1.470 10.847 -4.665 1.00 0.00 O ATOM 119 CB THR A 21 -4.049 11.437 -5.896 1.00 0.00 C ATOM 120 OG1 THR A 21 -3.616 12.554 -5.095 1.00 0.00 O ATOM 121 CG2 THR A 21 -4.784 10.431 -5.003 1.00 0.00 C ATOM 0 H THR A 21 -4.151 9.236 -7.251 1.00 0.00 H new ATOM 0 HA THR A 21 -2.335 11.551 -7.253 1.00 0.00 H new ATOM 0 HB THR A 21 -4.742 11.787 -6.661 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.751 12.346 -4.685 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.608 10.931 -4.493 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.176 9.619 -5.616 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.092 10.027 -4.264 1.00 0.00 H new ATOM 129 N LEU A 22 -1.196 9.049 -6.013 1.00 0.00 N ATOM 130 CA LEU A 22 -0.064 8.471 -5.248 1.00 0.00 C ATOM 131 C LEU A 22 1.248 9.225 -5.600 1.00 0.00 C ATOM 132 O LEU A 22 1.394 9.750 -6.711 1.00 0.00 O ATOM 133 CB LEU A 22 0.080 6.919 -5.513 1.00 0.00 C ATOM 134 CG LEU A 22 -0.062 5.973 -4.266 1.00 0.00 C ATOM 135 CD1 LEU A 22 0.880 6.376 -3.123 1.00 0.00 C ATOM 136 CD2 LEU A 22 -1.512 5.884 -3.771 1.00 0.00 C ATOM 0 H LEU A 22 -1.493 8.478 -6.805 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.266 8.596 -4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.671 6.628 -6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.055 6.740 -5.966 1.00 0.00 H new ATOM 0 HG LEU A 22 0.235 4.980 -4.603 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.746 5.694 -2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.913 6.328 -3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.651 7.393 -2.804 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.562 5.220 -2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.860 6.876 -3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.145 5.493 -4.567 1.00 0.00 H new ATOM 148 N GLN A 23 2.179 9.294 -4.624 1.00 0.00 N ATOM 149 CA GLN A 23 3.515 9.914 -4.788 1.00 0.00 C ATOM 150 C GLN A 23 4.611 8.846 -4.581 1.00 0.00 C ATOM 151 O GLN A 23 4.478 8.003 -3.688 1.00 0.00 O ATOM 152 CB GLN A 23 3.742 11.110 -3.795 1.00 0.00 C ATOM 153 CG GLN A 23 2.990 12.430 -4.144 1.00 0.00 C ATOM 154 CD GLN A 23 1.609 12.624 -3.489 1.00 0.00 C ATOM 155 OE1 GLN A 23 1.195 13.752 -3.226 1.00 0.00 O ATOM 156 NE2 GLN A 23 0.879 11.558 -3.234 1.00 0.00 N ATOM 0 H GLN A 23 2.024 8.917 -3.689 1.00 0.00 H new ATOM 0 HA GLN A 23 3.570 10.316 -5.800 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.438 10.793 -2.798 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.810 11.323 -3.750 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.624 13.270 -3.860 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.865 12.476 -5.226 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.237 10.629 -3.458 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.044 11.661 -2.812 1.00 0.00 H new ATOM 165 N PRO A 24 5.713 8.869 -5.400 1.00 0.00 N ATOM 166 CA PRO A 24 6.828 7.893 -5.296 1.00 0.00 C ATOM 167 C PRO A 24 7.730 8.116 -4.051 1.00 0.00 C ATOM 168 O PRO A 24 8.809 8.712 -4.148 1.00 0.00 O ATOM 169 CB PRO A 24 7.584 8.085 -6.640 1.00 0.00 C ATOM 170 CG PRO A 24 7.333 9.520 -7.005 1.00 0.00 C ATOM 171 CD PRO A 24 5.931 9.829 -6.523 1.00 0.00 C ATOM 0 HA PRO A 24 6.478 6.871 -5.148 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.649 7.883 -6.529 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.209 7.408 -7.408 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.063 10.177 -6.532 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.419 9.671 -8.081 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.843 10.862 -6.187 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.197 9.688 -7.316 1.00 0.00 H new ATOM 179 N GLY A 25 7.253 7.656 -2.873 1.00 0.00 N ATOM 180 CA GLY A 25 8.048 7.667 -1.631 1.00 0.00 C ATOM 181 C GLY A 25 7.300 8.313 -0.479 1.00 0.00 C ATOM 182 O GLY A 25 7.914 8.874 0.437 1.00 0.00 O ATOM 0 H GLY A 25 6.315 7.271 -2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.313 6.645 -1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.981 8.204 -1.803 1.00 0.00 H new ATOM 186 N MET A 26 5.959 8.228 -0.529 1.00 0.00 N ATOM 187 CA MET A 26 5.071 8.863 0.463 1.00 0.00 C ATOM 188 C MET A 26 4.602 7.851 1.521 1.00 0.00 C ATOM 189 O MET A 26 4.747 6.641 1.358 1.00 0.00 O ATOM 190 CB MET A 26 3.838 9.483 -0.239 1.00 0.00 C ATOM 191 CG MET A 26 2.929 8.466 -0.941 1.00 0.00 C ATOM 192 SD MET A 26 1.444 9.212 -1.629 1.00 0.00 S ATOM 193 CE MET A 26 0.554 9.660 -0.156 1.00 0.00 C ATOM 0 H MET A 26 5.460 7.718 -1.257 1.00 0.00 H new ATOM 0 HA MET A 26 5.640 9.647 0.962 1.00 0.00 H new ATOM 0 HB2 MET A 26 3.250 10.028 0.500 1.00 0.00 H new ATOM 0 HB3 MET A 26 4.182 10.212 -0.973 1.00 0.00 H new ATOM 0 HG2 MET A 26 3.488 7.978 -1.740 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.644 7.690 -0.231 1.00 0.00 H new ATOM 0 HE1 MET A 26 -0.457 9.968 -0.421 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.507 8.803 0.516 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.066 10.484 0.342 1.00 0.00 H new ATOM 203 N ARG A 27 3.955 8.387 2.555 1.00 0.00 N ATOM 204 CA ARG A 27 3.400 7.619 3.674 1.00 0.00 C ATOM 205 C ARG A 27 2.036 7.081 3.252 1.00 0.00 C ATOM 206 O ARG A 27 1.151 7.851 2.840 1.00 0.00 O ATOM 207 CB ARG A 27 3.272 8.522 4.941 1.00 0.00 C ATOM 208 CG ARG A 27 2.364 7.974 6.081 1.00 0.00 C ATOM 209 CD ARG A 27 2.874 6.663 6.710 1.00 0.00 C ATOM 210 NE ARG A 27 4.165 6.841 7.405 1.00 0.00 N ATOM 211 CZ ARG A 27 5.085 5.881 7.596 1.00 0.00 C ATOM 212 NH1 ARG A 27 4.944 4.676 7.061 1.00 0.00 N ATOM 213 NH2 ARG A 27 6.170 6.151 8.293 1.00 0.00 N ATOM 0 H ARG A 27 3.797 9.391 2.642 1.00 0.00 H new ATOM 0 HA ARG A 27 4.061 6.790 3.926 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.270 8.688 5.347 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.887 9.494 4.633 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.280 8.731 6.861 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.361 7.810 5.686 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.132 6.288 7.416 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.984 5.908 5.932 1.00 0.00 H new ATOM 0 HE ARG A 27 4.375 7.770 7.770 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.125 4.463 6.492 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.655 3.962 7.219 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.307 7.083 8.683 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.873 5.428 8.443 1.00 0.00 H new ATOM 227 N VAL A 28 1.878 5.759 3.347 1.00 0.00 N ATOM 228 CA VAL A 28 0.604 5.090 3.108 1.00 0.00 C ATOM 229 C VAL A 28 0.146 4.416 4.416 1.00 0.00 C ATOM 230 O VAL A 28 0.905 4.313 5.389 1.00 0.00 O ATOM 231 CB VAL A 28 0.675 4.028 1.927 1.00 0.00 C ATOM 232 CG1 VAL A 28 1.342 4.628 0.656 1.00 0.00 C ATOM 233 CG2 VAL A 28 1.363 2.708 2.365 1.00 0.00 C ATOM 0 H VAL A 28 2.636 5.122 3.593 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.119 5.843 2.794 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.353 3.776 1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.373 3.873 -0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.764 5.486 0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.357 4.946 0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.388 2.014 1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.381 2.919 2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.804 2.262 3.187 1.00 0.00 H new ATOM 243 N ARG A 29 -1.083 3.943 4.394 1.00 0.00 N ATOM 244 CA ARG A 29 -1.771 3.343 5.534 1.00 0.00 C ATOM 245 C ARG A 29 -2.533 2.114 5.013 1.00 0.00 C ATOM 246 O ARG A 29 -2.860 2.041 3.824 1.00 0.00 O ATOM 247 CB ARG A 29 -2.738 4.390 6.169 1.00 0.00 C ATOM 248 CG ARG A 29 -3.523 3.886 7.394 1.00 0.00 C ATOM 249 CD ARG A 29 -2.629 3.643 8.616 1.00 0.00 C ATOM 250 NE ARG A 29 -2.072 4.896 9.164 1.00 0.00 N ATOM 251 CZ ARG A 29 -2.653 5.655 10.103 1.00 0.00 C ATOM 252 NH1 ARG A 29 -3.876 5.380 10.547 1.00 0.00 N ATOM 253 NH2 ARG A 29 -2.017 6.710 10.580 1.00 0.00 N ATOM 0 H ARG A 29 -1.658 3.964 3.552 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.070 3.036 6.310 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.160 5.267 6.461 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.448 4.715 5.409 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.292 4.614 7.652 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.036 2.960 7.135 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.206 3.136 9.390 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.812 2.976 8.339 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.173 5.209 8.798 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.387 4.581 10.172 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.303 5.968 11.262 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.087 6.945 10.233 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.456 7.290 11.295 1.00 0.00 H new ATOM 267 N MET A 30 -2.769 1.136 5.890 1.00 0.00 N ATOM 268 CA MET A 30 -3.505 -0.080 5.542 1.00 0.00 C ATOM 269 C MET A 30 -4.964 0.088 5.976 1.00 0.00 C ATOM 270 O MET A 30 -5.239 0.386 7.140 1.00 0.00 O ATOM 271 CB MET A 30 -2.856 -1.330 6.193 1.00 0.00 C ATOM 272 CG MET A 30 -3.312 -2.633 5.546 1.00 0.00 C ATOM 273 SD MET A 30 -2.971 -2.655 3.769 1.00 0.00 S ATOM 274 CE MET A 30 -3.912 -4.074 3.223 1.00 0.00 C ATOM 0 H MET A 30 -2.455 1.165 6.860 1.00 0.00 H new ATOM 0 HA MET A 30 -3.469 -0.235 4.464 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.771 -1.252 6.118 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.102 -1.351 7.255 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.807 -3.472 6.024 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.381 -2.767 5.713 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.305 -4.675 2.546 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.196 -4.676 4.086 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.809 -3.738 2.704 1.00 0.00 H new ATOM 284 N LEU A 31 -5.887 -0.084 5.027 1.00 0.00 N ATOM 285 CA LEU A 31 -7.324 0.182 5.232 1.00 0.00 C ATOM 286 C LEU A 31 -8.091 -1.118 5.593 1.00 0.00 C ATOM 287 O LEU A 31 -9.255 -1.067 6.015 1.00 0.00 O ATOM 288 CB LEU A 31 -7.891 0.860 3.947 1.00 0.00 C ATOM 289 CG LEU A 31 -9.334 1.449 4.028 1.00 0.00 C ATOM 290 CD1 LEU A 31 -9.457 2.493 5.164 1.00 0.00 C ATOM 291 CD2 LEU A 31 -9.760 2.048 2.666 1.00 0.00 C ATOM 0 H LEU A 31 -5.664 -0.413 4.088 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.458 0.857 6.077 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.213 1.665 3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.870 0.126 3.141 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.015 0.631 4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.475 2.882 5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.223 2.021 6.118 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.760 3.311 4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.769 2.453 2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.071 2.845 2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.741 1.269 1.904 1.00 0.00 H new ATOM 303 N ASP A 32 -7.416 -2.280 5.469 1.00 0.00 N ATOM 304 CA ASP A 32 -8.021 -3.602 5.736 1.00 0.00 C ATOM 305 C ASP A 32 -6.925 -4.579 6.207 1.00 0.00 C ATOM 306 O ASP A 32 -5.756 -4.372 5.911 1.00 0.00 O ATOM 307 CB ASP A 32 -8.717 -4.137 4.452 1.00 0.00 C ATOM 308 CG ASP A 32 -9.670 -5.317 4.716 1.00 0.00 C ATOM 309 OD1 ASP A 32 -9.227 -6.480 4.714 1.00 0.00 O ATOM 310 OD2 ASP A 32 -10.882 -5.077 4.926 1.00 0.00 O ATOM 0 H ASP A 32 -6.439 -2.328 5.182 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.773 -3.509 6.519 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.277 -3.326 3.987 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.955 -4.449 3.738 1.00 0.00 H new ATOM 315 N ASP A 33 -7.302 -5.642 6.928 1.00 0.00 N ATOM 316 CA ASP A 33 -6.336 -6.641 7.440 1.00 0.00 C ATOM 317 C ASP A 33 -5.838 -7.515 6.276 1.00 0.00 C ATOM 318 O ASP A 33 -6.603 -7.833 5.367 1.00 0.00 O ATOM 319 CB ASP A 33 -6.972 -7.504 8.569 1.00 0.00 C ATOM 320 CG ASP A 33 -8.162 -8.359 8.100 1.00 0.00 C ATOM 321 OD1 ASP A 33 -9.267 -7.808 7.918 1.00 0.00 O ATOM 322 OD2 ASP A 33 -8.000 -9.586 7.920 1.00 0.00 O ATOM 0 H ASP A 33 -8.272 -5.839 7.175 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.483 -6.122 7.877 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.208 -8.159 8.987 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.303 -6.847 9.373 1.00 0.00 H new ATOM 327 N TYR A 34 -4.548 -7.875 6.296 1.00 0.00 N ATOM 328 CA TYR A 34 -3.913 -8.660 5.212 1.00 0.00 C ATOM 329 C TYR A 34 -3.095 -9.825 5.800 1.00 0.00 C ATOM 330 O TYR A 34 -2.944 -9.932 7.018 1.00 0.00 O ATOM 331 CB TYR A 34 -3.040 -7.739 4.287 1.00 0.00 C ATOM 332 CG TYR A 34 -3.234 -8.015 2.784 1.00 0.00 C ATOM 333 CD1 TYR A 34 -4.316 -7.467 2.090 1.00 0.00 C ATOM 334 CD2 TYR A 34 -2.359 -8.831 2.066 1.00 0.00 C ATOM 335 CE1 TYR A 34 -4.510 -7.720 0.747 1.00 0.00 C ATOM 336 CE2 TYR A 34 -2.555 -9.081 0.719 1.00 0.00 C ATOM 337 CZ TYR A 34 -3.629 -8.522 0.067 1.00 0.00 C ATOM 338 OH TYR A 34 -3.827 -8.778 -1.271 1.00 0.00 O ATOM 0 H TYR A 34 -3.912 -7.635 7.057 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.697 -9.089 4.588 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -3.284 -6.697 4.491 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.989 -7.875 4.540 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.015 -6.833 2.615 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.514 -9.275 2.570 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.355 -7.287 0.232 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.865 -9.714 0.181 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.113 -9.362 -1.601 1.00 0.00 H new ATOM 348 N GLU A 35 -2.610 -10.701 4.889 1.00 0.00 N ATOM 349 CA GLU A 35 -1.789 -11.913 5.182 1.00 0.00 C ATOM 350 C GLU A 35 -0.728 -11.674 6.278 1.00 0.00 C ATOM 351 O GLU A 35 -0.684 -12.375 7.297 1.00 0.00 O ATOM 352 CB GLU A 35 -1.057 -12.367 3.876 1.00 0.00 C ATOM 353 CG GLU A 35 -1.966 -12.588 2.654 1.00 0.00 C ATOM 354 CD GLU A 35 -2.990 -13.716 2.854 1.00 0.00 C ATOM 355 OE1 GLU A 35 -2.596 -14.899 2.795 1.00 0.00 O ATOM 356 OE2 GLU A 35 -4.186 -13.428 3.089 1.00 0.00 O ATOM 0 H GLU A 35 -2.783 -10.584 3.891 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.474 -12.679 5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.308 -11.618 3.620 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.522 -13.294 4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.495 -11.662 2.431 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.347 -12.818 1.787 1.00 0.00 H new ATOM 363 N GLU A 36 0.108 -10.662 6.044 1.00 0.00 N ATOM 364 CA GLU A 36 1.285 -10.359 6.876 1.00 0.00 C ATOM 365 C GLU A 36 1.249 -8.913 7.401 1.00 0.00 C ATOM 366 O GLU A 36 2.161 -8.469 8.108 1.00 0.00 O ATOM 367 CB GLU A 36 2.546 -10.615 6.015 1.00 0.00 C ATOM 368 CG GLU A 36 2.565 -9.853 4.672 1.00 0.00 C ATOM 369 CD GLU A 36 3.781 -10.197 3.796 1.00 0.00 C ATOM 370 OE1 GLU A 36 3.901 -11.361 3.365 1.00 0.00 O ATOM 371 OE2 GLU A 36 4.615 -9.317 3.526 1.00 0.00 O ATOM 0 H GLU A 36 -0.010 -10.018 5.262 1.00 0.00 H new ATOM 0 HA GLU A 36 1.294 -11.001 7.757 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.428 -10.334 6.591 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.623 -11.684 5.814 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.653 -10.080 4.120 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.560 -8.781 4.870 1.00 0.00 H new ATOM 378 N ILE A 37 0.188 -8.185 7.040 1.00 0.00 N ATOM 379 CA ILE A 37 0.019 -6.763 7.357 1.00 0.00 C ATOM 380 C ILE A 37 -1.237 -6.603 8.221 1.00 0.00 C ATOM 381 O ILE A 37 -2.245 -7.259 7.972 1.00 0.00 O ATOM 382 CB ILE A 37 -0.134 -5.931 6.033 1.00 0.00 C ATOM 383 CG1 ILE A 37 0.999 -6.299 5.000 1.00 0.00 C ATOM 384 CG2 ILE A 37 -0.158 -4.410 6.329 1.00 0.00 C ATOM 385 CD1 ILE A 37 0.560 -6.283 3.550 1.00 0.00 C ATOM 0 H ILE A 37 -0.592 -8.574 6.510 1.00 0.00 H new ATOM 0 HA ILE A 37 0.893 -6.397 7.897 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.091 -6.192 5.581 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.826 -5.600 5.123 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.382 -7.291 5.239 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.265 -3.859 5.395 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.998 -4.180 6.984 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.772 -4.120 6.817 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.403 -6.548 2.912 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.245 -7.004 3.406 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.206 -5.286 3.288 1.00 0.00 H new ATOM 397 N SER A 38 -1.166 -5.755 9.240 1.00 0.00 N ATOM 398 CA SER A 38 -2.307 -5.466 10.119 1.00 0.00 C ATOM 399 C SER A 38 -3.155 -4.310 9.540 1.00 0.00 C ATOM 400 O SER A 38 -2.628 -3.444 8.829 1.00 0.00 O ATOM 401 CB SER A 38 -1.767 -5.101 11.511 1.00 0.00 C ATOM 402 OG SER A 38 -0.917 -6.122 12.017 1.00 0.00 O ATOM 0 H SER A 38 -0.318 -5.245 9.486 1.00 0.00 H new ATOM 0 HA SER A 38 -2.951 -6.342 10.194 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.218 -4.161 11.456 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.599 -4.944 12.197 1.00 0.00 H new ATOM 0 HG SER A 38 -0.586 -5.863 12.902 1.00 0.00 H new ATOM 408 N ALA A 39 -4.472 -4.312 9.835 1.00 0.00 N ATOM 409 CA ALA A 39 -5.362 -3.184 9.507 1.00 0.00 C ATOM 410 C ALA A 39 -4.957 -1.950 10.336 1.00 0.00 C ATOM 411 O ALA A 39 -4.957 -2.002 11.575 1.00 0.00 O ATOM 412 CB ALA A 39 -6.835 -3.556 9.765 1.00 0.00 C ATOM 0 H ALA A 39 -4.942 -5.087 10.302 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.260 -2.949 8.448 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.473 -2.708 9.516 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.108 -4.410 9.146 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.967 -3.813 10.816 1.00 0.00 H new ATOM 418 N GLY A 40 -4.585 -0.866 9.645 1.00 0.00 N ATOM 419 CA GLY A 40 -4.117 0.363 10.292 1.00 0.00 C ATOM 420 C GLY A 40 -2.596 0.444 10.387 1.00 0.00 C ATOM 421 O GLY A 40 -2.070 1.322 11.081 1.00 0.00 O ATOM 0 H GLY A 40 -4.600 -0.817 8.626 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.487 1.224 9.735 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.542 0.424 11.294 1.00 0.00 H new ATOM 425 N ASP A 41 -1.886 -0.457 9.670 1.00 0.00 N ATOM 426 CA ASP A 41 -0.406 -0.437 9.591 1.00 0.00 C ATOM 427 C ASP A 41 0.054 0.627 8.583 1.00 0.00 C ATOM 428 O ASP A 41 -0.678 0.960 7.659 1.00 0.00 O ATOM 429 CB ASP A 41 0.155 -1.826 9.190 1.00 0.00 C ATOM 430 CG ASP A 41 1.689 -1.892 9.290 1.00 0.00 C ATOM 431 OD1 ASP A 41 2.198 -1.846 10.423 1.00 0.00 O ATOM 432 OD2 ASP A 41 2.387 -1.998 8.252 1.00 0.00 O ATOM 0 H ASP A 41 -2.317 -1.211 9.135 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.019 -0.189 10.579 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.281 -2.590 9.833 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.150 -2.057 8.169 1.00 0.00 H new ATOM 437 N GLU A 42 1.271 1.162 8.762 1.00 0.00 N ATOM 438 CA GLU A 42 1.804 2.239 7.913 1.00 0.00 C ATOM 439 C GLU A 42 2.979 1.734 7.079 1.00 0.00 C ATOM 440 O GLU A 42 3.980 1.252 7.616 1.00 0.00 O ATOM 441 CB GLU A 42 2.216 3.448 8.781 1.00 0.00 C ATOM 442 CG GLU A 42 1.047 4.044 9.571 1.00 0.00 C ATOM 443 CD GLU A 42 1.419 5.288 10.379 1.00 0.00 C ATOM 444 OE1 GLU A 42 2.047 5.150 11.449 1.00 0.00 O ATOM 445 OE2 GLU A 42 1.088 6.415 9.948 1.00 0.00 O ATOM 0 H GLU A 42 1.912 0.862 9.497 1.00 0.00 H new ATOM 0 HA GLU A 42 1.023 2.563 7.226 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.997 3.140 9.476 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.645 4.219 8.141 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.245 4.298 8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.655 3.286 10.249 1.00 0.00 H new ATOM 452 N GLY A 43 2.816 1.828 5.759 1.00 0.00 N ATOM 453 CA GLY A 43 3.866 1.527 4.805 1.00 0.00 C ATOM 454 C GLY A 43 4.402 2.781 4.155 1.00 0.00 C ATOM 455 O GLY A 43 4.014 3.903 4.523 1.00 0.00 O ATOM 0 H GLY A 43 1.940 2.119 5.325 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.677 1.002 5.309 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.480 0.855 4.038 1.00 0.00 H new ATOM 459 N GLU A 44 5.261 2.593 3.155 1.00 0.00 N ATOM 460 CA GLU A 44 5.736 3.676 2.297 1.00 0.00 C ATOM 461 C GLU A 44 5.655 3.198 0.848 1.00 0.00 C ATOM 462 O GLU A 44 5.982 2.038 0.564 1.00 0.00 O ATOM 463 CB GLU A 44 7.191 4.109 2.648 1.00 0.00 C ATOM 464 CG GLU A 44 7.646 5.386 1.909 1.00 0.00 C ATOM 465 CD GLU A 44 9.083 5.828 2.229 1.00 0.00 C ATOM 466 OE1 GLU A 44 9.357 6.209 3.384 1.00 0.00 O ATOM 467 OE2 GLU A 44 9.942 5.807 1.319 1.00 0.00 O ATOM 0 H GLU A 44 5.649 1.680 2.916 1.00 0.00 H new ATOM 0 HA GLU A 44 5.108 4.553 2.451 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.263 4.275 3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.873 3.295 2.404 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.561 5.219 0.835 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.965 6.199 2.160 1.00 0.00 H new ATOM 474 N PHE A 45 5.200 4.077 -0.058 1.00 0.00 N ATOM 475 CA PHE A 45 5.101 3.761 -1.487 1.00 0.00 C ATOM 476 C PHE A 45 6.504 3.669 -2.088 1.00 0.00 C ATOM 477 O PHE A 45 7.282 4.616 -1.990 1.00 0.00 O ATOM 478 CB PHE A 45 4.244 4.818 -2.215 1.00 0.00 C ATOM 479 CG PHE A 45 4.026 4.540 -3.708 1.00 0.00 C ATOM 480 CD1 PHE A 45 2.943 3.791 -4.151 1.00 0.00 C ATOM 481 CD2 PHE A 45 4.894 5.050 -4.664 1.00 0.00 C ATOM 482 CE1 PHE A 45 2.736 3.579 -5.497 1.00 0.00 C ATOM 483 CE2 PHE A 45 4.692 4.832 -6.010 1.00 0.00 C ATOM 484 CZ PHE A 45 3.610 4.100 -6.424 1.00 0.00 C ATOM 0 H PHE A 45 4.893 5.020 0.179 1.00 0.00 H new ATOM 0 HA PHE A 45 4.608 2.797 -1.613 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.273 4.881 -1.724 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.720 5.792 -2.105 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.255 3.370 -3.432 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.747 5.631 -4.346 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.885 3.002 -5.826 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.383 5.236 -6.735 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.443 3.932 -7.478 1.00 0.00 H new ATOM 494 N ARG A 46 6.817 2.517 -2.696 1.00 0.00 N ATOM 495 CA ARG A 46 8.148 2.265 -3.281 1.00 0.00 C ATOM 496 C ARG A 46 8.038 2.331 -4.807 1.00 0.00 C ATOM 497 O ARG A 46 8.784 3.054 -5.472 1.00 0.00 O ATOM 498 CB ARG A 46 8.669 0.866 -2.828 1.00 0.00 C ATOM 499 CG ARG A 46 8.373 0.506 -1.354 1.00 0.00 C ATOM 500 CD ARG A 46 9.021 1.479 -0.357 1.00 0.00 C ATOM 501 NE ARG A 46 10.491 1.403 -0.374 1.00 0.00 N ATOM 502 CZ ARG A 46 11.321 2.187 0.336 1.00 0.00 C ATOM 503 NH1 ARG A 46 10.859 3.149 1.118 1.00 0.00 N ATOM 504 NH2 ARG A 46 12.619 2.011 0.240 1.00 0.00 N ATOM 0 H ARG A 46 6.165 1.739 -2.798 1.00 0.00 H new ATOM 0 HA ARG A 46 8.856 3.020 -2.939 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.225 0.104 -3.469 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.747 0.827 -2.987 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.294 0.498 -1.197 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.731 -0.504 -1.153 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.710 2.497 -0.592 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.660 1.259 0.648 1.00 0.00 H new ATOM 0 HE ARG A 46 10.915 0.696 -0.975 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.854 3.308 1.191 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.508 3.731 1.647 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.991 1.283 -0.370 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.255 2.602 0.776 1.00 0.00 H new ATOM 518 N GLN A 47 7.037 1.601 -5.326 1.00 0.00 N ATOM 519 CA GLN A 47 6.745 1.500 -6.763 1.00 0.00 C ATOM 520 C GLN A 47 5.368 0.842 -6.947 1.00 0.00 C ATOM 521 O GLN A 47 4.815 0.261 -5.999 1.00 0.00 O ATOM 522 CB GLN A 47 7.847 0.683 -7.526 1.00 0.00 C ATOM 523 CG GLN A 47 7.893 -0.845 -7.239 1.00 0.00 C ATOM 524 CD GLN A 47 8.285 -1.200 -5.804 1.00 0.00 C ATOM 525 OE1 GLN A 47 9.456 -1.396 -5.491 1.00 0.00 O ATOM 526 NE2 GLN A 47 7.307 -1.234 -4.907 1.00 0.00 N ATOM 0 H GLN A 47 6.398 1.056 -4.748 1.00 0.00 H new ATOM 0 HA GLN A 47 6.739 2.504 -7.187 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.699 0.826 -8.596 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.820 1.107 -7.279 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.914 -1.274 -7.453 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.602 -1.311 -7.924 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.343 -1.067 -5.197 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.519 -1.427 -3.928 1.00 0.00 H new ATOM 535 N SER A 48 4.840 0.913 -8.167 1.00 0.00 N ATOM 536 CA SER A 48 3.524 0.376 -8.518 1.00 0.00 C ATOM 537 C SER A 48 3.546 -0.253 -9.900 1.00 0.00 C ATOM 538 O SER A 48 4.589 -0.302 -10.571 1.00 0.00 O ATOM 539 CB SER A 48 2.482 1.504 -8.490 1.00 0.00 C ATOM 540 OG SER A 48 2.827 2.555 -9.374 1.00 0.00 O ATOM 0 H SER A 48 5.321 1.352 -8.953 1.00 0.00 H new ATOM 0 HA SER A 48 3.262 -0.391 -7.790 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.505 1.104 -8.763 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.395 1.895 -7.476 1.00 0.00 H new ATOM 0 HG SER A 48 2.143 3.255 -9.333 1.00 0.00 H new ATOM 546 N ASN A 49 2.379 -0.767 -10.297 1.00 0.00 N ATOM 547 CA ASN A 49 2.116 -1.207 -11.669 1.00 0.00 C ATOM 548 C ASN A 49 0.896 -0.420 -12.180 1.00 0.00 C ATOM 549 O ASN A 49 -0.178 -0.458 -11.565 1.00 0.00 O ATOM 550 CB ASN A 49 1.868 -2.732 -11.712 1.00 0.00 C ATOM 551 CG ASN A 49 2.956 -3.552 -11.010 1.00 0.00 C ATOM 552 OD1 ASN A 49 3.978 -3.891 -11.601 1.00 0.00 O ATOM 553 ND2 ASN A 49 2.735 -3.890 -9.743 1.00 0.00 N ATOM 0 H ASN A 49 1.584 -0.890 -9.670 1.00 0.00 H new ATOM 0 HA ASN A 49 2.976 -1.013 -12.310 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.906 -2.948 -11.248 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.799 -3.051 -12.752 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.424 -4.445 -9.236 1.00 0.00 H new ATOM 0 HD22 ASN A 49 1.877 -3.594 -9.278 1.00 0.00 H new ATOM 560 N ASN A 50 1.095 0.312 -13.288 1.00 0.00 N ATOM 561 CA ASN A 50 0.104 1.266 -13.850 1.00 0.00 C ATOM 562 C ASN A 50 -1.131 0.545 -14.429 1.00 0.00 C ATOM 563 O ASN A 50 -2.234 1.116 -14.473 1.00 0.00 O ATOM 564 CB ASN A 50 0.795 2.131 -14.939 1.00 0.00 C ATOM 565 CG ASN A 50 1.961 2.961 -14.386 1.00 0.00 C ATOM 566 OD1 ASN A 50 1.870 3.538 -13.297 1.00 0.00 O ATOM 567 ND2 ASN A 50 3.077 2.990 -15.101 1.00 0.00 N ATOM 0 H ASN A 50 1.957 0.263 -13.831 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.256 1.904 -13.043 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.162 1.482 -15.734 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.059 2.799 -15.387 1.00 0.00 H new ATOM 0 HD21 ASN A 50 3.891 3.498 -14.756 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.122 2.504 -15.997 1.00 0.00 H new ATOM 574 N GLY A 51 -0.920 -0.701 -14.880 1.00 0.00 N ATOM 575 CA GLY A 51 -1.987 -1.546 -15.412 1.00 0.00 C ATOM 576 C GLY A 51 -2.443 -2.591 -14.403 1.00 0.00 C ATOM 577 O GLY A 51 -3.628 -2.911 -14.319 1.00 0.00 O ATOM 0 H GLY A 51 -0.002 -1.146 -14.884 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.835 -0.923 -15.697 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.638 -2.044 -16.317 1.00 0.00 H new ATOM 581 N ILE A 52 -1.501 -3.099 -13.589 1.00 0.00 N ATOM 582 CA ILE A 52 -1.753 -4.253 -12.696 1.00 0.00 C ATOM 583 C ILE A 52 -2.055 -3.718 -11.273 1.00 0.00 C ATOM 584 O ILE A 52 -1.169 -3.134 -10.640 1.00 0.00 O ATOM 585 CB ILE A 52 -0.513 -5.235 -12.665 1.00 0.00 C ATOM 586 CG1 ILE A 52 0.079 -5.456 -14.099 1.00 0.00 C ATOM 587 CG2 ILE A 52 -0.865 -6.594 -12.008 1.00 0.00 C ATOM 588 CD1 ILE A 52 -0.872 -6.090 -15.114 1.00 0.00 C ATOM 0 H ILE A 52 -0.552 -2.729 -13.528 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.606 -4.819 -13.072 1.00 0.00 H new ATOM 0 HB ILE A 52 0.249 -4.757 -12.050 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.409 -4.493 -14.489 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.964 -6.086 -14.014 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.015 -7.237 -12.008 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.193 -6.428 -10.982 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.665 -7.074 -12.571 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.363 -6.198 -16.072 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.184 -7.071 -14.756 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.748 -5.454 -15.239 1.00 0.00 H new ATOM 600 N PRO A 53 -3.310 -3.897 -10.750 1.00 0.00 N ATOM 601 CA PRO A 53 -3.764 -3.229 -9.500 1.00 0.00 C ATOM 602 C PRO A 53 -3.022 -3.560 -8.148 1.00 0.00 C ATOM 603 O PRO A 53 -3.096 -2.724 -7.239 1.00 0.00 O ATOM 604 CB PRO A 53 -5.277 -3.578 -9.429 1.00 0.00 C ATOM 605 CG PRO A 53 -5.425 -4.828 -10.242 1.00 0.00 C ATOM 606 CD PRO A 53 -4.414 -4.706 -11.363 1.00 0.00 C ATOM 0 HA PRO A 53 -3.526 -2.168 -9.576 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.598 -3.737 -8.399 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -5.888 -2.770 -9.832 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.234 -5.714 -9.637 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -6.437 -4.922 -10.635 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.061 -5.683 -11.693 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.839 -4.209 -12.235 1.00 0.00 H new ATOM 614 N PRO A 54 -2.351 -4.749 -7.913 1.00 0.00 N ATOM 615 CA PRO A 54 -1.491 -4.913 -6.717 1.00 0.00 C ATOM 616 C PRO A 54 -0.238 -4.000 -6.785 1.00 0.00 C ATOM 617 O PRO A 54 0.625 -4.161 -7.656 1.00 0.00 O ATOM 618 CB PRO A 54 -1.127 -6.422 -6.725 1.00 0.00 C ATOM 619 CG PRO A 54 -1.264 -6.824 -8.156 1.00 0.00 C ATOM 620 CD PRO A 54 -2.428 -6.016 -8.681 1.00 0.00 C ATOM 0 HA PRO A 54 -1.989 -4.618 -5.793 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.114 -6.589 -6.360 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -1.796 -6.996 -6.084 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.352 -6.611 -8.714 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.452 -7.894 -8.249 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.342 -5.840 -9.753 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.377 -6.527 -8.517 1.00 0.00 H new ATOM 628 N VAL A 55 -0.217 -2.976 -5.911 1.00 0.00 N ATOM 629 CA VAL A 55 0.956 -2.113 -5.675 1.00 0.00 C ATOM 630 C VAL A 55 1.832 -2.703 -4.553 1.00 0.00 C ATOM 631 O VAL A 55 1.321 -3.274 -3.578 1.00 0.00 O ATOM 632 CB VAL A 55 0.536 -0.630 -5.324 1.00 0.00 C ATOM 633 CG1 VAL A 55 -0.552 -0.591 -4.229 1.00 0.00 C ATOM 634 CG2 VAL A 55 1.760 0.237 -4.916 1.00 0.00 C ATOM 0 H VAL A 55 -1.024 -2.722 -5.342 1.00 0.00 H new ATOM 0 HA VAL A 55 1.532 -2.078 -6.600 1.00 0.00 H new ATOM 0 HB VAL A 55 0.114 -0.200 -6.232 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.815 0.445 -4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.436 -1.126 -4.576 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.174 -1.064 -3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.428 1.249 -4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.239 -0.199 -4.039 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.473 0.270 -5.740 1.00 0.00 H new ATOM 644 N GLN A 56 3.163 -2.588 -4.736 1.00 0.00 N ATOM 645 CA GLN A 56 4.159 -3.042 -3.764 1.00 0.00 C ATOM 646 C GLN A 56 4.530 -1.849 -2.847 1.00 0.00 C ATOM 647 O GLN A 56 5.001 -0.804 -3.318 1.00 0.00 O ATOM 648 CB GLN A 56 5.429 -3.603 -4.476 1.00 0.00 C ATOM 649 CG GLN A 56 5.241 -4.848 -5.377 1.00 0.00 C ATOM 650 CD GLN A 56 4.421 -4.576 -6.644 1.00 0.00 C ATOM 651 OE1 GLN A 56 4.952 -4.180 -7.680 1.00 0.00 O ATOM 652 NE2 GLN A 56 3.117 -4.780 -6.559 1.00 0.00 N ATOM 0 H GLN A 56 3.573 -2.173 -5.573 1.00 0.00 H new ATOM 0 HA GLN A 56 3.739 -3.853 -3.169 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.855 -2.806 -5.085 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.166 -3.848 -3.711 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.221 -5.228 -5.664 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.751 -5.632 -4.800 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.708 -5.109 -5.684 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.520 -4.608 -7.368 1.00 0.00 H new ATOM 661 N VAL A 57 4.315 -2.033 -1.544 1.00 0.00 N ATOM 662 CA VAL A 57 4.538 -1.012 -0.494 1.00 0.00 C ATOM 663 C VAL A 57 5.247 -1.679 0.685 1.00 0.00 C ATOM 664 O VAL A 57 4.908 -2.805 1.049 1.00 0.00 O ATOM 665 CB VAL A 57 3.177 -0.338 -0.014 1.00 0.00 C ATOM 666 CG1 VAL A 57 2.976 1.048 -0.646 1.00 0.00 C ATOM 667 CG2 VAL A 57 1.954 -1.244 -0.313 1.00 0.00 C ATOM 0 H VAL A 57 3.971 -2.917 -1.169 1.00 0.00 H new ATOM 0 HA VAL A 57 5.154 -0.213 -0.908 1.00 0.00 H new ATOM 0 HB VAL A 57 3.254 -0.213 1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.037 1.476 -0.294 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.801 1.701 -0.361 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.947 0.952 -1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.044 -0.751 0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.888 -1.424 -1.386 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.069 -2.194 0.208 1.00 0.00 H new ATOM 677 N PHE A 58 6.253 -0.992 1.251 1.00 0.00 N ATOM 678 CA PHE A 58 7.082 -1.533 2.346 1.00 0.00 C ATOM 679 C PHE A 58 6.360 -1.306 3.682 1.00 0.00 C ATOM 680 O PHE A 58 6.319 -0.181 4.177 1.00 0.00 O ATOM 681 CB PHE A 58 8.477 -0.843 2.331 1.00 0.00 C ATOM 682 CG PHE A 58 9.509 -1.418 3.304 1.00 0.00 C ATOM 683 CD1 PHE A 58 10.333 -2.480 2.925 1.00 0.00 C ATOM 684 CD2 PHE A 58 9.674 -0.886 4.587 1.00 0.00 C ATOM 685 CE1 PHE A 58 11.276 -2.992 3.794 1.00 0.00 C ATOM 686 CE2 PHE A 58 10.619 -1.399 5.453 1.00 0.00 C ATOM 687 CZ PHE A 58 11.421 -2.449 5.054 1.00 0.00 C ATOM 0 H PHE A 58 6.516 -0.049 0.965 1.00 0.00 H new ATOM 0 HA PHE A 58 7.234 -2.604 2.213 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.882 -0.905 1.321 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.342 0.215 2.556 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.231 -2.907 1.938 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.053 -0.062 4.905 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.900 -3.818 3.487 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.731 -0.979 6.442 1.00 0.00 H new ATOM 0 HZ PHE A 58 12.164 -2.847 5.730 1.00 0.00 H new ATOM 697 N TRP A 59 5.812 -2.387 4.246 1.00 0.00 N ATOM 698 CA TRP A 59 5.021 -2.366 5.488 1.00 0.00 C ATOM 699 C TRP A 59 5.905 -2.702 6.685 1.00 0.00 C ATOM 700 O TRP A 59 6.653 -3.687 6.646 1.00 0.00 O ATOM 701 CB TRP A 59 3.859 -3.377 5.410 1.00 0.00 C ATOM 702 CG TRP A 59 2.915 -3.120 4.273 1.00 0.00 C ATOM 703 CD1 TRP A 59 2.897 -3.748 3.066 1.00 0.00 C ATOM 704 CD2 TRP A 59 1.874 -2.141 4.238 1.00 0.00 C ATOM 705 NE1 TRP A 59 1.887 -3.246 2.294 1.00 0.00 N ATOM 706 CE2 TRP A 59 1.245 -2.248 2.993 1.00 0.00 C ATOM 707 CE3 TRP A 59 1.410 -1.193 5.149 1.00 0.00 C ATOM 708 CZ2 TRP A 59 0.168 -1.437 2.633 1.00 0.00 C ATOM 709 CZ3 TRP A 59 0.353 -0.387 4.792 1.00 0.00 C ATOM 710 CH2 TRP A 59 -0.259 -0.511 3.543 1.00 0.00 C ATOM 0 H TRP A 59 5.906 -3.321 3.847 1.00 0.00 H new ATOM 0 HA TRP A 59 4.612 -1.363 5.611 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.269 -4.382 5.311 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.302 -3.351 6.347 1.00 0.00 H new ATOM 0 HD1 TRP A 59 3.580 -4.528 2.763 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.648 -3.559 1.353 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.873 -1.093 6.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.311 -1.537 1.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.009 0.354 5.490 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.085 0.137 3.291 1.00 0.00 H new ATOM 721 N GLN A 60 5.806 -1.881 7.740 1.00 0.00 N ATOM 722 CA GLN A 60 6.561 -2.074 8.989 1.00 0.00 C ATOM 723 C GLN A 60 6.077 -3.314 9.782 1.00 0.00 C ATOM 724 O GLN A 60 6.858 -3.877 10.558 1.00 0.00 O ATOM 725 CB GLN A 60 6.483 -0.799 9.866 1.00 0.00 C ATOM 726 CG GLN A 60 5.052 -0.361 10.218 1.00 0.00 C ATOM 727 CD GLN A 60 4.988 0.747 11.256 1.00 0.00 C ATOM 728 OE1 GLN A 60 4.970 1.936 10.930 1.00 0.00 O ATOM 729 NE2 GLN A 60 4.952 0.358 12.518 1.00 0.00 N ATOM 0 H GLN A 60 5.199 -1.062 7.752 1.00 0.00 H new ATOM 0 HA GLN A 60 7.601 -2.256 8.717 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.035 -0.973 10.790 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.983 0.018 9.345 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.551 -0.025 9.310 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.498 -1.224 10.587 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.969 -0.636 12.746 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.908 1.052 13.264 1.00 0.00 H new ATOM 738 N SER A 61 4.799 -3.726 9.578 1.00 0.00 N ATOM 739 CA SER A 61 4.208 -4.916 10.253 1.00 0.00 C ATOM 740 C SER A 61 4.999 -6.188 9.912 1.00 0.00 C ATOM 741 O SER A 61 5.304 -7.012 10.787 1.00 0.00 O ATOM 742 CB SER A 61 2.730 -5.111 9.818 1.00 0.00 C ATOM 743 OG SER A 61 2.128 -6.243 10.424 1.00 0.00 O ATOM 0 H SER A 61 4.153 -3.250 8.948 1.00 0.00 H new ATOM 0 HA SER A 61 4.253 -4.741 11.328 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.159 -4.219 10.075 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.685 -5.217 8.734 1.00 0.00 H new ATOM 0 HG SER A 61 2.095 -6.980 9.779 1.00 0.00 H new ATOM 749 N THR A 62 5.330 -6.318 8.623 1.00 0.00 N ATOM 750 CA THR A 62 5.987 -7.511 8.061 1.00 0.00 C ATOM 751 C THR A 62 7.478 -7.258 7.765 1.00 0.00 C ATOM 752 O THR A 62 8.247 -8.204 7.540 1.00 0.00 O ATOM 753 CB THR A 62 5.242 -7.960 6.769 1.00 0.00 C ATOM 754 OG1 THR A 62 5.854 -9.139 6.223 1.00 0.00 O ATOM 755 CG2 THR A 62 5.184 -6.844 5.700 1.00 0.00 C ATOM 0 H THR A 62 5.149 -5.592 7.930 1.00 0.00 H new ATOM 0 HA THR A 62 5.937 -8.307 8.804 1.00 0.00 H new ATOM 0 HB THR A 62 4.215 -8.184 7.056 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.637 -9.209 5.270 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.654 -7.210 4.820 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.660 -5.979 6.105 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.197 -6.556 5.420 1.00 0.00 H new ATOM 763 N GLY A 63 7.872 -5.969 7.763 1.00 0.00 N ATOM 764 CA GLY A 63 9.262 -5.567 7.526 1.00 0.00 C ATOM 765 C GLY A 63 9.691 -5.643 6.067 1.00 0.00 C ATOM 766 O GLY A 63 10.893 -5.630 5.780 1.00 0.00 O ATOM 0 H GLY A 63 7.237 -5.187 7.925 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.399 -4.546 7.881 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.919 -6.202 8.120 1.00 0.00 H new ATOM 770 N ARG A 64 8.715 -5.737 5.140 1.00 0.00 N ATOM 771 CA ARG A 64 8.994 -5.973 3.713 1.00 0.00 C ATOM 772 C ARG A 64 7.889 -5.398 2.820 1.00 0.00 C ATOM 773 O ARG A 64 6.837 -4.958 3.301 1.00 0.00 O ATOM 774 CB ARG A 64 9.171 -7.492 3.455 1.00 0.00 C ATOM 775 CG ARG A 64 7.912 -8.321 3.768 1.00 0.00 C ATOM 776 CD ARG A 64 8.138 -9.827 3.644 1.00 0.00 C ATOM 777 NE ARG A 64 8.501 -10.235 2.266 1.00 0.00 N ATOM 778 CZ ARG A 64 7.629 -10.603 1.310 1.00 0.00 C ATOM 779 NH1 ARG A 64 6.320 -10.550 1.510 1.00 0.00 N ATOM 780 NH2 ARG A 64 8.079 -10.997 0.130 1.00 0.00 N ATOM 0 H ARG A 64 7.722 -5.652 5.359 1.00 0.00 H new ATOM 0 HA ARG A 64 9.919 -5.457 3.458 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.447 -7.645 2.412 1.00 0.00 H new ATOM 0 HB3 ARG A 64 9.999 -7.861 4.061 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.576 -8.092 4.780 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.111 -8.023 3.091 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.929 -10.130 4.330 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.233 -10.353 3.949 1.00 0.00 H new ATOM 0 HE ARG A 64 9.492 -10.237 2.023 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.954 -10.225 2.405 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.679 -10.835 0.769 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.083 -11.021 -0.051 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.422 -11.277 -0.599 1.00 0.00 H new ATOM 794 N THR A 65 8.150 -5.458 1.512 1.00 0.00 N ATOM 795 CA THR A 65 7.277 -4.957 0.459 1.00 0.00 C ATOM 796 C THR A 65 6.279 -6.059 0.047 1.00 0.00 C ATOM 797 O THR A 65 6.693 -7.208 -0.174 1.00 0.00 O ATOM 798 CB THR A 65 8.161 -4.521 -0.771 1.00 0.00 C ATOM 799 OG1 THR A 65 9.511 -4.242 -0.343 1.00 0.00 O ATOM 800 CG2 THR A 65 7.611 -3.268 -1.448 1.00 0.00 C ATOM 0 H THR A 65 9.008 -5.873 1.149 1.00 0.00 H new ATOM 0 HA THR A 65 6.712 -4.096 0.816 1.00 0.00 H new ATOM 0 HB THR A 65 8.145 -5.348 -1.481 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.050 -3.974 -1.116 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.248 -3.000 -2.291 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.600 -3.462 -1.805 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.592 -2.446 -0.732 1.00 0.00 H new ATOM 808 N TYR A 66 4.977 -5.717 -0.058 1.00 0.00 N ATOM 809 CA TYR A 66 3.932 -6.709 -0.378 1.00 0.00 C ATOM 810 C TYR A 66 2.867 -6.128 -1.318 1.00 0.00 C ATOM 811 O TYR A 66 2.672 -4.907 -1.392 1.00 0.00 O ATOM 812 CB TYR A 66 3.287 -7.248 0.936 1.00 0.00 C ATOM 813 CG TYR A 66 2.620 -8.633 0.802 1.00 0.00 C ATOM 814 CD1 TYR A 66 3.353 -9.727 0.328 1.00 0.00 C ATOM 815 CD2 TYR A 66 1.292 -8.865 1.172 1.00 0.00 C ATOM 816 CE1 TYR A 66 2.788 -10.982 0.225 1.00 0.00 C ATOM 817 CE2 TYR A 66 0.733 -10.125 1.067 1.00 0.00 C ATOM 818 CZ TYR A 66 1.481 -11.174 0.597 1.00 0.00 C ATOM 819 OH TYR A 66 0.914 -12.422 0.499 1.00 0.00 O ATOM 0 H TYR A 66 4.628 -4.768 0.073 1.00 0.00 H new ATOM 0 HA TYR A 66 4.402 -7.540 -0.904 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.056 -7.302 1.707 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.541 -6.532 1.280 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.383 -9.586 0.036 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.694 -8.047 1.546 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.373 -11.810 -0.147 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.295 -10.284 1.356 1.00 0.00 H new ATOM 0 HH TYR A 66 1.605 -13.106 0.622 1.00 0.00 H new ATOM 829 N TRP A 67 2.177 -7.053 -2.003 1.00 0.00 N ATOM 830 CA TRP A 67 1.191 -6.776 -3.050 1.00 0.00 C ATOM 831 C TRP A 67 -0.196 -6.591 -2.421 1.00 0.00 C ATOM 832 O TRP A 67 -0.733 -7.527 -1.810 1.00 0.00 O ATOM 833 CB TRP A 67 1.176 -7.958 -4.065 1.00 0.00 C ATOM 834 CG TRP A 67 2.509 -8.194 -4.740 1.00 0.00 C ATOM 835 CD1 TRP A 67 2.891 -7.748 -5.965 1.00 0.00 C ATOM 836 CD2 TRP A 67 3.633 -8.933 -4.223 1.00 0.00 C ATOM 837 NE1 TRP A 67 4.180 -8.125 -6.225 1.00 0.00 N ATOM 838 CE2 TRP A 67 4.652 -8.863 -5.182 1.00 0.00 C ATOM 839 CE3 TRP A 67 3.875 -9.637 -3.046 1.00 0.00 C ATOM 840 CZ2 TRP A 67 5.892 -9.465 -5.001 1.00 0.00 C ATOM 841 CZ3 TRP A 67 5.104 -10.241 -2.862 1.00 0.00 C ATOM 842 CH2 TRP A 67 6.101 -10.150 -3.837 1.00 0.00 C ATOM 0 H TRP A 67 2.298 -8.052 -1.834 1.00 0.00 H new ATOM 0 HA TRP A 67 1.458 -5.859 -3.575 1.00 0.00 H new ATOM 0 HB2 TRP A 67 0.875 -8.868 -3.546 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.422 -7.762 -4.827 1.00 0.00 H new ATOM 0 HD1 TRP A 67 2.267 -7.178 -6.637 1.00 0.00 H new ATOM 0 HE1 TRP A 67 4.705 -7.890 -7.067 1.00 0.00 H new ATOM 0 HE3 TRP A 67 3.111 -9.710 -2.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 6.663 -9.394 -5.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 5.297 -10.791 -1.953 1.00 0.00 H new ATOM 0 HH2 TRP A 67 7.054 -10.630 -3.668 1.00 0.00 H new ATOM 853 N VAL A 68 -0.751 -5.375 -2.547 1.00 0.00 N ATOM 854 CA VAL A 68 -2.105 -5.029 -2.050 1.00 0.00 C ATOM 855 C VAL A 68 -2.836 -4.190 -3.112 1.00 0.00 C ATOM 856 O VAL A 68 -2.194 -3.440 -3.855 1.00 0.00 O ATOM 857 CB VAL A 68 -2.071 -4.239 -0.671 1.00 0.00 C ATOM 858 CG1 VAL A 68 -1.405 -5.078 0.456 1.00 0.00 C ATOM 859 CG2 VAL A 68 -1.384 -2.852 -0.813 1.00 0.00 C ATOM 0 H VAL A 68 -0.275 -4.594 -2.999 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.635 -5.964 -1.868 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.108 -4.063 -0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.401 -4.504 1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.967 -6.000 0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.380 -5.318 0.173 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.382 -2.346 0.153 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.357 -2.988 -1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.930 -2.248 -1.538 1.00 0.00 H new ATOM 869 N HIS A 69 -4.172 -4.334 -3.199 1.00 0.00 N ATOM 870 CA HIS A 69 -4.996 -3.506 -4.105 1.00 0.00 C ATOM 871 C HIS A 69 -5.102 -2.078 -3.530 1.00 0.00 C ATOM 872 O HIS A 69 -5.151 -1.886 -2.308 1.00 0.00 O ATOM 873 CB HIS A 69 -6.413 -4.127 -4.326 1.00 0.00 C ATOM 874 CG HIS A 69 -7.242 -3.511 -5.454 1.00 0.00 C ATOM 875 ND1 HIS A 69 -7.359 -4.080 -6.705 1.00 0.00 N ATOM 876 CD2 HIS A 69 -8.011 -2.390 -5.500 1.00 0.00 C ATOM 877 CE1 HIS A 69 -8.158 -3.335 -7.460 1.00 0.00 C ATOM 878 NE2 HIS A 69 -8.564 -2.310 -6.751 1.00 0.00 N ATOM 0 H HIS A 69 -4.704 -5.013 -2.655 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.513 -3.469 -5.081 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -6.295 -5.192 -4.527 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.976 -4.039 -3.397 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -8.159 -1.687 -4.693 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -8.428 -3.539 -8.486 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -9.189 -1.573 -7.077 1.00 0.00 H new ATOM 887 N TRP A 70 -5.171 -1.113 -4.441 1.00 0.00 N ATOM 888 CA TRP A 70 -5.223 0.336 -4.156 1.00 0.00 C ATOM 889 C TRP A 70 -6.361 0.744 -3.183 1.00 0.00 C ATOM 890 O TRP A 70 -6.225 1.701 -2.435 1.00 0.00 O ATOM 891 CB TRP A 70 -5.430 1.057 -5.494 1.00 0.00 C ATOM 892 CG TRP A 70 -4.342 0.848 -6.504 1.00 0.00 C ATOM 893 CD1 TRP A 70 -4.356 -0.001 -7.574 1.00 0.00 C ATOM 894 CD2 TRP A 70 -3.086 1.523 -6.541 1.00 0.00 C ATOM 895 NE1 TRP A 70 -3.172 0.087 -8.258 1.00 0.00 N ATOM 896 CE2 TRP A 70 -2.378 1.025 -7.647 1.00 0.00 C ATOM 897 CE3 TRP A 70 -2.493 2.504 -5.740 1.00 0.00 C ATOM 898 CZ2 TRP A 70 -1.106 1.471 -7.969 1.00 0.00 C ATOM 899 CZ3 TRP A 70 -1.232 2.945 -6.063 1.00 0.00 C ATOM 900 CH2 TRP A 70 -0.553 2.436 -7.170 1.00 0.00 C ATOM 0 H TRP A 70 -5.194 -1.316 -5.440 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.290 0.613 -3.665 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -6.374 0.725 -5.926 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -5.526 2.126 -5.302 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -5.179 -0.647 -7.842 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -2.922 -0.455 -9.085 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.015 2.907 -4.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.571 1.072 -8.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.759 3.698 -5.450 1.00 0.00 H new ATOM 0 HH2 TRP A 70 0.432 2.812 -7.403 1.00 0.00 H new ATOM 911 N HIS A 71 -7.483 0.004 -3.218 1.00 0.00 N ATOM 912 CA HIS A 71 -8.713 0.333 -2.451 1.00 0.00 C ATOM 913 C HIS A 71 -8.582 -0.098 -0.975 1.00 0.00 C ATOM 914 O HIS A 71 -9.339 0.364 -0.120 1.00 0.00 O ATOM 915 CB HIS A 71 -9.942 -0.324 -3.139 1.00 0.00 C ATOM 916 CG HIS A 71 -11.282 0.078 -2.579 1.00 0.00 C ATOM 917 ND1 HIS A 71 -11.896 -0.600 -1.552 1.00 0.00 N ATOM 918 CD2 HIS A 71 -12.123 1.088 -2.909 1.00 0.00 C ATOM 919 CE1 HIS A 71 -13.046 -0.031 -1.274 1.00 0.00 C ATOM 920 NE2 HIS A 71 -13.206 0.997 -2.077 1.00 0.00 N ATOM 0 H HIS A 71 -7.570 -0.844 -3.779 1.00 0.00 H new ATOM 0 HA HIS A 71 -8.855 1.414 -2.448 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -9.920 -0.075 -4.200 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -9.845 -1.407 -3.063 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -11.968 1.826 -3.683 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -13.743 -0.353 -0.514 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -14.009 1.626 -2.080 1.00 0.00 H new ATOM 929 N MET A 72 -7.619 -0.998 -0.695 1.00 0.00 N ATOM 930 CA MET A 72 -7.235 -1.383 0.685 1.00 0.00 C ATOM 931 C MET A 72 -5.954 -0.648 1.117 1.00 0.00 C ATOM 932 O MET A 72 -5.418 -0.902 2.203 1.00 0.00 O ATOM 933 CB MET A 72 -7.045 -2.919 0.784 1.00 0.00 C ATOM 934 CG MET A 72 -8.325 -3.731 0.553 1.00 0.00 C ATOM 935 SD MET A 72 -8.021 -5.508 0.504 1.00 0.00 S ATOM 936 CE MET A 72 -6.951 -5.649 -0.931 1.00 0.00 C ATOM 0 H MET A 72 -7.083 -1.481 -1.416 1.00 0.00 H new ATOM 0 HA MET A 72 -8.038 -1.091 1.361 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.296 -3.228 0.055 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.648 -3.161 1.770 1.00 0.00 H new ATOM 0 HG2 MET A 72 -9.039 -3.510 1.347 1.00 0.00 H new ATOM 0 HG3 MET A 72 -8.784 -3.419 -0.385 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.855 -6.698 -1.211 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.381 -5.089 -1.762 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.967 -5.245 -0.692 1.00 0.00 H new ATOM 946 N LEU A 73 -5.475 0.258 0.254 1.00 0.00 N ATOM 947 CA LEU A 73 -4.399 1.193 0.572 1.00 0.00 C ATOM 948 C LEU A 73 -5.054 2.563 0.812 1.00 0.00 C ATOM 949 O LEU A 73 -5.713 3.112 -0.078 1.00 0.00 O ATOM 950 CB LEU A 73 -3.344 1.213 -0.592 1.00 0.00 C ATOM 951 CG LEU A 73 -2.023 2.049 -0.366 1.00 0.00 C ATOM 952 CD1 LEU A 73 -0.864 1.517 -1.242 1.00 0.00 C ATOM 953 CD2 LEU A 73 -2.233 3.561 -0.637 1.00 0.00 C ATOM 0 H LEU A 73 -5.832 0.360 -0.696 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.851 0.899 1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.058 0.183 -0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.836 1.597 -1.485 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.758 1.928 0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.031 2.113 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.663 0.476 -0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.142 1.586 -2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.297 4.094 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.552 3.705 -1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.998 3.949 0.036 1.00 0.00 H new ATOM 965 N GLU A 74 -4.863 3.101 2.012 1.00 0.00 N ATOM 966 CA GLU A 74 -5.347 4.426 2.410 1.00 0.00 C ATOM 967 C GLU A 74 -4.155 5.382 2.438 1.00 0.00 C ATOM 968 O GLU A 74 -3.133 5.059 3.020 1.00 0.00 O ATOM 969 CB GLU A 74 -6.030 4.353 3.812 1.00 0.00 C ATOM 970 CG GLU A 74 -6.417 5.720 4.422 1.00 0.00 C ATOM 971 CD GLU A 74 -7.136 5.600 5.781 1.00 0.00 C ATOM 972 OE1 GLU A 74 -6.480 5.255 6.790 1.00 0.00 O ATOM 973 OE2 GLU A 74 -8.354 5.866 5.850 1.00 0.00 O ATOM 0 H GLU A 74 -4.356 2.620 2.755 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.090 4.785 1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.928 3.741 3.730 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.358 3.842 4.501 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.517 6.322 4.547 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.062 6.252 3.723 1.00 0.00 H new ATOM 980 N ILE A 75 -4.255 6.540 1.782 1.00 0.00 N ATOM 981 CA ILE A 75 -3.193 7.555 1.837 1.00 0.00 C ATOM 982 C ILE A 75 -3.532 8.611 2.906 1.00 0.00 C ATOM 983 O ILE A 75 -4.529 9.334 2.807 1.00 0.00 O ATOM 984 CB ILE A 75 -2.907 8.208 0.431 1.00 0.00 C ATOM 985 CG1 ILE A 75 -4.208 8.752 -0.244 1.00 0.00 C ATOM 986 CG2 ILE A 75 -2.184 7.193 -0.490 1.00 0.00 C ATOM 987 CD1 ILE A 75 -3.984 9.437 -1.581 1.00 0.00 C ATOM 0 H ILE A 75 -5.056 6.801 1.207 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.267 7.057 2.123 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.255 9.067 0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.902 7.924 -0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.687 9.457 0.435 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.991 7.654 -1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.239 6.897 -0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.813 6.313 -0.626 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.939 9.783 -1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.317 10.289 -1.446 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.535 8.732 -2.280 1.00 0.00 H new ATOM 999 N LEU A 76 -2.689 8.661 3.943 1.00 0.00 N ATOM 1000 CA LEU A 76 -2.816 9.608 5.069 1.00 0.00 C ATOM 1001 C LEU A 76 -1.472 10.364 5.254 1.00 0.00 C ATOM 1002 O LEU A 76 -1.265 11.070 6.252 1.00 0.00 O ATOM 1003 CB LEU A 76 -3.261 8.826 6.352 1.00 0.00 C ATOM 1004 CG LEU A 76 -3.782 9.686 7.552 1.00 0.00 C ATOM 1005 CD1 LEU A 76 -4.959 10.598 7.128 1.00 0.00 C ATOM 1006 CD2 LEU A 76 -4.167 8.790 8.756 1.00 0.00 C ATOM 0 H LEU A 76 -1.886 8.038 4.030 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.581 10.358 4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.047 8.125 6.069 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.415 8.233 6.700 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.966 10.336 7.870 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.295 11.180 7.986 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.630 11.273 6.338 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.782 9.984 6.762 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.525 9.414 9.574 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.954 8.097 8.457 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.293 8.227 9.085 1.00 0.00 H new ATOM 1018 N GLY A 77 -0.572 10.201 4.253 1.00 0.00 N ATOM 1019 CA GLY A 77 0.670 10.969 4.148 1.00 0.00 C ATOM 1020 C GLY A 77 0.430 12.476 3.993 1.00 0.00 C ATOM 1021 O GLY A 77 0.979 13.264 4.774 1.00 0.00 O ATOM 0 H GLY A 77 -0.698 9.527 3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.276 10.792 5.036 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.243 10.608 3.294 1.00 0.00 H new TER 1025 GLY A 77