USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 827 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 77 THR OG1 : rot 180:sc= -0.0752 USER MOD Set 1.2: A 81 THR OG1 : rot 84:sc= 1.14 USER MOD Set 2.1: A 71 ASN : amide:sc= -2.07! K(o=-2!,f=0.19) USER MOD Set 2.2: A 73 THR OG1 : rot 180:sc= 0.0528 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 101:sc= 0.312 USER MOD Single : A 7 ASN : amide:sc= -3.18! C(o=-3.2!,f=-8.8!) USER MOD Single : A 11 MET CE :methyl 167:sc= -0.17 (180deg=-0.54) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -158:sc= 0.743 (180deg=-0.361!) USER MOD Single : A 63 MET CE :methyl -179:sc= -0.105 (180deg=-0.12) USER MOD Single : A 64 MET CE :methyl -115:sc= -0.248 (180deg=-6.68!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0683 USER MOD Single : A 69 SER OG : rot 157:sc= -0.891 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.936 K(o=0.94,f=-8.3!) USER MOD Single : A 87 SER OG : rot -170:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0263 K(o=-0.026,f=-0.74) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -1.73! C(o=-1.7!,f=-6.4!) USER MOD Single : A 102 SER OG : rot -148:sc= 0.54 USER MOD Single : A 108 MET CE :methyl -158:sc= -0.0896 (180deg=-0.578) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 100:sc= -0.662 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot -32:sc= 0.548 USER MOD Single : A 125 GLN : amide:sc= -5.76! C(o=-5.8!,f=-1.7!) USER MOD Single : A 128 CYS SG : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot 81:sc= 1.11 USER MOD Single : A 136 GLN : amide:sc= -0.044 X(o=-0.044,f=-0.067) USER MOD Single : A 137 MET CE :methyl 139:sc= -1.47 (180deg=-3.98!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.359 -21.387 7.000 1.00 0.00 N ATOM 2 CA GLY A 1 4.589 -20.380 5.937 1.00 0.00 C ATOM 3 C GLY A 1 3.594 -19.240 6.007 1.00 0.00 C ATOM 4 O GLY A 1 2.825 -19.017 5.065 1.00 0.00 O ATOM 0 H1 GLY A 1 5.062 -22.149 6.915 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.450 -20.935 7.932 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.403 -21.785 6.900 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.600 -19.984 6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.520 -20.861 4.961 1.00 0.00 H new ATOM 10 N ASP A 2 3.597 -18.518 7.126 1.00 0.00 N ATOM 11 CA ASP A 2 2.688 -17.392 7.324 1.00 0.00 C ATOM 12 C ASP A 2 3.485 -16.095 7.375 1.00 0.00 C ATOM 13 O ASP A 2 4.201 -15.829 8.346 1.00 0.00 O ATOM 14 CB ASP A 2 1.869 -17.557 8.615 1.00 0.00 C ATOM 15 CG ASP A 2 1.022 -18.823 8.629 1.00 0.00 C ATOM 16 OD1 ASP A 2 0.139 -18.967 7.758 1.00 0.00 O ATOM 17 OD2 ASP A 2 1.231 -19.681 9.515 1.00 0.00 O ATOM 0 H ASP A 2 4.222 -18.694 7.912 1.00 0.00 H new ATOM 0 HA ASP A 2 1.992 -17.362 6.486 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.547 -17.571 9.469 1.00 0.00 H new ATOM 0 HB3 ASP A 2 1.219 -16.691 8.739 1.00 0.00 H new ATOM 22 N ILE A 3 3.360 -15.295 6.325 1.00 0.00 N ATOM 23 CA ILE A 3 4.111 -14.047 6.199 1.00 0.00 C ATOM 24 C ILE A 3 3.485 -12.936 7.055 1.00 0.00 C ATOM 25 O ILE A 3 4.012 -11.825 7.145 1.00 0.00 O ATOM 26 CB ILE A 3 4.182 -13.604 4.711 1.00 0.00 C ATOM 27 CG1 ILE A 3 5.125 -12.397 4.538 1.00 0.00 C ATOM 28 CG2 ILE A 3 2.785 -13.289 4.179 1.00 0.00 C ATOM 29 CD1 ILE A 3 5.302 -11.957 3.100 1.00 0.00 C ATOM 0 H ILE A 3 2.740 -15.488 5.539 1.00 0.00 H new ATOM 0 HA ILE A 3 5.123 -14.226 6.562 1.00 0.00 H new ATOM 0 HB ILE A 3 4.590 -14.430 4.128 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.738 -11.560 5.119 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.101 -12.649 4.953 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.854 -12.981 3.136 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.158 -14.178 4.254 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.345 -12.484 4.767 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.979 -11.104 3.061 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.719 -12.778 2.517 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.335 -11.672 2.685 1.00 0.00 H new ATOM 41 N ARG A 4 2.366 -13.256 7.704 1.00 0.00 N ATOM 42 CA ARG A 4 1.641 -12.288 8.529 1.00 0.00 C ATOM 43 C ARG A 4 2.553 -11.705 9.614 1.00 0.00 C ATOM 44 O ARG A 4 2.489 -10.514 9.907 1.00 0.00 O ATOM 45 CB ARG A 4 0.412 -12.947 9.167 1.00 0.00 C ATOM 46 CG ARG A 4 -0.530 -13.606 8.161 1.00 0.00 C ATOM 47 CD ARG A 4 -1.695 -14.310 8.848 1.00 0.00 C ATOM 48 NE ARG A 4 -1.235 -15.272 9.857 1.00 0.00 N ATOM 49 CZ ARG A 4 -1.646 -16.539 9.941 1.00 0.00 C ATOM 50 NH1 ARG A 4 -2.538 -17.020 9.082 1.00 0.00 N ATOM 51 NH2 ARG A 4 -1.166 -17.317 10.901 1.00 0.00 N ATOM 0 H ARG A 4 1.940 -14.182 7.674 1.00 0.00 H new ATOM 0 HA ARG A 4 1.310 -11.473 7.886 1.00 0.00 H new ATOM 0 HB2 ARG A 4 0.745 -13.698 9.883 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.141 -12.194 9.729 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.915 -12.851 7.476 1.00 0.00 H new ATOM 0 HG3 ARG A 4 0.026 -14.326 7.561 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.340 -13.569 9.320 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.298 -14.827 8.102 1.00 0.00 H new ATOM 0 HE ARG A 4 -0.553 -14.949 10.543 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.916 -16.419 8.349 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -2.845 -17.990 9.155 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -0.489 -16.946 11.567 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -1.474 -18.287 10.973 1.00 0.00 H new ATOM 65 N ASP A 5 3.408 -12.552 10.190 1.00 0.00 N ATOM 66 CA ASP A 5 4.377 -12.116 11.206 1.00 0.00 C ATOM 67 C ASP A 5 5.274 -11.016 10.638 1.00 0.00 C ATOM 68 O ASP A 5 5.461 -9.954 11.255 1.00 0.00 O ATOM 69 CB ASP A 5 5.231 -13.307 11.668 1.00 0.00 C ATOM 70 CG ASP A 5 6.222 -12.946 12.769 1.00 0.00 C ATOM 71 OD1 ASP A 5 7.352 -12.511 12.451 1.00 0.00 O ATOM 72 OD2 ASP A 5 5.888 -13.117 13.959 1.00 0.00 O ATOM 0 H ASP A 5 3.452 -13.547 9.972 1.00 0.00 H new ATOM 0 HA ASP A 5 3.833 -11.720 12.063 1.00 0.00 H new ATOM 0 HB2 ASP A 5 4.574 -14.100 12.026 1.00 0.00 H new ATOM 0 HB3 ASP A 5 5.777 -13.707 10.814 1.00 0.00 H new ATOM 77 N TYR A 6 5.819 -11.276 9.447 1.00 0.00 N ATOM 78 CA TYR A 6 6.597 -10.282 8.721 1.00 0.00 C ATOM 79 C TYR A 6 5.771 -9.017 8.525 1.00 0.00 C ATOM 80 O TYR A 6 6.264 -7.910 8.718 1.00 0.00 O ATOM 81 CB TYR A 6 7.048 -10.830 7.353 1.00 0.00 C ATOM 82 CG TYR A 6 7.708 -9.786 6.460 1.00 0.00 C ATOM 83 CD1 TYR A 6 6.939 -8.922 5.681 1.00 0.00 C ATOM 84 CD2 TYR A 6 9.092 -9.650 6.409 1.00 0.00 C ATOM 85 CE1 TYR A 6 7.527 -7.959 4.889 1.00 0.00 C ATOM 86 CE2 TYR A 6 9.686 -8.690 5.611 1.00 0.00 C ATOM 87 CZ TYR A 6 8.899 -7.847 4.855 1.00 0.00 C ATOM 88 OH TYR A 6 9.484 -6.880 4.073 1.00 0.00 O ATOM 0 H TYR A 6 5.732 -12.172 8.967 1.00 0.00 H new ATOM 0 HA TYR A 6 7.485 -10.047 9.308 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.746 -11.651 7.513 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.183 -11.244 6.835 1.00 0.00 H new ATOM 0 HD1 TYR A 6 5.863 -9.009 5.699 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.712 -10.305 7.003 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.914 -7.295 4.298 1.00 0.00 H new ATOM 0 HE2 TYR A 6 10.762 -8.601 5.580 1.00 0.00 H new ATOM 0 HH TYR A 6 9.758 -6.126 4.636 1.00 0.00 H new ATOM 98 N ASN A 7 4.502 -9.201 8.160 1.00 0.00 N ATOM 99 CA ASN A 7 3.613 -8.075 7.880 1.00 0.00 C ATOM 100 C ASN A 7 3.510 -7.172 9.101 1.00 0.00 C ATOM 101 O ASN A 7 3.754 -5.969 9.010 1.00 0.00 O ATOM 102 CB ASN A 7 2.214 -8.560 7.470 1.00 0.00 C ATOM 103 CG ASN A 7 2.127 -9.057 6.033 1.00 0.00 C ATOM 104 OD1 ASN A 7 1.095 -8.895 5.387 1.00 0.00 O ATOM 105 ND2 ASN A 7 3.180 -9.678 5.524 1.00 0.00 N ATOM 0 H ASN A 7 4.068 -10.118 8.052 1.00 0.00 H new ATOM 0 HA ASN A 7 4.036 -7.511 7.049 1.00 0.00 H new ATOM 0 HB2 ASN A 7 1.908 -9.363 8.140 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.504 -7.744 7.605 1.00 0.00 H new ATOM 0 HD21 ASN A 7 3.148 -10.037 4.570 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.023 -9.797 6.086 1.00 0.00 H new ATOM 112 N ASP A 8 3.167 -7.769 10.243 1.00 0.00 N ATOM 113 CA ASP A 8 3.050 -7.030 11.499 1.00 0.00 C ATOM 114 C ASP A 8 4.322 -6.238 11.763 1.00 0.00 C ATOM 115 O ASP A 8 4.299 -5.004 11.807 1.00 0.00 O ATOM 116 CB ASP A 8 2.778 -7.979 12.682 1.00 0.00 C ATOM 117 CG ASP A 8 1.387 -8.592 12.662 1.00 0.00 C ATOM 118 OD1 ASP A 8 0.402 -7.854 12.884 1.00 0.00 O ATOM 119 OD2 ASP A 8 1.266 -9.818 12.443 1.00 0.00 O ATOM 0 H ASP A 8 2.965 -8.766 10.323 1.00 0.00 H new ATOM 0 HA ASP A 8 2.207 -6.345 11.405 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.519 -8.779 12.673 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.911 -7.431 13.615 1.00 0.00 H new ATOM 124 N ALA A 9 5.435 -6.955 11.899 1.00 0.00 N ATOM 125 CA ALA A 9 6.710 -6.338 12.257 1.00 0.00 C ATOM 126 C ALA A 9 7.113 -5.257 11.250 1.00 0.00 C ATOM 127 O ALA A 9 7.230 -4.080 11.599 1.00 0.00 O ATOM 128 CB ALA A 9 7.797 -7.401 12.362 1.00 0.00 C ATOM 0 H ALA A 9 5.480 -7.965 11.766 1.00 0.00 H new ATOM 0 HA ALA A 9 6.589 -5.856 13.227 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.743 -6.929 12.629 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.524 -8.126 13.128 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.903 -7.909 11.403 1.00 0.00 H new ATOM 134 N ASP A 10 7.297 -5.670 10.002 1.00 0.00 N ATOM 135 CA ASP A 10 7.793 -4.790 8.941 1.00 0.00 C ATOM 136 C ASP A 10 6.885 -3.571 8.768 1.00 0.00 C ATOM 137 O ASP A 10 7.315 -2.427 8.972 1.00 0.00 O ATOM 138 CB ASP A 10 7.889 -5.579 7.623 1.00 0.00 C ATOM 139 CG ASP A 10 8.550 -4.806 6.488 1.00 0.00 C ATOM 140 OD1 ASP A 10 7.834 -4.118 5.734 1.00 0.00 O ATOM 141 OD2 ASP A 10 9.785 -4.927 6.320 1.00 0.00 O ATOM 0 H ASP A 10 7.108 -6.623 9.693 1.00 0.00 H new ATOM 0 HA ASP A 10 8.783 -4.430 9.220 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.450 -6.496 7.800 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.886 -5.874 7.313 1.00 0.00 H new ATOM 146 N MET A 11 5.616 -3.824 8.444 1.00 0.00 N ATOM 147 CA MET A 11 4.669 -2.754 8.133 1.00 0.00 C ATOM 148 C MET A 11 4.516 -1.793 9.308 1.00 0.00 C ATOM 149 O MET A 11 4.667 -0.582 9.150 1.00 0.00 O ATOM 150 CB MET A 11 3.297 -3.326 7.749 1.00 0.00 C ATOM 151 CG MET A 11 3.303 -4.122 6.451 1.00 0.00 C ATOM 152 SD MET A 11 3.610 -3.092 5.002 1.00 0.00 S ATOM 153 CE MET A 11 3.657 -4.336 3.713 1.00 0.00 C ATOM 0 H MET A 11 5.220 -4.763 8.390 1.00 0.00 H new ATOM 0 HA MET A 11 5.071 -2.203 7.283 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.943 -3.968 8.556 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.585 -2.506 7.658 1.00 0.00 H new ATOM 0 HG2 MET A 11 4.067 -4.897 6.509 1.00 0.00 H new ATOM 0 HG3 MET A 11 2.344 -4.628 6.335 1.00 0.00 H new ATOM 0 HE1 MET A 11 3.607 -3.852 2.738 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.584 -4.904 3.789 1.00 0.00 H new ATOM 0 HE3 MET A 11 2.808 -5.010 3.827 1.00 0.00 H new ATOM 163 N ALA A 12 4.233 -2.331 10.492 1.00 0.00 N ATOM 164 CA ALA A 12 3.973 -1.494 11.662 1.00 0.00 C ATOM 165 C ALA A 12 5.187 -0.631 12.001 1.00 0.00 C ATOM 166 O ALA A 12 5.063 0.577 12.214 1.00 0.00 O ATOM 167 CB ALA A 12 3.573 -2.347 12.861 1.00 0.00 C ATOM 0 H ALA A 12 4.178 -3.334 10.667 1.00 0.00 H new ATOM 0 HA ALA A 12 3.143 -0.831 11.419 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.385 -1.702 13.720 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.669 -2.908 12.623 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.379 -3.041 13.099 1.00 0.00 H new ATOM 173 N ARG A 13 6.363 -1.251 12.017 1.00 0.00 N ATOM 174 CA ARG A 13 7.584 -0.570 12.436 1.00 0.00 C ATOM 175 C ARG A 13 8.052 0.446 11.394 1.00 0.00 C ATOM 176 O ARG A 13 8.768 1.393 11.727 1.00 0.00 O ATOM 177 CB ARG A 13 8.686 -1.592 12.738 1.00 0.00 C ATOM 178 CG ARG A 13 8.345 -2.490 13.923 1.00 0.00 C ATOM 179 CD ARG A 13 9.395 -3.564 14.166 1.00 0.00 C ATOM 180 NE ARG A 13 9.012 -4.442 15.274 1.00 0.00 N ATOM 181 CZ ARG A 13 9.433 -5.698 15.416 1.00 0.00 C ATOM 182 NH1 ARG A 13 10.298 -6.213 14.549 1.00 0.00 N ATOM 183 NH2 ARG A 13 8.999 -6.432 16.433 1.00 0.00 N ATOM 0 H ARG A 13 6.497 -2.225 11.744 1.00 0.00 H new ATOM 0 HA ARG A 13 7.361 -0.016 13.348 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.855 -2.210 11.856 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.618 -1.066 12.942 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.242 -1.879 14.819 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.379 -2.964 13.748 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.530 -4.155 13.260 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.354 -3.095 14.386 1.00 0.00 H new ATOM 0 HE ARG A 13 8.382 -4.067 15.983 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.641 -5.647 13.773 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.619 -7.175 14.659 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.343 -6.034 17.106 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.321 -7.394 16.542 1.00 0.00 H new ATOM 197 N LEU A 14 7.656 0.249 10.137 1.00 0.00 N ATOM 198 CA LEU A 14 7.966 1.209 9.080 1.00 0.00 C ATOM 199 C LEU A 14 6.985 2.386 9.115 1.00 0.00 C ATOM 200 O LEU A 14 7.392 3.550 9.184 1.00 0.00 O ATOM 201 CB LEU A 14 7.929 0.525 7.704 1.00 0.00 C ATOM 202 CG LEU A 14 8.226 1.439 6.499 1.00 0.00 C ATOM 203 CD1 LEU A 14 9.610 2.079 6.622 1.00 0.00 C ATOM 204 CD2 LEU A 14 8.106 0.659 5.191 1.00 0.00 C ATOM 0 H LEU A 14 7.122 -0.563 9.827 1.00 0.00 H new ATOM 0 HA LEU A 14 8.972 1.592 9.251 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.651 -0.292 7.704 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.944 0.080 7.566 1.00 0.00 H new ATOM 0 HG LEU A 14 7.486 2.239 6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.793 2.719 5.759 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.655 2.677 7.532 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.370 1.298 6.663 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.319 1.321 4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.819 -0.166 5.193 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.095 0.265 5.094 1.00 0.00 H new ATOM 216 N LEU A 15 5.691 2.074 9.102 1.00 0.00 N ATOM 217 CA LEU A 15 4.641 3.096 9.071 1.00 0.00 C ATOM 218 C LEU A 15 4.593 3.886 10.376 1.00 0.00 C ATOM 219 O LEU A 15 4.073 5.003 10.410 1.00 0.00 O ATOM 220 CB LEU A 15 3.272 2.460 8.773 1.00 0.00 C ATOM 221 CG LEU A 15 3.002 2.140 7.291 1.00 0.00 C ATOM 222 CD1 LEU A 15 3.015 3.417 6.457 1.00 0.00 C ATOM 223 CD2 LEU A 15 4.015 1.134 6.749 1.00 0.00 C ATOM 0 H LEU A 15 5.340 1.116 9.112 1.00 0.00 H new ATOM 0 HA LEU A 15 4.882 3.793 8.269 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.186 1.538 9.348 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.492 3.133 9.130 1.00 0.00 H new ATOM 0 HG LEU A 15 2.012 1.689 7.220 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.822 3.171 5.413 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.242 4.096 6.819 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.989 3.898 6.543 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.798 0.928 5.701 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.020 1.546 6.838 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.951 0.209 7.321 1.00 0.00 H new ATOM 235 N GLU A 16 5.146 3.305 11.437 1.00 0.00 N ATOM 236 CA GLU A 16 5.267 3.986 12.724 1.00 0.00 C ATOM 237 C GLU A 16 5.863 5.384 12.520 1.00 0.00 C ATOM 238 O GLU A 16 5.448 6.363 13.154 1.00 0.00 O ATOM 239 CB GLU A 16 6.166 3.161 13.659 1.00 0.00 C ATOM 240 CG GLU A 16 6.176 3.636 15.108 1.00 0.00 C ATOM 241 CD GLU A 16 4.898 3.287 15.855 1.00 0.00 C ATOM 242 OE1 GLU A 16 3.946 4.087 15.823 1.00 0.00 O ATOM 243 OE2 GLU A 16 4.855 2.214 16.502 1.00 0.00 O ATOM 0 H GLU A 16 5.520 2.356 11.431 1.00 0.00 H new ATOM 0 HA GLU A 16 4.279 4.087 13.174 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.839 2.122 13.633 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.186 3.184 13.275 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.026 3.191 15.625 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.320 4.716 15.130 1.00 0.00 H new ATOM 250 N GLN A 17 6.821 5.465 11.596 1.00 0.00 N ATOM 251 CA GLN A 17 7.494 6.717 11.279 1.00 0.00 C ATOM 252 C GLN A 17 6.544 7.687 10.575 1.00 0.00 C ATOM 253 O GLN A 17 6.506 8.870 10.903 1.00 0.00 O ATOM 254 CB GLN A 17 8.728 6.450 10.407 1.00 0.00 C ATOM 255 CG GLN A 17 9.472 7.712 9.986 1.00 0.00 C ATOM 256 CD GLN A 17 10.790 7.409 9.298 1.00 0.00 C ATOM 257 OE1 GLN A 17 11.837 7.336 9.944 1.00 0.00 O ATOM 258 NE2 GLN A 17 10.747 7.221 7.987 1.00 0.00 N ATOM 0 H GLN A 17 7.148 4.667 11.051 1.00 0.00 H new ATOM 0 HA GLN A 17 7.816 7.177 12.213 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.413 5.801 10.953 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.419 5.907 9.514 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.841 8.295 9.315 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.658 8.330 10.864 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.859 7.291 7.491 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.602 7.007 7.474 1.00 0.00 H new ATOM 267 N TRP A 18 5.768 7.177 9.620 1.00 0.00 N ATOM 268 CA TRP A 18 4.811 8.007 8.886 1.00 0.00 C ATOM 269 C TRP A 18 3.806 8.645 9.841 1.00 0.00 C ATOM 270 O TRP A 18 3.471 9.832 9.713 1.00 0.00 O ATOM 271 CB TRP A 18 4.087 7.177 7.813 1.00 0.00 C ATOM 272 CG TRP A 18 4.827 7.111 6.505 1.00 0.00 C ATOM 273 CD1 TRP A 18 5.975 6.418 6.231 1.00 0.00 C ATOM 274 CD2 TRP A 18 4.458 7.774 5.288 1.00 0.00 C ATOM 275 NE1 TRP A 18 6.341 6.619 4.919 1.00 0.00 N ATOM 276 CE2 TRP A 18 5.423 7.441 4.323 1.00 0.00 C ATOM 277 CE3 TRP A 18 3.405 8.615 4.923 1.00 0.00 C ATOM 278 CZ2 TRP A 18 5.366 7.920 3.018 1.00 0.00 C ATOM 279 CZ3 TRP A 18 3.348 9.090 3.626 1.00 0.00 C ATOM 280 CH2 TRP A 18 4.324 8.740 2.687 1.00 0.00 C ATOM 0 H TRP A 18 5.782 6.197 9.336 1.00 0.00 H new ATOM 0 HA TRP A 18 5.362 8.805 8.389 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.937 6.165 8.188 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.099 7.603 7.641 1.00 0.00 H new ATOM 0 HD1 TRP A 18 6.514 5.805 6.938 1.00 0.00 H new ATOM 0 HE1 TRP A 18 7.163 6.220 4.465 1.00 0.00 H new ATOM 0 HE3 TRP A 18 2.648 8.890 5.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.119 7.653 2.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.538 9.741 3.333 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.253 9.125 1.681 1.00 0.00 H new ATOM 291 N GLU A 19 3.339 7.862 10.810 1.00 0.00 N ATOM 292 CA GLU A 19 2.445 8.375 11.840 1.00 0.00 C ATOM 293 C GLU A 19 3.161 9.466 12.629 1.00 0.00 C ATOM 294 O GLU A 19 2.615 10.548 12.864 1.00 0.00 O ATOM 295 CB GLU A 19 1.990 7.250 12.782 1.00 0.00 C ATOM 296 CG GLU A 19 1.390 6.042 12.066 1.00 0.00 C ATOM 297 CD GLU A 19 0.360 6.428 11.013 1.00 0.00 C ATOM 298 OE1 GLU A 19 -0.690 7.008 11.377 1.00 0.00 O ATOM 299 OE2 GLU A 19 0.606 6.182 9.814 1.00 0.00 O ATOM 0 H GLU A 19 3.565 6.872 10.902 1.00 0.00 H new ATOM 0 HA GLU A 19 1.558 8.791 11.362 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.843 6.920 13.375 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.253 7.650 13.478 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.190 5.472 11.593 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.923 5.386 12.800 1.00 0.00 H new ATOM 306 N LYS A 20 4.403 9.169 13.006 1.00 0.00 N ATOM 307 CA LYS A 20 5.254 10.108 13.734 1.00 0.00 C ATOM 308 C LYS A 20 5.402 11.435 12.976 1.00 0.00 C ATOM 309 O LYS A 20 5.358 12.508 13.583 1.00 0.00 O ATOM 310 CB LYS A 20 6.624 9.443 14.024 1.00 0.00 C ATOM 311 CG LYS A 20 7.835 10.387 14.073 1.00 0.00 C ATOM 312 CD LYS A 20 8.494 10.533 12.698 1.00 0.00 C ATOM 313 CE LYS A 20 9.710 11.449 12.728 1.00 0.00 C ATOM 314 NZ LYS A 20 10.292 11.641 11.371 1.00 0.00 N ATOM 0 H LYS A 20 4.848 8.271 12.816 1.00 0.00 H new ATOM 0 HA LYS A 20 4.783 10.353 14.686 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.557 8.921 14.978 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.808 8.688 13.260 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.519 11.367 14.431 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.565 10.007 14.788 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.793 9.549 12.336 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.765 10.926 11.989 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.426 12.417 13.142 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.466 11.028 13.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.285 11.937 11.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.242 10.747 10.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.756 12.374 10.864 1.00 0.00 H new ATOM 328 N ASP A 21 5.557 11.365 11.654 1.00 0.00 N ATOM 329 CA ASP A 21 5.754 12.569 10.841 1.00 0.00 C ATOM 330 C ASP A 21 4.481 13.400 10.746 1.00 0.00 C ATOM 331 O ASP A 21 4.526 14.623 10.894 1.00 0.00 O ATOM 332 CB ASP A 21 6.272 12.218 9.435 1.00 0.00 C ATOM 333 CG ASP A 21 7.774 11.971 9.423 1.00 0.00 C ATOM 334 OD1 ASP A 21 8.543 12.947 9.556 1.00 0.00 O ATOM 335 OD2 ASP A 21 8.200 10.805 9.303 1.00 0.00 O ATOM 0 H ASP A 21 5.550 10.494 11.124 1.00 0.00 H new ATOM 0 HA ASP A 21 6.511 13.171 11.344 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.756 11.330 9.070 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.033 13.030 8.748 1.00 0.00 H new ATOM 340 N ASP A 22 3.345 12.747 10.509 1.00 0.00 N ATOM 341 CA ASP A 22 2.060 13.456 10.437 1.00 0.00 C ATOM 342 C ASP A 22 1.742 14.097 11.797 1.00 0.00 C ATOM 343 O ASP A 22 1.129 15.171 11.872 1.00 0.00 O ATOM 344 CB ASP A 22 0.936 12.507 9.984 1.00 0.00 C ATOM 345 CG ASP A 22 -0.417 13.201 9.816 1.00 0.00 C ATOM 346 OD1 ASP A 22 -0.630 13.869 8.778 1.00 0.00 O ATOM 347 OD2 ASP A 22 -1.284 13.054 10.704 1.00 0.00 O ATOM 0 H ASP A 22 3.283 11.739 10.364 1.00 0.00 H new ATOM 0 HA ASP A 22 2.133 14.249 9.693 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.219 12.047 9.038 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.835 11.702 10.712 1.00 0.00 H new ATOM 352 N ASP A 23 2.195 13.448 12.875 1.00 0.00 N ATOM 353 CA ASP A 23 2.075 14.012 14.224 1.00 0.00 C ATOM 354 C ASP A 23 2.943 15.262 14.368 1.00 0.00 C ATOM 355 O ASP A 23 2.500 16.278 14.907 1.00 0.00 O ATOM 356 CB ASP A 23 2.462 12.986 15.303 1.00 0.00 C ATOM 357 CG ASP A 23 1.309 12.084 15.713 1.00 0.00 C ATOM 358 OD1 ASP A 23 0.291 12.610 16.215 1.00 0.00 O ATOM 359 OD2 ASP A 23 1.418 10.848 15.567 1.00 0.00 O ATOM 0 H ASP A 23 2.647 12.534 12.840 1.00 0.00 H new ATOM 0 HA ASP A 23 1.029 14.283 14.368 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.282 12.371 14.933 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.832 13.514 16.182 1.00 0.00 H new ATOM 364 N ILE A 24 4.182 15.187 13.882 1.00 0.00 N ATOM 365 CA ILE A 24 5.082 16.340 13.909 1.00 0.00 C ATOM 366 C ILE A 24 4.487 17.483 13.090 1.00 0.00 C ATOM 367 O ILE A 24 4.640 18.659 13.437 1.00 0.00 O ATOM 368 CB ILE A 24 6.495 15.987 13.371 1.00 0.00 C ATOM 369 CG1 ILE A 24 7.175 14.960 14.291 1.00 0.00 C ATOM 370 CG2 ILE A 24 7.359 17.243 13.233 1.00 0.00 C ATOM 371 CD1 ILE A 24 8.584 14.592 13.870 1.00 0.00 C ATOM 0 H ILE A 24 4.583 14.346 13.467 1.00 0.00 H new ATOM 0 HA ILE A 24 5.191 16.648 14.949 1.00 0.00 H new ATOM 0 HB ILE A 24 6.383 15.547 12.380 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.202 15.358 15.305 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.568 14.055 14.320 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.343 16.968 12.854 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.884 17.937 12.539 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.465 17.720 14.207 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.994 13.863 14.569 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.564 14.162 12.868 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.208 15.485 13.869 1.00 0.00 H new ATOM 383 N GLU A 25 3.786 17.129 12.019 1.00 0.00 N ATOM 384 CA GLU A 25 3.109 18.110 11.182 1.00 0.00 C ATOM 385 C GLU A 25 1.932 18.727 11.945 1.00 0.00 C ATOM 386 O GLU A 25 1.583 19.891 11.740 1.00 0.00 O ATOM 387 CB GLU A 25 2.641 17.464 9.871 1.00 0.00 C ATOM 388 CG GLU A 25 2.111 18.462 8.848 1.00 0.00 C ATOM 389 CD GLU A 25 3.123 19.541 8.486 1.00 0.00 C ATOM 390 OE1 GLU A 25 4.218 19.199 7.998 1.00 0.00 O ATOM 391 OE2 GLU A 25 2.816 20.739 8.671 1.00 0.00 O ATOM 0 H GLU A 25 3.672 16.164 11.709 1.00 0.00 H new ATOM 0 HA GLU A 25 3.809 18.907 10.931 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.473 16.914 9.431 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.860 16.737 10.094 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.820 17.927 7.944 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.211 18.934 9.242 1.00 0.00 H new ATOM 398 N GLU A 26 1.322 17.938 12.831 1.00 0.00 N ATOM 399 CA GLU A 26 0.318 18.463 13.763 1.00 0.00 C ATOM 400 C GLU A 26 0.969 19.460 14.732 1.00 0.00 C ATOM 401 O GLU A 26 0.294 20.288 15.347 1.00 0.00 O ATOM 402 CB GLU A 26 -0.350 17.316 14.543 1.00 0.00 C ATOM 403 CG GLU A 26 -1.368 17.767 15.595 1.00 0.00 C ATOM 404 CD GLU A 26 -2.580 18.474 14.999 1.00 0.00 C ATOM 405 OE1 GLU A 26 -2.513 19.697 14.758 1.00 0.00 O ATOM 406 OE2 GLU A 26 -3.609 17.805 14.767 1.00 0.00 O ATOM 0 H GLU A 26 1.503 16.939 12.924 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.451 18.980 13.190 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.849 16.655 13.834 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.426 16.729 15.035 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.705 16.898 16.160 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.877 18.436 16.302 1.00 0.00 H new ATOM 413 N GLY A 27 2.293 19.400 14.824 1.00 0.00 N ATOM 414 CA GLY A 27 3.030 20.266 15.727 1.00 0.00 C ATOM 415 C GLY A 27 3.221 19.641 17.091 1.00 0.00 C ATOM 416 O GLY A 27 3.306 20.344 18.100 1.00 0.00 O ATOM 0 H GLY A 27 2.875 18.760 14.283 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.004 20.494 15.294 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.499 21.212 15.834 1.00 0.00 H new ATOM 420 N ASP A 28 3.282 18.313 17.123 1.00 0.00 N ATOM 421 CA ASP A 28 3.509 17.576 18.362 1.00 0.00 C ATOM 422 C ASP A 28 4.508 16.450 18.133 1.00 0.00 C ATOM 423 O ASP A 28 4.332 15.635 17.228 1.00 0.00 O ATOM 424 CB ASP A 28 2.191 16.995 18.906 1.00 0.00 C ATOM 425 CG ASP A 28 1.266 18.056 19.486 1.00 0.00 C ATOM 426 OD1 ASP A 28 1.518 18.509 20.625 1.00 0.00 O ATOM 427 OD2 ASP A 28 0.284 18.439 18.818 1.00 0.00 O ATOM 0 H ASP A 28 3.177 17.722 16.299 1.00 0.00 H new ATOM 0 HA ASP A 28 3.913 18.272 19.097 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.674 16.470 18.103 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.416 16.257 19.676 1.00 0.00 H new ATOM 432 N LEU A 29 5.564 16.423 18.942 1.00 0.00 N ATOM 433 CA LEU A 29 6.551 15.349 18.892 1.00 0.00 C ATOM 434 C LEU A 29 5.981 14.113 19.594 1.00 0.00 C ATOM 435 O LEU A 29 5.855 14.093 20.821 1.00 0.00 O ATOM 436 CB LEU A 29 7.878 15.779 19.551 1.00 0.00 C ATOM 437 CG LEU A 29 8.653 16.914 18.848 1.00 0.00 C ATOM 438 CD1 LEU A 29 8.887 16.581 17.375 1.00 0.00 C ATOM 439 CD2 LEU A 29 7.935 18.256 18.998 1.00 0.00 C ATOM 0 H LEU A 29 5.758 17.137 19.644 1.00 0.00 H new ATOM 0 HA LEU A 29 6.764 15.114 17.849 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.667 16.091 20.574 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.529 14.907 19.612 1.00 0.00 H new ATOM 0 HG LEU A 29 9.624 17.004 19.335 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.435 17.395 16.900 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.466 15.661 17.298 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.928 16.449 16.875 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.507 19.033 18.492 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.942 18.189 18.554 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.843 18.503 20.056 1.00 0.00 H new ATOM 451 N LEU A 62 -5.114 8.231 4.136 1.00 0.00 N ATOM 452 CA LEU A 62 -5.260 7.054 3.284 1.00 0.00 C ATOM 453 C LEU A 62 -3.959 6.250 3.231 1.00 0.00 C ATOM 454 O LEU A 62 -2.944 6.712 2.703 1.00 0.00 O ATOM 455 CB LEU A 62 -5.708 7.469 1.870 1.00 0.00 C ATOM 456 CG LEU A 62 -6.466 6.393 1.059 1.00 0.00 C ATOM 457 CD1 LEU A 62 -5.571 5.199 0.724 1.00 0.00 C ATOM 458 CD2 LEU A 62 -7.712 5.933 1.817 1.00 0.00 C ATOM 0 HA LEU A 62 -6.029 6.413 3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.346 8.348 1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.826 7.769 1.304 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.773 6.847 0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.141 4.466 0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.720 5.537 0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.213 4.742 1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.234 5.176 1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.418 5.511 2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.373 6.784 1.981 1.00 0.00 H new ATOM 470 N MET A 63 -4.009 5.043 3.786 1.00 0.00 N ATOM 471 CA MET A 63 -2.889 4.109 3.747 1.00 0.00 C ATOM 472 C MET A 63 -3.420 2.676 3.636 1.00 0.00 C ATOM 473 O MET A 63 -4.126 2.186 4.524 1.00 0.00 O ATOM 474 CB MET A 63 -1.997 4.296 4.990 1.00 0.00 C ATOM 475 CG MET A 63 -2.765 4.347 6.307 1.00 0.00 C ATOM 476 SD MET A 63 -1.754 4.918 7.690 1.00 0.00 S ATOM 477 CE MET A 63 -0.524 3.617 7.790 1.00 0.00 C ATOM 0 H MET A 63 -4.829 4.685 4.276 1.00 0.00 H new ATOM 0 HA MET A 63 -2.272 4.309 2.871 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.277 3.479 5.033 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.426 5.218 4.879 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.624 5.008 6.195 1.00 0.00 H new ATOM 0 HG3 MET A 63 -3.154 3.354 6.534 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.160 3.825 8.613 1.00 0.00 H new ATOM 0 HE2 MET A 63 -1.019 2.661 7.962 1.00 0.00 H new ATOM 0 HE3 MET A 63 0.035 3.573 6.856 1.00 0.00 H new ATOM 487 N MET A 64 -3.106 2.019 2.520 1.00 0.00 N ATOM 488 CA MET A 64 -3.639 0.686 2.229 1.00 0.00 C ATOM 489 C MET A 64 -2.522 -0.342 2.070 1.00 0.00 C ATOM 490 O MET A 64 -1.444 -0.033 1.555 1.00 0.00 O ATOM 491 CB MET A 64 -4.495 0.719 0.952 1.00 0.00 C ATOM 492 CG MET A 64 -5.772 1.544 1.074 1.00 0.00 C ATOM 493 SD MET A 64 -6.759 1.517 -0.439 1.00 0.00 S ATOM 494 CE MET A 64 -8.155 2.540 0.031 1.00 0.00 C ATOM 0 H MET A 64 -2.484 2.388 1.801 1.00 0.00 H new ATOM 0 HA MET A 64 -4.259 0.389 3.075 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.894 1.120 0.136 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.761 -0.303 0.680 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.370 1.162 1.901 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.513 2.575 1.317 1.00 0.00 H new ATOM 0 HE1 MET A 64 -9.062 1.936 0.040 1.00 0.00 H new ATOM 0 HE2 MET A 64 -7.985 2.953 1.025 1.00 0.00 H new ATOM 0 HE3 MET A 64 -8.268 3.353 -0.686 1.00 0.00 H new ATOM 504 N PHE A 65 -2.799 -1.564 2.520 1.00 0.00 N ATOM 505 CA PHE A 65 -1.870 -2.690 2.401 1.00 0.00 C ATOM 506 C PHE A 65 -2.567 -3.833 1.662 1.00 0.00 C ATOM 507 O PHE A 65 -3.365 -4.561 2.251 1.00 0.00 O ATOM 508 CB PHE A 65 -1.424 -3.165 3.793 1.00 0.00 C ATOM 509 CG PHE A 65 -0.899 -2.067 4.685 1.00 0.00 C ATOM 510 CD1 PHE A 65 -1.767 -1.322 5.475 1.00 0.00 C ATOM 511 CD2 PHE A 65 0.457 -1.779 4.735 1.00 0.00 C ATOM 512 CE1 PHE A 65 -1.289 -0.315 6.293 1.00 0.00 C ATOM 513 CE2 PHE A 65 0.936 -0.772 5.552 1.00 0.00 C ATOM 514 CZ PHE A 65 0.061 -0.040 6.331 1.00 0.00 C ATOM 0 H PHE A 65 -3.677 -1.804 2.980 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.988 -2.373 1.845 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.268 -3.646 4.287 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.649 -3.923 3.675 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.826 -1.532 5.450 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.146 -2.348 4.129 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.974 0.256 6.902 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.994 -0.558 5.581 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.434 0.747 6.969 1.00 0.00 H new ATOM 524 N VAL A 66 -2.284 -3.978 0.374 1.00 0.00 N ATOM 525 CA VAL A 66 -3.020 -4.912 -0.475 1.00 0.00 C ATOM 526 C VAL A 66 -2.349 -6.289 -0.525 1.00 0.00 C ATOM 527 O VAL A 66 -1.278 -6.441 -1.107 1.00 0.00 O ATOM 528 CB VAL A 66 -3.139 -4.363 -1.920 1.00 0.00 C ATOM 529 CG1 VAL A 66 -4.110 -5.204 -2.747 1.00 0.00 C ATOM 530 CG2 VAL A 66 -3.554 -2.892 -1.904 1.00 0.00 C ATOM 0 H VAL A 66 -1.549 -3.461 -0.108 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.011 -5.021 -0.035 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.159 -4.431 -2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.175 -4.797 -3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.753 -6.233 -2.793 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.096 -5.183 -2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.632 -2.525 -2.927 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.519 -2.792 -1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.807 -2.309 -1.365 1.00 0.00 H new ATOM 540 N THR A 67 -2.986 -7.280 0.095 1.00 0.00 N ATOM 541 CA THR A 67 -2.531 -8.665 0.019 1.00 0.00 C ATOM 542 C THR A 67 -2.979 -9.293 -1.302 1.00 0.00 C ATOM 543 O THR A 67 -4.162 -9.595 -1.492 1.00 0.00 O ATOM 544 CB THR A 67 -3.068 -9.507 1.205 1.00 0.00 C ATOM 545 OG1 THR A 67 -2.533 -9.012 2.445 1.00 0.00 O ATOM 546 CG2 THR A 67 -2.711 -10.984 1.048 1.00 0.00 C ATOM 0 H THR A 67 -3.825 -7.147 0.660 1.00 0.00 H new ATOM 0 HA THR A 67 -1.442 -8.659 0.072 1.00 0.00 H new ATOM 0 HB THR A 67 -4.154 -9.416 1.211 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.879 -9.549 3.188 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.103 -11.545 1.896 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.148 -11.368 0.126 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.627 -11.094 1.009 1.00 0.00 H new ATOM 554 N VAL A 68 -2.038 -9.445 -2.229 1.00 0.00 N ATOM 555 CA VAL A 68 -2.328 -10.025 -3.536 1.00 0.00 C ATOM 556 C VAL A 68 -1.871 -11.478 -3.608 1.00 0.00 C ATOM 557 O VAL A 68 -2.670 -12.384 -3.847 1.00 0.00 O ATOM 558 CB VAL A 68 -1.636 -9.234 -4.669 1.00 0.00 C ATOM 559 CG1 VAL A 68 -2.078 -9.747 -6.039 1.00 0.00 C ATOM 560 CG2 VAL A 68 -1.909 -7.741 -4.523 1.00 0.00 C ATOM 0 H VAL A 68 -1.064 -9.173 -2.098 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.409 -9.975 -3.668 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.560 -9.389 -4.590 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.578 -9.175 -6.820 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.815 -10.800 -6.135 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.157 -9.632 -6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.414 -7.200 -5.329 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.983 -7.561 -4.571 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.526 -7.393 -3.564 1.00 0.00 H new ATOM 570 N SER A 69 -0.575 -11.682 -3.389 1.00 0.00 N ATOM 571 CA SER A 69 0.057 -12.974 -3.617 1.00 0.00 C ATOM 572 C SER A 69 -0.468 -14.051 -2.665 1.00 0.00 C ATOM 573 O SER A 69 -1.184 -14.966 -3.077 1.00 0.00 O ATOM 574 CB SER A 69 1.572 -12.835 -3.457 1.00 0.00 C ATOM 575 OG SER A 69 2.047 -11.685 -4.134 1.00 0.00 O ATOM 0 H SER A 69 0.061 -10.960 -3.051 1.00 0.00 H new ATOM 0 HA SER A 69 -0.188 -13.289 -4.631 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.826 -12.770 -2.399 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.066 -13.724 -3.850 1.00 0.00 H new ATOM 0 HG SER A 69 2.898 -11.401 -3.739 1.00 0.00 H new ATOM 581 N GLY A 70 -0.117 -13.928 -1.392 1.00 0.00 N ATOM 582 CA GLY A 70 -0.396 -14.984 -0.430 1.00 0.00 C ATOM 583 C GLY A 70 0.629 -16.103 -0.520 1.00 0.00 C ATOM 584 O GLY A 70 0.525 -17.116 0.170 1.00 0.00 O ATOM 0 H GLY A 70 0.358 -13.113 -1.004 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.396 -14.569 0.578 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.393 -15.387 -0.609 1.00 0.00 H new ATOM 588 N ASN A 71 1.624 -15.899 -1.383 1.00 0.00 N ATOM 589 CA ASN A 71 2.699 -16.865 -1.608 1.00 0.00 C ATOM 590 C ASN A 71 4.049 -16.189 -1.341 1.00 0.00 C ATOM 591 O ASN A 71 4.257 -15.048 -1.756 1.00 0.00 O ATOM 592 CB ASN A 71 2.625 -17.400 -3.051 1.00 0.00 C ATOM 593 CG ASN A 71 3.765 -18.345 -3.402 1.00 0.00 C ATOM 594 OD1 ASN A 71 3.710 -19.540 -3.115 1.00 0.00 O ATOM 595 ND2 ASN A 71 4.796 -17.821 -4.047 1.00 0.00 N ATOM 0 H ASN A 71 1.707 -15.054 -1.949 1.00 0.00 H new ATOM 0 HA ASN A 71 2.590 -17.709 -0.927 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.676 -17.919 -3.191 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.633 -16.559 -3.744 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.579 -18.413 -4.323 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.807 -16.825 -4.268 1.00 0.00 H new ATOM 602 N PRO A 72 4.971 -16.876 -0.630 1.00 0.00 N ATOM 603 CA PRO A 72 6.249 -16.289 -0.179 1.00 0.00 C ATOM 604 C PRO A 72 7.155 -15.795 -1.318 1.00 0.00 C ATOM 605 O PRO A 72 8.058 -14.990 -1.084 1.00 0.00 O ATOM 606 CB PRO A 72 6.928 -17.437 0.591 1.00 0.00 C ATOM 607 CG PRO A 72 5.821 -18.372 0.945 1.00 0.00 C ATOM 608 CD PRO A 72 4.836 -18.279 -0.186 1.00 0.00 C ATOM 0 HA PRO A 72 6.069 -15.394 0.416 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.682 -17.932 -0.022 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.434 -17.069 1.483 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.190 -19.391 1.060 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.359 -18.092 1.891 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.073 -18.980 -0.986 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.821 -18.502 0.143 1.00 0.00 H new ATOM 616 N THR A 73 6.928 -16.271 -2.538 1.00 0.00 N ATOM 617 CA THR A 73 7.766 -15.884 -3.673 1.00 0.00 C ATOM 618 C THR A 73 7.321 -14.525 -4.229 1.00 0.00 C ATOM 619 O THR A 73 6.122 -14.248 -4.315 1.00 0.00 O ATOM 620 CB THR A 73 7.719 -16.956 -4.781 1.00 0.00 C ATOM 621 OG1 THR A 73 7.840 -18.259 -4.193 1.00 0.00 O ATOM 622 CG2 THR A 73 8.842 -16.757 -5.792 1.00 0.00 C ATOM 0 H THR A 73 6.176 -16.921 -2.768 1.00 0.00 H new ATOM 0 HA THR A 73 8.794 -15.799 -3.322 1.00 0.00 H new ATOM 0 HB THR A 73 6.766 -16.863 -5.301 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.808 -18.940 -4.897 1.00 0.00 H new ATOM 0 HG21 THR A 73 8.781 -17.528 -6.560 1.00 0.00 H new ATOM 0 HG22 THR A 73 8.745 -15.775 -6.255 1.00 0.00 H new ATOM 0 HG23 THR A 73 9.804 -16.825 -5.285 1.00 0.00 H new ATOM 630 N GLU A 74 8.289 -13.691 -4.620 1.00 0.00 N ATOM 631 CA GLU A 74 8.015 -12.304 -5.002 1.00 0.00 C ATOM 632 C GLU A 74 7.315 -12.215 -6.361 1.00 0.00 C ATOM 633 O GLU A 74 6.703 -11.194 -6.671 1.00 0.00 O ATOM 634 CB GLU A 74 9.306 -11.467 -5.042 1.00 0.00 C ATOM 635 CG GLU A 74 10.153 -11.531 -3.770 1.00 0.00 C ATOM 636 CD GLU A 74 11.131 -12.697 -3.768 1.00 0.00 C ATOM 637 OE1 GLU A 74 12.271 -12.520 -4.256 1.00 0.00 O ATOM 638 OE2 GLU A 74 10.772 -13.793 -3.281 1.00 0.00 O ATOM 0 H GLU A 74 9.273 -13.954 -4.680 1.00 0.00 H new ATOM 0 HA GLU A 74 7.350 -11.900 -4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.913 -11.802 -5.883 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.042 -10.427 -5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.707 -10.599 -3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.495 -11.614 -2.905 1.00 0.00 H new ATOM 645 N LYS A 75 7.423 -13.287 -7.157 1.00 0.00 N ATOM 646 CA LYS A 75 6.800 -13.370 -8.494 1.00 0.00 C ATOM 647 C LYS A 75 5.485 -12.591 -8.571 1.00 0.00 C ATOM 648 O LYS A 75 5.344 -11.634 -9.337 1.00 0.00 O ATOM 649 CB LYS A 75 6.490 -14.833 -8.842 1.00 0.00 C ATOM 650 CG LYS A 75 7.703 -15.738 -9.018 1.00 0.00 C ATOM 651 CD LYS A 75 7.284 -17.209 -9.078 1.00 0.00 C ATOM 652 CE LYS A 75 6.205 -17.459 -10.133 1.00 0.00 C ATOM 653 NZ LYS A 75 5.642 -18.831 -10.041 1.00 0.00 N ATOM 0 H LYS A 75 7.944 -14.124 -6.896 1.00 0.00 H new ATOM 0 HA LYS A 75 7.514 -12.937 -9.195 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.859 -15.249 -8.056 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.907 -14.853 -9.763 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.233 -15.469 -9.932 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.397 -15.587 -8.191 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.156 -17.825 -9.299 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.914 -17.520 -8.101 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.404 -16.730 -10.012 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.627 -17.306 -11.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.915 -18.958 -10.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.401 -19.528 -10.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.216 -18.969 -9.103 1.00 0.00 H new ATOM 667 N GLU A 76 4.546 -13.014 -7.742 1.00 0.00 N ATOM 668 CA GLU A 76 3.166 -12.556 -7.808 1.00 0.00 C ATOM 669 C GLU A 76 3.056 -11.054 -7.529 1.00 0.00 C ATOM 670 O GLU A 76 2.472 -10.305 -8.322 1.00 0.00 O ATOM 671 CB GLU A 76 2.331 -13.367 -6.809 1.00 0.00 C ATOM 672 CG GLU A 76 2.570 -14.877 -6.884 1.00 0.00 C ATOM 673 CD GLU A 76 2.188 -15.483 -8.229 1.00 0.00 C ATOM 674 OE1 GLU A 76 2.936 -15.304 -9.213 1.00 0.00 O ATOM 675 OE2 GLU A 76 1.129 -16.140 -8.311 1.00 0.00 O ATOM 0 H GLU A 76 4.720 -13.690 -6.998 1.00 0.00 H new ATOM 0 HA GLU A 76 2.785 -12.714 -8.817 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.555 -13.023 -5.799 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.274 -13.167 -6.987 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.623 -15.081 -6.687 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.998 -15.368 -6.097 1.00 0.00 H new ATOM 682 N THR A 77 3.640 -10.616 -6.414 1.00 0.00 N ATOM 683 CA THR A 77 3.563 -9.216 -6.009 1.00 0.00 C ATOM 684 C THR A 77 4.309 -8.320 -7.002 1.00 0.00 C ATOM 685 O THR A 77 3.892 -7.194 -7.266 1.00 0.00 O ATOM 686 CB THR A 77 4.105 -8.996 -4.570 1.00 0.00 C ATOM 687 OG1 THR A 77 3.934 -7.628 -4.172 1.00 0.00 O ATOM 688 CG2 THR A 77 5.578 -9.376 -4.461 1.00 0.00 C ATOM 0 H THR A 77 4.170 -11.211 -5.777 1.00 0.00 H new ATOM 0 HA THR A 77 2.509 -8.940 -6.010 1.00 0.00 H new ATOM 0 HB THR A 77 3.532 -9.643 -3.906 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.279 -7.506 -3.263 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.922 -9.209 -3.440 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.702 -10.428 -4.718 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.164 -8.763 -5.146 1.00 0.00 H new ATOM 696 N GLU A 78 5.397 -8.835 -7.572 1.00 0.00 N ATOM 697 CA GLU A 78 6.178 -8.082 -8.548 1.00 0.00 C ATOM 698 C GLU A 78 5.341 -7.811 -9.793 1.00 0.00 C ATOM 699 O GLU A 78 5.198 -6.663 -10.223 1.00 0.00 O ATOM 700 CB GLU A 78 7.461 -8.839 -8.917 1.00 0.00 C ATOM 701 CG GLU A 78 8.399 -8.051 -9.829 1.00 0.00 C ATOM 702 CD GLU A 78 9.675 -8.806 -10.160 1.00 0.00 C ATOM 703 OE1 GLU A 78 10.584 -8.856 -9.300 1.00 0.00 O ATOM 704 OE2 GLU A 78 9.783 -9.347 -11.281 1.00 0.00 O ATOM 0 H GLU A 78 5.756 -9.769 -7.374 1.00 0.00 H new ATOM 0 HA GLU A 78 6.463 -7.129 -8.103 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.993 -9.101 -8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.192 -9.774 -9.408 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.877 -7.807 -10.754 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.656 -7.107 -9.349 1.00 0.00 H new ATOM 711 N GLU A 79 4.770 -8.876 -10.348 1.00 0.00 N ATOM 712 CA GLU A 79 3.938 -8.779 -11.543 1.00 0.00 C ATOM 713 C GLU A 79 2.773 -7.817 -11.325 1.00 0.00 C ATOM 714 O GLU A 79 2.536 -6.913 -12.130 1.00 0.00 O ATOM 715 CB GLU A 79 3.407 -10.167 -11.930 1.00 0.00 C ATOM 716 CG GLU A 79 4.488 -11.134 -12.404 1.00 0.00 C ATOM 717 CD GLU A 79 5.091 -10.733 -13.742 1.00 0.00 C ATOM 718 OE1 GLU A 79 6.084 -9.976 -13.759 1.00 0.00 O ATOM 719 OE2 GLU A 79 4.571 -11.176 -14.791 1.00 0.00 O ATOM 0 H GLU A 79 4.870 -9.824 -9.985 1.00 0.00 H new ATOM 0 HA GLU A 79 4.554 -8.390 -12.354 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.896 -10.602 -11.071 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.664 -10.054 -12.719 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.278 -11.184 -11.655 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.063 -12.134 -12.487 1.00 0.00 H new ATOM 726 N ILE A 80 2.060 -8.000 -10.216 1.00 0.00 N ATOM 727 CA ILE A 80 0.860 -7.214 -9.948 1.00 0.00 C ATOM 728 C ILE A 80 1.209 -5.738 -9.697 1.00 0.00 C ATOM 729 O ILE A 80 0.548 -4.834 -10.224 1.00 0.00 O ATOM 730 CB ILE A 80 0.051 -7.800 -8.754 1.00 0.00 C ATOM 731 CG1 ILE A 80 -1.394 -7.276 -8.774 1.00 0.00 C ATOM 732 CG2 ILE A 80 0.714 -7.489 -7.412 1.00 0.00 C ATOM 733 CD1 ILE A 80 -2.176 -7.697 -10.001 1.00 0.00 C ATOM 0 H ILE A 80 2.291 -8.681 -9.493 1.00 0.00 H new ATOM 0 HA ILE A 80 0.230 -7.268 -10.836 1.00 0.00 H new ATOM 0 HB ILE A 80 0.035 -8.884 -8.869 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.913 -7.631 -7.884 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.377 -6.187 -8.720 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.119 -7.915 -6.605 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.715 -7.921 -7.392 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.782 -6.409 -7.281 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.186 -7.291 -9.946 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.681 -7.319 -10.895 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.225 -8.785 -10.046 1.00 0.00 H new ATOM 745 N THR A 81 2.266 -5.498 -8.923 1.00 0.00 N ATOM 746 CA THR A 81 2.712 -4.141 -8.631 1.00 0.00 C ATOM 747 C THR A 81 3.282 -3.483 -9.892 1.00 0.00 C ATOM 748 O THR A 81 3.285 -2.257 -10.015 1.00 0.00 O ATOM 749 CB THR A 81 3.760 -4.126 -7.492 1.00 0.00 C ATOM 750 OG1 THR A 81 3.208 -4.749 -6.322 1.00 0.00 O ATOM 751 CG2 THR A 81 4.191 -2.704 -7.145 1.00 0.00 C ATOM 0 H THR A 81 2.829 -6.228 -8.487 1.00 0.00 H new ATOM 0 HA THR A 81 1.847 -3.569 -8.296 1.00 0.00 H new ATOM 0 HB THR A 81 4.636 -4.675 -7.837 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.318 -5.721 -6.386 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.927 -2.733 -6.342 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.631 -2.233 -8.024 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.323 -2.129 -6.821 1.00 0.00 H new ATOM 759 N SER A 82 3.759 -4.305 -10.823 1.00 0.00 N ATOM 760 CA SER A 82 4.201 -3.817 -12.125 1.00 0.00 C ATOM 761 C SER A 82 2.998 -3.295 -12.913 1.00 0.00 C ATOM 762 O SER A 82 3.021 -2.180 -13.445 1.00 0.00 O ATOM 763 CB SER A 82 4.913 -4.939 -12.899 1.00 0.00 C ATOM 764 OG SER A 82 5.364 -4.494 -14.169 1.00 0.00 O ATOM 0 H SER A 82 3.849 -5.313 -10.699 1.00 0.00 H new ATOM 0 HA SER A 82 4.909 -3.000 -11.983 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.761 -5.301 -12.318 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.233 -5.781 -13.028 1.00 0.00 H new ATOM 0 HG SER A 82 5.813 -5.231 -14.633 1.00 0.00 H new ATOM 770 N LEU A 83 1.935 -4.100 -12.956 1.00 0.00 N ATOM 771 CA LEU A 83 0.695 -3.710 -13.625 1.00 0.00 C ATOM 772 C LEU A 83 0.185 -2.385 -13.066 1.00 0.00 C ATOM 773 O LEU A 83 -0.230 -1.497 -13.811 1.00 0.00 O ATOM 774 CB LEU A 83 -0.383 -4.795 -13.458 1.00 0.00 C ATOM 775 CG LEU A 83 -0.016 -6.181 -14.015 1.00 0.00 C ATOM 776 CD1 LEU A 83 -1.153 -7.176 -13.783 1.00 0.00 C ATOM 777 CD2 LEU A 83 0.333 -6.098 -15.502 1.00 0.00 C ATOM 0 H LEU A 83 1.909 -5.028 -12.534 1.00 0.00 H new ATOM 0 HA LEU A 83 0.908 -3.592 -14.688 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.610 -4.897 -12.397 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.295 -4.455 -13.948 1.00 0.00 H new ATOM 0 HG LEU A 83 0.865 -6.536 -13.480 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.872 -8.150 -14.185 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.345 -7.266 -12.714 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.054 -6.823 -14.285 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.589 -7.091 -15.872 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.524 -5.714 -16.056 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.183 -5.430 -15.639 1.00 0.00 H new ATOM 789 N TRP A 84 0.231 -2.260 -11.743 1.00 0.00 N ATOM 790 CA TRP A 84 -0.207 -1.041 -11.068 1.00 0.00 C ATOM 791 C TRP A 84 0.717 0.131 -11.394 1.00 0.00 C ATOM 792 O TRP A 84 0.250 1.241 -11.671 1.00 0.00 O ATOM 793 CB TRP A 84 -0.286 -1.276 -9.557 1.00 0.00 C ATOM 794 CG TRP A 84 -1.306 -2.313 -9.189 1.00 0.00 C ATOM 795 CD1 TRP A 84 -2.339 -2.748 -9.967 1.00 0.00 C ATOM 796 CD2 TRP A 84 -1.399 -3.037 -7.959 1.00 0.00 C ATOM 797 NE1 TRP A 84 -3.067 -3.693 -9.296 1.00 0.00 N ATOM 798 CE2 TRP A 84 -2.514 -3.886 -8.061 1.00 0.00 C ATOM 799 CE3 TRP A 84 -0.650 -3.048 -6.781 1.00 0.00 C ATOM 800 CZ2 TRP A 84 -2.898 -4.737 -7.031 1.00 0.00 C ATOM 801 CZ3 TRP A 84 -1.032 -3.892 -5.759 1.00 0.00 C ATOM 802 CH2 TRP A 84 -2.147 -4.726 -5.890 1.00 0.00 C ATOM 0 H TRP A 84 0.568 -2.990 -11.115 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.202 -0.783 -11.431 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.692 -1.587 -9.189 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.531 -0.338 -9.059 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -2.551 -2.398 -10.966 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -3.889 -4.175 -9.659 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.213 -2.407 -6.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -3.758 -5.383 -7.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.461 -3.909 -4.843 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -2.420 -5.375 -5.071 1.00 0.00 H new ATOM 813 N GLN A 85 2.024 -0.128 -11.365 1.00 0.00 N ATOM 814 CA GLN A 85 3.028 0.862 -11.757 1.00 0.00 C ATOM 815 C GLN A 85 2.729 1.364 -13.175 1.00 0.00 C ATOM 816 O GLN A 85 3.045 2.499 -13.533 1.00 0.00 O ATOM 817 CB GLN A 85 4.430 0.232 -11.704 1.00 0.00 C ATOM 818 CG GLN A 85 5.584 1.235 -11.648 1.00 0.00 C ATOM 819 CD GLN A 85 5.757 1.865 -10.271 1.00 0.00 C ATOM 820 OE1 GLN A 85 5.220 2.933 -9.978 1.00 0.00 O ATOM 821 NE2 GLN A 85 6.496 1.189 -9.405 1.00 0.00 N ATOM 0 H GLN A 85 2.415 -1.023 -11.071 1.00 0.00 H new ATOM 0 HA GLN A 85 2.994 1.704 -11.066 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.488 -0.416 -10.830 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.561 -0.402 -12.581 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.509 0.733 -11.931 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.411 2.022 -12.383 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.927 0.307 -9.681 1.00 0.00 H new ATOM 0 HE22 GLN A 85 6.635 1.551 -8.461 1.00 0.00 H new ATOM 830 N GLY A 86 2.109 0.491 -13.964 1.00 0.00 N ATOM 831 CA GLY A 86 1.695 0.847 -15.310 1.00 0.00 C ATOM 832 C GLY A 86 0.450 1.715 -15.317 1.00 0.00 C ATOM 833 O GLY A 86 0.513 2.903 -15.649 1.00 0.00 O ATOM 0 H GLY A 86 1.884 -0.466 -13.691 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.507 1.375 -15.810 1.00 0.00 H new ATOM 0 HA3 GLY A 86 1.506 -0.061 -15.882 1.00 0.00 H new ATOM 837 N SER A 87 -0.676 1.123 -14.921 1.00 0.00 N ATOM 838 CA SER A 87 -1.985 1.770 -14.991 1.00 0.00 C ATOM 839 C SER A 87 -2.035 3.090 -14.213 1.00 0.00 C ATOM 840 O SER A 87 -2.386 4.135 -14.769 1.00 0.00 O ATOM 841 CB SER A 87 -3.062 0.815 -14.465 1.00 0.00 C ATOM 842 OG SER A 87 -3.123 -0.371 -15.241 1.00 0.00 O ATOM 0 H SER A 87 -0.706 0.177 -14.541 1.00 0.00 H new ATOM 0 HA SER A 87 -2.172 2.009 -16.038 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.851 0.562 -13.426 1.00 0.00 H new ATOM 0 HB3 SER A 87 -4.032 1.313 -14.481 1.00 0.00 H new ATOM 0 HG SER A 87 -3.915 -0.888 -14.986 1.00 0.00 H new ATOM 848 N LEU A 88 -1.672 3.050 -12.934 1.00 0.00 N ATOM 849 CA LEU A 88 -1.832 4.215 -12.061 1.00 0.00 C ATOM 850 C LEU A 88 -0.960 5.379 -12.525 1.00 0.00 C ATOM 851 O LEU A 88 -1.302 6.544 -12.314 1.00 0.00 O ATOM 852 CB LEU A 88 -1.525 3.862 -10.593 1.00 0.00 C ATOM 853 CG LEU A 88 -2.605 3.024 -9.872 1.00 0.00 C ATOM 854 CD1 LEU A 88 -2.732 1.634 -10.485 1.00 0.00 C ATOM 855 CD2 LEU A 88 -2.310 2.921 -8.377 1.00 0.00 C ATOM 0 H LEU A 88 -1.268 2.231 -12.479 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.875 4.526 -12.124 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.582 3.316 -10.558 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.377 4.788 -10.038 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.557 3.539 -10.002 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.500 1.071 -9.954 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.008 1.724 -11.536 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.779 1.112 -10.404 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.085 2.326 -7.893 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.341 2.444 -8.229 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.293 3.919 -7.940 1.00 0.00 H new ATOM 867 N PHE A 89 0.161 5.066 -13.160 1.00 0.00 N ATOM 868 CA PHE A 89 1.076 6.095 -13.655 1.00 0.00 C ATOM 869 C PHE A 89 0.901 6.300 -15.154 1.00 0.00 C ATOM 870 O PHE A 89 1.644 7.047 -15.792 1.00 0.00 O ATOM 871 CB PHE A 89 2.508 5.718 -13.278 1.00 0.00 C ATOM 872 CG PHE A 89 2.648 5.596 -11.784 1.00 0.00 C ATOM 873 CD1 PHE A 89 2.359 4.402 -11.141 1.00 0.00 C ATOM 874 CD2 PHE A 89 3.013 6.692 -11.018 1.00 0.00 C ATOM 875 CE1 PHE A 89 2.435 4.302 -9.770 1.00 0.00 C ATOM 876 CE2 PHE A 89 3.098 6.594 -9.646 1.00 0.00 C ATOM 877 CZ PHE A 89 2.806 5.399 -9.023 1.00 0.00 C ATOM 0 H PHE A 89 0.462 4.109 -13.346 1.00 0.00 H new ATOM 0 HA PHE A 89 0.845 7.052 -13.187 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.778 4.775 -13.752 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.199 6.473 -13.653 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.071 3.539 -11.723 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.233 7.632 -11.501 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.205 3.367 -9.281 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.393 7.452 -9.060 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.868 5.323 -7.947 1.00 0.00 H new ATOM 887 N ASN A 90 -0.105 5.630 -15.700 1.00 0.00 N ATOM 888 CA ASN A 90 -0.590 5.900 -17.048 1.00 0.00 C ATOM 889 C ASN A 90 -1.680 6.967 -16.961 1.00 0.00 C ATOM 890 O ASN A 90 -1.852 7.787 -17.864 1.00 0.00 O ATOM 891 CB ASN A 90 -1.118 4.602 -17.686 1.00 0.00 C ATOM 892 CG ASN A 90 -1.799 4.810 -19.028 1.00 0.00 C ATOM 893 OD1 ASN A 90 -1.522 5.770 -19.747 1.00 0.00 O ATOM 894 ND2 ASN A 90 -2.669 3.880 -19.389 1.00 0.00 N ATOM 0 H ASN A 90 -0.609 4.883 -15.221 1.00 0.00 H new ATOM 0 HA ASN A 90 0.217 6.268 -17.681 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.288 3.908 -17.814 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -1.823 4.132 -17.000 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.138 3.943 -20.293 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.871 3.100 -18.764 1.00 0.00 H new ATOM 901 N ALA A 91 -2.412 6.936 -15.848 1.00 0.00 N ATOM 902 CA ALA A 91 -3.338 8.008 -15.491 1.00 0.00 C ATOM 903 C ALA A 91 -2.600 9.077 -14.683 1.00 0.00 C ATOM 904 O ALA A 91 -3.100 10.183 -14.485 1.00 0.00 O ATOM 905 CB ALA A 91 -4.518 7.450 -14.698 1.00 0.00 C ATOM 0 H ALA A 91 -2.380 6.172 -15.173 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.728 8.462 -16.402 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.199 8.261 -14.440 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.046 6.712 -15.302 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.153 6.978 -13.786 1.00 0.00 H new ATOM 911 N ASN A 92 -1.404 8.707 -14.212 1.00 0.00 N ATOM 912 CA ASN A 92 -0.502 9.603 -13.480 1.00 0.00 C ATOM 913 C ASN A 92 -1.071 10.016 -12.125 1.00 0.00 C ATOM 914 O ASN A 92 -1.640 11.102 -11.972 1.00 0.00 O ATOM 915 CB ASN A 92 -0.137 10.844 -14.310 1.00 0.00 C ATOM 916 CG ASN A 92 0.750 10.503 -15.494 1.00 0.00 C ATOM 917 OD1 ASN A 92 0.263 10.235 -16.591 1.00 0.00 O ATOM 918 ND2 ASN A 92 2.057 10.503 -15.278 1.00 0.00 N ATOM 0 H ASN A 92 -1.031 7.765 -14.330 1.00 0.00 H new ATOM 0 HA ASN A 92 0.410 9.035 -13.296 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.050 11.321 -14.668 1.00 0.00 H new ATOM 0 HB3 ASN A 92 0.372 11.568 -13.673 1.00 0.00 H new ATOM 0 HD21 ASN A 92 2.699 10.275 -16.037 1.00 0.00 H new ATOM 0 HD22 ASN A 92 2.421 10.731 -14.353 1.00 0.00 H new ATOM 925 N TYR A 93 -0.931 9.130 -11.149 1.00 0.00 N ATOM 926 CA TYR A 93 -1.259 9.444 -9.761 1.00 0.00 C ATOM 927 C TYR A 93 0.019 9.486 -8.924 1.00 0.00 C ATOM 928 O TYR A 93 0.758 8.500 -8.863 1.00 0.00 O ATOM 929 CB TYR A 93 -2.231 8.408 -9.174 1.00 0.00 C ATOM 930 CG TYR A 93 -3.584 8.364 -9.862 1.00 0.00 C ATOM 931 CD1 TYR A 93 -4.358 9.514 -9.990 1.00 0.00 C ATOM 932 CD2 TYR A 93 -4.088 7.175 -10.378 1.00 0.00 C ATOM 933 CE1 TYR A 93 -5.592 9.479 -10.612 1.00 0.00 C ATOM 934 CE2 TYR A 93 -5.321 7.132 -11.000 1.00 0.00 C ATOM 935 CZ TYR A 93 -6.068 8.285 -11.116 1.00 0.00 C ATOM 936 OH TYR A 93 -7.298 8.246 -11.736 1.00 0.00 O ATOM 0 H TYR A 93 -0.590 8.180 -11.293 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.744 10.420 -9.737 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.773 7.421 -9.235 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.381 8.625 -8.116 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.988 10.449 -9.597 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.506 6.270 -10.291 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.180 10.380 -10.703 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.698 6.200 -11.394 1.00 0.00 H new ATOM 0 HH TYR A 93 -7.485 7.332 -12.035 1.00 0.00 H new ATOM 946 N ASP A 94 0.293 10.631 -8.304 1.00 0.00 N ATOM 947 CA ASP A 94 1.447 10.762 -7.412 1.00 0.00 C ATOM 948 C ASP A 94 1.176 10.052 -6.091 1.00 0.00 C ATOM 949 O ASP A 94 0.745 10.666 -5.111 1.00 0.00 O ATOM 950 CB ASP A 94 1.809 12.239 -7.168 1.00 0.00 C ATOM 951 CG ASP A 94 2.659 12.830 -8.284 1.00 0.00 C ATOM 952 OD1 ASP A 94 2.103 13.171 -9.347 1.00 0.00 O ATOM 953 OD2 ASP A 94 3.891 12.959 -8.099 1.00 0.00 O ATOM 0 H ASP A 94 -0.265 11.480 -8.401 1.00 0.00 H new ATOM 0 HA ASP A 94 2.301 10.290 -7.898 1.00 0.00 H new ATOM 0 HB2 ASP A 94 0.893 12.821 -7.068 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.346 12.325 -6.224 1.00 0.00 H new ATOM 958 N VAL A 95 1.401 8.744 -6.090 1.00 0.00 N ATOM 959 CA VAL A 95 1.195 7.912 -4.910 1.00 0.00 C ATOM 960 C VAL A 95 2.540 7.419 -4.382 1.00 0.00 C ATOM 961 O VAL A 95 3.481 7.214 -5.161 1.00 0.00 O ATOM 962 CB VAL A 95 0.282 6.696 -5.242 1.00 0.00 C ATOM 963 CG1 VAL A 95 -1.016 7.158 -5.900 1.00 0.00 C ATOM 964 CG2 VAL A 95 0.998 5.685 -6.135 1.00 0.00 C ATOM 0 H VAL A 95 1.731 8.230 -6.907 1.00 0.00 H new ATOM 0 HA VAL A 95 0.703 8.514 -4.146 1.00 0.00 H new ATOM 0 HB VAL A 95 0.041 6.201 -4.301 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.639 6.292 -6.123 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.550 7.824 -5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.787 7.688 -6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.331 4.849 -6.346 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.286 6.165 -7.070 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.889 5.318 -5.627 1.00 0.00 H new ATOM 974 N GLN A 96 2.648 7.222 -3.069 1.00 0.00 N ATOM 975 CA GLN A 96 3.874 6.687 -2.495 1.00 0.00 C ATOM 976 C GLN A 96 3.660 5.206 -2.218 1.00 0.00 C ATOM 977 O GLN A 96 3.022 4.824 -1.238 1.00 0.00 O ATOM 978 CB GLN A 96 4.280 7.441 -1.214 1.00 0.00 C ATOM 979 CG GLN A 96 5.701 7.125 -0.726 1.00 0.00 C ATOM 980 CD GLN A 96 6.797 7.598 -1.683 1.00 0.00 C ATOM 981 OE1 GLN A 96 6.592 7.691 -2.891 1.00 0.00 O ATOM 982 NE2 GLN A 96 7.982 7.886 -1.152 1.00 0.00 N ATOM 0 H GLN A 96 1.911 7.423 -2.393 1.00 0.00 H new ATOM 0 HA GLN A 96 4.694 6.820 -3.201 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.199 8.513 -1.395 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.572 7.197 -0.422 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.854 7.591 0.247 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.796 6.049 -0.582 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.124 7.800 -0.146 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.748 8.193 -1.751 1.00 0.00 H new ATOM 991 N ARG A 97 4.178 4.383 -3.117 1.00 0.00 N ATOM 992 CA ARG A 97 3.880 2.955 -3.135 1.00 0.00 C ATOM 993 C ARG A 97 5.166 2.151 -3.104 1.00 0.00 C ATOM 994 O ARG A 97 6.155 2.527 -3.738 1.00 0.00 O ATOM 995 CB ARG A 97 3.056 2.588 -4.388 1.00 0.00 C ATOM 996 CG ARG A 97 3.817 2.685 -5.720 1.00 0.00 C ATOM 997 CD ARG A 97 4.301 4.103 -6.018 1.00 0.00 C ATOM 998 NE ARG A 97 5.025 4.193 -7.287 1.00 0.00 N ATOM 999 CZ ARG A 97 5.645 5.294 -7.720 1.00 0.00 C ATOM 1000 NH1 ARG A 97 5.628 6.411 -6.992 1.00 0.00 N ATOM 1001 NH2 ARG A 97 6.249 5.286 -8.902 1.00 0.00 N ATOM 0 H ARG A 97 4.816 4.683 -3.854 1.00 0.00 H new ATOM 0 HA ARG A 97 3.291 2.715 -2.250 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.683 1.570 -4.274 1.00 0.00 H new ATOM 0 HB3 ARG A 97 2.186 3.242 -4.436 1.00 0.00 H new ATOM 0 HG2 ARG A 97 4.673 2.011 -5.695 1.00 0.00 H new ATOM 0 HG3 ARG A 97 3.169 2.348 -6.530 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.445 4.778 -6.043 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.949 4.440 -5.209 1.00 0.00 H new ATOM 0 HE ARG A 97 5.058 3.362 -7.878 1.00 0.00 H new ATOM 0 HH11 ARG A 97 5.139 6.429 -6.097 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.104 7.247 -7.330 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.238 4.442 -9.475 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.724 6.124 -9.238 1.00 0.00 H new ATOM 1015 N PHE A 98 5.152 1.050 -2.368 1.00 0.00 N ATOM 1016 CA PHE A 98 6.324 0.192 -2.251 1.00 0.00 C ATOM 1017 C PHE A 98 5.914 -1.273 -2.308 1.00 0.00 C ATOM 1018 O PHE A 98 4.924 -1.676 -1.694 1.00 0.00 O ATOM 1019 CB PHE A 98 7.079 0.477 -0.941 1.00 0.00 C ATOM 1020 CG PHE A 98 7.558 1.903 -0.815 1.00 0.00 C ATOM 1021 CD1 PHE A 98 8.641 2.354 -1.557 1.00 0.00 C ATOM 1022 CD2 PHE A 98 6.919 2.795 0.034 1.00 0.00 C ATOM 1023 CE1 PHE A 98 9.074 3.662 -1.453 1.00 0.00 C ATOM 1024 CE2 PHE A 98 7.350 4.104 0.139 1.00 0.00 C ATOM 1025 CZ PHE A 98 8.430 4.538 -0.605 1.00 0.00 C ATOM 0 H PHE A 98 4.340 0.728 -1.841 1.00 0.00 H new ATOM 0 HA PHE A 98 6.989 0.407 -3.088 1.00 0.00 H new ATOM 0 HB2 PHE A 98 6.427 0.246 -0.099 1.00 0.00 H new ATOM 0 HB3 PHE A 98 7.937 -0.192 -0.873 1.00 0.00 H new ATOM 0 HD1 PHE A 98 9.151 1.674 -2.224 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.075 2.463 0.620 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.918 3.999 -2.037 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.842 4.788 0.803 1.00 0.00 H new ATOM 0 HZ PHE A 98 8.769 5.560 -0.523 1.00 0.00 H new ATOM 1035 N ILE A 99 6.659 -2.060 -3.073 1.00 0.00 N ATOM 1036 CA ILE A 99 6.466 -3.500 -3.107 1.00 0.00 C ATOM 1037 C ILE A 99 7.288 -4.151 -1.991 1.00 0.00 C ATOM 1038 O ILE A 99 8.459 -4.495 -2.169 1.00 0.00 O ATOM 1039 CB ILE A 99 6.838 -4.101 -4.493 1.00 0.00 C ATOM 1040 CG1 ILE A 99 6.766 -5.638 -4.453 1.00 0.00 C ATOM 1041 CG2 ILE A 99 8.217 -3.624 -4.958 1.00 0.00 C ATOM 1042 CD1 ILE A 99 7.172 -6.304 -5.749 1.00 0.00 C ATOM 0 H ILE A 99 7.405 -1.721 -3.680 1.00 0.00 H new ATOM 0 HA ILE A 99 5.408 -3.709 -2.946 1.00 0.00 H new ATOM 0 HB ILE A 99 6.109 -3.744 -5.220 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.410 -6.001 -3.652 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.748 -5.938 -4.205 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.445 -4.063 -5.929 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.217 -2.537 -5.042 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.972 -3.932 -4.234 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.095 -7.386 -5.642 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.513 -5.971 -6.551 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.201 -6.036 -5.989 1.00 0.00 H new ATOM 1054 N VAL A 100 6.671 -4.283 -0.829 1.00 0.00 N ATOM 1055 CA VAL A 100 7.320 -4.863 0.336 1.00 0.00 C ATOM 1056 C VAL A 100 6.366 -5.845 1.008 1.00 0.00 C ATOM 1057 O VAL A 100 5.201 -5.523 1.244 1.00 0.00 O ATOM 1058 CB VAL A 100 7.783 -3.763 1.335 1.00 0.00 C ATOM 1059 CG1 VAL A 100 6.606 -2.910 1.811 1.00 0.00 C ATOM 1060 CG2 VAL A 100 8.530 -4.376 2.516 1.00 0.00 C ATOM 0 H VAL A 100 5.707 -3.992 -0.666 1.00 0.00 H new ATOM 0 HA VAL A 100 8.214 -5.396 0.011 1.00 0.00 H new ATOM 0 HB VAL A 100 8.473 -3.105 0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 100 6.964 -2.152 2.507 1.00 0.00 H new ATOM 0 HG12 VAL A 100 6.139 -2.424 0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.875 -3.545 2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.842 -3.586 3.199 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.874 -5.070 3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.408 -4.910 2.153 1.00 0.00 H new ATOM 1070 N GLY A 101 6.854 -7.046 1.296 1.00 0.00 N ATOM 1071 CA GLY A 101 5.979 -8.107 1.755 1.00 0.00 C ATOM 1072 C GLY A 101 5.522 -8.961 0.594 1.00 0.00 C ATOM 1073 O GLY A 101 4.679 -8.538 -0.187 1.00 0.00 O ATOM 0 H GLY A 101 7.838 -7.303 1.220 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.501 -8.726 2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.114 -7.679 2.261 1.00 0.00 H new ATOM 1077 N SER A 102 6.113 -10.145 0.461 1.00 0.00 N ATOM 1078 CA SER A 102 5.866 -11.038 -0.678 1.00 0.00 C ATOM 1079 C SER A 102 4.387 -11.085 -1.085 1.00 0.00 C ATOM 1080 O SER A 102 4.070 -11.215 -2.268 1.00 0.00 O ATOM 1081 CB SER A 102 6.353 -12.445 -0.333 1.00 0.00 C ATOM 1082 OG SER A 102 7.689 -12.416 0.144 1.00 0.00 O ATOM 0 H SER A 102 6.779 -10.517 1.138 1.00 0.00 H new ATOM 0 HA SER A 102 6.418 -10.641 -1.530 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.702 -12.884 0.423 1.00 0.00 H new ATOM 0 HB3 SER A 102 6.291 -13.082 -1.215 1.00 0.00 H new ATOM 0 HG SER A 102 8.146 -13.244 -0.113 1.00 0.00 H new ATOM 1088 N ASP A 103 3.486 -10.992 -0.110 1.00 0.00 N ATOM 1089 CA ASP A 103 2.053 -11.018 -0.387 1.00 0.00 C ATOM 1090 C ASP A 103 1.505 -9.610 -0.639 1.00 0.00 C ATOM 1091 O ASP A 103 0.774 -9.386 -1.608 1.00 0.00 O ATOM 1092 CB ASP A 103 1.299 -11.677 0.781 1.00 0.00 C ATOM 1093 CG ASP A 103 1.264 -10.811 2.035 1.00 0.00 C ATOM 1094 OD1 ASP A 103 2.349 -10.485 2.569 1.00 0.00 O ATOM 1095 OD2 ASP A 103 0.154 -10.454 2.484 1.00 0.00 O ATOM 0 H ASP A 103 3.723 -10.898 0.878 1.00 0.00 H new ATOM 0 HA ASP A 103 1.899 -11.605 -1.292 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.278 -11.896 0.469 1.00 0.00 H new ATOM 0 HB3 ASP A 103 1.771 -12.631 1.018 1.00 0.00 H new ATOM 1100 N ARG A 104 1.850 -8.680 0.247 1.00 0.00 N ATOM 1101 CA ARG A 104 1.298 -7.327 0.216 1.00 0.00 C ATOM 1102 C ARG A 104 2.083 -6.349 -0.658 1.00 0.00 C ATOM 1103 O ARG A 104 3.271 -6.515 -0.928 1.00 0.00 O ATOM 1104 CB ARG A 104 1.197 -6.761 1.644 1.00 0.00 C ATOM 1105 CG ARG A 104 -0.089 -7.141 2.371 1.00 0.00 C ATOM 1106 CD ARG A 104 -0.137 -6.565 3.780 1.00 0.00 C ATOM 1107 NE ARG A 104 -1.476 -6.660 4.374 1.00 0.00 N ATOM 1108 CZ ARG A 104 -1.708 -6.829 5.679 1.00 0.00 C ATOM 1109 NH1 ARG A 104 -0.701 -7.071 6.507 1.00 0.00 N ATOM 1110 NH2 ARG A 104 -2.950 -6.790 6.144 1.00 0.00 N ATOM 0 H ARG A 104 2.516 -8.840 1.003 1.00 0.00 H new ATOM 0 HA ARG A 104 0.311 -7.425 -0.235 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.049 -7.114 2.225 1.00 0.00 H new ATOM 0 HB3 ARG A 104 1.270 -5.674 1.599 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -0.947 -6.782 1.803 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -0.171 -8.227 2.420 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.577 -7.094 4.411 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.174 -5.521 3.754 1.00 0.00 H new ATOM 0 HE ARG A 104 -2.281 -6.593 3.751 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.252 -7.128 6.148 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -0.879 -7.200 7.503 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -3.729 -6.631 5.505 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -3.126 -6.919 7.140 1.00 0.00 H new ATOM 1124 N ALA A 105 1.358 -5.334 -1.110 1.00 0.00 N ATOM 1125 CA ALA A 105 1.929 -4.136 -1.704 1.00 0.00 C ATOM 1126 C ALA A 105 1.322 -2.937 -0.984 1.00 0.00 C ATOM 1127 O ALA A 105 0.131 -2.951 -0.658 1.00 0.00 O ATOM 1128 CB ALA A 105 1.639 -4.079 -3.201 1.00 0.00 C ATOM 0 H ALA A 105 0.339 -5.322 -1.073 1.00 0.00 H new ATOM 0 HA ALA A 105 3.013 -4.136 -1.593 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.076 -3.174 -3.622 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.072 -4.952 -3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.561 -4.070 -3.363 1.00 0.00 H new ATOM 1134 N ILE A 106 2.116 -1.907 -0.719 1.00 0.00 N ATOM 1135 CA ILE A 106 1.652 -0.794 0.109 1.00 0.00 C ATOM 1136 C ILE A 106 1.452 0.471 -0.719 1.00 0.00 C ATOM 1137 O ILE A 106 2.314 0.851 -1.520 1.00 0.00 O ATOM 1138 CB ILE A 106 2.612 -0.501 1.294 1.00 0.00 C ATOM 1139 CG1 ILE A 106 2.085 0.675 2.135 1.00 0.00 C ATOM 1140 CG2 ILE A 106 4.031 -0.222 0.804 1.00 0.00 C ATOM 1141 CD1 ILE A 106 2.987 1.056 3.286 1.00 0.00 C ATOM 0 H ILE A 106 3.073 -1.816 -1.059 1.00 0.00 H new ATOM 0 HA ILE A 106 0.691 -1.101 0.522 1.00 0.00 H new ATOM 0 HB ILE A 106 2.649 -1.390 1.924 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.953 1.542 1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.101 0.417 2.527 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.678 -0.021 1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.406 -1.090 0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.024 0.644 0.142 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.548 1.892 3.831 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.100 0.205 3.957 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.964 1.347 2.901 1.00 0.00 H new ATOM 1153 N PHE A 107 0.297 1.107 -0.525 1.00 0.00 N ATOM 1154 CA PHE A 107 -0.032 2.370 -1.176 1.00 0.00 C ATOM 1155 C PHE A 107 -0.362 3.430 -0.134 1.00 0.00 C ATOM 1156 O PHE A 107 -1.405 3.373 0.522 1.00 0.00 O ATOM 1157 CB PHE A 107 -1.218 2.198 -2.139 1.00 0.00 C ATOM 1158 CG PHE A 107 -0.864 1.466 -3.409 1.00 0.00 C ATOM 1159 CD1 PHE A 107 -0.792 0.083 -3.431 1.00 0.00 C ATOM 1160 CD2 PHE A 107 -0.602 2.167 -4.578 1.00 0.00 C ATOM 1161 CE1 PHE A 107 -0.463 -0.587 -4.591 1.00 0.00 C ATOM 1162 CE2 PHE A 107 -0.274 1.500 -5.742 1.00 0.00 C ATOM 1163 CZ PHE A 107 -0.205 0.124 -5.748 1.00 0.00 C ATOM 0 H PHE A 107 -0.438 0.758 0.090 1.00 0.00 H new ATOM 0 HA PHE A 107 0.837 2.691 -1.751 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.015 1.657 -1.628 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -1.613 3.181 -2.394 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.996 -0.477 -2.530 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.655 3.246 -4.577 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.407 -1.666 -4.595 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -0.072 2.056 -6.646 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.051 -0.399 -6.657 1.00 0.00 H new ATOM 1173 N MET A 108 0.549 4.376 0.033 1.00 0.00 N ATOM 1174 CA MET A 108 0.349 5.502 0.935 1.00 0.00 C ATOM 1175 C MET A 108 -0.023 6.740 0.129 1.00 0.00 C ATOM 1176 O MET A 108 0.746 7.192 -0.732 1.00 0.00 O ATOM 1177 CB MET A 108 1.611 5.753 1.768 1.00 0.00 C ATOM 1178 CG MET A 108 1.884 4.660 2.795 1.00 0.00 C ATOM 1179 SD MET A 108 3.478 4.849 3.611 1.00 0.00 S ATOM 1180 CE MET A 108 4.592 4.522 2.248 1.00 0.00 C ATOM 0 H MET A 108 1.447 4.386 -0.451 1.00 0.00 H new ATOM 0 HA MET A 108 -0.465 5.271 1.622 1.00 0.00 H new ATOM 0 HB2 MET A 108 2.468 5.836 1.100 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.514 6.709 2.282 1.00 0.00 H new ATOM 0 HG2 MET A 108 1.094 4.668 3.546 1.00 0.00 H new ATOM 0 HG3 MET A 108 1.846 3.688 2.303 1.00 0.00 H new ATOM 0 HE1 MET A 108 5.563 4.216 2.637 1.00 0.00 H new ATOM 0 HE2 MET A 108 4.183 3.726 1.627 1.00 0.00 H new ATOM 0 HE3 MET A 108 4.710 5.425 1.649 1.00 0.00 H new ATOM 1190 N LEU A 109 -1.212 7.268 0.395 1.00 0.00 N ATOM 1191 CA LEU A 109 -1.730 8.416 -0.335 1.00 0.00 C ATOM 1192 C LEU A 109 -1.781 9.643 0.569 1.00 0.00 C ATOM 1193 O LEU A 109 -2.277 9.581 1.696 1.00 0.00 O ATOM 1194 CB LEU A 109 -3.138 8.122 -0.882 1.00 0.00 C ATOM 1195 CG LEU A 109 -3.281 6.834 -1.713 1.00 0.00 C ATOM 1196 CD1 LEU A 109 -4.663 6.757 -2.360 1.00 0.00 C ATOM 1197 CD2 LEU A 109 -2.188 6.738 -2.768 1.00 0.00 C ATOM 0 H LEU A 109 -1.839 6.915 1.118 1.00 0.00 H new ATOM 0 HA LEU A 109 -1.059 8.614 -1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.829 8.067 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.451 8.965 -1.498 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.171 5.986 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.742 5.839 -2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.429 6.761 -1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.806 7.616 -3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.314 5.819 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.254 7.594 -3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.212 6.732 -2.282 1.00 0.00 H new ATOM 1209 N ARG A 110 -1.259 10.754 0.070 1.00 0.00 N ATOM 1210 CA ARG A 110 -1.368 12.034 0.762 1.00 0.00 C ATOM 1211 C ARG A 110 -2.650 12.740 0.333 1.00 0.00 C ATOM 1212 O ARG A 110 -2.923 13.873 0.734 1.00 0.00 O ATOM 1213 CB ARG A 110 -0.139 12.899 0.469 1.00 0.00 C ATOM 1214 CG ARG A 110 1.119 12.458 1.221 1.00 0.00 C ATOM 1215 CD ARG A 110 1.006 12.730 2.725 1.00 0.00 C ATOM 1216 NE ARG A 110 0.620 14.118 2.996 1.00 0.00 N ATOM 1217 CZ ARG A 110 1.331 15.186 2.622 1.00 0.00 C ATOM 1218 NH1 ARG A 110 2.525 15.043 2.065 1.00 0.00 N ATOM 1219 NH2 ARG A 110 0.855 16.400 2.835 1.00 0.00 N ATOM 0 H ARG A 110 -0.754 10.797 -0.815 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.410 11.863 1.838 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.063 12.877 -0.602 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.363 13.933 0.730 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.287 11.394 1.055 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.986 12.984 0.820 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.270 12.055 3.163 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.960 12.517 3.206 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.250 14.279 3.504 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.911 14.110 1.918 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.058 15.866 1.784 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -0.053 16.520 3.284 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.396 17.217 2.551 1.00 0.00 H new ATOM 1233 N ASP A 111 -3.433 12.043 -0.483 1.00 0.00 N ATOM 1234 CA ASP A 111 -4.726 12.521 -0.941 1.00 0.00 C ATOM 1235 C ASP A 111 -5.674 11.339 -1.098 1.00 0.00 C ATOM 1236 O ASP A 111 -5.292 10.304 -1.643 1.00 0.00 O ATOM 1237 CB ASP A 111 -4.592 13.268 -2.271 1.00 0.00 C ATOM 1238 CG ASP A 111 -5.935 13.744 -2.796 1.00 0.00 C ATOM 1239 OD1 ASP A 111 -6.381 14.843 -2.392 1.00 0.00 O ATOM 1240 OD2 ASP A 111 -6.553 13.018 -3.600 1.00 0.00 O ATOM 0 H ASP A 111 -3.183 11.123 -0.846 1.00 0.00 H new ATOM 0 HA ASP A 111 -5.126 13.216 -0.202 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.930 14.124 -2.140 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -4.126 12.614 -3.008 1.00 0.00 H new ATOM 1245 N GLY A 112 -6.901 11.493 -0.614 1.00 0.00 N ATOM 1246 CA GLY A 112 -7.861 10.405 -0.646 1.00 0.00 C ATOM 1247 C GLY A 112 -9.044 10.685 -1.554 1.00 0.00 C ATOM 1248 O GLY A 112 -10.114 10.096 -1.380 1.00 0.00 O ATOM 0 H GLY A 112 -7.250 12.357 -0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.361 9.496 -0.980 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.222 10.217 0.365 1.00 0.00 H new ATOM 1252 N SER A 113 -8.861 11.571 -2.528 1.00 0.00 N ATOM 1253 CA SER A 113 -9.926 11.892 -3.474 1.00 0.00 C ATOM 1254 C SER A 113 -10.264 10.659 -4.310 1.00 0.00 C ATOM 1255 O SER A 113 -11.433 10.315 -4.487 1.00 0.00 O ATOM 1256 CB SER A 113 -9.513 13.060 -4.382 1.00 0.00 C ATOM 1257 OG SER A 113 -10.570 13.452 -5.240 1.00 0.00 O ATOM 0 H SER A 113 -7.990 12.078 -2.683 1.00 0.00 H new ATOM 0 HA SER A 113 -10.811 12.196 -2.915 1.00 0.00 H new ATOM 0 HB2 SER A 113 -9.208 13.908 -3.769 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.648 12.770 -4.978 1.00 0.00 H new ATOM 0 HG SER A 113 -10.275 14.198 -5.803 1.00 0.00 H new ATOM 1263 N TYR A 114 -9.223 9.975 -4.783 1.00 0.00 N ATOM 1264 CA TYR A 114 -9.380 8.783 -5.621 1.00 0.00 C ATOM 1265 C TYR A 114 -9.161 7.507 -4.806 1.00 0.00 C ATOM 1266 O TYR A 114 -8.805 6.462 -5.355 1.00 0.00 O ATOM 1267 CB TYR A 114 -8.409 8.845 -6.816 1.00 0.00 C ATOM 1268 CG TYR A 114 -6.949 9.051 -6.431 1.00 0.00 C ATOM 1269 CD1 TYR A 114 -6.446 10.327 -6.193 1.00 0.00 C ATOM 1270 CD2 TYR A 114 -6.075 7.972 -6.312 1.00 0.00 C ATOM 1271 CE1 TYR A 114 -5.122 10.522 -5.849 1.00 0.00 C ATOM 1272 CE2 TYR A 114 -4.748 8.161 -5.967 1.00 0.00 C ATOM 1273 CZ TYR A 114 -4.278 9.437 -5.737 1.00 0.00 C ATOM 1274 OH TYR A 114 -2.957 9.631 -5.395 1.00 0.00 O ATOM 0 H TYR A 114 -8.252 10.228 -4.599 1.00 0.00 H new ATOM 0 HA TYR A 114 -10.401 8.760 -6.003 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -8.495 7.920 -7.386 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -8.716 9.656 -7.476 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -7.103 11.180 -6.279 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -6.439 6.971 -6.492 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -4.750 11.520 -5.669 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -4.084 7.314 -5.878 1.00 0.00 H new ATOM 0 HH TYR A 114 -2.835 9.442 -4.441 1.00 0.00 H new ATOM 1284 N ALA A 115 -9.416 7.593 -3.502 1.00 0.00 N ATOM 1285 CA ALA A 115 -9.180 6.478 -2.583 1.00 0.00 C ATOM 1286 C ALA A 115 -10.029 5.257 -2.943 1.00 0.00 C ATOM 1287 O ALA A 115 -9.521 4.138 -3.058 1.00 0.00 O ATOM 1288 CB ALA A 115 -9.468 6.912 -1.153 1.00 0.00 C ATOM 0 H ALA A 115 -9.789 8.430 -3.054 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.132 6.190 -2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.290 6.076 -0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -8.813 7.741 -0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.508 7.230 -1.072 1.00 0.00 H new ATOM 1294 N TRP A 116 -11.325 5.476 -3.121 1.00 0.00 N ATOM 1295 CA TRP A 116 -12.249 4.386 -3.418 1.00 0.00 C ATOM 1296 C TRP A 116 -12.061 3.895 -4.853 1.00 0.00 C ATOM 1297 O TRP A 116 -12.299 2.724 -5.150 1.00 0.00 O ATOM 1298 CB TRP A 116 -13.700 4.831 -3.170 1.00 0.00 C ATOM 1299 CG TRP A 116 -14.366 4.096 -2.040 1.00 0.00 C ATOM 1300 CD1 TRP A 116 -15.468 3.297 -2.126 1.00 0.00 C ATOM 1301 CD2 TRP A 116 -13.966 4.081 -0.660 1.00 0.00 C ATOM 1302 NE1 TRP A 116 -15.784 2.789 -0.890 1.00 0.00 N ATOM 1303 CE2 TRP A 116 -14.880 3.256 0.027 1.00 0.00 C ATOM 1304 CE3 TRP A 116 -12.928 4.682 0.063 1.00 0.00 C ATOM 1305 CZ2 TRP A 116 -14.784 3.021 1.397 1.00 0.00 C ATOM 1306 CZ3 TRP A 116 -12.836 4.447 1.421 1.00 0.00 C ATOM 1307 CH2 TRP A 116 -13.760 3.625 2.075 1.00 0.00 C ATOM 0 H TRP A 116 -11.761 6.396 -3.065 1.00 0.00 H new ATOM 0 HA TRP A 116 -12.031 3.553 -2.749 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -13.713 5.900 -2.956 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -14.279 4.682 -4.082 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -16.014 3.093 -3.035 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -16.565 2.165 -0.688 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -12.211 5.319 -0.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -15.493 2.385 1.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -12.038 4.905 1.987 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -13.663 3.463 3.138 1.00 0.00 H new ATOM 1318 N GLU A 117 -11.619 4.790 -5.729 1.00 0.00 N ATOM 1319 CA GLU A 117 -11.371 4.443 -7.124 1.00 0.00 C ATOM 1320 C GLU A 117 -10.168 3.511 -7.235 1.00 0.00 C ATOM 1321 O GLU A 117 -10.234 2.475 -7.905 1.00 0.00 O ATOM 1322 CB GLU A 117 -11.149 5.707 -7.970 1.00 0.00 C ATOM 1323 CG GLU A 117 -12.405 6.560 -8.166 1.00 0.00 C ATOM 1324 CD GLU A 117 -13.035 7.008 -6.855 1.00 0.00 C ATOM 1325 OE1 GLU A 117 -12.327 7.623 -6.034 1.00 0.00 O ATOM 1326 OE2 GLU A 117 -14.231 6.730 -6.634 1.00 0.00 O ATOM 0 H GLU A 117 -11.424 5.764 -5.497 1.00 0.00 H new ATOM 0 HA GLU A 117 -12.250 3.925 -7.508 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.380 6.317 -7.497 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.767 5.414 -8.948 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -12.151 7.439 -8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.138 5.991 -8.738 1.00 0.00 H new ATOM 1333 N ILE A 118 -9.069 3.874 -6.571 1.00 0.00 N ATOM 1334 CA ILE A 118 -7.875 3.037 -6.575 1.00 0.00 C ATOM 1335 C ILE A 118 -8.178 1.702 -5.895 1.00 0.00 C ATOM 1336 O ILE A 118 -7.775 0.652 -6.384 1.00 0.00 O ATOM 1337 CB ILE A 118 -6.650 3.725 -5.900 1.00 0.00 C ATOM 1338 CG1 ILE A 118 -5.395 2.837 -6.013 1.00 0.00 C ATOM 1339 CG2 ILE A 118 -6.933 4.060 -4.437 1.00 0.00 C ATOM 1340 CD1 ILE A 118 -4.159 3.427 -5.358 1.00 0.00 C ATOM 0 H ILE A 118 -8.984 4.734 -6.029 1.00 0.00 H new ATOM 0 HA ILE A 118 -7.602 2.869 -7.617 1.00 0.00 H new ATOM 0 HB ILE A 118 -6.466 4.660 -6.429 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.606 1.868 -5.560 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -5.184 2.657 -7.067 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -6.058 4.538 -3.997 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -7.785 4.737 -4.377 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -7.158 3.144 -3.891 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -3.320 2.742 -5.481 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.920 4.382 -5.826 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -4.349 3.581 -4.296 1.00 0.00 H new ATOM 1352 N LYS A 119 -8.924 1.753 -4.787 1.00 0.00 N ATOM 1353 CA LYS A 119 -9.348 0.543 -4.081 1.00 0.00 C ATOM 1354 C LYS A 119 -10.139 -0.368 -5.021 1.00 0.00 C ATOM 1355 O LYS A 119 -9.857 -1.569 -5.134 1.00 0.00 O ATOM 1356 CB LYS A 119 -10.186 0.922 -2.839 1.00 0.00 C ATOM 1357 CG LYS A 119 -10.718 -0.264 -2.025 1.00 0.00 C ATOM 1358 CD LYS A 119 -12.077 -0.759 -2.526 1.00 0.00 C ATOM 1359 CE LYS A 119 -12.572 -1.967 -1.739 1.00 0.00 C ATOM 1360 NZ LYS A 119 -13.937 -2.379 -2.156 1.00 0.00 N ATOM 0 H LYS A 119 -9.246 2.622 -4.360 1.00 0.00 H new ATOM 0 HA LYS A 119 -8.466 -0.003 -3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -9.577 1.546 -2.186 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -11.032 1.529 -3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -9.999 -1.082 -2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -10.805 0.028 -0.978 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -12.807 0.047 -2.449 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -12.001 -1.021 -3.581 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -11.883 -2.799 -1.880 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -12.573 -1.731 -0.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -14.237 -3.203 -1.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -14.600 -1.594 -1.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -13.931 -2.629 -3.166 1.00 0.00 H new ATOM 1374 N ASP A 120 -11.123 0.218 -5.698 1.00 0.00 N ATOM 1375 CA ASP A 120 -11.955 -0.511 -6.656 1.00 0.00 C ATOM 1376 C ASP A 120 -11.090 -1.159 -7.732 1.00 0.00 C ATOM 1377 O ASP A 120 -11.308 -2.314 -8.115 1.00 0.00 O ATOM 1378 CB ASP A 120 -12.985 0.430 -7.300 1.00 0.00 C ATOM 1379 CG ASP A 120 -13.783 -0.237 -8.412 1.00 0.00 C ATOM 1380 OD1 ASP A 120 -14.703 -1.023 -8.106 1.00 0.00 O ATOM 1381 OD2 ASP A 120 -13.496 0.031 -9.602 1.00 0.00 O ATOM 0 H ASP A 120 -11.366 1.204 -5.601 1.00 0.00 H new ATOM 0 HA ASP A 120 -12.487 -1.295 -6.118 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -13.671 0.789 -6.533 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -12.471 1.303 -7.702 1.00 0.00 H new ATOM 1386 N PHE A 121 -10.081 -0.425 -8.185 1.00 0.00 N ATOM 1387 CA PHE A 121 -9.182 -0.926 -9.214 1.00 0.00 C ATOM 1388 C PHE A 121 -8.378 -2.104 -8.673 1.00 0.00 C ATOM 1389 O PHE A 121 -8.280 -3.144 -9.320 1.00 0.00 O ATOM 1390 CB PHE A 121 -8.244 0.188 -9.699 1.00 0.00 C ATOM 1391 CG PHE A 121 -7.210 -0.288 -10.688 1.00 0.00 C ATOM 1392 CD1 PHE A 121 -7.552 -0.538 -12.009 1.00 0.00 C ATOM 1393 CD2 PHE A 121 -5.895 -0.491 -10.292 1.00 0.00 C ATOM 1394 CE1 PHE A 121 -6.604 -0.981 -12.913 1.00 0.00 C ATOM 1395 CE2 PHE A 121 -4.946 -0.933 -11.192 1.00 0.00 C ATOM 1396 CZ PHE A 121 -5.301 -1.179 -12.504 1.00 0.00 C ATOM 0 H PHE A 121 -9.866 0.516 -7.856 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.775 -1.265 -10.063 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.838 0.979 -10.158 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.738 0.627 -8.839 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.570 -0.385 -12.335 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -5.611 -0.301 -9.268 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.883 -1.172 -13.939 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -3.926 -1.086 -10.870 1.00 0.00 H new ATOM 0 HZ PHE A 121 -4.560 -1.526 -13.209 1.00 0.00 H new ATOM 1406 N LEU A 122 -7.815 -1.931 -7.478 1.00 0.00 N ATOM 1407 CA LEU A 122 -7.023 -2.973 -6.822 1.00 0.00 C ATOM 1408 C LEU A 122 -7.799 -4.288 -6.728 1.00 0.00 C ATOM 1409 O LEU A 122 -7.258 -5.358 -7.021 1.00 0.00 O ATOM 1410 CB LEU A 122 -6.590 -2.505 -5.422 1.00 0.00 C ATOM 1411 CG LEU A 122 -5.692 -1.256 -5.401 1.00 0.00 C ATOM 1412 CD1 LEU A 122 -5.476 -0.761 -3.976 1.00 0.00 C ATOM 1413 CD2 LEU A 122 -4.354 -1.532 -6.084 1.00 0.00 C ATOM 0 H LEU A 122 -7.894 -1.069 -6.938 1.00 0.00 H new ATOM 0 HA LEU A 122 -6.135 -3.154 -7.428 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -7.483 -2.301 -4.831 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -6.062 -3.322 -4.930 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.202 -0.471 -5.959 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -4.838 0.123 -3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -6.437 -0.507 -3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.998 -1.544 -3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.739 -0.633 -6.055 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.840 -2.340 -5.564 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.527 -1.820 -7.121 1.00 0.00 H new ATOM 1425 N VAL A 123 -9.069 -4.209 -6.334 1.00 0.00 N ATOM 1426 CA VAL A 123 -9.907 -5.406 -6.204 1.00 0.00 C ATOM 1427 C VAL A 123 -10.480 -5.841 -7.560 1.00 0.00 C ATOM 1428 O VAL A 123 -10.980 -6.957 -7.703 1.00 0.00 O ATOM 1429 CB VAL A 123 -11.058 -5.195 -5.185 1.00 0.00 C ATOM 1430 CG1 VAL A 123 -10.500 -4.835 -3.809 1.00 0.00 C ATOM 1431 CG2 VAL A 123 -12.036 -4.128 -5.673 1.00 0.00 C ATOM 0 H VAL A 123 -9.541 -3.335 -6.100 1.00 0.00 H new ATOM 0 HA VAL A 123 -9.261 -6.200 -5.830 1.00 0.00 H new ATOM 0 HB VAL A 123 -11.606 -6.133 -5.096 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -11.323 -4.691 -3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -9.858 -5.642 -3.454 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -9.920 -3.915 -3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -12.832 -4.001 -4.939 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -11.508 -3.183 -5.803 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -12.466 -4.437 -6.625 1.00 0.00 H new ATOM 1441 N SER A 124 -10.403 -4.947 -8.548 1.00 0.00 N ATOM 1442 CA SER A 124 -10.822 -5.245 -9.925 1.00 0.00 C ATOM 1443 C SER A 124 -9.806 -6.156 -10.644 1.00 0.00 C ATOM 1444 O SER A 124 -9.981 -6.484 -11.821 1.00 0.00 O ATOM 1445 CB SER A 124 -11.000 -3.929 -10.703 1.00 0.00 C ATOM 1446 OG SER A 124 -11.441 -4.149 -12.035 1.00 0.00 O ATOM 0 H SER A 124 -10.050 -3.999 -8.420 1.00 0.00 H new ATOM 0 HA SER A 124 -11.771 -5.780 -9.885 1.00 0.00 H new ATOM 0 HB2 SER A 124 -11.720 -3.296 -10.184 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.054 -3.388 -10.720 1.00 0.00 H new ATOM 0 HG SER A 124 -11.081 -5.000 -12.363 1.00 0.00 H new ATOM 1452 N GLN A 125 -8.752 -6.555 -9.934 1.00 0.00 N ATOM 1453 CA GLN A 125 -7.651 -7.319 -10.527 1.00 0.00 C ATOM 1454 C GLN A 125 -8.012 -8.791 -10.743 1.00 0.00 C ATOM 1455 O GLN A 125 -8.968 -9.308 -10.166 1.00 0.00 O ATOM 1456 CB GLN A 125 -6.377 -7.194 -9.674 1.00 0.00 C ATOM 1457 CG GLN A 125 -5.348 -6.235 -10.264 1.00 0.00 C ATOM 1458 CD GLN A 125 -5.908 -4.848 -10.523 1.00 0.00 C ATOM 1459 OE1 GLN A 125 -6.432 -4.563 -11.601 1.00 0.00 O ATOM 1460 NE2 GLN A 125 -5.788 -3.972 -9.542 1.00 0.00 N ATOM 0 H GLN A 125 -8.635 -6.361 -8.939 1.00 0.00 H new ATOM 0 HA GLN A 125 -7.460 -6.888 -11.510 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.649 -6.854 -8.675 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -5.924 -8.179 -9.563 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -4.500 -6.157 -9.583 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -4.969 -6.648 -11.199 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -5.348 -4.247 -8.664 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -6.136 -3.021 -9.662 1.00 0.00 H new ATOM 1469 N ASP A 126 -7.196 -9.456 -11.558 1.00 0.00 N ATOM 1470 CA ASP A 126 -7.469 -10.821 -12.008 1.00 0.00 C ATOM 1471 C ASP A 126 -7.080 -11.806 -10.914 1.00 0.00 C ATOM 1472 O ASP A 126 -7.831 -12.725 -10.583 1.00 0.00 O ATOM 1473 CB ASP A 126 -6.678 -11.144 -13.286 1.00 0.00 C ATOM 1474 CG ASP A 126 -6.769 -10.043 -14.329 1.00 0.00 C ATOM 1475 OD1 ASP A 126 -7.734 -10.039 -15.118 1.00 0.00 O ATOM 1476 OD2 ASP A 126 -5.869 -9.172 -14.358 1.00 0.00 O ATOM 0 H ASP A 126 -6.328 -9.065 -11.925 1.00 0.00 H new ATOM 0 HA ASP A 126 -8.534 -10.906 -12.225 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -5.632 -11.309 -13.028 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -7.051 -12.075 -13.713 1.00 0.00 H new ATOM 1481 N ARG A 127 -5.896 -11.582 -10.346 1.00 0.00 N ATOM 1482 CA ARG A 127 -5.354 -12.438 -9.289 1.00 0.00 C ATOM 1483 C ARG A 127 -6.179 -12.339 -7.999 1.00 0.00 C ATOM 1484 O ARG A 127 -5.899 -13.045 -7.030 1.00 0.00 O ATOM 1485 CB ARG A 127 -3.890 -12.064 -9.001 1.00 0.00 C ATOM 1486 CG ARG A 127 -2.961 -12.205 -10.207 1.00 0.00 C ATOM 1487 CD ARG A 127 -1.513 -11.872 -9.849 1.00 0.00 C ATOM 1488 NE ARG A 127 -0.609 -11.995 -10.998 1.00 0.00 N ATOM 1489 CZ ARG A 127 0.434 -12.828 -11.048 1.00 0.00 C ATOM 1490 NH1 ARG A 127 0.664 -13.670 -10.050 1.00 0.00 N ATOM 1491 NH2 ARG A 127 1.239 -12.830 -12.103 1.00 0.00 N ATOM 0 H ARG A 127 -5.287 -10.806 -10.603 1.00 0.00 H new ATOM 0 HA ARG A 127 -5.405 -13.468 -9.642 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -3.852 -11.034 -8.645 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -3.517 -12.694 -8.193 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -3.016 -13.224 -10.591 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -3.299 -11.545 -11.006 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -1.463 -10.856 -9.458 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -1.177 -12.536 -9.053 1.00 0.00 H new ATOM 0 HE ARG A 127 -0.789 -11.406 -11.811 1.00 0.00 H new ATOM 0 HH11 ARG A 127 0.043 -13.683 -9.241 1.00 0.00 H new ATOM 0 HH12 ARG A 127 1.461 -14.305 -10.092 1.00 0.00 H new ATOM 0 HH21 ARG A 127 1.063 -12.194 -12.880 1.00 0.00 H new ATOM 0 HH22 ARG A 127 2.034 -13.468 -12.137 1.00 0.00 H new ATOM 1505 N CYS A 128 -7.194 -11.468 -8.004 1.00 0.00 N ATOM 1506 CA CYS A 128 -8.043 -11.234 -6.835 1.00 0.00 C ATOM 1507 C CYS A 128 -7.216 -10.674 -5.680 1.00 0.00 C ATOM 1508 O CYS A 128 -6.634 -11.421 -4.889 1.00 0.00 O ATOM 1509 CB CYS A 128 -8.769 -12.521 -6.409 1.00 0.00 C ATOM 1510 SG CYS A 128 -9.915 -12.307 -5.025 1.00 0.00 S ATOM 0 H CYS A 128 -7.448 -10.908 -8.817 1.00 0.00 H new ATOM 0 HA CYS A 128 -8.800 -10.499 -7.109 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -9.320 -12.913 -7.264 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -8.026 -13.270 -6.137 1.00 0.00 H new ATOM 0 HG CYS A 128 -10.475 -13.446 -4.746 1.00 0.00 H new ATOM 1516 N ALA A 129 -7.145 -9.348 -5.609 1.00 0.00 N ATOM 1517 CA ALA A 129 -6.354 -8.671 -4.588 1.00 0.00 C ATOM 1518 C ALA A 129 -7.250 -8.185 -3.451 1.00 0.00 C ATOM 1519 O ALA A 129 -8.304 -7.588 -3.692 1.00 0.00 O ATOM 1520 CB ALA A 129 -5.592 -7.505 -5.205 1.00 0.00 C ATOM 0 H ALA A 129 -7.628 -8.719 -6.250 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.635 -9.379 -4.176 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -5.004 -7.006 -4.434 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -4.927 -7.877 -5.985 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -6.299 -6.797 -5.638 1.00 0.00 H new ATOM 1526 N GLU A 130 -6.834 -8.456 -2.219 1.00 0.00 N ATOM 1527 CA GLU A 130 -7.571 -8.024 -1.037 1.00 0.00 C ATOM 1528 C GLU A 130 -6.816 -6.902 -0.339 1.00 0.00 C ATOM 1529 O GLU A 130 -5.642 -7.049 0.004 1.00 0.00 O ATOM 1530 CB GLU A 130 -7.793 -9.205 -0.087 1.00 0.00 C ATOM 1531 CG GLU A 130 -8.614 -10.327 -0.712 1.00 0.00 C ATOM 1532 CD GLU A 130 -8.899 -11.458 0.256 1.00 0.00 C ATOM 1533 OE1 GLU A 130 -9.819 -11.313 1.090 1.00 0.00 O ATOM 1534 OE2 GLU A 130 -8.202 -12.495 0.191 1.00 0.00 O ATOM 0 H GLU A 130 -5.982 -8.978 -2.012 1.00 0.00 H new ATOM 0 HA GLU A 130 -8.547 -7.648 -1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -6.826 -9.600 0.224 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -8.297 -8.851 0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -9.558 -9.921 -1.076 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -8.082 -10.721 -1.577 1.00 0.00 H new ATOM 1541 N VAL A 131 -7.490 -5.778 -0.143 1.00 0.00 N ATOM 1542 CA VAL A 131 -6.857 -4.582 0.391 1.00 0.00 C ATOM 1543 C VAL A 131 -7.196 -4.373 1.868 1.00 0.00 C ATOM 1544 O VAL A 131 -8.363 -4.398 2.263 1.00 0.00 O ATOM 1545 CB VAL A 131 -7.266 -3.325 -0.427 1.00 0.00 C ATOM 1546 CG1 VAL A 131 -8.786 -3.171 -0.483 1.00 0.00 C ATOM 1547 CG2 VAL A 131 -6.613 -2.067 0.144 1.00 0.00 C ATOM 0 H VAL A 131 -8.483 -5.670 -0.348 1.00 0.00 H new ATOM 0 HA VAL A 131 -5.780 -4.726 0.306 1.00 0.00 H new ATOM 0 HB VAL A 131 -6.907 -3.461 -1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -9.041 -2.283 -1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -9.224 -4.050 -0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -9.179 -3.070 0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -6.914 -1.201 -0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -6.929 -1.930 1.178 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -5.529 -2.171 0.107 1.00 0.00 H new ATOM 1557 N THR A 132 -6.160 -4.192 2.678 1.00 0.00 N ATOM 1558 CA THR A 132 -6.319 -3.786 4.064 1.00 0.00 C ATOM 1559 C THR A 132 -6.376 -2.262 4.113 1.00 0.00 C ATOM 1560 O THR A 132 -5.440 -1.593 3.668 1.00 0.00 O ATOM 1561 CB THR A 132 -5.145 -4.293 4.937 1.00 0.00 C ATOM 1562 OG1 THR A 132 -4.966 -5.707 4.748 1.00 0.00 O ATOM 1563 CG2 THR A 132 -5.389 -4.004 6.415 1.00 0.00 C ATOM 0 H THR A 132 -5.190 -4.323 2.391 1.00 0.00 H new ATOM 0 HA THR A 132 -7.237 -4.219 4.460 1.00 0.00 H new ATOM 0 HB THR A 132 -4.244 -3.763 4.627 1.00 0.00 H new ATOM 0 HG1 THR A 132 -4.458 -5.865 3.925 1.00 0.00 H new ATOM 0 HG21 THR A 132 -4.547 -4.372 7.001 1.00 0.00 H new ATOM 0 HG22 THR A 132 -5.492 -2.929 6.563 1.00 0.00 H new ATOM 0 HG23 THR A 132 -6.302 -4.504 6.738 1.00 0.00 H new ATOM 1571 N LEU A 133 -7.465 -1.713 4.638 1.00 0.00 N ATOM 1572 CA LEU A 133 -7.689 -0.270 4.594 1.00 0.00 C ATOM 1573 C LEU A 133 -7.437 0.323 5.979 1.00 0.00 C ATOM 1574 O LEU A 133 -8.166 0.024 6.930 1.00 0.00 O ATOM 1575 CB LEU A 133 -9.130 0.025 4.122 1.00 0.00 C ATOM 1576 CG LEU A 133 -9.347 1.354 3.365 1.00 0.00 C ATOM 1577 CD1 LEU A 133 -10.779 1.443 2.839 1.00 0.00 C ATOM 1578 CD2 LEU A 133 -9.027 2.565 4.242 1.00 0.00 C ATOM 0 H LEU A 133 -8.206 -2.242 5.098 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.999 0.189 3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -9.452 -0.792 3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -9.783 0.018 4.995 1.00 0.00 H new ATOM 0 HG LEU A 133 -8.658 1.366 2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -10.914 2.386 2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -10.969 0.613 2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -11.477 1.394 3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -9.192 3.480 3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -9.675 2.561 5.119 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -7.986 2.519 4.560 1.00 0.00 H new ATOM 1590 N GLU A 134 -6.394 1.139 6.092 1.00 0.00 N ATOM 1591 CA GLU A 134 -6.037 1.775 7.356 1.00 0.00 C ATOM 1592 C GLU A 134 -6.078 3.295 7.208 1.00 0.00 C ATOM 1593 O GLU A 134 -5.869 3.824 6.112 1.00 0.00 O ATOM 1594 CB GLU A 134 -4.642 1.314 7.808 1.00 0.00 C ATOM 1595 CG GLU A 134 -4.213 1.857 9.173 1.00 0.00 C ATOM 1596 CD GLU A 134 -5.139 1.420 10.299 1.00 0.00 C ATOM 1597 OE1 GLU A 134 -6.157 2.104 10.543 1.00 0.00 O ATOM 1598 OE2 GLU A 134 -4.857 0.387 10.944 1.00 0.00 O ATOM 0 H GLU A 134 -5.776 1.377 5.316 1.00 0.00 H new ATOM 0 HA GLU A 134 -6.760 1.480 8.117 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -4.625 0.225 7.841 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -3.910 1.622 7.061 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -3.200 1.520 9.391 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -4.185 2.946 9.133 1.00 0.00 H new ATOM 1605 N GLY A 135 -6.361 3.982 8.309 1.00 0.00 N ATOM 1606 CA GLY A 135 -6.435 5.434 8.296 1.00 0.00 C ATOM 1607 C GLY A 135 -7.843 5.935 8.542 1.00 0.00 C ATOM 1608 O GLY A 135 -8.303 6.863 7.873 1.00 0.00 O ATOM 0 H GLY A 135 -6.542 3.556 9.218 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -5.769 5.837 9.059 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -6.081 5.806 7.334 1.00 0.00 H new ATOM 1612 N GLN A 136 -8.515 5.313 9.516 1.00 0.00 N ATOM 1613 CA GLN A 136 -9.891 5.659 9.889 1.00 0.00 C ATOM 1614 C GLN A 136 -10.883 5.237 8.798 1.00 0.00 C ATOM 1615 O GLN A 136 -10.580 5.282 7.604 1.00 0.00 O ATOM 1616 CB GLN A 136 -10.028 7.163 10.191 1.00 0.00 C ATOM 1617 CG GLN A 136 -9.127 7.650 11.323 1.00 0.00 C ATOM 1618 CD GLN A 136 -9.430 6.976 12.651 1.00 0.00 C ATOM 1619 OE1 GLN A 136 -8.868 5.929 12.977 1.00 0.00 O ATOM 1620 NE2 GLN A 136 -10.325 7.570 13.425 1.00 0.00 N ATOM 0 H GLN A 136 -8.119 4.553 10.070 1.00 0.00 H new ATOM 0 HA GLN A 136 -10.130 5.109 10.799 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -9.798 7.728 9.288 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -11.065 7.380 10.446 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -8.086 7.466 11.057 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -9.242 8.728 11.434 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -10.769 8.436 13.120 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -10.571 7.161 14.327 1.00 0.00 H new ATOM 1629 N MET A 137 -12.067 4.807 9.220 1.00 0.00 N ATOM 1630 CA MET A 137 -13.101 4.361 8.295 1.00 0.00 C ATOM 1631 C MET A 137 -13.988 5.532 7.890 1.00 0.00 C ATOM 1632 O MET A 137 -14.749 6.053 8.708 1.00 0.00 O ATOM 1633 CB MET A 137 -13.950 3.244 8.926 1.00 0.00 C ATOM 1634 CG MET A 137 -13.182 1.959 9.241 1.00 0.00 C ATOM 1635 SD MET A 137 -12.622 1.063 7.766 1.00 0.00 S ATOM 1636 CE MET A 137 -11.066 1.876 7.392 1.00 0.00 C ATOM 0 H MET A 137 -12.335 4.758 10.203 1.00 0.00 H new ATOM 0 HA MET A 137 -12.616 3.963 7.404 1.00 0.00 H new ATOM 0 HB2 MET A 137 -14.395 3.621 9.847 1.00 0.00 H new ATOM 0 HB3 MET A 137 -14.771 3.004 8.250 1.00 0.00 H new ATOM 0 HG2 MET A 137 -12.316 2.205 9.856 1.00 0.00 H new ATOM 0 HG3 MET A 137 -13.818 1.302 9.834 1.00 0.00 H new ATOM 0 HE1 MET A 137 -10.327 1.130 7.098 1.00 0.00 H new ATOM 0 HE2 MET A 137 -11.212 2.583 6.576 1.00 0.00 H new ATOM 0 HE3 MET A 137 -10.712 2.409 8.275 1.00 0.00 H new ATOM 1646 N TYR A 138 -13.869 5.949 6.631 1.00 0.00 N ATOM 1647 CA TYR A 138 -14.683 7.039 6.092 1.00 0.00 C ATOM 1648 C TYR A 138 -16.183 6.710 6.206 1.00 0.00 C ATOM 1649 O TYR A 138 -16.953 7.523 6.721 1.00 0.00 O ATOM 1650 CB TYR A 138 -14.306 7.338 4.629 1.00 0.00 C ATOM 1651 CG TYR A 138 -12.848 7.725 4.424 1.00 0.00 C ATOM 1652 CD1 TYR A 138 -11.858 6.752 4.305 1.00 0.00 C ATOM 1653 CD2 TYR A 138 -12.466 9.060 4.339 1.00 0.00 C ATOM 1654 CE1 TYR A 138 -10.535 7.100 4.108 1.00 0.00 C ATOM 1655 CE2 TYR A 138 -11.143 9.414 4.138 1.00 0.00 C ATOM 1656 CZ TYR A 138 -10.181 8.431 4.025 1.00 0.00 C ATOM 1657 OH TYR A 138 -8.863 8.779 3.820 1.00 0.00 O ATOM 0 H TYR A 138 -13.213 5.547 5.961 1.00 0.00 H new ATOM 0 HA TYR A 138 -14.481 7.931 6.684 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -14.525 6.459 4.023 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -14.939 8.145 4.261 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -12.129 5.708 4.368 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -13.214 9.833 4.431 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.781 6.332 4.019 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -10.865 10.455 4.070 1.00 0.00 H new ATOM 0 HH TYR A 138 -8.784 9.755 3.785 1.00 0.00 H new ATOM 1667 N PRO A 139 -16.630 5.520 5.726 1.00 0.00 N ATOM 1668 CA PRO A 139 -18.026 5.102 5.841 1.00 0.00 C ATOM 1669 C PRO A 139 -18.288 4.294 7.116 1.00 0.00 C ATOM 1670 O PRO A 139 -17.373 4.036 7.906 1.00 0.00 O ATOM 1671 CB PRO A 139 -18.195 4.226 4.600 1.00 0.00 C ATOM 1672 CG PRO A 139 -16.874 3.546 4.445 1.00 0.00 C ATOM 1673 CD PRO A 139 -15.831 4.486 5.021 1.00 0.00 C ATOM 0 HA PRO A 139 -18.719 5.941 5.901 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -19.001 3.504 4.730 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -18.440 4.823 3.722 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -16.866 2.591 4.970 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -16.668 3.335 3.396 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -15.159 3.966 5.704 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -15.213 4.925 4.238 1.00 0.00 H new ATOM 1681 N GLY A 140 -19.540 3.888 7.306 1.00 0.00 N ATOM 1682 CA GLY A 140 -19.904 3.081 8.457 1.00 0.00 C ATOM 1683 C GLY A 140 -20.230 3.926 9.672 1.00 0.00 C ATOM 1684 O GLY A 140 -21.401 4.127 10.000 1.00 0.00 O ATOM 0 H GLY A 140 -20.314 4.106 6.678 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -20.765 2.462 8.206 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -19.084 2.404 8.697 1.00 0.00 H new ATOM 1688 N LYS A 141 -19.197 4.437 10.336 1.00 0.00 N ATOM 1689 CA LYS A 141 -19.378 5.237 11.549 1.00 0.00 C ATOM 1690 C LYS A 141 -19.117 6.715 11.261 1.00 0.00 C ATOM 1691 O LYS A 141 -18.276 7.054 10.421 1.00 0.00 O ATOM 1692 CB LYS A 141 -18.444 4.743 12.665 1.00 0.00 C ATOM 1693 CG LYS A 141 -18.683 5.423 14.011 1.00 0.00 C ATOM 1694 CD LYS A 141 -17.679 4.969 15.069 1.00 0.00 C ATOM 1695 CE LYS A 141 -17.967 5.602 16.426 1.00 0.00 C ATOM 1696 NZ LYS A 141 -16.913 5.291 17.426 1.00 0.00 N ATOM 0 H LYS A 141 -18.224 4.313 10.056 1.00 0.00 H new ATOM 0 HA LYS A 141 -20.410 5.123 11.881 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -18.572 3.667 12.784 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -17.410 4.910 12.362 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -18.616 6.504 13.888 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -19.694 5.204 14.353 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -17.711 3.883 15.159 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -16.670 5.233 14.751 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -18.048 6.683 16.311 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -18.930 5.247 16.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -17.151 5.742 18.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -16.852 4.261 17.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -15.998 5.652 17.089 1.00 0.00 H new TER 1710 LYS A 141