USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 970 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 18 GLN : amide:sc= -2.41 K(o=-3.5,f=-2.1) USER MOD Set 1.2: B 18 GLN : amide:sc= -1.09 K(o=-3.5,f=-4.9!) USER MOD Set 2.1: B 3 LYS NZ :NH3+ 142:sc= -3.52 (180deg=-3.21!) USER MOD Set 2.2: B 4 GLN : amide:sc= -1.06 K(o=-5,f=-10!) USER MOD Set 2.3: B 7 THR OG1 : rot 75:sc= -0.444 USER MOD Set 3.1: A 44 HIS : no HD1:sc= -0.284 K(o=-3.3,f=-5.4!) USER MOD Set 3.2: B 44 HIS : no HE2:sc= -2.99 K(o=-3.3,f=-8.4!) USER MOD Set 4.1: A 34 GLN : amide:sc= -2.19! K(o=-2.8!,f=-5.6) USER MOD Set 4.2: B 52 CYS SG : rot -53:sc= -0.632 USER MOD Set 5.1: A 3 LYS NZ :NH3+ -144:sc= 1 (180deg=-0.751) USER MOD Set 5.2: A 4 GLN : amide:sc= -2.89! C(o=-1.9!,f=-11!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= 1.75! (180deg=0.831!) USER MOD Single : A 2 THR OG1 : rot 54:sc= -0.176 USER MOD Single : A 6 LYS NZ :NH3+ -123:sc= -1.66! (180deg=-3.18!) USER MOD Single : A 7 THR OG1 : rot -171:sc= -0.579 USER MOD Single : A 10 ASN : amide:sc= -1.85 K(o=-1.8,f=-8.7!) USER MOD Single : A 11 MET CE :methyl -179:sc=-0.00116 (180deg=-0.00213) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0361 USER MOD Single : A 19 THR OG1 : rot 87:sc= 0.938 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.056 USER MOD Single : A 25 LYS NZ :NH3+ -161:sc= -1.47! (180deg=-1.78!) USER MOD Single : A 27 ASN : amide:sc= -3.26! K(o=-3.3!,f=-0.24) USER MOD Single : A 38 CYS SG : rot 51:sc= -1.94 USER MOD Single : A 40 SER OG : rot 180:sc= 0.00254 USER MOD Single : A 42 HIS : no HE2:sc= -2.14 K(o=-2.1,f=-3.1!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 101:sc= 1.02 USER MOD Single : A 52 CYS SG : rot 48:sc= -2.09! USER MOD Single : A 62 ASN : amide:sc= -3.6! K(o=-3.6!,f=-0.78) USER MOD Single : B 1 MET CE :methyl 172:sc= -0.107 (180deg=-0.249) USER MOD Single : B 1 MET N :NH3+ -141:sc= -6.22! (180deg=-11.5!) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0.101 USER MOD Single : B 6 LYS NZ :NH3+ -155:sc= -4.6! (180deg=-6.08!) USER MOD Single : B 10 ASN : amide:sc= -1.07 K(o=-1.1,f=-7.5!) USER MOD Single : B 11 MET CE :methyl 142:sc= -1.51! (180deg=-2.62!) USER MOD Single : B 17 SER OG : rot 180:sc= 0.042 USER MOD Single : B 19 THR OG1 : rot 99:sc= 0.964 USER MOD Single : B 21 THR OG1 : rot 180:sc= 0.0785 USER MOD Single : B 25 LYS NZ :NH3+ 147:sc= -3.67! (180deg=-5.03!) USER MOD Single : B 27 ASN : amide:sc= -0.473 X(o=-0.47,f=-0.19) USER MOD Single : B 34 GLN : amide:sc= -3.27 K(o=-3.3,f=-4.8) USER MOD Single : B 38 CYS SG : rot 62:sc= -0.953 USER MOD Single : B 40 SER OG : rot 180:sc= 0.147 USER MOD Single : B 42 HIS : no HE2:sc= -3.82! C(o=-3.8!,f=-3.1!) USER MOD Single : B 49 TYR OH : rot -3:sc= 0.77 USER MOD Single : B 51 SER OG : rot 96:sc= 0.843 USER MOD Single : B 62 ASN : amide:sc= -1.13! K(o=-1.1!,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.963 -3.052 -6.601 1.00 3.37 N ATOM 2 CA MET A 1 -23.928 -3.099 -8.086 1.00 3.57 C ATOM 3 C MET A 1 -22.716 -3.879 -8.578 1.00 3.47 C ATOM 4 O MET A 1 -22.676 -4.270 -9.727 1.00 4.06 O ATOM 5 CB MET A 1 -23.858 -1.691 -8.690 1.00 3.97 C ATOM 6 CG MET A 1 -25.172 -0.951 -8.404 1.00 4.33 C ATOM 7 SD MET A 1 -25.663 -0.707 -6.678 1.00 4.83 S ATOM 8 CE MET A 1 -24.721 0.805 -6.357 1.00 5.37 C ATOM 0 H1 MET A 1 -24.901 -2.731 -6.286 1.00 3.37 H new ATOM 0 H2 MET A 1 -23.776 -4.001 -6.219 1.00 3.37 H new ATOM 0 H3 MET A 1 -23.237 -2.391 -6.257 1.00 3.37 H new ATOM 0 HA MET A 1 -24.847 -3.591 -8.403 1.00 3.57 H new ATOM 0 HB2 MET A 1 -23.018 -1.142 -8.265 1.00 3.97 H new ATOM 0 HB3 MET A 1 -23.688 -1.752 -9.765 1.00 3.97 H new ATOM 0 HG2 MET A 1 -25.110 0.031 -8.874 1.00 4.33 H new ATOM 0 HG3 MET A 1 -25.974 -1.493 -8.904 1.00 4.33 H new ATOM 0 HE1 MET A 1 -24.889 1.127 -5.329 1.00 5.37 H new ATOM 0 HE2 MET A 1 -23.659 0.611 -6.508 1.00 5.37 H new ATOM 0 HE3 MET A 1 -25.047 1.589 -7.041 1.00 5.37 H new ATOM 20 N THR A 2 -21.759 -4.072 -7.716 1.00 2.92 N ATOM 21 CA THR A 2 -20.538 -4.837 -8.064 1.00 2.99 C ATOM 22 C THR A 2 -19.735 -4.074 -9.126 1.00 2.72 C ATOM 23 O THR A 2 -18.810 -4.591 -9.719 1.00 2.84 O ATOM 24 CB THR A 2 -20.984 -6.252 -8.564 1.00 3.22 C ATOM 25 OG1 THR A 2 -21.829 -6.776 -7.546 1.00 3.49 O ATOM 26 CG2 THR A 2 -19.851 -7.287 -8.561 1.00 4.02 C ATOM 0 H THR A 2 -21.776 -3.720 -6.759 1.00 2.92 H new ATOM 0 HA THR A 2 -19.886 -4.959 -7.199 1.00 2.99 H new ATOM 0 HB THR A 2 -21.398 -6.118 -9.563 1.00 3.22 H new ATOM 0 HG1 THR A 2 -22.550 -6.139 -7.359 1.00 3.49 H new ATOM 0 HG21 THR A 2 -20.231 -8.244 -8.919 1.00 4.02 H new ATOM 0 HG22 THR A 2 -19.047 -6.948 -9.215 1.00 4.02 H new ATOM 0 HG23 THR A 2 -19.469 -7.405 -7.547 1.00 4.02 H new ATOM 34 N LYS A 3 -20.117 -2.850 -9.327 1.00 2.63 N ATOM 35 CA LYS A 3 -19.433 -1.999 -10.335 1.00 2.60 C ATOM 36 C LYS A 3 -18.264 -1.239 -9.691 1.00 2.17 C ATOM 37 O LYS A 3 -17.224 -1.803 -9.411 1.00 2.07 O ATOM 38 CB LYS A 3 -20.501 -1.042 -10.924 1.00 3.03 C ATOM 39 CG LYS A 3 -19.923 -0.154 -12.051 1.00 3.61 C ATOM 40 CD LYS A 3 -21.069 0.703 -12.617 1.00 3.98 C ATOM 41 CE LYS A 3 -20.495 1.701 -13.640 1.00 4.65 C ATOM 42 NZ LYS A 3 -19.489 2.597 -12.998 1.00 4.95 N ATOM 0 H LYS A 3 -20.883 -2.396 -8.831 1.00 2.63 H new ATOM 0 HA LYS A 3 -19.001 -2.600 -11.135 1.00 2.60 H new ATOM 0 HB2 LYS A 3 -21.335 -1.625 -11.314 1.00 3.03 H new ATOM 0 HB3 LYS A 3 -20.898 -0.409 -10.131 1.00 3.03 H new ATOM 0 HG2 LYS A 3 -19.127 0.482 -11.664 1.00 3.61 H new ATOM 0 HG3 LYS A 3 -19.485 -0.771 -12.836 1.00 3.61 H new ATOM 0 HD2 LYS A 3 -21.816 0.066 -13.091 1.00 3.98 H new ATOM 0 HD3 LYS A 3 -21.572 1.238 -11.811 1.00 3.98 H new ATOM 0 HE2 LYS A 3 -20.032 1.158 -14.464 1.00 4.65 H new ATOM 0 HE3 LYS A 3 -21.302 2.298 -14.065 1.00 4.65 H new ATOM 0 HZ1 LYS A 3 -19.559 3.549 -13.410 1.00 4.95 H new ATOM 0 HZ2 LYS A 3 -19.672 2.648 -11.975 1.00 4.95 H new ATOM 0 HZ3 LYS A 3 -18.534 2.219 -13.160 1.00 4.95 H new ATOM 56 N GLN A 4 -18.467 0.032 -9.465 1.00 2.02 N ATOM 57 CA GLN A 4 -17.387 0.867 -8.873 1.00 1.74 C ATOM 58 C GLN A 4 -16.986 0.343 -7.517 1.00 1.34 C ATOM 59 O GLN A 4 -15.863 0.500 -7.084 1.00 1.25 O ATOM 60 CB GLN A 4 -17.841 2.336 -8.707 1.00 1.87 C ATOM 61 CG GLN A 4 -19.222 2.456 -8.036 1.00 2.66 C ATOM 62 CD GLN A 4 -20.320 2.231 -9.077 1.00 3.34 C ATOM 63 OE1 GLN A 4 -20.162 2.567 -10.236 1.00 3.63 O ATOM 64 NE2 GLN A 4 -21.439 1.668 -8.715 1.00 4.09 N ATOM 0 H GLN A 4 -19.336 0.526 -9.666 1.00 2.02 H new ATOM 0 HA GLN A 4 -16.540 0.821 -9.557 1.00 1.74 H new ATOM 0 HB2 GLN A 4 -17.104 2.875 -8.112 1.00 1.87 H new ATOM 0 HB3 GLN A 4 -17.873 2.815 -9.685 1.00 1.87 H new ATOM 0 HG2 GLN A 4 -19.312 1.724 -7.233 1.00 2.66 H new ATOM 0 HG3 GLN A 4 -19.333 3.441 -7.583 1.00 2.66 H new ATOM 0 HE21 GLN A 4 -21.577 1.384 -7.745 1.00 4.09 H new ATOM 0 HE22 GLN A 4 -22.177 1.511 -9.402 1.00 4.09 H new ATOM 73 N GLU A 5 -17.934 -0.270 -6.882 1.00 1.21 N ATOM 74 CA GLU A 5 -17.670 -0.825 -5.546 1.00 0.96 C ATOM 75 C GLU A 5 -16.510 -1.799 -5.664 1.00 0.95 C ATOM 76 O GLU A 5 -15.631 -1.860 -4.825 1.00 0.82 O ATOM 77 CB GLU A 5 -18.954 -1.510 -5.068 1.00 1.13 C ATOM 78 CG GLU A 5 -19.631 -2.256 -6.211 1.00 1.56 C ATOM 79 CD GLU A 5 -20.841 -1.449 -6.654 1.00 1.97 C ATOM 80 OE1 GLU A 5 -21.851 -1.596 -5.999 1.00 2.36 O ATOM 81 OE2 GLU A 5 -20.704 -0.729 -7.623 1.00 2.53 O ATOM 0 H GLU A 5 -18.881 -0.409 -7.235 1.00 1.21 H new ATOM 0 HA GLU A 5 -17.396 -0.059 -4.820 1.00 0.96 H new ATOM 0 HB2 GLU A 5 -18.721 -2.206 -4.262 1.00 1.13 H new ATOM 0 HB3 GLU A 5 -19.637 -0.766 -4.659 1.00 1.13 H new ATOM 0 HG2 GLU A 5 -18.938 -2.389 -7.042 1.00 1.56 H new ATOM 0 HG3 GLU A 5 -19.936 -3.251 -5.888 1.00 1.56 H new ATOM 88 N LYS A 6 -16.532 -2.550 -6.726 1.00 1.22 N ATOM 89 CA LYS A 6 -15.441 -3.527 -6.901 1.00 1.36 C ATOM 90 C LYS A 6 -14.211 -2.794 -7.359 1.00 1.20 C ATOM 91 O LYS A 6 -13.115 -3.239 -7.105 1.00 1.18 O ATOM 92 CB LYS A 6 -15.772 -4.561 -7.962 1.00 1.75 C ATOM 93 CG LYS A 6 -16.058 -5.940 -7.327 1.00 2.49 C ATOM 94 CD LYS A 6 -17.449 -6.036 -6.697 1.00 2.98 C ATOM 95 CE LYS A 6 -17.557 -5.334 -5.323 1.00 3.67 C ATOM 96 NZ LYS A 6 -18.857 -5.635 -4.672 1.00 3.78 N ATOM 0 H LYS A 6 -17.240 -2.529 -7.460 1.00 1.22 H new ATOM 0 HA LYS A 6 -15.291 -4.032 -5.947 1.00 1.36 H new ATOM 0 HB2 LYS A 6 -16.640 -4.234 -8.534 1.00 1.75 H new ATOM 0 HB3 LYS A 6 -14.942 -4.645 -8.663 1.00 1.75 H new ATOM 0 HG2 LYS A 6 -15.958 -6.712 -8.090 1.00 2.49 H new ATOM 0 HG3 LYS A 6 -15.306 -6.145 -6.565 1.00 2.49 H new ATOM 0 HD2 LYS A 6 -18.178 -5.597 -7.378 1.00 2.98 H new ATOM 0 HD3 LYS A 6 -17.714 -7.087 -6.580 1.00 2.98 H new ATOM 0 HE2 LYS A 6 -16.740 -5.660 -4.679 1.00 3.67 H new ATOM 0 HE3 LYS A 6 -17.452 -4.257 -5.452 1.00 3.67 H new ATOM 0 HZ1 LYS A 6 -19.355 -4.746 -4.464 1.00 3.78 H new ATOM 0 HZ2 LYS A 6 -19.438 -6.217 -5.309 1.00 3.78 H new ATOM 0 HZ3 LYS A 6 -18.690 -6.153 -3.786 1.00 3.78 H new ATOM 110 N THR A 7 -14.396 -1.694 -8.021 1.00 1.23 N ATOM 111 CA THR A 7 -13.193 -0.977 -8.483 1.00 1.25 C ATOM 112 C THR A 7 -12.381 -0.564 -7.252 1.00 0.98 C ATOM 113 O THR A 7 -11.188 -0.778 -7.191 1.00 0.93 O ATOM 114 CB THR A 7 -13.664 0.225 -9.289 1.00 1.53 C ATOM 115 OG1 THR A 7 -14.629 -0.320 -10.184 1.00 1.77 O ATOM 116 CG2 THR A 7 -12.546 0.743 -10.204 1.00 1.82 C ATOM 0 H THR A 7 -15.296 -1.274 -8.255 1.00 1.23 H new ATOM 0 HA THR A 7 -12.553 -1.593 -9.115 1.00 1.25 H new ATOM 0 HB THR A 7 -14.007 1.020 -8.627 1.00 1.53 H new ATOM 0 HG1 THR A 7 -14.886 0.360 -10.842 1.00 1.77 H new ATOM 0 HG21 THR A 7 -12.907 1.602 -10.769 1.00 1.82 H new ATOM 0 HG22 THR A 7 -11.690 1.041 -9.599 1.00 1.82 H new ATOM 0 HG23 THR A 7 -12.246 -0.046 -10.894 1.00 1.82 H new ATOM 124 N ALA A 8 -13.039 0.015 -6.288 1.00 0.87 N ATOM 125 CA ALA A 8 -12.283 0.436 -5.081 1.00 0.79 C ATOM 126 C ALA A 8 -11.707 -0.805 -4.433 1.00 0.62 C ATOM 127 O ALA A 8 -10.575 -0.834 -3.992 1.00 0.70 O ATOM 128 CB ALA A 8 -13.212 1.125 -4.090 1.00 0.81 C ATOM 0 H ALA A 8 -14.040 0.210 -6.282 1.00 0.87 H new ATOM 0 HA ALA A 8 -11.494 1.132 -5.365 1.00 0.79 H new ATOM 0 HB1 ALA A 8 -12.645 1.428 -3.210 1.00 0.81 H new ATOM 0 HB2 ALA A 8 -13.655 2.005 -4.557 1.00 0.81 H new ATOM 0 HB3 ALA A 8 -14.002 0.436 -3.792 1.00 0.81 H new ATOM 134 N LEU A 9 -12.529 -1.810 -4.401 1.00 0.59 N ATOM 135 CA LEU A 9 -12.106 -3.093 -3.788 1.00 0.73 C ATOM 136 C LEU A 9 -10.903 -3.632 -4.558 1.00 0.60 C ATOM 137 O LEU A 9 -10.072 -4.341 -4.024 1.00 0.61 O ATOM 138 CB LEU A 9 -13.305 -4.047 -3.866 1.00 1.09 C ATOM 139 CG LEU A 9 -13.061 -5.395 -3.177 1.00 1.65 C ATOM 140 CD1 LEU A 9 -12.782 -5.199 -1.680 1.00 1.96 C ATOM 141 CD2 LEU A 9 -14.321 -6.256 -3.340 1.00 2.37 C ATOM 0 H LEU A 9 -13.478 -1.798 -4.774 1.00 0.59 H new ATOM 0 HA LEU A 9 -11.806 -2.975 -2.747 1.00 0.73 H new ATOM 0 HB2 LEU A 9 -14.171 -3.567 -3.411 1.00 1.09 H new ATOM 0 HB3 LEU A 9 -13.552 -4.223 -4.913 1.00 1.09 H new ATOM 0 HG LEU A 9 -12.196 -5.878 -3.632 1.00 1.65 H new ATOM 0 HD11 LEU A 9 -12.612 -6.168 -1.212 1.00 1.96 H new ATOM 0 HD12 LEU A 9 -11.898 -4.575 -1.553 1.00 1.96 H new ATOM 0 HD13 LEU A 9 -13.638 -4.715 -1.211 1.00 1.96 H new ATOM 0 HD21 LEU A 9 -14.168 -7.221 -2.856 1.00 2.37 H new ATOM 0 HD22 LEU A 9 -15.170 -5.750 -2.880 1.00 2.37 H new ATOM 0 HD23 LEU A 9 -14.522 -6.410 -4.400 1.00 2.37 H new ATOM 153 N ASN A 10 -10.830 -3.278 -5.807 1.00 0.60 N ATOM 154 CA ASN A 10 -9.699 -3.771 -6.632 1.00 0.63 C ATOM 155 C ASN A 10 -8.482 -2.960 -6.305 1.00 0.57 C ATOM 156 O ASN A 10 -7.387 -3.474 -6.345 1.00 0.57 O ATOM 157 CB ASN A 10 -9.964 -3.614 -8.130 1.00 0.76 C ATOM 158 CG ASN A 10 -11.105 -4.535 -8.572 1.00 1.34 C ATOM 159 OD1 ASN A 10 -11.368 -5.554 -7.961 1.00 1.67 O ATOM 160 ND2 ASN A 10 -11.810 -4.220 -9.626 1.00 2.15 N ATOM 0 H ASN A 10 -11.497 -2.675 -6.288 1.00 0.60 H new ATOM 0 HA ASN A 10 -9.565 -4.830 -6.409 1.00 0.63 H new ATOM 0 HB2 ASN A 10 -10.218 -2.578 -8.354 1.00 0.76 H new ATOM 0 HB3 ASN A 10 -9.060 -3.849 -8.692 1.00 0.76 H new ATOM 0 HD21 ASN A 10 -12.572 -4.826 -9.929 1.00 2.15 H new ATOM 0 HD22 ASN A 10 -11.598 -3.368 -10.145 1.00 2.15 H new ATOM 167 N MET A 11 -8.684 -1.714 -5.992 1.00 0.60 N ATOM 168 CA MET A 11 -7.498 -0.882 -5.673 1.00 0.65 C ATOM 169 C MET A 11 -6.846 -1.395 -4.412 1.00 0.62 C ATOM 170 O MET A 11 -5.653 -1.608 -4.371 1.00 0.68 O ATOM 171 CB MET A 11 -7.897 0.572 -5.446 1.00 0.77 C ATOM 172 CG MET A 11 -8.388 1.163 -6.765 1.00 1.18 C ATOM 173 SD MET A 11 -7.227 1.119 -8.154 1.00 1.98 S ATOM 174 CE MET A 11 -6.212 2.541 -7.681 1.00 2.42 C ATOM 0 H MET A 11 -9.590 -1.247 -5.944 1.00 0.60 H new ATOM 0 HA MET A 11 -6.809 -0.940 -6.516 1.00 0.65 H new ATOM 0 HB2 MET A 11 -8.680 0.634 -4.691 1.00 0.77 H new ATOM 0 HB3 MET A 11 -7.047 1.142 -5.071 1.00 0.77 H new ATOM 0 HG2 MET A 11 -9.293 0.632 -7.060 1.00 1.18 H new ATOM 0 HG3 MET A 11 -8.670 2.201 -6.589 1.00 1.18 H new ATOM 0 HE1 MET A 11 -5.435 2.698 -8.429 1.00 2.42 H new ATOM 0 HE2 MET A 11 -6.839 3.430 -7.616 1.00 2.42 H new ATOM 0 HE3 MET A 11 -5.750 2.352 -6.712 1.00 2.42 H new ATOM 184 N ALA A 12 -7.636 -1.588 -3.399 1.00 0.58 N ATOM 185 CA ALA A 12 -7.031 -2.080 -2.133 1.00 0.62 C ATOM 186 C ALA A 12 -6.393 -3.432 -2.381 1.00 0.56 C ATOM 187 O ALA A 12 -5.310 -3.725 -1.914 1.00 0.57 O ATOM 188 CB ALA A 12 -8.105 -2.226 -1.067 1.00 0.67 C ATOM 0 H ALA A 12 -8.644 -1.433 -3.387 1.00 0.58 H new ATOM 0 HA ALA A 12 -6.280 -1.367 -1.793 1.00 0.62 H new ATOM 0 HB1 ALA A 12 -7.654 -2.587 -0.143 1.00 0.67 H new ATOM 0 HB2 ALA A 12 -8.574 -1.258 -0.888 1.00 0.67 H new ATOM 0 HB3 ALA A 12 -8.858 -2.938 -1.405 1.00 0.67 H new ATOM 194 N ARG A 13 -7.095 -4.236 -3.123 1.00 0.53 N ATOM 195 CA ARG A 13 -6.556 -5.587 -3.406 1.00 0.50 C ATOM 196 C ARG A 13 -5.282 -5.444 -4.221 1.00 0.49 C ATOM 197 O ARG A 13 -4.364 -6.230 -4.099 1.00 0.51 O ATOM 198 CB ARG A 13 -7.597 -6.375 -4.193 1.00 0.51 C ATOM 199 CG ARG A 13 -7.208 -7.850 -4.305 1.00 0.61 C ATOM 200 CD ARG A 13 -8.392 -8.600 -4.946 1.00 1.07 C ATOM 201 NE ARG A 13 -8.817 -7.865 -6.169 1.00 1.86 N ATOM 202 CZ ARG A 13 -10.101 -7.659 -6.358 1.00 2.52 C ATOM 203 NH1 ARG A 13 -10.696 -6.740 -5.629 1.00 3.08 N ATOM 204 NH2 ARG A 13 -10.726 -8.383 -7.262 1.00 3.15 N ATOM 0 H ARG A 13 -8.002 -4.021 -3.538 1.00 0.53 H new ATOM 0 HA ARG A 13 -6.332 -6.113 -2.478 1.00 0.50 H new ATOM 0 HB2 ARG A 13 -8.568 -6.289 -3.705 1.00 0.51 H new ATOM 0 HB3 ARG A 13 -7.703 -5.948 -5.190 1.00 0.51 H new ATOM 0 HG2 ARG A 13 -6.310 -7.964 -4.912 1.00 0.61 H new ATOM 0 HG3 ARG A 13 -6.982 -8.262 -3.321 1.00 0.61 H new ATOM 0 HD2 ARG A 13 -8.101 -9.619 -5.200 1.00 1.07 H new ATOM 0 HD3 ARG A 13 -9.220 -8.671 -4.241 1.00 1.07 H new ATOM 0 HE ARG A 13 -8.129 -7.530 -6.843 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -10.162 -6.210 -4.940 1.00 3.08 H new ATOM 0 HH12 ARG A 13 -11.692 -6.557 -5.752 1.00 3.08 H new ATOM 0 HH21 ARG A 13 -10.214 -9.085 -7.797 1.00 3.15 H new ATOM 0 HH22 ARG A 13 -11.723 -8.243 -7.428 1.00 3.15 H new ATOM 218 N PHE A 14 -5.255 -4.433 -5.033 1.00 0.52 N ATOM 219 CA PHE A 14 -4.065 -4.238 -5.888 1.00 0.54 C ATOM 220 C PHE A 14 -2.883 -3.809 -5.054 1.00 0.57 C ATOM 221 O PHE A 14 -1.792 -4.299 -5.245 1.00 0.59 O ATOM 222 CB PHE A 14 -4.355 -3.171 -6.939 1.00 0.62 C ATOM 223 CG PHE A 14 -3.072 -2.884 -7.719 1.00 1.17 C ATOM 224 CD1 PHE A 14 -2.375 -3.902 -8.346 1.00 2.02 C ATOM 225 CD2 PHE A 14 -2.597 -1.591 -7.801 1.00 1.81 C ATOM 226 CE1 PHE A 14 -1.220 -3.625 -9.044 1.00 2.69 C ATOM 227 CE2 PHE A 14 -1.442 -1.314 -8.498 1.00 2.50 C ATOM 228 CZ PHE A 14 -0.753 -2.332 -9.121 1.00 2.71 C ATOM 0 H PHE A 14 -5.997 -3.741 -5.141 1.00 0.52 H new ATOM 0 HA PHE A 14 -3.830 -5.183 -6.378 1.00 0.54 H new ATOM 0 HB2 PHE A 14 -5.139 -3.511 -7.615 1.00 0.62 H new ATOM 0 HB3 PHE A 14 -4.718 -2.261 -6.462 1.00 0.62 H new ATOM 0 HD1 PHE A 14 -2.738 -4.918 -8.288 1.00 2.02 H new ATOM 0 HD2 PHE A 14 -3.135 -0.790 -7.315 1.00 1.81 H new ATOM 0 HE1 PHE A 14 -0.680 -4.423 -9.532 1.00 2.69 H new ATOM 0 HE2 PHE A 14 -1.076 -0.299 -8.556 1.00 2.50 H new ATOM 0 HZ PHE A 14 0.152 -2.116 -9.669 1.00 2.71 H new ATOM 238 N ILE A 15 -3.106 -2.907 -4.144 1.00 0.58 N ATOM 239 CA ILE A 15 -1.957 -2.467 -3.327 1.00 0.63 C ATOM 240 C ILE A 15 -1.416 -3.665 -2.584 1.00 0.59 C ATOM 241 O ILE A 15 -0.220 -3.782 -2.412 1.00 0.62 O ATOM 242 CB ILE A 15 -2.419 -1.382 -2.345 1.00 0.69 C ATOM 243 CG1 ILE A 15 -2.800 -0.155 -3.199 1.00 0.79 C ATOM 244 CG2 ILE A 15 -1.260 -1.028 -1.398 1.00 0.82 C ATOM 245 CD1 ILE A 15 -3.140 1.039 -2.313 1.00 0.93 C ATOM 0 H ILE A 15 -4.004 -2.470 -3.937 1.00 0.58 H new ATOM 0 HA ILE A 15 -1.172 -2.049 -3.957 1.00 0.63 H new ATOM 0 HB ILE A 15 -3.263 -1.715 -1.741 1.00 0.69 H new ATOM 0 HG12 ILE A 15 -1.974 0.102 -3.862 1.00 0.79 H new ATOM 0 HG13 ILE A 15 -3.653 -0.398 -3.832 1.00 0.79 H new ATOM 0 HG21 ILE A 15 -1.584 -0.257 -0.699 1.00 0.82 H new ATOM 0 HG22 ILE A 15 -0.958 -1.917 -0.844 1.00 0.82 H new ATOM 0 HG23 ILE A 15 -0.415 -0.658 -1.979 1.00 0.82 H new ATOM 0 HD11 ILE A 15 -3.405 1.892 -2.938 1.00 0.93 H new ATOM 0 HD12 ILE A 15 -3.982 0.786 -1.668 1.00 0.93 H new ATOM 0 HD13 ILE A 15 -2.276 1.294 -1.699 1.00 0.93 H new ATOM 257 N ARG A 16 -2.288 -4.530 -2.157 1.00 0.58 N ATOM 258 CA ARG A 16 -1.762 -5.711 -1.433 1.00 0.58 C ATOM 259 C ARG A 16 -0.817 -6.422 -2.390 1.00 0.55 C ATOM 260 O ARG A 16 0.273 -6.812 -2.021 1.00 0.56 O ATOM 261 CB ARG A 16 -2.908 -6.649 -1.048 1.00 0.60 C ATOM 262 CG ARG A 16 -2.314 -7.823 -0.260 1.00 0.82 C ATOM 263 CD ARG A 16 -3.428 -8.817 0.069 1.00 1.04 C ATOM 264 NE ARG A 16 -4.482 -8.123 0.848 1.00 1.57 N ATOM 265 CZ ARG A 16 -5.722 -8.482 0.632 1.00 2.08 C ATOM 266 NH1 ARG A 16 -6.363 -7.897 -0.357 1.00 2.60 N ATOM 267 NH2 ARG A 16 -6.245 -9.404 1.409 1.00 2.68 N ATOM 0 H ARG A 16 -3.300 -4.476 -2.271 1.00 0.58 H new ATOM 0 HA ARG A 16 -1.252 -5.412 -0.518 1.00 0.58 H new ATOM 0 HB2 ARG A 16 -3.647 -6.121 -0.446 1.00 0.60 H new ATOM 0 HB3 ARG A 16 -3.422 -7.009 -1.939 1.00 0.60 H new ATOM 0 HG2 ARG A 16 -1.534 -8.312 -0.844 1.00 0.82 H new ATOM 0 HG3 ARG A 16 -1.848 -7.463 0.657 1.00 0.82 H new ATOM 0 HD2 ARG A 16 -3.848 -9.229 -0.849 1.00 1.04 H new ATOM 0 HD3 ARG A 16 -3.028 -9.655 0.640 1.00 1.04 H new ATOM 0 HE ARG A 16 -4.250 -7.396 1.524 1.00 1.57 H new ATOM 0 HH11 ARG A 16 -5.892 -7.191 -0.923 1.00 2.60 H new ATOM 0 HH12 ARG A 16 -7.331 -8.149 -0.557 1.00 2.60 H new ATOM 0 HH21 ARG A 16 -5.687 -9.819 2.155 1.00 2.68 H new ATOM 0 HH22 ARG A 16 -7.209 -9.705 1.266 1.00 2.68 H new ATOM 281 N SER A 17 -1.262 -6.565 -3.602 1.00 0.57 N ATOM 282 CA SER A 17 -0.410 -7.252 -4.595 1.00 0.60 C ATOM 283 C SER A 17 0.918 -6.517 -4.753 1.00 0.56 C ATOM 284 O SER A 17 1.958 -7.140 -4.803 1.00 0.55 O ATOM 285 CB SER A 17 -1.171 -7.286 -5.903 1.00 0.68 C ATOM 286 OG SER A 17 -2.452 -7.729 -5.472 1.00 0.72 O ATOM 0 H SER A 17 -2.167 -6.240 -3.942 1.00 0.57 H new ATOM 0 HA SER A 17 -0.180 -8.267 -4.270 1.00 0.60 H new ATOM 0 HB2 SER A 17 -1.214 -6.306 -6.379 1.00 0.68 H new ATOM 0 HB3 SER A 17 -0.721 -7.970 -6.622 1.00 0.68 H new ATOM 0 HG SER A 17 -3.053 -7.792 -6.244 1.00 0.72 H new ATOM 292 N GLN A 18 0.874 -5.216 -4.821 1.00 0.57 N ATOM 293 CA GLN A 18 2.160 -4.496 -4.986 1.00 0.57 C ATOM 294 C GLN A 18 3.032 -4.800 -3.789 1.00 0.51 C ATOM 295 O GLN A 18 4.221 -4.988 -3.923 1.00 0.51 O ATOM 296 CB GLN A 18 1.949 -2.981 -5.051 1.00 0.65 C ATOM 297 CG GLN A 18 1.112 -2.627 -6.274 1.00 0.91 C ATOM 298 CD GLN A 18 1.216 -1.114 -6.483 1.00 1.11 C ATOM 299 OE1 GLN A 18 1.295 -0.638 -7.598 1.00 1.80 O ATOM 300 NE2 GLN A 18 1.226 -0.316 -5.451 1.00 1.05 N ATOM 0 H GLN A 18 0.034 -4.639 -4.771 1.00 0.57 H new ATOM 0 HA GLN A 18 2.623 -4.824 -5.917 1.00 0.57 H new ATOM 0 HB2 GLN A 18 1.450 -2.635 -4.146 1.00 0.65 H new ATOM 0 HB3 GLN A 18 2.912 -2.472 -5.099 1.00 0.65 H new ATOM 0 HG2 GLN A 18 1.473 -3.161 -7.153 1.00 0.91 H new ATOM 0 HG3 GLN A 18 0.073 -2.923 -6.126 1.00 0.91 H new ATOM 0 HE21 GLN A 18 1.160 -0.700 -4.508 1.00 1.05 H new ATOM 0 HE22 GLN A 18 1.299 0.692 -5.587 1.00 1.05 H new ATOM 309 N THR A 19 2.421 -4.846 -2.645 1.00 0.48 N ATOM 310 CA THR A 19 3.210 -5.125 -1.435 1.00 0.44 C ATOM 311 C THR A 19 3.773 -6.541 -1.515 1.00 0.43 C ATOM 312 O THR A 19 4.831 -6.818 -0.990 1.00 0.46 O ATOM 313 CB THR A 19 2.282 -4.952 -0.249 1.00 0.46 C ATOM 314 OG1 THR A 19 1.727 -3.658 -0.455 1.00 0.56 O ATOM 315 CG2 THR A 19 3.097 -4.844 1.039 1.00 0.48 C ATOM 0 H THR A 19 1.421 -4.704 -2.501 1.00 0.48 H new ATOM 0 HA THR A 19 4.057 -4.447 -1.335 1.00 0.44 H new ATOM 0 HB THR A 19 1.567 -5.771 -0.169 1.00 0.46 H new ATOM 0 HG1 THR A 19 0.936 -3.729 -1.029 1.00 0.56 H new ATOM 0 HG21 THR A 19 2.423 -4.720 1.887 1.00 0.48 H new ATOM 0 HG22 THR A 19 3.686 -5.751 1.174 1.00 0.48 H new ATOM 0 HG23 THR A 19 3.764 -3.984 0.977 1.00 0.48 H new ATOM 323 N LEU A 20 3.065 -7.416 -2.165 1.00 0.45 N ATOM 324 CA LEU A 20 3.591 -8.800 -2.247 1.00 0.51 C ATOM 325 C LEU A 20 4.827 -8.699 -3.123 1.00 0.53 C ATOM 326 O LEU A 20 5.918 -9.043 -2.717 1.00 0.57 O ATOM 327 CB LEU A 20 2.518 -9.709 -2.887 1.00 0.57 C ATOM 328 CG LEU A 20 2.822 -11.236 -2.769 1.00 0.69 C ATOM 329 CD1 LEU A 20 4.084 -11.648 -3.559 1.00 1.31 C ATOM 330 CD2 LEU A 20 3.002 -11.648 -1.289 1.00 1.25 C ATOM 0 H LEU A 20 2.174 -7.242 -2.629 1.00 0.45 H new ATOM 0 HA LEU A 20 3.835 -9.228 -1.275 1.00 0.51 H new ATOM 0 HB2 LEU A 20 1.556 -9.504 -2.417 1.00 0.57 H new ATOM 0 HB3 LEU A 20 2.419 -9.450 -3.941 1.00 0.57 H new ATOM 0 HG LEU A 20 1.964 -11.753 -3.199 1.00 0.69 H new ATOM 0 HD11 LEU A 20 4.252 -12.719 -3.444 1.00 1.31 H new ATOM 0 HD12 LEU A 20 3.945 -11.413 -4.614 1.00 1.31 H new ATOM 0 HD13 LEU A 20 4.947 -11.103 -3.176 1.00 1.31 H new ATOM 0 HD21 LEU A 20 3.213 -12.716 -1.232 1.00 1.25 H new ATOM 0 HD22 LEU A 20 3.832 -11.090 -0.854 1.00 1.25 H new ATOM 0 HD23 LEU A 20 2.088 -11.428 -0.736 1.00 1.25 H new ATOM 342 N THR A 21 4.631 -8.216 -4.312 1.00 0.59 N ATOM 343 CA THR A 21 5.779 -8.103 -5.233 1.00 0.70 C ATOM 344 C THR A 21 6.855 -7.203 -4.619 1.00 0.63 C ATOM 345 O THR A 21 8.009 -7.259 -4.995 1.00 0.69 O ATOM 346 CB THR A 21 5.231 -7.539 -6.528 1.00 0.85 C ATOM 347 OG1 THR A 21 4.040 -8.293 -6.720 1.00 0.87 O ATOM 348 CG2 THR A 21 6.121 -7.928 -7.718 1.00 1.02 C ATOM 0 H THR A 21 3.734 -7.898 -4.680 1.00 0.59 H new ATOM 0 HA THR A 21 6.255 -9.066 -5.418 1.00 0.70 H new ATOM 0 HB THR A 21 5.133 -6.455 -6.476 1.00 0.85 H new ATOM 0 HG1 THR A 21 3.598 -8.002 -7.545 1.00 0.87 H new ATOM 0 HG21 THR A 21 5.705 -7.511 -8.635 1.00 1.02 H new ATOM 0 HG22 THR A 21 7.126 -7.536 -7.564 1.00 1.02 H new ATOM 0 HG23 THR A 21 6.164 -9.014 -7.801 1.00 1.02 H new ATOM 356 N LEU A 22 6.460 -6.388 -3.684 1.00 0.54 N ATOM 357 CA LEU A 22 7.464 -5.496 -3.068 1.00 0.52 C ATOM 358 C LEU A 22 8.300 -6.387 -2.180 1.00 0.45 C ATOM 359 O LEU A 22 9.507 -6.294 -2.185 1.00 0.49 O ATOM 360 CB LEU A 22 6.757 -4.409 -2.238 1.00 0.59 C ATOM 361 CG LEU A 22 7.759 -3.388 -1.660 1.00 0.89 C ATOM 362 CD1 LEU A 22 8.518 -2.668 -2.791 1.00 1.71 C ATOM 363 CD2 LEU A 22 6.987 -2.339 -0.840 1.00 1.25 C ATOM 0 H LEU A 22 5.507 -6.304 -3.329 1.00 0.54 H new ATOM 0 HA LEU A 22 8.077 -4.986 -3.811 1.00 0.52 H new ATOM 0 HB2 LEU A 22 6.029 -3.891 -2.862 1.00 0.59 H new ATOM 0 HB3 LEU A 22 6.203 -4.876 -1.424 1.00 0.59 H new ATOM 0 HG LEU A 22 8.476 -3.918 -1.033 1.00 0.89 H new ATOM 0 HD11 LEU A 22 9.219 -1.953 -2.361 1.00 1.71 H new ATOM 0 HD12 LEU A 22 9.065 -3.400 -3.385 1.00 1.71 H new ATOM 0 HD13 LEU A 22 7.808 -2.141 -3.428 1.00 1.71 H new ATOM 0 HD21 LEU A 22 7.687 -1.613 -0.427 1.00 1.25 H new ATOM 0 HD22 LEU A 22 6.272 -1.828 -1.484 1.00 1.25 H new ATOM 0 HD23 LEU A 22 6.455 -2.833 -0.027 1.00 1.25 H new ATOM 375 N LEU A 23 7.630 -7.231 -1.447 1.00 0.43 N ATOM 376 CA LEU A 23 8.339 -8.158 -0.526 1.00 0.44 C ATOM 377 C LEU A 23 9.431 -8.813 -1.352 1.00 0.48 C ATOM 378 O LEU A 23 10.581 -8.846 -0.963 1.00 0.52 O ATOM 379 CB LEU A 23 7.319 -9.201 0.004 1.00 0.53 C ATOM 380 CG LEU A 23 7.838 -10.121 1.146 1.00 0.73 C ATOM 381 CD1 LEU A 23 8.897 -11.128 0.666 1.00 1.08 C ATOM 382 CD2 LEU A 23 8.404 -9.284 2.302 1.00 1.05 C ATOM 0 H LEU A 23 6.614 -7.318 -1.447 1.00 0.43 H new ATOM 0 HA LEU A 23 8.774 -7.654 0.337 1.00 0.44 H new ATOM 0 HB2 LEU A 23 6.435 -8.671 0.360 1.00 0.53 H new ATOM 0 HB3 LEU A 23 7.001 -9.828 -0.829 1.00 0.53 H new ATOM 0 HG LEU A 23 6.978 -10.694 1.494 1.00 0.73 H new ATOM 0 HD11 LEU A 23 9.222 -11.742 1.506 1.00 1.08 H new ATOM 0 HD12 LEU A 23 8.468 -11.766 -0.106 1.00 1.08 H new ATOM 0 HD13 LEU A 23 9.752 -10.590 0.258 1.00 1.08 H new ATOM 0 HD21 LEU A 23 8.761 -9.947 3.090 1.00 1.05 H new ATOM 0 HD22 LEU A 23 9.231 -8.674 1.939 1.00 1.05 H new ATOM 0 HD23 LEU A 23 7.622 -8.637 2.699 1.00 1.05 H new ATOM 394 N GLU A 24 9.025 -9.307 -2.484 1.00 0.57 N ATOM 395 CA GLU A 24 9.985 -9.991 -3.382 1.00 0.71 C ATOM 396 C GLU A 24 11.220 -9.148 -3.650 1.00 0.67 C ATOM 397 O GLU A 24 12.317 -9.490 -3.262 1.00 0.69 O ATOM 398 CB GLU A 24 9.341 -10.269 -4.716 1.00 0.90 C ATOM 399 CG GLU A 24 8.095 -11.117 -4.572 1.00 1.37 C ATOM 400 CD GLU A 24 7.439 -11.145 -5.949 1.00 1.52 C ATOM 401 OE1 GLU A 24 8.127 -10.757 -6.880 1.00 1.83 O ATOM 402 OE2 GLU A 24 6.292 -11.541 -5.996 1.00 1.84 O ATOM 0 H GLU A 24 8.065 -9.265 -2.826 1.00 0.57 H new ATOM 0 HA GLU A 24 10.275 -10.913 -2.877 1.00 0.71 H new ATOM 0 HB2 GLU A 24 9.085 -9.326 -5.200 1.00 0.90 H new ATOM 0 HB3 GLU A 24 10.054 -10.777 -5.365 1.00 0.90 H new ATOM 0 HG2 GLU A 24 8.346 -12.124 -4.240 1.00 1.37 H new ATOM 0 HG3 GLU A 24 7.420 -10.694 -3.828 1.00 1.37 H new ATOM 409 N LYS A 25 10.985 -8.054 -4.315 1.00 0.67 N ATOM 410 CA LYS A 25 12.113 -7.160 -4.695 1.00 0.72 C ATOM 411 C LYS A 25 12.957 -6.775 -3.494 1.00 0.68 C ATOM 412 O LYS A 25 14.158 -6.626 -3.586 1.00 0.75 O ATOM 413 CB LYS A 25 11.557 -5.899 -5.345 1.00 0.81 C ATOM 414 CG LYS A 25 10.655 -6.231 -6.571 1.00 0.95 C ATOM 415 CD LYS A 25 11.427 -6.925 -7.714 1.00 1.36 C ATOM 416 CE LYS A 25 11.283 -8.466 -7.632 1.00 1.57 C ATOM 417 NZ LYS A 25 9.852 -8.876 -7.654 1.00 1.86 N ATOM 0 H LYS A 25 10.061 -7.739 -4.612 1.00 0.67 H new ATOM 0 HA LYS A 25 12.751 -7.701 -5.393 1.00 0.72 H new ATOM 0 HB2 LYS A 25 10.981 -5.336 -4.611 1.00 0.81 H new ATOM 0 HB3 LYS A 25 12.381 -5.260 -5.662 1.00 0.81 H new ATOM 0 HG2 LYS A 25 9.836 -6.874 -6.250 1.00 0.95 H new ATOM 0 HG3 LYS A 25 10.209 -5.311 -6.947 1.00 0.95 H new ATOM 0 HD2 LYS A 25 11.053 -6.573 -8.675 1.00 1.36 H new ATOM 0 HD3 LYS A 25 12.481 -6.652 -7.663 1.00 1.36 H new ATOM 0 HE2 LYS A 25 11.809 -8.928 -8.468 1.00 1.57 H new ATOM 0 HE3 LYS A 25 11.754 -8.830 -6.719 1.00 1.57 H new ATOM 0 HZ1 LYS A 25 9.762 -9.843 -7.283 1.00 1.86 H new ATOM 0 HZ2 LYS A 25 9.295 -8.225 -7.064 1.00 1.86 H new ATOM 0 HZ3 LYS A 25 9.497 -8.846 -8.631 1.00 1.86 H new ATOM 431 N LEU A 26 12.316 -6.618 -2.380 1.00 0.65 N ATOM 432 CA LEU A 26 13.096 -6.240 -1.183 1.00 0.67 C ATOM 433 C LEU A 26 13.981 -7.404 -0.825 1.00 0.65 C ATOM 434 O LEU A 26 15.120 -7.227 -0.453 1.00 0.73 O ATOM 435 CB LEU A 26 12.138 -5.930 -0.045 1.00 0.68 C ATOM 436 CG LEU A 26 11.763 -4.428 -0.046 1.00 0.80 C ATOM 437 CD1 LEU A 26 11.472 -3.869 -1.455 1.00 1.21 C ATOM 438 CD2 LEU A 26 10.493 -4.283 0.795 1.00 1.22 C ATOM 0 H LEU A 26 11.311 -6.731 -2.246 1.00 0.65 H new ATOM 0 HA LEU A 26 13.706 -5.357 -1.372 1.00 0.67 H new ATOM 0 HB2 LEU A 26 11.237 -6.536 -0.145 1.00 0.68 H new ATOM 0 HB3 LEU A 26 12.597 -6.196 0.907 1.00 0.68 H new ATOM 0 HG LEU A 26 12.610 -3.868 0.350 1.00 0.80 H new ATOM 0 HD11 LEU A 26 11.216 -2.812 -1.381 1.00 1.21 H new ATOM 0 HD12 LEU A 26 12.356 -3.986 -2.082 1.00 1.21 H new ATOM 0 HD13 LEU A 26 10.638 -4.414 -1.898 1.00 1.21 H new ATOM 0 HD21 LEU A 26 10.192 -3.236 0.821 1.00 1.22 H new ATOM 0 HD22 LEU A 26 9.694 -4.879 0.354 1.00 1.22 H new ATOM 0 HD23 LEU A 26 10.687 -4.630 1.810 1.00 1.22 H new ATOM 450 N ASN A 27 13.449 -8.581 -0.947 1.00 0.60 N ATOM 451 CA ASN A 27 14.291 -9.749 -0.593 1.00 0.66 C ATOM 452 C ASN A 27 15.443 -9.827 -1.564 1.00 0.68 C ATOM 453 O ASN A 27 16.493 -10.321 -1.213 1.00 0.79 O ATOM 454 CB ASN A 27 13.498 -11.051 -0.679 1.00 0.76 C ATOM 455 CG ASN A 27 12.531 -11.143 0.506 1.00 1.02 C ATOM 456 OD1 ASN A 27 12.224 -12.220 0.978 1.00 1.70 O ATOM 457 ND2 ASN A 27 12.024 -10.057 1.025 1.00 1.70 N ATOM 0 H ASN A 27 12.501 -8.783 -1.265 1.00 0.60 H new ATOM 0 HA ASN A 27 14.644 -9.622 0.430 1.00 0.66 H new ATOM 0 HB2 ASN A 27 12.944 -11.090 -1.617 1.00 0.76 H new ATOM 0 HB3 ASN A 27 14.177 -11.903 -0.674 1.00 0.76 H new ATOM 0 HD21 ASN A 27 11.381 -10.121 1.814 1.00 1.70 H new ATOM 0 HD22 ASN A 27 12.271 -9.145 0.641 1.00 1.70 H new ATOM 464 N GLU A 28 15.240 -9.347 -2.758 1.00 0.70 N ATOM 465 CA GLU A 28 16.363 -9.405 -3.727 1.00 0.83 C ATOM 466 C GLU A 28 17.484 -8.540 -3.180 1.00 0.86 C ATOM 467 O GLU A 28 18.644 -8.885 -3.258 1.00 0.97 O ATOM 468 CB GLU A 28 15.944 -8.844 -5.082 1.00 1.00 C ATOM 469 CG GLU A 28 14.740 -9.610 -5.609 1.00 1.12 C ATOM 470 CD GLU A 28 14.375 -9.026 -6.969 1.00 1.86 C ATOM 471 OE1 GLU A 28 14.559 -7.830 -7.134 1.00 2.61 O ATOM 472 OE2 GLU A 28 13.923 -9.812 -7.779 1.00 2.24 O ATOM 0 H GLU A 28 14.373 -8.930 -3.096 1.00 0.70 H new ATOM 0 HA GLU A 28 16.674 -10.441 -3.859 1.00 0.83 H new ATOM 0 HB2 GLU A 28 15.700 -7.786 -4.988 1.00 1.00 H new ATOM 0 HB3 GLU A 28 16.771 -8.919 -5.788 1.00 1.00 H new ATOM 0 HG2 GLU A 28 14.972 -10.671 -5.699 1.00 1.12 H new ATOM 0 HG3 GLU A 28 13.901 -9.524 -4.919 1.00 1.12 H new ATOM 479 N LEU A 29 17.094 -7.422 -2.637 1.00 0.84 N ATOM 480 CA LEU A 29 18.110 -6.492 -2.080 1.00 0.98 C ATOM 481 C LEU A 29 18.392 -6.787 -0.617 1.00 1.03 C ATOM 482 O LEU A 29 18.668 -5.857 0.118 1.00 1.19 O ATOM 483 CB LEU A 29 17.606 -5.054 -2.209 1.00 1.02 C ATOM 484 CG LEU A 29 17.291 -4.726 -3.688 1.00 1.07 C ATOM 485 CD1 LEU A 29 16.736 -3.293 -3.769 1.00 1.79 C ATOM 486 CD2 LEU A 29 18.577 -4.821 -4.536 1.00 1.43 C ATOM 0 H LEU A 29 16.125 -7.115 -2.556 1.00 0.84 H new ATOM 0 HA LEU A 29 19.034 -6.626 -2.643 1.00 0.98 H new ATOM 0 HB2 LEU A 29 16.711 -4.919 -1.601 1.00 1.02 H new ATOM 0 HB3 LEU A 29 18.358 -4.362 -1.828 1.00 1.02 H new ATOM 0 HG LEU A 29 16.559 -5.438 -4.071 1.00 1.07 H new ATOM 0 HD11 LEU A 29 16.510 -3.049 -4.807 1.00 1.79 H new ATOM 0 HD12 LEU A 29 15.827 -3.221 -3.172 1.00 1.79 H new ATOM 0 HD13 LEU A 29 17.478 -2.593 -3.385 1.00 1.79 H new ATOM 0 HD21 LEU A 29 18.345 -4.589 -5.575 1.00 1.43 H new ATOM 0 HD22 LEU A 29 19.314 -4.111 -4.161 1.00 1.43 H new ATOM 0 HD23 LEU A 29 18.982 -5.831 -4.472 1.00 1.43 H new ATOM 498 N ASP A 30 18.314 -8.041 -0.244 1.00 0.98 N ATOM 499 CA ASP A 30 18.563 -8.457 1.176 1.00 1.11 C ATOM 500 C ASP A 30 17.979 -7.446 2.132 1.00 1.16 C ATOM 501 O ASP A 30 18.543 -7.142 3.165 1.00 1.63 O ATOM 502 CB ASP A 30 20.056 -8.557 1.471 1.00 1.35 C ATOM 503 CG ASP A 30 20.628 -9.691 0.633 1.00 1.82 C ATOM 504 OD1 ASP A 30 20.502 -10.813 1.095 1.00 2.45 O ATOM 505 OD2 ASP A 30 21.157 -9.369 -0.417 1.00 2.23 O ATOM 0 H ASP A 30 18.084 -8.809 -0.874 1.00 0.98 H new ATOM 0 HA ASP A 30 18.092 -9.431 1.308 1.00 1.11 H new ATOM 0 HB2 ASP A 30 20.555 -7.618 1.232 1.00 1.35 H new ATOM 0 HB3 ASP A 30 20.223 -8.746 2.532 1.00 1.35 H new ATOM 510 N ALA A 31 16.843 -6.936 1.765 1.00 0.84 N ATOM 511 CA ALA A 31 16.190 -5.925 2.626 1.00 0.87 C ATOM 512 C ALA A 31 15.268 -6.646 3.576 1.00 0.76 C ATOM 513 O ALA A 31 14.070 -6.465 3.528 1.00 0.75 O ATOM 514 CB ALA A 31 15.385 -4.954 1.780 1.00 0.89 C ATOM 0 H ALA A 31 16.341 -7.175 0.910 1.00 0.84 H new ATOM 0 HA ALA A 31 16.945 -5.362 3.174 1.00 0.87 H new ATOM 0 HB1 ALA A 31 14.910 -4.216 2.426 1.00 0.89 H new ATOM 0 HB2 ALA A 31 16.047 -4.448 1.077 1.00 0.89 H new ATOM 0 HB3 ALA A 31 14.619 -5.500 1.229 1.00 0.89 H new ATOM 520 N ASP A 32 15.882 -7.444 4.400 1.00 0.85 N ATOM 521 CA ASP A 32 15.151 -8.232 5.435 1.00 0.87 C ATOM 522 C ASP A 32 14.251 -7.278 6.191 1.00 0.79 C ATOM 523 O ASP A 32 13.098 -7.538 6.462 1.00 0.74 O ATOM 524 CB ASP A 32 16.149 -8.852 6.412 1.00 1.11 C ATOM 525 CG ASP A 32 17.062 -7.743 6.953 1.00 2.05 C ATOM 526 OD1 ASP A 32 17.912 -7.317 6.190 1.00 2.57 O ATOM 527 OD2 ASP A 32 16.883 -7.354 8.091 1.00 2.83 O ATOM 0 H ASP A 32 16.892 -7.589 4.401 1.00 0.85 H new ATOM 0 HA ASP A 32 14.572 -9.027 4.965 1.00 0.87 H new ATOM 0 HB2 ASP A 32 15.622 -9.341 7.231 1.00 1.11 H new ATOM 0 HB3 ASP A 32 16.741 -9.618 5.912 1.00 1.11 H new ATOM 532 N GLU A 33 14.859 -6.184 6.503 1.00 0.86 N ATOM 533 CA GLU A 33 14.207 -5.087 7.244 1.00 0.90 C ATOM 534 C GLU A 33 12.916 -4.696 6.554 1.00 0.78 C ATOM 535 O GLU A 33 11.822 -4.903 7.040 1.00 0.79 O ATOM 536 CB GLU A 33 15.259 -3.995 7.261 1.00 1.07 C ATOM 537 CG GLU A 33 14.790 -2.594 7.533 1.00 1.58 C ATOM 538 CD GLU A 33 15.935 -1.780 6.954 1.00 1.74 C ATOM 539 OE1 GLU A 33 17.002 -1.872 7.535 1.00 2.11 O ATOM 540 OE2 GLU A 33 15.693 -1.127 5.957 1.00 2.15 O ATOM 0 H GLU A 33 15.832 -5.996 6.262 1.00 0.86 H new ATOM 0 HA GLU A 33 13.903 -5.339 8.260 1.00 0.90 H new ATOM 0 HB2 GLU A 33 16.003 -4.254 8.014 1.00 1.07 H new ATOM 0 HB3 GLU A 33 15.767 -4.000 6.296 1.00 1.07 H new ATOM 0 HG2 GLU A 33 13.841 -2.376 7.043 1.00 1.58 H new ATOM 0 HG3 GLU A 33 14.649 -2.407 8.598 1.00 1.58 H new ATOM 547 N GLN A 34 13.106 -4.129 5.406 1.00 0.71 N ATOM 548 CA GLN A 34 11.940 -3.667 4.624 1.00 0.67 C ATOM 549 C GLN A 34 11.015 -4.831 4.353 1.00 0.57 C ATOM 550 O GLN A 34 9.845 -4.628 4.117 1.00 0.53 O ATOM 551 CB GLN A 34 12.430 -3.081 3.314 1.00 0.72 C ATOM 552 CG GLN A 34 13.416 -1.967 3.628 1.00 0.88 C ATOM 553 CD GLN A 34 14.195 -1.660 2.361 1.00 1.49 C ATOM 554 OE1 GLN A 34 13.716 -1.856 1.261 1.00 2.26 O ATOM 555 NE2 GLN A 34 15.400 -1.182 2.478 1.00 1.80 N ATOM 0 H GLN A 34 14.016 -3.965 4.976 1.00 0.71 H new ATOM 0 HA GLN A 34 11.395 -2.908 5.185 1.00 0.67 H new ATOM 0 HB2 GLN A 34 12.908 -3.851 2.709 1.00 0.72 H new ATOM 0 HB3 GLN A 34 11.592 -2.694 2.734 1.00 0.72 H new ATOM 0 HG2 GLN A 34 12.889 -1.079 3.976 1.00 0.88 H new ATOM 0 HG3 GLN A 34 14.092 -2.270 4.427 1.00 0.88 H new ATOM 0 HE21 GLN A 34 15.797 -1.020 3.404 1.00 1.80 H new ATOM 0 HE22 GLN A 34 15.948 -0.970 1.644 1.00 1.80 H new ATOM 564 N ALA A 35 11.540 -6.022 4.390 1.00 0.58 N ATOM 565 CA ALA A 35 10.655 -7.174 4.107 1.00 0.56 C ATOM 566 C ALA A 35 9.691 -7.323 5.260 1.00 0.56 C ATOM 567 O ALA A 35 8.518 -7.524 5.033 1.00 0.54 O ATOM 568 CB ALA A 35 11.457 -8.470 3.971 1.00 0.65 C ATOM 0 H ALA A 35 12.514 -6.241 4.598 1.00 0.58 H new ATOM 0 HA ALA A 35 10.131 -6.993 3.169 1.00 0.56 H new ATOM 0 HB1 ALA A 35 10.779 -9.298 3.763 1.00 0.65 H new ATOM 0 HB2 ALA A 35 12.171 -8.372 3.153 1.00 0.65 H new ATOM 0 HB3 ALA A 35 11.994 -8.665 4.900 1.00 0.65 H new ATOM 574 N ASP A 36 10.178 -7.221 6.464 1.00 0.62 N ATOM 575 CA ASP A 36 9.221 -7.376 7.600 1.00 0.67 C ATOM 576 C ASP A 36 8.166 -6.309 7.495 1.00 0.60 C ATOM 577 O ASP A 36 6.976 -6.553 7.472 1.00 0.62 O ATOM 578 CB ASP A 36 9.884 -7.181 8.943 1.00 0.79 C ATOM 579 CG ASP A 36 8.737 -7.023 9.940 1.00 1.21 C ATOM 580 OD1 ASP A 36 8.120 -8.039 10.205 1.00 1.67 O ATOM 581 OD2 ASP A 36 8.545 -5.899 10.375 1.00 1.65 O ATOM 0 H ASP A 36 11.152 -7.045 6.709 1.00 0.62 H new ATOM 0 HA ASP A 36 8.815 -8.386 7.537 1.00 0.67 H new ATOM 0 HB2 ASP A 36 10.513 -8.034 9.199 1.00 0.79 H new ATOM 0 HB3 ASP A 36 10.527 -6.301 8.940 1.00 0.79 H new ATOM 586 N ILE A 37 8.674 -5.119 7.431 1.00 0.55 N ATOM 587 CA ILE A 37 7.776 -3.950 7.334 1.00 0.52 C ATOM 588 C ILE A 37 6.836 -4.156 6.144 1.00 0.47 C ATOM 589 O ILE A 37 5.693 -3.746 6.164 1.00 0.50 O ATOM 590 CB ILE A 37 8.638 -2.698 7.136 1.00 0.53 C ATOM 591 CG1 ILE A 37 9.725 -2.599 8.239 1.00 0.68 C ATOM 592 CG2 ILE A 37 7.759 -1.451 7.178 1.00 0.57 C ATOM 593 CD1 ILE A 37 9.106 -2.511 9.644 1.00 1.12 C ATOM 0 H ILE A 37 9.671 -4.906 7.442 1.00 0.55 H new ATOM 0 HA ILE A 37 7.178 -3.833 8.238 1.00 0.52 H new ATOM 0 HB ILE A 37 9.128 -2.770 6.165 1.00 0.53 H new ATOM 0 HG12 ILE A 37 10.379 -3.469 8.184 1.00 0.68 H new ATOM 0 HG13 ILE A 37 10.346 -1.721 8.060 1.00 0.68 H new ATOM 0 HG21 ILE A 37 8.378 -0.565 7.037 1.00 0.57 H new ATOM 0 HG22 ILE A 37 7.014 -1.504 6.384 1.00 0.57 H new ATOM 0 HG23 ILE A 37 7.256 -1.392 8.143 1.00 0.57 H new ATOM 0 HD11 ILE A 37 9.900 -2.443 10.388 1.00 1.12 H new ATOM 0 HD12 ILE A 37 8.472 -1.626 9.708 1.00 1.12 H new ATOM 0 HD13 ILE A 37 8.506 -3.401 9.834 1.00 1.12 H new ATOM 605 N CYS A 38 7.341 -4.794 5.131 1.00 0.45 N ATOM 606 CA CYS A 38 6.486 -5.007 3.934 1.00 0.47 C ATOM 607 C CYS A 38 5.383 -5.991 4.250 1.00 0.50 C ATOM 608 O CYS A 38 4.281 -5.811 3.782 1.00 0.57 O ATOM 609 CB CYS A 38 7.309 -5.557 2.771 1.00 0.48 C ATOM 610 SG CYS A 38 6.446 -5.846 1.208 1.00 0.70 S ATOM 0 H CYS A 38 8.287 -5.171 5.077 1.00 0.45 H new ATOM 0 HA CYS A 38 6.059 -4.044 3.653 1.00 0.47 H new ATOM 0 HB2 CYS A 38 8.129 -4.864 2.581 1.00 0.48 H new ATOM 0 HB3 CYS A 38 7.755 -6.499 3.089 1.00 0.48 H new ATOM 0 HG CYS A 38 5.783 -4.778 0.874 1.00 0.70 H new ATOM 616 N GLU A 39 5.667 -7.002 5.017 1.00 0.54 N ATOM 617 CA GLU A 39 4.570 -7.951 5.323 1.00 0.62 C ATOM 618 C GLU A 39 3.578 -7.241 6.214 1.00 0.58 C ATOM 619 O GLU A 39 2.388 -7.454 6.121 1.00 0.57 O ATOM 620 CB GLU A 39 5.142 -9.179 6.033 1.00 0.75 C ATOM 621 CG GLU A 39 6.108 -9.890 5.081 1.00 1.35 C ATOM 622 CD GLU A 39 5.311 -10.376 3.869 1.00 2.07 C ATOM 623 OE1 GLU A 39 4.826 -11.488 3.978 1.00 2.82 O ATOM 624 OE2 GLU A 39 5.230 -9.620 2.912 1.00 2.39 O ATOM 0 H GLU A 39 6.576 -7.208 5.431 1.00 0.54 H new ATOM 0 HA GLU A 39 4.077 -8.282 4.409 1.00 0.62 H new ATOM 0 HB2 GLU A 39 5.660 -8.881 6.945 1.00 0.75 H new ATOM 0 HB3 GLU A 39 4.338 -9.853 6.329 1.00 0.75 H new ATOM 0 HG2 GLU A 39 6.901 -9.212 4.767 1.00 1.35 H new ATOM 0 HG3 GLU A 39 6.587 -10.730 5.583 1.00 1.35 H new ATOM 631 N SER A 40 4.072 -6.403 7.069 1.00 0.63 N ATOM 632 CA SER A 40 3.124 -5.679 7.937 1.00 0.64 C ATOM 633 C SER A 40 2.278 -4.793 7.021 1.00 0.58 C ATOM 634 O SER A 40 1.114 -4.544 7.263 1.00 0.63 O ATOM 635 CB SER A 40 3.956 -4.879 8.918 1.00 0.72 C ATOM 636 OG SER A 40 4.780 -5.893 9.479 1.00 0.77 O ATOM 0 H SER A 40 5.061 -6.193 7.202 1.00 0.63 H new ATOM 0 HA SER A 40 2.454 -6.326 8.503 1.00 0.64 H new ATOM 0 HB2 SER A 40 4.540 -4.102 8.424 1.00 0.72 H new ATOM 0 HB3 SER A 40 3.342 -4.386 9.671 1.00 0.72 H new ATOM 0 HG SER A 40 5.381 -5.496 10.144 1.00 0.77 H new ATOM 642 N LEU A 41 2.897 -4.338 5.970 1.00 0.54 N ATOM 643 CA LEU A 41 2.153 -3.466 5.029 1.00 0.53 C ATOM 644 C LEU A 41 1.195 -4.337 4.261 1.00 0.50 C ATOM 645 O LEU A 41 0.120 -3.923 3.887 1.00 0.55 O ATOM 646 CB LEU A 41 3.107 -2.820 4.046 1.00 0.56 C ATOM 647 CG LEU A 41 2.375 -1.750 3.200 1.00 0.63 C ATOM 648 CD1 LEU A 41 1.930 -0.583 4.090 1.00 1.05 C ATOM 649 CD2 LEU A 41 3.298 -1.220 2.093 1.00 1.22 C ATOM 0 H LEU A 41 3.869 -4.529 5.726 1.00 0.54 H new ATOM 0 HA LEU A 41 1.631 -2.686 5.582 1.00 0.53 H new ATOM 0 HB2 LEU A 41 3.937 -2.361 4.584 1.00 0.56 H new ATOM 0 HB3 LEU A 41 3.533 -3.580 3.391 1.00 0.56 H new ATOM 0 HG LEU A 41 1.499 -2.214 2.746 1.00 0.63 H new ATOM 0 HD11 LEU A 41 1.417 0.162 3.483 1.00 1.05 H new ATOM 0 HD12 LEU A 41 1.254 -0.951 4.861 1.00 1.05 H new ATOM 0 HD13 LEU A 41 2.803 -0.130 4.559 1.00 1.05 H new ATOM 0 HD21 LEU A 41 2.769 -0.469 1.507 1.00 1.22 H new ATOM 0 HD22 LEU A 41 4.185 -0.772 2.542 1.00 1.22 H new ATOM 0 HD23 LEU A 41 3.597 -2.043 1.443 1.00 1.22 H new ATOM 661 N HIS A 42 1.636 -5.536 4.047 1.00 0.50 N ATOM 662 CA HIS A 42 0.803 -6.497 3.282 1.00 0.53 C ATOM 663 C HIS A 42 -0.487 -6.686 4.049 1.00 0.55 C ATOM 664 O HIS A 42 -1.567 -6.592 3.500 1.00 0.63 O ATOM 665 CB HIS A 42 1.532 -7.841 3.156 1.00 0.54 C ATOM 666 CG HIS A 42 0.751 -8.739 2.194 1.00 0.60 C ATOM 667 ND1 HIS A 42 1.099 -9.015 0.979 1.00 0.61 N ATOM 668 CD2 HIS A 42 -0.437 -9.427 2.377 1.00 1.21 C ATOM 669 CE1 HIS A 42 0.219 -9.800 0.445 1.00 0.64 C ATOM 670 NE2 HIS A 42 -0.752 -10.082 1.277 1.00 1.13 N ATOM 0 H HIS A 42 2.536 -5.895 4.367 1.00 0.50 H new ATOM 0 HA HIS A 42 0.607 -6.120 2.278 1.00 0.53 H new ATOM 0 HB2 HIS A 42 2.546 -7.687 2.788 1.00 0.54 H new ATOM 0 HB3 HIS A 42 1.616 -8.318 4.133 1.00 0.54 H new ATOM 0 HD1 HIS A 42 1.937 -8.668 0.514 1.00 0.61 H new ATOM 0 HD2 HIS A 42 -1.019 -9.427 3.287 1.00 1.21 H new ATOM 0 HE1 HIS A 42 0.279 -10.177 -0.565 1.00 0.64 H new ATOM 678 N ASP A 43 -0.336 -6.948 5.315 1.00 0.56 N ATOM 679 CA ASP A 43 -1.548 -7.152 6.150 1.00 0.64 C ATOM 680 C ASP A 43 -2.378 -5.904 6.158 1.00 0.60 C ATOM 681 O ASP A 43 -3.560 -5.945 5.903 1.00 0.62 O ATOM 682 CB ASP A 43 -1.224 -7.432 7.591 1.00 0.80 C ATOM 683 CG ASP A 43 -2.561 -7.323 8.318 1.00 1.22 C ATOM 684 OD1 ASP A 43 -3.379 -8.197 8.081 1.00 1.51 O ATOM 685 OD2 ASP A 43 -2.689 -6.371 9.063 1.00 1.86 O ATOM 0 H ASP A 43 0.557 -7.029 5.801 1.00 0.56 H new ATOM 0 HA ASP A 43 -2.067 -8.005 5.713 1.00 0.64 H new ATOM 0 HB2 ASP A 43 -0.787 -8.423 7.713 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -0.502 -6.715 7.981 1.00 0.80 H new ATOM 690 N HIS A 44 -1.754 -4.804 6.452 1.00 0.60 N ATOM 691 CA HIS A 44 -2.538 -3.544 6.478 1.00 0.63 C ATOM 692 C HIS A 44 -3.107 -3.232 5.112 1.00 0.60 C ATOM 693 O HIS A 44 -4.079 -2.512 4.990 1.00 0.68 O ATOM 694 CB HIS A 44 -1.656 -2.393 6.918 1.00 0.65 C ATOM 695 CG HIS A 44 -1.355 -2.579 8.406 1.00 1.02 C ATOM 696 ND1 HIS A 44 -1.581 -3.658 9.085 1.00 1.67 N ATOM 697 CD2 HIS A 44 -0.808 -1.702 9.330 1.00 1.54 C ATOM 698 CE1 HIS A 44 -1.213 -3.480 10.313 1.00 2.24 C ATOM 699 NE2 HIS A 44 -0.727 -2.280 10.511 1.00 2.16 N ATOM 0 H HIS A 44 -0.761 -4.721 6.670 1.00 0.60 H new ATOM 0 HA HIS A 44 -3.359 -3.675 7.183 1.00 0.63 H new ATOM 0 HB2 HIS A 44 -0.732 -2.377 6.340 1.00 0.65 H new ATOM 0 HB3 HIS A 44 -2.156 -1.440 6.745 1.00 0.65 H new ATOM 0 HD2 HIS A 44 -0.494 -0.692 9.113 1.00 1.54 H new ATOM 0 HE1 HIS A 44 -1.297 -4.232 11.083 1.00 2.24 H new ATOM 0 HE2 HIS A 44 -0.368 -1.884 11.380 1.00 2.16 H new ATOM 707 N ALA A 45 -2.501 -3.772 4.096 1.00 0.57 N ATOM 708 CA ALA A 45 -3.040 -3.479 2.748 1.00 0.62 C ATOM 709 C ALA A 45 -4.327 -4.252 2.735 1.00 0.59 C ATOM 710 O ALA A 45 -5.308 -3.857 2.136 1.00 0.61 O ATOM 711 CB ALA A 45 -2.124 -4.008 1.646 1.00 0.70 C ATOM 0 H ALA A 45 -1.685 -4.382 4.137 1.00 0.57 H new ATOM 0 HA ALA A 45 -3.147 -2.410 2.566 1.00 0.62 H new ATOM 0 HB1 ALA A 45 -2.554 -3.774 0.672 1.00 0.70 H new ATOM 0 HB2 ALA A 45 -1.143 -3.540 1.732 1.00 0.70 H new ATOM 0 HB3 ALA A 45 -2.021 -5.088 1.746 1.00 0.70 H new ATOM 717 N ASP A 46 -4.290 -5.362 3.411 1.00 0.60 N ATOM 718 CA ASP A 46 -5.526 -6.166 3.459 1.00 0.65 C ATOM 719 C ASP A 46 -6.465 -5.477 4.429 1.00 0.65 C ATOM 720 O ASP A 46 -7.651 -5.520 4.224 1.00 0.65 O ATOM 721 CB ASP A 46 -5.253 -7.596 3.955 1.00 0.76 C ATOM 722 CG ASP A 46 -6.584 -8.349 4.048 1.00 0.88 C ATOM 723 OD1 ASP A 46 -7.489 -8.017 3.304 1.00 1.45 O ATOM 724 OD2 ASP A 46 -6.635 -9.242 4.868 1.00 1.04 O ATOM 0 H ASP A 46 -3.485 -5.734 3.915 1.00 0.60 H new ATOM 0 HA ASP A 46 -5.952 -6.241 2.458 1.00 0.65 H new ATOM 0 HB2 ASP A 46 -4.576 -8.109 3.272 1.00 0.76 H new ATOM 0 HB3 ASP A 46 -4.765 -7.571 4.929 1.00 0.76 H new ATOM 729 N GLU A 47 -5.975 -4.847 5.460 1.00 0.71 N ATOM 730 CA GLU A 47 -6.939 -4.188 6.385 1.00 0.81 C ATOM 731 C GLU A 47 -7.788 -3.264 5.543 1.00 0.75 C ATOM 732 O GLU A 47 -8.978 -3.122 5.739 1.00 0.81 O ATOM 733 CB GLU A 47 -6.204 -3.358 7.450 1.00 0.97 C ATOM 734 CG GLU A 47 -5.424 -4.274 8.407 1.00 1.17 C ATOM 735 CD GLU A 47 -6.386 -5.053 9.304 1.00 1.52 C ATOM 736 OE1 GLU A 47 -7.565 -4.744 9.271 1.00 2.02 O ATOM 737 OE2 GLU A 47 -5.887 -5.931 9.983 1.00 1.97 O ATOM 0 H GLU A 47 -4.987 -4.760 5.698 1.00 0.71 H new ATOM 0 HA GLU A 47 -7.537 -4.940 6.900 1.00 0.81 H new ATOM 0 HB2 GLU A 47 -5.520 -2.661 6.967 1.00 0.97 H new ATOM 0 HB3 GLU A 47 -6.922 -2.762 8.013 1.00 0.97 H new ATOM 0 HG2 GLU A 47 -4.808 -4.968 7.835 1.00 1.17 H new ATOM 0 HG3 GLU A 47 -4.748 -3.678 9.020 1.00 1.17 H new ATOM 744 N LEU A 48 -7.147 -2.645 4.602 1.00 0.72 N ATOM 745 CA LEU A 48 -7.929 -1.736 3.743 1.00 0.77 C ATOM 746 C LEU A 48 -8.879 -2.590 2.913 1.00 0.68 C ATOM 747 O LEU A 48 -10.057 -2.310 2.834 1.00 0.93 O ATOM 748 CB LEU A 48 -6.973 -0.956 2.832 1.00 0.85 C ATOM 749 CG LEU A 48 -7.757 0.002 1.914 1.00 0.87 C ATOM 750 CD1 LEU A 48 -8.542 1.023 2.754 1.00 1.52 C ATOM 751 CD2 LEU A 48 -6.764 0.758 1.017 1.00 1.40 C ATOM 0 H LEU A 48 -6.151 -2.725 4.396 1.00 0.72 H new ATOM 0 HA LEU A 48 -8.496 -1.021 4.339 1.00 0.77 H new ATOM 0 HB2 LEU A 48 -6.266 -0.390 3.438 1.00 0.85 H new ATOM 0 HB3 LEU A 48 -6.390 -1.651 2.228 1.00 0.85 H new ATOM 0 HG LEU A 48 -8.455 -0.577 1.309 1.00 0.87 H new ATOM 0 HD11 LEU A 48 -9.091 1.693 2.092 1.00 1.52 H new ATOM 0 HD12 LEU A 48 -9.244 0.498 3.402 1.00 1.52 H new ATOM 0 HD13 LEU A 48 -7.849 1.603 3.364 1.00 1.52 H new ATOM 0 HD21 LEU A 48 -7.309 1.439 0.363 1.00 1.40 H new ATOM 0 HD22 LEU A 48 -6.073 1.327 1.639 1.00 1.40 H new ATOM 0 HD23 LEU A 48 -6.204 0.045 0.412 1.00 1.40 H new ATOM 763 N TYR A 49 -8.333 -3.615 2.324 1.00 0.59 N ATOM 764 CA TYR A 49 -9.142 -4.515 1.451 1.00 0.54 C ATOM 765 C TYR A 49 -10.337 -5.159 2.140 1.00 0.59 C ATOM 766 O TYR A 49 -11.457 -4.947 1.730 1.00 0.82 O ATOM 767 CB TYR A 49 -8.242 -5.612 0.915 1.00 0.61 C ATOM 768 CG TYR A 49 -9.046 -6.534 0.004 1.00 0.64 C ATOM 769 CD1 TYR A 49 -9.428 -6.114 -1.248 1.00 1.29 C ATOM 770 CD2 TYR A 49 -9.393 -7.805 0.419 1.00 1.33 C ATOM 771 CE1 TYR A 49 -10.144 -6.949 -2.070 1.00 1.32 C ATOM 772 CE2 TYR A 49 -10.109 -8.639 -0.409 1.00 1.40 C ATOM 773 CZ TYR A 49 -10.490 -8.214 -1.663 1.00 0.85 C ATOM 774 OH TYR A 49 -11.203 -9.030 -2.515 1.00 0.99 O ATOM 0 H TYR A 49 -7.350 -3.872 2.410 1.00 0.59 H new ATOM 0 HA TYR A 49 -9.548 -3.886 0.659 1.00 0.54 H new ATOM 0 HB2 TYR A 49 -7.409 -5.176 0.364 1.00 0.61 H new ATOM 0 HB3 TYR A 49 -7.815 -6.182 1.740 1.00 0.61 H new ATOM 0 HD1 TYR A 49 -9.164 -5.123 -1.587 1.00 1.29 H new ATOM 0 HD2 TYR A 49 -9.100 -8.147 1.401 1.00 1.33 H new ATOM 0 HE1 TYR A 49 -10.439 -6.606 -3.051 1.00 1.32 H new ATOM 0 HE2 TYR A 49 -10.373 -9.631 -0.074 1.00 1.40 H new ATOM 0 HH TYR A 49 -11.368 -9.892 -2.080 1.00 0.99 H new ATOM 784 N ARG A 50 -10.086 -5.936 3.151 1.00 0.71 N ATOM 785 CA ARG A 50 -11.197 -6.592 3.879 1.00 0.95 C ATOM 786 C ARG A 50 -12.229 -5.536 4.265 1.00 1.15 C ATOM 787 O ARG A 50 -13.416 -5.775 4.184 1.00 1.19 O ATOM 788 CB ARG A 50 -10.616 -7.293 5.129 1.00 1.20 C ATOM 789 CG ARG A 50 -10.087 -6.258 6.133 1.00 1.44 C ATOM 790 CD ARG A 50 -9.325 -6.969 7.266 1.00 1.54 C ATOM 791 NE ARG A 50 -8.059 -7.573 6.756 1.00 1.70 N ATOM 792 CZ ARG A 50 -7.025 -7.560 7.571 1.00 1.79 C ATOM 793 NH1 ARG A 50 -7.211 -7.966 8.806 1.00 2.21 N ATOM 794 NH2 ARG A 50 -5.856 -7.144 7.145 1.00 2.29 N ATOM 0 H ARG A 50 -9.153 -6.145 3.505 1.00 0.71 H new ATOM 0 HA ARG A 50 -11.689 -7.338 3.255 1.00 0.95 H new ATOM 0 HB2 ARG A 50 -11.386 -7.904 5.600 1.00 1.20 H new ATOM 0 HB3 ARG A 50 -9.811 -7.966 4.834 1.00 1.20 H new ATOM 0 HG2 ARG A 50 -9.428 -5.552 5.627 1.00 1.44 H new ATOM 0 HG3 ARG A 50 -10.915 -5.682 6.546 1.00 1.44 H new ATOM 0 HD2 ARG A 50 -9.100 -6.258 8.061 1.00 1.54 H new ATOM 0 HD3 ARG A 50 -9.954 -7.745 7.702 1.00 1.54 H new ATOM 0 HE ARG A 50 -7.998 -7.976 5.821 1.00 1.70 H new ATOM 0 HH11 ARG A 50 -8.134 -8.278 9.107 1.00 2.21 H new ATOM 0 HH12 ARG A 50 -6.432 -7.969 9.465 1.00 2.21 H new ATOM 0 HH21 ARG A 50 -5.747 -6.830 6.181 1.00 2.29 H new ATOM 0 HH22 ARG A 50 -5.056 -7.135 7.778 1.00 2.29 H new ATOM 808 N SER A 51 -11.777 -4.387 4.674 1.00 1.40 N ATOM 809 CA SER A 51 -12.768 -3.350 5.043 1.00 1.77 C ATOM 810 C SER A 51 -13.463 -2.864 3.779 1.00 1.70 C ATOM 811 O SER A 51 -14.620 -2.497 3.799 1.00 1.91 O ATOM 812 CB SER A 51 -12.033 -2.225 5.729 1.00 2.04 C ATOM 813 OG SER A 51 -11.487 -2.890 6.860 1.00 2.11 O ATOM 0 H SER A 51 -10.795 -4.127 4.767 1.00 1.40 H new ATOM 0 HA SER A 51 -13.526 -3.745 5.720 1.00 1.77 H new ATOM 0 HB2 SER A 51 -11.259 -1.793 5.094 1.00 2.04 H new ATOM 0 HB3 SER A 51 -12.701 -1.412 6.014 1.00 2.04 H new ATOM 0 HG SER A 51 -10.543 -3.094 6.695 1.00 2.11 H new ATOM 819 N CYS A 52 -12.749 -2.869 2.693 1.00 1.50 N ATOM 820 CA CYS A 52 -13.398 -2.419 1.440 1.00 1.60 C ATOM 821 C CYS A 52 -14.418 -3.485 1.112 1.00 1.30 C ATOM 822 O CYS A 52 -15.366 -3.230 0.406 1.00 1.42 O ATOM 823 CB CYS A 52 -12.393 -2.330 0.291 1.00 1.71 C ATOM 824 SG CYS A 52 -11.014 -1.167 0.422 1.00 2.41 S ATOM 0 H CYS A 52 -11.773 -3.156 2.619 1.00 1.50 H new ATOM 0 HA CYS A 52 -13.836 -1.429 1.567 1.00 1.60 H new ATOM 0 HB2 CYS A 52 -11.972 -3.325 0.144 1.00 1.71 H new ATOM 0 HB3 CYS A 52 -12.948 -2.082 -0.614 1.00 1.71 H new ATOM 0 HG CYS A 52 -10.441 -1.302 1.581 1.00 2.41 H new ATOM 830 N LEU A 53 -14.213 -4.662 1.624 1.00 1.00 N ATOM 831 CA LEU A 53 -15.191 -5.737 1.334 1.00 0.95 C ATOM 832 C LEU A 53 -16.287 -5.576 2.369 1.00 1.09 C ATOM 833 O LEU A 53 -17.404 -6.001 2.169 1.00 1.19 O ATOM 834 CB LEU A 53 -14.533 -7.113 1.493 1.00 0.98 C ATOM 835 CG LEU A 53 -15.452 -8.225 0.938 1.00 1.21 C ATOM 836 CD1 LEU A 53 -15.543 -8.133 -0.596 1.00 1.56 C ATOM 837 CD2 LEU A 53 -14.868 -9.593 1.317 1.00 1.58 C ATOM 0 H LEU A 53 -13.427 -4.922 2.219 1.00 1.00 H new ATOM 0 HA LEU A 53 -15.571 -5.669 0.315 1.00 0.95 H new ATOM 0 HB2 LEU A 53 -13.578 -7.128 0.968 1.00 0.98 H new ATOM 0 HB3 LEU A 53 -14.321 -7.301 2.546 1.00 0.98 H new ATOM 0 HG LEU A 53 -16.448 -8.103 1.363 1.00 1.21 H new ATOM 0 HD11 LEU A 53 -16.194 -8.923 -0.970 1.00 1.56 H new ATOM 0 HD12 LEU A 53 -15.951 -7.163 -0.879 1.00 1.56 H new ATOM 0 HD13 LEU A 53 -14.548 -8.248 -1.027 1.00 1.56 H new ATOM 0 HD21 LEU A 53 -15.511 -10.383 0.929 1.00 1.58 H new ATOM 0 HD22 LEU A 53 -13.870 -9.694 0.889 1.00 1.58 H new ATOM 0 HD23 LEU A 53 -14.807 -9.675 2.402 1.00 1.58 H new ATOM 849 N ALA A 54 -15.965 -4.967 3.471 1.00 1.32 N ATOM 850 CA ALA A 54 -17.030 -4.804 4.494 1.00 1.66 C ATOM 851 C ALA A 54 -18.077 -3.883 3.908 1.00 1.77 C ATOM 852 O ALA A 54 -19.259 -4.067 4.110 1.00 2.00 O ATOM 853 CB ALA A 54 -16.477 -4.169 5.769 1.00 1.85 C ATOM 0 H ALA A 54 -15.047 -4.588 3.704 1.00 1.32 H new ATOM 0 HA ALA A 54 -17.442 -5.780 4.752 1.00 1.66 H new ATOM 0 HB1 ALA A 54 -17.279 -4.062 6.500 1.00 1.85 H new ATOM 0 HB2 ALA A 54 -15.693 -4.804 6.181 1.00 1.85 H new ATOM 0 HB3 ALA A 54 -16.064 -3.187 5.537 1.00 1.85 H new ATOM 859 N ARG A 55 -17.607 -2.904 3.192 1.00 1.75 N ATOM 860 CA ARG A 55 -18.560 -1.947 2.579 1.00 1.93 C ATOM 861 C ARG A 55 -18.971 -2.434 1.201 1.00 1.58 C ATOM 862 O ARG A 55 -20.132 -2.660 0.933 1.00 1.71 O ATOM 863 CB ARG A 55 -17.889 -0.573 2.476 1.00 2.36 C ATOM 864 CG ARG A 55 -18.714 0.323 1.554 1.00 2.73 C ATOM 865 CD ARG A 55 -18.202 1.757 1.688 1.00 3.04 C ATOM 866 NE ARG A 55 -18.677 2.335 2.976 1.00 2.92 N ATOM 867 CZ ARG A 55 -19.654 3.210 2.910 1.00 3.13 C ATOM 868 NH1 ARG A 55 -20.666 2.933 2.118 1.00 3.65 N ATOM 869 NH2 ARG A 55 -19.589 4.318 3.613 1.00 3.41 N ATOM 0 H ARG A 55 -16.620 -2.727 3.007 1.00 1.75 H new ATOM 0 HA ARG A 55 -19.453 -1.870 3.199 1.00 1.93 H new ATOM 0 HB2 ARG A 55 -17.807 -0.120 3.464 1.00 2.36 H new ATOM 0 HB3 ARG A 55 -16.876 -0.678 2.089 1.00 2.36 H new ATOM 0 HG2 ARG A 55 -18.629 -0.015 0.521 1.00 2.73 H new ATOM 0 HG3 ARG A 55 -19.770 0.271 1.820 1.00 2.73 H new ATOM 0 HD2 ARG A 55 -17.113 1.771 1.651 1.00 3.04 H new ATOM 0 HD3 ARG A 55 -18.557 2.361 0.853 1.00 3.04 H new ATOM 0 HE ARG A 55 -18.263 2.064 3.868 1.00 2.92 H new ATOM 0 HH11 ARG A 55 -20.672 2.065 1.583 1.00 3.65 H new ATOM 0 HH12 ARG A 55 -21.445 3.587 2.038 1.00 3.65 H new ATOM 0 HH21 ARG A 55 -18.781 4.497 4.209 1.00 3.41 H new ATOM 0 HH22 ARG A 55 -20.347 4.999 3.563 1.00 3.41 H new ATOM 883 N PHE A 56 -17.996 -2.588 0.356 1.00 1.42 N ATOM 884 CA PHE A 56 -18.283 -3.040 -1.031 1.00 1.63 C ATOM 885 C PHE A 56 -18.421 -4.543 -1.095 1.00 2.45 C ATOM 886 O PHE A 56 -18.125 -5.121 -2.119 1.00 3.11 O ATOM 887 CB PHE A 56 -17.151 -2.645 -1.969 1.00 1.48 C ATOM 888 CG PHE A 56 -16.904 -1.139 -1.888 1.00 1.19 C ATOM 889 CD1 PHE A 56 -17.903 -0.238 -2.203 1.00 1.63 C ATOM 890 CD2 PHE A 56 -15.666 -0.664 -1.503 1.00 1.30 C ATOM 891 CE1 PHE A 56 -17.665 1.119 -2.133 1.00 1.51 C ATOM 892 CE2 PHE A 56 -15.427 0.691 -1.434 1.00 1.24 C ATOM 893 CZ PHE A 56 -16.427 1.585 -1.749 1.00 0.99 C ATOM 0 H PHE A 56 -17.012 -2.421 0.564 1.00 1.42 H new ATOM 0 HA PHE A 56 -19.216 -2.564 -1.334 1.00 1.63 H new ATOM 0 HB2 PHE A 56 -16.242 -3.185 -1.703 1.00 1.48 H new ATOM 0 HB3 PHE A 56 -17.401 -2.926 -2.992 1.00 1.48 H new ATOM 0 HD1 PHE A 56 -18.875 -0.598 -2.506 1.00 1.63 H new ATOM 0 HD2 PHE A 56 -14.879 -1.360 -1.254 1.00 1.30 H new ATOM 0 HE1 PHE A 56 -18.451 1.817 -2.380 1.00 1.51 H new ATOM 0 HE2 PHE A 56 -14.455 1.053 -1.133 1.00 1.24 H new ATOM 0 HZ PHE A 56 -16.241 2.647 -1.695 1.00 0.99 H new ATOM 903 N GLY A 57 -18.855 -5.157 -0.035 1.00 2.70 N ATOM 904 CA GLY A 57 -19.004 -6.636 -0.061 1.00 3.77 C ATOM 905 C GLY A 57 -20.235 -7.070 -0.843 1.00 4.43 C ATOM 906 O GLY A 57 -20.778 -8.129 -0.600 1.00 4.85 O ATOM 0 H GLY A 57 -19.112 -4.705 0.842 1.00 2.70 H new ATOM 0 HA2 GLY A 57 -18.115 -7.082 -0.507 1.00 3.77 H new ATOM 0 HA3 GLY A 57 -19.072 -7.012 0.960 1.00 3.77 H new ATOM 910 N ASP A 58 -20.663 -6.260 -1.768 1.00 4.82 N ATOM 911 CA ASP A 58 -21.858 -6.630 -2.575 1.00 5.78 C ATOM 912 C ASP A 58 -21.383 -7.478 -3.741 1.00 6.31 C ATOM 913 O ASP A 58 -22.055 -7.596 -4.744 1.00 6.58 O ATOM 914 CB ASP A 58 -22.533 -5.381 -3.122 1.00 6.24 C ATOM 915 CG ASP A 58 -21.505 -4.635 -3.956 1.00 6.76 C ATOM 916 OD1 ASP A 58 -20.755 -3.887 -3.354 1.00 6.88 O ATOM 917 OD2 ASP A 58 -21.495 -4.840 -5.154 1.00 7.19 O ATOM 0 H ASP A 58 -20.240 -5.361 -2.000 1.00 4.82 H new ATOM 0 HA ASP A 58 -22.571 -7.172 -1.954 1.00 5.78 H new ATOM 0 HB2 ASP A 58 -23.399 -5.647 -3.729 1.00 6.24 H new ATOM 0 HB3 ASP A 58 -22.895 -4.753 -2.308 1.00 6.24 H new ATOM 922 N ASP A 59 -20.222 -8.051 -3.582 1.00 6.74 N ATOM 923 CA ASP A 59 -19.655 -8.907 -4.658 1.00 7.58 C ATOM 924 C ASP A 59 -20.573 -10.093 -4.855 1.00 8.01 C ATOM 925 O ASP A 59 -20.412 -11.103 -4.201 1.00 8.18 O ATOM 926 CB ASP A 59 -18.277 -9.454 -4.276 1.00 8.09 C ATOM 927 CG ASP A 59 -17.292 -8.316 -4.055 1.00 8.40 C ATOM 928 OD1 ASP A 59 -17.507 -7.604 -3.092 1.00 8.56 O ATOM 929 OD2 ASP A 59 -16.378 -8.211 -4.854 1.00 8.62 O ATOM 0 H ASP A 59 -19.640 -7.962 -2.749 1.00 6.74 H new ATOM 0 HA ASP A 59 -19.561 -8.302 -5.560 1.00 7.58 H new ATOM 0 HB2 ASP A 59 -18.357 -10.055 -3.370 1.00 8.09 H new ATOM 0 HB3 ASP A 59 -17.910 -10.112 -5.063 1.00 8.09 H new ATOM 934 N GLY A 60 -21.520 -9.982 -5.734 1.00 8.32 N ATOM 935 CA GLY A 60 -22.409 -11.150 -5.922 1.00 8.93 C ATOM 936 C GLY A 60 -23.458 -10.830 -6.968 1.00 9.28 C ATOM 937 O GLY A 60 -24.047 -11.723 -7.542 1.00 9.74 O ATOM 0 H GLY A 60 -21.714 -9.164 -6.312 1.00 8.32 H new ATOM 0 HA2 GLY A 60 -21.826 -12.017 -6.231 1.00 8.93 H new ATOM 0 HA3 GLY A 60 -22.889 -11.409 -4.979 1.00 8.93 H new ATOM 941 N GLU A 61 -23.683 -9.570 -7.202 1.00 9.25 N ATOM 942 CA GLU A 61 -24.700 -9.236 -8.228 1.00 9.85 C ATOM 943 C GLU A 61 -24.152 -9.730 -9.558 1.00 10.44 C ATOM 944 O GLU A 61 -24.893 -10.029 -10.473 1.00 10.96 O ATOM 945 CB GLU A 61 -24.896 -7.732 -8.227 1.00 9.95 C ATOM 946 CG GLU A 61 -25.380 -7.344 -6.832 1.00 9.52 C ATOM 947 CD GLU A 61 -25.128 -5.865 -6.680 1.00 9.36 C ATOM 948 OE1 GLU A 61 -24.008 -5.589 -6.305 1.00 9.14 O ATOM 949 OE2 GLU A 61 -26.029 -5.088 -6.938 1.00 9.60 O ATOM 0 H GLU A 61 -23.224 -8.782 -6.745 1.00 9.25 H new ATOM 0 HA GLU A 61 -25.667 -9.702 -8.036 1.00 9.85 H new ATOM 0 HB2 GLU A 61 -23.963 -7.222 -8.467 1.00 9.95 H new ATOM 0 HB3 GLU A 61 -25.624 -7.438 -8.983 1.00 9.95 H new ATOM 0 HG2 GLU A 61 -26.440 -7.570 -6.714 1.00 9.52 H new ATOM 0 HG3 GLU A 61 -24.846 -7.908 -6.067 1.00 9.52 H new ATOM 956 N ASN A 62 -22.853 -9.802 -9.634 1.00 10.52 N ATOM 957 CA ASN A 62 -22.258 -10.302 -10.901 1.00 11.24 C ATOM 958 C ASN A 62 -22.302 -11.801 -10.786 1.00 11.48 C ATOM 959 O ASN A 62 -21.739 -12.348 -9.858 1.00 11.62 O ATOM 960 CB ASN A 62 -20.796 -9.905 -11.059 1.00 11.72 C ATOM 961 CG ASN A 62 -20.311 -10.380 -12.441 1.00 12.30 C ATOM 962 OD1 ASN A 62 -19.862 -9.578 -13.236 1.00 12.60 O ATOM 963 ND2 ASN A 62 -20.368 -11.640 -12.786 1.00 12.60 N ATOM 0 H ASN A 62 -22.195 -9.545 -8.898 1.00 10.52 H new ATOM 0 HA ASN A 62 -22.804 -9.891 -11.750 1.00 11.24 H new ATOM 0 HB2 ASN A 62 -20.684 -8.825 -10.968 1.00 11.72 H new ATOM 0 HB3 ASN A 62 -20.193 -10.355 -10.270 1.00 11.72 H new ATOM 0 HD21 ASN A 62 -20.039 -11.932 -13.706 1.00 12.60 H new ATOM 0 HD22 ASN A 62 -20.741 -12.331 -12.135 1.00 12.60 H new ATOM 970 N LEU A 63 -22.960 -12.410 -11.726 1.00 11.67 N ATOM 971 CA LEU A 63 -23.077 -13.886 -11.747 1.00 12.09 C ATOM 972 C LEU A 63 -22.658 -14.221 -13.158 1.00 12.33 C ATOM 973 O LEU A 63 -22.606 -15.397 -13.469 1.00 12.50 O ATOM 974 CB LEU A 63 -24.525 -14.303 -11.519 1.00 12.49 C ATOM 975 CG LEU A 63 -25.012 -13.764 -10.153 1.00 12.64 C ATOM 976 CD1 LEU A 63 -26.521 -14.020 -10.013 1.00 12.78 C ATOM 977 CD2 LEU A 63 -24.277 -14.500 -9.018 1.00 12.96 C ATOM 978 OXT LEU A 63 -22.418 -13.238 -13.838 1.00 12.46 O ATOM 0 H LEU A 63 -23.431 -11.935 -12.496 1.00 11.67 H new ATOM 0 HA LEU A 63 -22.486 -14.385 -10.979 1.00 12.09 H new ATOM 0 HB2 LEU A 63 -25.156 -13.916 -12.320 1.00 12.49 H new ATOM 0 HB3 LEU A 63 -24.609 -15.389 -11.543 1.00 12.49 H new ATOM 0 HG LEU A 63 -24.808 -12.695 -10.094 1.00 12.64 H new ATOM 0 HD11 LEU A 63 -26.867 -13.641 -9.051 1.00 12.78 H new ATOM 0 HD12 LEU A 63 -27.053 -13.510 -10.816 1.00 12.78 H new ATOM 0 HD13 LEU A 63 -26.715 -15.091 -10.072 1.00 12.78 H new ATOM 0 HD21 LEU A 63 -24.620 -14.120 -8.056 1.00 12.96 H new ATOM 0 HD22 LEU A 63 -24.486 -15.568 -9.082 1.00 12.96 H new ATOM 0 HD23 LEU A 63 -23.204 -14.334 -9.112 1.00 12.96 H new TER 990 LEU A 63 ATOM 991 N MET B 1 21.438 3.468 -4.817 1.00 3.37 N ATOM 992 CA MET B 1 22.339 3.879 -5.908 1.00 3.57 C ATOM 993 C MET B 1 21.903 3.104 -7.136 1.00 3.47 C ATOM 994 O MET B 1 21.461 3.664 -8.118 1.00 4.06 O ATOM 995 CB MET B 1 23.794 3.533 -5.576 1.00 3.97 C ATOM 996 CG MET B 1 24.250 4.334 -4.346 1.00 4.33 C ATOM 997 SD MET B 1 24.223 6.140 -4.473 1.00 4.83 S ATOM 998 CE MET B 1 22.728 6.486 -3.510 1.00 5.37 C ATOM 0 H1 MET B 1 21.202 4.295 -4.232 1.00 3.37 H new ATOM 0 H2 MET B 1 20.566 3.068 -5.219 1.00 3.37 H new ATOM 0 H3 MET B 1 21.909 2.751 -4.229 1.00 3.37 H new ATOM 0 HA MET B 1 22.285 4.956 -6.064 1.00 3.57 H new ATOM 0 HB2 MET B 1 23.888 2.465 -5.382 1.00 3.97 H new ATOM 0 HB3 MET B 1 24.435 3.760 -6.428 1.00 3.97 H new ATOM 0 HG2 MET B 1 23.621 4.046 -3.504 1.00 4.33 H new ATOM 0 HG3 MET B 1 25.268 4.028 -4.103 1.00 4.33 H new ATOM 0 HE1 MET B 1 22.632 7.561 -3.361 1.00 5.37 H new ATOM 0 HE2 MET B 1 21.855 6.115 -4.047 1.00 5.37 H new ATOM 0 HE3 MET B 1 22.796 5.990 -2.542 1.00 5.37 H new ATOM 1010 N THR B 2 22.051 1.819 -7.035 1.00 2.92 N ATOM 1011 CA THR B 2 21.664 0.936 -8.149 1.00 2.99 C ATOM 1012 C THR B 2 20.195 1.227 -8.449 1.00 2.72 C ATOM 1013 O THR B 2 19.419 1.502 -7.553 1.00 2.84 O ATOM 1014 CB THR B 2 21.903 -0.477 -7.665 1.00 3.22 C ATOM 1015 OG1 THR B 2 23.162 -0.347 -7.019 1.00 3.49 O ATOM 1016 CG2 THR B 2 22.169 -1.423 -8.844 1.00 4.02 C ATOM 0 H THR B 2 22.428 1.341 -6.217 1.00 2.92 H new ATOM 0 HA THR B 2 22.230 1.087 -9.068 1.00 2.99 H new ATOM 0 HB THR B 2 21.067 -0.857 -7.077 1.00 3.22 H new ATOM 0 HG1 THR B 2 23.433 -1.215 -6.653 1.00 3.49 H new ATOM 0 HG21 THR B 2 22.338 -2.433 -8.469 1.00 4.02 H new ATOM 0 HG22 THR B 2 21.308 -1.423 -9.512 1.00 4.02 H new ATOM 0 HG23 THR B 2 23.051 -1.086 -9.389 1.00 4.02 H new ATOM 1024 N LYS B 3 19.841 1.158 -9.702 1.00 2.63 N ATOM 1025 CA LYS B 3 18.429 1.450 -10.041 1.00 2.60 C ATOM 1026 C LYS B 3 17.480 0.518 -9.329 1.00 2.17 C ATOM 1027 O LYS B 3 16.314 0.823 -9.230 1.00 2.07 O ATOM 1028 CB LYS B 3 18.145 1.285 -11.537 1.00 3.03 C ATOM 1029 CG LYS B 3 18.449 -0.165 -12.000 1.00 3.61 C ATOM 1030 CD LYS B 3 17.501 -0.549 -13.151 1.00 3.98 C ATOM 1031 CE LYS B 3 16.343 -1.444 -12.611 1.00 4.65 C ATOM 1032 NZ LYS B 3 15.692 -0.876 -11.395 1.00 4.95 N ATOM 0 H LYS B 3 20.451 0.919 -10.483 1.00 2.63 H new ATOM 0 HA LYS B 3 18.273 2.484 -9.732 1.00 2.60 H new ATOM 0 HB2 LYS B 3 17.102 1.526 -11.742 1.00 3.03 H new ATOM 0 HB3 LYS B 3 18.753 1.988 -12.107 1.00 3.03 H new ATOM 0 HG2 LYS B 3 19.486 -0.243 -12.328 1.00 3.61 H new ATOM 0 HG3 LYS B 3 18.325 -0.857 -11.167 1.00 3.61 H new ATOM 0 HD2 LYS B 3 17.092 0.350 -13.612 1.00 3.98 H new ATOM 0 HD3 LYS B 3 18.053 -1.082 -13.925 1.00 3.98 H new ATOM 0 HE2 LYS B 3 15.594 -1.572 -13.392 1.00 4.65 H new ATOM 0 HE3 LYS B 3 16.734 -2.435 -12.379 1.00 4.65 H new ATOM 0 HZ1 LYS B 3 14.668 -1.051 -11.436 1.00 4.95 H new ATOM 0 HZ2 LYS B 3 16.087 -1.329 -10.546 1.00 4.95 H new ATOM 0 HZ3 LYS B 3 15.867 0.148 -11.354 1.00 4.95 H new ATOM 1046 N GLN B 4 17.960 -0.593 -8.855 1.00 2.02 N ATOM 1047 CA GLN B 4 17.005 -1.506 -8.187 1.00 1.74 C ATOM 1048 C GLN B 4 16.614 -0.851 -6.886 1.00 1.34 C ATOM 1049 O GLN B 4 15.461 -0.890 -6.512 1.00 1.25 O ATOM 1050 CB GLN B 4 17.671 -2.864 -7.920 1.00 1.87 C ATOM 1051 CG GLN B 4 16.600 -3.932 -7.639 1.00 2.66 C ATOM 1052 CD GLN B 4 15.916 -4.321 -8.954 1.00 3.34 C ATOM 1053 OE1 GLN B 4 15.891 -3.557 -9.905 1.00 3.63 O ATOM 1054 NE2 GLN B 4 15.355 -5.497 -9.044 1.00 4.09 N ATOM 0 H GLN B 4 18.932 -0.899 -8.898 1.00 2.02 H new ATOM 0 HA GLN B 4 16.130 -1.684 -8.812 1.00 1.74 H new ATOM 0 HB2 GLN B 4 18.272 -3.158 -8.780 1.00 1.87 H new ATOM 0 HB3 GLN B 4 18.348 -2.785 -7.070 1.00 1.87 H new ATOM 0 HG2 GLN B 4 17.056 -4.809 -7.180 1.00 2.66 H new ATOM 0 HG3 GLN B 4 15.864 -3.548 -6.932 1.00 2.66 H new ATOM 0 HE21 GLN B 4 15.377 -6.135 -8.248 1.00 4.09 H new ATOM 0 HE22 GLN B 4 14.895 -5.778 -9.910 1.00 4.09 H new ATOM 1063 N GLU B 5 17.580 -0.270 -6.239 1.00 1.21 N ATOM 1064 CA GLU B 5 17.273 0.398 -4.955 1.00 0.96 C ATOM 1065 C GLU B 5 16.243 1.465 -5.280 1.00 0.95 C ATOM 1066 O GLU B 5 15.248 1.623 -4.604 1.00 0.82 O ATOM 1067 CB GLU B 5 18.531 1.042 -4.408 1.00 1.13 C ATOM 1068 CG GLU B 5 19.614 -0.013 -4.206 1.00 1.56 C ATOM 1069 CD GLU B 5 20.903 0.738 -3.915 1.00 1.97 C ATOM 1070 OE1 GLU B 5 20.865 1.575 -3.035 1.00 2.36 O ATOM 1071 OE2 GLU B 5 21.870 0.453 -4.593 1.00 2.53 O ATOM 0 H GLU B 5 18.554 -0.230 -6.539 1.00 1.21 H new ATOM 0 HA GLU B 5 16.901 -0.303 -4.208 1.00 0.96 H new ATOM 0 HB2 GLU B 5 18.884 1.810 -5.096 1.00 1.13 H new ATOM 0 HB3 GLU B 5 18.314 1.537 -3.462 1.00 1.13 H new ATOM 0 HG2 GLU B 5 19.358 -0.678 -3.381 1.00 1.56 H new ATOM 0 HG3 GLU B 5 19.720 -0.635 -5.095 1.00 1.56 H new ATOM 1078 N LYS B 6 16.528 2.172 -6.333 1.00 1.22 N ATOM 1079 CA LYS B 6 15.607 3.252 -6.762 1.00 1.36 C ATOM 1080 C LYS B 6 14.223 2.699 -7.061 1.00 1.20 C ATOM 1081 O LYS B 6 13.232 3.318 -6.740 1.00 1.18 O ATOM 1082 CB LYS B 6 16.178 3.926 -8.024 1.00 1.75 C ATOM 1083 CG LYS B 6 15.222 4.998 -8.595 1.00 2.49 C ATOM 1084 CD LYS B 6 14.855 6.119 -7.603 1.00 2.98 C ATOM 1085 CE LYS B 6 16.057 7.041 -7.330 1.00 3.67 C ATOM 1086 NZ LYS B 6 17.128 6.375 -6.538 1.00 3.78 N ATOM 0 H LYS B 6 17.357 2.048 -6.914 1.00 1.22 H new ATOM 0 HA LYS B 6 15.517 3.979 -5.955 1.00 1.36 H new ATOM 0 HB2 LYS B 6 17.137 4.386 -7.786 1.00 1.75 H new ATOM 0 HB3 LYS B 6 16.368 3.168 -8.784 1.00 1.75 H new ATOM 0 HG2 LYS B 6 15.683 5.446 -9.476 1.00 2.49 H new ATOM 0 HG3 LYS B 6 14.306 4.510 -8.928 1.00 2.49 H new ATOM 0 HD2 LYS B 6 14.028 6.705 -8.003 1.00 2.98 H new ATOM 0 HD3 LYS B 6 14.511 5.680 -6.667 1.00 2.98 H new ATOM 0 HE2 LYS B 6 16.471 7.380 -8.279 1.00 3.67 H new ATOM 0 HE3 LYS B 6 15.715 7.928 -6.796 1.00 3.67 H new ATOM 0 HZ1 LYS B 6 17.683 7.094 -6.031 1.00 3.78 H new ATOM 0 HZ2 LYS B 6 16.698 5.722 -5.852 1.00 3.78 H new ATOM 0 HZ3 LYS B 6 17.753 5.843 -7.177 1.00 3.78 H new ATOM 1100 N THR B 7 14.155 1.553 -7.663 1.00 1.23 N ATOM 1101 CA THR B 7 12.808 1.034 -7.984 1.00 1.25 C ATOM 1102 C THR B 7 12.096 0.653 -6.686 1.00 0.98 C ATOM 1103 O THR B 7 10.921 0.909 -6.520 1.00 0.93 O ATOM 1104 CB THR B 7 12.980 -0.179 -8.905 1.00 1.53 C ATOM 1105 OG1 THR B 7 13.878 0.266 -9.917 1.00 1.77 O ATOM 1106 CG2 THR B 7 11.677 -0.463 -9.669 1.00 1.82 C ATOM 0 H THR B 7 14.945 0.970 -7.939 1.00 1.23 H new ATOM 0 HA THR B 7 12.201 1.785 -8.490 1.00 1.25 H new ATOM 0 HB THR B 7 13.292 -1.050 -8.330 1.00 1.53 H new ATOM 0 HG1 THR B 7 14.788 0.303 -9.554 1.00 1.77 H new ATOM 0 HG21 THR B 7 11.817 -1.327 -10.318 1.00 1.82 H new ATOM 0 HG22 THR B 7 10.876 -0.669 -8.959 1.00 1.82 H new ATOM 0 HG23 THR B 7 11.413 0.405 -10.273 1.00 1.82 H new ATOM 1114 N ALA B 8 12.831 0.053 -5.795 1.00 0.87 N ATOM 1115 CA ALA B 8 12.208 -0.371 -4.515 1.00 0.79 C ATOM 1116 C ALA B 8 11.668 0.847 -3.800 1.00 0.62 C ATOM 1117 O ALA B 8 10.530 0.896 -3.382 1.00 0.70 O ATOM 1118 CB ALA B 8 13.252 -1.049 -3.633 1.00 0.81 C ATOM 0 H ALA B 8 13.823 -0.160 -5.895 1.00 0.87 H new ATOM 0 HA ALA B 8 11.399 -1.072 -4.720 1.00 0.79 H new ATOM 0 HB1 ALA B 8 12.791 -1.358 -2.695 1.00 0.81 H new ATOM 0 HB2 ALA B 8 13.650 -1.924 -4.147 1.00 0.81 H new ATOM 0 HB3 ALA B 8 14.062 -0.350 -3.425 1.00 0.81 H new ATOM 1124 N LEU B 9 12.544 1.798 -3.697 1.00 0.59 N ATOM 1125 CA LEU B 9 12.212 3.067 -3.012 1.00 0.73 C ATOM 1126 C LEU B 9 10.964 3.642 -3.652 1.00 0.60 C ATOM 1127 O LEU B 9 10.020 4.031 -2.994 1.00 0.61 O ATOM 1128 CB LEU B 9 13.363 4.034 -3.191 1.00 1.09 C ATOM 1129 CG LEU B 9 13.138 5.281 -2.339 1.00 1.65 C ATOM 1130 CD1 LEU B 9 14.000 5.179 -1.068 1.00 1.96 C ATOM 1131 CD2 LEU B 9 13.525 6.497 -3.173 1.00 2.37 C ATOM 0 H LEU B 9 13.494 1.748 -4.066 1.00 0.59 H new ATOM 0 HA LEU B 9 12.041 2.897 -1.949 1.00 0.73 H new ATOM 0 HB2 LEU B 9 14.299 3.554 -2.906 1.00 1.09 H new ATOM 0 HB3 LEU B 9 13.454 4.313 -4.241 1.00 1.09 H new ATOM 0 HG LEU B 9 12.095 5.374 -2.036 1.00 1.65 H new ATOM 0 HD11 LEU B 9 13.847 6.065 -0.452 1.00 1.96 H new ATOM 0 HD12 LEU B 9 13.713 4.291 -0.504 1.00 1.96 H new ATOM 0 HD13 LEU B 9 15.052 5.108 -1.346 1.00 1.96 H new ATOM 0 HD21 LEU B 9 13.373 7.403 -2.587 1.00 2.37 H new ATOM 0 HD22 LEU B 9 14.574 6.422 -3.461 1.00 2.37 H new ATOM 0 HD23 LEU B 9 12.905 6.536 -4.069 1.00 2.37 H new ATOM 1143 N ASN B 10 11.006 3.674 -4.948 1.00 0.60 N ATOM 1144 CA ASN B 10 9.860 4.241 -5.692 1.00 0.63 C ATOM 1145 C ASN B 10 8.590 3.471 -5.481 1.00 0.57 C ATOM 1146 O ASN B 10 7.533 4.065 -5.486 1.00 0.57 O ATOM 1147 CB ASN B 10 10.172 4.266 -7.179 1.00 0.76 C ATOM 1148 CG ASN B 10 11.226 5.351 -7.393 1.00 1.34 C ATOM 1149 OD1 ASN B 10 11.908 5.738 -6.465 1.00 1.67 O ATOM 1150 ND2 ASN B 10 11.396 5.868 -8.578 1.00 2.15 N ATOM 0 H ASN B 10 11.779 3.334 -5.521 1.00 0.60 H new ATOM 0 HA ASN B 10 9.707 5.250 -5.308 1.00 0.63 H new ATOM 0 HB2 ASN B 10 10.543 3.297 -7.512 1.00 0.76 H new ATOM 0 HB3 ASN B 10 9.274 4.480 -7.758 1.00 0.76 H new ATOM 0 HD21 ASN B 10 12.099 6.593 -8.722 1.00 2.15 H new ATOM 0 HD22 ASN B 10 10.826 5.547 -9.361 1.00 2.15 H new ATOM 1157 N MET B 11 8.669 2.186 -5.298 1.00 0.60 N ATOM 1158 CA MET B 11 7.385 1.473 -5.093 1.00 0.65 C ATOM 1159 C MET B 11 6.856 1.822 -3.718 1.00 0.62 C ATOM 1160 O MET B 11 5.664 1.913 -3.522 1.00 0.68 O ATOM 1161 CB MET B 11 7.573 -0.037 -5.166 1.00 0.77 C ATOM 1162 CG MET B 11 7.853 -0.451 -6.614 1.00 1.18 C ATOM 1163 SD MET B 11 7.925 -2.226 -6.963 1.00 1.98 S ATOM 1164 CE MET B 11 9.548 -2.546 -6.233 1.00 2.42 C ATOM 0 H MET B 11 9.519 1.623 -5.281 1.00 0.60 H new ATOM 0 HA MET B 11 6.691 1.777 -5.876 1.00 0.65 H new ATOM 0 HB2 MET B 11 8.399 -0.342 -4.524 1.00 0.77 H new ATOM 0 HB3 MET B 11 6.680 -0.543 -4.799 1.00 0.77 H new ATOM 0 HG2 MET B 11 7.081 -0.013 -7.247 1.00 1.18 H new ATOM 0 HG3 MET B 11 8.802 -0.008 -6.915 1.00 1.18 H new ATOM 0 HE1 MET B 11 9.536 -3.513 -5.730 1.00 2.42 H new ATOM 0 HE2 MET B 11 10.305 -2.554 -7.018 1.00 2.42 H new ATOM 0 HE3 MET B 11 9.783 -1.764 -5.511 1.00 2.42 H new ATOM 1174 N ALA B 12 7.743 2.010 -2.785 1.00 0.58 N ATOM 1175 CA ALA B 12 7.246 2.352 -1.427 1.00 0.62 C ATOM 1176 C ALA B 12 6.555 3.694 -1.535 1.00 0.56 C ATOM 1177 O ALA B 12 5.417 3.866 -1.149 1.00 0.57 O ATOM 1178 CB ALA B 12 8.404 2.473 -0.449 1.00 0.67 C ATOM 0 H ALA B 12 8.755 1.945 -2.895 1.00 0.58 H new ATOM 0 HA ALA B 12 6.572 1.575 -1.066 1.00 0.62 H new ATOM 0 HB1 ALA B 12 8.020 2.724 0.540 1.00 0.67 H new ATOM 0 HB2 ALA B 12 8.940 1.525 -0.401 1.00 0.67 H new ATOM 0 HB3 ALA B 12 9.083 3.257 -0.784 1.00 0.67 H new ATOM 1184 N ARG B 13 7.306 4.607 -2.075 1.00 0.53 N ATOM 1185 CA ARG B 13 6.799 5.988 -2.258 1.00 0.50 C ATOM 1186 C ARG B 13 5.535 5.918 -3.113 1.00 0.49 C ATOM 1187 O ARG B 13 4.639 6.724 -2.965 1.00 0.51 O ATOM 1188 CB ARG B 13 7.917 6.814 -2.949 1.00 0.51 C ATOM 1189 CG ARG B 13 7.470 8.262 -3.209 1.00 0.61 C ATOM 1190 CD ARG B 13 8.573 8.987 -4.021 1.00 1.07 C ATOM 1191 NE ARG B 13 9.874 8.843 -3.315 1.00 1.86 N ATOM 1192 CZ ARG B 13 10.975 8.701 -4.020 1.00 2.52 C ATOM 1193 NH1 ARG B 13 11.014 7.724 -4.899 1.00 3.15 N ATOM 1194 NH2 ARG B 13 11.971 9.533 -3.816 1.00 3.08 N ATOM 0 H ARG B 13 8.260 4.452 -2.401 1.00 0.53 H new ATOM 0 HA ARG B 13 6.547 6.466 -1.311 1.00 0.50 H new ATOM 0 HB2 ARG B 13 8.810 6.815 -2.323 1.00 0.51 H new ATOM 0 HB3 ARG B 13 8.189 6.341 -3.893 1.00 0.51 H new ATOM 0 HG2 ARG B 13 6.528 8.273 -3.758 1.00 0.61 H new ATOM 0 HG3 ARG B 13 7.295 8.778 -2.265 1.00 0.61 H new ATOM 0 HD2 ARG B 13 8.641 8.564 -5.023 1.00 1.07 H new ATOM 0 HD3 ARG B 13 8.323 10.042 -4.136 1.00 1.07 H new ATOM 0 HE ARG B 13 9.912 8.854 -2.296 1.00 1.86 H new ATOM 0 HH11 ARG B 13 10.208 7.109 -5.014 1.00 3.15 H new ATOM 0 HH12 ARG B 13 11.850 7.581 -5.466 1.00 3.15 H new ATOM 0 HH21 ARG B 13 11.883 10.274 -3.120 1.00 3.08 H new ATOM 0 HH22 ARG B 13 12.833 9.438 -4.353 1.00 3.08 H new ATOM 1208 N PHE B 14 5.486 4.951 -3.984 1.00 0.52 N ATOM 1209 CA PHE B 14 4.286 4.853 -4.854 1.00 0.54 C ATOM 1210 C PHE B 14 3.080 4.509 -4.027 1.00 0.57 C ATOM 1211 O PHE B 14 2.079 5.188 -4.087 1.00 0.59 O ATOM 1212 CB PHE B 14 4.405 3.751 -5.905 1.00 0.62 C ATOM 1213 CG PHE B 14 3.106 3.764 -6.713 1.00 1.17 C ATOM 1214 CD1 PHE B 14 2.715 4.886 -7.424 1.00 1.81 C ATOM 1215 CD2 PHE B 14 2.303 2.644 -6.729 1.00 2.02 C ATOM 1216 CE1 PHE B 14 1.536 4.880 -8.139 1.00 2.50 C ATOM 1217 CE2 PHE B 14 1.124 2.636 -7.445 1.00 2.69 C ATOM 1218 CZ PHE B 14 0.738 3.755 -8.151 1.00 2.71 C ATOM 0 H PHE B 14 6.205 4.242 -4.129 1.00 0.52 H new ATOM 0 HA PHE B 14 4.195 5.822 -5.345 1.00 0.54 H new ATOM 0 HB2 PHE B 14 5.264 3.926 -6.553 1.00 0.62 H new ATOM 0 HB3 PHE B 14 4.555 2.781 -5.432 1.00 0.62 H new ATOM 0 HD1 PHE B 14 3.336 5.770 -7.419 1.00 1.81 H new ATOM 0 HD2 PHE B 14 2.599 1.765 -6.176 1.00 2.02 H new ATOM 0 HE1 PHE B 14 1.237 5.759 -8.691 1.00 2.50 H new ATOM 0 HE2 PHE B 14 0.503 1.752 -7.452 1.00 2.69 H new ATOM 0 HZ PHE B 14 -0.185 3.751 -8.711 1.00 2.71 H new ATOM 1228 N ILE B 15 3.200 3.461 -3.270 1.00 0.58 N ATOM 1229 CA ILE B 15 2.042 3.047 -2.454 1.00 0.63 C ATOM 1230 C ILE B 15 1.641 4.177 -1.525 1.00 0.59 C ATOM 1231 O ILE B 15 0.478 4.329 -1.218 1.00 0.62 O ATOM 1232 CB ILE B 15 2.422 1.792 -1.650 1.00 0.69 C ATOM 1233 CG1 ILE B 15 2.753 0.668 -2.651 1.00 0.79 C ATOM 1234 CG2 ILE B 15 1.211 1.372 -0.800 1.00 0.82 C ATOM 1235 CD1 ILE B 15 3.231 -0.592 -1.909 1.00 0.93 C ATOM 0 H ILE B 15 4.036 2.884 -3.183 1.00 0.58 H new ATOM 0 HA ILE B 15 1.194 2.815 -3.098 1.00 0.63 H new ATOM 0 HB ILE B 15 3.278 1.987 -1.003 1.00 0.69 H new ATOM 0 HG12 ILE B 15 1.871 0.433 -3.248 1.00 0.79 H new ATOM 0 HG13 ILE B 15 3.525 1.005 -3.342 1.00 0.79 H new ATOM 0 HG21 ILE B 15 1.463 0.482 -0.223 1.00 0.82 H new ATOM 0 HG22 ILE B 15 0.945 2.182 -0.121 1.00 0.82 H new ATOM 0 HG23 ILE B 15 0.366 1.153 -1.453 1.00 0.82 H new ATOM 0 HD11 ILE B 15 3.460 -1.375 -2.632 1.00 0.93 H new ATOM 0 HD12 ILE B 15 4.126 -0.357 -1.332 1.00 0.93 H new ATOM 0 HD13 ILE B 15 2.446 -0.938 -1.236 1.00 0.93 H new ATOM 1247 N ARG B 16 2.582 4.955 -1.083 1.00 0.58 N ATOM 1248 CA ARG B 16 2.160 6.040 -0.168 1.00 0.58 C ATOM 1249 C ARG B 16 1.185 6.953 -0.903 1.00 0.55 C ATOM 1250 O ARG B 16 0.054 7.131 -0.493 1.00 0.56 O ATOM 1251 CB ARG B 16 3.381 6.850 0.283 1.00 0.60 C ATOM 1252 CG ARG B 16 2.894 7.906 1.271 1.00 0.82 C ATOM 1253 CD ARG B 16 4.077 8.765 1.737 1.00 1.04 C ATOM 1254 NE ARG B 16 3.609 9.723 2.780 1.00 1.57 N ATOM 1255 CZ ARG B 16 3.732 9.383 4.044 1.00 2.08 C ATOM 1256 NH1 ARG B 16 4.909 9.486 4.617 1.00 2.60 N ATOM 1257 NH2 ARG B 16 2.670 8.947 4.681 1.00 2.68 N ATOM 0 H ARG B 16 3.577 4.894 -1.301 1.00 0.58 H new ATOM 0 HA ARG B 16 1.678 5.610 0.710 1.00 0.58 H new ATOM 0 HB2 ARG B 16 4.120 6.200 0.751 1.00 0.60 H new ATOM 0 HB3 ARG B 16 3.866 7.320 -0.572 1.00 0.60 H new ATOM 0 HG2 ARG B 16 2.138 8.535 0.802 1.00 0.82 H new ATOM 0 HG3 ARG B 16 2.422 7.426 2.128 1.00 0.82 H new ATOM 0 HD2 ARG B 16 4.867 8.130 2.138 1.00 1.04 H new ATOM 0 HD3 ARG B 16 4.502 9.308 0.893 1.00 1.04 H new ATOM 0 HE ARG B 16 3.203 10.621 2.519 1.00 1.57 H new ATOM 0 HH11 ARG B 16 5.709 9.825 4.082 1.00 2.60 H new ATOM 0 HH12 ARG B 16 5.024 9.227 5.597 1.00 2.60 H new ATOM 0 HH21 ARG B 16 1.776 8.878 4.195 1.00 2.68 H new ATOM 0 HH22 ARG B 16 2.739 8.677 5.662 1.00 2.68 H new ATOM 1271 N SER B 17 1.654 7.510 -1.977 1.00 0.57 N ATOM 1272 CA SER B 17 0.797 8.433 -2.756 1.00 0.60 C ATOM 1273 C SER B 17 -0.480 7.751 -3.245 1.00 0.56 C ATOM 1274 O SER B 17 -1.550 8.320 -3.215 1.00 0.55 O ATOM 1275 CB SER B 17 1.632 8.918 -3.915 1.00 0.68 C ATOM 1276 OG SER B 17 2.840 9.295 -3.264 1.00 0.72 O ATOM 0 H SER B 17 2.593 7.366 -2.349 1.00 0.57 H new ATOM 0 HA SER B 17 0.468 9.264 -2.132 1.00 0.60 H new ATOM 0 HB2 SER B 17 1.794 8.137 -4.658 1.00 0.68 H new ATOM 0 HB3 SER B 17 1.167 9.757 -4.432 1.00 0.68 H new ATOM 0 HG SER B 17 3.478 9.633 -3.927 1.00 0.72 H new ATOM 1282 N GLN B 18 -0.317 6.539 -3.678 1.00 0.57 N ATOM 1283 CA GLN B 18 -1.463 5.758 -4.206 1.00 0.57 C ATOM 1284 C GLN B 18 -2.541 5.730 -3.138 1.00 0.51 C ATOM 1285 O GLN B 18 -3.663 6.149 -3.345 1.00 0.51 O ATOM 1286 CB GLN B 18 -0.965 4.346 -4.526 1.00 0.65 C ATOM 1287 CG GLN B 18 -2.025 3.520 -5.240 1.00 0.91 C ATOM 1288 CD GLN B 18 -1.405 2.138 -5.453 1.00 1.11 C ATOM 1289 OE1 GLN B 18 -0.407 1.809 -4.841 1.00 1.80 O ATOM 1290 NE2 GLN B 18 -1.942 1.300 -6.297 1.00 1.05 N ATOM 0 H GLN B 18 0.577 6.047 -3.689 1.00 0.57 H new ATOM 0 HA GLN B 18 -1.876 6.200 -5.113 1.00 0.57 H new ATOM 0 HB2 GLN B 18 -0.072 4.408 -5.149 1.00 0.65 H new ATOM 0 HB3 GLN B 18 -0.675 3.845 -3.602 1.00 0.65 H new ATOM 0 HG2 GLN B 18 -2.935 3.452 -4.644 1.00 0.91 H new ATOM 0 HG3 GLN B 18 -2.300 3.976 -6.191 1.00 0.91 H new ATOM 0 HE21 GLN B 18 -2.779 1.565 -6.816 1.00 1.05 H new ATOM 0 HE22 GLN B 18 -1.525 0.380 -6.438 1.00 1.05 H new ATOM 1299 N THR B 19 -2.153 5.228 -2.009 1.00 0.48 N ATOM 1300 CA THR B 19 -3.097 5.131 -0.884 1.00 0.44 C ATOM 1301 C THR B 19 -3.635 6.518 -0.518 1.00 0.43 C ATOM 1302 O THR B 19 -4.738 6.636 -0.021 1.00 0.46 O ATOM 1303 CB THR B 19 -2.324 4.490 0.244 1.00 0.46 C ATOM 1304 OG1 THR B 19 -1.872 3.272 -0.335 1.00 0.56 O ATOM 1305 CG2 THR B 19 -3.253 4.061 1.363 1.00 0.48 C ATOM 0 H THR B 19 -1.214 4.879 -1.819 1.00 0.48 H new ATOM 0 HA THR B 19 -3.975 4.532 -1.126 1.00 0.44 H new ATOM 0 HB THR B 19 -1.563 5.164 0.636 1.00 0.46 H new ATOM 0 HG1 THR B 19 -0.943 3.374 -0.628 1.00 0.56 H new ATOM 0 HG21 THR B 19 -2.672 3.602 2.163 1.00 0.48 H new ATOM 0 HG22 THR B 19 -3.781 4.932 1.752 1.00 0.48 H new ATOM 0 HG23 THR B 19 -3.975 3.340 0.980 1.00 0.48 H new ATOM 1313 N LEU B 20 -2.857 7.531 -0.768 1.00 0.45 N ATOM 1314 CA LEU B 20 -3.342 8.893 -0.426 1.00 0.51 C ATOM 1315 C LEU B 20 -4.576 9.100 -1.289 1.00 0.53 C ATOM 1316 O LEU B 20 -5.649 9.386 -0.800 1.00 0.57 O ATOM 1317 CB LEU B 20 -2.257 9.930 -0.777 1.00 0.57 C ATOM 1318 CG LEU B 20 -2.484 11.294 -0.071 1.00 0.69 C ATOM 1319 CD1 LEU B 20 -1.260 12.187 -0.335 1.00 1.31 C ATOM 1320 CD2 LEU B 20 -3.722 12.031 -0.624 1.00 1.25 C ATOM 0 H LEU B 20 -1.927 7.479 -1.185 1.00 0.45 H new ATOM 0 HA LEU B 20 -3.568 9.004 0.634 1.00 0.51 H new ATOM 0 HB2 LEU B 20 -1.280 9.538 -0.495 1.00 0.57 H new ATOM 0 HB3 LEU B 20 -2.240 10.082 -1.856 1.00 0.57 H new ATOM 0 HG LEU B 20 -2.635 11.100 0.991 1.00 0.69 H new ATOM 0 HD11 LEU B 20 -1.401 13.151 0.154 1.00 1.31 H new ATOM 0 HD12 LEU B 20 -0.366 11.706 0.062 1.00 1.31 H new ATOM 0 HD13 LEU B 20 -1.144 12.338 -1.408 1.00 1.31 H new ATOM 0 HD21 LEU B 20 -3.844 12.980 -0.102 1.00 1.25 H new ATOM 0 HD22 LEU B 20 -3.589 12.217 -1.690 1.00 1.25 H new ATOM 0 HD23 LEU B 20 -4.609 11.417 -0.471 1.00 1.25 H new ATOM 1332 N THR B 21 -4.370 8.933 -2.561 1.00 0.59 N ATOM 1333 CA THR B 21 -5.476 9.125 -3.520 1.00 0.70 C ATOM 1334 C THR B 21 -6.644 8.192 -3.175 1.00 0.63 C ATOM 1335 O THR B 21 -7.782 8.463 -3.505 1.00 0.69 O ATOM 1336 CB THR B 21 -4.900 8.838 -4.896 1.00 0.85 C ATOM 1337 OG1 THR B 21 -3.644 9.511 -4.873 1.00 0.87 O ATOM 1338 CG2 THR B 21 -5.691 9.562 -5.997 1.00 1.02 C ATOM 0 H THR B 21 -3.476 8.670 -2.976 1.00 0.59 H new ATOM 0 HA THR B 21 -5.877 10.138 -3.486 1.00 0.70 H new ATOM 0 HB THR B 21 -4.888 7.766 -5.091 1.00 0.85 H new ATOM 0 HG1 THR B 21 -3.188 9.381 -5.731 1.00 0.87 H new ATOM 0 HG21 THR B 21 -5.253 9.335 -6.969 1.00 1.02 H new ATOM 0 HG22 THR B 21 -6.728 9.227 -5.980 1.00 1.02 H new ATOM 0 HG23 THR B 21 -5.654 10.638 -5.824 1.00 1.02 H new ATOM 1346 N LEU B 22 -6.363 7.103 -2.521 1.00 0.54 N ATOM 1347 CA LEU B 22 -7.506 6.221 -2.190 1.00 0.52 C ATOM 1348 C LEU B 22 -8.198 6.763 -0.964 1.00 0.45 C ATOM 1349 O LEU B 22 -9.385 6.593 -0.817 1.00 0.49 O ATOM 1350 CB LEU B 22 -7.047 4.799 -1.879 1.00 0.59 C ATOM 1351 CG LEU B 22 -6.425 4.140 -3.127 1.00 0.89 C ATOM 1352 CD1 LEU B 22 -5.971 2.728 -2.740 1.00 1.71 C ATOM 1353 CD2 LEU B 22 -7.468 4.019 -4.260 1.00 1.25 C ATOM 0 H LEU B 22 -5.439 6.797 -2.215 1.00 0.54 H new ATOM 0 HA LEU B 22 -8.173 6.196 -3.052 1.00 0.52 H new ATOM 0 HB2 LEU B 22 -6.317 4.816 -1.069 1.00 0.59 H new ATOM 0 HB3 LEU B 22 -7.894 4.206 -1.533 1.00 0.59 H new ATOM 0 HG LEU B 22 -5.592 4.750 -3.477 1.00 0.89 H new ATOM 0 HD11 LEU B 22 -5.526 2.238 -3.606 1.00 1.71 H new ATOM 0 HD12 LEU B 22 -5.233 2.789 -1.940 1.00 1.71 H new ATOM 0 HD13 LEU B 22 -6.830 2.151 -2.398 1.00 1.71 H new ATOM 0 HD21 LEU B 22 -7.007 3.552 -5.130 1.00 1.25 H new ATOM 0 HD22 LEU B 22 -8.305 3.409 -3.921 1.00 1.25 H new ATOM 0 HD23 LEU B 22 -7.829 5.011 -4.530 1.00 1.25 H new ATOM 1365 N LEU B 23 -7.473 7.404 -0.100 1.00 0.43 N ATOM 1366 CA LEU B 23 -8.155 7.921 1.112 1.00 0.44 C ATOM 1367 C LEU B 23 -9.190 8.916 0.652 1.00 0.48 C ATOM 1368 O LEU B 23 -10.362 8.772 0.937 1.00 0.52 O ATOM 1369 CB LEU B 23 -7.114 8.600 2.033 1.00 0.53 C ATOM 1370 CG LEU B 23 -7.739 9.118 3.359 1.00 0.73 C ATOM 1371 CD1 LEU B 23 -6.601 9.310 4.369 1.00 1.08 C ATOM 1372 CD2 LEU B 23 -8.401 10.507 3.182 1.00 1.05 C ATOM 0 H LEU B 23 -6.473 7.589 -0.173 1.00 0.43 H new ATOM 0 HA LEU B 23 -8.632 7.119 1.675 1.00 0.44 H new ATOM 0 HB2 LEU B 23 -6.319 7.890 2.263 1.00 0.53 H new ATOM 0 HB3 LEU B 23 -6.653 9.433 1.503 1.00 0.53 H new ATOM 0 HG LEU B 23 -8.489 8.397 3.682 1.00 0.73 H new ATOM 0 HD11 LEU B 23 -7.009 9.674 5.312 1.00 1.08 H new ATOM 0 HD12 LEU B 23 -6.097 8.358 4.535 1.00 1.08 H new ATOM 0 HD13 LEU B 23 -5.887 10.035 3.979 1.00 1.08 H new ATOM 0 HD21 LEU B 23 -8.825 10.832 4.132 1.00 1.05 H new ATOM 0 HD22 LEU B 23 -7.652 11.228 2.854 1.00 1.05 H new ATOM 0 HD23 LEU B 23 -9.192 10.440 2.435 1.00 1.05 H new ATOM 1384 N GLU B 24 -8.731 9.906 -0.052 1.00 0.57 N ATOM 1385 CA GLU B 24 -9.694 10.930 -0.514 1.00 0.71 C ATOM 1386 C GLU B 24 -10.796 10.343 -1.384 1.00 0.67 C ATOM 1387 O GLU B 24 -11.953 10.413 -1.040 1.00 0.69 O ATOM 1388 CB GLU B 24 -8.941 12.009 -1.305 1.00 0.90 C ATOM 1389 CG GLU B 24 -7.758 11.414 -2.047 1.00 1.37 C ATOM 1390 CD GLU B 24 -7.536 12.289 -3.265 1.00 1.52 C ATOM 1391 OE1 GLU B 24 -7.458 13.485 -3.067 1.00 1.84 O ATOM 1392 OE2 GLU B 24 -7.471 11.722 -4.339 1.00 1.83 O ATOM 0 H GLU B 24 -7.758 10.048 -0.321 1.00 0.57 H new ATOM 0 HA GLU B 24 -10.169 11.357 0.369 1.00 0.71 H new ATOM 0 HB2 GLU B 24 -9.618 12.484 -2.015 1.00 0.90 H new ATOM 0 HB3 GLU B 24 -8.594 12.788 -0.626 1.00 0.90 H new ATOM 0 HG2 GLU B 24 -6.871 11.396 -1.414 1.00 1.37 H new ATOM 0 HG3 GLU B 24 -7.961 10.384 -2.340 1.00 1.37 H new ATOM 1399 N LYS B 25 -10.426 9.768 -2.489 1.00 0.67 N ATOM 1400 CA LYS B 25 -11.466 9.218 -3.393 1.00 0.72 C ATOM 1401 C LYS B 25 -12.392 8.211 -2.732 1.00 0.68 C ATOM 1402 O LYS B 25 -13.566 8.195 -3.033 1.00 0.75 O ATOM 1403 CB LYS B 25 -10.765 8.576 -4.588 1.00 0.81 C ATOM 1404 CG LYS B 25 -9.952 9.683 -5.293 1.00 0.95 C ATOM 1405 CD LYS B 25 -10.895 10.636 -6.049 1.00 1.36 C ATOM 1406 CE LYS B 25 -10.334 12.073 -5.992 1.00 1.57 C ATOM 1407 NZ LYS B 25 -10.204 12.543 -4.590 1.00 1.86 N ATOM 0 H LYS B 25 -9.462 9.656 -2.803 1.00 0.67 H new ATOM 0 HA LYS B 25 -12.106 10.046 -3.697 1.00 0.72 H new ATOM 0 HB2 LYS B 25 -10.111 7.768 -4.261 1.00 0.81 H new ATOM 0 HB3 LYS B 25 -11.493 8.140 -5.272 1.00 0.81 H new ATOM 0 HG2 LYS B 25 -9.371 10.241 -4.559 1.00 0.95 H new ATOM 0 HG3 LYS B 25 -9.241 9.236 -5.988 1.00 0.95 H new ATOM 0 HD2 LYS B 25 -10.997 10.316 -7.086 1.00 1.36 H new ATOM 0 HD3 LYS B 25 -11.891 10.606 -5.606 1.00 1.36 H new ATOM 0 HE2 LYS B 25 -9.360 12.106 -6.481 1.00 1.57 H new ATOM 0 HE3 LYS B 25 -10.991 12.745 -6.544 1.00 1.57 H new ATOM 0 HZ1 LYS B 25 -9.384 13.178 -4.511 1.00 1.86 H new ATOM 0 HZ2 LYS B 25 -11.066 13.055 -4.314 1.00 1.86 H new ATOM 0 HZ3 LYS B 25 -10.070 11.726 -3.961 1.00 1.86 H new ATOM 1421 N LEU B 26 -11.903 7.386 -1.855 1.00 0.65 N ATOM 1422 CA LEU B 26 -12.869 6.435 -1.245 1.00 0.67 C ATOM 1423 C LEU B 26 -13.738 7.215 -0.288 1.00 0.65 C ATOM 1424 O LEU B 26 -14.882 6.882 -0.070 1.00 0.73 O ATOM 1425 CB LEU B 26 -12.138 5.321 -0.480 1.00 0.68 C ATOM 1426 CG LEU B 26 -11.881 4.144 -1.467 1.00 0.80 C ATOM 1427 CD1 LEU B 26 -11.011 4.556 -2.672 1.00 1.21 C ATOM 1428 CD2 LEU B 26 -11.214 2.987 -0.721 1.00 1.22 C ATOM 0 H LEU B 26 -10.933 7.326 -1.546 1.00 0.65 H new ATOM 0 HA LEU B 26 -13.466 5.967 -2.028 1.00 0.67 H new ATOM 0 HB2 LEU B 26 -11.196 5.692 -0.076 1.00 0.68 H new ATOM 0 HB3 LEU B 26 -12.737 4.984 0.366 1.00 0.68 H new ATOM 0 HG LEU B 26 -12.849 3.835 -1.861 1.00 0.80 H new ATOM 0 HD11 LEU B 26 -10.865 3.696 -3.326 1.00 1.21 H new ATOM 0 HD12 LEU B 26 -11.509 5.352 -3.225 1.00 1.21 H new ATOM 0 HD13 LEU B 26 -10.043 4.911 -2.318 1.00 1.21 H new ATOM 0 HD21 LEU B 26 -11.034 2.164 -1.412 1.00 1.22 H new ATOM 0 HD22 LEU B 26 -10.265 3.323 -0.302 1.00 1.22 H new ATOM 0 HD23 LEU B 26 -11.866 2.649 0.084 1.00 1.22 H new ATOM 1440 N ASN B 27 -13.174 8.246 0.264 1.00 0.60 N ATOM 1441 CA ASN B 27 -13.980 9.057 1.211 1.00 0.66 C ATOM 1442 C ASN B 27 -15.135 9.613 0.399 1.00 0.68 C ATOM 1443 O ASN B 27 -16.281 9.575 0.797 1.00 0.79 O ATOM 1444 CB ASN B 27 -13.157 10.209 1.755 1.00 0.76 C ATOM 1445 CG ASN B 27 -13.940 10.853 2.888 1.00 1.02 C ATOM 1446 OD1 ASN B 27 -14.798 11.688 2.679 1.00 1.70 O ATOM 1447 ND2 ASN B 27 -13.665 10.484 4.107 1.00 1.70 N ATOM 0 H ASN B 27 -12.215 8.558 0.108 1.00 0.60 H new ATOM 0 HA ASN B 27 -14.316 8.456 2.056 1.00 0.66 H new ATOM 0 HB2 ASN B 27 -12.192 9.851 2.114 1.00 0.76 H new ATOM 0 HB3 ASN B 27 -12.955 10.937 0.969 1.00 0.76 H new ATOM 0 HD21 ASN B 27 -14.171 10.896 4.891 1.00 1.70 H new ATOM 0 HD22 ASN B 27 -12.944 9.783 4.277 1.00 1.70 H new ATOM 1454 N GLU B 28 -14.765 10.110 -0.744 1.00 0.70 N ATOM 1455 CA GLU B 28 -15.739 10.712 -1.689 1.00 0.83 C ATOM 1456 C GLU B 28 -16.683 9.642 -2.216 1.00 0.86 C ATOM 1457 O GLU B 28 -17.811 9.922 -2.569 1.00 0.97 O ATOM 1458 CB GLU B 28 -14.942 11.342 -2.825 1.00 1.00 C ATOM 1459 CG GLU B 28 -14.049 12.428 -2.221 1.00 1.12 C ATOM 1460 CD GLU B 28 -12.890 12.712 -3.165 1.00 1.86 C ATOM 1461 OE1 GLU B 28 -13.031 12.449 -4.346 1.00 2.24 O ATOM 1462 OE2 GLU B 28 -11.897 13.183 -2.646 1.00 2.61 O ATOM 0 H GLU B 28 -13.799 10.124 -1.071 1.00 0.70 H new ATOM 0 HA GLU B 28 -16.347 11.469 -1.193 1.00 0.83 H new ATOM 0 HB2 GLU B 28 -14.339 10.589 -3.332 1.00 1.00 H new ATOM 0 HB3 GLU B 28 -15.612 11.769 -3.571 1.00 1.00 H new ATOM 0 HG2 GLU B 28 -14.626 13.337 -2.053 1.00 1.12 H new ATOM 0 HG3 GLU B 28 -13.671 12.106 -1.251 1.00 1.12 H new ATOM 1469 N LEU B 29 -16.198 8.436 -2.253 1.00 0.84 N ATOM 1470 CA LEU B 29 -17.042 7.327 -2.767 1.00 0.98 C ATOM 1471 C LEU B 29 -17.801 6.748 -1.580 1.00 1.03 C ATOM 1472 O LEU B 29 -18.269 5.630 -1.647 1.00 1.19 O ATOM 1473 CB LEU B 29 -16.125 6.261 -3.409 1.00 1.02 C ATOM 1474 CG LEU B 29 -16.907 5.189 -4.226 1.00 1.07 C ATOM 1475 CD1 LEU B 29 -17.699 5.842 -5.378 1.00 1.79 C ATOM 1476 CD2 LEU B 29 -15.900 4.193 -4.825 1.00 1.43 C ATOM 0 H LEU B 29 -15.260 8.171 -1.952 1.00 0.84 H new ATOM 0 HA LEU B 29 -17.748 7.671 -3.523 1.00 0.98 H new ATOM 0 HB2 LEU B 29 -15.408 6.755 -4.064 1.00 1.02 H new ATOM 0 HB3 LEU B 29 -15.552 5.765 -2.626 1.00 1.02 H new ATOM 0 HG LEU B 29 -17.607 4.685 -3.560 1.00 1.07 H new ATOM 0 HD11 LEU B 29 -18.236 5.072 -5.933 1.00 1.79 H new ATOM 0 HD12 LEU B 29 -18.412 6.558 -4.969 1.00 1.79 H new ATOM 0 HD13 LEU B 29 -17.010 6.357 -6.047 1.00 1.79 H new ATOM 0 HD21 LEU B 29 -16.434 3.437 -5.400 1.00 1.43 H new ATOM 0 HD22 LEU B 29 -15.208 4.724 -5.479 1.00 1.43 H new ATOM 0 HD23 LEU B 29 -15.343 3.711 -4.021 1.00 1.43 H new ATOM 1488 N ASP B 30 -17.895 7.530 -0.538 1.00 0.98 N ATOM 1489 CA ASP B 30 -18.604 7.097 0.698 1.00 1.11 C ATOM 1490 C ASP B 30 -18.046 5.761 1.100 1.00 1.16 C ATOM 1491 O ASP B 30 -18.656 4.727 0.923 1.00 1.63 O ATOM 1492 CB ASP B 30 -20.113 6.914 0.493 1.00 1.35 C ATOM 1493 CG ASP B 30 -20.688 6.442 1.834 1.00 1.82 C ATOM 1494 OD1 ASP B 30 -20.226 6.951 2.842 1.00 2.23 O ATOM 1495 OD2 ASP B 30 -21.560 5.590 1.803 1.00 2.45 O ATOM 0 H ASP B 30 -17.501 8.470 -0.492 1.00 0.98 H new ATOM 0 HA ASP B 30 -18.457 7.872 1.450 1.00 1.11 H new ATOM 0 HB2 ASP B 30 -20.577 7.850 0.181 1.00 1.35 H new ATOM 0 HB3 ASP B 30 -20.311 6.183 -0.291 1.00 1.35 H new ATOM 1500 N ALA B 31 -16.866 5.832 1.628 1.00 0.84 N ATOM 1501 CA ALA B 31 -16.163 4.616 2.103 1.00 0.87 C ATOM 1502 C ALA B 31 -15.126 5.196 3.023 1.00 0.76 C ATOM 1503 O ALA B 31 -13.947 4.919 2.924 1.00 0.75 O ATOM 1504 CB ALA B 31 -15.497 3.899 0.940 1.00 0.89 C ATOM 0 H ALA B 31 -16.346 6.700 1.754 1.00 0.84 H new ATOM 0 HA ALA B 31 -16.816 3.883 2.576 1.00 0.87 H new ATOM 0 HB1 ALA B 31 -14.986 3.009 1.306 1.00 0.89 H new ATOM 0 HB2 ALA B 31 -16.253 3.609 0.210 1.00 0.89 H new ATOM 0 HB3 ALA B 31 -14.774 4.564 0.468 1.00 0.89 H new ATOM 1510 N ASP B 32 -15.631 6.008 3.904 1.00 0.85 N ATOM 1511 CA ASP B 32 -14.736 6.688 4.872 1.00 0.87 C ATOM 1512 C ASP B 32 -13.996 5.682 5.718 1.00 0.79 C ATOM 1513 O ASP B 32 -12.859 5.892 6.071 1.00 0.74 O ATOM 1514 CB ASP B 32 -15.529 7.577 5.804 1.00 1.11 C ATOM 1515 CG ASP B 32 -14.531 8.198 6.774 1.00 2.05 C ATOM 1516 OD1 ASP B 32 -13.609 8.820 6.271 1.00 2.83 O ATOM 1517 OD2 ASP B 32 -14.750 8.014 7.956 1.00 2.57 O ATOM 0 H ASP B 32 -16.622 6.229 3.995 1.00 0.85 H new ATOM 0 HA ASP B 32 -14.031 7.283 4.292 1.00 0.87 H new ATOM 0 HB2 ASP B 32 -16.057 8.350 5.245 1.00 1.11 H new ATOM 0 HB3 ASP B 32 -16.282 7.000 6.341 1.00 1.11 H new ATOM 1522 N GLU B 33 -14.644 4.601 6.031 1.00 0.86 N ATOM 1523 CA GLU B 33 -13.951 3.585 6.865 1.00 0.90 C ATOM 1524 C GLU B 33 -12.695 3.186 6.104 1.00 0.78 C ATOM 1525 O GLU B 33 -11.614 3.084 6.648 1.00 0.79 O ATOM 1526 CB GLU B 33 -14.807 2.323 7.062 1.00 1.07 C ATOM 1527 CG GLU B 33 -16.309 2.641 7.040 1.00 1.58 C ATOM 1528 CD GLU B 33 -16.771 2.756 5.590 1.00 1.74 C ATOM 1529 OE1 GLU B 33 -16.504 1.828 4.851 1.00 2.11 O ATOM 1530 OE2 GLU B 33 -17.369 3.769 5.288 1.00 2.15 O ATOM 0 H GLU B 33 -15.600 4.378 5.755 1.00 0.86 H new ATOM 0 HA GLU B 33 -13.743 4.006 7.849 1.00 0.90 H new ATOM 0 HB2 GLU B 33 -14.577 1.602 6.277 1.00 1.07 H new ATOM 0 HB3 GLU B 33 -14.549 1.854 8.011 1.00 1.07 H new ATOM 0 HG2 GLU B 33 -16.867 1.857 7.552 1.00 1.58 H new ATOM 0 HG3 GLU B 33 -16.505 3.572 7.573 1.00 1.58 H new ATOM 1537 N GLN B 34 -12.865 2.960 4.834 1.00 0.71 N ATOM 1538 CA GLN B 34 -11.660 2.581 4.065 1.00 0.67 C ATOM 1539 C GLN B 34 -10.708 3.760 4.065 1.00 0.57 C ATOM 1540 O GLN B 34 -9.512 3.566 4.054 1.00 0.53 O ATOM 1541 CB GLN B 34 -11.986 2.254 2.607 1.00 0.72 C ATOM 1542 CG GLN B 34 -12.546 0.840 2.431 1.00 0.88 C ATOM 1543 CD GLN B 34 -13.949 0.733 3.016 1.00 1.49 C ATOM 1544 OE1 GLN B 34 -14.924 0.884 2.310 1.00 2.26 O ATOM 1545 NE2 GLN B 34 -14.097 0.475 4.283 1.00 1.80 N ATOM 0 H GLN B 34 -13.743 3.018 4.318 1.00 0.71 H new ATOM 0 HA GLN B 34 -11.229 1.696 4.533 1.00 0.67 H new ATOM 0 HB2 GLN B 34 -12.709 2.977 2.230 1.00 0.72 H new ATOM 0 HB3 GLN B 34 -11.084 2.361 2.004 1.00 0.72 H new ATOM 0 HG2 GLN B 34 -12.569 0.583 1.372 1.00 0.88 H new ATOM 0 HG3 GLN B 34 -11.888 0.121 2.919 1.00 0.88 H new ATOM 0 HE21 GLN B 34 -13.277 0.348 4.877 1.00 1.80 H new ATOM 0 HE22 GLN B 34 -15.033 0.400 4.682 1.00 1.80 H new ATOM 1554 N ALA B 35 -11.240 4.949 4.076 1.00 0.58 N ATOM 1555 CA ALA B 35 -10.335 6.131 4.061 1.00 0.56 C ATOM 1556 C ALA B 35 -9.478 6.123 5.318 1.00 0.56 C ATOM 1557 O ALA B 35 -8.304 6.425 5.263 1.00 0.54 O ATOM 1558 CB ALA B 35 -11.153 7.430 4.018 1.00 0.65 C ATOM 0 H ALA B 35 -12.239 5.152 4.094 1.00 0.58 H new ATOM 0 HA ALA B 35 -9.702 6.080 3.175 1.00 0.56 H new ATOM 0 HB1 ALA B 35 -10.477 8.285 4.007 1.00 0.65 H new ATOM 0 HB2 ALA B 35 -11.769 7.443 3.119 1.00 0.65 H new ATOM 0 HB3 ALA B 35 -11.795 7.485 4.897 1.00 0.65 H new ATOM 1564 N ASP B 36 -10.088 5.777 6.414 1.00 0.62 N ATOM 1565 CA ASP B 36 -9.339 5.736 7.699 1.00 0.67 C ATOM 1566 C ASP B 36 -8.168 4.805 7.557 1.00 0.60 C ATOM 1567 O ASP B 36 -7.022 5.164 7.739 1.00 0.62 O ATOM 1568 CB ASP B 36 -10.210 5.205 8.825 1.00 0.79 C ATOM 1569 CG ASP B 36 -9.283 4.765 9.957 1.00 1.21 C ATOM 1570 OD1 ASP B 36 -8.764 5.651 10.613 1.00 1.65 O ATOM 1571 OD2 ASP B 36 -9.149 3.560 10.099 1.00 1.67 O ATOM 0 H ASP B 36 -11.073 5.521 6.477 1.00 0.62 H new ATOM 0 HA ASP B 36 -9.018 6.751 7.933 1.00 0.67 H new ATOM 0 HB2 ASP B 36 -10.899 5.975 9.172 1.00 0.79 H new ATOM 0 HB3 ASP B 36 -10.816 4.368 8.478 1.00 0.79 H new ATOM 1576 N ILE B 37 -8.509 3.602 7.218 1.00 0.55 N ATOM 1577 CA ILE B 37 -7.445 2.590 7.061 1.00 0.52 C ATOM 1578 C ILE B 37 -6.476 3.043 5.975 1.00 0.47 C ATOM 1579 O ILE B 37 -5.303 2.729 6.014 1.00 0.50 O ATOM 1580 CB ILE B 37 -8.106 1.266 6.694 1.00 0.53 C ATOM 1581 CG1 ILE B 37 -9.109 0.926 7.822 1.00 0.68 C ATOM 1582 CG2 ILE B 37 -7.021 0.187 6.614 1.00 0.57 C ATOM 1583 CD1 ILE B 37 -9.847 -0.374 7.501 1.00 1.12 C ATOM 0 H ILE B 37 -9.461 3.280 7.046 1.00 0.55 H new ATOM 0 HA ILE B 37 -6.880 2.466 7.985 1.00 0.52 H new ATOM 0 HB ILE B 37 -8.621 1.324 5.735 1.00 0.53 H new ATOM 0 HG12 ILE B 37 -8.581 0.828 8.770 1.00 0.68 H new ATOM 0 HG13 ILE B 37 -9.825 1.739 7.939 1.00 0.68 H new ATOM 0 HG21 ILE B 37 -7.476 -0.768 6.352 1.00 0.57 H new ATOM 0 HG22 ILE B 37 -6.290 0.461 5.853 1.00 0.57 H new ATOM 0 HG23 ILE B 37 -6.523 0.099 7.580 1.00 0.57 H new ATOM 0 HD11 ILE B 37 -10.549 -0.601 8.303 1.00 1.12 H new ATOM 0 HD12 ILE B 37 -10.391 -0.262 6.563 1.00 1.12 H new ATOM 0 HD13 ILE B 37 -9.127 -1.187 7.408 1.00 1.12 H new ATOM 1595 N CYS B 38 -6.974 3.772 5.021 1.00 0.45 N ATOM 1596 CA CYS B 38 -6.054 4.226 3.949 1.00 0.47 C ATOM 1597 C CYS B 38 -5.075 5.202 4.551 1.00 0.50 C ATOM 1598 O CYS B 38 -3.969 5.316 4.072 1.00 0.57 O ATOM 1599 CB CYS B 38 -6.783 4.963 2.813 1.00 0.48 C ATOM 1600 SG CYS B 38 -7.929 4.049 1.753 1.00 0.70 S ATOM 0 H CYS B 38 -7.947 4.066 4.936 1.00 0.45 H new ATOM 0 HA CYS B 38 -5.573 3.339 3.535 1.00 0.47 H new ATOM 0 HB2 CYS B 38 -7.338 5.787 3.261 1.00 0.48 H new ATOM 0 HB3 CYS B 38 -6.023 5.404 2.169 1.00 0.48 H new ATOM 0 HG CYS B 38 -8.904 3.579 2.472 1.00 0.70 H new ATOM 1606 N GLU B 39 -5.473 5.893 5.577 1.00 0.54 N ATOM 1607 CA GLU B 39 -4.524 6.864 6.169 1.00 0.62 C ATOM 1608 C GLU B 39 -3.442 6.081 6.895 1.00 0.58 C ATOM 1609 O GLU B 39 -2.272 6.405 6.838 1.00 0.57 O ATOM 1610 CB GLU B 39 -5.266 7.774 7.158 1.00 0.75 C ATOM 1611 CG GLU B 39 -4.433 9.029 7.392 1.00 1.35 C ATOM 1612 CD GLU B 39 -5.242 9.967 8.277 1.00 2.07 C ATOM 1613 OE1 GLU B 39 -6.215 10.484 7.754 1.00 2.39 O ATOM 1614 OE2 GLU B 39 -4.839 10.109 9.418 1.00 2.82 O ATOM 0 H GLU B 39 -6.389 5.831 6.021 1.00 0.54 H new ATOM 0 HA GLU B 39 -4.080 7.486 5.392 1.00 0.62 H new ATOM 0 HB2 GLU B 39 -6.246 8.040 6.763 1.00 0.75 H new ATOM 0 HB3 GLU B 39 -5.433 7.251 8.100 1.00 0.75 H new ATOM 0 HG2 GLU B 39 -3.486 8.776 7.869 1.00 1.35 H new ATOM 0 HG3 GLU B 39 -4.193 9.510 6.444 1.00 1.35 H new ATOM 1621 N SER B 40 -3.829 5.050 7.575 1.00 0.63 N ATOM 1622 CA SER B 40 -2.773 4.300 8.295 1.00 0.64 C ATOM 1623 C SER B 40 -1.888 3.596 7.277 1.00 0.58 C ATOM 1624 O SER B 40 -0.690 3.474 7.436 1.00 0.63 O ATOM 1625 CB SER B 40 -3.448 3.293 9.203 1.00 0.72 C ATOM 1626 OG SER B 40 -4.798 3.733 9.190 1.00 0.77 O ATOM 0 H SER B 40 -4.784 4.703 7.665 1.00 0.63 H new ATOM 0 HA SER B 40 -2.153 4.968 8.892 1.00 0.64 H new ATOM 0 HB2 SER B 40 -3.348 2.275 8.827 1.00 0.72 H new ATOM 0 HB3 SER B 40 -3.026 3.304 10.208 1.00 0.72 H new ATOM 0 HG SER B 40 -5.340 3.143 9.754 1.00 0.77 H new ATOM 1632 N LEU B 41 -2.528 3.152 6.241 1.00 0.54 N ATOM 1633 CA LEU B 41 -1.796 2.424 5.178 1.00 0.53 C ATOM 1634 C LEU B 41 -0.911 3.415 4.456 1.00 0.50 C ATOM 1635 O LEU B 41 0.164 3.098 3.998 1.00 0.55 O ATOM 1636 CB LEU B 41 -2.817 1.829 4.234 1.00 0.56 C ATOM 1637 CG LEU B 41 -2.159 0.918 3.170 1.00 0.63 C ATOM 1638 CD1 LEU B 41 -1.447 -0.264 3.844 1.00 1.05 C ATOM 1639 CD2 LEU B 41 -3.256 0.368 2.247 1.00 1.22 C ATOM 0 H LEU B 41 -3.530 3.262 6.083 1.00 0.54 H new ATOM 0 HA LEU B 41 -1.177 1.625 5.586 1.00 0.53 H new ATOM 0 HB2 LEU B 41 -3.546 1.253 4.804 1.00 0.56 H new ATOM 0 HB3 LEU B 41 -3.363 2.631 3.737 1.00 0.56 H new ATOM 0 HG LEU B 41 -1.431 1.499 2.604 1.00 0.63 H new ATOM 0 HD11 LEU B 41 -0.989 -0.895 3.082 1.00 1.05 H new ATOM 0 HD12 LEU B 41 -0.675 0.111 4.516 1.00 1.05 H new ATOM 0 HD13 LEU B 41 -2.170 -0.848 4.413 1.00 1.05 H new ATOM 0 HD21 LEU B 41 -2.807 -0.276 1.491 1.00 1.22 H new ATOM 0 HD22 LEU B 41 -3.972 -0.207 2.835 1.00 1.22 H new ATOM 0 HD23 LEU B 41 -3.770 1.196 1.759 1.00 1.22 H new ATOM 1651 N HIS B 42 -1.427 4.601 4.387 1.00 0.50 N ATOM 1652 CA HIS B 42 -0.703 5.711 3.707 1.00 0.53 C ATOM 1653 C HIS B 42 0.684 5.830 4.284 1.00 0.55 C ATOM 1654 O HIS B 42 1.664 5.707 3.579 1.00 0.63 O ATOM 1655 CB HIS B 42 -1.449 7.032 3.923 1.00 0.54 C ATOM 1656 CG HIS B 42 -0.741 8.210 3.257 1.00 0.60 C ATOM 1657 ND1 HIS B 42 -0.438 8.329 2.006 1.00 0.61 N ATOM 1658 CD2 HIS B 42 -0.288 9.383 3.836 1.00 1.21 C ATOM 1659 CE1 HIS B 42 0.149 9.468 1.815 1.00 0.64 C ATOM 1660 NE2 HIS B 42 0.265 10.155 2.922 1.00 1.13 N ATOM 0 H HIS B 42 -2.334 4.858 4.777 1.00 0.50 H new ATOM 0 HA HIS B 42 -0.646 5.498 2.640 1.00 0.53 H new ATOM 0 HB2 HIS B 42 -2.460 6.946 3.525 1.00 0.54 H new ATOM 0 HB3 HIS B 42 -1.543 7.224 4.992 1.00 0.54 H new ATOM 0 HD1 HIS B 42 -0.631 7.636 1.283 1.00 0.61 H new ATOM 0 HD2 HIS B 42 -0.375 9.630 4.884 1.00 1.21 H new ATOM 0 HE1 HIS B 42 0.502 9.811 0.853 1.00 0.64 H new ATOM 1668 N ASP B 43 0.756 6.060 5.562 1.00 0.56 N ATOM 1669 CA ASP B 43 2.126 6.210 6.125 1.00 0.64 C ATOM 1670 C ASP B 43 2.786 4.875 6.376 1.00 0.60 C ATOM 1671 O ASP B 43 3.994 4.784 6.421 1.00 0.62 O ATOM 1672 CB ASP B 43 2.093 6.962 7.441 1.00 0.80 C ATOM 1673 CG ASP B 43 3.546 7.273 7.784 1.00 1.22 C ATOM 1674 OD1 ASP B 43 4.102 8.079 7.057 1.00 1.51 O ATOM 1675 OD2 ASP B 43 4.027 6.696 8.740 1.00 1.86 O ATOM 0 H ASP B 43 -0.025 6.147 6.212 1.00 0.56 H new ATOM 0 HA ASP B 43 2.699 6.764 5.381 1.00 0.64 H new ATOM 0 HB2 ASP B 43 1.508 7.878 7.353 1.00 0.80 H new ATOM 0 HB3 ASP B 43 1.628 6.361 8.222 1.00 0.80 H new ATOM 1680 N HIS B 44 2.010 3.846 6.539 1.00 0.60 N ATOM 1681 CA HIS B 44 2.686 2.545 6.778 1.00 0.63 C ATOM 1682 C HIS B 44 3.413 2.213 5.489 1.00 0.60 C ATOM 1683 O HIS B 44 4.446 1.580 5.479 1.00 0.68 O ATOM 1684 CB HIS B 44 1.678 1.438 7.072 1.00 0.65 C ATOM 1685 CG HIS B 44 2.455 0.159 7.410 1.00 1.02 C ATOM 1686 ND1 HIS B 44 3.729 0.083 7.630 1.00 1.67 N ATOM 1687 CD2 HIS B 44 2.012 -1.146 7.553 1.00 1.54 C ATOM 1688 CE1 HIS B 44 4.056 -1.143 7.886 1.00 2.24 C ATOM 1689 NE2 HIS B 44 3.020 -1.942 7.849 1.00 2.16 N ATOM 0 H HIS B 44 0.990 3.841 6.520 1.00 0.60 H new ATOM 0 HA HIS B 44 3.354 2.617 7.636 1.00 0.63 H new ATOM 0 HB2 HIS B 44 1.033 1.722 7.904 1.00 0.65 H new ATOM 0 HB3 HIS B 44 1.032 1.273 6.210 1.00 0.65 H new ATOM 0 HD1 HIS B 44 4.377 0.870 7.605 1.00 1.67 H new ATOM 0 HD2 HIS B 44 0.987 -1.465 7.438 1.00 1.54 H new ATOM 0 HE1 HIS B 44 5.063 -1.468 8.104 1.00 2.24 H new ATOM 1697 N ALA B 45 2.848 2.656 4.407 1.00 0.57 N ATOM 1698 CA ALA B 45 3.501 2.370 3.110 1.00 0.62 C ATOM 1699 C ALA B 45 4.770 3.174 3.129 1.00 0.59 C ATOM 1700 O ALA B 45 5.809 2.759 2.655 1.00 0.61 O ATOM 1701 CB ALA B 45 2.639 2.840 1.953 1.00 0.70 C ATOM 0 H ALA B 45 1.981 3.192 4.364 1.00 0.57 H new ATOM 0 HA ALA B 45 3.670 1.301 2.980 1.00 0.62 H new ATOM 0 HB1 ALA B 45 3.141 2.618 1.011 1.00 0.70 H new ATOM 0 HB2 ALA B 45 1.679 2.325 1.982 1.00 0.70 H new ATOM 0 HB3 ALA B 45 2.477 3.915 2.033 1.00 0.70 H new ATOM 1707 N ASP B 46 4.632 4.333 3.697 1.00 0.60 N ATOM 1708 CA ASP B 46 5.816 5.214 3.765 1.00 0.65 C ATOM 1709 C ASP B 46 6.850 4.567 4.652 1.00 0.65 C ATOM 1710 O ASP B 46 8.012 4.872 4.528 1.00 0.65 O ATOM 1711 CB ASP B 46 5.454 6.554 4.352 1.00 0.76 C ATOM 1712 CG ASP B 46 6.661 7.477 4.199 1.00 0.88 C ATOM 1713 OD1 ASP B 46 7.013 7.704 3.059 1.00 1.04 O ATOM 1714 OD2 ASP B 46 7.167 7.918 5.214 1.00 1.45 O ATOM 0 H ASP B 46 3.773 4.700 4.107 1.00 0.60 H new ATOM 0 HA ASP B 46 6.202 5.361 2.756 1.00 0.65 H new ATOM 0 HB2 ASP B 46 4.587 6.972 3.841 1.00 0.76 H new ATOM 0 HB3 ASP B 46 5.185 6.450 5.403 1.00 0.76 H new ATOM 1719 N GLU B 47 6.451 3.694 5.535 1.00 0.71 N ATOM 1720 CA GLU B 47 7.494 3.053 6.384 1.00 0.81 C ATOM 1721 C GLU B 47 8.483 2.358 5.477 1.00 0.75 C ATOM 1722 O GLU B 47 9.660 2.291 5.760 1.00 0.81 O ATOM 1723 CB GLU B 47 6.901 1.986 7.320 1.00 0.97 C ATOM 1724 CG GLU B 47 6.106 2.619 8.460 1.00 1.17 C ATOM 1725 CD GLU B 47 7.085 3.061 9.553 1.00 1.52 C ATOM 1726 OE1 GLU B 47 8.263 3.161 9.255 1.00 2.02 O ATOM 1727 OE2 GLU B 47 6.596 3.281 10.646 1.00 1.97 O ATOM 0 H GLU B 47 5.487 3.405 5.703 1.00 0.71 H new ATOM 0 HA GLU B 47 7.958 3.832 6.989 1.00 0.81 H new ATOM 0 HB2 GLU B 47 6.253 1.320 6.750 1.00 0.97 H new ATOM 0 HB3 GLU B 47 7.704 1.375 7.731 1.00 0.97 H new ATOM 0 HG2 GLU B 47 5.536 3.473 8.095 1.00 1.17 H new ATOM 0 HG3 GLU B 47 5.387 1.905 8.862 1.00 1.17 H new ATOM 1734 N LEU B 48 7.990 1.844 4.392 1.00 0.72 N ATOM 1735 CA LEU B 48 8.933 1.154 3.486 1.00 0.77 C ATOM 1736 C LEU B 48 9.816 2.208 2.869 1.00 0.68 C ATOM 1737 O LEU B 48 10.981 1.972 2.650 1.00 0.93 O ATOM 1738 CB LEU B 48 8.196 0.416 2.359 1.00 0.85 C ATOM 1739 CG LEU B 48 7.470 -0.864 2.850 1.00 0.87 C ATOM 1740 CD1 LEU B 48 8.499 -1.871 3.399 1.00 1.52 C ATOM 1741 CD2 LEU B 48 6.443 -0.539 3.946 1.00 1.40 C ATOM 0 H LEU B 48 7.013 1.869 4.101 1.00 0.72 H new ATOM 0 HA LEU B 48 9.503 0.419 4.055 1.00 0.77 H new ATOM 0 HB2 LEU B 48 7.468 1.089 1.906 1.00 0.85 H new ATOM 0 HB3 LEU B 48 8.910 0.147 1.580 1.00 0.85 H new ATOM 0 HG LEU B 48 6.942 -1.296 2.000 1.00 0.87 H new ATOM 0 HD11 LEU B 48 7.983 -2.768 3.742 1.00 1.52 H new ATOM 0 HD12 LEU B 48 9.204 -2.137 2.611 1.00 1.52 H new ATOM 0 HD13 LEU B 48 9.039 -1.422 4.232 1.00 1.52 H new ATOM 0 HD21 LEU B 48 5.952 -1.457 4.268 1.00 1.40 H new ATOM 0 HD22 LEU B 48 6.950 -0.081 4.795 1.00 1.40 H new ATOM 0 HD23 LEU B 48 5.698 0.152 3.553 1.00 1.40 H new ATOM 1753 N TYR B 49 9.252 3.347 2.599 1.00 0.59 N ATOM 1754 CA TYR B 49 10.080 4.415 1.980 1.00 0.54 C ATOM 1755 C TYR B 49 11.179 4.751 2.982 1.00 0.59 C ATOM 1756 O TYR B 49 12.343 4.756 2.641 1.00 0.82 O ATOM 1757 CB TYR B 49 9.180 5.630 1.705 1.00 0.61 C ATOM 1758 CG TYR B 49 9.861 6.764 0.916 1.00 0.64 C ATOM 1759 CD1 TYR B 49 11.185 6.748 0.509 1.00 1.33 C ATOM 1760 CD2 TYR B 49 9.096 7.869 0.608 1.00 1.29 C ATOM 1761 CE1 TYR B 49 11.718 7.815 -0.184 1.00 1.40 C ATOM 1762 CE2 TYR B 49 9.626 8.930 -0.081 1.00 1.32 C ATOM 1763 CZ TYR B 49 10.943 8.912 -0.483 1.00 0.85 C ATOM 1764 OH TYR B 49 11.461 9.985 -1.175 1.00 0.99 O ATOM 0 H TYR B 49 8.275 3.584 2.775 1.00 0.59 H new ATOM 0 HA TYR B 49 10.526 4.106 1.035 1.00 0.54 H new ATOM 0 HB2 TYR B 49 8.301 5.297 1.153 1.00 0.61 H new ATOM 0 HB3 TYR B 49 8.827 6.028 2.657 1.00 0.61 H new ATOM 0 HD1 TYR B 49 11.805 5.893 0.736 1.00 1.33 H new ATOM 0 HD2 TYR B 49 8.061 7.900 0.915 1.00 1.29 H new ATOM 0 HE1 TYR B 49 12.752 7.789 -0.494 1.00 1.40 H new ATOM 0 HE2 TYR B 49 9.007 9.785 -0.310 1.00 1.32 H new ATOM 0 HH TYR B 49 12.416 9.838 -1.339 1.00 0.99 H new ATOM 1774 N ARG B 50 10.789 5.018 4.193 1.00 0.71 N ATOM 1775 CA ARG B 50 11.782 5.364 5.240 1.00 0.95 C ATOM 1776 C ARG B 50 12.860 4.287 5.331 1.00 1.15 C ATOM 1777 O ARG B 50 14.034 4.558 5.179 1.00 1.19 O ATOM 1778 CB ARG B 50 11.040 5.509 6.587 1.00 1.20 C ATOM 1779 CG ARG B 50 10.047 6.682 6.455 1.00 1.44 C ATOM 1780 CD ARG B 50 9.332 6.957 7.799 1.00 1.54 C ATOM 1781 NE ARG B 50 8.531 5.776 8.229 1.00 1.70 N ATOM 1782 CZ ARG B 50 7.229 5.933 8.348 1.00 1.79 C ATOM 1783 NH1 ARG B 50 6.552 6.230 7.270 1.00 2.29 N ATOM 1784 NH2 ARG B 50 6.658 5.790 9.522 1.00 2.21 N ATOM 0 H ARG B 50 9.818 5.011 4.504 1.00 0.71 H new ATOM 0 HA ARG B 50 12.275 6.303 4.989 1.00 0.95 H new ATOM 0 HB2 ARG B 50 10.512 4.588 6.833 1.00 1.20 H new ATOM 0 HB3 ARG B 50 11.748 5.697 7.395 1.00 1.20 H new ATOM 0 HG2 ARG B 50 10.577 7.578 6.131 1.00 1.44 H new ATOM 0 HG3 ARG B 50 9.309 6.453 5.686 1.00 1.44 H new ATOM 0 HD2 ARG B 50 10.069 7.199 8.564 1.00 1.54 H new ATOM 0 HD3 ARG B 50 8.681 7.825 7.698 1.00 1.54 H new ATOM 0 HE ARG B 50 8.975 4.879 8.424 1.00 1.70 H new ATOM 0 HH11 ARG B 50 7.034 6.332 6.377 1.00 2.29 H new ATOM 0 HH12 ARG B 50 5.542 6.359 7.322 1.00 2.29 H new ATOM 0 HH21 ARG B 50 7.223 5.558 10.339 1.00 2.21 H new ATOM 0 HH22 ARG B 50 5.650 5.911 9.617 1.00 2.21 H new ATOM 1798 N SER B 51 12.439 3.083 5.572 1.00 1.40 N ATOM 1799 CA SER B 51 13.419 1.978 5.684 1.00 1.77 C ATOM 1800 C SER B 51 14.232 1.830 4.392 1.00 1.70 C ATOM 1801 O SER B 51 15.383 1.451 4.410 1.00 1.91 O ATOM 1802 CB SER B 51 12.623 0.727 5.994 1.00 2.04 C ATOM 1803 OG SER B 51 11.822 1.155 7.087 1.00 2.11 O ATOM 0 H SER B 51 11.462 2.817 5.696 1.00 1.40 H new ATOM 0 HA SER B 51 14.145 2.173 6.473 1.00 1.77 H new ATOM 0 HB2 SER B 51 12.019 0.406 5.145 1.00 2.04 H new ATOM 0 HB3 SER B 51 13.266 -0.111 6.262 1.00 2.04 H new ATOM 0 HG SER B 51 10.943 1.438 6.758 1.00 2.11 H new ATOM 1809 N CYS B 52 13.629 2.135 3.282 1.00 1.50 N ATOM 1810 CA CYS B 52 14.393 1.988 2.019 1.00 1.60 C ATOM 1811 C CYS B 52 15.380 3.128 1.932 1.00 1.30 C ATOM 1812 O CYS B 52 16.434 3.009 1.344 1.00 1.42 O ATOM 1813 CB CYS B 52 13.447 2.040 0.817 1.00 1.71 C ATOM 1814 SG CYS B 52 12.310 0.652 0.578 1.00 2.41 S ATOM 0 H CYS B 52 12.670 2.470 3.193 1.00 1.50 H new ATOM 0 HA CYS B 52 14.911 1.029 2.010 1.00 1.60 H new ATOM 0 HB2 CYS B 52 12.852 2.950 0.898 1.00 1.71 H new ATOM 0 HB3 CYS B 52 14.054 2.135 -0.083 1.00 1.71 H new ATOM 0 HG CYS B 52 12.979 -0.463 0.582 1.00 2.41 H new ATOM 1820 N LEU B 53 15.025 4.224 2.528 1.00 1.00 N ATOM 1821 CA LEU B 53 15.946 5.376 2.467 1.00 0.95 C ATOM 1822 C LEU B 53 17.061 5.051 3.441 1.00 1.09 C ATOM 1823 O LEU B 53 18.153 5.564 3.334 1.00 1.19 O ATOM 1824 CB LEU B 53 15.204 6.650 2.896 1.00 0.98 C ATOM 1825 CG LEU B 53 16.091 7.903 2.704 1.00 1.21 C ATOM 1826 CD1 LEU B 53 16.399 8.131 1.206 1.00 1.56 C ATOM 1827 CD2 LEU B 53 15.336 9.128 3.250 1.00 1.58 C ATOM 0 H LEU B 53 14.157 4.369 3.043 1.00 1.00 H new ATOM 0 HA LEU B 53 16.333 5.548 1.463 1.00 0.95 H new ATOM 0 HB2 LEU B 53 14.289 6.755 2.313 1.00 0.98 H new ATOM 0 HB3 LEU B 53 14.908 6.567 3.942 1.00 0.98 H new ATOM 0 HG LEU B 53 17.031 7.758 3.237 1.00 1.21 H new ATOM 0 HD11 LEU B 53 17.024 9.017 1.094 1.00 1.56 H new ATOM 0 HD12 LEU B 53 16.924 7.264 0.806 1.00 1.56 H new ATOM 0 HD13 LEU B 53 15.466 8.273 0.660 1.00 1.56 H new ATOM 0 HD21 LEU B 53 15.949 10.020 3.122 1.00 1.58 H new ATOM 0 HD22 LEU B 53 14.399 9.250 2.706 1.00 1.58 H new ATOM 0 HD23 LEU B 53 15.124 8.983 4.309 1.00 1.58 H new ATOM 1839 N ALA B 54 16.767 4.201 4.382 1.00 1.32 N ATOM 1840 CA ALA B 54 17.829 3.861 5.361 1.00 1.66 C ATOM 1841 C ALA B 54 18.788 2.861 4.748 1.00 1.77 C ATOM 1842 O ALA B 54 19.957 3.131 4.572 1.00 2.00 O ATOM 1843 CB ALA B 54 17.212 3.244 6.620 1.00 1.85 C ATOM 0 H ALA B 54 15.867 3.740 4.514 1.00 1.32 H new ATOM 0 HA ALA B 54 18.361 4.775 5.627 1.00 1.66 H new ATOM 0 HB1 ALA B 54 18.002 2.999 7.330 1.00 1.85 H new ATOM 0 HB2 ALA B 54 16.524 3.957 7.075 1.00 1.85 H new ATOM 0 HB3 ALA B 54 16.671 2.337 6.353 1.00 1.85 H new ATOM 1849 N ARG B 55 18.252 1.717 4.438 1.00 1.75 N ATOM 1850 CA ARG B 55 19.084 0.635 3.851 1.00 1.93 C ATOM 1851 C ARG B 55 19.748 1.085 2.558 1.00 1.58 C ATOM 1852 O ARG B 55 20.905 0.792 2.335 1.00 1.71 O ATOM 1853 CB ARG B 55 18.208 -0.582 3.539 1.00 2.36 C ATOM 1854 CG ARG B 55 19.060 -1.821 3.201 1.00 2.73 C ATOM 1855 CD ARG B 55 19.650 -2.407 4.499 1.00 3.04 C ATOM 1856 NE ARG B 55 18.529 -2.889 5.356 1.00 2.92 N ATOM 1857 CZ ARG B 55 18.473 -4.167 5.668 1.00 3.13 C ATOM 1858 NH1 ARG B 55 18.776 -5.042 4.732 1.00 3.41 N ATOM 1859 NH2 ARG B 55 18.121 -4.512 6.889 1.00 3.65 N ATOM 0 H ARG B 55 17.267 1.484 4.567 1.00 1.75 H new ATOM 0 HA ARG B 55 19.854 0.381 4.580 1.00 1.93 H new ATOM 0 HB2 ARG B 55 17.570 -0.801 4.395 1.00 2.36 H new ATOM 0 HB3 ARG B 55 17.550 -0.352 2.701 1.00 2.36 H new ATOM 0 HG2 ARG B 55 18.449 -2.569 2.696 1.00 2.73 H new ATOM 0 HG3 ARG B 55 19.862 -1.548 2.515 1.00 2.73 H new ATOM 0 HD2 ARG B 55 20.330 -3.227 4.269 1.00 3.04 H new ATOM 0 HD3 ARG B 55 20.231 -1.650 5.026 1.00 3.04 H new ATOM 0 HE ARG B 55 17.818 -2.240 5.694 1.00 2.92 H new ATOM 0 HH11 ARG B 55 19.043 -4.721 3.801 1.00 3.41 H new ATOM 0 HH12 ARG B 55 18.744 -6.041 4.938 1.00 3.41 H new ATOM 0 HH21 ARG B 55 17.897 -3.793 7.577 1.00 3.65 H new ATOM 0 HH22 ARG B 55 18.073 -5.498 7.147 1.00 3.65 H new ATOM 1873 N PHE B 56 19.010 1.777 1.738 1.00 1.42 N ATOM 1874 CA PHE B 56 19.599 2.202 0.439 1.00 1.63 C ATOM 1875 C PHE B 56 20.118 3.622 0.460 1.00 2.45 C ATOM 1876 O PHE B 56 21.228 3.886 0.045 1.00 3.11 O ATOM 1877 CB PHE B 56 18.557 2.114 -0.661 1.00 1.48 C ATOM 1878 CG PHE B 56 17.838 0.761 -0.605 1.00 1.19 C ATOM 1879 CD1 PHE B 56 18.523 -0.422 -0.389 1.00 1.30 C ATOM 1880 CD2 PHE B 56 16.469 0.724 -0.770 1.00 1.63 C ATOM 1881 CE1 PHE B 56 17.842 -1.620 -0.337 1.00 1.24 C ATOM 1882 CE2 PHE B 56 15.788 -0.474 -0.718 1.00 1.51 C ATOM 1883 CZ PHE B 56 16.474 -1.647 -0.501 1.00 0.99 C ATOM 0 H PHE B 56 18.045 2.062 1.905 1.00 1.42 H new ATOM 0 HA PHE B 56 20.436 1.528 0.256 1.00 1.63 H new ATOM 0 HB2 PHE B 56 17.834 2.923 -0.552 1.00 1.48 H new ATOM 0 HB3 PHE B 56 19.033 2.241 -1.633 1.00 1.48 H new ATOM 0 HD1 PHE B 56 19.595 -0.407 -0.261 1.00 1.30 H new ATOM 0 HD2 PHE B 56 15.926 1.641 -0.941 1.00 1.63 H new ATOM 0 HE1 PHE B 56 18.382 -2.540 -0.167 1.00 1.24 H new ATOM 0 HE2 PHE B 56 14.716 -0.492 -0.848 1.00 1.51 H new ATOM 0 HZ PHE B 56 15.942 -2.586 -0.459 1.00 0.99 H new ATOM 1893 N GLY B 57 19.311 4.522 0.941 1.00 2.70 N ATOM 1894 CA GLY B 57 19.785 5.927 0.940 1.00 3.77 C ATOM 1895 C GLY B 57 19.847 6.309 -0.530 1.00 4.43 C ATOM 1896 O GLY B 57 20.612 7.161 -0.936 1.00 4.85 O ATOM 0 H GLY B 57 18.379 4.356 1.321 1.00 2.70 H new ATOM 0 HA2 GLY B 57 19.103 6.576 1.490 1.00 3.77 H new ATOM 0 HA3 GLY B 57 20.762 6.016 1.414 1.00 3.77 H new ATOM 1900 N ASP B 58 19.017 5.648 -1.290 1.00 4.82 N ATOM 1901 CA ASP B 58 18.983 5.905 -2.754 1.00 5.78 C ATOM 1902 C ASP B 58 17.726 6.687 -3.033 1.00 6.31 C ATOM 1903 O ASP B 58 16.669 6.243 -2.642 1.00 6.58 O ATOM 1904 CB ASP B 58 18.898 4.606 -3.535 1.00 6.24 C ATOM 1905 CG ASP B 58 19.012 4.914 -5.025 1.00 6.76 C ATOM 1906 OD1 ASP B 58 19.570 5.947 -5.339 1.00 6.88 O ATOM 1907 OD2 ASP B 58 18.543 4.099 -5.793 1.00 7.19 O ATOM 0 H ASP B 58 18.361 4.941 -0.958 1.00 4.82 H new ATOM 0 HA ASP B 58 19.887 6.436 -3.051 1.00 5.78 H new ATOM 0 HB2 ASP B 58 19.696 3.929 -3.228 1.00 6.24 H new ATOM 0 HB3 ASP B 58 17.954 4.102 -3.326 1.00 6.24 H new ATOM 1912 N ASP B 59 17.849 7.805 -3.687 1.00 6.74 N ATOM 1913 CA ASP B 59 16.645 8.629 -4.009 1.00 7.58 C ATOM 1914 C ASP B 59 17.093 9.275 -5.296 1.00 8.01 C ATOM 1915 O ASP B 59 18.169 8.949 -5.755 1.00 8.18 O ATOM 1916 CB ASP B 59 16.395 9.710 -2.952 1.00 8.09 C ATOM 1917 CG ASP B 59 14.910 10.098 -2.956 1.00 8.40 C ATOM 1918 OD1 ASP B 59 14.505 10.843 -3.831 1.00 8.62 O ATOM 1919 OD2 ASP B 59 14.233 9.619 -2.063 1.00 8.56 O ATOM 0 H ASP B 59 18.735 8.189 -4.016 1.00 6.74 H new ATOM 0 HA ASP B 59 15.719 8.056 -4.060 1.00 7.58 H new ATOM 0 HB2 ASP B 59 16.683 9.343 -1.967 1.00 8.09 H new ATOM 0 HB3 ASP B 59 17.011 10.585 -3.159 1.00 8.09 H new ATOM 1924 N GLY B 60 16.313 10.145 -5.861 1.00 8.32 N ATOM 1925 CA GLY B 60 16.733 10.798 -7.124 1.00 8.93 C ATOM 1926 C GLY B 60 15.662 10.442 -8.131 1.00 9.28 C ATOM 1927 O GLY B 60 15.870 9.642 -9.023 1.00 9.74 O ATOM 0 H GLY B 60 15.402 10.433 -5.503 1.00 8.32 H new ATOM 0 HA2 GLY B 60 16.814 11.878 -7.001 1.00 8.93 H new ATOM 0 HA3 GLY B 60 17.711 10.440 -7.446 1.00 8.93 H new ATOM 1931 N GLU B 61 14.529 11.050 -7.949 1.00 9.25 N ATOM 1932 CA GLU B 61 13.410 10.768 -8.871 1.00 9.85 C ATOM 1933 C GLU B 61 13.585 11.653 -10.091 1.00 10.44 C ATOM 1934 O GLU B 61 13.085 12.759 -10.144 1.00 10.96 O ATOM 1935 CB GLU B 61 12.102 11.081 -8.153 1.00 9.95 C ATOM 1936 CG GLU B 61 12.209 10.554 -6.718 1.00 9.52 C ATOM 1937 CD GLU B 61 12.675 9.107 -6.777 1.00 9.36 C ATOM 1938 OE1 GLU B 61 12.057 8.376 -7.526 1.00 9.60 O ATOM 1939 OE2 GLU B 61 13.618 8.801 -6.071 1.00 9.14 O ATOM 0 H GLU B 61 14.333 11.723 -7.208 1.00 9.25 H new ATOM 0 HA GLU B 61 13.394 9.723 -9.181 1.00 9.85 H new ATOM 0 HB2 GLU B 61 11.916 12.155 -8.151 1.00 9.95 H new ATOM 0 HB3 GLU B 61 11.263 10.613 -8.669 1.00 9.95 H new ATOM 0 HG2 GLU B 61 12.912 11.157 -6.143 1.00 9.52 H new ATOM 0 HG3 GLU B 61 11.245 10.623 -6.215 1.00 9.52 H new ATOM 1946 N ASN B 62 14.298 11.150 -11.052 1.00 10.52 N ATOM 1947 CA ASN B 62 14.514 11.944 -12.285 1.00 11.24 C ATOM 1948 C ASN B 62 14.791 10.940 -13.366 1.00 11.48 C ATOM 1949 O ASN B 62 14.917 9.764 -13.084 1.00 11.62 O ATOM 1950 CB ASN B 62 15.727 12.847 -12.171 1.00 11.72 C ATOM 1951 CG ASN B 62 16.968 11.959 -12.023 1.00 12.30 C ATOM 1952 OD1 ASN B 62 17.403 11.686 -10.920 1.00 12.60 O ATOM 1953 ND2 ASN B 62 17.564 11.490 -13.087 1.00 12.60 N ATOM 0 H ASN B 62 14.738 10.230 -11.038 1.00 10.52 H new ATOM 0 HA ASN B 62 13.646 12.574 -12.478 1.00 11.24 H new ATOM 0 HB2 ASN B 62 15.815 13.480 -13.054 1.00 11.72 H new ATOM 0 HB3 ASN B 62 15.629 13.510 -11.312 1.00 11.72 H new ATOM 0 HD21 ASN B 62 18.389 10.898 -12.990 1.00 12.60 H new ATOM 0 HD22 ASN B 62 17.204 11.715 -14.014 1.00 12.60 H new ATOM 1960 N LEU B 63 14.874 11.448 -14.560 1.00 11.67 N ATOM 1961 CA LEU B 63 15.159 10.593 -15.733 1.00 12.09 C ATOM 1962 C LEU B 63 16.413 11.248 -16.252 1.00 12.33 C ATOM 1963 O LEU B 63 16.590 12.367 -15.800 1.00 12.50 O ATOM 1964 CB LEU B 63 14.082 10.697 -16.823 1.00 12.49 C ATOM 1965 CG LEU B 63 12.668 10.222 -16.375 1.00 12.64 C ATOM 1966 CD1 LEU B 63 12.744 8.829 -15.721 1.00 12.78 C ATOM 1967 CD2 LEU B 63 11.977 11.230 -15.435 1.00 12.96 C ATOM 1968 OXT LEU B 63 17.095 10.620 -17.039 1.00 12.46 O ATOM 0 H LEU B 63 14.754 12.438 -14.773 1.00 11.67 H new ATOM 0 HA LEU B 63 15.219 9.535 -15.477 1.00 12.09 H new ATOM 0 HB2 LEU B 63 14.016 11.733 -17.154 1.00 12.49 H new ATOM 0 HB3 LEU B 63 14.395 10.106 -17.684 1.00 12.49 H new ATOM 0 HG LEU B 63 12.055 10.156 -17.274 1.00 12.64 H new ATOM 0 HD11 LEU B 63 11.746 8.516 -15.415 1.00 12.78 H new ATOM 0 HD12 LEU B 63 13.146 8.112 -16.437 1.00 12.78 H new ATOM 0 HD13 LEU B 63 13.394 8.872 -14.847 1.00 12.78 H new ATOM 0 HD21 LEU B 63 10.995 10.850 -15.153 1.00 12.96 H new ATOM 0 HD22 LEU B 63 12.584 11.368 -14.540 1.00 12.96 H new ATOM 0 HD23 LEU B 63 11.863 12.186 -15.947 1.00 12.96 H new TER 1980 LEU B 63